| 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 | 45.9 | Very low | 83.3 | Confident | 176 Ų | 176 | 38.3 Ų | 38.3 | 87% | 0.867 | 21% | 0.206 | S | C | * | . | 0 | 142.9 | 0 | -73.9 | -160.6 | -106.5 | 0 | 0 | 108 | E3 | M1-E3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 54.8 | Low | 84.6 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | trans | -50.4 | 130.5 | 158 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | A4 S366 | S2-A4 PolarHBondContact O-N 3.12Å; S2-A4 VanDerWaalsContact O-N 3.07Å; S2-S366 WeakPolarHBondContact CB-O 3.49Å | ||
| 3 | E | 70 | Confident | 85.7 | Confident | 108 Ų | 108 | 33.3 Ų | 33.3 | 51% | 0.505 | 18% | 0.183 | S | C | . | . | trans | -55.6 | 116 | 173.5 | -78.1 | 170 | 140.8 | 0 | 0 | 109.5 | M1 I5 R367 R368 | M1-E3 PolarHBondContact O-N 3.36Å; E3-I5 HydrophobicContact CB-CD1 4.5Å; E3-I5 HydrophobicContact CB-CG1 4.45Å; E3-R367 HydrophobicContact CB-CG 4.42Å; E3-R367 IonicContact OE2-CZ 2.81Å; E3-R367 IonicContact OE2-NE 2.74Å; E3-R367 PolarHBondContact OE2-NE 3.17Å; E3-R367 IonicContact OE2-NH2 3.12Å; E3-R367 PolarHBondContact OE2-NH2 2.86Å; E3-R368 PolarHBondContact O-N 2.98Å; E3-R368 VanDerWaalsContact O-N 3.1Å | ||
| 4 | A | 81.1 | Confident | 86.6 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 28% | 0.281 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | S2 F6 L335 R368 F370 | S2-A4 PolarHBondContact O-N 3.12Å; S2-A4 VanDerWaalsContact O-N 3.07Å; A4-F6 HydrophobicContact CB-CE2 4.13Å; A4-L335 HydrophobicContact CB-CD2 4.21Å; A4-R368 WeakPolarHBondContact CA-O 3.28Å; A4-F370 HydrophobicContact CB-CD2 4.29Å; A4-F370 HydrophobicContact CB-CE2 3.77Å |
| 5 | I | 89.7 | Confident | 87.4 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.4 | -174.4 | -61.4 | 164.9 | 0 | 0 | 0 | 108.7 | E3 I33 R368 Y369 F370 | E3-I5 HydrophobicContact CB-CD1 4.5Å; E3-I5 HydrophobicContact CB-CG1 4.45Å; I5-I33 HydrophobicContact CG2-CD1 3.57Å; I5-R368 PolarHBondContact N-O 2.79Å; I5-Y369 HydrophobicContact CB-CD1 3.76Å; I5-Y369 HydrophobicContact CB-CE1 3.85Å; I5-Y369 HydrophobicContact CB-CG 4.42Å; I5-Y369 HydrophobicContact CD1-CD1 4.22Å; I5-Y369 HydrophobicContact CD1-CE1 3.46Å; I5-Y369 VanDerWaalsContact CD1-CE1 3.46Å; I5-Y369 HydrophobicContact CD1-CE2 4.31Å; I5-Y369 HydrophobicContact CG1-CE1 4.25Å; I5-Y369 HydrophobicContact CG2-CD1 3.8Å; I5-Y369 HydrophobicContact CG2-CE1 3.81Å; I5-Y369 CarbonylContact O-C 3.46Å; I5-Y369 WeakPolarHBondContact O-CA 3.21Å; I5-F370 PolarHBondContact O-N 3.02Å |
| 6 | F | 90.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.3 | -174.5 | -67.9 | -93.7 | 0 | 0 | 0 | 111.9 | A4 K31 I320 I323 H324 A327 L335 L344 F370 | A4-F6 HydrophobicContact CB-CE2 4.13Å; F6-K31 WeakPolarHBondContact O-CE 3.46Å; F6-K31 PolarHBondContact O-NZ 3.43Å; F6-I320 HydrophobicContact CB-CG2 3.73Å; F6-I323 HydrophobicContact CD1-CG2 3.81Å; F6-I323 HydrophobicContact CE1-CG2 3.64Å; F6-I323 HydrophobicContact CG-CG2 4.35Å; F6-I323 HydrophobicContact CZ-CG2 4.01Å; F6-H324 HydrophobicContact CB-CB 4.21Å; F6-A327 HydrophobicContact CE2-CB 3.81Å; F6-A327 HydrophobicContact CZ-CB 4.33Å; F6-L335 HydrophobicContact CE2-CD1 4.36Å; F6-L335 HydrophobicContact CZ-CD1 3.81Å; F6-L344 HydrophobicContact CD1-CD1 4.49Å; F6-L344 HydrophobicContact CE1-CD1 4.36Å; F6-F370 WeakPolarHBondContact CA-O 3.21Å; F6-F370 HydrophobicContact CD1-CB 3.49Å; F6-F370 VanDerWaalsContact CD1-CB 3.49Å; F6-F370 HydrophobicContact CD1-CD2 4.36Å; F6-F370 HydrophobicContact CD1-CG 4.15Å; F6-F370 HydrophobicContact CE1-CB 3.59Å; F6-F370 AromaticContact CE1-CD2 3.95Å; F6-F370 HydrophobicContact CE1-CD2 3.95Å; F6-F370 AromaticContact CE1-CG 3.78Å; F6-F370 HydrophobicContact CE1-CG 3.78Å; F6-F370 HydrophobicContact CE2-CD2 4.3Å; F6-F370 HydrophobicContact CG-CB 4.23Å; F6-F370 HydrophobicContact CZ-CB 4.41Å; F6-F370 AromaticContact CZ-CD2 3.92Å; F6-F370 HydrophobicContact CZ-CD2 3.92Å; F6-F370 HydrophobicContact CZ-CE2 4.48Å; F6-F370 HydrophobicContact CZ-CG 4.2Å |
| 7 | C | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 160.7 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | V9 K31 I33 I320 F370 A371 | C7-V9 PolarHBondContact SG-O 3.26Å; C7-K31 HydrophobicContact CB-CD 4.38Å; C7-K31 HydrophobicContact CB-CG 4.05Å; C7-K31 WeakPolarHBondContact CB-O 3.43Å; C7-I33 HydrophobicContact CB-CB 4.46Å; C7-I33 HydrophobicContact CB-CD1 3.78Å; C7-I33 HydrophobicContact CB-CG1 3.87Å; C7-I320 WeakPolarHBondContact O-CD1 3.4Å; C7-F370 PolarHBondContact N-O 2.82Å; C7-A371 WeakPolarHBondContact O-CA 3.44Å; C7-A371 WeakPolarHBondContact O-CB 3.33Å |
| 8 | D | 94.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 25.7 Ų | 25.7 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -45.8 | 177 | -65.3 | -61.6 | 0 | 0 | 0 | 111.3 | L30 K31 I320 R372 F373 | D8-L30 HydrophobicContact CB-CB 4.19Å; D8-L30 HydrophobicContact CB-CD2 4.28Å; D8-K31 PolarHBondContact N-O 2.92Å; D8-K31 WeakPolarHBondContact OD2-CB 3.44Å; D8-K31 PolarHBondContact OD2-N 2.86Å; D8-I320 VanDerWaalsContact CA-CD1 3.44Å; D8-I320 HydrophobicContact CB-CD1 4.35Å; D8-I320 WeakPolarHBondContact OD1-CD1 3.43Å; D8-R372 PolarHBondContact O-N 2.91Å; D8-F373 PolarHBondContact O-N 2.98Å |
| 9 | V | 98 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.3 | -177.3 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | C7 I11 L25 L30 K31 T32 I33 F373 I375 V578 | C7-V9 PolarHBondContact SG-O 3.26Å; V9-I11 HydrophobicContact CG1-CG1 4.13Å; V9-L25 HydrophobicContact CB-CD1 4.14Å; V9-L25 HydrophobicContact CG1-CD1 3.8Å; V9-L25 HydrophobicContact CG2-CD1 4.09Å; V9-L25 HydrophobicContact CG2-CD2 4.5Å; V9-L30 HydrophobicContact CG2-CD1 4.37Å; V9-K31 PolarHBondContact N-O 3.13Å; V9-T32 HydrophobicContact CB-CG2 4.22Å; V9-T32 WeakPolarHBondContact O-CA 2.86Å; V9-I33 PolarHBondContact O-N 3.38Å; V9-F373 WeakPolarHBondContact CA-O 3.24Å; V9-F373 HydrophobicContact CG1-CB 4.35Å; V9-F373 HydrophobicContact CG2-CB 4.42Å; V9-F373 HydrophobicContact CG2-CD2 4.44Å; V9-I375 HydrophobicContact CG1-CD1 4.04Å; V9-I375 HydrophobicContact CG1-CG1 4Å; V9-V578 HydrophobicContact CG2-CG1 3.86Å |
| 10 | L | 98.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.3 | 170.6 | -170.1 | 69 | 0 | 0 | 0 | 109.8 | L12 I33 L35 V347 Y369 A371 F373 C374 I375 | L10-L12 HydrophobicContact CD2-CD2 4.2Å; L10-L12 HydrophobicContact CG-CD2 4.25Å; L10-I33 HydrophobicContact CD1-CB 4.08Å; L10-I33 HydrophobicContact CD1-CG2 4.13Å; L10-L35 HydrophobicContact CD1-CD1 3.95Å; L10-L35 HydrophobicContact CD1-CD2 4.29Å; L10-L35 HydrophobicContact CD1-CG 3.82Å; L10-L35 HydrophobicContact CD2-CD1 4.08Å; L10-L35 HydrophobicContact CG-CD1 4.26Å; L10-L35 HydrophobicContact CG-CG 4.45Å; L10-V347 HydrophobicContact CD2-CB 3.69Å; L10-V347 HydrophobicContact CD2-CG1 4.44Å; L10-V347 HydrophobicContact CD2-CG2 3.44Å; L10-V347 VanDerWaalsContact CD2-CG2 3.44Å; L10-Y369 HydrophobicContact CD1-CD1 3.98Å; L10-Y369 HydrophobicContact CD1-CG 4.13Å; L10-A371 HydrophobicContact CB-CB 3.67Å; L10-F373 PolarHBondContact N-O 3.21Å; L10-C374 CarbonylContact O-C 3.58Å; L10-C374 WeakPolarHBondContact O-CA 3.18Å; L10-I375 PolarHBondContact O-N 3.14Å |
| 11 | I | 98.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.4 | -179.8 | -58.6 | 176.3 | 0 | 0 | 0 | 109.2 | V9 A21 A22 L25 T32 I33 V34 L35 I375 T377 | V9-I11 HydrophobicContact CG1-CG1 4.13Å; I11-A21 HydrophobicContact CD1-CB 4Å; I11-A22 VanDerWaalsContact CD1-CA 3.48Å; I11-A22 HydrophobicContact CD1-CB 3.57Å; I11-L25 HydrophobicContact CD1-CD1 4.3Å; I11-T32 HydrophobicContact CD1-CG2 3.64Å; I11-T32 HydrophobicContact CG1-CG2 4.19Å; I11-I33 PolarHBondContact N-O 2.78Å; I11-V34 HydrophobicContact CB-CG1 4.42Å; I11-V34 HydrophobicContact CB-CG2 4.17Å; I11-V34 HydrophobicContact CD1-CG2 4.43Å; I11-V34 HydrophobicContact CG2-CG1 4.35Å; I11-V34 CarbonylContact O-C 3.57Å; I11-V34 WeakPolarHBondContact O-CA 3.31Å; I11-L35 PolarHBondContact O-N 3.15Å; I11-I375 CarbonylContact C-O 3.55Å; I11-I375 WeakPolarHBondContact CA-O 3.36Å; I11-I375 HydrophobicContact CG1-CB 4.18Å; I11-I375 HydrophobicContact CG1-CD1 4.45Å; I11-I375 HydrophobicContact CG1-CG1 4.48Å; I11-T377 HydrophobicContact CG2-CG2 4.27Å |
| 12 | L | 98.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.7 | 177.6 | -50.8 | -172.2 | 0 | 0 | 0 | 109.8 | L10 L35 A300 V303 V347 I375 I376 T377 V378 | L10-L12 HydrophobicContact CD2-CD2 4.2Å; L10-L12 HydrophobicContact CG-CD2 4.25Å; L12-L35 HydrophobicContact CD2-CB 4.22Å; L12-L35 HydrophobicContact CD2-CD1 3.79Å; L12-L35 HydrophobicContact CD2-CG 4.3Å; L12-A300 HydrophobicContact CD1-CB 4.06Å; L12-A300 HydrophobicContact CD2-CB 4.18Å; L12-V303 HydrophobicContact CD1-CG2 4.13Å; L12-V347 HydrophobicContact CD2-CG1 4.24Å; L12-I375 PolarHBondContact N-O 3.1Å; L12-I376 HydrophobicContact CD1-CG1 4.25Å; L12-T377 CarbonylContact O-C 3.02Å; L12-T377 WeakPolarHBondContact O-CA 3.49Å; L12-T377 PolarHBondContact O-N 2.99Å; L12-T377 PolarHBondContact O-OG1 3.14Å; L12-V378 HydrophobicContact CB-CG1 4.08Å; L12-V378 PolarHBondContact O-N 3.34Å |
| 13 | G | 98.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 12.3 Ų | 12.3 | 10% | 0.103 | 7% | 0.072 | C | C | . | . | trans | 99.8 | 124.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G15 L35 T377 | G13-G15 PolarHBondContact O-N 3.14Å; G13-L35 WeakPolarHBondContact CA-O 3.3Å; G13-L35 PolarHBondContact N-O 3.48Å; G13-T377 PolarHBondContact O-OG1 3.28Å | ||
| 14 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -91.6 | 39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L19 V34 E36 S41 G42 I294 | A14-L19 HydrophobicContact CB-CD2 4.06Å; A14-L19 HydrophobicContact CB-CG 4.35Å; A14-L19 WeakPolarHBondContact O-CD1 3.02Å; A14-V34 HydrophobicContact CB-CG1 3.82Å; A14-E36 HydrophobicContact CB-CB 3.74Å; A14-E36 HydrophobicContact CB-CG 3.92Å; A14-E36 PolarHBondContact N-OE2 3.37Å; A14-S41 WeakPolarHBondContact CB-OG 3.35Å; A14-G42 WeakPolarHBondContact O-CA 3.27Å; A14-G42 PolarHBondContact O-N 3.17Å; A14-I294 HydrophobicContact CB-CG2 4.21Å | ||
| 15 | G | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 5.5 Ų | 5.5 | 13% | 0.134 | 3% | 0.034 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 175.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G13 S17 G18 L19 | G13-G15 PolarHBondContact O-N 3.14Å; G15-S17 VanDerWaalsContact C-N 3.26Å; G15-S17 PolarHBondContact O-N 2.91Å; G15-G18 PolarHBondContact O-N 2.86Å; G15-G18 VanDerWaalsContact O-N 3.15Å; G15-L19 WeakPolarHBondContact O-CB 3.17Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 3.43Å |
| 16 | I | 98.4 | Very high | 97.8 | Very high | 11 Ų | 11 | 6.1 Ų | 6.1 | 6% | 0.056 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -58.2 | -35 | -178.2 | -163.8 | 168.9 | 0 | 0 | 0 | 113.7 | A20 I45 L82 L288 A567 F568 | I16-A20 WeakPolarHBondContact O-CB 3.42Å; I16-A20 PolarHBondContact O-N 3.17Å; I16-I45 HydrophobicContact CB-CD1 3.75Å; I16-I45 HydrophobicContact CD1-CD1 3.76Å; I16-I45 HydrophobicContact CG1-CD1 4.23Å; I16-I45 HydrophobicContact CG2-CD1 4.17Å; I16-L82 HydrophobicContact CD1-CD1 3.81Å; I16-L82 HydrophobicContact CD1-CD2 3.88Å; I16-L288 HydrophobicContact CG1-CD1 3.81Å; I16-A567 HydrophobicContact CG2-CB 3.56Å; I16-F568 HydrophobicContact CD1-CB 4.28Å; I16-F568 HydrophobicContact CG1-CB 4.25Å; I16-F568 HydrophobicContact CG1-CD2 4.25Å |
| 17 | S | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 9.6 Ų | 9.6 | 4% | 0.042 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66 | -49.8 | 175.1 | 43.3 | 0 | 0 | 0 | 0 | 111.6 | G15 A20 A21 A567 G571 | G15-S17 VanDerWaalsContact C-N 3.26Å; G15-S17 PolarHBondContact O-N 2.91Å; S17-A20 PolarHBondContact O-N 2.84Å; S17-A21 PolarHBondContact O-N 2.94Å; S17-A21 VanDerWaalsContact O-N 3.07Å; S17-A567 WeakPolarHBondContact CA-O 3.5Å; S17-A567 VanDerWaalsContact CB-O 3.23Å; S17-A567 WeakPolarHBondContact CB-O 3.49Å; S17-G571 WeakPolarHBondContact O-CA 3.1Å |
| 18 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G15 A21 A22 | G15-G18 PolarHBondContact O-N 2.86Å; G15-G18 VanDerWaalsContact O-N 3.15Å; G18-A21 PolarHBondContact O-N 3.42Å; G18-A22 VanDerWaalsContact O-CB 3.3Å; G18-A22 WeakPolarHBondContact O-CB 3.5Å; G18-A22 PolarHBondContact O-N 3.41Å |
| 19 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | 178.8 | -65.3 | 174.9 | 0 | 0 | 0 | 113 | A14 G15 A22 K23 V285 L288 A289 I294 | A14-L19 HydrophobicContact CB-CD2 4.06Å; A14-L19 HydrophobicContact CB-CG 4.35Å; A14-L19 WeakPolarHBondContact O-CD1 3.02Å; G15-L19 WeakPolarHBondContact O-CB 3.17Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 3.43Å; L19-A22 PolarHBondContact O-N 2.97Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 3.27Å; L19-V285 HydrophobicContact CD1-CB 4.46Å; L19-V285 HydrophobicContact CD1-CG1 3.7Å; L19-L288 HydrophobicContact CB-CB 3.69Å; L19-L288 HydrophobicContact CB-CD1 4.46Å; L19-L288 HydrophobicContact CD1-CB 4.44Å; L19-A289 HydrophobicContact CD1-CB 4.33Å; L19-A289 HydrophobicContact CD2-CB 4.08Å; L19-I294 HydrophobicContact CD2-CD1 3.67Å |
| 20 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I16 S17 L24 F568 V572 | I16-A20 WeakPolarHBondContact O-CB 3.42Å; I16-A20 PolarHBondContact O-N 3.17Å; S17-A20 PolarHBondContact O-N 2.84Å; A20-L24 WeakPolarHBondContact O-CB 2.88Å; A20-L24 PolarHBondContact O-N 3.49Å; A20-F568 HydrophobicContact CB-CD2 3.53Å; A20-F568 HydrophobicContact CB-CE2 3.63Å; A20-F568 HydrophobicContact CB-CG 4.23Å; A20-F568 HydrophobicContact CB-CZ 4.41Å; A20-V572 HydrophobicContact CB-CG2 4.17Å |
| 21 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -48.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I11 S17 G18 K23 L24 L25 I375 G571 A575 | I11-A21 HydrophobicContact CD1-CB 4Å; S17-A21 PolarHBondContact O-N 2.94Å; S17-A21 VanDerWaalsContact O-N 3.07Å; G18-A21 PolarHBondContact O-N 3.42Å; A21-K23 PolarHBondContact O-N 3.36Å; A21-L24 PolarHBondContact O-N 2.8Å; A21-L25 WeakPolarHBondContact O-CD1 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.28Å; A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 3.16Å; A21-I375 HydrophobicContact CB-CD1 4.03Å; A21-G571 WeakPolarHBondContact CB-O 3.36Å; A21-A575 HydrophobicContact CB-CB 4.07Å |
| 22 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I11 G18 L19 L24 L25 T26 T32 V34 V292 | I11-A22 VanDerWaalsContact CD1-CA 3.48Å; I11-A22 HydrophobicContact CD1-CB 3.57Å; G18-A22 VanDerWaalsContact O-CB 3.3Å; G18-A22 WeakPolarHBondContact O-CB 3.5Å; G18-A22 PolarHBondContact O-N 3.41Å; L19-A22 PolarHBondContact O-N 2.97Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.02Å; A22-L25 PolarHBondContact O-N 3.19Å; A22-T26 VanDerWaalsContact O-CB 3.26Å; A22-T26 WeakPolarHBondContact O-CB 3.22Å; A22-T26 PolarHBondContact O-N 3.08Å; A22-T26 PolarHBondContact O-OG1 2.69Å; A22-T32 HydrophobicContact CB-CG2 4.26Å; A22-V34 HydrophobicContact CB-CG2 3.49Å; A22-V34 VanDerWaalsContact CB-CG2 3.49Å; A22-V292 HydrophobicContact CB-CG1 3.55Å; A22-V292 HydrophobicContact CB-CG2 4.11Å |
| 23 | K | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 7% | 0.065 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 178.5 | -169.8 | 178.1 | -164.8 | 70.9 | 0 | 111.5 | L19 A21 N27 F287 L288 S290 V292 L598 | L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 PolarHBondContact O-N 3.27Å; A21-K23 PolarHBondContact O-N 3.36Å; K23-N27 VanDerWaalsContact O-CB 3.31Å; K23-N27 WeakPolarHBondContact O-CB 3.49Å; K23-N27 PolarHBondContact O-N 3.14Å; K23-N27 PolarHBondContact O-OD1 2.8Å; K23-F287 HydrophobicContact CD-CE1 4.08Å; K23-F287 HydrophobicContact CD-CZ 4.33Å; K23-F287 PolarHBondContact NZ-O 3.25Å; K23-L288 HydrophobicContact CD-CD2 3.86Å; K23-S290 PolarHBondContact NZ-O 2.84Å; K23-V292 HydrophobicContact CB-CG2 4.32Å; K23-L598 HydrophobicContact CD-CD2 4.12Å; K23-L598 HydrophobicContact CG-CD2 4.09Å |
| 24 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | -179.8 | -174.9 | 58.2 | 0 | 0 | 0 | 111.9 | A20 A21 A22 N27 E28 V572 A575 L576 L589 I594 Y597 L598 | A20-L24 WeakPolarHBondContact O-CB 2.88Å; A20-L24 PolarHBondContact O-N 3.49Å; A21-L24 PolarHBondContact O-N 2.8Å; A22-L24 VanDerWaalsContact C-N 3.33Å; A22-L24 PolarHBondContact O-N 3.02Å; L24-N27 PolarHBondContact O-N 3.44Å; L24-E28 PolarHBondContact O-N 3.45Å; L24-V572 HydrophobicContact CD2-CG1 4.18Å; L24-A575 HydrophobicContact CB-CB 4.19Å; L24-A575 HydrophobicContact CD2-CB 3.81Å; L24-A575 HydrophobicContact CG-CB 4.28Å; L24-L576 HydrophobicContact CD2-CD2 4.02Å; L24-L576 HydrophobicContact CD2-CG 4.09Å; L24-L589 HydrophobicContact CD1-CD1 3.59Å; L24-L589 HydrophobicContact CG-CD1 4.41Å; L24-I594 HydrophobicContact CD1-CD1 3.69Å; L24-I594 HydrophobicContact CD2-CD1 3.99Å; L24-Y597 HydrophobicContact CD1-CD1 3.94Å; L24-Y597 HydrophobicContact CD1-CE1 3.5Å; L24-Y597 VanDerWaalsContact CD1-CE1 3.5Å; L24-L598 HydrophobicContact CB-CD2 4.44Å; L24-L598 HydrophobicContact CD1-CD2 4.19Å |
| 25 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | -179.1 | -66.6 | 163.8 | 0 | 0 | 0 | 112 | V9 I11 A21 A22 E28 G29 L30 T32 I375 A575 V578 L579 | V9-L25 HydrophobicContact CB-CD1 4.14Å; V9-L25 HydrophobicContact CG1-CD1 3.8Å; V9-L25 HydrophobicContact CG2-CD1 4.09Å; V9-L25 HydrophobicContact CG2-CD2 4.5Å; I11-L25 HydrophobicContact CD1-CD1 4.3Å; A21-L25 WeakPolarHBondContact O-CD1 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.28Å; A21-L25 WeakPolarHBondContact O-CG 3.43Å; A21-L25 PolarHBondContact O-N 3.16Å; A22-L25 PolarHBondContact O-N 3.19Å; L25-E28 CarbonylContact O-C 3.13Å; L25-E28 PolarHBondContact O-N 2.95Å; L25-G29 PolarHBondContact O-N 3.17Å; L25-L30 HydrophobicContact CB-CD1 4.33Å; L25-L30 HydrophobicContact CD2-CD1 3.64Å; L25-L30 PolarHBondContact O-N 2.88Å; L25-L30 VanDerWaalsContact O-N 3.16Å; L25-T32 HydrophobicContact CB-CG2 4.38Å; L25-T32 WeakPolarHBondContact CB-OG1 3.31Å; L25-T32 HydrophobicContact CD1-CG2 4.42Å; L25-I375 HydrophobicContact CD1-CD1 3.87Å; L25-A575 HydrophobicContact CD1-CB 4.03Å; L25-A575 HydrophobicContact CD2-CB 3.99Å; L25-A575 HydrophobicContact CG-CB 3.71Å; L25-V578 HydrophobicContact CD2-CB 4.11Å; L25-V578 HydrophobicContact CD2-CG1 3.98Å; L25-L579 HydrophobicContact CD2-CD2 4.28Å; L25-L579 HydrophobicContact CD2-CG 4.04Å |
| 26 | T | 98.1 | Very high | 97.9 | Very high | 42 Ų | 42 | 17.9 Ų | 17.9 | 26% | 0.258 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 176 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | A22 E28 G29 | A22-T26 VanDerWaalsContact O-CB 3.26Å; A22-T26 WeakPolarHBondContact O-CB 3.22Å; A22-T26 PolarHBondContact O-N 3.08Å; A22-T26 PolarHBondContact O-OG1 2.69Å; T26-E28 PolarHBondContact O-N 3.07Å; T26-G29 PolarHBondContact O-N 3.48Å |
| 27 | N | 96.5 | Very high | 97.7 | Very high | 76 Ų | 76 | 18 Ų | 18 | 41% | 0.406 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -64.5 | -26.7 | 175.9 | -75.8 | 6.9 | 0 | 0 | 0 | 113.1 | K23 L24 G29 Y597 | K23-N27 VanDerWaalsContact O-CB 3.31Å; K23-N27 WeakPolarHBondContact O-CB 3.49Å; K23-N27 PolarHBondContact O-N 3.14Å; K23-N27 PolarHBondContact O-OD1 2.8Å; L24-N27 PolarHBondContact O-N 3.44Å; N27-G29 VanDerWaalsContact C-N 3.25Å; N27-Y597 HydrophobicContact CB-CE1 4.26Å; N27-Y597 WeakPolarHBondContact CB-OH 3.42Å |
| 28 | E | 96 | Very high | 97.5 | Very high | 44 Ų | 44 | 18.9 Ų | 18.9 | 21% | 0.206 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 11.1 | 172.6 | -67.7 | -64.4 | 121.5 | 0 | 0 | 113 | L24 L25 T26 L579 R588 L589 Y597 | L24-E28 PolarHBondContact O-N 3.45Å; L25-E28 CarbonylContact O-C 3.13Å; L25-E28 PolarHBondContact O-N 2.95Å; T26-E28 PolarHBondContact O-N 3.07Å; E28-L579 HydrophobicContact CB-CD2 3.83Å; E28-L579 HydrophobicContact CG-CD1 3.96Å; E28-L579 HydrophobicContact CG-CD2 4.1Å; E28-R588 IonicContact OE1-CZ 3.08Å; E28-R588 IonicContact OE1-NH2 2.79Å; E28-R588 PolarHBondContact OE1-NH2 2.77Å; E28-R588 IonicContact OE2-CZ 2.9Å; E28-R588 IonicContact OE2-NE 2.73Å; E28-R588 IonicContact OE2-NH2 2.88Å; E28-R588 PolarHBondContact OE2-NH2 3.25Å; E28-L589 HydrophobicContact CG-CD1 3.71Å; E28-Y597 VanDerWaalsContact OE1-CZ 3.28Å; E28-Y597 PolarHBondContact OE1-OH 2.84Å |
| 29 | G | 94.5 | Very high | 97.3 | Very high | 67 Ų | 67 | 22.7 Ų | 22.7 | 69% | 0.691 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 9.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L25 T26 N27 | L25-G29 PolarHBondContact O-N 3.17Å; T26-G29 PolarHBondContact O-N 3.48Å; N27-G29 VanDerWaalsContact C-N 3.25Å |
| 30 | L | 95.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 25.2 Ų | 25.2 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | trans | -80.7 | 136.4 | 176.7 | -62.9 | 174 | 0 | 0 | 0 | 110.9 | D8 V9 L25 T32 V578 L579 I582 | D8-L30 HydrophobicContact CB-CB 4.19Å; D8-L30 HydrophobicContact CB-CD2 4.28Å; V9-L30 HydrophobicContact CG2-CD1 4.37Å; L25-L30 HydrophobicContact CB-CD1 4.33Å; L25-L30 HydrophobicContact CD2-CD1 3.64Å; L25-L30 PolarHBondContact O-N 2.88Å; L25-L30 VanDerWaalsContact O-N 3.16Å; L30-T32 PolarHBondContact O-N 2.68Å; L30-T32 PolarHBondContact O-OG1 3Å; L30-T32 VanDerWaalsContact O-OG1 3.1Å; L30-V578 HydrophobicContact CD1-CG1 4.43Å; L30-L579 HydrophobicContact CD1-CD2 3.89Å; L30-I582 HydrophobicContact CD1-CD1 3.73Å; L30-I582 HydrophobicContact CD2-CD1 3.75Å; L30-I582 HydrophobicContact CG-CD1 4.42Å | ||
| 31 | K | 95.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 26.1 Ų | 26.1 | 29% | 0.287 | 16% | 0.156 | S | C | . | . | trans | -67.8 | 100.3 | 172.2 | -172.7 | 177.1 | -177.4 | -171.3 | 0 | 108.3 | F6 C7 D8 V9 | F6-K31 WeakPolarHBondContact O-CE 3.46Å; F6-K31 PolarHBondContact O-NZ 3.43Å; C7-K31 HydrophobicContact CB-CD 4.38Å; C7-K31 HydrophobicContact CB-CG 4.05Å; C7-K31 WeakPolarHBondContact CB-O 3.43Å; D8-K31 PolarHBondContact N-O 2.92Å; D8-K31 WeakPolarHBondContact OD2-CB 3.44Å; D8-K31 PolarHBondContact OD2-N 2.86Å; V9-K31 PolarHBondContact N-O 3.13Å | ||
| 32 | T | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.1 | -173.7 | -54.9 | 0 | 0 | 0 | 0 | 110 | V9 I11 A22 L25 L30 | V9-T32 HydrophobicContact CB-CG2 4.22Å; V9-T32 WeakPolarHBondContact O-CA 2.86Å; I11-T32 HydrophobicContact CD1-CG2 3.64Å; I11-T32 HydrophobicContact CG1-CG2 4.19Å; A22-T32 HydrophobicContact CB-CG2 4.26Å; L25-T32 HydrophobicContact CB-CG2 4.38Å; L25-T32 WeakPolarHBondContact CB-OG1 3.31Å; L25-T32 HydrophobicContact CD1-CG2 4.42Å; L30-T32 PolarHBondContact O-N 2.68Å; L30-T32 PolarHBondContact O-OG1 3Å; L30-T32 VanDerWaalsContact O-OG1 3.1Å |
| 33 | I | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.9 | 178 | -61.8 | 178.1 | 0 | 0 | 0 | 109.1 | I5 C7 V9 L10 I11 L35 Y369 | I5-I33 HydrophobicContact CG2-CD1 3.57Å; C7-I33 HydrophobicContact CB-CB 4.46Å; C7-I33 HydrophobicContact CB-CD1 3.78Å; C7-I33 HydrophobicContact CB-CG1 3.87Å; V9-I33 PolarHBondContact O-N 3.38Å; L10-I33 HydrophobicContact CD1-CB 4.08Å; L10-I33 HydrophobicContact CD1-CG2 4.13Å; I11-I33 PolarHBondContact N-O 2.78Å; I33-L35 HydrophobicContact CG2-CD2 4.14Å; I33-Y369 HydrophobicContact CD1-CD1 4.46Å; I33-Y369 HydrophobicContact CD1-CE1 4.5Å; I33-Y369 HydrophobicContact CG2-CD1 4.36Å; I33-Y369 HydrophobicContact CG2-CE1 4.13Å |
| 34 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.3 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 110 | I11 A14 A22 V292 D293 I294 H295 | I11-V34 HydrophobicContact CB-CG1 4.42Å; I11-V34 HydrophobicContact CB-CG2 4.17Å; I11-V34 HydrophobicContact CD1-CG2 4.43Å; I11-V34 HydrophobicContact CG2-CG1 4.35Å; I11-V34 CarbonylContact O-C 3.57Å; I11-V34 WeakPolarHBondContact O-CA 3.31Å; A14-V34 HydrophobicContact CB-CG1 3.82Å; A22-V34 HydrophobicContact CB-CG2 3.49Å; A22-V34 VanDerWaalsContact CB-CG2 3.49Å; V34-V292 HydrophobicContact CG2-CG1 3.57Å; V34-D293 PolarHBondContact N-O 3.48Å; V34-I294 HydrophobicContact CB-CB 4.47Å; V34-I294 HydrophobicContact CB-CG1 4.14Å; V34-I294 HydrophobicContact CB-CG2 4.28Å; V34-I294 HydrophobicContact CG1-CG2 4.46Å; V34-I294 HydrophobicContact CG2-CG1 4.41Å; V34-I294 CarbonylContact O-C 3.54Å; V34-I294 WeakPolarHBondContact O-CA 3.12Å; V34-H295 PolarHBondContact O-N 3.44Å |
| 35 | L | 98.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 119.8 | 172 | -57.1 | -177.4 | 0 | 0 | 0 | 109.8 | L10 I11 L12 G13 I33 H295 C298 V347 V349 Y369 | L10-L35 HydrophobicContact CD1-CD1 3.95Å; L10-L35 HydrophobicContact CD1-CD2 4.29Å; L10-L35 HydrophobicContact CD1-CG 3.82Å; L10-L35 HydrophobicContact CD2-CD1 4.08Å; L10-L35 HydrophobicContact CG-CD1 4.26Å; L10-L35 HydrophobicContact CG-CG 4.45Å; I11-L35 PolarHBondContact O-N 3.15Å; L12-L35 HydrophobicContact CD2-CB 4.22Å; L12-L35 HydrophobicContact CD2-CD1 3.79Å; L12-L35 HydrophobicContact CD2-CG 4.3Å; G13-L35 WeakPolarHBondContact CA-O 3.3Å; G13-L35 PolarHBondContact N-O 3.48Å; I33-L35 HydrophobicContact CG2-CD2 4.14Å; L35-H295 HydrophobicContact CD2-CB 3.96Å; L35-C298 HydrophobicContact CB-CB 4.37Å; L35-C298 HydrophobicContact CD2-CB 4.31Å; L35-V347 HydrophobicContact CD1-CG1 4.28Å; L35-V349 HydrophobicContact CD1-CG2 3.58Å; L35-Y369 HydrophobicContact CD1-CD2 3.99Å; L35-Y369 HydrophobicContact CD1-CE2 4.32Å; L35-Y369 HydrophobicContact CD1-CG 4.21Å; L35-Y369 HydrophobicContact CD2-CD1 4.08Å; L35-Y369 HydrophobicContact CD2-CD2 4.17Å; L35-Y369 HydrophobicContact CD2-CE1 3.72Å; L35-Y369 HydrophobicContact CD2-CE2 3.83Å; L35-Y369 HydrophobicContact CD2-CG 4.29Å |
| 36 | E | 97.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | trans | -118.1 | 125.4 | 177.8 | 176.3 | 47.6 | -128.7 | 0 | 0 | 110.7 | A14 R38 R40 I294 H295 Y296 R297 C298 | A14-E36 HydrophobicContact CB-CB 3.74Å; A14-E36 HydrophobicContact CB-CG 3.92Å; A14-E36 PolarHBondContact N-OE2 3.37Å; E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 HydrophobicContact CG-CB 4.39Å; E36-R38 PolarHBondContact O-N 3.23Å; E36-R38 VanDerWaalsContact OE1-CB 3.28Å; E36-R38 WeakPolarHBondContact OE1-CB 3.48Å; E36-R38 WeakPolarHBondContact OE1-CG 3.31Å; E36-R38 PolarHBondContact OE1-N 2.88Å; E36-R40 VanDerWaalsContact CG-O 3.32Å; E36-R40 WeakPolarHBondContact CG-O 3.27Å; E36-I294 HydrophobicContact CB-CG2 4.16Å; E36-H295 PolarHBondContact N-O 3.2Å; E36-Y296 HydrophobicContact CB-CD1 3.92Å; E36-Y296 HydrophobicContact CB-CE1 4.25Å; E36-Y296 HydrophobicContact CG-CD1 3.83Å; E36-Y296 HydrophobicContact CG-CE1 4.09Å; E36-Y296 CarbonylContact O-C 3.42Å; E36-Y296 VanDerWaalsContact O-C 3.3Å; E36-Y296 WeakPolarHBondContact O-CA 3.5Å; E36-R297 PolarHBondContact O-N 3.13Å; E36-C298 CarbonylContact C-O 3.58Å; E36-C298 PolarHBondContact O-N 2.94Å | ||
| 37 | A | 95.7 | Very high | 96.7 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -69.2 | -31.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R297 C298 V299 F515 | A37-R297 WeakPolarHBondContact O-CA 3.3Å; A37-C298 WeakPolarHBondContact CA-O 3.43Å; A37-C298 PolarHBondContact N-O 3.47Å; A37-V299 HydrophobicContact CB-CG2 4Å; A37-F515 HydrophobicContact CB-CD1 3.49Å; A37-F515 VanDerWaalsContact CB-CD1 3.49Å; A37-F515 HydrophobicContact CB-CE1 3.56Å; A37-F515 HydrophobicContact CB-CG 4.09Å; A37-F515 HydrophobicContact CB-CZ 4.19Å |
| 38 | R | 94.4 | Very high | 96.6 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -84.5 | 172 | 178.3 | -61.3 | -179.6 | 178 | 137.7 | 10.9 | 111.5 | E36 R40 G43 R297 D513 F515 S516 | E36-R38 VanDerWaalsContact C-N 3.33Å; E36-R38 HydrophobicContact CG-CB 4.39Å; E36-R38 PolarHBondContact O-N 3.23Å; E36-R38 VanDerWaalsContact OE1-CB 3.28Å; E36-R38 WeakPolarHBondContact OE1-CB 3.48Å; E36-R38 WeakPolarHBondContact OE1-CG 3.31Å; E36-R38 PolarHBondContact OE1-N 2.88Å; R38-R40 HydrophobicContact CB-CG 4.32Å; R38-R40 PolarHBondContact O-N 3.25Å; R38-G43 VanDerWaalsContact NH1-C 3.3Å; R38-G43 PolarHBondContact NH1-O 2.81Å; R38-R297 PolarHBondContact O-N 2.87Å; R38-D513 IonicContact CZ-OD2 3.71Å; R38-D513 VanDerWaalsContact NH2-CG 3.26Å; R38-D513 IonicContact NH2-OD1 2.76Å; R38-D513 PolarHBondContact NH2-OD1 3.01Å; R38-D513 VanDerWaalsContact NH2-OD1 3.15Å; R38-D513 IonicContact NH2-OD2 3.74Å; R38-D513 PolarHBondContact NH2-OD2 3.5Å; R38-F515 HydrophobicContact CG-CD2 4.23Å; R38-F515 VanDerWaalsContact NH2-C 3.27Å; R38-F515 PolarHBondContact NH2-O 2.89Å; R38-S516 PolarHBondContact NH2-OG 3.41Å |
| 39 | S | 94.3 | Very high | 96.5 | Very high | 81 Ų | 81 | 30.6 Ų | 30.6 | 57% | 0.566 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -79.6 | 4.7 | 167.5 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 40 | R | 95.5 | Very high | 96.4 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -142.5 | 149.9 | -177.4 | 66.1 | 165.4 | -174.6 | 77.3 | 1.3 | 111.7 | E36 R38 G43 H46 | E36-R40 VanDerWaalsContact CG-O 3.32Å; E36-R40 WeakPolarHBondContact CG-O 3.27Å; R38-R40 HydrophobicContact CB-CG 4.32Å; R38-R40 PolarHBondContact O-N 3.25Å; R40-G43 PolarHBondContact NH1-O 3.45Å; R40-G43 PolarHBondContact NH2-O 3.03Å; R40-H46 VanDerWaalsContact CZ-CG 3.45Å; R40-H46 PolarHBondContact NE-CD2 3.3Å; R40-H46 PolarHBondContact NE-CE1 3.3Å; R40-H46 PolarHBondContact NE-NE2 2.88Å; R40-H46 VanDerWaalsContact NE-NE2 3.11Å; R40-H46 PolarHBondContact NH2-CD2 3.1Å |
| 41 | S | 97.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78.7 | 173.1 | 169.4 | -75.1 | 0 | 0 | 0 | 0 | 112 | A14 Y296 | A14-S41 WeakPolarHBondContact CB-OG 3.35Å; S41-Y296 WeakPolarHBondContact OG-CE1 3.27Å; S41-Y296 PolarHBondContact OG-OH 2.86Å |
| 42 | G | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | 103.9 | -16.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A14 R44 I45 | A14-G42 WeakPolarHBondContact O-CA 3.27Å; A14-G42 PolarHBondContact O-N 3.17Å; G42-R44 PolarHBondContact O-N 2.96Å; G42-R44 VanDerWaalsContact O-N 3.11Å; G42-I45 CarbonylContact C-O 3.41Å; G42-I45 WeakPolarHBondContact CA-O 3.49Å; G42-I45 WeakPolarHBondContact O-CB 3.3Å; G42-I45 PolarHBondContact O-N 3Å |
| 43 | G | 96 | Very high | 94.4 | Very high | 13 Ų | 13 | 30.6 Ų | 30.6 | 13% | 0.134 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -117.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | R38 R40 I45 | R38-G43 VanDerWaalsContact NH1-C 3.3Å; R38-G43 PolarHBondContact NH1-O 2.81Å; R40-G43 PolarHBondContact NH1-O 3.45Å; R40-G43 PolarHBondContact NH2-O 3.03Å; G43-I45 VanDerWaalsContact C-N 3.34Å |
| 44 | R | 96.4 | Very high | 93.1 | Very high | 48 Ų | 48 | 34.4 Ų | 34.4 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -12.1 | 175.6 | -75.1 | 164 | -74.8 | 172.4 | -1.2 | 113.5 | G42 H46 G66 W510 A519 E552 | G42-R44 PolarHBondContact O-N 2.96Å; G42-R44 VanDerWaalsContact O-N 3.11Å; R44-H46 PolarHBondContact O-N 2.89Å; R44-G66 WeakPolarHBondContact O-CA 3.44Å; R44-W510 HydrophobicContact CB-CH2 4.48Å; R44-W510 HydrophobicContact CB-CZ3 4.42Å; R44-W510 HydrophobicContact CG-CD2 4.49Å; R44-W510 HydrophobicContact CG-CE3 3.96Å; R44-W510 HydrophobicContact CG-CH2 4.47Å; R44-W510 HydrophobicContact CG-CZ3 3.96Å; R44-A519 VanDerWaalsContact CD-O 3.23Å; R44-A519 WeakPolarHBondContact CD-O 3.38Å; R44-A519 PolarHBondContact NH1-O 2.98Å; R44-E552 IonicContact CZ-OE1 3.26Å; R44-E552 VanDerWaalsContact CZ-OE1 3.29Å; R44-E552 IonicContact CZ-OE2 2.67Å; R44-E552 IonicContact NH1-OE1 3.65Å; R44-E552 PolarHBondContact NH1-OE1 2.86Å; R44-E552 IonicContact NH1-OE2 3.64Å; R44-E552 IonicContact NH2-OE1 3.29Å; R44-E552 PolarHBondContact NH2-OE1 3.42Å; R44-E552 IonicContact NH2-OE2 3.01Å; R44-E552 PolarHBondContact NH2-OE2 3.28Å |
| 45 | I | 97.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | trans | -78.8 | 110.5 | 166.3 | -62.1 | 170.7 | 0 | 0 | 0 | 106.6 | I16 G42 G43 A67 F281 V285 T564 | I16-I45 HydrophobicContact CB-CD1 3.75Å; I16-I45 HydrophobicContact CD1-CD1 3.76Å; I16-I45 HydrophobicContact CG1-CD1 4.23Å; I16-I45 HydrophobicContact CG2-CD1 4.17Å; G42-I45 CarbonylContact C-O 3.41Å; G42-I45 WeakPolarHBondContact CA-O 3.49Å; G42-I45 WeakPolarHBondContact O-CB 3.3Å; G42-I45 PolarHBondContact O-N 3Å; G43-I45 VanDerWaalsContact C-N 3.34Å; I45-A67 HydrophobicContact CG1-CB 4.2Å; I45-F281 HydrophobicContact CD1-CD1 3.81Å; I45-F281 HydrophobicContact CD1-CE1 3.93Å; I45-F281 HydrophobicContact CG1-CD1 4.01Å; I45-F281 HydrophobicContact CG1-CE1 4.43Å; I45-F281 HydrophobicContact CG2-CB 3.94Å; I45-F281 HydrophobicContact CG2-CD1 3.77Å; I45-F281 HydrophobicContact CG2-CG 4.31Å; I45-F281 WeakPolarHBondContact CG2-O 3.33Å; I45-V285 HydrophobicContact CB-CG2 3.93Å; I45-V285 HydrophobicContact CD1-CG2 4.28Å; I45-V285 HydrophobicContact CG2-CG2 3.58Å; I45-T564 HydrophobicContact CD1-CG2 4.11Å; I45-T564 HydrophobicContact CG1-CG2 4.28Å | ||
| 46 | H | 97 | Very high | 89.8 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 21% | 0.213 | 26% | 0.26 | C | S | . | . | trans | -147.7 | 113 | -178.7 | -169.7 | 9.3 | 0 | 0 | 0 | 109.9 | R40 R44 L65 | R40-H46 VanDerWaalsContact CZ-CG 3.45Å; R40-H46 PolarHBondContact NE-CD2 3.3Å; R40-H46 PolarHBondContact NE-CE1 3.3Å; R40-H46 PolarHBondContact NE-NE2 2.88Å; R40-H46 VanDerWaalsContact NE-NE2 3.11Å; R40-H46 PolarHBondContact NH2-CD2 3.1Å; R44-H46 PolarHBondContact O-N 2.89Å; H46-L65 HydrophobicContact CB-CB 4.43Å; H46-L65 WeakPolarHBondContact O-CB 3.49Å; H46-L65 PolarHBondContact O-N 3.3Å | ||
| 47 | T | 97.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 140 | 170.6 | -48 | 0 | 0 | 0 | 0 | 108 | V62 V63 D64 F281 S282 | T47-V62 HydrophobicContact CG2-CB 3.56Å; T47-V62 HydrophobicContact CG2-CG1 4.19Å; T47-V62 HydrophobicContact CG2-CG2 3.81Å; T47-V63 WeakPolarHBondContact CA-O 3.41Å; T47-D64 WeakPolarHBondContact CB-OD1 3.35Å; T47-D64 PolarHBondContact OG1-OD1 3.1Å; T47-F281 PolarHBondContact OG1-N 2.88Å; T47-S282 WeakPolarHBondContact CB-OG 3.44Å; T47-S282 PolarHBondContact N-OG 3.49Å; T47-S282 VanDerWaalsContact OG1-CB 3.25Å; T47-S282 WeakPolarHBondContact OG1-CB 3.42Å; T47-S282 PolarHBondContact OG1-N 2.84Å; T47-S282 PolarHBondContact OG1-OG 3.34Å |
| 48 | V | 95.6 | Very high | 85.9 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.8 | 173.3 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | V62 V63 L65 | V48-V62 WeakPolarHBondContact O-CA 3.33Å; V48-V63 HydrophobicContact CG2-CG1 3.53Å; V48-V63 PolarHBondContact N-O 3.08Å; V48-V63 PolarHBondContact O-N 3.42Å; V48-L65 HydrophobicContact CG1-CD1 3.61Å; V48-L65 HydrophobicContact CG1-CG 4.09Å; V48-L65 HydrophobicContact CG2-CD1 4.22Å; V48-L65 HydrophobicContact CG2-CD2 3.88Å; V48-L65 HydrophobicContact CG2-CG 4.01Å |
| 49 | D | 93.6 | Very high | 84.4 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.5 | 170.8 | -67.8 | -26.9 | 0 | 0 | 0 | 109.4 | V62 | D49-V62 WeakPolarHBondContact OD1-CG1 3.18Å |
| 50 | L | 91.9 | Very high | 83.2 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 150.5 | 169.1 | -70.2 | 172.5 | 0 | 0 | 0 | 110 | S61 V63 I423 M425 V460 Y504 | L50-S61 PolarHBondContact N-O 3.01Å; L50-V63 HydrophobicContact CD1-CB 4.19Å; L50-V63 HydrophobicContact CD1-CG1 4.48Å; L50-V63 HydrophobicContact CD2-CB 4.29Å; L50-V63 HydrophobicContact CD2-CG1 3.71Å; L50-V63 HydrophobicContact CG-CB 4.23Å; L50-V63 HydrophobicContact CG-CG1 4.02Å; L50-I423 HydrophobicContact CD2-CG2 4.5Å; L50-M425 HydrophobicContact CB-SD 3.99Å; L50-M425 HydrophobicContact CD1-SD 4.4Å; L50-M425 HydrophobicContact CD2-SD 4.24Å; L50-M425 HydrophobicContact CG-SD 4.46Å; L50-V460 HydrophobicContact CD1-CG1 4.19Å; L50-V460 HydrophobicContact CD1-CG2 3.59Å; L50-Y504 HydrophobicContact CD2-CD1 3.81Å; L50-Y504 HydrophobicContact CD2-CE1 3.77Å |
| 51 | P | 88.4 | Confident | 82.8 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 140.9 | 174.1 | 25.3 | -31.6 | 0 | 0 | 0 | 110.8 | M425 Y504 | P51-M425 HydrophobicContact CG-SD 3.88Å; P51-M425 VanDerWaalsContact O-CE 3.22Å; P51-M425 WeakPolarHBondContact O-CE 3.44Å; P51-Y504 HydrophobicContact CG-CD2 4.26Å; P51-Y504 HydrophobicContact CG-CG 4.09Å |
| 52 | S | 82.9 | Confident | 82.6 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 129.5 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | T54 G55 K56 | S52-T54 PolarHBondContact OG-N 3Å; S52-G55 WeakPolarHBondContact OG-CA 3.38Å; S52-G55 PolarHBondContact OG-N 3.29Å; S52-K56 PolarHBondContact OG-N 3.06Å |
| 53 | V | 77 | Confident | 82.6 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -73.7 | -36 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | M425 P428 I503 | V53-M425 HydrophobicContact CG2-CE 3.53Å; V53-P428 HydrophobicContact CG2-CG 4.4Å; V53-I503 HydrophobicContact CG2-CD1 4.44Å |
| 54 | T | 71.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 62.4 Ų | 62.4 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -91 | -10.2 | -178.5 | 61.8 | 0 | 0 | 0 | 0 | 114 | S52 K56 D59 | S52-T54 PolarHBondContact OG-N 3Å; T54-K56 PolarHBondContact O-N 3.39Å; T54-K56 WeakPolarHBondContact OG1-CB 3.35Å; T54-K56 PolarHBondContact OG1-N 3.25Å; T54-D59 PolarHBondContact OG1-OD2 3.48Å |
| 55 | G | 65.5 | Low | 82.7 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | trans | 69.7 | 0.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S52 | S52-G55 WeakPolarHBondContact OG-CA 3.38Å; S52-G55 PolarHBondContact OG-N 3.29Å | ||
| 56 | K | 61 | Low | 82.6 | Confident | 145 Ų | 145 | 60.7 Ų | 60.7 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | trans | -80.3 | 135 | -178.8 | -65.5 | -179.7 | -179.4 | 176.7 | 0 | 110.5 | S52 T54 H58 D59 | S52-K56 PolarHBondContact OG-N 3.06Å; T54-K56 PolarHBondContact O-N 3.39Å; T54-K56 WeakPolarHBondContact OG1-CB 3.35Å; T54-K56 PolarHBondContact OG1-N 3.25Å; K56-H58 PolarHBondContact O-N 2.93Å; K56-H58 VanDerWaalsContact O-N 3.15Å; K56-D59 HydrophobicContact CB-CB 4.45Å; K56-D59 WeakPolarHBondContact O-CB 3.49Å; K56-D59 PolarHBondContact O-N 2.98Å | ||
| 57 | I | 55.5 | Low | 82.5 | Confident | 134 Ų | 134 | 59.5 Ų | 59.5 | 69% | 0.687 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58.1 | -32.1 | -178.9 | -62 | 172.2 | 0 | 0 | 0 | 112.4 | D59 K60 | I57-D59 PolarHBondContact O-N 2.78Å; I57-K60 WeakPolarHBondContact O-CG 3.38Å |
| 58 | H | 56.7 | Low | 82.3 | Confident | 192 Ų | 192 | 58.9 Ų | 58.9 | 89% | 0.889 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -76.6 | -4.9 | 179.8 | -61.6 | -63.1 | 0 | 0 | 0 | 114.4 | K56 K60 | K56-H58 PolarHBondContact O-N 2.93Å; K56-H58 VanDerWaalsContact O-N 3.15Å; H58-K60 VanDerWaalsContact C-N 3.33Å |
| 59 | D | 63.9 | Low | 82.1 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -99 | 19.5 | -179.5 | -157.3 | 25 | 0 | 0 | 0 | 111.6 | T54 K56 I57 S61 | T54-D59 PolarHBondContact OG1-OD2 3.48Å; K56-D59 HydrophobicContact CB-CB 4.45Å; K56-D59 WeakPolarHBondContact O-CB 3.49Å; K56-D59 PolarHBondContact O-N 2.98Å; I57-D59 PolarHBondContact O-N 2.78Å; D59-S61 PolarHBondContact O-N 2.87Å; D59-S61 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 69 | Low | 81.9 | Confident | 136 Ų | 136 | 53.3 Ų | 53.3 | 59% | 0.591 | 30% | 0.3 | S | S | * | . | trans | -73.5 | 100.7 | 177.3 | -79.2 | -172.8 | 176.1 | -163 | 0 | 109.9 | I57 H58 | I57-K60 WeakPolarHBondContact O-CG 3.38Å; H58-K60 VanDerWaalsContact C-N 3.33Å | ||
| 61 | S | 86.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | trans | -90.9 | 153.9 | 165.8 | -75.4 | 0 | 0 | 0 | 0 | 110.9 | L50 D59 N457 | L50-S61 PolarHBondContact N-O 3.01Å; D59-S61 PolarHBondContact O-N 2.87Å; D59-S61 VanDerWaalsContact O-N 3.09Å; S61-N457 VanDerWaalsContact CB-OD1 3.29Å; S61-N457 WeakPolarHBondContact CB-OD1 3.33Å; S61-N457 PolarHBondContact OG-OD1 3.33Å | ||
| 62 | V | 94.5 | Very high | 80.7 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 18% | 0.176 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 157.3 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 111 | T47 V48 D49 N457 | T47-V62 HydrophobicContact CG2-CB 3.56Å; T47-V62 HydrophobicContact CG2-CG1 4.19Å; T47-V62 HydrophobicContact CG2-CG2 3.81Å; V48-V62 WeakPolarHBondContact O-CA 3.33Å; D49-V62 WeakPolarHBondContact OD1-CG1 3.18Å; V62-N457 PolarHBondContact O-ND2 3.15Å |
| 63 | V | 96.1 | Very high | 80.4 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.2 | 172 | 68.9 | 0 | 0 | 0 | 0 | 111.1 | T47 V48 L50 L65 I423 V462 | T47-V63 WeakPolarHBondContact CA-O 3.41Å; V48-V63 HydrophobicContact CG2-CG1 3.53Å; V48-V63 PolarHBondContact N-O 3.08Å; V48-V63 PolarHBondContact O-N 3.42Å; L50-V63 HydrophobicContact CD1-CB 4.19Å; L50-V63 HydrophobicContact CD1-CG1 4.48Å; L50-V63 HydrophobicContact CD2-CB 4.29Å; L50-V63 HydrophobicContact CD2-CG1 3.71Å; L50-V63 HydrophobicContact CG-CB 4.23Å; L50-V63 HydrophobicContact CG-CG1 4.02Å; V63-L65 HydrophobicContact CG1-CD2 4.44Å; V63-I423 HydrophobicContact CG1-CG1 4.44Å; V63-I423 HydrophobicContact CG1-CG2 4.33Å; V63-I423 HydrophobicContact CG2-CG1 4.04Å; V63-I423 HydrophobicContact CG2-CG2 4.29Å; V63-V462 HydrophobicContact CG2-CG2 3.76Å |
| 64 | D | 97.6 | Very high | 80.3 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.6 | 176.6 | -79.2 | -40.4 | 0 | 0 | 0 | 111.6 | T47 G66 A67 S68 F281 K421 | T47-D64 WeakPolarHBondContact CB-OD1 3.35Å; T47-D64 PolarHBondContact OG1-OD1 3.1Å; D64-G66 VanDerWaalsContact C-N 3.31Å; D64-A67 WeakPolarHBondContact CB-O 3.44Å; D64-S68 WeakPolarHBondContact CB-OG 3.4Å; D64-F281 VanDerWaalsContact CG-N 3.35Å; D64-F281 PolarHBondContact OD1-N 3.16Å; D64-F281 PolarHBondContact OD2-N 3.26Å; D64-K421 PolarHBondContact O-NZ 3.29Å |
| 65 | L | 97.4 | Very high | 80.4 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -74.3 | -24.1 | 175.7 | -56.5 | -174.1 | 0 | 0 | 0 | 112.4 | H46 V48 V63 K421 I423 H506 T508 W510 | H46-L65 HydrophobicContact CB-CB 4.43Å; H46-L65 WeakPolarHBondContact O-CB 3.49Å; H46-L65 PolarHBondContact O-N 3.3Å; V48-L65 HydrophobicContact CG1-CD1 3.61Å; V48-L65 HydrophobicContact CG1-CG 4.09Å; V48-L65 HydrophobicContact CG2-CD1 4.22Å; V48-L65 HydrophobicContact CG2-CD2 3.88Å; V48-L65 HydrophobicContact CG2-CG 4.01Å; V63-L65 HydrophobicContact CG1-CD2 4.44Å; L65-K421 WeakPolarHBondContact O-CD 3.31Å; L65-I423 HydrophobicContact CD2-CD1 3.56Å; L65-I423 HydrophobicContact CD2-CG1 4.34Å; L65-H506 WeakPolarHBondContact CD1-NE2 2.92Å; L65-T508 HydrophobicContact CB-CG2 3.94Å; L65-T508 HydrophobicContact CD2-CG2 4.4Å; L65-W510 HydrophobicContact CB-CZ2 4.34Å |
| 66 | G | 95.7 | Very high | 81.2 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -116.9 | -119.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R44 D64 S68 K421 | R44-G66 WeakPolarHBondContact O-CA 3.44Å; D64-G66 VanDerWaalsContact C-N 3.31Å; G66-S68 PolarHBondContact O-OG 2.82Å; G66-K421 WeakPolarHBondContact O-CE 3.21Å; G66-K421 PolarHBondContact O-NZ 2.88Å |
| 67 | A | 94.6 | Very high | 82.2 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | trans | -61.9 | 137.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I45 D64 F281 T564 | I45-A67 HydrophobicContact CG1-CB 4.2Å; D64-A67 WeakPolarHBondContact CB-O 3.44Å; A67-F281 HydrophobicContact CB-CD1 3.99Å; A67-F281 HydrophobicContact CB-CD2 4.13Å; A67-F281 HydrophobicContact CB-CE1 4.12Å; A67-F281 HydrophobicContact CB-CE2 4.25Å; A67-F281 HydrophobicContact CB-CG 4.01Å; A67-F281 HydrophobicContact CB-CZ 4.25Å; A67-F281 WeakPolarHBondContact O-CB 3.18Å; A67-F281 WeakPolarHBondContact O-CG 3.36Å; A67-T564 HydrophobicContact CB-CG2 3.56Å | ||
| 68 | S | 93.9 | Very high | 83.5 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | trans | -137.1 | -16.7 | -179.4 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | D64 G66 V277 K421 | D64-S68 WeakPolarHBondContact CB-OG 3.4Å; G66-S68 PolarHBondContact O-OG 2.82Å; S68-V277 PolarHBondContact O-N 3.06Å; S68-K421 PolarHBondContact OG-NZ 2.93Å | ||
| 69 | Y | 91.5 | Very high | 84.6 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 144.8 | -172.3 | -69.7 | -88.8 | 0 | 0 | 0 | 111.9 | H71 A96 E108 R275 L276 F281 H439 L450 | Y69-H71 WeakPolarHBondContact CB-CE1 3.19Å; Y69-H71 WeakPolarHBondContact CB-NE2 3.02Å; Y69-H71 AromaticContact CG-CE1 3.81Å; Y69-A96 HydrophobicContact CD1-CB 4.08Å; Y69-A96 HydrophobicContact CE1-CB 3.68Å; Y69-E108 HydrophobicContact CE2-CG 4.29Å; Y69-E108 WeakPolarHBondContact CE2-OE1 3.46Å; Y69-R275 CarbonylContact C-O 3.24Å; Y69-R275 WeakPolarHBondContact CA-O 3.44Å; Y69-L276 HydrophobicContact CD1-CB 4.24Å; Y69-L276 HydrophobicContact CD1-CD1 4.05Å; Y69-L276 HydrophobicContact CD2-CD1 4.31Å; Y69-L276 HydrophobicContact CE1-CB 4.02Å; Y69-L276 HydrophobicContact CE1-CD1 3.69Å; Y69-L276 HydrophobicContact CE1-CG 4.43Å; Y69-L276 HydrophobicContact CE2-CD1 3.95Å; Y69-L276 HydrophobicContact CG-CD1 4.35Å; Y69-F281 WeakPolarHBondContact O-CE2 3.46Å; Y69-H439 PolarHBondContact OH-NE2 2.81Å; Y69-L450 HydrophobicContact CE2-CD2 4.4Å; Y69-L450 VanDerWaalsContact OH-CD1 3.26Å; Y69-L450 WeakPolarHBondContact OH-CD1 3.43Å |
| 70 | L | 89.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119 | 160.1 | -58.6 | 172.4 | 0 | 0 | 0 | 106.8 | C73 L82 F83 A86 T93 D274 R275 V277 F281 F284 | L70-C73 PolarHBondContact O-SG 2.87Å; L70-L82 HydrophobicContact CD2-CB 3.9Å; L70-F83 HydrophobicContact CB-CD2 4.29Å; L70-F83 HydrophobicContact CD1-CD2 4.01Å; L70-A86 HydrophobicContact CD1-CB 3.75Å; L70-T93 HydrophobicContact CD1-CG2 4.09Å; L70-D274 WeakPolarHBondContact O-CA 3.48Å; L70-R275 HydrophobicContact CB-CB 4.35Å; L70-R275 PolarHBondContact N-O 2.79Å; L70-R275 PolarHBondContact O-N 2.91Å; L70-V277 HydrophobicContact CD1-CG2 4.14Å; L70-V277 HydrophobicContact CD2-CG2 4.45Å; L70-V277 HydrophobicContact CG-CG2 3.89Å; L70-F281 HydrophobicContact CD2-CE2 4.06Å; L70-F281 HydrophobicContact CD2-CZ 4.12Å; L70-F284 HydrophobicContact CD2-CE2 4.34Å; L70-F284 HydrophobicContact CD2-CZ 4.03Å |
| 71 | H | 81.2 | Confident | 86.8 | Confident | 33 Ų | 33 | 27 Ų | 27 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | trans | -106.4 | 154 | -173.1 | -60 | -67.3 | 0 | 0 | 0 | 112.5 | Y69 C73 Q80 W107 D274 | Y69-H71 WeakPolarHBondContact CB-CE1 3.19Å; Y69-H71 WeakPolarHBondContact CB-NE2 3.02Å; Y69-H71 AromaticContact CG-CE1 3.81Å; H71-C73 PolarHBondContact O-N 2.8Å; H71-Q80 PolarHBondContact O-NE2 3.5Å; H71-Q80 PolarHBondContact O-OE1 2.81Å; H71-W107 HydrophobicContact CB-CE3 3.88Å; H71-W107 HydrophobicContact CB-CZ3 3.41Å; H71-W107 VanDerWaalsContact CB-CZ3 3.41Å; H71-W107 AromaticContact CD2-CE3 3.46Å; H71-W107 VanDerWaalsContact CD2-CE3 3.46Å; H71-W107 AromaticContact CD2-CZ3 3.34Å; H71-W107 WeakPolarHBondContact CD2-CZ3 3.13Å; H71-W107 AromaticContact CE1-CE3 3.54Å; H71-W107 AromaticContact CG-CE3 3.37Å; H71-W107 AromaticContact CG-CZ3 3.31Å; H71-W107 AromaticContact ND1-CE3 3.44Å; H71-W107 AromaticContact ND1-CZ3 3.9Å; H71-W107 AromaticContact NE2-CE3 3.59Å; H71-W107 AromaticContact NE2-CZ3 3.96Å; H71-D274 VanDerWaalsContact CA-OD1 3.24Å; H71-D274 WeakPolarHBondContact CA-OD1 3.41Å; H71-D274 IonicContact CE1-OD2 2.62Å; H71-D274 IonicContact CG-OD2 3.29Å; H71-D274 IonicContact ND1-OD2 3.73Å; H71-D274 PolarHBondContact ND1-OD2 2.83Å | ||
| 72 | G | 72.8 | Confident | 87.1 | Confident | 11 Ų | 11 | 25.9 Ų | 25.9 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 55.8 | 38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N74 Q80 D274 | G72-N74 PolarHBondContact O-N 2.88Å; G72-N74 VanDerWaalsContact O-N 3.13Å; G72-N74 PolarHBondContact O-ND2 2.8Å; G72-N74 VanDerWaalsContact O-ND2 3.16Å; G72-Q80 VanDerWaalsContact O-CG 3.3Å; G72-Q80 WeakPolarHBondContact O-CG 3.12Å; G72-D274 PolarHBondContact N-OD1 2.82Å |
| 73 | C | 76.9 | Confident | 87 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | trans | -54.9 | 115.7 | -167.3 | -70.6 | 0 | 0 | 0 | 0 | 111 | L70 H71 F83 T268 E273 | L70-C73 PolarHBondContact O-SG 2.87Å; H71-C73 PolarHBondContact O-N 2.8Å; C73-F83 HydrophobicContact CB-CD2 3.66Å; C73-F83 HydrophobicContact CB-CE1 4.41Å; C73-F83 HydrophobicContact CB-CE2 3.38Å; C73-F83 HydrophobicContact CB-CG 4.27Å; C73-F83 HydrophobicContact CB-CZ 3.77Å; C73-F83 WeakPolarHBondContact SG-CD2 3.39Å; C73-F83 WeakPolarHBondContact SG-CE2 3.47Å; C73-T268 HydrophobicContact CB-CG2 3.47Å; C73-T268 VanDerWaalsContact CB-CG2 3.47Å; C73-T268 PolarHBondContact O-OG1 3.01Å; C73-E273 WeakPolarHBondContact CB-O 3.4Å | ||
| 74 | N | 76.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 25 Ų | 25 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | trans | -142.4 | 160 | 176.9 | 70.9 | 63.9 | 0 | 0 | 0 | 110.4 | G72 S76 V79 F83 | G72-N74 PolarHBondContact O-N 2.88Å; G72-N74 VanDerWaalsContact O-N 3.13Å; G72-N74 PolarHBondContact O-ND2 2.8Å; G72-N74 VanDerWaalsContact O-ND2 3.16Å; N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CA 3.44Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.5Å; N74-S76 PolarHBondContact OD1-N 3.36Å; N74-S76 PolarHBondContact OD1-O 3.38Å; N74-S76 VanDerWaalsContact OD1-O 3.07Å; N74-V79 WeakPolarHBondContact ND2-CB 3.39Å; N74-V79 WeakPolarHBondContact ND2-CG1 3.48Å; N74-F83 VanDerWaalsContact O-CD1 3.28Å; N74-F83 WeakPolarHBondContact O-CD1 3.37Å | ||
| 75 | N | 72.2 | Confident | 86.7 | Confident | 92 Ų | 92 | 24.4 Ų | 24.4 | 49% | 0.492 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -79.6 | 2.5 | -175.8 | -65 | -26.7 | 0 | 0 | 0 | 114.1 | R267 | N75-R267 WeakPolarHBondContact ND2-CB 3.26Å; N75-R267 VanDerWaalsContact ND2-CG 3.35Å; N75-R267 WeakPolarHBondContact ND2-CG 3.15Å; N75-R267 WeakPolarHBondContact OD1-CA 3.46Å |
| 76 | S | 82.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 24.2 Ų | 24.2 | 33% | 0.329 | 14% | 0.143 | S | C | . | . | trans | -92.7 | 112.1 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 110 | N74 D78 V79 Q80 | N74-S76 PolarHBondContact O-N 3.17Å; N74-S76 WeakPolarHBondContact OD1-CA 3.44Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.5Å; N74-S76 PolarHBondContact OD1-N 3.36Å; N74-S76 PolarHBondContact OD1-O 3.38Å; N74-S76 VanDerWaalsContact OD1-O 3.07Å; S76-D78 PolarHBondContact O-N 3.2Å; S76-D78 PolarHBondContact OG-N 3.32Å; S76-V79 PolarHBondContact O-N 2.88Å; S76-Q80 PolarHBondContact O-N 3.25Å | ||
| 77 | Q | 83 | Confident | 86.5 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.5 | 175.2 | 75.9 | -169.7 | -88.7 | 0 | 0 | 113.4 | V79 P81 T84 R593 I595 | Q77-V79 PolarHBondContact O-N 3.24Å; Q77-P81 WeakPolarHBondContact O-CA 3.44Å; Q77-P81 WeakPolarHBondContact O-CB 3.5Å; Q77-P81 WeakPolarHBondContact O-CD 3.42Å; Q77-T84 HydrophobicContact CB-CG2 4.2Å; Q77-R593 VanDerWaalsContact NE2-CB 3.26Å; Q77-R593 VanDerWaalsContact NE2-NE 3.17Å; Q77-R593 VanDerWaalsContact OE1-CA 3.22Å; Q77-I595 HydrophobicContact CB-CG1 4.17Å |
| 78 | D | 82.4 | Confident | 86.4 | Confident | 132 Ų | 132 | 27.1 Ų | 27.1 | 71% | 0.706 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.7 | 175.1 | -62 | -28.4 | 0 | 0 | 0 | 111.5 | S76 | S76-D78 PolarHBondContact O-N 3.2Å; S76-D78 PolarHBondContact OG-N 3.32Å |
| 79 | V | 79.9 | Confident | 86.5 | Confident | 50 Ų | 50 | 29.2 Ų | 29.2 | 30% | 0.303 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -48.2 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | N74 S76 Q77 | N74-V79 WeakPolarHBondContact ND2-CB 3.39Å; N74-V79 WeakPolarHBondContact ND2-CG1 3.48Å; S76-V79 PolarHBondContact O-N 2.88Å; Q77-V79 PolarHBondContact O-N 3.24Å |
| 80 | Q | 86.5 | Confident | 86.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | trans | -126 | 75 | 177.9 | -68.7 | -57.9 | -19.6 | 0 | 0 | 111.9 | H71 G72 S76 L82 F83 T84 | H71-Q80 PolarHBondContact O-NE2 3.5Å; H71-Q80 PolarHBondContact O-OE1 2.81Å; G72-Q80 VanDerWaalsContact O-CG 3.3Å; G72-Q80 WeakPolarHBondContact O-CG 3.12Å; S76-Q80 PolarHBondContact O-N 3.25Å; Q80-L82 VanDerWaalsContact C-N 3.28Å; Q80-L82 PolarHBondContact O-N 2.76Å; Q80-F83 HydrophobicContact CB-CB 3.78Å; Q80-F83 WeakPolarHBondContact O-CB 3.39Å; Q80-F83 PolarHBondContact O-N 3.16Å; Q80-T84 PolarHBondContact O-N 2.76Å | ||
| 81 | P | 92 | Very high | 86.9 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -38.1 | 178.9 | 21.3 | -31.5 | 0 | 0 | 0 | 112.4 | Q77 F83 T84 L85 H565 F568 I595 | Q77-P81 WeakPolarHBondContact O-CA 3.44Å; Q77-P81 WeakPolarHBondContact O-CB 3.5Å; Q77-P81 WeakPolarHBondContact O-CD 3.42Å; P81-F83 VanDerWaalsContact C-N 3.33Å; P81-F83 PolarHBondContact O-N 3.34Å; P81-T84 PolarHBondContact O-N 3.46Å; P81-L85 WeakPolarHBondContact O-CB 3.43Å; P81-L85 PolarHBondContact O-N 3.45Å; P81-H565 HydrophobicContact CG-CB 4.12Å; P81-F568 HydrophobicContact CB-CD1 3.87Å; P81-F568 HydrophobicContact CB-CE1 3.83Å; P81-F568 HydrophobicContact CG-CD1 3.83Å; P81-F568 HydrophobicContact CG-CE1 4.29Å; P81-I595 HydrophobicContact CB-CD1 3.95Å; P81-I595 HydrophobicContact CB-CG1 4.03Å |
| 82 | L | 93.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.5 | -29.2 | -179 | -60.9 | -174.9 | 0 | 0 | 0 | 113.1 | I16 L70 Q80 L85 A86 F281 T564 H565 F568 | I16-L82 HydrophobicContact CD1-CD1 3.81Å; I16-L82 HydrophobicContact CD1-CD2 3.88Å; L70-L82 HydrophobicContact CD2-CB 3.9Å; Q80-L82 VanDerWaalsContact C-N 3.28Å; Q80-L82 PolarHBondContact O-N 2.76Å; L82-L85 HydrophobicContact CD2-CD2 4.21Å; L82-L85 PolarHBondContact O-N 2.72Å; L82-A86 WeakPolarHBondContact O-CB 3.22Å; L82-A86 PolarHBondContact O-N 3.18Å; L82-F281 HydrophobicContact CD1-CE1 4.25Å; L82-F281 HydrophobicContact CD1-CZ 4.12Å; L82-T564 VanDerWaalsContact CD1-OG1 3.3Å; L82-T564 WeakPolarHBondContact CD1-OG1 3.47Å; L82-H565 HydrophobicContact CD1-CB 4.34Å; L82-H565 HydrophobicContact CG-CB 4.3Å; L82-F568 HydrophobicContact CD2-CB 4.19Å; L82-F568 HydrophobicContact CD2-CD2 3.99Å; L82-F568 HydrophobicContact CD2-CG 4.02Å |
| 83 | F | 92.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -45.4 | 172.4 | -170.7 | -104 | 0 | 0 | 0 | 111.6 | L70 C73 N74 Q80 P81 L85 A86 S87 A265 R266 T268 R275 | L70-F83 HydrophobicContact CB-CD2 4.29Å; L70-F83 HydrophobicContact CD1-CD2 4.01Å; C73-F83 HydrophobicContact CB-CD2 3.66Å; C73-F83 HydrophobicContact CB-CE1 4.41Å; C73-F83 HydrophobicContact CB-CE2 3.38Å; C73-F83 HydrophobicContact CB-CG 4.27Å; C73-F83 HydrophobicContact CB-CZ 3.77Å; C73-F83 WeakPolarHBondContact SG-CD2 3.39Å; C73-F83 WeakPolarHBondContact SG-CE2 3.47Å; N74-F83 VanDerWaalsContact O-CD1 3.28Å; N74-F83 WeakPolarHBondContact O-CD1 3.37Å; Q80-F83 HydrophobicContact CB-CB 3.78Å; Q80-F83 WeakPolarHBondContact O-CB 3.39Å; Q80-F83 PolarHBondContact O-N 3.16Å; P81-F83 VanDerWaalsContact C-N 3.33Å; P81-F83 PolarHBondContact O-N 3.34Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 PolarHBondContact O-N 3.43Å; F83-A86 PolarHBondContact O-N 3.13Å; F83-S87 PolarHBondContact O-N 3.2Å; F83-S87 VanDerWaalsContact O-N 3.14Å; F83-A265 HydrophobicContact CD2-CB 4Å; F83-A265 HydrophobicContact CE2-CB 3.73Å; F83-A265 HydrophobicContact CZ-CB 4.03Å; F83-R266 VanDerWaalsContact CE1-O 3.23Å; F83-R266 WeakPolarHBondContact CE1-O 3.31Å; F83-R266 WeakPolarHBondContact CZ-O 3.44Å; F83-T268 HydrophobicContact CZ-CG2 4.03Å; F83-R275 HydrophobicContact CE2-CG 4.23Å |
| 84 | T | 92.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | Q77 Q80 P81 A86 S87 R88 I595 | Q77-T84 HydrophobicContact CB-CG2 4.2Å; Q80-T84 PolarHBondContact O-N 2.76Å; P81-T84 PolarHBondContact O-N 3.46Å; T84-A86 PolarHBondContact O-N 2.77Å; T84-S87 VanDerWaalsContact O-CB 3.23Å; T84-S87 WeakPolarHBondContact O-CB 3.36Å; T84-S87 PolarHBondContact O-N 2.75Å; T84-R88 WeakPolarHBondContact O-CG 3.25Å; T84-R88 PolarHBondContact O-N 2.84Å; T84-I595 HydrophobicContact CG2-CB 4.19Å; T84-I595 HydrophobicContact CG2-CG2 3.81Å |
| 85 | L | 95 | Very high | 90 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.4 | -175.2 | 56.8 | 0 | 0 | 0 | 111.8 | P81 L82 F83 S87 R88 L89 F284 F287 I595 T599 | P81-L85 WeakPolarHBondContact O-CB 3.43Å; P81-L85 PolarHBondContact O-N 3.45Å; L82-L85 HydrophobicContact CD2-CD2 4.21Å; L82-L85 PolarHBondContact O-N 2.72Å; F83-L85 VanDerWaalsContact C-N 3.33Å; F83-L85 PolarHBondContact O-N 3.43Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 3.22Å; L85-R88 PolarHBondContact O-N 3.16Å; L85-R88 VanDerWaalsContact O-N 3.11Å; L85-L89 HydrophobicContact CD1-CD1 3.83Å; L85-L89 HydrophobicContact CD1-CD2 4.38Å; L85-L89 HydrophobicContact CD1-CG 3.86Å; L85-L89 HydrophobicContact CD2-CD1 4.48Å; L85-L89 HydrophobicContact CG-CD1 3.83Å; L85-L89 HydrophobicContact CG-CG 4.22Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 WeakPolarHBondContact O-CG 3.19Å; L85-L89 PolarHBondContact O-N 2.83Å; L85-F284 HydrophobicContact CB-CD1 4.43Å; L85-F284 HydrophobicContact CB-CE1 4.21Å; L85-F284 HydrophobicContact CD2-CD1 3.71Å; L85-F284 HydrophobicContact CD2-CE1 4.31Å; L85-F284 HydrophobicContact CG-CD1 3.91Å; L85-F284 HydrophobicContact CG-CE1 4.12Å; L85-F287 HydrophobicContact CD1-CD1 3.95Å; L85-F287 HydrophobicContact CD1-CE1 3.67Å; L85-F287 HydrophobicContact CD1-CZ 4.25Å; L85-F287 HydrophobicContact CD2-CD1 4.23Å; L85-F287 HydrophobicContact CD2-CE1 4.4Å; L85-I595 HydrophobicContact CB-CD1 4.16Å; L85-I595 HydrophobicContact CB-CG2 4.1Å; L85-I595 HydrophobicContact CD1-CG2 4.16Å; L85-T599 HydrophobicContact CD1-CG2 3.65Å |
| 86 | A | 95.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.6 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L70 L82 F83 T84 L89 K90 I91 A265 F284 | L70-A86 HydrophobicContact CD1-CB 3.75Å; L82-A86 WeakPolarHBondContact O-CB 3.22Å; L82-A86 PolarHBondContact O-N 3.18Å; F83-A86 PolarHBondContact O-N 3.13Å; T84-A86 PolarHBondContact O-N 2.77Å; A86-L89 PolarHBondContact O-N 2.88Å; A86-K90 PolarHBondContact O-N 3.47Å; A86-I91 HydrophobicContact CB-CB 4.36Å; A86-I91 PolarHBondContact O-N 2.81Å; A86-A265 HydrophobicContact CB-CB 3.84Å; A86-F284 HydrophobicContact CB-CE1 3.98Å; A86-F284 HydrophobicContact CB-CZ 3.8Å |
| 87 | S | 93.5 | Very high | 90.7 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 24% | 0.238 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 174.7 | -160 | 0 | 0 | 0 | 0 | 112.1 | F83 T84 L85 K90 A265 | F83-S87 PolarHBondContact O-N 3.2Å; F83-S87 VanDerWaalsContact O-N 3.14Å; T84-S87 VanDerWaalsContact O-CB 3.23Å; T84-S87 WeakPolarHBondContact O-CB 3.36Å; T84-S87 PolarHBondContact O-N 2.75Å; L85-S87 VanDerWaalsContact C-N 3.26Å; L85-S87 PolarHBondContact O-N 3.22Å; S87-K90 PolarHBondContact O-N 3.01Å; S87-A265 WeakPolarHBondContact CA-O 3.03Å; S87-A265 WeakPolarHBondContact CB-O 3.3Å; S87-A265 PolarHBondContact OG-O 2.88Å |
| 88 | R | 92.6 | Very high | 90.3 | Very high | 63 Ų | 63 | 25.9 Ų | 25.9 | 24% | 0.238 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | -179.5 | -64.3 | -58 | 179.7 | -132.5 | 4.8 | 112.9 | T84 L85 K90 I595 D596 T599 H601 Y603 | T84-R88 WeakPolarHBondContact O-CG 3.25Å; T84-R88 PolarHBondContact O-N 2.84Å; L85-R88 PolarHBondContact O-N 3.16Å; L85-R88 VanDerWaalsContact O-N 3.11Å; R88-K90 PolarHBondContact O-N 2.99Å; R88-I595 HydrophobicContact CG-CG2 4.1Å; R88-D596 IonicContact CZ-OD1 3.64Å; R88-D596 IonicContact NE-OD1 2.73Å; R88-D596 PolarHBondContact NE-OD1 3.3Å; R88-D596 IonicContact NH2-OD1 3.76Å; R88-D596 PolarHBondContact NH2-OD1 3.01Å; R88-D596 VanDerWaalsContact NH2-OD1 3.15Å; R88-T599 HydrophobicContact CB-CG2 3.84Å; R88-T599 HydrophobicContact CG-CG2 4.25Å; R88-H601 VanDerWaalsContact CD-CD2 3.46Å; R88-H601 WeakPolarHBondContact CD-CD2 3.46Å; R88-H601 PolarHBondContact NE-CD2 3.45Å; R88-H601 PolarHBondContact NH1-NE2 2.9Å; R88-Y603 PolarHBondContact NH2-OH 3.39Å |
| 89 | L | 94.9 | Very high | 89.4 | Confident | 54 Ų | 54 | 20.3 Ų | 20.3 | 28% | 0.283 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2.2 | 178.1 | -60.5 | -178.4 | 0 | 0 | 0 | 113 | L85 A86 I91 F284 F287 | L85-L89 HydrophobicContact CD1-CD1 3.83Å; L85-L89 HydrophobicContact CD1-CD2 4.38Å; L85-L89 HydrophobicContact CD1-CG 3.86Å; L85-L89 HydrophobicContact CD2-CD1 4.48Å; L85-L89 HydrophobicContact CG-CD1 3.83Å; L85-L89 HydrophobicContact CG-CG 4.22Å; L85-L89 WeakPolarHBondContact O-CB 3.39Å; L85-L89 WeakPolarHBondContact O-CG 3.19Å; L85-L89 PolarHBondContact O-N 2.83Å; A86-L89 PolarHBondContact O-N 2.88Å; L89-I91 HydrophobicContact CB-CD1 3.97Å; L89-I91 HydrophobicContact CB-CG1 3.86Å; L89-I91 HydrophobicContact CD1-CD1 4.02Å; L89-I91 PolarHBondContact O-N 3.45Å; L89-F284 HydrophobicContact CD1-CD1 4.38Å; L89-F287 HydrophobicContact CD1-CB 3.67Å; L89-F287 HydrophobicContact CD1-CD1 4.11Å; L89-F287 HydrophobicContact CD1-CD2 4.37Å; L89-F287 HydrophobicContact CD1-CG 3.78Å; L89-F287 HydrophobicContact CD2-CB 4.27Å; L89-F287 HydrophobicContact CD2-CD1 4.48Å; L89-F287 HydrophobicContact CD2-CD2 3.53Å; L89-F287 HydrophobicContact CD2-CE2 3.93Å; L89-F287 HydrophobicContact CD2-CG 3.83Å; L89-F287 HydrophobicContact CG-CG 4.43Å |
| 90 | K | 94.9 | Very high | 88 | Confident | 154 Ų | 154 | 19.6 Ų | 19.6 | 67% | 0.67 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 35.5 | -177 | -54.8 | -178.9 | -179.2 | 175.8 | 0 | 113 | A86 S87 R88 A92 I264 | A86-K90 PolarHBondContact O-N 3.47Å; S87-K90 PolarHBondContact O-N 3.01Å; R88-K90 PolarHBondContact O-N 2.99Å; K90-A92 PolarHBondContact O-N 3.16Å; K90-I264 HydrophobicContact CB-CD1 3.81Å; K90-I264 HydrophobicContact CB-CG1 4.32Å; K90-I264 HydrophobicContact CD-CD1 4.49Å; K90-I264 HydrophobicContact CG-CD1 4.04Å |
| 91 | I | 95.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | trans | -67.9 | 129.8 | 177.8 | -67.4 | 171.1 | 0 | 0 | 0 | 108.7 | A86 L89 T93 V277 K283 F284 | A86-I91 HydrophobicContact CB-CB 4.36Å; A86-I91 PolarHBondContact O-N 2.81Å; L89-I91 HydrophobicContact CB-CD1 3.97Å; L89-I91 HydrophobicContact CB-CG1 3.86Å; L89-I91 HydrophobicContact CD1-CD1 4.02Å; L89-I91 PolarHBondContact O-N 3.45Å; I91-T93 HydrophobicContact CG2-CG2 4.48Å; I91-V277 HydrophobicContact CG2-CG1 3.66Å; I91-K283 HydrophobicContact CD1-CB 3.6Å; I91-K283 HydrophobicContact CG1-CB 3.99Å; I91-F284 HydrophobicContact CD1-CD1 3.96Å; I91-F284 HydrophobicContact CD1-CD2 4.45Å; I91-F284 HydrophobicContact CD1-CE1 3.66Å; I91-F284 HydrophobicContact CD1-CE2 4.17Å; I91-F284 HydrophobicContact CD1-CG 4.36Å; I91-F284 HydrophobicContact CD1-CZ 3.77Å | ||
| 92 | A | 93.7 | Very high | 84.2 | Confident | 21 Ų | 21 | 24 Ų | 24 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K90 L278 D279 | K90-A92 PolarHBondContact O-N 3.16Å; A92-L278 HydrophobicContact CB-CB 4.31Å; A92-L278 PolarHBondContact O-N 2.87Å; A92-D279 WeakPolarHBondContact CB-OD2 3.39Å; A92-D279 PolarHBondContact N-OD2 3.37Å |
| 93 | T | 94.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 163 | -179 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | L70 I91 S263 A265 R275 L276 V277 | L70-T93 HydrophobicContact CD1-CG2 4.09Å; I91-T93 HydrophobicContact CG2-CG2 4.48Å; T93-S263 CarbonylContact C-O 3.48Å; T93-S263 WeakPolarHBondContact CA-O 3.35Å; T93-S263 PolarHBondContact N-O 3.2Å; T93-S263 PolarHBondContact O-N 2.77Å; T93-S263 PolarHBondContact OG1-O 3.31Å; T93-A265 HydrophobicContact CG2-CB 4.41Å; T93-A265 PolarHBondContact OG1-N 3.33Å; T93-R275 WeakPolarHBondContact OG1-CD 3.14Å; T93-R275 PolarHBondContact OG1-NH1 2.89Å; T93-L276 CarbonylContact C-O 3.16Å; T93-L276 WeakPolarHBondContact CA-O 3.19Å; T93-L276 WeakPolarHBondContact CB-O 3.5Å; T93-V277 HydrophobicContact CG2-CG2 4.33Å |
| 94 | S | 93.3 | Very high | 79.1 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.7 | 173.8 | -140.7 | 0 | 0 | 0 | 0 | 111.6 | A96 G259 C261 R275 L276 | S94-A96 PolarHBondContact O-N 2.83Å; S94-G259 WeakPolarHBondContact CB-O 3.37Å; S94-G259 PolarHBondContact OG-O 3.22Å; S94-C261 PolarHBondContact OG-O 3.05Å; S94-R275 CarbonylContact O-C 3.5Å; S94-R275 VanDerWaalsContact O-CA 3.24Å; S94-R275 WeakPolarHBondContact O-CA 3.29Å; S94-L276 PolarHBondContact N-O 3.36Å; S94-L276 PolarHBondContact O-N 2.78Å |
| 95 | P | 90.9 | Very high | 76.9 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 135.5 | 171.7 | -24.2 | 34.3 | 0 | 0 | 0 | 111.9 | Y254 E273 Y455 | P95-Y254 HydrophobicContact CB-CE1 4.24Å; P95-E273 HydrophobicContact CB-CG 4.47Å; P95-Y455 PolarHBondContact O-OH 3.49Å |
| 96 | A | 89.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 160.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y69 S94 G98 D274 L276 | Y69-A96 HydrophobicContact CD1-CB 4.08Å; Y69-A96 HydrophobicContact CE1-CB 3.68Å; S94-A96 PolarHBondContact O-N 2.83Å; A96-G98 PolarHBondContact O-N 3.28Å; A96-D274 PolarHBondContact N-O 2.73Å; A96-D274 PolarHBondContact O-N 3.19Å; A96-D274 VanDerWaalsContact O-N 3.11Å; A96-D274 VanDerWaalsContact O-O 3.14Å; A96-L276 HydrophobicContact CB-CB 4.44Å |
| 97 | A | 79.6 | Confident | 73.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 97.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E108 C109 V112 L255 | A97-E108 WeakPolarHBondContact O-CA 3.47Å; A97-E108 PolarHBondContact O-N 2.85Å; A97-C109 HydrophobicContact CB-CB 4.19Å; A97-V112 HydrophobicContact CB-CG2 4.03Å; A97-L255 HydrophobicContact CB-CD1 3.62Å |
| 98 | G | 73.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 172.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A96 K251 W272 D274 | A96-G98 PolarHBondContact O-N 3.28Å; G98-K251 VanDerWaalsContact O-CE 3.29Å; G98-K251 WeakPolarHBondContact O-CE 3.31Å; G98-K251 PolarHBondContact O-NZ 3.19Å; G98-W272 CarbonylContact C-O 3.51Å; G98-W272 WeakPolarHBondContact CA-O 3.41Å; G98-W272 PolarHBondContact N-O 3.28Å; G98-D274 VanDerWaalsContact CA-OD2 3.25Å; G98-D274 WeakPolarHBondContact CA-OD2 3.4Å |
| 99 | D | 63.5 | Low | 72 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | trans | -116.7 | 167.8 | -154.3 | -141.1 | -18.4 | 0 | 0 | 0 | 117 | G106 W107 Y201 | D99-G106 VanDerWaalsContact CB-CA 3.46Å; D99-G106 WeakPolarHBondContact CB-O 3.49Å; D99-G106 VanDerWaalsContact CG-CA 3.47Å; D99-G106 WeakPolarHBondContact OD2-CA 3.27Å; D99-W107 PolarHBondContact OD2-N 2.81Å; D99-Y201 WeakPolarHBondContact OD2-CE1 3.49Å | ||
| 100 | V | 50.6 | Low | 71.7 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -77.5 | -29.1 | -168.7 | -140.5 | 0 | 0 | 0 | 0 | 113.5 | G102 Y244 W247 | V100-G102 PolarHBondContact O-N 3.21Å; V100-Y244 HydrophobicContact CG1-CE2 4.47Å; V100-W247 HydrophobicContact CB-CH2 3.94Å; V100-W247 HydrophobicContact CB-CZ3 4.26Å; V100-W247 HydrophobicContact CG1-CE3 4.33Å; V100-W247 HydrophobicContact CG1-CH2 3.51Å; V100-W247 HydrophobicContact CG1-CZ2 4.11Å; V100-W247 HydrophobicContact CG1-CZ3 3.61Å; V100-W247 HydrophobicContact CG2-CH2 3.54Å; V100-W247 HydrophobicContact CG2-CZ3 3.72Å |
| 101 | L | 51.5 | Low | 71.6 | Confident | 55 Ų | 55 | 22.1 Ų | 22.1 | 29% | 0.288 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -80.9 | 20.1 | -165.4 | -63.7 | 173.1 | 0 | 0 | 0 | 113.9 | R105 Y201 F221 | L101-R105 HydrophobicContact CB-CB 3.91Å; L101-R105 WeakPolarHBondContact CB-O 3.4Å; L101-R105 WeakPolarHBondContact CD1-O 3.47Å; L101-R105 WeakPolarHBondContact O-CB 3.45Å; L101-Y201 HydrophobicContact CD1-CD1 3.75Å; L101-Y201 HydrophobicContact CD1-CE1 4.01Å; L101-Y201 HydrophobicContact CD1-CG 4.48Å; L101-F221 HydrophobicContact CD2-CE2 3.45Å; L101-F221 VanDerWaalsContact CD2-CE2 3.45Å; L101-F221 HydrophobicContact CD2-CZ 3.85Å |
| 102 | G | 47.9 | Very low | 71.4 | Confident | 42 Ų | 42 | 22 Ų | 22 | 43% | 0.433 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 94.2 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V100 H104 R105 | V100-G102 PolarHBondContact O-N 3.21Å; G102-H104 PolarHBondContact O-N 2.82Å; G102-R105 PolarHBondContact O-N 3.22Å |
| 103 | T | 39.7 | Very low | 71.3 | Confident | 95 Ų | 95 | 21.1 Ų | 21.1 | 58% | 0.583 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.9 | -164.6 | 50.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 104 | H | 40.1 | Very low | 71.4 | Confident | 54 Ų | 54 | 21.7 Ų | 21.7 | 25% | 0.25 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | 11.2 | -172.8 | -51.3 | -55.9 | 0 | 0 | 0 | 115.6 | G102 W107 | G102-H104 PolarHBondContact O-N 2.82Å; H104-W107 VanDerWaalsContact O-CZ2 3.31Å; H104-W107 WeakPolarHBondContact O-CZ2 3.5Å |
| 105 | R | 44.8 | Very low | 71.6 | Confident | 83 Ų | 83 | 21.8 Ų | 21.8 | 31% | 0.313 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -123 | 21.4 | -167.1 | -72 | -165.1 | 178.3 | 178.3 | -2 | 117 | L101 G102 S216 L217 | L101-R105 HydrophobicContact CB-CB 3.91Å; L101-R105 WeakPolarHBondContact CB-O 3.4Å; L101-R105 WeakPolarHBondContact CD1-O 3.47Å; L101-R105 WeakPolarHBondContact O-CB 3.45Å; G102-R105 PolarHBondContact O-N 3.22Å; R105-S216 PolarHBondContact NH1-O 3.49Å; R105-L217 VanDerWaalsContact CD-O 3.27Å; R105-L217 WeakPolarHBondContact CD-O 3.29Å; R105-L217 PolarHBondContact NH1-O 3.2Å |
| 106 | G | 50.2 | Low | 71.9 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | trans | -164 | 157.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | D99 | D99-G106 VanDerWaalsContact CB-CA 3.46Å; D99-G106 WeakPolarHBondContact CB-O 3.49Å; D99-G106 VanDerWaalsContact CG-CA 3.47Å; D99-G106 WeakPolarHBondContact OD2-CA 3.27Å | ||
| 107 | W | 65.3 | Low | 72.2 | Confident | 41 Ų | 41 | 24.8 Ų | 24.8 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 141 | -174.8 | -39 | 87.5 | 0 | 0 | 0 | 107 | H71 D99 H104 R200 C563 | H71-W107 HydrophobicContact CB-CE3 3.88Å; H71-W107 HydrophobicContact CB-CZ3 3.41Å; H71-W107 VanDerWaalsContact CB-CZ3 3.41Å; H71-W107 AromaticContact CD2-CE3 3.46Å; H71-W107 VanDerWaalsContact CD2-CE3 3.46Å; H71-W107 AromaticContact CD2-CZ3 3.34Å; H71-W107 WeakPolarHBondContact CD2-CZ3 3.13Å; H71-W107 AromaticContact CE1-CE3 3.54Å; H71-W107 AromaticContact CG-CE3 3.37Å; H71-W107 AromaticContact CG-CZ3 3.31Å; H71-W107 AromaticContact ND1-CE3 3.44Å; H71-W107 AromaticContact ND1-CZ3 3.9Å; H71-W107 AromaticContact NE2-CE3 3.59Å; H71-W107 AromaticContact NE2-CZ3 3.96Å; D99-W107 PolarHBondContact OD2-N 2.81Å; H104-W107 VanDerWaalsContact O-CZ2 3.31Å; H104-W107 WeakPolarHBondContact O-CZ2 3.5Å; W107-R200 VanDerWaalsContact C-NH2 3.32Å; W107-R200 PolarHBondContact O-NE 3.19Å; W107-R200 PolarHBondContact O-NH1 3.46Å; W107-R200 VanDerWaalsContact O-NH1 3.09Å; W107-R200 PolarHBondContact O-NH2 2.9Å; W107-C563 WeakPolarHBondContact CH2-SG 3.42Å |
| 108 | E | 73.5 | Confident | 72.9 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 46.8 | 69.6 | 178.1 | -54.2 | 159.3 | -177.9 | 0 | 0 | 112.2 | Y69 A97 P110 R200 H448 H464 | Y69-E108 HydrophobicContact CE2-CG 4.29Å; Y69-E108 WeakPolarHBondContact CE2-OE1 3.46Å; A97-E108 WeakPolarHBondContact O-CA 3.47Å; A97-E108 PolarHBondContact O-N 2.85Å; E108-P110 WeakPolarHBondContact O-CD 3.49Å; E108-R200 IonicContact OE1-NH2 3.48Å; E108-R200 IonicContact OE2-CZ 3.56Å; E108-R200 IonicContact OE2-NE 3.36Å; E108-R200 PolarHBondContact OE2-NE 3.24Å; E108-R200 IonicContact OE2-NH2 2.84Å; E108-R200 PolarHBondContact OE2-NH2 2.93Å; E108-H448 IonicContact OE2-CD2 3.79Å; E108-H464 IonicContact OE1-CE1 3.81Å |
| 109 | C | 84.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -41.2 | 102.3 | -178.4 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | A97 E111 V112 K251 | A97-C109 HydrophobicContact CB-CB 4.19Å; C109-E111 PolarHBondContact O-N 2.92Å; C109-E111 PolarHBondContact SG-OE2 2.92Å; C109-V112 HydrophobicContact CB-CG2 4.24Å; C109-V112 VanDerWaalsContact O-CG2 3.24Å; C109-V112 WeakPolarHBondContact O-CG2 3.47Å; C109-V112 PolarHBondContact O-N 2.75Å; C109-K251 PolarHBondContact SG-NZ 3.37Å | ||
| 110 | P | 89.5 | Confident | 75.4 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -68.7 | -22.4 | -169.2 | 26.7 | -36.5 | 0 | 0 | 0 | 112.4 | E108 V112 A113 W115 L197 R200 Y201 | E108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-V112 VanDerWaalsContact C-N 3.29Å; P110-V112 PolarHBondContact O-N 3.14Å; P110-A113 VanDerWaalsContact O-CB 3.32Å; P110-A113 WeakPolarHBondContact O-CB 3.48Å; P110-A113 PolarHBondContact O-N 3.32Å; P110-W115 HydrophobicContact CB-CZ2 4.38Å; P110-W115 PolarHBondContact O-NE1 2.9Å; P110-L197 HydrophobicContact CB-CD2 4.06Å; P110-L197 HydrophobicContact CG-CD2 3.55Å; P110-R200 HydrophobicContact CB-CB 4.46Å; P110-R200 HydrophobicContact CB-CG 4.06Å; P110-R200 HydrophobicContact CG-CB 4.14Å; P110-R200 HydrophobicContact CG-CG 3.81Å; P110-Y201 HydrophobicContact CG-CE2 3.79Å |
| 111 | E | 91.2 | Very high | 77.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -62.8 | -34.8 | 180 | -63.2 | 83.6 | 173.8 | 0 | 0 | 112.2 | C109 A113 L126 V129 S133 L197 Y201 Y244 L248 | C109-E111 PolarHBondContact O-N 2.92Å; C109-E111 PolarHBondContact SG-OE2 2.92Å; E111-A113 VanDerWaalsContact C-N 3.3Å; E111-A113 PolarHBondContact O-N 3Å; E111-L126 HydrophobicContact CB-CD1 4.43Å; E111-L126 WeakPolarHBondContact O-CD1 3.27Å; E111-V129 HydrophobicContact CB-CG1 4.33Å; E111-V129 HydrophobicContact CG-CG1 4.07Å; E111-S133 PolarHBondContact OE1-OG 3.37Å; E111-L197 HydrophobicContact CG-CD2 4.45Å; E111-Y201 VanDerWaalsContact OE1-CE2 3.3Å; E111-Y201 WeakPolarHBondContact OE1-CE2 3.14Å; E111-Y201 PolarHBondContact OE1-OH 3.32Å; E111-Y201 PolarHBondContact OE2-OH 2.95Å; E111-Y244 PolarHBondContact OE1-OH 2.96Å; E111-L248 HydrophobicContact CB-CD1 3.84Å; E111-L248 HydrophobicContact CB-CD2 3.82Å; E111-L248 HydrophobicContact CG-CD1 4.24Å |
| 112 | V | 90.7 | Very high | 79.7 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -84 | -3.9 | -179.2 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | A97 C109 P110 L248 K251 K252 L255 | A97-V112 HydrophobicContact CB-CG2 4.03Å; C109-V112 HydrophobicContact CB-CG2 4.24Å; C109-V112 VanDerWaalsContact O-CG2 3.24Å; C109-V112 WeakPolarHBondContact O-CG2 3.47Å; C109-V112 PolarHBondContact O-N 2.75Å; P110-V112 VanDerWaalsContact C-N 3.29Å; P110-V112 PolarHBondContact O-N 3.14Å; V112-L248 HydrophobicContact CG1-CB 4.45Å; V112-L248 HydrophobicContact CG1-CD2 3.83Å; V112-K251 HydrophobicContact CG1-CB 4.38Å; V112-K251 HydrophobicContact CG1-CD 4.21Å; V112-K251 HydrophobicContact CG1-CG 4.3Å; V112-K252 HydrophobicContact CB-CB 4.16Å; V112-K252 HydrophobicContact CG1-CB 4.21Å; V112-L255 HydrophobicContact CG2-CD1 4.02Å |
| 113 | A | 93.2 | Very high | 82 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -66.6 | 161.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P110 E111 W115 H439 T441 | P110-A113 VanDerWaalsContact O-CB 3.32Å; P110-A113 WeakPolarHBondContact O-CB 3.48Å; P110-A113 PolarHBondContact O-N 3.32Å; E111-A113 VanDerWaalsContact C-N 3.3Å; E111-A113 PolarHBondContact O-N 3Å; A113-W115 PolarHBondContact O-N 2.91Å; A113-H439 HydrophobicContact CB-CB 3.75Å; A113-T441 HydrophobicContact CB-CG2 3.87Å |
| 114 | V | 95 | Very high | 84.7 | Confident | 12 Ų | 12 | 35 Ų | 35 | 7% | 0.073 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 115.6 | 164.8 | 169.5 | 0 | 0 | 0 | 0 | 108.5 | R116 T437 H439 I440 T441 | V114-R116 HydrophobicContact CG1-CG 4.25Å; V114-T437 HydrophobicContact CB-CG2 4.12Å; V114-T437 HydrophobicContact CG2-CG2 3.75Å; V114-T437 WeakPolarHBondContact CG2-OG1 3.46Å; V114-H439 PolarHBondContact N-O 3.38Å; V114-I440 WeakPolarHBondContact O-CA 3.45Å; V114-T441 PolarHBondContact O-N 2.92Å |
| 115 | W | 97.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.7 | 177.2 | -75.2 | 74.2 | 0 | 0 | 0 | 110.1 | P110 A113 E123 I124 V129 I193 L197 T441 P443 | P110-W115 HydrophobicContact CB-CZ2 4.38Å; P110-W115 PolarHBondContact O-NE1 2.9Å; A113-W115 PolarHBondContact O-N 2.91Å; W115-E123 CarbonylContact O-C 3.6Å; W115-E123 VanDerWaalsContact O-CA 3.31Å; W115-E123 WeakPolarHBondContact O-CA 3.46Å; W115-E123 WeakPolarHBondContact O-CG 3.16Å; W115-I124 HydrophobicContact CB-CB 3.7Å; W115-I124 HydrophobicContact CB-CD1 4.29Å; W115-I124 HydrophobicContact CB-CG1 4.39Å; W115-I124 HydrophobicContact CB-CG2 4.4Å; W115-I124 HydrophobicContact CE3-CD1 4.46Å; W115-I124 PolarHBondContact O-N 3.46Å; W115-V129 HydrophobicContact CB-CG2 4.49Å; W115-V129 HydrophobicContact CD2-CG2 3.93Å; W115-V129 HydrophobicContact CG-CG2 3.87Å; W115-V129 HydrophobicContact CZ2-CG1 3.9Å; W115-I193 HydrophobicContact CE3-CG1 4.2Å; W115-I193 HydrophobicContact CH2-CG2 4.03Å; W115-I193 HydrophobicContact CZ3-CB 4.19Å; W115-I193 HydrophobicContact CZ3-CG1 3.95Å; W115-I193 HydrophobicContact CZ3-CG2 4.11Å; W115-L197 HydrophobicContact CH2-CD2 4.32Å; W115-L197 HydrophobicContact CH2-CG 4.39Å; W115-L197 HydrophobicContact CZ2-CD2 3.97Å; W115-L197 HydrophobicContact CZ2-CG 4.49Å; W115-T441 WeakPolarHBondContact CA-O 3.42Å; W115-T441 HydrophobicContact CB-CG2 4.45Å; W115-T441 HydrophobicContact CD2-CG2 3.33Å; W115-T441 HydrophobicContact CE3-CG2 3.85Å; W115-T441 HydrophobicContact CG-CG2 3.6Å; W115-T441 HydrophobicContact CH2-CG2 4.29Å; W115-T441 HydrophobicContact CZ2-CG2 3.81Å; W115-T441 HydrophobicContact CZ3-CG2 4.29Å; W115-P443 HydrophobicContact CE3-CG 4.4Å |
| 116 | R | 97.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 31.8 Ų | 31.8 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | 170.1 | -70 | -177.9 | 176.4 | -83.5 | -1.8 | 110 | V114 N118 G121 D434 T441 C442 P443 M492 Y493 | V114-R116 HydrophobicContact CG1-CG 4.25Å; R116-N118 PolarHBondContact O-N 3.27Å; R116-G121 PolarHBondContact NH1-O 3.22Å; R116-D434 IonicContact CZ-OD1 3.21Å; R116-D434 IonicContact CZ-OD2 3.63Å; R116-D434 IonicContact NE-OD1 2.84Å; R116-D434 IonicContact NE-OD2 3.65Å; R116-D434 PolarHBondContact NE-OD2 3.24Å; R116-D434 IonicContact NH2-OD1 3.84Å; R116-D434 PolarHBondContact NH2-OD1 3.16Å; R116-D434 IonicContact NH2-OD2 2.76Å; R116-D434 PolarHBondContact NH2-OD2 3.06Å; R116-T441 PolarHBondContact N-O 3.2Å; R116-C442 WeakPolarHBondContact O-CA 3Å; R116-C442 WeakPolarHBondContact O-CB 3.3Å; R116-P443 WeakPolarHBondContact O-CD 2.79Å; R116-M492 HydrophobicContact CB-CB 4Å; R116-M492 HydrophobicContact CB-CE 4.12Å; R116-M492 HydrophobicContact CB-CG 4.18Å; R116-Y493 VanDerWaalsContact CD-CE1 3.47Å; R116-Y493 VanDerWaalsContact NE-CE1 3.31Å |
| 117 | D | 96.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.118 | 19% | 0.193 | C | C | . | . | trans | -69.9 | 115.2 | 173.4 | 176.4 | 47.6 | 0 | 0 | 0 | 109.7 | K119 S120 G121 K122 I124 | D117-K119 PolarHBondContact O-N 2.82Å; D117-S120 WeakPolarHBondContact CB-OG 3.43Å; D117-S120 PolarHBondContact O-N 3.05Å; D117-S120 WeakPolarHBondContact OD2-CB 2.8Å; D117-S120 PolarHBondContact OD2-N 3.12Å; D117-S120 PolarHBondContact OD2-OG 3.12Å; D117-G121 WeakPolarHBondContact O-CA 3.34Å; D117-G121 PolarHBondContact O-N 3.07Å; D117-K122 PolarHBondContact N-O 3.1Å; D117-I124 HydrophobicContact CB-CD1 4.27Å | ||
| 118 | N | 95.2 | Very high | 93.3 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 20.1 | -177.4 | 63.8 | -35.4 | 0 | 0 | 0 | 114.2 | R116 C442 L488 G491 M492 | R116-N118 PolarHBondContact O-N 3.27Å; N118-C442 HydrophobicContact CB-CB 3.91Å; N118-L488 HydrophobicContact CB-CD2 4.46Å; N118-L488 WeakPolarHBondContact ND2-CD2 3.36Å; N118-G491 CarbonylContact C-O 3.55Å; N118-G491 WeakPolarHBondContact O-CA 3.24Å; N118-M492 HydrophobicContact CB-CG 3.74Å |
| 119 | K | 94.1 | Very high | 94.3 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 58% | 0.583 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | -40.3 | 175.5 | -66.4 | -62.4 | 173.9 | -164.5 | 0 | 112.2 | D117 | D117-K119 PolarHBondContact O-N 2.82Š|
| 120 | S | 94.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 47% | 0.469 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -13.2 | 178.8 | 61.2 | 0 | 0 | 0 | 0 | 114.4 | D117 K122 | D117-S120 WeakPolarHBondContact CB-OG 3.43Å; D117-S120 PolarHBondContact O-N 3.05Å; D117-S120 WeakPolarHBondContact OD2-CB 2.8Å; D117-S120 PolarHBondContact OD2-N 3.12Å; D117-S120 PolarHBondContact OD2-OG 3.12Å; S120-K122 PolarHBondContact O-N 3.48Å; S120-K122 WeakPolarHBondContact OG-CB 3.42Å; S120-K122 PolarHBondContact OG-N 3.34Å |
| 121 | G | 95.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 9% | 0.093 | 21% | 0.214 | C | C | . | . | trans | 71.5 | -5.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R116 D117 G491 M492 | R116-G121 PolarHBondContact NH1-O 3.22Å; D117-G121 WeakPolarHBondContact O-CA 3.34Å; D117-G121 PolarHBondContact O-N 3.07Å; G121-G491 PolarHBondContact N-O 2.94Å; G121-M492 WeakPolarHBondContact CA-O 3.17Å | ||
| 122 | K | 96.2 | Very high | 95.1 | Very high | 138 Ų | 138 | 41.5 Ų | 41.5 | 60% | 0.6 | 21% | 0.214 | S | C | * | . | trans | -70.4 | 133.2 | -177 | -171 | -173.7 | 175.2 | -179.4 | 0 | 110.7 | D117 S120 R189 | D117-K122 PolarHBondContact N-O 3.1Å; S120-K122 PolarHBondContact O-N 3.48Å; S120-K122 WeakPolarHBondContact OG-CB 3.42Å; S120-K122 PolarHBondContact OG-N 3.34Å; K122-R189 PolarHBondContact O-NH2 3.21Å | ||
| 123 | E | 96.5 | Very high | 95.1 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 42% | 0.421 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 144.8 | 170.6 | -166.6 | 175.1 | 159.2 | 0 | 0 | 111.2 | W115 | W115-E123 CarbonylContact O-C 3.6Å; W115-E123 VanDerWaalsContact O-CA 3.31Å; W115-E123 WeakPolarHBondContact O-CA 3.46Å; W115-E123 WeakPolarHBondContact O-CG 3.16Å |
| 124 | I | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.5 | 178.5 | -61.1 | 169.1 | 0 | 0 | 0 | 107.3 | W115 D117 E128 V129 R189 I193 P443 | W115-I124 HydrophobicContact CB-CB 3.7Å; W115-I124 HydrophobicContact CB-CD1 4.29Å; W115-I124 HydrophobicContact CB-CG1 4.39Å; W115-I124 HydrophobicContact CB-CG2 4.4Å; W115-I124 HydrophobicContact CE3-CD1 4.46Å; W115-I124 PolarHBondContact O-N 3.46Å; D117-I124 HydrophobicContact CB-CD1 4.27Å; I124-E128 HydrophobicContact CG2-CB 4.09Å; I124-E128 HydrophobicContact CG2-CG 4.16Å; I124-V129 HydrophobicContact CG2-CG2 3.76Å; I124-R189 HydrophobicContact CD1-CG 4.2Å; I124-R189 VanDerWaalsContact CG1-CZ 3.49Å; I124-I193 HydrophobicContact CD1-CD1 4.36Å; I124-I193 HydrophobicContact CD1-CG1 4.47Å; I124-I193 HydrophobicContact CG2-CD1 3.87Å; I124-P443 HydrophobicContact CD1-CG 3.35Å |
| 125 | G | 95.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 44% | 0.443 | 22% | 0.215 | S | C | . | . | trans | -70.9 | 153.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E127 E128 V129 | G125-E127 VanDerWaalsContact C-N 3.26Å; G125-E127 PolarHBondContact O-N 2.88Å; G125-E128 PolarHBondContact O-N 3.35Å; G125-V129 PolarHBondContact O-N 3.37Å | ||
| 126 | L | 92.5 | Very high | 95 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.1 | -37.7 | -179.6 | -173.4 | 63.5 | 0 | 0 | 0 | 113 | E111 V129 A130 L245 L248 Q249 | E111-L126 HydrophobicContact CB-CD1 4.43Å; E111-L126 WeakPolarHBondContact O-CD1 3.27Å; L126-V129 PolarHBondContact O-N 3.39Å; L126-A130 WeakPolarHBondContact O-CB 3.19Å; L126-A130 PolarHBondContact O-N 3.03Å; L126-L245 HydrophobicContact CG-CD2 4.38Å; L126-L248 HydrophobicContact CD1-CB 4.2Å; L126-L248 HydrophobicContact CD1-CD1 3.99Å; L126-L248 HydrophobicContact CD2-CB 3.87Å; L126-L248 HydrophobicContact CG-CB 4.37Å; L126-L248 HydrophobicContact CG-CD1 4.36Å; L126-Q249 HydrophobicContact CD2-CB 4.31Å |
| 127 | E | 94.5 | Very high | 94.7 | Very high | 129 Ų | 129 | 40.7 Ų | 40.7 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.7 | -44 | 178.7 | -173.6 | 173.7 | -165.3 | 0 | 0 | 112.3 | G125 V129 A130 D131 L245 | G125-E127 VanDerWaalsContact C-N 3.26Å; G125-E127 PolarHBondContact O-N 2.88Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.45Å; E127-A130 PolarHBondContact O-N 2.95Å; E127-D131 PolarHBondContact O-N 2.82Å; E127-L245 HydrophobicContact CG-CD1 4.39Å |
| 128 | E | 96.2 | Very high | 94.6 | Very high | 61 Ų | 61 | 40 Ų | 40 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.9 | -172.8 | 178.8 | 174.4 | 0 | 0 | 111 | I124 G125 I132 R189 I193 | I124-E128 HydrophobicContact CG2-CB 4.09Å; I124-E128 HydrophobicContact CG2-CG 4.16Å; G125-E128 PolarHBondContact O-N 3.35Å; E128-I132 WeakPolarHBondContact O-CG1 3.36Å; E128-I132 PolarHBondContact O-N 3.18Å; E128-R189 WeakPolarHBondContact OE1-CD 3.46Å; E128-R189 IonicContact OE1-NH1 3.93Å; E128-R189 IonicContact OE2-NH1 3.67Å; E128-R189 PolarHBondContact OE2-NH1 3.01Å; E128-I193 HydrophobicContact CG-CD1 4.1Å |
| 129 | V | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | E111 W115 I124 G125 L126 E127 D131 I132 S133 I193 L197 | E111-V129 HydrophobicContact CB-CG1 4.33Å; E111-V129 HydrophobicContact CG-CG1 4.07Å; W115-V129 HydrophobicContact CB-CG2 4.49Å; W115-V129 HydrophobicContact CD2-CG2 3.93Å; W115-V129 HydrophobicContact CG-CG2 3.87Å; W115-V129 HydrophobicContact CZ2-CG1 3.9Å; I124-V129 HydrophobicContact CG2-CG2 3.76Å; G125-V129 PolarHBondContact O-N 3.37Å; L126-V129 PolarHBondContact O-N 3.39Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 3.45Å; V129-D131 PolarHBondContact O-N 2.91Å; V129-I132 PolarHBondContact O-N 2.94Å; V129-S133 PolarHBondContact O-N 2.83Å; V129-I193 HydrophobicContact CG1-CG2 4.17Å; V129-L197 HydrophobicContact CG1-CD1 4.39Å; V129-L197 HydrophobicContact CG1-CD2 4.31Å |
| 130 | A | 92.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L126 E127 I132 S133 F134 Y244 L245 L248 | L126-A130 WeakPolarHBondContact O-CB 3.19Å; L126-A130 PolarHBondContact O-N 3.03Å; E127-A130 PolarHBondContact O-N 2.95Å; A130-I132 VanDerWaalsContact C-N 3.26Å; A130-I132 PolarHBondContact O-N 3.06Å; A130-S133 WeakPolarHBondContact O-CA 3.42Å; A130-S133 WeakPolarHBondContact O-CB 3.28Å; A130-S133 PolarHBondContact O-N 3.43Å; A130-F134 HydrophobicContact CB-CE2 4.25Å; A130-F134 HydrophobicContact CB-CZ 4.48Å; A130-F134 WeakPolarHBondContact O-CD2 3.32Å; A130-F134 WeakPolarHBondContact O-CG 3.48Å; A130-F134 PolarHBondContact O-N 2.86Å; A130-Y244 HydrophobicContact CB-CD1 4.27Å; A130-Y244 HydrophobicContact CB-CE1 4.04Å; A130-L245 HydrophobicContact CB-CD2 3.56Å; A130-L245 HydrophobicContact CB-CG 4.45Å; A130-L248 HydrophobicContact CB-CD1 4.33Å |
| 131 | D | 93.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 30 Ų | 30 | 34% | 0.337 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.8 | -37.3 | 176.9 | -90.2 | -25.6 | 0 | 0 | 0 | 112.6 | E127 V129 L135 K241 | E127-D131 PolarHBondContact O-N 2.82Å; V129-D131 PolarHBondContact O-N 2.91Å; D131-L135 PolarHBondContact O-N 2.68Å; D131-K241 IonicContact OD1-NZ 2.69Å; D131-K241 PolarHBondContact OD1-NZ 3.15Å |
| 132 | I | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75.3 | -31.2 | 174.6 | -59.8 | -59.6 | 0 | 0 | 0 | 112 | E128 V129 A130 L135 L136 L186 E190 I193 F194 L197 | E128-I132 WeakPolarHBondContact O-CG1 3.36Å; E128-I132 PolarHBondContact O-N 3.18Å; V129-I132 PolarHBondContact O-N 2.94Å; A130-I132 VanDerWaalsContact C-N 3.26Å; A130-I132 PolarHBondContact O-N 3.06Å; I132-L135 WeakPolarHBondContact O-CB 3.43Å; I132-L135 PolarHBondContact O-N 2.58Å; I132-L136 PolarHBondContact O-N 2.9Å; I132-L186 HydrophobicContact CD1-CD2 4.34Å; I132-E190 HydrophobicContact CD1-CB 3.76Å; I132-E190 HydrophobicContact CD1-CG 3.9Å; I132-E190 HydrophobicContact CG1-CB 4.4Å; I132-E190 HydrophobicContact CG1-CG 4.48Å; I132-I193 HydrophobicContact CB-CB 4.38Å; I132-I193 HydrophobicContact CB-CG2 3.78Å; I132-I193 HydrophobicContact CG1-CB 4.4Å; I132-I193 HydrophobicContact CG1-CG2 4.2Å; I132-I193 HydrophobicContact CG2-CB 4.1Å; I132-I193 HydrophobicContact CG2-CG2 3.77Å; I132-F194 VanDerWaalsContact CG2-CA 3.46Å; I132-F194 HydrophobicContact CG2-CB 3.62Å; I132-F194 HydrophobicContact CG2-CD2 4.15Å; I132-F194 HydrophobicContact CG2-CG 4.39Å; I132-L197 HydrophobicContact CB-CD1 4.46Å; I132-L197 HydrophobicContact CG2-CD1 4.23Å |
| 133 | S | 92.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 171.5 | -159.4 | 0 | 0 | 0 | 0 | 111.2 | E111 V129 A130 L135 L136 D137 | E111-S133 PolarHBondContact OE1-OG 3.37Å; V129-S133 PolarHBondContact O-N 2.83Å; A130-S133 WeakPolarHBondContact O-CA 3.42Å; A130-S133 WeakPolarHBondContact O-CB 3.28Å; A130-S133 PolarHBondContact O-N 3.43Å; S133-L135 VanDerWaalsContact C-N 3.29Å; S133-L135 PolarHBondContact O-N 3.23Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 2.86Å; S133-L136 VanDerWaalsContact O-N 3.08Å; S133-D137 PolarHBondContact O-N 3.29Å |
| 134 | F | 92.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 174.3 | -57.8 | -43.3 | 0 | 0 | 0 | 113.1 | A130 D137 R138 P236 K241 Y244 | A130-F134 HydrophobicContact CB-CE2 4.25Å; A130-F134 HydrophobicContact CB-CZ 4.48Å; A130-F134 WeakPolarHBondContact O-CD2 3.32Å; A130-F134 WeakPolarHBondContact O-CG 3.48Å; A130-F134 PolarHBondContact O-N 2.86Å; F134-D137 PolarHBondContact O-N 2.83Å; F134-R138 WeakPolarHBondContact O-CB 3.5Å; F134-R138 PolarHBondContact O-N 3.22Å; F134-P236 HydrophobicContact CB-CG 4.11Å; F134-P236 HydrophobicContact CD1-CG 3.78Å; F134-P236 HydrophobicContact CD2-CG 4Å; F134-P236 HydrophobicContact CE1-CG 4.13Å; F134-P236 HydrophobicContact CE2-CG 4.37Å; F134-P236 HydrophobicContact CG-CG 3.7Å; F134-P236 HydrophobicContact CZ-CG 4.41Å; F134-K241 HydrophobicContact CD2-CD 4.25Å; F134-K241 HydrophobicContact CD2-CG 4.15Å; F134-K241 HydrophobicContact CE2-CB 4.11Å; F134-K241 HydrophobicContact CE2-CD 3.99Å; F134-K241 HydrophobicContact CE2-CG 3.63Å; F134-K241 HydrophobicContact CZ-CB 4.29Å; F134-K241 HydrophobicContact CZ-CG 4.05Å; F134-Y244 AromaticContact CE1-CD1 3.49Å; F134-Y244 HydrophobicContact CE1-CD1 3.49Å; F134-Y244 VanDerWaalsContact CE1-CD1 3.49Å; F134-Y244 HydrophobicContact CE1-CD2 4.48Å; F134-Y244 AromaticContact CE1-CE1 3.89Å; F134-Y244 HydrophobicContact CE1-CE1 3.89Å; F134-Y244 AromaticContact CE1-CG 3.81Å; F134-Y244 HydrophobicContact CE1-CG 3.81Å; F134-Y244 HydrophobicContact CE2-CD1 4.45Å; F134-Y244 AromaticContact CZ-CD1 3.34Å; F134-Y244 HydrophobicContact CZ-CD1 3.34Å; F134-Y244 HydrophobicContact CZ-CE1 4Å; F134-Y244 AromaticContact CZ-CG 3.88Å; F134-Y244 HydrophobicContact CZ-CG 3.88Å |
| 135 | L | 95.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.2 | 178 | 62.6 | 0 | 0 | 0 | 111.4 | D131 I132 S133 R138 C139 L168 C171 L172 L175 L186 F194 | D131-L135 PolarHBondContact O-N 2.68Å; I132-L135 WeakPolarHBondContact O-CB 3.43Å; I132-L135 PolarHBondContact O-N 2.58Å; S133-L135 VanDerWaalsContact C-N 3.29Å; S133-L135 PolarHBondContact O-N 3.23Å; L135-R138 PolarHBondContact O-N 3.3Å; L135-C139 PolarHBondContact O-N 2.86Å; L135-C139 PolarHBondContact O-SG 3.38Å; L135-L168 HydrophobicContact CD1-CD1 4.44Å; L135-L168 HydrophobicContact CD2-CD1 3.95Å; L135-L168 HydrophobicContact CG-CD1 4.2Å; L135-C171 HydrophobicContact CD1-CB 4.23Å; L135-L172 HydrophobicContact CD1-CD2 4.36Å; L135-L172 HydrophobicContact CD2-CD2 3.89Å; L135-L175 HydrophobicContact CD1-CD1 4.02Å; L135-L186 HydrophobicContact CD2-CD1 4.26Å; L135-L186 HydrophobicContact CD2-CD2 3.78Å; L135-L186 HydrophobicContact CD2-CG 4.49Å; L135-F194 HydrophobicContact CD2-CD2 4.3Å; L135-F194 HydrophobicContact CG-CD2 4.39Å; L135-F194 HydrophobicContact CG-CE2 4.26Å |
| 136 | L | 94.5 | Very high | 93 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 174.9 | 174.9 | 60.7 | 0 | 0 | 0 | 110.8 | I132 S133 R138 C139 L140 F194 L197 F198 Y201 | I132-L136 PolarHBondContact O-N 2.9Å; S133-L136 WeakPolarHBondContact O-CB 3.43Å; S133-L136 PolarHBondContact O-N 2.86Å; S133-L136 VanDerWaalsContact O-N 3.08Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-C139 WeakPolarHBondContact O-CA 3.45Å; L136-C139 WeakPolarHBondContact O-CB 3.42Å; L136-C139 PolarHBondContact O-N 3.49Å; L136-L140 HydrophobicContact CD1-CD1 4.37Å; L136-L140 HydrophobicContact CD1-CD2 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 4.2Å; L136-L140 HydrophobicContact CG-CG 4.44Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å; L136-F194 HydrophobicContact CB-CD2 4.35Å; L136-F194 HydrophobicContact CB-CE2 4.04Å; L136-F194 HydrophobicContact CD1-CE2 4.08Å; L136-F194 HydrophobicContact CD1-CZ 3.92Å; L136-L197 HydrophobicContact CD2-CB 3.79Å; L136-F198 HydrophobicContact CD1-CB 4.04Å; L136-F198 HydrophobicContact CD1-CD2 4.07Å; L136-F198 HydrophobicContact CD2-CB 4.34Å; L136-Y201 HydrophobicContact CD2-CD2 4.26Å |
| 137 | D | 91.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 177.5 | -78 | -15.1 | 0 | 0 | 0 | 111.8 | S133 F134 C139 L140 L141 F221 F882 | S133-D137 PolarHBondContact O-N 3.29Å; F134-D137 PolarHBondContact O-N 2.83Å; D137-C139 VanDerWaalsContact C-N 3.31Å; D137-C139 PolarHBondContact O-N 2.91Å; D137-L140 WeakPolarHBondContact O-CB 3.37Å; D137-L140 PolarHBondContact O-N 3.13Å; D137-L140 VanDerWaalsContact O-N 3.13Å; D137-L141 WeakPolarHBondContact O-CG 3.41Å; D137-L141 PolarHBondContact O-N 2.98Å; D137-F221 HydrophobicContact CB-CE1 4.42Å; D137-F882 HydrophobicContact CB-CE1 4.38Å |
| 138 | R | 94.5 | Very high | 91.5 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.8 | -43.5 | 174.8 | -174.5 | -177.6 | -73.1 | -83.9 | 4.8 | 112 | F134 L135 L136 L140 L141 Y142 C171 L229 A230 N232 Q235 | F134-R138 WeakPolarHBondContact O-CB 3.5Å; F134-R138 PolarHBondContact O-N 3.22Å; L135-R138 PolarHBondContact O-N 3.3Å; L136-R138 VanDerWaalsContact C-N 3.3Å; L136-R138 PolarHBondContact O-N 2.93Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 3.5Å; R138-L141 PolarHBondContact O-N 3.21Å; R138-Y142 WeakPolarHBondContact O-CB 3.37Å; R138-Y142 PolarHBondContact O-N 3.46Å; R138-C171 HydrophobicContact CG-CB 4.3Å; R138-L229 PolarHBondContact NH1-O 2.98Å; R138-A230 HydrophobicContact CG-CB 4.38Å; R138-A230 PolarHBondContact NH1-O 3.43Å; R138-N232 VanDerWaalsContact CZ-O 3.3Å; R138-N232 PolarHBondContact NH1-O 3.34Å; R138-N232 PolarHBondContact NH2-O 2.92Å; R138-Q235 PolarHBondContact NH2-O 2.74Å |
| 139 | C | 95.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | L135 L136 D137 Y142 I143 L164 A167 F194 | L135-C139 PolarHBondContact O-N 2.86Å; L135-C139 PolarHBondContact O-SG 3.38Å; L136-C139 WeakPolarHBondContact O-CA 3.45Å; L136-C139 WeakPolarHBondContact O-CB 3.42Å; L136-C139 PolarHBondContact O-N 3.49Å; D137-C139 VanDerWaalsContact C-N 3.31Å; D137-C139 PolarHBondContact O-N 2.91Å; C139-Y142 WeakPolarHBondContact O-CB 3.23Å; C139-Y142 PolarHBondContact O-N 3.11Å; C139-I143 WeakPolarHBondContact O-CD1 3.27Å; C139-I143 VanDerWaalsContact O-CG1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.38Å; C139-I143 PolarHBondContact O-N 2.84Å; C139-L164 HydrophobicContact CB-CD1 4.17Å; C139-A167 HydrophobicContact CB-CB 4.37Å; C139-F194 HydrophobicContact CB-CZ 4.48Å |
| 140 | L | 92.5 | Very high | 88.9 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.6 | -65.5 | 178 | 0 | 0 | 0 | 111.8 | L136 D137 R138 Y142 I143 L144 I202 L215 L217 F221 | L136-L140 HydrophobicContact CD1-CD1 4.37Å; L136-L140 HydrophobicContact CD1-CD2 4.46Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 4.2Å; L136-L140 HydrophobicContact CG-CG 4.44Å; L136-L140 WeakPolarHBondContact O-CG 3.35Å; L136-L140 PolarHBondContact O-N 3Å; D137-L140 WeakPolarHBondContact O-CB 3.37Å; D137-L140 PolarHBondContact O-N 3.13Å; D137-L140 VanDerWaalsContact O-N 3.13Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 3.5Å; L140-Y142 VanDerWaalsContact C-N 3.35Å; L140-I143 PolarHBondContact O-N 3.22Å; L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.4Å; L140-I202 HydrophobicContact CD1-CD1 3.91Å; L140-I202 HydrophobicContact CD1-CG1 4.16Å; L140-I202 HydrophobicContact CD2-CD1 4.25Å; L140-I202 HydrophobicContact CD2-CG1 4.11Å; L140-L215 HydrophobicContact CD2-CD1 3.7Å; L140-L217 HydrophobicContact CB-CD1 3.74Å; L140-L217 HydrophobicContact CD1-CD1 4.07Å; L140-L217 HydrophobicContact CG-CD1 4.33Å; L140-F221 HydrophobicContact CB-CE1 4.42Å; L140-F221 HydrophobicContact CD1-CE1 4.49Å |
| 141 | L | 91.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.5 | -67 | 174.6 | 0 | 0 | 0 | 111.5 | D137 R138 I143 L144 M145 F221 D224 A225 A230 F882 | D137-L141 WeakPolarHBondContact O-CG 3.41Å; D137-L141 PolarHBondContact O-N 2.98Å; R138-L141 PolarHBondContact O-N 3.21Å; L141-I143 VanDerWaalsContact C-N 3.31Å; L141-I143 PolarHBondContact O-N 2.96Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.36Å; L141-M145 VanDerWaalsContact O-CG 3.27Å; L141-M145 WeakPolarHBondContact O-CG 3.47Å; L141-M145 PolarHBondContact O-N 2.91Å; L141-F221 HydrophobicContact CD2-CB 4.26Å; L141-F221 HydrophobicContact CD2-CD1 3.68Å; L141-F221 HydrophobicContact CD2-CE1 4.46Å; L141-F221 HydrophobicContact CD2-CG 4.32Å; L141-F221 VanDerWaalsContact CD2-O 3.28Å; L141-F221 WeakPolarHBondContact CD2-O 3.39Å; L141-F221 HydrophobicContact CG-CD1 4.21Å; L141-D224 HydrophobicContact CD1-CB 4.14Å; L141-D224 HydrophobicContact CD2-CB 3.66Å; L141-A225 HydrophobicContact CD2-CB 4.19Å; L141-A230 HydrophobicContact CB-CB 3.71Å; L141-F882 HydrophobicContact CD1-CE1 3.75Å; L141-F882 HydrophobicContact CD1-CE2 4.39Å; L141-F882 HydrophobicContact CD1-CZ 3.45Å; L141-F882 VanDerWaalsContact CD1-CZ 3.45Å |
| 142 | Y | 94.3 | Very high | 85 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 28% | 0.275 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.8 | -171.5 | -83 | 0 | 0 | 0 | 111.8 | R138 C139 L140 M145 A146 A167 S170 L231 | R138-Y142 WeakPolarHBondContact O-CB 3.37Å; R138-Y142 PolarHBondContact O-N 3.46Å; C139-Y142 WeakPolarHBondContact O-CB 3.23Å; C139-Y142 PolarHBondContact O-N 3.11Å; L140-Y142 VanDerWaalsContact C-N 3.35Å; Y142-M145 PolarHBondContact O-N 3.23Å; Y142-A146 WeakPolarHBondContact O-CB 3.35Å; Y142-A146 PolarHBondContact O-N 3.46Å; Y142-A167 HydrophobicContact CD1-CB 3.74Å; Y142-A167 HydrophobicContact CE1-CB 4.5Å; Y142-A167 HydrophobicContact CG-CB 4.39Å; Y142-S170 PolarHBondContact OH-OG 3Å; Y142-L231 HydrophobicContact CD2-CD2 4.11Å; Y142-L231 HydrophobicContact CE2-CD2 3.94Å |
| 143 | I | 93.1 | Very high | 82.6 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.5 | -66.9 | 164.1 | 0 | 0 | 0 | 110.8 | C139 L140 L141 A146 A147 L160 A163 L164 A167 P213 | C139-I143 WeakPolarHBondContact O-CD1 3.27Å; C139-I143 VanDerWaalsContact O-CG1 3.23Å; C139-I143 WeakPolarHBondContact O-CG1 3.38Å; C139-I143 PolarHBondContact O-N 2.84Å; L140-I143 PolarHBondContact O-N 3.22Å; L141-I143 VanDerWaalsContact C-N 3.31Å; L141-I143 PolarHBondContact O-N 2.96Å; I143-A146 PolarHBondContact O-N 3.15Å; I143-A147 WeakPolarHBondContact O-CB 3.36Å; I143-A147 PolarHBondContact O-N 3.44Å; I143-L160 HydrophobicContact CD1-CD1 3.81Å; I143-L160 HydrophobicContact CG2-CD1 4.27Å; I143-A163 HydrophobicContact CD1-CB 4.49Å; I143-A163 HydrophobicContact CG1-CB 4.35Å; I143-A163 HydrophobicContact CG2-CB 4.32Å; I143-L164 HydrophobicContact CD1-CB 4.29Å; I143-L164 HydrophobicContact CD1-CD1 3.93Å; I143-A167 HydrophobicContact CD1-CB 3.99Å; I143-A167 HydrophobicContact CG1-CB 3.56Å; I143-P213 HydrophobicContact CG2-CB 4.23Å; I143-P213 WeakPolarHBondContact CG2-O 3.28Å |
| 144 | L | 88.6 | Confident | 80.4 | Confident | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.3 | -73 | 177.5 | 0 | 0 | 0 | 111.8 | L140 L141 A147 D148 L215 L217 F221 A225 | L140-L144 WeakPolarHBondContact O-CG 3.24Å; L140-L144 PolarHBondContact O-N 3.4Å; L141-L144 WeakPolarHBondContact O-CB 3.33Å; L141-L144 PolarHBondContact O-N 3.36Å; L144-A147 PolarHBondContact O-N 3.48Å; L144-D148 PolarHBondContact O-N 3.28Å; L144-D148 VanDerWaalsContact O-N 3.13Å; L144-L215 HydrophobicContact CD2-CB 4.09Å; L144-L215 VanDerWaalsContact CD2-O 3.27Å; L144-L215 WeakPolarHBondContact CD2-O 3.43Å; L144-L217 HydrophobicContact CD1-CD1 3.98Å; L144-L217 HydrophobicContact CD1-CG 4.47Å; L144-F221 HydrophobicContact CD1-CB 3.96Å; L144-A225 HydrophobicContact CB-CB 3.74Å; L144-A225 HydrophobicContact CD1-CB 4.25Å |
| 145 | M | 90 | Very high | 78.3 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 176.1 | -69.8 | 170.5 | 62.6 | 0 | 0 | 111.7 | L141 Y142 A147 D148 Q149 A225 A230 L231 | L141-M145 VanDerWaalsContact O-CG 3.27Å; L141-M145 WeakPolarHBondContact O-CG 3.47Å; L141-M145 PolarHBondContact O-N 2.91Å; Y142-M145 PolarHBondContact O-N 3.23Å; M145-A147 VanDerWaalsContact C-N 3.28Å; M145-A147 PolarHBondContact O-N 3.19Å; M145-D148 PolarHBondContact O-N 2.94Å; M145-Q149 PolarHBondContact O-N 3.19Å; M145-A225 HydrophobicContact CG-CB 3.97Å; M145-A225 WeakPolarHBondContact CG-O 3.3Å; M145-A230 HydrophobicContact SD-CB 3.49Å; M145-A230 WeakPolarHBondContact SD-CB 3.17Å; M145-L231 HydrophobicContact CE-CD1 3.7Å; M145-L231 HydrophobicContact CE-CG 3.8Å |
| 146 | A | 87.1 | Confident | 76.3 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -30.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y142 I143 K150 | Y142-A146 WeakPolarHBondContact O-CB 3.35Å; Y142-A146 PolarHBondContact O-N 3.46Å; I143-A146 PolarHBondContact O-N 3.15Å; A146-K150 WeakPolarHBondContact O-CG 3.36Å |
| 147 | A | 80.5 | Confident | 74.7 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.6 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I143 L144 M145 | I143-A147 WeakPolarHBondContact O-CB 3.36Å; I143-A147 PolarHBondContact O-N 3.44Å; L144-A147 PolarHBondContact O-N 3.48Å; M145-A147 VanDerWaalsContact C-N 3.28Å; M145-A147 PolarHBondContact O-N 3.19Å |
| 148 | D | 74.5 | Confident | 74.2 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -75.2 | -38.8 | 179.9 | -162.9 | 54 | 0 | 0 | 0 | 112.7 | L144 M145 K150 K151 | L144-D148 PolarHBondContact O-N 3.28Å; L144-D148 VanDerWaalsContact O-N 3.13Å; M145-D148 PolarHBondContact O-N 2.94Å; D148-K150 PolarHBondContact O-N 3.47Å; D148-K151 WeakPolarHBondContact O-CG 3.44Å; D148-K151 PolarHBondContact O-N 2.83Å; D148-K151 WeakPolarHBondContact OD1-CE 3.49Å; D148-K151 IonicContact OD1-NZ 2.85Å; D148-K151 PolarHBondContact OD1-NZ 2.73Å; D148-K151 IonicContact OD2-NZ 3.62Å |
| 149 | Q | 71.2 | Confident | 74 | Confident | 157 Ų | 157 | 83.7 Ų | 83.7 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.3 | -30.1 | 175.6 | -69.7 | 177.4 | -4.1 | 0 | 0 | 112.6 | M145 K151 | M145-Q149 PolarHBondContact O-N 3.19Å; Q149-K151 VanDerWaalsContact C-N 3.32Å; Q149-K151 PolarHBondContact O-N 3.4Å |
| 150 | K | 64.6 | Low | 73.8 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 16.4 | -175.6 | -69.7 | -175.8 | -177.5 | -175.9 | 0 | 114.7 | A146 D148 Q152 E153 | A146-K150 WeakPolarHBondContact O-CG 3.36Å; D148-K150 PolarHBondContact O-N 3.47Å; K150-Q152 PolarHBondContact O-N 3.07Å; K150-E153 PolarHBondContact O-N 2.73Å |
| 151 | K | 56.7 | Low | 73.9 | Confident | 163 Ų | 163 | 85.4 Ų | 85.4 | 71% | 0.709 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -18.1 | 175.7 | -89.1 | 170.4 | 172.5 | 156.3 | 0 | 114.5 | D148 Q149 | D148-K151 WeakPolarHBondContact O-CG 3.44Å; D148-K151 PolarHBondContact O-N 2.83Å; D148-K151 WeakPolarHBondContact OD1-CE 3.49Å; D148-K151 IonicContact OD1-NZ 2.85Å; D148-K151 PolarHBondContact OD1-NZ 2.73Å; D148-K151 IonicContact OD2-NZ 3.62Å; Q149-K151 VanDerWaalsContact C-N 3.32Å; Q149-K151 PolarHBondContact O-N 3.4Å |
| 152 | Q | 47.9 | Very low | 73.9 | Confident | 193 Ų | 193 | 89.1 Ų | 89.1 | 90% | 0.902 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -15.2 | 178.3 | -69.1 | -161.8 | -12.2 | 0 | 0 | 116.3 | K150 | K150-Q152 PolarHBondContact O-N 3.07Š|
| 153 | E | 46.5 | Very low | 73.8 | Confident | 147 Ų | 147 | 87 Ų | 87 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -95.9 | 129.1 | -175.6 | -75.6 | -175.1 | 164 | 0 | 0 | 111.9 | K150 | K150-E153 PolarHBondContact O-N 2.73Š|
| 154 | N | 46 | Very low | 73.9 | Confident | 152 Ų | 152 | 87.3 Ų | 87.3 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | trans | -32 | 149.4 | -175.6 | -93.8 | -33.4 | 0 | 0 | 0 | 116.7 | S156 | N154-S156 PolarHBondContact O-N 2.98Š| ||
| 155 | R | 48.9 | Very low | 74.3 | Confident | 253 Ų | 253 | 90 Ų | 90 | 96% | 0.955 | 47% | 0.469 | S | S | * | . | trans | -50.2 | 54.3 | 175.1 | -63.3 | 178.3 | 178.6 | 173.4 | 0.7 | 115.2 | S157 | R155-S157 PolarHBondContact O-N 3.42Š| ||
| 156 | S | 52.3 | Low | 74.5 | Confident | 71 Ų | 71 | 91.7 Ų | 91.7 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -59.2 | 135.3 | 170.4 | 62.8 | 0 | 0 | 0 | 0 | 107.9 | N154 K158 | N154-S156 PolarHBondContact O-N 2.98Å; S156-K158 PolarHBondContact O-N 3.29Å; S156-K158 VanDerWaalsContact OG-CD 3.3Å; S156-K158 WeakPolarHBondContact OG-CD 3.39Å; S156-K158 WeakPolarHBondContact OG-CE 3.22Å; S156-K158 WeakPolarHBondContact OG-CG 3.06Å | ||
| 157 | S | 62.1 | Low | 74.9 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 79% | 0.79 | 47% | 0.473 | S | S | * | . | trans | -71.4 | 42.5 | 178.1 | 76.9 | 0 | 0 | 0 | 0 | 111.6 | R155 T159 | R155-S157 PolarHBondContact O-N 3.42Å; S157-T159 PolarHBondContact O-N 3.18Å | ||
| 158 | K | 79.6 | Confident | 75.7 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 44% | 0.443 | 46% | 0.462 | S | S | . | . | trans | -68.6 | 129.6 | 178.5 | -75.4 | -180 | -175.1 | -179.3 | 0 | 108.4 | S156 P213 | S156-K158 PolarHBondContact O-N 3.29Å; S156-K158 VanDerWaalsContact OG-CD 3.3Å; S156-K158 WeakPolarHBondContact OG-CD 3.39Å; S156-K158 WeakPolarHBondContact OG-CE 3.22Å; S156-K158 WeakPolarHBondContact OG-CG 3.06Å; K158-P213 HydrophobicContact CB-CG 4.48Å; K158-P213 WeakPolarHBondContact O-CD 3.37Å | ||
| 159 | T | 90.9 | Very high | 76.8 | Confident | 25 Ų | 25 | 92 Ų | 92 | 15% | 0.153 | 47% | 0.472 | C | S | . | . | trans | -111.9 | 165.5 | 176 | 66.1 | 0 | 0 | 0 | 0 | 108.4 | S157 A161 T162 A163 H209 L211 V525 | S157-T159 PolarHBondContact O-N 3.18Å; T159-A161 PolarHBondContact O-N 3.46Å; T159-T162 PolarHBondContact N-OG1 2.82Å; T159-T162 PolarHBondContact O-N 3.3Å; T159-T162 PolarHBondContact O-OG1 2.8Å; T159-A163 PolarHBondContact O-N 3.18Å; T159-A163 VanDerWaalsContact O-N 3.15Å; T159-H209 WeakPolarHBondContact CG2-O 3.35Å; T159-L211 WeakPolarHBondContact CA-O 3.16Å; T159-V525 HydrophobicContact CG2-CG2 4.26Å | ||
| 160 | L | 92.1 | Very high | 78 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.8 | -27.1 | 176.4 | -166 | 64 | 0 | 0 | 0 | 112.3 | I143 T162 A163 L164 F198 I202 A208 L211 L215 | I143-L160 HydrophobicContact CD1-CD1 3.81Å; I143-L160 HydrophobicContact CG2-CD1 4.27Å; L160-T162 PolarHBondContact O-N 2.89Å; L160-A163 PolarHBondContact O-N 2.95Å; L160-L164 VanDerWaalsContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CB 3.27Å; L160-L164 PolarHBondContact O-N 3.29Å; L160-F198 HydrophobicContact CD2-CE2 3.65Å; L160-F198 HydrophobicContact CD2-CZ 3.7Å; L160-F198 HydrophobicContact CG-CE2 4.27Å; L160-F198 HydrophobicContact CG-CZ 4.23Å; L160-I202 HydrophobicContact CD2-CG2 3.42Å; L160-I202 VanDerWaalsContact CD2-CG2 3.42Å; L160-A208 PolarHBondContact N-O 3.19Å; L160-L211 HydrophobicContact CB-CB 3.93Å; L160-L211 HydrophobicContact CD2-CB 4.12Å; L160-L211 HydrophobicContact CD2-CD1 4.09Å; L160-L211 PolarHBondContact N-O 3.15Å; L160-L215 HydrophobicContact CD1-CD1 4.1Å; L160-L215 HydrophobicContact CD1-CD2 4.34Å; L160-L215 HydrophobicContact CD1-CG 4.42Å; L160-L215 HydrophobicContact CD2-CD2 3.96Å |
| 161 | A | 93.3 | Very high | 79.6 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 34% | 0.339 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.5 | -26.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T159 P165 A208 H209 | T159-A161 PolarHBondContact O-N 3.46Å; A161-P165 WeakPolarHBondContact O-CD 3.45Å; A161-P165 WeakPolarHBondContact O-CG 3.47Å; A161-A208 HydrophobicContact CB-CB 3.86Å; A161-A208 PolarHBondContact N-O 2.75Å; A161-A208 VanDerWaalsContact N-O 3.08Å; A161-H209 HydrophobicContact CB-CB 3.93Å |
| 162 | T | 91.5 | Very high | 81.6 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -92.5 | -33.2 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | T159 L160 | T159-T162 PolarHBondContact N-OG1 2.82Å; T159-T162 PolarHBondContact O-N 3.3Å; T159-T162 PolarHBondContact O-OG1 2.8Å; L160-T162 PolarHBondContact O-N 2.89Å |
| 163 | A | 93.1 | Very high | 84 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.5 | -40.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | I143 T159 L160 S166 A167 P213 | I143-A163 HydrophobicContact CD1-CB 4.49Å; I143-A163 HydrophobicContact CG1-CB 4.35Å; I143-A163 HydrophobicContact CG2-CB 4.32Å; T159-A163 PolarHBondContact O-N 3.18Å; T159-A163 VanDerWaalsContact O-N 3.15Å; L160-A163 PolarHBondContact O-N 2.95Å; A163-S166 PolarHBondContact O-N 2.95Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 2.87Å; A163-P213 HydrophobicContact CB-CB 4.08Å |
| 164 | L | 95.7 | Very high | 86.4 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -174.9 | -175.9 | 72.9 | 0 | 0 | 0 | 113.6 | C139 I143 L160 S166 A167 L168 F194 F198 | C139-L164 HydrophobicContact CB-CD1 4.17Å; I143-L164 HydrophobicContact CD1-CB 4.29Å; I143-L164 HydrophobicContact CD1-CD1 3.93Å; L160-L164 VanDerWaalsContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CB 3.27Å; L160-L164 PolarHBondContact O-N 3.29Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.34Å; L164-A167 PolarHBondContact O-N 3.42Å; L164-L168 WeakPolarHBondContact O-CB 3.5Å; L164-L168 PolarHBondContact O-N 2.82Å; L164-F194 HydrophobicContact CD1-CE1 4.4Å; L164-F194 HydrophobicContact CD1-CZ 4.09Å; L164-F194 HydrophobicContact CD2-CE1 4.09Å; L164-F194 HydrophobicContact CG-CE1 4.32Å; L164-F194 HydrophobicContact CG-CZ 4.44Å; L164-F198 HydrophobicContact CD1-CD2 4.33Å; L164-F198 HydrophobicContact CD1-CE2 4.37Å; L164-F198 HydrophobicContact CD2-CD1 3.99Å; L164-F198 HydrophobicContact CD2-CD2 3.51Å; L164-F198 HydrophobicContact CD2-CE1 3.96Å; L164-F198 HydrophobicContact CD2-CE2 3.47Å; L164-F198 VanDerWaalsContact CD2-CE2 3.47Å; L164-F198 HydrophobicContact CD2-CG 3.77Å; L164-F198 HydrophobicContact CD2-CZ 3.7Å; L164-F198 HydrophobicContact CG-CE2 4.44Å |
| 165 | P | 95.8 | Very high | 88.8 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.2 | -25 | 36.2 | 0 | 0 | 0 | 112.7 | A161 L168 E169 | A161-P165 WeakPolarHBondContact O-CD 3.45Å; A161-P165 WeakPolarHBondContact O-CG 3.47Å; P165-L168 PolarHBondContact O-N 2.94Å; P165-E169 WeakPolarHBondContact O-CB 3.26Å; P165-E169 PolarHBondContact O-N 3.39Å |
| 166 | S | 93.7 | Very high | 91.2 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 177.7 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | A163 L164 S170 | A163-S166 PolarHBondContact O-N 2.95Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.34Å; S166-S170 PolarHBondContact O-N 2.96Å; S166-S170 PolarHBondContact O-OG 3.5Å |
| 167 | A | 96.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | C139 Y142 I143 A163 L164 E169 S170 C171 | C139-A167 HydrophobicContact CB-CB 4.37Å; Y142-A167 HydrophobicContact CD1-CB 3.74Å; Y142-A167 HydrophobicContact CE1-CB 4.5Å; Y142-A167 HydrophobicContact CG-CB 4.39Å; I143-A167 HydrophobicContact CD1-CB 3.99Å; I143-A167 HydrophobicContact CG1-CB 3.56Å; A163-A167 WeakPolarHBondContact O-CB 3.44Å; A163-A167 PolarHBondContact O-N 2.87Å; L164-A167 PolarHBondContact O-N 3.42Å; A167-E169 PolarHBondContact O-N 3.46Å; A167-S170 PolarHBondContact O-N 2.93Å; A167-C171 WeakPolarHBondContact O-CB 3.39Å; A167-C171 PolarHBondContact O-N 3.01Å; A167-C171 PolarHBondContact O-SG 3.15Å |
| 168 | L | 98 | Very high | 95 | Very high | 16 Ų | 16 | 54.3 Ų | 54.3 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.6 | 177.9 | 60.2 | 0 | 0 | 0 | 111.6 | L135 L164 P165 C171 L172 L186 F194 | L135-L168 HydrophobicContact CD1-CD1 4.44Å; L135-L168 HydrophobicContact CD2-CD1 3.95Å; L135-L168 HydrophobicContact CG-CD1 4.2Å; L164-L168 WeakPolarHBondContact O-CB 3.5Å; L164-L168 PolarHBondContact O-N 2.82Å; P165-L168 PolarHBondContact O-N 2.94Å; L168-C171 PolarHBondContact O-N 3.39Å; L168-L172 HydrophobicContact CD1-CD1 3.81Å; L168-L172 HydrophobicContact CD1-CG 3.97Å; L168-L172 HydrophobicContact CG-CD1 3.85Å; L168-L172 HydrophobicContact CG-CG 4.43Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 VanDerWaalsContact O-CG 3.22Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.89Å; L168-L186 HydrophobicContact CD1-CD1 4.27Å; L168-L186 HydrophobicContact CD2-CD1 4.32Å; L168-F194 HydrophobicContact CB-CZ 4.48Å; L168-F194 HydrophobicContact CD1-CD2 4.26Å; L168-F194 HydrophobicContact CD1-CE2 3.74Å; L168-F194 HydrophobicContact CD1-CZ 3.91Å; L168-F194 HydrophobicContact CD2-CD1 4.32Å; L168-F194 HydrophobicContact CD2-CE1 3.99Å; L168-F194 HydrophobicContact CD2-CZ 4.13Å; L168-F194 HydrophobicContact CG-CZ 4.4Å |
| 169 | E | 97.3 | Very high | 95.7 | Very high | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.7 | -50 | 176.2 | -175.9 | 177.3 | -172.5 | 0 | 0 | 111.6 | P165 A167 C171 L172 H173 | P165-E169 WeakPolarHBondContact O-CB 3.26Å; P165-E169 PolarHBondContact O-N 3.39Å; A167-E169 PolarHBondContact O-N 3.46Å; E169-C171 PolarHBondContact O-N 2.9Å; E169-L172 PolarHBondContact O-N 2.71Å; E169-H173 WeakPolarHBondContact O-CB 3.37Å; E169-H173 PolarHBondContact O-N 3.1Å |
| 170 | S | 96.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 177.5 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | Y142 S166 A167 H173 L174 | Y142-S170 PolarHBondContact OH-OG 3Å; S166-S170 PolarHBondContact O-N 2.96Å; S166-S170 PolarHBondContact O-OG 3.5Å; A167-S170 PolarHBondContact O-N 2.93Å; S170-H173 PolarHBondContact O-N 3.06Å; S170-L174 WeakPolarHBondContact O-CB 3.36Å; S170-L174 PolarHBondContact O-N 3.09Å |
| 171 | C | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | -179.9 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | L135 R138 A167 L168 E169 L175 | L135-C171 HydrophobicContact CD1-CB 4.23Å; R138-C171 HydrophobicContact CG-CB 4.3Å; A167-C171 WeakPolarHBondContact O-CB 3.39Å; A167-C171 PolarHBondContact O-N 3.01Å; A167-C171 PolarHBondContact O-SG 3.15Å; L168-C171 PolarHBondContact O-N 3.39Å; E169-C171 PolarHBondContact O-N 2.9Å; C171-L175 WeakPolarHBondContact O-CG 3.43Å; C171-L175 PolarHBondContact O-N 3Å; C171-L175 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 98.3 | Very high | 96 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 176.1 | -73.8 | 169.7 | 0 | 0 | 0 | 111.7 | L135 L168 E169 L174 L175 Y176 P184 L186 | L135-L172 HydrophobicContact CD1-CD2 4.36Å; L135-L172 HydrophobicContact CD2-CD2 3.89Å; L168-L172 HydrophobicContact CD1-CD1 3.81Å; L168-L172 HydrophobicContact CD1-CG 3.97Å; L168-L172 HydrophobicContact CG-CD1 3.85Å; L168-L172 HydrophobicContact CG-CG 4.43Å; L168-L172 WeakPolarHBondContact O-CB 3.29Å; L168-L172 VanDerWaalsContact O-CG 3.22Å; L168-L172 WeakPolarHBondContact O-CG 3.47Å; L168-L172 PolarHBondContact O-N 2.89Å; E169-L172 PolarHBondContact O-N 2.71Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 2.79Å; L172-Y176 WeakPolarHBondContact O-CB 3.36Å; L172-Y176 PolarHBondContact O-N 3.16Å; L172-P184 WeakPolarHBondContact CB-O 3.43Å; L172-L186 HydrophobicContact CD1-CD2 4.46Å; L172-L186 HydrophobicContact CD1-CG 4.02Å; L172-L186 HydrophobicContact CD2-CD2 3.7Å; L172-L186 HydrophobicContact CD2-CG 4.18Å |
| 173 | H | 97.6 | Very high | 96.2 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 178.1 | -172.3 | 75.2 | 0 | 0 | 0 | 111.6 | E169 S170 Y176 K177 | E169-H173 WeakPolarHBondContact O-CB 3.37Å; E169-H173 PolarHBondContact O-N 3.1Å; S170-H173 PolarHBondContact O-N 3.06Å; H173-Y176 PolarHBondContact O-N 3.35Å; H173-K177 WeakPolarHBondContact O-CB 3.47Å; H173-K177 PolarHBondContact O-N 2.94Å |
| 174 | L | 97.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 175.7 | 176.5 | 65.6 | 0 | 0 | 0 | 111.8 | S170 L172 A178 L231 V233 | S170-L174 WeakPolarHBondContact O-CB 3.36Å; S170-L174 PolarHBondContact O-N 3.09Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.83Å; L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.29Å; L174-A178 VanDerWaalsContact O-N 3.14Å; L174-L231 HydrophobicContact CD2-CD2 4.47Å; L174-V233 HydrophobicContact CD1-CG1 3.83Å; L174-V233 HydrophobicContact CD2-CG1 4.11Å; L174-V233 HydrophobicContact CG-CG1 3.68Å |
| 175 | L | 97.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -38.5 | -179.1 | -69 | 172.2 | 0 | 0 | 0 | 112.4 | L135 C171 L172 A178 G179 Y180 R181 | L135-L175 HydrophobicContact CD1-CD1 4.02Å; C171-L175 WeakPolarHBondContact O-CG 3.43Å; C171-L175 PolarHBondContact O-N 3Å; C171-L175 VanDerWaalsContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 2.79Å; L175-A178 PolarHBondContact O-N 2.89Å; L175-G179 PolarHBondContact O-N 3.18Å; L175-Y180 PolarHBondContact O-N 3.32Å; L175-R181 HydrophobicContact CB-CG 4.05Å; L175-R181 PolarHBondContact O-N 3.36Å |
| 176 | Y | 97.8 | Very high | 96.5 | Very high | 107 Ų | 107 | 65.6 Ų | 65.6 | 42% | 0.42 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 176.3 | 175.1 | -108.3 | 0 | 0 | 0 | 111.7 | L172 H173 A178 G179 R181 P184 | L172-Y176 WeakPolarHBondContact O-CB 3.36Å; L172-Y176 PolarHBondContact O-N 3.16Å; H173-Y176 PolarHBondContact O-N 3.35Å; Y176-A178 PolarHBondContact O-N 3.46Å; Y176-G179 PolarHBondContact O-N 3.14Å; Y176-R181 WeakPolarHBondContact CD2-O 3.34Å; Y176-P184 HydrophobicContact CD1-CB 3.92Å; Y176-P184 HydrophobicContact CD2-CB 4.41Å; Y176-P184 HydrophobicContact CE1-CB 4.35Å; Y176-P184 HydrophobicContact CG-CB 3.94Å |
| 177 | K | 97.4 | Very high | 96.6 | Very high | 169 Ų | 169 | 65.2 Ų | 65.2 | 74% | 0.735 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.8 | -33.1 | 178.8 | -173.8 | 177.8 | 179.6 | 179.6 | 0 | 112.4 | H173 G179 | H173-K177 WeakPolarHBondContact O-CB 3.47Å; H173-K177 PolarHBondContact O-N 2.94Å; K177-G179 VanDerWaalsContact C-N 3.31Å |
| 178 | A | 96.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 74.1 Ų | 74.1 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L174 L175 Y176 Y180 V233 | L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.29Å; L174-A178 VanDerWaalsContact O-N 3.14Å; L175-A178 PolarHBondContact O-N 2.89Å; Y176-A178 PolarHBondContact O-N 3.46Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; A178-Y180 HydrophobicContact CB-CD2 3.81Å; A178-Y180 HydrophobicContact CB-CE2 4.33Å; A178-Y180 WeakPolarHBondContact O-CD2 3.46Å; A178-Y180 PolarHBondContact O-N 3.16Å; A178-V233 HydrophobicContact CB-CB 4.04Å; A178-V233 HydrophobicContact CB-CG1 3.76Å; A178-V233 HydrophobicContact CB-CG2 4.08Å |
| 179 | G | 95.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 75.7 Ų | 75.7 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 7.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | L175 Y176 K177 R181 | L175-G179 PolarHBondContact O-N 3.18Å; Y176-G179 PolarHBondContact O-N 3.14Å; K177-G179 VanDerWaalsContact C-N 3.31Å; G179-R181 VanDerWaalsContact C-N 3.28Å; G179-R181 PolarHBondContact O-N 3.33Å |
| 180 | Y | 93.6 | Very high | 96.4 | Very high | 131 Ų | 131 | 70.7 Ų | 70.7 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -79.7 | -10.3 | 177.3 | -78.3 | -94.7 | 0 | 0 | 0 | 113.2 | L175 A178 V233 | L175-Y180 PolarHBondContact O-N 3.32Å; A178-Y180 VanDerWaalsContact C-N 3.31Å; A178-Y180 HydrophobicContact CB-CD2 3.81Å; A178-Y180 HydrophobicContact CB-CE2 4.33Å; A178-Y180 WeakPolarHBondContact O-CD2 3.46Å; A178-Y180 PolarHBondContact O-N 3.16Å; Y180-V233 HydrophobicContact CD2-CB 4.08Å; Y180-V233 HydrophobicContact CD2-CG2 4.29Å; Y180-V233 HydrophobicContact CE2-CB 4.02Å; Y180-V233 HydrophobicContact CE2-CG2 3.79Å |
| 181 | R | 94.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | trans | -136.2 | 145.3 | 171.3 | -71.2 | -173.5 | 63.8 | 86.3 | 4 | 110.2 | L175 Y176 G179 E190 | L175-R181 HydrophobicContact CB-CG 4.05Å; L175-R181 PolarHBondContact O-N 3.36Å; Y176-R181 WeakPolarHBondContact CD2-O 3.34Å; G179-R181 VanDerWaalsContact C-N 3.28Å; G179-R181 PolarHBondContact O-N 3.33Å; R181-E190 IonicContact CZ-OE1 3.57Å; R181-E190 IonicContact NH1-OE1 3.54Å; R181-E190 PolarHBondContact NH1-OE1 3.37Å; R181-E190 IonicContact NH2-OE1 3.41Å; R181-E190 PolarHBondContact NH2-OE1 3.27Å; R181-E190 IonicContact NH2-OE2 2.82Å; R181-E190 PolarHBondContact NH2-OE2 3.1Å | ||
| 182 | T | 93.7 | Very high | 96.4 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 89% | 0.89 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -81.3 | -17.7 | 177.5 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 183 | S | 95.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | trans | -129.6 | 141.1 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | T185 | S183-T185 PolarHBondContact O-N 2.75Å; S183-T185 PolarHBondContact OG-N 2.92Å; S183-T185 VanDerWaalsContact OG-N 3.12Å; S183-T185 PolarHBondContact OG-O 3.18Å; S183-T185 PolarHBondContact OG-OG1 3.21Å | ||
| 184 | P | 95.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 66.8 Ų | 66.8 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -76 | -6.7 | 173.4 | 32.9 | -35.9 | 0 | 0 | 0 | 113.2 | L172 Y176 | L172-P184 WeakPolarHBondContact CB-O 3.43Å; Y176-P184 HydrophobicContact CD1-CB 3.92Å; Y176-P184 HydrophobicContact CD2-CB 4.41Å; Y176-P184 HydrophobicContact CE1-CB 4.35Å; Y176-P184 HydrophobicContact CG-CB 3.94Å |
| 185 | T | 96.6 | Very high | 96.3 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 55% | 0.546 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -127.9 | 159.1 | -179.5 | 61 | 0 | 0 | 0 | 0 | 111.1 | S183 | S183-T185 PolarHBondContact O-N 2.75Å; S183-T185 PolarHBondContact OG-N 2.92Å; S183-T185 VanDerWaalsContact OG-N 3.12Å; S183-T185 PolarHBondContact OG-O 3.18Å; S183-T185 PolarHBondContact OG-OG1 3.21Å |
| 186 | L | 97.7 | Very high | 96.2 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.136 | 34% | 0.339 | C | S | . | . | trans | -79.8 | 136.5 | 171.4 | -64.2 | -175 | 0 | 0 | 0 | 110.3 | I132 L135 L168 L172 E190 K191 F194 | I132-L186 HydrophobicContact CD1-CD2 4.34Å; L135-L186 HydrophobicContact CD2-CD1 4.26Å; L135-L186 HydrophobicContact CD2-CD2 3.78Å; L135-L186 HydrophobicContact CD2-CG 4.49Å; L168-L186 HydrophobicContact CD1-CD1 4.27Å; L168-L186 HydrophobicContact CD2-CD1 4.32Å; L172-L186 HydrophobicContact CD1-CD2 4.46Å; L172-L186 HydrophobicContact CD1-CG 4.02Å; L172-L186 HydrophobicContact CD2-CD2 3.7Å; L172-L186 HydrophobicContact CD2-CG 4.18Å; L186-E190 HydrophobicContact CB-CB 4.04Å; L186-E190 HydrophobicContact CD2-CB 3.99Å; L186-E190 HydrophobicContact CG-CB 4.42Å; L186-K191 HydrophobicContact CB-CB 4.06Å; L186-K191 HydrophobicContact CD1-CB 4.38Å; L186-K191 HydrophobicContact CD1-CD 4.27Å; L186-F194 HydrophobicContact CD1-CB 4.09Å; L186-F194 HydrophobicContact CD1-CD2 4.49Å; L186-F194 HydrophobicContact CD1-CG 4.3Å | ||
| 187 | S | 95.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | trans | -60 | 163.4 | 162.4 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | R189 E190 K191 | S187-R189 PolarHBondContact O-N 3.38Å; S187-E190 WeakPolarHBondContact CB-OE2 3.3Å; S187-E190 PolarHBondContact N-OE2 2.85Å; S187-E190 PolarHBondContact O-N 3.07Å; S187-E190 VanDerWaalsContact OG-CG 3.24Å; S187-E190 WeakPolarHBondContact OG-CG 3.33Å; S187-E190 PolarHBondContact OG-N 3.25Å; S187-E190 PolarHBondContact OG-OE2 3.07Å; S187-K191 WeakPolarHBondContact O-CB 3.4Å; S187-K191 PolarHBondContact O-N 2.98Å | ||
| 188 | R | 94.7 | Very high | 95.7 | Very high | 189 Ų | 189 | 52.4 Ų | 52.4 | 71% | 0.713 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54.6 | -41.8 | 177 | -176.1 | -173.5 | -179 | 173.3 | 8.8 | 112.3 | G192 | R188-G192 PolarHBondContact O-N 3.26Å |
| 189 | R | 95.3 | Very high | 95.5 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 19% | 0.185 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -52.6 | -180 | -179.7 | -175.7 | -95.1 | -157.4 | -14.5 | 110.5 | K122 I124 E128 S187 K191 G192 I193 P443 | K122-R189 PolarHBondContact O-NH2 3.21Å; I124-R189 HydrophobicContact CD1-CG 4.2Å; I124-R189 VanDerWaalsContact CG1-CZ 3.49Å; E128-R189 WeakPolarHBondContact OE1-CD 3.46Å; E128-R189 IonicContact OE1-NH1 3.93Å; E128-R189 IonicContact OE2-NH1 3.67Å; E128-R189 PolarHBondContact OE2-NH1 3.01Å; S187-R189 PolarHBondContact O-N 3.38Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.38Å; R189-G192 WeakPolarHBondContact O-CA 3.49Å; R189-G192 PolarHBondContact O-N 3.45Å; R189-I193 HydrophobicContact CG-CD1 4.16Å; R189-I193 WeakPolarHBondContact O-CG1 3.44Å; R189-I193 PolarHBondContact O-N 3.21Å; R189-P443 HydrophobicContact CG-CG 4.47Å |
| 190 | E | 97.2 | Very high | 95.2 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.1 | -68.6 | 170.4 | 114.1 | 0 | 0 | 111.8 | I132 R181 L186 S187 G192 I193 F194 | I132-E190 HydrophobicContact CD1-CB 3.76Å; I132-E190 HydrophobicContact CD1-CG 3.9Å; I132-E190 HydrophobicContact CG1-CB 4.4Å; I132-E190 HydrophobicContact CG1-CG 4.48Å; R181-E190 IonicContact CZ-OE1 3.57Å; R181-E190 IonicContact NH1-OE1 3.54Å; R181-E190 PolarHBondContact NH1-OE1 3.37Å; R181-E190 IonicContact NH2-OE1 3.41Å; R181-E190 PolarHBondContact NH2-OE1 3.27Å; R181-E190 IonicContact NH2-OE2 2.82Å; R181-E190 PolarHBondContact NH2-OE2 3.1Å; L186-E190 HydrophobicContact CB-CB 4.04Å; L186-E190 HydrophobicContact CD2-CB 3.99Å; L186-E190 HydrophobicContact CG-CB 4.42Å; S187-E190 WeakPolarHBondContact CB-OE2 3.3Å; S187-E190 PolarHBondContact N-OE2 2.85Å; S187-E190 PolarHBondContact O-N 3.07Å; S187-E190 VanDerWaalsContact OG-CG 3.24Å; S187-E190 WeakPolarHBondContact OG-CG 3.33Å; S187-E190 PolarHBondContact OG-N 3.25Å; S187-E190 PolarHBondContact OG-OE2 3.07Å; E190-G192 VanDerWaalsContact C-N 3.29Å; E190-G192 PolarHBondContact O-N 3.26Å; E190-I193 PolarHBondContact O-N 2.92Å; E190-F194 WeakPolarHBondContact O-CB 3.4Å; E190-F194 PolarHBondContact O-N 2.92Å |
| 191 | K | 97.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 34% | 0.335 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.5 | -40 | 175.6 | -179.3 | 54 | 176.7 | 150.4 | 0 | 111.7 | L186 S187 R189 F194 D195 | L186-K191 HydrophobicContact CB-CB 4.06Å; L186-K191 HydrophobicContact CD1-CB 4.38Å; L186-K191 HydrophobicContact CD1-CD 4.27Å; S187-K191 WeakPolarHBondContact O-CB 3.4Å; S187-K191 PolarHBondContact O-N 2.98Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.38Å; K191-F194 PolarHBondContact O-N 3.45Å; K191-D195 WeakPolarHBondContact CE-OD1 3.38Å; K191-D195 IonicContact NZ-OD1 3.49Å; K191-D195 PolarHBondContact NZ-OD1 3.25Å; K191-D195 IonicContact NZ-OD2 2.87Å; K191-D195 WeakPolarHBondContact O-CB 3.26Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.98Å |
| 192 | G | 97.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 6% | 0.062 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R188 R189 E190 S196 G444 | R188-G192 PolarHBondContact O-N 3.26Å; R189-G192 WeakPolarHBondContact O-CA 3.49Å; R189-G192 PolarHBondContact O-N 3.45Å; E190-G192 VanDerWaalsContact C-N 3.29Å; E190-G192 PolarHBondContact O-N 3.26Å; G192-S196 WeakPolarHBondContact O-CB 3.49Å; G192-S196 PolarHBondContact O-N 2.75Å; G192-S196 PolarHBondContact O-OG 2.83Å; G192-G444 VanDerWaalsContact C-N 3.3Å; G192-G444 VanDerWaalsContact CA-N 3.31Å; G192-G444 PolarHBondContact O-N 2.71Å |
| 193 | I | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 174.6 | -62.4 | 166.9 | 0 | 0 | 0 | 109.6 | W115 I124 E128 V129 I132 R189 E190 D195 S196 L197 P443 | W115-I193 HydrophobicContact CE3-CG1 4.2Å; W115-I193 HydrophobicContact CH2-CG2 4.03Å; W115-I193 HydrophobicContact CZ3-CB 4.19Å; W115-I193 HydrophobicContact CZ3-CG1 3.95Å; W115-I193 HydrophobicContact CZ3-CG2 4.11Å; I124-I193 HydrophobicContact CD1-CD1 4.36Å; I124-I193 HydrophobicContact CD1-CG1 4.47Å; I124-I193 HydrophobicContact CG2-CD1 3.87Å; E128-I193 HydrophobicContact CG-CD1 4.1Å; V129-I193 HydrophobicContact CG1-CG2 4.17Å; I132-I193 HydrophobicContact CB-CB 4.38Å; I132-I193 HydrophobicContact CB-CG2 3.78Å; I132-I193 HydrophobicContact CG1-CB 4.4Å; I132-I193 HydrophobicContact CG1-CG2 4.2Å; I132-I193 HydrophobicContact CG2-CB 4.1Å; I132-I193 HydrophobicContact CG2-CG2 3.77Å; R189-I193 HydrophobicContact CG-CD1 4.16Å; R189-I193 WeakPolarHBondContact O-CG1 3.44Å; R189-I193 PolarHBondContact O-N 3.21Å; E190-I193 PolarHBondContact O-N 2.92Å; I193-D195 VanDerWaalsContact C-N 3.34Å; I193-D195 PolarHBondContact O-N 2.67Å; I193-S196 PolarHBondContact O-N 2.73Å; I193-S196 VanDerWaalsContact O-N 3.12Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.27Å; I193-L197 WeakPolarHBondContact O-CG 3.28Å; I193-L197 PolarHBondContact O-N 2.88Å; I193-P443 HydrophobicContact CG1-CB 4.4Å; I193-P443 HydrophobicContact CG1-CG 4.15Å |
| 194 | F | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -48.3 | 179.2 | -177.2 | -84.8 | 0 | 0 | 0 | 111.5 | I132 L135 L136 C139 L164 L168 L186 E190 K191 S196 L197 F198 | I132-F194 VanDerWaalsContact CG2-CA 3.46Å; I132-F194 HydrophobicContact CG2-CB 3.62Å; I132-F194 HydrophobicContact CG2-CD2 4.15Å; I132-F194 HydrophobicContact CG2-CG 4.39Å; L135-F194 HydrophobicContact CD2-CD2 4.3Å; L135-F194 HydrophobicContact CG-CD2 4.39Å; L135-F194 HydrophobicContact CG-CE2 4.26Å; L136-F194 HydrophobicContact CB-CD2 4.35Å; L136-F194 HydrophobicContact CB-CE2 4.04Å; L136-F194 HydrophobicContact CD1-CE2 4.08Å; L136-F194 HydrophobicContact CD1-CZ 3.92Å; C139-F194 HydrophobicContact CB-CZ 4.48Å; L164-F194 HydrophobicContact CD1-CE1 4.4Å; L164-F194 HydrophobicContact CD1-CZ 4.09Å; L164-F194 HydrophobicContact CD2-CE1 4.09Å; L164-F194 HydrophobicContact CG-CE1 4.32Å; L164-F194 HydrophobicContact CG-CZ 4.44Å; L168-F194 HydrophobicContact CB-CZ 4.48Å; L168-F194 HydrophobicContact CD1-CD2 4.26Å; L168-F194 HydrophobicContact CD1-CE2 3.74Å; L168-F194 HydrophobicContact CD1-CZ 3.91Å; L168-F194 HydrophobicContact CD2-CD1 4.32Å; L168-F194 HydrophobicContact CD2-CE1 3.99Å; L168-F194 HydrophobicContact CD2-CZ 4.13Å; L168-F194 HydrophobicContact CG-CZ 4.4Å; L186-F194 HydrophobicContact CD1-CB 4.09Å; L186-F194 HydrophobicContact CD1-CD2 4.49Å; L186-F194 HydrophobicContact CD1-CG 4.3Å; E190-F194 WeakPolarHBondContact O-CB 3.4Å; E190-F194 PolarHBondContact O-N 2.92Å; K191-F194 PolarHBondContact O-N 3.45Å; F194-S196 PolarHBondContact O-N 3.27Å; F194-L197 PolarHBondContact O-N 3.13Å; F194-F198 VanDerWaalsContact O-CB 3.31Å; F194-F198 WeakPolarHBondContact O-CB 3.36Å; F194-F198 PolarHBondContact O-N 2.73Å |
| 195 | D | 96.6 | Very high | 93.8 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.2 | -73.3 | -14.7 | 0 | 0 | 0 | 111.3 | K191 I193 F198 A199 A445 K470 | K191-D195 WeakPolarHBondContact CE-OD1 3.38Å; K191-D195 IonicContact NZ-OD1 3.49Å; K191-D195 PolarHBondContact NZ-OD1 3.25Å; K191-D195 IonicContact NZ-OD2 2.87Å; K191-D195 WeakPolarHBondContact O-CB 3.26Å; K191-D195 VanDerWaalsContact O-CG 3.23Å; K191-D195 PolarHBondContact O-N 2.98Å; I193-D195 VanDerWaalsContact C-N 3.34Å; I193-D195 PolarHBondContact O-N 2.67Å; D195-F198 PolarHBondContact O-N 3.48Å; D195-A199 VanDerWaalsContact O-CB 3.26Å; D195-A199 WeakPolarHBondContact O-CB 3.38Å; D195-A199 PolarHBondContact O-N 3.01Å; D195-A445 HydrophobicContact CB-CB 3.83Å; D195-A445 WeakPolarHBondContact O-CB 3.17Å; D195-K470 IonicContact OD2-NZ 3.93Å; D195-K470 PolarHBondContact OD2-NZ 2.77Å |
| 196 | S | 95.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 179.6 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | G192 I193 F194 A199 R200 C442 G444 A445 | G192-S196 WeakPolarHBondContact O-CB 3.49Å; G192-S196 PolarHBondContact O-N 2.75Å; G192-S196 PolarHBondContact O-OG 2.83Å; I193-S196 PolarHBondContact O-N 2.73Å; I193-S196 VanDerWaalsContact O-N 3.12Å; F194-S196 PolarHBondContact O-N 3.27Å; S196-A199 PolarHBondContact O-N 3.26Å; S196-R200 WeakPolarHBondContact O-CB 3.47Å; S196-R200 PolarHBondContact O-N 2.93Å; S196-C442 PolarHBondContact OG-O 2.97Å; S196-G444 PolarHBondContact OG-N 3.11Å; S196-A445 PolarHBondContact OG-N 3.15Å |
| 197 | L | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -47 | 176.4 | -65.9 | 176.5 | 0 | 0 | 0 | 111.2 | P110 E111 W115 V129 I132 L136 I193 F194 A199 R200 Y201 | P110-L197 HydrophobicContact CB-CD2 4.06Å; P110-L197 HydrophobicContact CG-CD2 3.55Å; E111-L197 HydrophobicContact CG-CD2 4.45Å; W115-L197 HydrophobicContact CH2-CD2 4.32Å; W115-L197 HydrophobicContact CH2-CG 4.39Å; W115-L197 HydrophobicContact CZ2-CD2 3.97Å; W115-L197 HydrophobicContact CZ2-CG 4.49Å; V129-L197 HydrophobicContact CG1-CD1 4.39Å; V129-L197 HydrophobicContact CG1-CD2 4.31Å; I132-L197 HydrophobicContact CB-CD1 4.46Å; I132-L197 HydrophobicContact CG2-CD1 4.23Å; L136-L197 HydrophobicContact CD2-CB 3.79Å; I193-L197 HydrophobicContact CG2-CD1 3.94Å; I193-L197 HydrophobicContact CG2-CG 4.27Å; I193-L197 WeakPolarHBondContact O-CG 3.28Å; I193-L197 PolarHBondContact O-N 2.88Å; F194-L197 PolarHBondContact O-N 3.13Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.76Å; L197-R200 PolarHBondContact O-N 2.97Å; L197-R200 VanDerWaalsContact O-N 3.14Å; L197-Y201 HydrophobicContact CB-CD2 4.38Å; L197-Y201 HydrophobicContact CD2-CE2 4.23Å; L197-Y201 VanDerWaalsContact O-CD2 3.26Å; L197-Y201 WeakPolarHBondContact O-CD2 3.35Å; L197-Y201 PolarHBondContact O-N 2.79Å |
| 198 | F | 93.2 | Very high | 93.2 | Very high | 16 Ų | 16 | 25 Ų | 25 | 7% | 0.07 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 176.8 | 171.4 | -99 | 0 | 0 | 0 | 111.9 | L136 L160 L164 F194 D195 R200 I202 A203 A208 | L136-F198 HydrophobicContact CD1-CB 4.04Å; L136-F198 HydrophobicContact CD1-CD2 4.07Å; L136-F198 HydrophobicContact CD2-CB 4.34Å; L160-F198 HydrophobicContact CD2-CE2 3.65Å; L160-F198 HydrophobicContact CD2-CZ 3.7Å; L160-F198 HydrophobicContact CG-CE2 4.27Å; L160-F198 HydrophobicContact CG-CZ 4.23Å; L164-F198 HydrophobicContact CD1-CD2 4.33Å; L164-F198 HydrophobicContact CD1-CE2 4.37Å; L164-F198 HydrophobicContact CD2-CD1 3.99Å; L164-F198 HydrophobicContact CD2-CD2 3.51Å; L164-F198 HydrophobicContact CD2-CE1 3.96Å; L164-F198 HydrophobicContact CD2-CE2 3.47Å; L164-F198 VanDerWaalsContact CD2-CE2 3.47Å; L164-F198 HydrophobicContact CD2-CG 3.77Å; L164-F198 HydrophobicContact CD2-CZ 3.7Å; L164-F198 HydrophobicContact CG-CE2 4.44Å; F194-F198 VanDerWaalsContact O-CB 3.31Å; F194-F198 WeakPolarHBondContact O-CB 3.36Å; F194-F198 PolarHBondContact O-N 2.73Å; D195-F198 PolarHBondContact O-N 3.48Å; F198-R200 VanDerWaalsContact C-N 3.31Å; F198-R200 PolarHBondContact O-N 3.44Å; F198-I202 HydrophobicContact CD2-CB 3.86Å; F198-I202 HydrophobicContact CD2-CG1 4.02Å; F198-I202 HydrophobicContact CD2-CG2 4.36Å; F198-I202 HydrophobicContact CE2-CB 3.65Å; F198-I202 HydrophobicContact CE2-CG1 4.13Å; F198-I202 HydrophobicContact CE2-CG2 3.65Å; F198-I202 HydrophobicContact CZ-CB 4.28Å; F198-I202 HydrophobicContact CZ-CG2 4.14Å; F198-I202 WeakPolarHBondContact O-CA 3.3Å; F198-I202 WeakPolarHBondContact O-CB 3.31Å; F198-I202 PolarHBondContact O-N 2.72Å; F198-A203 HydrophobicContact CD1-CB 4.28Å; F198-A203 HydrophobicContact CE1-CB 3.72Å; F198-A203 HydrophobicContact CZ-CB 4.21Å; F198-A203 PolarHBondContact O-N 2.7Å; F198-A208 HydrophobicContact CE1-CB 3.9Å; F198-A208 HydrophobicContact CZ-CB 3.84Å |
| 199 | A | 92.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D195 S196 L197 A203 Y204 A445 W466 | D195-A199 VanDerWaalsContact O-CB 3.26Å; D195-A199 WeakPolarHBondContact O-CB 3.38Å; D195-A199 PolarHBondContact O-N 3.01Å; S196-A199 PolarHBondContact O-N 3.26Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 2.76Å; A199-A203 CarbonylContact O-C 3.48Å; A199-A203 PolarHBondContact O-N 2.85Å; A199-Y204 VanDerWaalsContact O-CA 3.3Å; A199-Y204 WeakPolarHBondContact O-CA 3.39Å; A199-Y204 PolarHBondContact O-N 3.18Å; A199-A445 HydrophobicContact CB-CB 3.84Å; A199-W466 HydrophobicContact CB-CD2 4.35Å; A199-W466 HydrophobicContact CB-CE3 3.49Å; A199-W466 VanDerWaalsContact CB-CE3 3.49Å; A199-W466 HydrophobicContact CB-CH2 4.27Å; A199-W466 HydrophobicContact CB-CZ3 3.44Å; A199-W466 VanDerWaalsContact CB-CZ3 3.44Å |
| 200 | R | 88.5 | Confident | 93 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 1% | 0.011 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.3 | -42 | 179.6 | -171.1 | 68.7 | -166.5 | 81.3 | -18 | 113.3 | W107 E108 P110 S196 L197 F198 | W107-R200 VanDerWaalsContact C-NH2 3.32Å; W107-R200 PolarHBondContact O-NE 3.19Å; W107-R200 PolarHBondContact O-NH1 3.46Å; W107-R200 VanDerWaalsContact O-NH1 3.09Å; W107-R200 PolarHBondContact O-NH2 2.9Å; E108-R200 IonicContact OE1-NH2 3.48Å; E108-R200 IonicContact OE2-CZ 3.56Å; E108-R200 IonicContact OE2-NE 3.36Å; E108-R200 PolarHBondContact OE2-NE 3.24Å; E108-R200 IonicContact OE2-NH2 2.84Å; E108-R200 PolarHBondContact OE2-NH2 2.93Å; P110-R200 HydrophobicContact CB-CB 4.46Å; P110-R200 HydrophobicContact CB-CG 4.06Å; P110-R200 HydrophobicContact CG-CB 4.14Å; P110-R200 HydrophobicContact CG-CG 3.81Å; S196-R200 WeakPolarHBondContact O-CB 3.47Å; S196-R200 PolarHBondContact O-N 2.93Å; L197-R200 PolarHBondContact O-N 2.97Å; L197-R200 VanDerWaalsContact O-N 3.14Å; F198-R200 VanDerWaalsContact C-N 3.31Å; F198-R200 PolarHBondContact O-N 3.44Å |
| 201 | Y | 86.7 | Confident | 92.7 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 14% | 0.137 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -87.9 | -39.5 | -174.6 | -74.1 | -61.4 | 0 | 0 | 0 | 113.6 | D99 L101 P110 E111 L136 L197 | D99-Y201 WeakPolarHBondContact OD2-CE1 3.49Å; L101-Y201 HydrophobicContact CD1-CD1 3.75Å; L101-Y201 HydrophobicContact CD1-CE1 4.01Å; L101-Y201 HydrophobicContact CD1-CG 4.48Å; P110-Y201 HydrophobicContact CG-CE2 3.79Å; E111-Y201 VanDerWaalsContact OE1-CE2 3.3Å; E111-Y201 WeakPolarHBondContact OE1-CE2 3.14Å; E111-Y201 PolarHBondContact OE1-OH 3.32Å; E111-Y201 PolarHBondContact OE2-OH 2.95Å; L136-Y201 HydrophobicContact CD2-CD2 4.26Å; L197-Y201 HydrophobicContact CB-CD2 4.38Å; L197-Y201 HydrophobicContact CD2-CE2 4.23Å; L197-Y201 VanDerWaalsContact O-CD2 3.26Å; L197-Y201 WeakPolarHBondContact O-CD2 3.35Å; L197-Y201 PolarHBondContact O-N 2.79Å |
| 202 | I | 88.8 | Confident | 92.2 | Very high | 27 Ų | 27 | 16.6 Ų | 16.6 | 14% | 0.138 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -47.8 | -167.7 | -52.3 | -61 | 0 | 0 | 0 | 111.3 | L140 L160 F198 Y204 L211 L215 L217 | L140-I202 HydrophobicContact CD1-CD1 3.91Å; L140-I202 HydrophobicContact CD1-CG1 4.16Å; L140-I202 HydrophobicContact CD2-CD1 4.25Å; L140-I202 HydrophobicContact CD2-CG1 4.11Å; L160-I202 HydrophobicContact CD2-CG2 3.42Å; L160-I202 VanDerWaalsContact CD2-CG2 3.42Å; F198-I202 HydrophobicContact CD2-CB 3.86Å; F198-I202 HydrophobicContact CD2-CG1 4.02Å; F198-I202 HydrophobicContact CD2-CG2 4.36Å; F198-I202 HydrophobicContact CE2-CB 3.65Å; F198-I202 HydrophobicContact CE2-CG1 4.13Å; F198-I202 HydrophobicContact CE2-CG2 3.65Å; F198-I202 HydrophobicContact CZ-CB 4.28Å; F198-I202 HydrophobicContact CZ-CG2 4.14Å; F198-I202 WeakPolarHBondContact O-CA 3.3Å; F198-I202 WeakPolarHBondContact O-CB 3.31Å; F198-I202 PolarHBondContact O-N 2.72Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 3.36Å; I202-L211 HydrophobicContact CG2-CD1 3.95Å; I202-L211 WeakPolarHBondContact O-CD1 3.47Å; I202-L215 HydrophobicContact CG2-CD2 4.4Å; I202-L217 HydrophobicContact CD1-CD2 3.79Å |
| 203 | A | 91.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -96.9 | 33.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F198 A199 N206 L211 G468 | F198-A203 HydrophobicContact CD1-CB 4.28Å; F198-A203 HydrophobicContact CE1-CB 3.72Å; F198-A203 HydrophobicContact CZ-CB 4.21Å; F198-A203 PolarHBondContact O-N 2.7Å; A199-A203 CarbonylContact O-C 3.48Å; A199-A203 PolarHBondContact O-N 2.85Å; A203-N206 CarbonylContact C-O 3.58Å; A203-N206 WeakPolarHBondContact CA-O 3.44Å; A203-N206 VanDerWaalsContact CB-O 3.29Å; A203-N206 WeakPolarHBondContact CB-O 3.23Å; A203-L211 HydrophobicContact CB-CD1 4.28Å; A203-G468 WeakPolarHBondContact O-CA 3.48Å; A203-G468 PolarHBondContact O-N 3.08Å |
| 204 | Y | 88.8 | Confident | 90.9 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 8% | 0.082 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -68.2 | -49.2 | -177.4 | -173.6 | -97.5 | 0 | 0 | 0 | 111.8 | A199 I202 H419 W466 G467 Y520 | A199-Y204 VanDerWaalsContact O-CA 3.3Å; A199-Y204 WeakPolarHBondContact O-CA 3.39Å; A199-Y204 PolarHBondContact O-N 3.18Å; I202-Y204 VanDerWaalsContact C-N 3.34Å; I202-Y204 PolarHBondContact O-N 3.36Å; Y204-H419 AromaticContact CZ-CD2 3.87Å; Y204-H419 AromaticContact CZ-NE2 3.88Å; Y204-H419 PolarHBondContact OH-NE2 3.39Å; Y204-W466 HydrophobicContact CD2-CB 4.28Å; Y204-W466 AromaticContact CD2-CD1 3.45Å; Y204-W466 VanDerWaalsContact CD2-CD1 3.45Å; Y204-W466 HydrophobicContact CD2-CG 4.05Å; Y204-W466 AromaticContact CE2-CD1 3.44Å; Y204-W466 VanDerWaalsContact CE2-CD1 3.44Å; Y204-W466 HydrophobicContact CE2-CG 4.4Å; Y204-W466 VanDerWaalsContact O-CB 3.24Å; Y204-W466 WeakPolarHBondContact O-CB 3.42Å; Y204-G467 PolarHBondContact O-N 3.04Å; Y204-Y520 HydrophobicContact CE1-CE2 4.08Å |
| 205 | V | 87.8 | Confident | 90 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 7% | 0.073 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -90.4 | -45.9 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | Y520 A522 | V205-Y520 HydrophobicContact CG1-CD2 4.4Å; V205-Y520 HydrophobicContact CG1-CG 4.42Å; V205-Y520 HydrophobicContact CG2-CD2 4.02Å; V205-Y520 HydrophobicContact CG2-CG 4.08Å; V205-A522 HydrophobicContact CB-CB 4.29Å; V205-A522 HydrophobicContact CG1-CB 3.59Å |
| 206 | N | 90.9 | Very high | 89 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -121.3 | 143.2 | -175.3 | -81.4 | 0.9 | 0 | 0 | 0 | 110.2 | A203 R210 L211 A522 G523 E524 | A203-N206 CarbonylContact C-O 3.58Å; A203-N206 WeakPolarHBondContact CA-O 3.44Å; A203-N206 VanDerWaalsContact CB-O 3.29Å; A203-N206 WeakPolarHBondContact CB-O 3.23Å; N206-R210 HydrophobicContact CB-CB 4.13Å; N206-R210 PolarHBondContact OD1-NH2 3.39Å; N206-L211 HydrophobicContact CB-CD2 3.85Å; N206-L211 HydrophobicContact CB-CG 4.13Å; N206-A522 WeakPolarHBondContact ND2-CB 3.23Å; N206-G523 PolarHBondContact ND2-O 3.37Å; N206-E524 PolarHBondContact ND2-OE1 3.31Å |
| 207 | P | 94 | Very high | 88.1 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | trans | -66.6 | 159.9 | 171.3 | 30.1 | -35.8 | 0 | 0 | 0 | 111.5 | H209 R210 E417 | P207-H209 WeakPolarHBondContact CG-CE1 3.46Å; P207-H209 PolarHBondContact O-N 2.74Å; P207-R210 HydrophobicContact CG-CB 4.3Å; P207-R210 HydrophobicContact CG-CG 4.28Å; P207-R210 PolarHBondContact O-N 2.63Å; P207-E417 HydrophobicContact CG-CB 4.31Å | ||
| 208 | A | 94 | Very high | 87.4 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -55.2 | -29.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L160 A161 F198 R210 L211 | L160-A208 PolarHBondContact N-O 3.19Å; A161-A208 HydrophobicContact CB-CB 3.86Å; A161-A208 PolarHBondContact N-O 2.75Å; A161-A208 VanDerWaalsContact N-O 3.08Å; F198-A208 HydrophobicContact CE1-CB 3.9Å; F198-A208 HydrophobicContact CZ-CB 3.84Å; A208-R210 PolarHBondContact O-N 3.06Å; A208-L211 PolarHBondContact O-N 2.78Å |
| 209 | H | 93.5 | Very high | 86.7 | Confident | 89 Ų | 89 | 34.7 Ų | 34.7 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -76.4 | -9.6 | 179 | 68.5 | -95.1 | 0 | 0 | 0 | 113.2 | T159 A161 P207 E417 | T159-H209 WeakPolarHBondContact CG2-O 3.35Å; A161-H209 HydrophobicContact CB-CB 3.93Å; P207-H209 WeakPolarHBondContact CG-CE1 3.46Å; P207-H209 PolarHBondContact O-N 2.74Å; H209-E417 IonicContact CE1-OE1 3.88Å |
| 210 | R | 92.4 | Very high | 86 | Confident | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -108.2 | 11 | 173.5 | -72.8 | 172 | 57.1 | -146.1 | -10.1 | 112.5 | N206 P207 A208 P412 E417 E524 | N206-R210 HydrophobicContact CB-CB 4.13Å; N206-R210 PolarHBondContact OD1-NH2 3.39Å; P207-R210 HydrophobicContact CG-CB 4.3Å; P207-R210 HydrophobicContact CG-CG 4.28Å; P207-R210 PolarHBondContact O-N 2.63Å; A208-R210 PolarHBondContact O-N 3.06Å; R210-P412 VanDerWaalsContact CZ-CD 3.44Å; R210-E417 PolarHBondContact NH1-O 2.81Å; R210-E524 WeakPolarHBondContact CG-OE2 3.3Å; R210-E524 IonicContact CZ-OE1 3Å; R210-E524 VanDerWaalsContact CZ-OE1 3.26Å; R210-E524 IonicContact CZ-OE2 2.72Å; R210-E524 IonicContact NE-OE1 3.66Å; R210-E524 PolarHBondContact NE-OE1 3.38Å; R210-E524 IonicContact NE-OE2 2.7Å; R210-E524 PolarHBondContact NE-OE2 3.39Å; R210-E524 IonicContact NH2-OE1 3.98Å; R210-E524 PolarHBondContact NH2-OE1 2.88Å |
| 211 | L | 90.4 | Very high | 85.7 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -112.5 | 139.3 | 179 | -67.3 | 175.4 | 0 | 0 | 0 | 110.7 | T159 L160 I202 A203 N206 A208 | T159-L211 WeakPolarHBondContact CA-O 3.16Å; L160-L211 HydrophobicContact CB-CB 3.93Å; L160-L211 HydrophobicContact CD2-CB 4.12Å; L160-L211 HydrophobicContact CD2-CD1 4.09Å; L160-L211 PolarHBondContact N-O 3.15Å; I202-L211 HydrophobicContact CG2-CD1 3.95Å; I202-L211 WeakPolarHBondContact O-CD1 3.47Å; A203-L211 HydrophobicContact CB-CD1 4.28Å; N206-L211 HydrophobicContact CB-CD2 3.85Å; N206-L211 HydrophobicContact CB-CG 4.13Å; A208-L211 PolarHBondContact O-N 2.78Å |
| 212 | S | 87.3 | Confident | 85.6 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | trans | -72 | 143.3 | 173.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | K214 L215 | S212-K214 PolarHBondContact O-N 3.24Å; S212-K214 PolarHBondContact OG-N 3.02Å; S212-L215 WeakPolarHBondContact O-CD2 3.4Å | ||
| 213 | P | 84.7 | Confident | 85.5 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -68.6 | -20.2 | 167.8 | 29.3 | -34.6 | 0 | 0 | 0 | 112.4 | I143 K158 A163 L215 | I143-P213 HydrophobicContact CG2-CB 4.23Å; I143-P213 WeakPolarHBondContact CG2-O 3.28Å; K158-P213 HydrophobicContact CB-CG 4.48Å; K158-P213 WeakPolarHBondContact O-CD 3.37Å; A163-P213 HydrophobicContact CB-CB 4.08Å; P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 3.11Å |
| 214 | K | 81.6 | Confident | 85.3 | Confident | 170 Ų | 170 | 46.6 Ų | 46.6 | 74% | 0.739 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -78.4 | 79.6 | 171.3 | -170 | 177.8 | -178 | 177.1 | 0 | 109.3 | S212 | S212-K214 PolarHBondContact O-N 3.24Å; S212-K214 PolarHBondContact OG-N 3.02Å |
| 215 | L | 79.3 | Confident | 85.3 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | trans | -75.5 | 136.6 | -179.9 | -58 | 172.9 | 0 | 0 | 0 | 110.3 | L140 L144 L160 I202 S212 P213 L217 | L140-L215 HydrophobicContact CD2-CD1 3.7Å; L144-L215 HydrophobicContact CD2-CB 4.09Å; L144-L215 VanDerWaalsContact CD2-O 3.27Å; L144-L215 WeakPolarHBondContact CD2-O 3.43Å; L160-L215 HydrophobicContact CD1-CD1 4.1Å; L160-L215 HydrophobicContact CD1-CD2 4.34Å; L160-L215 HydrophobicContact CD1-CG 4.42Å; L160-L215 HydrophobicContact CD2-CD2 3.96Å; I202-L215 HydrophobicContact CG2-CD2 4.4Å; S212-L215 WeakPolarHBondContact O-CD2 3.4Å; P213-L215 VanDerWaalsContact C-N 3.25Å; P213-L215 PolarHBondContact O-N 3.11Å; L215-L217 HydrophobicContact CB-CD1 4.25Å; L215-L217 HydrophobicContact CB-CD2 3.96Å; L215-L217 HydrophobicContact CB-CG 3.74Å; L215-L217 HydrophobicContact CD1-CD1 4.09Å; L215-L217 HydrophobicContact CD1-CD2 4.29Å; L215-L217 HydrophobicContact CD1-CG 4.35Å | ||
| 216 | S | 75.3 | Confident | 85.4 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 52% | 0.517 | 29% | 0.287 | S | S | . | . | trans | -97.7 | 85.5 | 165.8 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | R105 | R105-S216 PolarHBondContact NH1-O 3.49Š| ||
| 217 | L | 77.5 | Confident | 85.4 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | trans | -89.7 | -29.8 | -178.3 | -61.3 | -178.1 | 0 | 0 | 0 | 112.4 | R105 L140 L144 I202 L215 F221 | R105-L217 VanDerWaalsContact CD-O 3.27Å; R105-L217 WeakPolarHBondContact CD-O 3.29Å; R105-L217 PolarHBondContact NH1-O 3.2Å; L140-L217 HydrophobicContact CB-CD1 3.74Å; L140-L217 HydrophobicContact CD1-CD1 4.07Å; L140-L217 HydrophobicContact CG-CD1 4.33Å; L144-L217 HydrophobicContact CD1-CD1 3.98Å; L144-L217 HydrophobicContact CD1-CG 4.47Å; I202-L217 HydrophobicContact CD1-CD2 3.79Å; L215-L217 HydrophobicContact CB-CD1 4.25Å; L215-L217 HydrophobicContact CB-CD2 3.96Å; L215-L217 HydrophobicContact CB-CG 3.74Å; L215-L217 HydrophobicContact CD1-CD1 4.09Å; L215-L217 HydrophobicContact CD1-CD2 4.29Å; L215-L217 HydrophobicContact CD1-CG 4.35Å; L217-F221 HydrophobicContact CB-CB 3.63Å; L217-F221 HydrophobicContact CB-CD1 4.1Å; L217-F221 HydrophobicContact CB-CD2 4.05Å; L217-F221 HydrophobicContact CB-CG 3.65Å; L217-F221 HydrophobicContact CD1-CB 4.39Å; L217-F221 HydrophobicContact CD1-CD1 3.58Å; L217-F221 HydrophobicContact CD1-CE1 4.06Å; L217-F221 HydrophobicContact CD1-CG 4.04Å; L217-F221 HydrophobicContact CG-CD1 4.49Å; L217-F221 HydrophobicContact CG-CG 4.5Å | ||
| 218 | G | 76.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | 133 | 171 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H220 F221 E222 | G218-H220 PolarHBondContact O-N 2.92Å; G218-H220 VanDerWaalsContact O-N 3.13Å; G218-F221 PolarHBondContact O-N 2.78Å; G218-F221 VanDerWaalsContact O-N 3.14Å; G218-E222 WeakPolarHBondContact O-CG 3.42Å; G218-E222 PolarHBondContact O-N 3.02Å | ||
| 219 | P | 79.3 | Confident | 85.2 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 64% | 0.636 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -56.1 | -33.9 | -173.3 | -27.8 | 35 | 0 | 0 | 0 | 114.4 | A223 | P219-A223 VanDerWaalsContact O-CB 3.28Å; P219-A223 WeakPolarHBondContact O-CB 3.27Å; P219-A223 PolarHBondContact O-N 3.44Å |
| 220 | H | 77.4 | Confident | 85.1 | Confident | 134 Ų | 134 | 52 Ų | 52 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -50.9 | 177.4 | -65.2 | -66.1 | 0 | 0 | 0 | 111.9 | G218 E222 A223 D224 | G218-H220 PolarHBondContact O-N 2.92Å; G218-H220 VanDerWaalsContact O-N 3.13Å; H220-E222 VanDerWaalsContact C-N 3.3Å; H220-E222 PolarHBondContact O-N 3.32Å; H220-A223 PolarHBondContact O-N 3.26Å; H220-D224 WeakPolarHBondContact O-CB 3.11Å; H220-D224 VanDerWaalsContact O-CG 3.23Å; H220-D224 PolarHBondContact O-N 3.11Å |
| 221 | F | 82.9 | Confident | 85.3 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 11% | 0.114 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 175.8 | -84.7 | -98.1 | 0 | 0 | 0 | 112.6 | L101 D137 L140 L141 L144 L217 G218 A225 | L101-F221 HydrophobicContact CD2-CE2 3.45Å; L101-F221 VanDerWaalsContact CD2-CE2 3.45Å; L101-F221 HydrophobicContact CD2-CZ 3.85Å; D137-F221 HydrophobicContact CB-CE1 4.42Å; L140-F221 HydrophobicContact CB-CE1 4.42Å; L140-F221 HydrophobicContact CD1-CE1 4.49Å; L141-F221 HydrophobicContact CD2-CB 4.26Å; L141-F221 HydrophobicContact CD2-CD1 3.68Å; L141-F221 HydrophobicContact CD2-CE1 4.46Å; L141-F221 HydrophobicContact CD2-CG 4.32Å; L141-F221 VanDerWaalsContact CD2-O 3.28Å; L141-F221 WeakPolarHBondContact CD2-O 3.39Å; L141-F221 HydrophobicContact CG-CD1 4.21Å; L144-F221 HydrophobicContact CD1-CB 3.96Å; L217-F221 HydrophobicContact CB-CB 3.63Å; L217-F221 HydrophobicContact CB-CD1 4.1Å; L217-F221 HydrophobicContact CB-CD2 4.05Å; L217-F221 HydrophobicContact CB-CG 3.65Å; L217-F221 HydrophobicContact CD1-CB 4.39Å; L217-F221 HydrophobicContact CD1-CD1 3.58Å; L217-F221 HydrophobicContact CD1-CE1 4.06Å; L217-F221 HydrophobicContact CD1-CG 4.04Å; L217-F221 HydrophobicContact CG-CD1 4.49Å; L217-F221 HydrophobicContact CG-CG 4.5Å; G218-F221 PolarHBondContact O-N 2.78Å; G218-F221 VanDerWaalsContact O-N 3.14Å; F221-A225 WeakPolarHBondContact O-CB 3.44Å; F221-A225 PolarHBondContact O-N 2.72Å |
| 222 | E | 84.1 | Confident | 85.5 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.2 | -70.8 | 166.2 | -163.1 | 0 | 0 | 111 | G218 H220 M226 | G218-E222 WeakPolarHBondContact O-CG 3.42Å; G218-E222 PolarHBondContact O-N 3.02Å; H220-E222 VanDerWaalsContact C-N 3.3Å; H220-E222 PolarHBondContact O-N 3.32Å; E222-M226 WeakPolarHBondContact O-CB 3.2Å; E222-M226 VanDerWaalsContact O-CG 3.31Å; E222-M226 WeakPolarHBondContact O-CG 3.45Å; E222-M226 PolarHBondContact O-N 2.96Å |
| 223 | A | 86.5 | Confident | 85.9 | Confident | 46 Ų | 46 | 57 Ų | 57 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P219 H220 A225 M226 A227 | P219-A223 VanDerWaalsContact O-CB 3.28Å; P219-A223 WeakPolarHBondContact O-CB 3.27Å; P219-A223 PolarHBondContact O-N 3.44Å; H220-A223 PolarHBondContact O-N 3.26Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 3.21Å; A223-M226 HydrophobicContact CB-CE 4.49Å; A223-M226 PolarHBondContact O-N 2.6Å; A223-A227 WeakPolarHBondContact O-CB 3.42Å; A223-A227 PolarHBondContact O-N 2.74Å |
| 224 | D | 88.1 | Confident | 86.2 | Confident | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 179.3 | -69.8 | -16.5 | 0 | 0 | 0 | 112 | L141 H220 A227 G228 L229 | L141-D224 HydrophobicContact CD1-CB 4.14Å; L141-D224 HydrophobicContact CD2-CB 3.66Å; H220-D224 WeakPolarHBondContact O-CB 3.11Å; H220-D224 VanDerWaalsContact O-CG 3.23Å; H220-D224 PolarHBondContact O-N 3.11Å; D224-A227 PolarHBondContact O-N 3.42Å; D224-G228 PolarHBondContact O-N 3.16Å; D224-L229 HydrophobicContact CB-CD1 3.81Å; D224-L229 HydrophobicContact CB-CG 4.35Å; D224-L229 WeakPolarHBondContact O-CG 3.32Å; D224-L229 PolarHBondContact O-N 2.84Å; D224-L229 VanDerWaalsContact O-N 3.07Å; D224-L229 WeakPolarHBondContact OD1-CD1 3.32Å |
| 225 | A | 88.1 | Confident | 86.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L141 L144 M145 F221 A223 A227 G228 | L141-A225 HydrophobicContact CD2-CB 4.19Å; L144-A225 HydrophobicContact CB-CB 3.74Å; L144-A225 HydrophobicContact CD1-CB 4.25Å; M145-A225 HydrophobicContact CG-CB 3.97Å; M145-A225 WeakPolarHBondContact CG-O 3.3Å; F221-A225 WeakPolarHBondContact O-CB 3.44Å; F221-A225 PolarHBondContact O-N 2.72Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 3.21Å; A225-A227 VanDerWaalsContact C-N 3.27Å; A225-A227 PolarHBondContact O-N 3.05Å; A225-G228 PolarHBondContact O-N 2.62Å |
| 226 | M | 88.8 | Confident | 87 | Confident | 153 Ų | 153 | 54 Ų | 54 | 75% | 0.754 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -34.7 | 174.9 | -74.8 | -172.9 | -61.8 | 0 | 0 | 112.6 | E222 A223 G228 | E222-M226 WeakPolarHBondContact O-CB 3.2Å; E222-M226 VanDerWaalsContact O-CG 3.31Å; E222-M226 WeakPolarHBondContact O-CG 3.45Å; E222-M226 PolarHBondContact O-N 2.96Å; A223-M226 HydrophobicContact CB-CE 4.49Å; A223-M226 PolarHBondContact O-N 2.6Å; M226-G228 PolarHBondContact O-N 2.92Å |
| 227 | A | 91.4 | Very high | 87.7 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A223 D224 A225 L229 | A223-A227 WeakPolarHBondContact O-CB 3.42Å; A223-A227 PolarHBondContact O-N 2.74Å; D224-A227 PolarHBondContact O-N 3.42Å; A225-A227 VanDerWaalsContact C-N 3.27Å; A225-A227 PolarHBondContact O-N 3.05Å; A227-L229 HydrophobicContact CB-CD2 4.08Å; A227-L229 HydrophobicContact CB-CG 3.96Å; A227-L229 PolarHBondContact O-N 3.11Å |
| 228 | G | 92.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 22% | 0.216 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 21.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D224 A225 M226 A230 L231 | D224-G228 PolarHBondContact O-N 3.16Å; A225-G228 PolarHBondContact O-N 2.62Å; M226-G228 PolarHBondContact O-N 2.92Å; G228-A230 PolarHBondContact O-N 2.87Å; G228-A230 VanDerWaalsContact O-N 3.1Å; G228-L231 PolarHBondContact O-N 2.97Å |
| 229 | L | 91.8 | Very high | 89 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -64.3 | -22 | -170.3 | -60.7 | -171.8 | 0 | 0 | 0 | 113.5 | R138 D224 A227 L231 N232 P880 F882 | R138-L229 PolarHBondContact NH1-O 2.98Å; D224-L229 HydrophobicContact CB-CD1 3.81Å; D224-L229 HydrophobicContact CB-CG 4.35Å; D224-L229 WeakPolarHBondContact O-CG 3.32Å; D224-L229 PolarHBondContact O-N 2.84Å; D224-L229 VanDerWaalsContact O-N 3.07Å; D224-L229 WeakPolarHBondContact OD1-CD1 3.32Å; A227-L229 HydrophobicContact CB-CD2 4.08Å; A227-L229 HydrophobicContact CB-CG 3.96Å; A227-L229 PolarHBondContact O-N 3.11Å; L229-L231 PolarHBondContact O-N 3.21Å; L229-L231 VanDerWaalsContact O-N 3.15Å; L229-N232 PolarHBondContact O-N 3.15Å; L229-N232 VanDerWaalsContact O-N 3.12Å; L229-P880 HydrophobicContact CD1-CB 3.96Å; L229-F882 HydrophobicContact CB-CE2 3.79Å; L229-F882 HydrophobicContact CB-CZ 4.18Å; L229-F882 HydrophobicContact CD1-CD2 4.2Å; L229-F882 HydrophobicContact CD1-CE2 3.75Å; L229-F882 HydrophobicContact CG-CE2 4.39Å |
| 230 | A | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -61 | -21.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R138 L141 M145 G228 | R138-A230 HydrophobicContact CG-CB 4.38Å; R138-A230 PolarHBondContact NH1-O 3.43Å; L141-A230 HydrophobicContact CB-CB 3.71Å; M145-A230 HydrophobicContact SD-CB 3.49Å; M145-A230 WeakPolarHBondContact SD-CB 3.17Å; G228-A230 PolarHBondContact O-N 2.87Å; G228-A230 VanDerWaalsContact O-N 3.1Å |
| 231 | L | 95.4 | Very high | 89.8 | Confident | 98 Ų | 98 | 53.9 Ų | 53.9 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -98.4 | -13 | 178.2 | -58.2 | 178.5 | 0 | 0 | 0 | 113 | Y142 M145 L174 G228 L229 V233 | Y142-L231 HydrophobicContact CD2-CD2 4.11Å; Y142-L231 HydrophobicContact CE2-CD2 3.94Å; M145-L231 HydrophobicContact CE-CD1 3.7Å; M145-L231 HydrophobicContact CE-CG 3.8Å; L174-L231 HydrophobicContact CD2-CD2 4.47Å; G228-L231 PolarHBondContact O-N 2.97Å; L229-L231 PolarHBondContact O-N 3.21Å; L229-L231 VanDerWaalsContact O-N 3.15Å; L231-V233 PolarHBondContact O-N 2.9Å |
| 232 | N | 95.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | trans | -80.2 | 109.6 | 175.3 | -175 | -19.2 | 0 | 0 | 0 | 109.7 | R138 L229 E234 Q235 | R138-N232 VanDerWaalsContact CZ-O 3.3Å; R138-N232 PolarHBondContact NH1-O 3.34Å; R138-N232 PolarHBondContact NH2-O 2.92Å; L229-N232 PolarHBondContact O-N 3.15Å; L229-N232 VanDerWaalsContact O-N 3.12Å; N232-E234 VanDerWaalsContact C-N 3.27Å; N232-E234 PolarHBondContact O-N 3.41Å; N232-E234 WeakPolarHBondContact OD1-CB 3.42Å; N232-E234 PolarHBondContact OD1-N 3.32Å; N232-Q235 HydrophobicContact CB-CB 4.47Å; N232-Q235 HydrophobicContact CB-CG 4.04Å; N232-Q235 PolarHBondContact O-N 3.43Å | ||
| 233 | V | 95.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -23.1 | -176.8 | -65 | 0 | 0 | 0 | 0 | 114 | L174 A178 Y180 L231 Q235 | L174-V233 HydrophobicContact CD1-CG1 3.83Å; L174-V233 HydrophobicContact CD2-CG1 4.11Å; L174-V233 HydrophobicContact CG-CG1 3.68Å; A178-V233 HydrophobicContact CB-CB 4.04Å; A178-V233 HydrophobicContact CB-CG1 3.76Å; A178-V233 HydrophobicContact CB-CG2 4.08Å; Y180-V233 HydrophobicContact CD2-CB 4.08Å; Y180-V233 HydrophobicContact CD2-CG2 4.29Å; Y180-V233 HydrophobicContact CE2-CB 4.02Å; Y180-V233 HydrophobicContact CE2-CG2 3.79Å; L231-V233 PolarHBondContact O-N 2.9Å; V233-Q235 VanDerWaalsContact C-N 3.26Å; V233-Q235 PolarHBondContact O-N 3.27Å |
| 234 | E | 92.3 | Very high | 90.4 | Very high | 121 Ų | 121 | 56 Ų | 56 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -9.2 | -179.8 | -54.9 | -172.1 | 161.5 | 0 | 0 | 113.1 | N232 P236 T237 | N232-E234 VanDerWaalsContact C-N 3.27Å; N232-E234 PolarHBondContact O-N 3.41Å; N232-E234 WeakPolarHBondContact OD1-CB 3.42Å; N232-E234 PolarHBondContact OD1-N 3.32Å; E234-P236 CarbonylContact O-C 3.53Å; E234-P236 VanDerWaalsContact O-O 3.11Å; E234-T237 VanDerWaalsContact O-CA 3.28Å; E234-T237 WeakPolarHBondContact O-CA 3.06Å; E234-T237 PolarHBondContact O-N 2.83Å |
| 235 | Q | 89.4 | Confident | 90.5 | Very high | 27 Ų | 27 | 56.6 Ų | 56.6 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 143.8 | -178.4 | -66.7 | -63.7 | -24.8 | 0 | 0 | 112.7 | R138 N232 V233 F882 | R138-Q235 PolarHBondContact NH2-O 2.74Å; N232-Q235 HydrophobicContact CB-CB 4.47Å; N232-Q235 HydrophobicContact CB-CG 4.04Å; N232-Q235 PolarHBondContact O-N 3.43Å; V233-Q235 VanDerWaalsContact C-N 3.26Å; V233-Q235 PolarHBondContact O-N 3.27Å; Q235-F882 HydrophobicContact CB-CD2 3.97Å; Q235-F882 HydrophobicContact CB-CE2 3.53Å; Q235-F882 HydrophobicContact CB-CZ 4.26Å; Q235-F882 HydrophobicContact CG-CE2 4.24Å |
| 236 | P | 88 | Confident | 90.6 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 7% | 0.065 | 33% | 0.331 | C | S | . | . | S | Bend | cis | -58.9 | 142.3 | -18.7 | 26.8 | -34.7 | 0 | 0 | 0 | 111.1 | F134 E234 K241 F882 | F134-P236 HydrophobicContact CB-CG 4.11Å; F134-P236 HydrophobicContact CD1-CG 3.78Å; F134-P236 HydrophobicContact CD2-CG 4Å; F134-P236 HydrophobicContact CE1-CG 4.13Å; F134-P236 HydrophobicContact CE2-CG 4.37Å; F134-P236 HydrophobicContact CG-CG 3.7Å; F134-P236 HydrophobicContact CZ-CG 4.41Å; E234-P236 CarbonylContact O-C 3.53Å; E234-P236 VanDerWaalsContact O-O 3.11Å; P236-K241 HydrophobicContact CB-CG 4.06Å; P236-K241 HydrophobicContact CG-CD 4.41Å; P236-K241 HydrophobicContact CG-CG 3.65Å; P236-F882 HydrophobicContact CB-CB 3.77Å; P236-F882 HydrophobicContact CB-CD1 4.49Å; P236-F882 HydrophobicContact CB-CG 4.04Å |
| 237 | T | 89.1 | Confident | 90.5 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 28% | 0.282 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 157.2 | 175 | 65.6 | 0 | 0 | 0 | 0 | 111 | E234 V239 S240 K241 | E234-T237 VanDerWaalsContact O-CA 3.28Å; E234-T237 WeakPolarHBondContact O-CA 3.06Å; E234-T237 PolarHBondContact O-N 2.83Å; T237-V239 PolarHBondContact O-N 3.28Å; T237-V239 VanDerWaalsContact O-N 3.13Å; T237-S240 PolarHBondContact O-N 3.4Å; T237-S240 PolarHBondContact OG1-N 3.44Å; T237-S240 PolarHBondContact OG1-OG 3.47Å; T237-K241 PolarHBondContact O-N 2.99Å |
| 238 | S | 91 | Very high | 90.4 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 73% | 0.727 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -54.6 | -34.7 | 176.9 | -52 | 0 | 0 | 0 | 0 | 112.9 | K242 | S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 PolarHBondContact O-N 3.39Å |
| 239 | V | 89.9 | Confident | 90.3 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 62% | 0.618 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | T237 K241 K242 I243 | T237-V239 PolarHBondContact O-N 3.28Å; T237-V239 VanDerWaalsContact O-N 3.13Å; V239-K241 PolarHBondContact O-N 3Å; V239-K242 PolarHBondContact O-N 2.8Å; V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CG1 3.45Å; V239-I243 PolarHBondContact O-N 3.11Å |
| 240 | S | 87.1 | Confident | 90.2 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | T237 K242 I243 Y244 | T237-S240 PolarHBondContact O-N 3.4Å; T237-S240 PolarHBondContact OG1-N 3.44Å; T237-S240 PolarHBondContact OG1-OG 3.47Å; S240-K242 VanDerWaalsContact C-N 3.33Å; S240-K242 PolarHBondContact O-N 3.15Å; S240-I243 PolarHBondContact O-N 2.83Å; S240-Y244 WeakPolarHBondContact O-CB 3.47Å; S240-Y244 PolarHBondContact O-N 2.8Å |
| 241 | K | 87.7 | Confident | 89.9 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 30% | 0.3 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 172.8 | -71.8 | -165.4 | 171.6 | -159.2 | 0 | 111.5 | D131 F134 P236 T237 V239 Y244 L245 | D131-K241 IonicContact OD1-NZ 2.69Å; D131-K241 PolarHBondContact OD1-NZ 3.15Å; F134-K241 HydrophobicContact CD2-CD 4.25Å; F134-K241 HydrophobicContact CD2-CG 4.15Å; F134-K241 HydrophobicContact CE2-CB 4.11Å; F134-K241 HydrophobicContact CE2-CD 3.99Å; F134-K241 HydrophobicContact CE2-CG 3.63Å; F134-K241 HydrophobicContact CZ-CB 4.29Å; F134-K241 HydrophobicContact CZ-CG 4.05Å; P236-K241 HydrophobicContact CB-CG 4.06Å; P236-K241 HydrophobicContact CG-CD 4.41Å; P236-K241 HydrophobicContact CG-CG 3.65Å; T237-K241 PolarHBondContact O-N 2.99Å; V239-K241 PolarHBondContact O-N 3Å; K241-Y244 PolarHBondContact O-N 3.2Å; K241-L245 WeakPolarHBondContact O-CG 3.39Å; K241-L245 PolarHBondContact O-N 3.07Å |
| 242 | K | 90.4 | Very high | 89.6 | Confident | 116 Ų | 116 | 57 Ų | 57 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | -179.9 | -177.1 | 54.7 | 175.6 | 157.7 | 0 | 111.8 | S238 V239 S240 Y244 L245 D246 | S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 PolarHBondContact O-N 3.39Å; V239-K242 PolarHBondContact O-N 2.8Å; S240-K242 VanDerWaalsContact C-N 3.33Å; S240-K242 PolarHBondContact O-N 3.15Å; K242-Y244 VanDerWaalsContact C-N 3.33Å; K242-Y244 PolarHBondContact O-N 2.94Å; K242-L245 PolarHBondContact O-N 2.8Å; K242-D246 VanDerWaalsContact CE-OD1 3.27Å; K242-D246 WeakPolarHBondContact CE-OD1 3.22Å; K242-D246 WeakPolarHBondContact CE-OD2 3.45Å; K242-D246 IonicContact NZ-OD1 3.68Å; K242-D246 PolarHBondContact NZ-OD1 2.82Å; K242-D246 IonicContact NZ-OD2 3.72Å; K242-D246 WeakPolarHBondContact O-CB 3.42Å; K242-D246 VanDerWaalsContact O-CG 3.23Å; K242-D246 PolarHBondContact O-N 3.35Å |
| 243 | I | 88.1 | Confident | 89.4 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.3 | -69.5 | 167.2 | 0 | 0 | 0 | 110.9 | V239 S240 D246 W247 A884 | V239-I243 HydrophobicContact CG1-CD1 3.92Å; V239-I243 WeakPolarHBondContact O-CG1 3.45Å; V239-I243 PolarHBondContact O-N 3.11Å; S240-I243 PolarHBondContact O-N 2.83Å; I243-D246 PolarHBondContact O-N 2.96Å; I243-W247 WeakPolarHBondContact O-CB 3.49Å; I243-W247 PolarHBondContact O-N 2.74Å; I243-A884 HydrophobicContact CG2-CB 3.93Å |
| 244 | Y | 86.8 | Confident | 89.1 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 178.9 | -179.2 | -100 | 0 | 0 | 0 | 112.1 | V100 E111 A130 F134 S240 K241 K242 W247 L248 | V100-Y244 HydrophobicContact CG1-CE2 4.47Å; E111-Y244 PolarHBondContact OE1-OH 2.96Å; A130-Y244 HydrophobicContact CB-CD1 4.27Å; A130-Y244 HydrophobicContact CB-CE1 4.04Å; F134-Y244 AromaticContact CE1-CD1 3.49Å; F134-Y244 HydrophobicContact CE1-CD1 3.49Å; F134-Y244 VanDerWaalsContact CE1-CD1 3.49Å; F134-Y244 HydrophobicContact CE1-CD2 4.48Å; F134-Y244 AromaticContact CE1-CE1 3.89Å; F134-Y244 HydrophobicContact CE1-CE1 3.89Å; F134-Y244 AromaticContact CE1-CG 3.81Å; F134-Y244 HydrophobicContact CE1-CG 3.81Å; F134-Y244 HydrophobicContact CE2-CD1 4.45Å; F134-Y244 AromaticContact CZ-CD1 3.34Å; F134-Y244 HydrophobicContact CZ-CD1 3.34Å; F134-Y244 HydrophobicContact CZ-CE1 4Å; F134-Y244 AromaticContact CZ-CG 3.88Å; F134-Y244 HydrophobicContact CZ-CG 3.88Å; S240-Y244 WeakPolarHBondContact O-CB 3.47Å; S240-Y244 PolarHBondContact O-N 2.8Å; K241-Y244 PolarHBondContact O-N 3.2Å; K242-Y244 VanDerWaalsContact C-N 3.33Å; K242-Y244 PolarHBondContact O-N 2.94Å; Y244-W247 HydrophobicContact CD2-CE3 4.26Å; Y244-W247 HydrophobicContact CE2-CE3 4.18Å; Y244-W247 HydrophobicContact CE2-CZ3 4.12Å; Y244-W247 PolarHBondContact O-N 3.07Å; Y244-L248 HydrophobicContact CD1-CD1 3.78Å; Y244-L248 HydrophobicContact CD1-CG 4.29Å; Y244-L248 HydrophobicContact CE1-CD1 3.24Å; Y244-L248 HydrophobicContact CE1-CG 3.94Å; Y244-L248 WeakPolarHBondContact O-CG 3.49Å; Y244-L248 PolarHBondContact O-N 2.83Å |
| 245 | L | 89.6 | Confident | 89 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.2 | -76 | 170.7 | 0 | 0 | 0 | 112.5 | L126 E127 A130 K241 K242 W247 L248 Q249 | L126-L245 HydrophobicContact CG-CD2 4.38Å; E127-L245 HydrophobicContact CG-CD1 4.39Å; A130-L245 HydrophobicContact CB-CD2 3.56Å; A130-L245 HydrophobicContact CB-CG 4.45Å; K241-L245 WeakPolarHBondContact O-CG 3.39Å; K241-L245 PolarHBondContact O-N 3.07Å; K242-L245 PolarHBondContact O-N 2.8Å; L245-W247 VanDerWaalsContact C-N 3.29Å; L245-W247 PolarHBondContact O-N 2.68Å; L245-L248 PolarHBondContact O-N 3.44Å; L245-Q249 WeakPolarHBondContact O-CB 3.31Å; L245-Q249 PolarHBondContact O-N 2.79Å |
| 246 | D | 90.7 | Very high | 88.9 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.9 | -69.2 | -17.4 | 0 | 0 | 0 | 110.5 | K242 I243 Q249 E250 | K242-D246 VanDerWaalsContact CE-OD1 3.27Å; K242-D246 WeakPolarHBondContact CE-OD1 3.22Å; K242-D246 WeakPolarHBondContact CE-OD2 3.45Å; K242-D246 IonicContact NZ-OD1 3.68Å; K242-D246 PolarHBondContact NZ-OD1 2.82Å; K242-D246 IonicContact NZ-OD2 3.72Å; K242-D246 WeakPolarHBondContact O-CB 3.42Å; K242-D246 VanDerWaalsContact O-CG 3.23Å; K242-D246 PolarHBondContact O-N 3.35Å; I243-D246 PolarHBondContact O-N 2.96Å; D246-Q249 PolarHBondContact O-N 2.82Å; D246-E250 WeakPolarHBondContact O-CB 3.45Å; D246-E250 PolarHBondContact O-N 2.83Å |
| 247 | W | 87.4 | Confident | 88.8 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 17% | 0.167 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.9 | 174.8 | 74.4 | 0 | 0 | 0 | 113 | V100 I243 Y244 L245 Q249 E250 K251 W272 | V100-W247 HydrophobicContact CB-CH2 3.94Å; V100-W247 HydrophobicContact CB-CZ3 4.26Å; V100-W247 HydrophobicContact CG1-CE3 4.33Å; V100-W247 HydrophobicContact CG1-CH2 3.51Å; V100-W247 HydrophobicContact CG1-CZ2 4.11Å; V100-W247 HydrophobicContact CG1-CZ3 3.61Å; V100-W247 HydrophobicContact CG2-CH2 3.54Å; V100-W247 HydrophobicContact CG2-CZ3 3.72Å; I243-W247 WeakPolarHBondContact O-CB 3.49Å; I243-W247 PolarHBondContact O-N 2.74Å; Y244-W247 HydrophobicContact CD2-CE3 4.26Å; Y244-W247 HydrophobicContact CE2-CE3 4.18Å; Y244-W247 HydrophobicContact CE2-CZ3 4.12Å; Y244-W247 PolarHBondContact O-N 3.07Å; L245-W247 VanDerWaalsContact C-N 3.29Å; L245-W247 PolarHBondContact O-N 2.68Å; W247-Q249 VanDerWaalsContact C-N 3.31Å; W247-Q249 PolarHBondContact O-N 3.01Å; W247-E250 PolarHBondContact O-N 3.45Å; W247-K251 HydrophobicContact CH2-CD 3.91Å; W247-K251 HydrophobicContact CZ2-CD 3.86Å; W247-K251 WeakPolarHBondContact O-CB 3.29Å; W247-K251 PolarHBondContact O-N 3.12Å; W247-W272 HydrophobicContact CZ2-CB 4.47Å; W247-W272 HydrophobicContact CZ2-CG 4.32Å; W247-W272 AromaticContact NE1-CD1 3.78Å; W247-W272 AromaticContact NE1-NE1 3.87Å |
| 248 | L | 88.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.3 | -76.2 | 179 | 0 | 0 | 0 | 111.6 | E111 V112 L126 A130 Y244 L245 K251 K252 | E111-L248 HydrophobicContact CB-CD1 3.84Å; E111-L248 HydrophobicContact CB-CD2 3.82Å; E111-L248 HydrophobicContact CG-CD1 4.24Å; V112-L248 HydrophobicContact CG1-CB 4.45Å; V112-L248 HydrophobicContact CG1-CD2 3.83Å; L126-L248 HydrophobicContact CD1-CB 4.2Å; L126-L248 HydrophobicContact CD1-CD1 3.99Å; L126-L248 HydrophobicContact CD2-CB 3.87Å; L126-L248 HydrophobicContact CG-CB 4.37Å; L126-L248 HydrophobicContact CG-CD1 4.36Å; A130-L248 HydrophobicContact CB-CD1 4.33Å; Y244-L248 HydrophobicContact CD1-CD1 3.78Å; Y244-L248 HydrophobicContact CD1-CG 4.29Å; Y244-L248 HydrophobicContact CE1-CD1 3.24Å; Y244-L248 HydrophobicContact CE1-CG 3.94Å; Y244-L248 WeakPolarHBondContact O-CG 3.49Å; Y244-L248 PolarHBondContact O-N 2.83Å; L245-L248 PolarHBondContact O-N 3.44Å; L248-K251 PolarHBondContact O-N 3.12Å; L248-K252 WeakPolarHBondContact O-CB 3.3Å; L248-K252 PolarHBondContact O-N 3.48Å |
| 249 | Q | 91 | Very high | 88.3 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 179.3 | -173.8 | 57.1 | 51.3 | 0 | 0 | 112 | L126 L245 D246 W247 K251 K252 T253 | L126-Q249 HydrophobicContact CD2-CB 4.31Å; L245-Q249 WeakPolarHBondContact O-CB 3.31Å; L245-Q249 PolarHBondContact O-N 2.79Å; D246-Q249 PolarHBondContact O-N 2.82Å; W247-Q249 VanDerWaalsContact C-N 3.31Å; W247-Q249 PolarHBondContact O-N 3.01Å; Q249-K251 VanDerWaalsContact C-N 3.34Å; Q249-K252 PolarHBondContact O-N 3.31Å; Q249-T253 PolarHBondContact NE2-OG1 3.48Å; Q249-T253 WeakPolarHBondContact O-CB 3.32Å; Q249-T253 PolarHBondContact O-N 3.37Å; Q249-T253 PolarHBondContact O-OG1 2.86Å |
| 250 | E | 88.7 | Confident | 87.9 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57 | -49.4 | 172.6 | -176.3 | -171.1 | 168.1 | 0 | 0 | 110.6 | D246 W247 T253 Y254 | D246-E250 WeakPolarHBondContact O-CB 3.45Å; D246-E250 PolarHBondContact O-N 2.83Å; W247-E250 PolarHBondContact O-N 3.45Å; E250-T253 PolarHBondContact O-N 2.93Å; E250-Y254 WeakPolarHBondContact O-CB 3.49Å; E250-Y254 PolarHBondContact O-N 3.4Å |
| 251 | K | 87.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 179.2 | -176.3 | 176.8 | -179 | -174 | 0 | 112.4 | G98 C109 V112 W247 L248 Q249 T253 Y254 L255 W272 | G98-K251 VanDerWaalsContact O-CE 3.29Å; G98-K251 WeakPolarHBondContact O-CE 3.31Å; G98-K251 PolarHBondContact O-NZ 3.19Å; C109-K251 PolarHBondContact SG-NZ 3.37Å; V112-K251 HydrophobicContact CG1-CB 4.38Å; V112-K251 HydrophobicContact CG1-CD 4.21Å; V112-K251 HydrophobicContact CG1-CG 4.3Å; W247-K251 HydrophobicContact CH2-CD 3.91Å; W247-K251 HydrophobicContact CZ2-CD 3.86Å; W247-K251 WeakPolarHBondContact O-CB 3.29Å; W247-K251 PolarHBondContact O-N 3.12Å; L248-K251 PolarHBondContact O-N 3.12Å; Q249-K251 VanDerWaalsContact C-N 3.34Å; K251-T253 VanDerWaalsContact C-N 3.3Å; K251-T253 PolarHBondContact O-N 2.7Å; K251-Y254 PolarHBondContact O-N 3.46Å; K251-L255 HydrophobicContact CG-CD1 4.05Å; K251-L255 WeakPolarHBondContact O-CB 3.41Å; K251-L255 VanDerWaalsContact O-CG 3.28Å; K251-L255 WeakPolarHBondContact O-CG 3.14Å; K251-L255 PolarHBondContact O-N 3.04Å; K251-W272 HydrophobicContact CB-CH2 4.44Å; K251-W272 HydrophobicContact CB-CZ2 4.33Å; K251-W272 HydrophobicContact CD-CD2 4.19Å; K251-W272 HydrophobicContact CD-CE3 4.12Å; K251-W272 HydrophobicContact CD-CZ3 4.47Å; K251-W272 HydrophobicContact CG-CD2 4.22Å; K251-W272 HydrophobicContact CG-CE3 3.95Å; K251-W272 HydrophobicContact CG-CH2 3.91Å; K251-W272 HydrophobicContact CG-CZ2 4.14Å; K251-W272 HydrophobicContact CG-CZ3 3.81Å |
| 252 | K | 88.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 57 Ų | 57 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 175.3 | -175 | 173.5 | -179.3 | 176.3 | 0 | 110.7 | V112 L248 Q249 L255 S256 | V112-K252 HydrophobicContact CB-CB 4.16Å; V112-K252 HydrophobicContact CG1-CB 4.21Å; L248-K252 WeakPolarHBondContact O-CB 3.3Å; L248-K252 PolarHBondContact O-N 3.48Å; Q249-K252 PolarHBondContact O-N 3.31Å; K252-L255 PolarHBondContact O-N 3.32Å; K252-S256 PolarHBondContact O-N 3.31Å; K252-S256 PolarHBondContact O-OG 3Å |
| 253 | T | 90.1 | Very high | 87.9 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 39% | 0.387 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -46 | 180 | -54 | 0 | 0 | 0 | 0 | 111.4 | Q249 E250 K251 L255 S256 L257 | Q249-T253 PolarHBondContact NE2-OG1 3.48Å; Q249-T253 WeakPolarHBondContact O-CB 3.32Å; Q249-T253 PolarHBondContact O-N 3.37Å; Q249-T253 PolarHBondContact O-OG1 2.86Å; E250-T253 PolarHBondContact O-N 2.93Å; K251-T253 VanDerWaalsContact C-N 3.3Å; K251-T253 PolarHBondContact O-N 2.7Å; T253-L255 VanDerWaalsContact C-N 3.33Å; T253-L255 PolarHBondContact O-N 3.4Å; T253-S256 PolarHBondContact O-N 2.76Å; T253-L257 HydrophobicContact CG2-CD1 4.03Å; T253-L257 WeakPolarHBondContact O-CG 3.46Å; T253-L257 PolarHBondContact O-N 2.91Å; T253-L257 VanDerWaalsContact O-N 3.07Å |
| 254 | Y | 89.4 | Confident | 88 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 176.6 | 179.4 | -86 | 0 | 0 | 0 | 111.9 | P95 E250 K251 L257 N258 H270 W272 | P95-Y254 HydrophobicContact CB-CE1 4.24Å; E250-Y254 WeakPolarHBondContact O-CB 3.49Å; E250-Y254 PolarHBondContact O-N 3.4Å; K251-Y254 PolarHBondContact O-N 3.46Å; Y254-L257 PolarHBondContact O-N 3.43Å; Y254-N258 HydrophobicContact CD1-CB 4.37Å; Y254-N258 VanDerWaalsContact CD2-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.5Å; Y254-N258 HydrophobicContact CE1-CB 4Å; Y254-N258 HydrophobicContact CE2-CB 4.47Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.37Å; Y254-N258 WeakPolarHBondContact O-CB 3.29Å; Y254-N258 PolarHBondContact O-N 2.96Å; Y254-N258 PolarHBondContact O-ND2 3.42Å; Y254-H270 AromaticContact CD2-NE2 3.51Å; Y254-H270 AromaticContact CE2-CD2 3.64Å; Y254-H270 AromaticContact CE2-NE2 3.2Å; Y254-H270 WeakPolarHBondContact CE2-NE2 3.22Å; Y254-H270 AromaticContact CZ-CD2 3.63Å; Y254-H270 AromaticContact CZ-NE2 3.73Å; Y254-W272 AromaticContact CD1-CH2 3.48Å; Y254-W272 HydrophobicContact CD1-CH2 3.48Å; Y254-W272 VanDerWaalsContact CD1-CH2 3.48Å; Y254-W272 HydrophobicContact CD1-CZ3 4.13Å; Y254-W272 HydrophobicContact CE1-CH2 4.08Å; Y254-W272 AromaticContact CG-CH2 3.85Å; Y254-W272 HydrophobicContact CG-CH2 3.85Å |
| 255 | L | 89.3 | Confident | 87.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -40.5 | -179.9 | -70.9 | 167.6 | 0 | 0 | 0 | 112.1 | A97 V112 K251 K252 T253 L257 G259 W272 P438 F454 | A97-L255 HydrophobicContact CB-CD1 3.62Å; V112-L255 HydrophobicContact CG2-CD1 4.02Å; K251-L255 HydrophobicContact CG-CD1 4.05Å; K251-L255 WeakPolarHBondContact O-CB 3.41Å; K251-L255 VanDerWaalsContact O-CG 3.28Å; K251-L255 WeakPolarHBondContact O-CG 3.14Å; K251-L255 PolarHBondContact O-N 3.04Å; K252-L255 PolarHBondContact O-N 3.32Å; T253-L255 VanDerWaalsContact C-N 3.33Å; T253-L255 PolarHBondContact O-N 3.4Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.14Å; L255-G259 WeakPolarHBondContact O-CA 3.21Å; L255-G259 PolarHBondContact O-N 3.23Å; L255-W272 HydrophobicContact CD2-CZ3 4.44Å; L255-P438 HydrophobicContact CB-CG 4.36Å; L255-F454 WeakPolarHBondContact O-CZ 3.38Å |
| 256 | S | 87.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -36 | 173.9 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | K252 T253 | K252-S256 PolarHBondContact O-N 3.31Å; K252-S256 PolarHBondContact O-OG 3Å; T253-S256 PolarHBondContact O-N 2.76Å |
| 257 | L | 86.3 | Confident | 86.9 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -80.5 | -37.7 | -179.3 | -68.7 | 172.9 | 0 | 0 | 0 | 113.9 | T253 Y254 L255 | T253-L257 HydrophobicContact CG2-CD1 4.03Å; T253-L257 WeakPolarHBondContact O-CG 3.46Å; T253-L257 PolarHBondContact O-N 2.91Å; T253-L257 VanDerWaalsContact O-N 3.07Å; Y254-L257 PolarHBondContact O-N 3.43Å; L255-L257 VanDerWaalsContact C-N 3.28Å; L255-L257 PolarHBondContact O-N 3.14Å |
| 258 | N | 86.9 | Confident | 86.4 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -114.8 | -16.1 | -169.4 | -60.7 | -76.4 | 0 | 0 | 0 | 113.7 | Y254 S260 C261 | Y254-N258 HydrophobicContact CD1-CB 4.37Å; Y254-N258 VanDerWaalsContact CD2-ND2 3.33Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.5Å; Y254-N258 HydrophobicContact CE1-CB 4Å; Y254-N258 HydrophobicContact CE2-CB 4.47Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.37Å; Y254-N258 WeakPolarHBondContact O-CB 3.29Å; Y254-N258 PolarHBondContact O-N 2.96Å; Y254-N258 PolarHBondContact O-ND2 3.42Å; N258-S260 PolarHBondContact O-N 3.03Å; N258-C261 WeakPolarHBondContact O-CB 3.11Å; N258-C261 PolarHBondContact O-N 3.43Å |
| 259 | G | 81.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S94 L255 Y455 | S94-G259 WeakPolarHBondContact CB-O 3.37Å; S94-G259 PolarHBondContact OG-O 3.22Å; L255-G259 WeakPolarHBondContact O-CA 3.21Å; L255-G259 PolarHBondContact O-N 3.23Å; G259-Y455 WeakPolarHBondContact O-CD1 3.22Å; G259-Y455 WeakPolarHBondContact O-CE1 3.37Å |
| 260 | S | 82.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8 | 172.5 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | N258 K262 F454 | N258-S260 PolarHBondContact O-N 3.03Å; S260-K262 PolarHBondContact O-N 2.91Å; S260-K262 VanDerWaalsContact O-N 3.12Å; S260-F454 WeakPolarHBondContact CB-O 3.5Å |
| 261 | C | 84.2 | Confident | 84.3 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 48% | 0.48 | 35% | 0.347 | S | S | . | . | trans | -79 | 97 | -176.6 | -170.8 | 0 | 0 | 0 | 0 | 112 | S94 N258 S263 | S94-C261 PolarHBondContact OG-O 3.05Å; N258-C261 WeakPolarHBondContact O-CB 3.11Å; N258-C261 PolarHBondContact O-N 3.43Å; C261-S263 PolarHBondContact O-N 3.43Å | ||
| 262 | K | 89.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 71.6 Ų | 71.6 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | trans | -63.7 | 125 | 176.7 | -50.3 | -167.4 | 177.3 | -177.5 | 0 | 110.6 | S260 L278 Y455 | S260-K262 PolarHBondContact O-N 2.91Å; S260-K262 VanDerWaalsContact O-N 3.12Å; K262-L278 HydrophobicContact CB-CD1 3.89Å; K262-L278 HydrophobicContact CD-CD1 3.7Å; K262-L278 HydrophobicContact CG-CD1 3.47Å; K262-L278 VanDerWaalsContact CG-CD1 3.47Å; K262-Y455 WeakPolarHBondContact CE-O 3.36Å | ||
| 263 | S | 91.5 | Very high | 83.6 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160 | 179.9 | 54 | 0 | 0 | 0 | 0 | 112.3 | T93 C261 R275 | T93-S263 CarbonylContact C-O 3.48Å; T93-S263 WeakPolarHBondContact CA-O 3.35Å; T93-S263 PolarHBondContact N-O 3.2Å; T93-S263 PolarHBondContact O-N 2.77Å; T93-S263 PolarHBondContact OG1-O 3.31Å; C261-S263 PolarHBondContact O-N 3.43Å; S263-R275 PolarHBondContact O-NH1 3.38Å; S263-R275 PolarHBondContact OG-NH1 3.31Å; S263-R275 PolarHBondContact OG-NH2 3.09Å; S263-R275 VanDerWaalsContact OG-NH2 3.09Å |
| 264 | I | 89.8 | Confident | 83.5 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.7 | 171.8 | -62.9 | 168.4 | 0 | 0 | 0 | 108.8 | K90 R266 R275 | K90-I264 HydrophobicContact CB-CD1 3.81Å; K90-I264 HydrophobicContact CB-CG1 4.32Å; K90-I264 HydrophobicContact CD-CD1 4.49Å; K90-I264 HydrophobicContact CG-CD1 4.04Å; I264-R266 PolarHBondContact O-N 3.05Å; I264-R275 PolarHBondContact O-NH1 2.66Å |
| 265 | A | 84.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -53.1 | 113.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F83 A86 S87 T93 | F83-A265 HydrophobicContact CD2-CB 4Å; F83-A265 HydrophobicContact CE2-CB 3.73Å; F83-A265 HydrophobicContact CZ-CB 4.03Å; A86-A265 HydrophobicContact CB-CB 3.84Å; S87-A265 WeakPolarHBondContact CA-O 3.03Å; S87-A265 WeakPolarHBondContact CB-O 3.3Å; S87-A265 PolarHBondContact OG-O 2.88Å; T93-A265 HydrophobicContact CG2-CB 4.41Å; T93-A265 PolarHBondContact OG1-N 3.33Å |
| 266 | R | 81.4 | Confident | 83.8 | Confident | 172 Ų | 172 | 66.1 Ų | 66.1 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | trans | -137.3 | -174.7 | 178.5 | -70 | -178.8 | -175 | 168 | 2.9 | 108.3 | F83 I264 T268 | F83-R266 VanDerWaalsContact CE1-O 3.23Å; F83-R266 WeakPolarHBondContact CE1-O 3.31Å; F83-R266 WeakPolarHBondContact CZ-O 3.44Å; I264-R266 PolarHBondContact O-N 3.05Å; R266-T268 PolarHBondContact O-N 3Å | ||
| 267 | R | 77.5 | Confident | 84.1 | Confident | 197 Ų | 197 | 63.9 Ų | 63.9 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | trans | -47.7 | 130 | 177.4 | -177.5 | 170.6 | -176.1 | -168 | 0.2 | 111.3 | N75 | N75-R267 WeakPolarHBondContact ND2-CB 3.26Å; N75-R267 VanDerWaalsContact ND2-CG 3.35Å; N75-R267 WeakPolarHBondContact ND2-CG 3.15Å; N75-R267 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 268 | T | 77.9 | Confident | 84.5 | Confident | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | trans | -80.1 | 141.2 | 172.5 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | C73 F83 R266 E273 | C73-T268 HydrophobicContact CB-CG2 3.47Å; C73-T268 VanDerWaalsContact CB-CG2 3.47Å; C73-T268 PolarHBondContact O-OG1 3.01Å; F83-T268 HydrophobicContact CZ-CG2 4.03Å; R266-T268 PolarHBondContact O-N 3Å; T268-E273 HydrophobicContact CG2-CB 4.05Å; T268-E273 HydrophobicContact CG2-CG 4.1Å | ||
| 269 | D | 74.2 | Confident | 84.6 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -86.1 | -26.8 | 176.6 | -66.7 | -35.8 | 0 | 0 | 0 | 110.8 | ||
| 270 | H | 77.3 | Confident | 85.3 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -118.9 | 136.4 | -177.8 | -57 | -84.1 | 0 | 0 | 0 | 111.8 | Y254 W272 E273 | Y254-H270 AromaticContact CD2-NE2 3.51Å; Y254-H270 AromaticContact CE2-CD2 3.64Å; Y254-H270 AromaticContact CE2-NE2 3.2Å; Y254-H270 WeakPolarHBondContact CE2-NE2 3.22Å; Y254-H270 AromaticContact CZ-CD2 3.63Å; Y254-H270 AromaticContact CZ-NE2 3.73Å; H270-W272 HydrophobicContact CB-CD2 3.82Å; H270-W272 VanDerWaalsContact CB-CE2 3.46Å; H270-W272 HydrophobicContact CB-CE3 4.34Å; H270-W272 HydrophobicContact CB-CG 4.24Å; H270-W272 HydrophobicContact CB-CH2 4.22Å; H270-W272 HydrophobicContact CB-CZ2 3.7Å; H270-W272 AromaticContact CD2-CZ2 3.97Å; H270-W272 AromaticContact CG-CE2 3.73Å; H270-W272 AromaticContact CG-CZ2 3.47Å; H270-W272 VanDerWaalsContact CG-CZ2 3.47Å; H270-W272 AromaticContact ND1-CE2 3.9Å; H270-W272 AromaticContact ND1-CZ2 3.6Å; H270-W272 AromaticContact ND1-NE1 3.93Å; H270-W272 PolarHBondContact O-N 2.88Å; H270-E273 HydrophobicContact CB-CB 4.34Å; H270-E273 VanDerWaalsContact O-CB 3.31Å; H270-E273 WeakPolarHBondContact O-CB 3.39Å; H270-E273 PolarHBondContact O-N 2.95Å; H270-E273 VanDerWaalsContact O-N 3.08Å |
| 271 | K | 73.3 | Confident | 85.9 | Confident | 181 Ų | 181 | 57 Ų | 57 | 79% | 0.787 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.9 | 177.9 | -71.2 | -175.8 | 179.7 | 176.6 | 0 | 113.8 | ||
| 272 | W | 77.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 10% | 0.102 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.8 | 178 | 52.6 | -105.7 | 0 | 0 | 0 | 112.6 | G98 W247 K251 Y254 L255 H270 D274 | G98-W272 CarbonylContact C-O 3.51Å; G98-W272 WeakPolarHBondContact CA-O 3.41Å; G98-W272 PolarHBondContact N-O 3.28Å; W247-W272 HydrophobicContact CZ2-CB 4.47Å; W247-W272 HydrophobicContact CZ2-CG 4.32Å; W247-W272 AromaticContact NE1-CD1 3.78Å; W247-W272 AromaticContact NE1-NE1 3.87Å; K251-W272 HydrophobicContact CB-CH2 4.44Å; K251-W272 HydrophobicContact CB-CZ2 4.33Å; K251-W272 HydrophobicContact CD-CD2 4.19Å; K251-W272 HydrophobicContact CD-CE3 4.12Å; K251-W272 HydrophobicContact CD-CZ3 4.47Å; K251-W272 HydrophobicContact CG-CD2 4.22Å; K251-W272 HydrophobicContact CG-CE3 3.95Å; K251-W272 HydrophobicContact CG-CH2 3.91Å; K251-W272 HydrophobicContact CG-CZ2 4.14Å; K251-W272 HydrophobicContact CG-CZ3 3.81Å; Y254-W272 AromaticContact CD1-CH2 3.48Å; Y254-W272 HydrophobicContact CD1-CH2 3.48Å; Y254-W272 VanDerWaalsContact CD1-CH2 3.48Å; Y254-W272 HydrophobicContact CD1-CZ3 4.13Å; Y254-W272 HydrophobicContact CE1-CH2 4.08Å; Y254-W272 AromaticContact CG-CH2 3.85Å; Y254-W272 HydrophobicContact CG-CH2 3.85Å; L255-W272 HydrophobicContact CD2-CZ3 4.44Å; H270-W272 HydrophobicContact CB-CD2 3.82Å; H270-W272 VanDerWaalsContact CB-CE2 3.46Å; H270-W272 HydrophobicContact CB-CE3 4.34Å; H270-W272 HydrophobicContact CB-CG 4.24Å; H270-W272 HydrophobicContact CB-CH2 4.22Å; H270-W272 HydrophobicContact CB-CZ2 3.7Å; H270-W272 AromaticContact CD2-CZ2 3.97Å; H270-W272 AromaticContact CG-CE2 3.73Å; H270-W272 AromaticContact CG-CZ2 3.47Å; H270-W272 VanDerWaalsContact CG-CZ2 3.47Å; H270-W272 AromaticContact ND1-CE2 3.9Å; H270-W272 AromaticContact ND1-CZ2 3.6Å; H270-W272 AromaticContact ND1-NE1 3.93Å; H270-W272 PolarHBondContact O-N 2.88Å; W272-D274 PolarHBondContact O-N 3.15Å |
| 273 | E | 82.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 116.7 | -179.2 | -172.9 | -175.7 | 151.6 | 0 | 0 | 110.7 | C73 P95 T268 H270 R275 | C73-E273 WeakPolarHBondContact CB-O 3.4Å; P95-E273 HydrophobicContact CB-CG 4.47Å; T268-E273 HydrophobicContact CG2-CB 4.05Å; T268-E273 HydrophobicContact CG2-CG 4.1Å; H270-E273 HydrophobicContact CB-CB 4.34Å; H270-E273 VanDerWaalsContact O-CB 3.31Å; H270-E273 WeakPolarHBondContact O-CB 3.39Å; H270-E273 PolarHBondContact O-N 2.95Å; H270-E273 VanDerWaalsContact O-N 3.08Å; E273-R275 IonicContact OE1-CZ 2.8Å; E273-R275 IonicContact OE1-NE 2.8Å; E273-R275 PolarHBondContact OE1-NE 3.41Å; E273-R275 IonicContact OE1-NH2 2.94Å; E273-R275 PolarHBondContact OE1-NH2 3.4Å |
| 274 | D | 88.2 | Confident | 87.2 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 167.8 | 159.3 | -77.4 | -5.2 | 0 | 0 | 0 | 108.9 | L70 H71 G72 A96 G98 W272 | L70-D274 WeakPolarHBondContact O-CA 3.48Å; H71-D274 VanDerWaalsContact CA-OD1 3.24Å; H71-D274 WeakPolarHBondContact CA-OD1 3.41Å; H71-D274 IonicContact CE1-OD2 2.62Å; H71-D274 IonicContact CG-OD2 3.29Å; H71-D274 IonicContact ND1-OD2 3.73Å; H71-D274 PolarHBondContact ND1-OD2 2.83Å; G72-D274 PolarHBondContact N-OD1 2.82Å; A96-D274 PolarHBondContact N-O 2.73Å; A96-D274 PolarHBondContact O-N 3.19Å; A96-D274 VanDerWaalsContact O-N 3.11Å; A96-D274 VanDerWaalsContact O-O 3.14Å; G98-D274 VanDerWaalsContact CA-OD2 3.25Å; G98-D274 WeakPolarHBondContact CA-OD2 3.4Å; W272-D274 PolarHBondContact O-N 3.15Å |
| 275 | R | 91.4 | Very high | 87.6 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.2 | 176 | -71.8 | -152.7 | 154.5 | -146.2 | -10.5 | 112.8 | Y69 L70 F83 T93 S94 S263 I264 E273 | Y69-R275 CarbonylContact C-O 3.24Å; Y69-R275 WeakPolarHBondContact CA-O 3.44Å; L70-R275 HydrophobicContact CB-CB 4.35Å; L70-R275 PolarHBondContact N-O 2.79Å; L70-R275 PolarHBondContact O-N 2.91Å; F83-R275 HydrophobicContact CE2-CG 4.23Å; T93-R275 WeakPolarHBondContact OG1-CD 3.14Å; T93-R275 PolarHBondContact OG1-NH1 2.89Å; S94-R275 CarbonylContact O-C 3.5Å; S94-R275 VanDerWaalsContact O-CA 3.24Å; S94-R275 WeakPolarHBondContact O-CA 3.29Å; S263-R275 PolarHBondContact O-NH1 3.38Å; S263-R275 PolarHBondContact OG-NH1 3.31Å; S263-R275 PolarHBondContact OG-NH2 3.09Å; S263-R275 VanDerWaalsContact OG-NH2 3.09Å; I264-R275 PolarHBondContact O-NH1 2.66Å; E273-R275 IonicContact OE1-CZ 2.8Å; E273-R275 IonicContact OE1-NE 2.8Å; E273-R275 PolarHBondContact OE1-NE 3.41Å; E273-R275 IonicContact OE1-NH2 2.94Å; E273-R275 PolarHBondContact OE1-NH2 3.4Å |
| 276 | L | 93.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.8 | 168.7 | -176.2 | 70.9 | 0 | 0 | 0 | 109.2 | Y69 T93 S94 A96 L278 L450 Y455 | Y69-L276 HydrophobicContact CD1-CB 4.24Å; Y69-L276 HydrophobicContact CD1-CD1 4.05Å; Y69-L276 HydrophobicContact CD2-CD1 4.31Å; Y69-L276 HydrophobicContact CE1-CB 4.02Å; Y69-L276 HydrophobicContact CE1-CD1 3.69Å; Y69-L276 HydrophobicContact CE1-CG 4.43Å; Y69-L276 HydrophobicContact CE2-CD1 3.95Å; Y69-L276 HydrophobicContact CG-CD1 4.35Å; T93-L276 CarbonylContact C-O 3.16Å; T93-L276 WeakPolarHBondContact CA-O 3.19Å; T93-L276 WeakPolarHBondContact CB-O 3.5Å; S94-L276 PolarHBondContact N-O 3.36Å; S94-L276 PolarHBondContact O-N 2.78Å; A96-L276 HydrophobicContact CB-CB 4.44Å; L276-L278 HydrophobicContact CD2-CD2 3.88Å; L276-L278 HydrophobicContact CG-CD2 4.18Å; L276-L450 HydrophobicContact CD1-CD2 3.87Å; L276-L450 HydrophobicContact CD2-CD1 4.32Å; L276-L450 HydrophobicContact CD2-CD2 4.31Å; L276-Y455 HydrophobicContact CB-CE1 4.48Å; L276-Y455 HydrophobicContact CD2-CD1 3.73Å; L276-Y455 HydrophobicContact CD2-CD2 3.55Å; L276-Y455 HydrophobicContact CD2-CE1 4.07Å; L276-Y455 HydrophobicContact CD2-CE2 3.94Å; L276-Y455 HydrophobicContact CD2-CG 3.44Å; L276-Y455 VanDerWaalsContact CD2-CG 3.44Å |
| 277 | V | 95.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.4 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 109 | S68 L70 I91 T93 F281 F284 | S68-V277 PolarHBondContact O-N 3.06Å; L70-V277 HydrophobicContact CD1-CG2 4.14Å; L70-V277 HydrophobicContact CD2-CG2 4.45Å; L70-V277 HydrophobicContact CG-CG2 3.89Å; I91-V277 HydrophobicContact CG2-CG1 3.66Å; T93-V277 HydrophobicContact CG2-CG2 4.33Å; V277-F281 HydrophobicContact CB-CD2 4.18Å; V277-F281 HydrophobicContact CG2-CD2 3.8Å; V277-F281 HydrophobicContact CG2-CE2 3.98Å; V277-F284 HydrophobicContact CG2-CE2 4.28Å |
| 278 | L | 93.9 | Very high | 90.1 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -97.8 | -33.1 | -173.2 | -57.1 | -178.7 | 0 | 0 | 0 | 113.1 | A92 K262 L276 G280 Y455 | A92-L278 HydrophobicContact CB-CB 4.31Å; A92-L278 PolarHBondContact O-N 2.87Å; K262-L278 HydrophobicContact CB-CD1 3.89Å; K262-L278 HydrophobicContact CD-CD1 3.7Å; K262-L278 HydrophobicContact CG-CD1 3.47Å; K262-L278 VanDerWaalsContact CG-CD1 3.47Å; L276-L278 HydrophobicContact CD2-CD2 3.88Å; L276-L278 HydrophobicContact CG-CD2 4.18Å; L278-G280 PolarHBondContact O-N 3.38Å; L278-Y455 HydrophobicContact CD2-CD1 4.37Å |
| 279 | D | 89.7 | Confident | 91.1 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -86.3 | 11.3 | -177.8 | -57.9 | -31.2 | 0 | 0 | 0 | 113.3 | A92 K283 | A92-D279 WeakPolarHBondContact CB-OD2 3.39Å; A92-D279 PolarHBondContact N-OD2 3.37Å; D279-K283 HydrophobicContact CB-CG 4.26Å |
| 280 | G | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | 84.6 | 134.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L278 S282 K283 | L278-G280 PolarHBondContact O-N 3.38Å; G280-S282 PolarHBondContact O-N 3.47Å; G280-S282 VanDerWaalsContact O-N 3.14Å; G280-K283 WeakPolarHBondContact O-CB 3.43Å; G280-K283 WeakPolarHBondContact O-CG 3.34Å; G280-K283 PolarHBondContact O-N 3.13Å | ||
| 281 | F | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16 | 178.1 | -143.4 | -80.1 | 0 | 0 | 0 | 112.6 | I45 T47 D64 A67 Y69 L70 L82 V277 K283 F284 T564 | I45-F281 HydrophobicContact CD1-CD1 3.81Å; I45-F281 HydrophobicContact CD1-CE1 3.93Å; I45-F281 HydrophobicContact CG1-CD1 4.01Å; I45-F281 HydrophobicContact CG1-CE1 4.43Å; I45-F281 HydrophobicContact CG2-CB 3.94Å; I45-F281 HydrophobicContact CG2-CD1 3.77Å; I45-F281 HydrophobicContact CG2-CG 4.31Å; I45-F281 WeakPolarHBondContact CG2-O 3.33Å; T47-F281 PolarHBondContact OG1-N 2.88Å; D64-F281 VanDerWaalsContact CG-N 3.35Å; D64-F281 PolarHBondContact OD1-N 3.16Å; D64-F281 PolarHBondContact OD2-N 3.26Å; A67-F281 HydrophobicContact CB-CD1 3.99Å; A67-F281 HydrophobicContact CB-CD2 4.13Å; A67-F281 HydrophobicContact CB-CE1 4.12Å; A67-F281 HydrophobicContact CB-CE2 4.25Å; A67-F281 HydrophobicContact CB-CG 4.01Å; A67-F281 HydrophobicContact CB-CZ 4.25Å; A67-F281 WeakPolarHBondContact O-CB 3.18Å; A67-F281 WeakPolarHBondContact O-CG 3.36Å; Y69-F281 WeakPolarHBondContact O-CE2 3.46Å; L70-F281 HydrophobicContact CD2-CE2 4.06Å; L70-F281 HydrophobicContact CD2-CZ 4.12Å; L82-F281 HydrophobicContact CD1-CE1 4.25Å; L82-F281 HydrophobicContact CD1-CZ 4.12Å; V277-F281 HydrophobicContact CB-CD2 4.18Å; V277-F281 HydrophobicContact CG2-CD2 3.8Å; V277-F281 HydrophobicContact CG2-CE2 3.98Å; F281-K283 PolarHBondContact O-N 3.48Å; F281-F284 AromaticContact CD1-CD2 3.52Å; F281-F284 HydrophobicContact CD1-CD2 3.52Å; F281-F284 HydrophobicContact CD1-CE2 4Å; F281-F284 HydrophobicContact CD2-CD2 4.41Å; F281-F284 HydrophobicContact CD2-CE2 4.11Å; F281-F284 AromaticContact CE1-CD2 3.56Å; F281-F284 HydrophobicContact CE1-CD2 3.56Å; F281-F284 AromaticContact CE1-CE2 3.86Å; F281-F284 HydrophobicContact CE1-CE2 3.86Å; F281-F284 HydrophobicContact CE1-CG 4.47Å; F281-F284 HydrophobicContact CE2-CD2 4.45Å; F281-F284 AromaticContact CE2-CE2 3.97Å; F281-F284 HydrophobicContact CE2-CE2 3.97Å; F281-F284 AromaticContact CG-CD2 3.97Å; F281-F284 HydrophobicContact CG-CD2 3.97Å; F281-F284 HydrophobicContact CG-CE2 4.12Å; F281-F284 HydrophobicContact CZ-CD2 4.04Å; F281-F284 AromaticContact CZ-CE2 3.84Å; F281-F284 HydrophobicContact CZ-CE2 3.84Å; F281-F284 VanDerWaalsContact O-CD2 3.31Å; F281-F284 WeakPolarHBondContact O-CD2 3.19Å; F281-F284 PolarHBondContact O-N 3.48Å; F281-T564 HydrophobicContact CE1-CG2 3.97Å; F281-T564 HydrophobicContact CZ-CG2 4.23Å |
| 282 | S | 97 | Very high | 94.4 | Very high | 20 Ų | 20 | 29 Ų | 29 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -16.6 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 113.5 | T47 G280 F284 V285 E286 | T47-S282 WeakPolarHBondContact CB-OG 3.44Å; T47-S282 PolarHBondContact N-OG 3.49Å; T47-S282 VanDerWaalsContact OG1-CB 3.25Å; T47-S282 WeakPolarHBondContact OG1-CB 3.42Å; T47-S282 PolarHBondContact OG1-N 2.84Å; T47-S282 PolarHBondContact OG1-OG 3.34Å; G280-S282 PolarHBondContact O-N 3.47Å; G280-S282 VanDerWaalsContact O-N 3.14Å; S282-F284 PolarHBondContact O-N 3.03Å; S282-V285 CarbonylContact O-C 3.56Å; S282-V285 WeakPolarHBondContact O-CA 3.3Å; S282-V285 VanDerWaalsContact O-CB 3.31Å; S282-V285 WeakPolarHBondContact O-CB 3.33Å; S282-V285 PolarHBondContact O-N 3.3Å; S282-E286 WeakPolarHBondContact O-CG 3.49Å; S282-E286 PolarHBondContact O-N 3.49Å |
| 283 | K | 97.5 | Very high | 95.4 | Very high | 82 Ų | 82 | 31.4 Ų | 31.4 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57 | -35.1 | 172.2 | -69.3 | -73.8 | 159.5 | -147.3 | 0 | 113.1 | I91 D279 G280 F281 E286 F287 | I91-K283 HydrophobicContact CD1-CB 3.6Å; I91-K283 HydrophobicContact CG1-CB 3.99Å; D279-K283 HydrophobicContact CB-CG 4.26Å; G280-K283 WeakPolarHBondContact O-CB 3.43Å; G280-K283 WeakPolarHBondContact O-CG 3.34Å; G280-K283 PolarHBondContact O-N 3.13Å; F281-K283 PolarHBondContact O-N 3.48Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 2.68Å; K283-E286 IonicContact NZ-OE2 3.98Å; K283-E286 PolarHBondContact NZ-OE2 3.23Å; K283-F287 PolarHBondContact O-N 3.49Å; K283-F287 VanDerWaalsContact O-N 3.17Å |
| 284 | F | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 172.7 | -60.5 | -71.3 | 0 | 0 | 0 | 111.7 | L70 L85 A86 L89 I91 V277 F281 S282 L288 | L70-F284 HydrophobicContact CD2-CE2 4.34Å; L70-F284 HydrophobicContact CD2-CZ 4.03Å; L85-F284 HydrophobicContact CB-CD1 4.43Å; L85-F284 HydrophobicContact CB-CE1 4.21Å; L85-F284 HydrophobicContact CD2-CD1 3.71Å; L85-F284 HydrophobicContact CD2-CE1 4.31Å; L85-F284 HydrophobicContact CG-CD1 3.91Å; L85-F284 HydrophobicContact CG-CE1 4.12Å; A86-F284 HydrophobicContact CB-CE1 3.98Å; A86-F284 HydrophobicContact CB-CZ 3.8Å; L89-F284 HydrophobicContact CD1-CD1 4.38Å; I91-F284 HydrophobicContact CD1-CD1 3.96Å; I91-F284 HydrophobicContact CD1-CD2 4.45Å; I91-F284 HydrophobicContact CD1-CE1 3.66Å; I91-F284 HydrophobicContact CD1-CE2 4.17Å; I91-F284 HydrophobicContact CD1-CG 4.36Å; I91-F284 HydrophobicContact CD1-CZ 3.77Å; V277-F284 HydrophobicContact CG2-CE2 4.28Å; F281-F284 AromaticContact CD1-CD2 3.52Å; F281-F284 HydrophobicContact CD1-CD2 3.52Å; F281-F284 HydrophobicContact CD1-CE2 4Å; F281-F284 HydrophobicContact CD2-CD2 4.41Å; F281-F284 HydrophobicContact CD2-CE2 4.11Å; F281-F284 AromaticContact CE1-CD2 3.56Å; F281-F284 HydrophobicContact CE1-CD2 3.56Å; F281-F284 AromaticContact CE1-CE2 3.86Å; F281-F284 HydrophobicContact CE1-CE2 3.86Å; F281-F284 HydrophobicContact CE1-CG 4.47Å; F281-F284 HydrophobicContact CE2-CD2 4.45Å; F281-F284 AromaticContact CE2-CE2 3.97Å; F281-F284 HydrophobicContact CE2-CE2 3.97Å; F281-F284 AromaticContact CG-CD2 3.97Å; F281-F284 HydrophobicContact CG-CD2 3.97Å; F281-F284 HydrophobicContact CG-CE2 4.12Å; F281-F284 HydrophobicContact CZ-CD2 4.04Å; F281-F284 AromaticContact CZ-CE2 3.84Å; F281-F284 HydrophobicContact CZ-CE2 3.84Å; F281-F284 VanDerWaalsContact O-CD2 3.31Å; F281-F284 WeakPolarHBondContact O-CD2 3.19Å; F281-F284 PolarHBondContact O-N 3.48Å; S282-F284 PolarHBondContact O-N 3.03Å; F284-L288 WeakPolarHBondContact O-CB 3.45Å; F284-L288 WeakPolarHBondContact O-CG 3.24Å; F284-L288 PolarHBondContact O-N 3.25Å |
| 285 | V | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -46.5 | 179 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | L19 I45 S282 F287 L288 A289 | L19-V285 HydrophobicContact CD1-CB 4.46Å; L19-V285 HydrophobicContact CD1-CG1 3.7Å; I45-V285 HydrophobicContact CB-CG2 3.93Å; I45-V285 HydrophobicContact CD1-CG2 4.28Å; I45-V285 HydrophobicContact CG2-CG2 3.58Å; S282-V285 CarbonylContact O-C 3.56Å; S282-V285 WeakPolarHBondContact O-CA 3.3Å; S282-V285 VanDerWaalsContact O-CB 3.31Å; S282-V285 WeakPolarHBondContact O-CB 3.33Å; S282-V285 PolarHBondContact O-N 3.3Å; V285-F287 PolarHBondContact O-N 3.13Å; V285-L288 PolarHBondContact O-N 3.27Å; V285-A289 VanDerWaalsContact O-CB 3.22Å; V285-A289 WeakPolarHBondContact O-CB 3.25Å; V285-A289 PolarHBondContact O-N 3.36Å |
| 286 | E | 98.2 | Very high | 96.8 | Very high | 103 Ų | 103 | 37.5 Ų | 37.5 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.4 | -50 | 175.9 | -70.7 | 167.2 | -160 | 0 | 0 | 111.3 | S282 K283 L288 A289 S290 | S282-E286 WeakPolarHBondContact O-CG 3.49Å; S282-E286 PolarHBondContact O-N 3.49Å; K283-E286 WeakPolarHBondContact CD-OE2 3.38Å; K283-E286 IonicContact NZ-OE1 2.68Å; K283-E286 IonicContact NZ-OE2 3.98Å; K283-E286 PolarHBondContact NZ-OE2 3.23Å; E286-L288 PolarHBondContact O-N 3.18Å; E286-A289 PolarHBondContact O-N 3.38Å; E286-S290 WeakPolarHBondContact O-CB 3.26Å; E286-S290 PolarHBondContact O-N 3.05Å |
| 287 | F | 98.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 176.7 | 169.1 | -102.5 | 0 | 0 | 0 | 112.5 | K23 L85 L89 K283 V285 L598 T599 | K23-F287 HydrophobicContact CD-CE1 4.08Å; K23-F287 HydrophobicContact CD-CZ 4.33Å; K23-F287 PolarHBondContact NZ-O 3.25Å; L85-F287 HydrophobicContact CD1-CD1 3.95Å; L85-F287 HydrophobicContact CD1-CE1 3.67Å; L85-F287 HydrophobicContact CD1-CZ 4.25Å; L85-F287 HydrophobicContact CD2-CD1 4.23Å; L85-F287 HydrophobicContact CD2-CE1 4.4Å; L89-F287 HydrophobicContact CD1-CB 3.67Å; L89-F287 HydrophobicContact CD1-CD1 4.11Å; L89-F287 HydrophobicContact CD1-CD2 4.37Å; L89-F287 HydrophobicContact CD1-CG 3.78Å; L89-F287 HydrophobicContact CD2-CB 4.27Å; L89-F287 HydrophobicContact CD2-CD1 4.48Å; L89-F287 HydrophobicContact CD2-CD2 3.53Å; L89-F287 HydrophobicContact CD2-CE2 3.93Å; L89-F287 HydrophobicContact CD2-CG 3.83Å; L89-F287 HydrophobicContact CG-CG 4.43Å; K283-F287 PolarHBondContact O-N 3.49Å; K283-F287 VanDerWaalsContact O-N 3.17Å; V285-F287 PolarHBondContact O-N 3.13Å; F287-L598 HydrophobicContact CE1-CB 4.41Å; F287-L598 HydrophobicContact CZ-CB 4.27Å; F287-L598 WeakPolarHBondContact CZ-O 3.27Å; F287-T599 HydrophobicContact CE1-CG2 4.35Å; F287-T599 HydrophobicContact CE2-CG2 4.24Å; F287-T599 HydrophobicContact CZ-CG2 3.7Å |
| 288 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.6 | -35.5 | -177 | -67 | 172.6 | 0 | 0 | 0 | 112.9 | I16 L19 K23 F284 V285 E286 V292 F568 | I16-L288 HydrophobicContact CG1-CD1 3.81Å; L19-L288 HydrophobicContact CB-CB 3.69Å; L19-L288 HydrophobicContact CB-CD1 4.46Å; L19-L288 HydrophobicContact CD1-CB 4.44Å; K23-L288 HydrophobicContact CD-CD2 3.86Å; F284-L288 WeakPolarHBondContact O-CB 3.45Å; F284-L288 WeakPolarHBondContact O-CG 3.24Å; F284-L288 PolarHBondContact O-N 3.25Å; V285-L288 PolarHBondContact O-N 3.27Å; E286-L288 PolarHBondContact O-N 3.18Å; L288-V292 WeakPolarHBondContact O-CG2 3.33Å; L288-F568 HydrophobicContact CD1-CD2 4.12Å; L288-F568 HydrophobicContact CD1-CE2 4.17Å; L288-F568 HydrophobicContact CD2-CE2 4.04Å |
| 289 | A | 98.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.4 | -23.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L19 V285 E286 G291 V292 I294 | L19-A289 HydrophobicContact CD1-CB 4.33Å; L19-A289 HydrophobicContact CD2-CB 4.08Å; V285-A289 VanDerWaalsContact O-CB 3.22Å; V285-A289 WeakPolarHBondContact O-CB 3.25Å; V285-A289 PolarHBondContact O-N 3.36Å; E286-A289 PolarHBondContact O-N 3.38Å; A289-G291 PolarHBondContact O-N 3.01Å; A289-G291 VanDerWaalsContact O-N 3.15Å; A289-V292 WeakPolarHBondContact O-CB 3.41Å; A289-V292 PolarHBondContact O-N 2.69Å; A289-I294 HydrophobicContact CB-CD1 3.74Å |
| 290 | S | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 56% | 0.559 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 119.8 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | K23 E286 V292 | K23-S290 PolarHBondContact NZ-O 2.84Å; E286-S290 WeakPolarHBondContact O-CB 3.26Å; E286-S290 PolarHBondContact O-N 3.05Å; S290-V292 VanDerWaalsContact C-N 3.32Å |
| 291 | G | 96.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 39.5 Ų | 39.5 | 72% | 0.722 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 4.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | A289 | A289-G291 PolarHBondContact O-N 3.01Å; A289-G291 VanDerWaalsContact O-N 3.15Å |
| 292 | V | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | trans | -95.2 | 137.7 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | A22 K23 V34 L288 A289 S290 I294 | A22-V292 HydrophobicContact CB-CG1 3.55Å; A22-V292 HydrophobicContact CB-CG2 4.11Å; K23-V292 HydrophobicContact CB-CG2 4.32Å; V34-V292 HydrophobicContact CG2-CG1 3.57Å; L288-V292 WeakPolarHBondContact O-CG2 3.33Å; A289-V292 WeakPolarHBondContact O-CB 3.41Å; A289-V292 PolarHBondContact O-N 2.69Å; S290-V292 VanDerWaalsContact C-N 3.32Å; V292-I294 HydrophobicContact CB-CD1 4.45Å; V292-I294 HydrophobicContact CB-CG1 4.22Å; V292-I294 HydrophobicContact CG1-CD1 4.36Å; V292-I294 HydrophobicContact CG1-CG1 3.79Å; V292-I294 PolarHBondContact O-N 2.81Å | ||
| 293 | D | 98.5 | Very high | 96.7 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 111.9 | 172.1 | -171.3 | 9.4 | 0 | 0 | 0 | 110.4 | V34 H295 | V34-D293 PolarHBondContact N-O 3.48Å; D293-H295 IonicContact OD1-CD2 3.37Å; D293-H295 PolarHBondContact OD1-CD2 2.98Å; D293-H295 IonicContact OD1-NE2 2.76Å; D293-H295 PolarHBondContact OD1-NE2 3.46Å; D293-H295 IonicContact OD2-NE2 2.75Å |
| 294 | I | 98.5 | Very high | 96.5 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118.6 | -175.2 | -50.9 | 175 | 0 | 0 | 0 | 109.6 | A14 L19 V34 E36 A289 V292 Y296 | A14-I294 HydrophobicContact CB-CG2 4.21Å; L19-I294 HydrophobicContact CD2-CD1 3.67Å; V34-I294 HydrophobicContact CB-CB 4.47Å; V34-I294 HydrophobicContact CB-CG1 4.14Å; V34-I294 HydrophobicContact CB-CG2 4.28Å; V34-I294 HydrophobicContact CG1-CG2 4.46Å; V34-I294 HydrophobicContact CG2-CG1 4.41Å; V34-I294 CarbonylContact O-C 3.54Å; V34-I294 WeakPolarHBondContact O-CA 3.12Å; E36-I294 HydrophobicContact CB-CG2 4.16Å; A289-I294 HydrophobicContact CB-CD1 3.74Å; V292-I294 HydrophobicContact CB-CD1 4.45Å; V292-I294 HydrophobicContact CB-CG1 4.22Å; V292-I294 HydrophobicContact CG1-CD1 4.36Å; V292-I294 HydrophobicContact CG1-CG1 3.79Å; V292-I294 PolarHBondContact O-N 2.81Å; I294-Y296 HydrophobicContact CB-CE2 4.12Å; I294-Y296 HydrophobicContact CG2-CD1 4.15Å; I294-Y296 HydrophobicContact CG2-CD2 4.38Å; I294-Y296 HydrophobicContact CG2-CE1 3.69Å; I294-Y296 HydrophobicContact CG2-CE2 3.96Å; I294-Y296 HydrophobicContact CG2-CG 4.47Å |
| 295 | H | 97.2 | Very high | 96.2 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 22% | 0.218 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 106.5 | 174.9 | -64.6 | -173.6 | 0 | 0 | 0 | 109.8 | V34 L35 E36 D293 Y369 | V34-H295 PolarHBondContact O-N 3.44Å; L35-H295 HydrophobicContact CD2-CB 3.96Å; E36-H295 PolarHBondContact N-O 3.2Å; D293-H295 IonicContact OD1-CD2 3.37Å; D293-H295 PolarHBondContact OD1-CD2 2.98Å; D293-H295 IonicContact OD1-NE2 2.76Å; D293-H295 PolarHBondContact OD1-NE2 3.46Å; D293-H295 IonicContact OD2-NE2 2.75Å; H295-Y369 AromaticContact CE1-CE1 3.78Å; H295-Y369 AromaticContact ND1-CE1 3.37Å; H295-Y369 WeakPolarHBondContact ND1-CE1 3.34Å; H295-Y369 AromaticContact ND1-CZ 3.45Å; H295-Y369 PolarHBondContact ND1-OH 2.82Å |
| 296 | Y | 95.5 | Very high | 95.6 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 35% | 0.353 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 163.5 | -179.7 | -65.9 | -72.6 | 0 | 0 | 0 | 112.9 | E36 S41 I294 C298 | E36-Y296 HydrophobicContact CB-CD1 3.92Å; E36-Y296 HydrophobicContact CB-CE1 4.25Å; E36-Y296 HydrophobicContact CG-CD1 3.83Å; E36-Y296 HydrophobicContact CG-CE1 4.09Å; E36-Y296 CarbonylContact O-C 3.42Å; E36-Y296 VanDerWaalsContact O-C 3.3Å; E36-Y296 WeakPolarHBondContact O-CA 3.5Å; S41-Y296 WeakPolarHBondContact OG-CE1 3.27Å; S41-Y296 PolarHBondContact OG-OH 2.86Å; I294-Y296 HydrophobicContact CB-CE2 4.12Å; I294-Y296 HydrophobicContact CG2-CD1 4.15Å; I294-Y296 HydrophobicContact CG2-CD2 4.38Å; I294-Y296 HydrophobicContact CG2-CE1 3.69Å; I294-Y296 HydrophobicContact CG2-CE2 3.96Å; I294-Y296 HydrophobicContact CG2-CG 4.47Å; Y296-C298 PolarHBondContact O-N 3.21Å; Y296-C298 PolarHBondContact O-SG 2.85Å; Y296-C298 VanDerWaalsContact O-SG 3.35Å |
| 297 | R | 93.8 | Very high | 94.8 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 26.2 | -179.2 | -60.2 | 176.3 | 179.3 | -121.1 | 6.4 | 113 | E36 A37 R38 Q351 Y352 S353 | E36-R297 PolarHBondContact O-N 3.13Å; A37-R297 WeakPolarHBondContact O-CA 3.3Å; R38-R297 PolarHBondContact O-N 2.87Å; R297-Q351 CarbonylContact O-C 3.56Å; R297-Q351 WeakPolarHBondContact O-CA 3.32Å; R297-Y352 WeakPolarHBondContact CB-O 3.17Å; R297-Y352 WeakPolarHBondContact CD-O 3.3Å; R297-Y352 PolarHBondContact O-N 2.96Å; R297-S353 PolarHBondContact NH1-O 3.02Å; R297-S353 VanDerWaalsContact NH1-O 3.07Å |
| 298 | C | 93.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 101.3 | -176.7 | -75.5 | 0 | 0 | 0 | 0 | 109.6 | L35 E36 A37 Y296 V349 | L35-C298 HydrophobicContact CB-CB 4.37Å; L35-C298 HydrophobicContact CD2-CB 4.31Å; E36-C298 CarbonylContact C-O 3.58Å; E36-C298 PolarHBondContact O-N 2.94Å; A37-C298 WeakPolarHBondContact CA-O 3.43Å; A37-C298 PolarHBondContact N-O 3.47Å; Y296-C298 PolarHBondContact O-N 3.21Å; Y296-C298 PolarHBondContact O-SG 2.85Å; Y296-C298 VanDerWaalsContact O-SG 3.35Å; C298-V349 HydrophobicContact CB-CG1 3.5Å |
| 299 | V | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109.2 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | A37 R301 V349 A350 Y352 F515 | A37-V299 HydrophobicContact CB-CG2 4Å; V299-R301 WeakPolarHBondContact O-CG 3.33Å; V299-R301 PolarHBondContact O-N 3.34Å; V299-V349 WeakPolarHBondContact O-CA 3.23Å; V299-A350 PolarHBondContact N-O 2.85Å; V299-A350 PolarHBondContact O-N 3.23Å; V299-Y352 HydrophobicContact CG2-CG 4.44Å; V299-F515 HydrophobicContact CG1-CE1 4.17Å; V299-F515 HydrophobicContact CG2-CE1 4.01Å; V299-F515 HydrophobicContact CG2-CZ 4.19Å |
| 300 | A | 96 | Very high | 90.3 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 132.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | L12 V347 I392 | L12-A300 HydrophobicContact CD1-CB 4.06Å; L12-A300 HydrophobicContact CD2-CB 4.18Å; A300-V347 HydrophobicContact CB-CG1 3.76Å; A300-I392 HydrophobicContact CB-CD1 4.32Å |
| 301 | R | 93.1 | Very high | 88.2 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -45.8 | -176.1 | -62 | -54.2 | -59.9 | -179.3 | -2.6 | 112.5 | V299 D348 A350 F361 R388 R389 A391 H393 | V299-R301 WeakPolarHBondContact O-CG 3.33Å; V299-R301 PolarHBondContact O-N 3.34Å; R301-D348 PolarHBondContact N-O 3.09Å; R301-A350 HydrophobicContact CG-CB 3.83Å; R301-F361 HydrophobicContact CG-CE2 4.19Å; R301-R388 VanDerWaalsContact CZ-O 3.32Å; R301-R388 PolarHBondContact NH1-O 2.84Å; R301-R388 PolarHBondContact NH2-O 2.85Å; R301-R389 PolarHBondContact NH1-O 2.89Å; R301-A391 VanDerWaalsContact CZ-O 3.27Å; R301-A391 PolarHBondContact NH1-O 2.94Å; R301-H393 PolarHBondContact O-N 3.34Å |
| 302 | H | 93.8 | Very high | 86 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.7 | 179.1 | -61.1 | -105.5 | 0 | 0 | 0 | 109.3 | Y304 V347 D348 H393 H395 | H302-Y304 HydrophobicContact CB-CD2 4.26Å; H302-Y304 HydrophobicContact CB-CE2 3.48Å; H302-Y304 VanDerWaalsContact CB-CE2 3.48Å; H302-V347 CarbonylContact O-C 3.6Å; H302-V347 VanDerWaalsContact O-CA 3.31Å; H302-V347 WeakPolarHBondContact O-CA 3.33Å; H302-D348 HydrophobicContact CB-CB 4.07Å; H302-D348 PolarHBondContact O-N 3.45Å; H302-H393 CarbonylContact C-O 3.58Å; H302-H393 VanDerWaalsContact CA-O 3.31Å; H302-H393 WeakPolarHBondContact CA-O 3.39Å; H302-H395 AromaticContact ND1-CD2 3.9Å; H302-H395 AromaticContact ND1-NE2 3.16Å; H302-H395 PolarHBondContact ND1-NE2 2.52Å; H302-H395 VanDerWaalsContact ND1-NE2 3.16Å |
| 303 | V | 95.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 107.1 | 174.2 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | L12 V345 C346 V347 I392 H393 F394 H395 L547 | L12-V303 HydrophobicContact CD1-CG2 4.13Å; V303-V345 HydrophobicContact CG1-CG1 3.95Å; V303-C346 CarbonylContact C-O 3.6Å; V303-C346 WeakPolarHBondContact CA-O 3.2Å; V303-V347 HydrophobicContact CG1-CG2 4.36Å; V303-V347 HydrophobicContact CG2-CG1 4.43Å; V303-V347 HydrophobicContact CG2-CG2 4.14Å; V303-I392 HydrophobicContact CG2-CG2 3.66Å; V303-H393 PolarHBondContact N-O 3.4Å; V303-F394 HydrophobicContact CB-CD1 3.78Å; V303-F394 HydrophobicContact CB-CE1 3.96Å; V303-F394 HydrophobicContact CG1-CD1 3.99Å; V303-F394 HydrophobicContact CG1-CE1 4.09Å; V303-F394 HydrophobicContact CG2-CD1 4.35Å; V303-F394 HydrophobicContact CG2-CE1 4.06Å; V303-F394 CarbonylContact O-C 3.5Å; V303-F394 WeakPolarHBondContact O-CA 3.48Å; V303-H395 PolarHBondContact O-N 2.82Å; V303-L547 HydrophobicContact CG1-CD1 4.48Å; V303-L547 HydrophobicContact CG1-CD2 4.11Å |
| 304 | Y | 92 | Very high | 81.2 | Confident | 91 Ų | 91 | 69 Ų | 69 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.2 | 173.9 | -55 | -91.4 | 0 | 0 | 0 | 108.7 | H302 V345 C346 H395 | H302-Y304 HydrophobicContact CB-CD2 4.26Å; H302-Y304 HydrophobicContact CB-CE2 3.48Å; H302-Y304 VanDerWaalsContact CB-CE2 3.48Å; Y304-V345 CarbonylContact O-C 3.54Å; Y304-V345 WeakPolarHBondContact O-CA 3.37Å; Y304-C346 HydrophobicContact CD2-CB 4.39Å; Y304-C346 PolarHBondContact N-O 3.39Å; Y304-C346 PolarHBondContact O-N 2.91Å; Y304-H395 CarbonylContact C-O 3.46Å; Y304-H395 WeakPolarHBondContact CA-O 3.13Å; Y304-H395 HydrophobicContact CD1-CB 3.54Å; Y304-H395 AromaticContact CD1-CG 3.9Å; Y304-H395 HydrophobicContact CE1-CB 3.94Å; Y304-H395 AromaticContact CE1-CD2 3.83Å; Y304-H395 AromaticContact CE1-CG 3.77Å; Y304-H395 HydrophobicContact CG-CB 4.3Å |
| 305 | W | 92 | Very high | 78.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | trans | -151.7 | 162.8 | -176.2 | 67.8 | -68.9 | 0 | 0 | 0 | 110.1 | N307 V345 H395 P396 L539 P540 L547 | W305-N307 HydrophobicContact CH2-CB 4.04Å; W305-N307 HydrophobicContact CZ3-CB 4.09Å; W305-V345 HydrophobicContact CB-CG1 4.48Å; W305-V345 HydrophobicContact CB-CG2 4.3Å; W305-H395 PolarHBondContact N-O 3.24Å; W305-P396 HydrophobicContact CZ2-CG 4.05Å; W305-P396 PolarHBondContact NE1-O 2.82Å; W305-P396 WeakPolarHBondContact O-CD 3.45Å; W305-L539 HydrophobicContact CE3-CB 4.47Å; W305-L539 HydrophobicContact CH2-CB 3.87Å; W305-L539 HydrophobicContact CH2-CD1 3.95Å; W305-L539 HydrophobicContact CH2-CG 4.43Å; W305-L539 HydrophobicContact CZ2-CD1 4.14Å; W305-L539 HydrophobicContact CZ3-CB 3.72Å; W305-P540 HydrophobicContact CZ3-CB 4.28Å; W305-L547 HydrophobicContact CB-CD1 4.21Å; W305-L547 HydrophobicContact CB-CD2 4.18Å; W305-L547 HydrophobicContact CB-CG 4.22Å; W305-L547 HydrophobicContact CD2-CD1 3.51Å; W305-L547 HydrophobicContact CD2-CG 4.01Å; W305-L547 HydrophobicContact CE3-CD1 4.02Å; W305-L547 HydrophobicContact CE3-CG 4.12Å; W305-L547 HydrophobicContact CG-CD1 3.56Å; W305-L547 HydrophobicContact CG-CD2 4.43Å; W305-L547 HydrophobicContact CG-CG 4.05Å | ||
| 306 | S | 85.5 | Confident | 76.8 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 15% | 0.147 | 36% | 0.363 | C | S | . | . | trans | -101.5 | 134.4 | 179.3 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | H308 N343 | S306-H308 VanDerWaalsContact C-N 3.35Å; S306-H308 PolarHBondContact OG-CD2 2.83Å; S306-H308 VanDerWaalsContact OG-CD2 3.23Å; S306-H308 PolarHBondContact OG-N 3.41Å; S306-N343 WeakPolarHBondContact CB-OD1 3.25Å; S306-N343 PolarHBondContact OG-OD1 3.36Å | ||
| 307 | N | 81.2 | Confident | 75 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | trans | -94.6 | 10.5 | 175.4 | -167.2 | 39.3 | 0 | 0 | 0 | 112.7 | W305 T309 P396 P540 | W305-N307 HydrophobicContact CH2-CB 4.04Å; W305-N307 HydrophobicContact CZ3-CB 4.09Å; N307-T309 PolarHBondContact O-N 2.83Å; N307-P396 HydrophobicContact CB-CG 4.15Å; N307-P540 WeakPolarHBondContact OD1-CB 3.4Å | ||
| 308 | H | 75.4 | Confident | 73.6 | Confident | 137 Ų | 137 | 75.2 Ų | 75.2 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | trans | -70.1 | 127.7 | 178.2 | -69.2 | -73.2 | 0 | 0 | 0 | 110.6 | S306 | S306-H308 VanDerWaalsContact C-N 3.35Å; S306-H308 PolarHBondContact OG-CD2 2.83Å; S306-H308 VanDerWaalsContact OG-CD2 3.23Å; S306-H308 PolarHBondContact OG-N 3.41Å | ||
| 309 | T | 67.5 | Low | 72.5 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | trans | -92.2 | -14.2 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | N307 F311 P540 | N307-T309 PolarHBondContact O-N 2.83Å; T309-F311 PolarHBondContact O-N 2.89Å; T309-P540 HydrophobicContact CG2-CB 4.09Å; T309-P540 HydrophobicContact CG2-CG 4.46Å | ||
| 310 | D | 59.2 | Low | 71.5 | Confident | 130 Ų | 130 | 79.5 Ų | 79.5 | 70% | 0.695 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -74.3 | 125.5 | -175.5 | -65.3 | -28.4 | 0 | 0 | 0 | 109.9 | D312 | D310-D312 PolarHBondContact O-N 3.25Š|
| 311 | F | 54 | Low | 70.3 | Confident | 144 Ų | 144 | 83.5 Ų | 83.5 | 63% | 0.632 | 41% | 0.412 | S | S | * | . | trans | -67.3 | 83.5 | 165.7 | -101 | -92.2 | 0 | 0 | 0 | 107.1 | T309 K313 C544 | T309-F311 PolarHBondContact O-N 2.89Å; F311-K313 PolarHBondContact O-N 3.23Å; F311-C544 HydrophobicContact CE2-CB 4.21Å | ||
| 312 | D | 49.5 | Very low | 69.2 | Low | 125 Ų | 125 | 86.6 Ų | 86.6 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | trans | -66.6 | 124.3 | 157.3 | -129.3 | -14.1 | 0 | 0 | 0 | 105.8 | D310 S314 D315 | D310-D312 PolarHBondContact O-N 3.25Å; D312-S314 PolarHBondContact O-N 3.12Å; D312-D315 PolarHBondContact O-N 2.9Å | ||
| 313 | K | 48.6 | Very low | 68.3 | Low | 176 Ų | 176 | 85.2 Ų | 85.2 | 77% | 0.765 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -57.4 | -6.4 | -176.4 | -72 | -179.4 | 176 | 178.4 | 0 | 113.1 | F311 D315 E316 | F311-K313 PolarHBondContact O-N 3.23Å; K313-D315 VanDerWaalsContact C-N 3.25Å; K313-D315 PolarHBondContact O-N 3.15Å; K313-E316 PolarHBondContact O-N 3.18Å |
| 314 | S | 48.5 | Very low | 67.2 | Low | 81 Ų | 81 | 88.4 Ų | 88.4 | 57% | 0.566 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -65.1 | -17.7 | 176.4 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | D312 E316 | D312-S314 PolarHBondContact O-N 3.12Å; S314-E316 PolarHBondContact O-N 3.41Å |
| 315 | D | 50.6 | Low | 66.3 | Low | 29 Ų | 29 | 88.6 Ų | 88.6 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -73.3 | -11.6 | 176.6 | -96.8 | 3 | 0 | 0 | 0 | 113 | D312 K313 E317 K546 | D312-D315 PolarHBondContact O-N 2.9Å; K313-D315 VanDerWaalsContact C-N 3.25Å; K313-D315 PolarHBondContact O-N 3.15Å; D315-E317 VanDerWaalsContact C-N 3.31Å; D315-E317 PolarHBondContact O-N 3.34Å; D315-K546 IonicContact OD1-NZ 3.89Å; D315-K546 IonicContact OD2-NZ 3.72Å; D315-K546 PolarHBondContact OD2-NZ 2.88Å |
| 316 | E | 51.8 | Low | 65.4 | Low | 161 Ų | 161 | 91.2 Ų | 91.2 | 75% | 0.752 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -68.2 | -17.3 | -171.1 | -81.1 | -167.4 | 159 | 0 | 0 | 115.3 | K313 S314 | K313-E316 PolarHBondContact O-N 3.18Å; S314-E316 PolarHBondContact O-N 3.41Å |
| 317 | E | 58.2 | Low | 64.7 | Low | 182 Ų | 182 | 91.1 Ų | 91.1 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -144.3 | 42.9 | 178.5 | -71.2 | -170.3 | 158.6 | 0 | 0 | 114.3 | D315 N319 | D315-E317 VanDerWaalsContact C-N 3.31Å; D315-E317 PolarHBondContact O-N 3.34Å; E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.32Å |
| 318 | I | 64.2 | Low | 64.2 | Low | 22 Ų | 22 | 91.6 Ų | 91.6 | 11% | 0.113 | 48% | 0.479 | C | S | . | . | trans | -69.2 | 89 | 167.9 | -59 | -177.2 | 0 | 0 | 0 | 109 | I320 I323 S342 L344 R372 | I318-I320 HydrophobicContact CG2-CG1 4.12Å; I318-I320 PolarHBondContact O-N 3.48Å; I318-I323 HydrophobicContact CG2-CD1 3.42Å; I318-I323 VanDerWaalsContact CG2-CD1 3.42Å; I318-S342 VanDerWaalsContact CD1-O 3.3Å; I318-S342 WeakPolarHBondContact CD1-O 3.32Å; I318-L344 HydrophobicContact CD1-CD2 4.44Å; I318-L344 HydrophobicContact CG2-CD2 4.33Å; I318-R372 HydrophobicContact CG2-CG 4.45Å | ||
| 319 | N | 71 | Confident | 64.2 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | trans | -78.8 | 94.9 | 171.4 | -174.3 | -24.1 | 0 | 0 | 0 | 109.3 | E317 Q321 L322 I323 | E317-N319 VanDerWaalsContact C-N 3.26Å; E317-N319 PolarHBondContact O-N 3.32Å; N319-Q321 PolarHBondContact O-N 2.9Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.45Å; N319-Q321 PolarHBondContact OD1-N 3.08Å; N319-Q321 VanDerWaalsContact OD1-N 3.16Å; N319-L322 HydrophobicContact CB-CB 3.92Å; N319-L322 WeakPolarHBondContact O-CB 3.48Å; N319-L322 PolarHBondContact O-N 3.14Å; N319-L322 VanDerWaalsContact O-N 3.15Å; N319-L322 PolarHBondContact OD1-N 3.22Å; N319-L322 VanDerWaalsContact OD1-N 3.08Å; N319-I323 WeakPolarHBondContact O-CG1 3.12Å; N319-I323 PolarHBondContact O-N 2.84Å | ||
| 320 | I | 74.4 | Confident | 64.3 | Low | 6 Ų | 6 | 88.2 Ų | 88.2 | 3% | 0.031 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.9 | -33.9 | -177.6 | -63.1 | -171.5 | 0 | 0 | 0 | 112.4 | F6 C7 D8 I318 I323 H324 R372 | F6-I320 HydrophobicContact CB-CG2 3.73Å; C7-I320 WeakPolarHBondContact O-CD1 3.4Å; D8-I320 VanDerWaalsContact CA-CD1 3.44Å; D8-I320 HydrophobicContact CB-CD1 4.35Å; D8-I320 WeakPolarHBondContact OD1-CD1 3.43Å; I318-I320 HydrophobicContact CG2-CG1 4.12Å; I318-I320 PolarHBondContact O-N 3.48Å; I320-I323 PolarHBondContact O-N 3.49Å; I320-H324 WeakPolarHBondContact O-CB 3.39Å; I320-H324 PolarHBondContact O-N 2.9Å; I320-R372 HydrophobicContact CD1-CG 3.73Å; I320-R372 HydrophobicContact CG1-CG 4.37Å |
| 321 | Q | 70.4 | Confident | 64.9 | Low | 93 Ų | 93 | 85 Ų | 85 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 177.1 | -172 | 56.6 | 46.5 | 0 | 0 | 110.4 | N319 I323 H324 D325 | N319-Q321 PolarHBondContact O-N 2.9Å; N319-Q321 WeakPolarHBondContact OD1-CB 3.45Å; N319-Q321 PolarHBondContact OD1-N 3.08Å; N319-Q321 VanDerWaalsContact OD1-N 3.16Å; Q321-I323 VanDerWaalsContact C-N 3.31Å; Q321-I323 PolarHBondContact O-N 2.89Å; Q321-H324 PolarHBondContact O-N 3.38Å; Q321-D325 PolarHBondContact NE2-OD1 3.33Å; Q321-D325 PolarHBondContact NE2-OD2 3.08Å; Q321-D325 VanDerWaalsContact NE2-OD2 3.16Å; Q321-D325 PolarHBondContact O-N 3.08Å |
| 322 | L | 70.1 | Confident | 65.6 | Low | 97 Ų | 97 | 82.2 Ų | 82.2 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.2 | -176.3 | 64.8 | 0 | 0 | 0 | 112.1 | N319 N326 | N319-L322 HydrophobicContact CB-CB 3.92Å; N319-L322 WeakPolarHBondContact O-CB 3.48Å; N319-L322 PolarHBondContact O-N 3.14Å; N319-L322 VanDerWaalsContact O-N 3.15Å; N319-L322 PolarHBondContact OD1-N 3.22Å; N319-L322 VanDerWaalsContact OD1-N 3.08Å; L322-N326 WeakPolarHBondContact O-CB 3.5Å; L322-N326 VanDerWaalsContact O-CG 3.24Å; L322-N326 PolarHBondContact O-N 3.02Å; L322-N326 PolarHBondContact O-ND2 3.16Å |
| 323 | I | 74.7 | Confident | 66.7 | Low | 15 Ų | 15 | 83.4 Ų | 83.4 | 8% | 0.077 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 176.5 | -66.8 | 159.4 | 0 | 0 | 0 | 110.6 | F6 I318 N319 I320 Q321 D325 N326 A327 W330 F338 | F6-I323 HydrophobicContact CD1-CG2 3.81Å; F6-I323 HydrophobicContact CE1-CG2 3.64Å; F6-I323 HydrophobicContact CG-CG2 4.35Å; F6-I323 HydrophobicContact CZ-CG2 4.01Å; I318-I323 HydrophobicContact CG2-CD1 3.42Å; I318-I323 VanDerWaalsContact CG2-CD1 3.42Å; N319-I323 WeakPolarHBondContact O-CG1 3.12Å; N319-I323 PolarHBondContact O-N 2.84Å; I320-I323 PolarHBondContact O-N 3.49Å; Q321-I323 VanDerWaalsContact C-N 3.31Å; Q321-I323 PolarHBondContact O-N 2.89Å; I323-D325 VanDerWaalsContact C-N 3.32Å; I323-D325 PolarHBondContact O-N 3.38Å; I323-N326 PolarHBondContact O-N 3.47Å; I323-A327 WeakPolarHBondContact O-CB 3.2Å; I323-A327 PolarHBondContact O-N 2.65Å; I323-W330 HydrophobicContact CG2-CH2 4.06Å; I323-W330 HydrophobicContact CG2-CZ3 4.27Å; I323-F338 HydrophobicContact CD1-CE1 3.92Å; I323-F338 HydrophobicContact CD1-CZ 3.48Å; I323-F338 VanDerWaalsContact CD1-CZ 3.48Å; I323-F338 HydrophobicContact CG1-CE1 4.16Å; I323-F338 HydrophobicContact CG1-CZ 3.72Å; I323-F338 HydrophobicContact CG2-CE1 3.75Å; I323-F338 HydrophobicContact CG2-CZ 4.18Å |
| 324 | H | 72.5 | Confident | 67.9 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 31% | 0.31 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 179.1 | -178.2 | -84 | 0 | 0 | 0 | 111.5 | F6 I320 Q321 N326 A327 | F6-H324 HydrophobicContact CB-CB 4.21Å; I320-H324 WeakPolarHBondContact O-CB 3.39Å; I320-H324 PolarHBondContact O-N 2.9Å; Q321-H324 PolarHBondContact O-N 3.38Å; H324-N326 VanDerWaalsContact C-N 3.34Å; H324-N326 PolarHBondContact O-N 2.73Å; H324-A327 PolarHBondContact O-N 2.88Å |
| 325 | D | 73.5 | Confident | 68.8 | Low | 95 Ų | 95 | 75.4 Ų | 75.4 | 51% | 0.508 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | -178.2 | -62.6 | -20.4 | 0 | 0 | 0 | 111.7 | Q321 I323 | Q321-D325 PolarHBondContact NE2-OD1 3.33Å; Q321-D325 PolarHBondContact NE2-OD2 3.08Å; Q321-D325 VanDerWaalsContact NE2-OD2 3.16Å; Q321-D325 PolarHBondContact O-N 3.08Å; I323-D325 VanDerWaalsContact C-N 3.32Å; I323-D325 PolarHBondContact O-N 3.38Å |
| 326 | N | 72 | Confident | 69.8 | Low | 70 Ų | 70 | 77.6 Ų | 77.6 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.8 | -32.5 | 176.9 | -71.2 | -34.8 | 0 | 0 | 0 | 113.5 | L322 I323 H324 A328 S329 W330 | L322-N326 WeakPolarHBondContact O-CB 3.5Å; L322-N326 VanDerWaalsContact O-CG 3.24Å; L322-N326 PolarHBondContact O-N 3.02Å; L322-N326 PolarHBondContact O-ND2 3.16Å; I323-N326 PolarHBondContact O-N 3.47Å; H324-N326 VanDerWaalsContact C-N 3.34Å; H324-N326 PolarHBondContact O-N 2.73Å; N326-A328 PolarHBondContact O-N 3.04Å; N326-A328 VanDerWaalsContact O-N 3.14Å; N326-S329 PolarHBondContact O-N 3.3Å; N326-S329 PolarHBondContact O-OG 2.85Å; N326-W330 HydrophobicContact CB-CZ2 4.06Å; N326-W330 VanDerWaalsContact O-CD1 3.28Å; N326-W330 PolarHBondContact O-NE1 3.18Å |
| 327 | A | 71.6 | Confident | 70.7 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 17% | 0.165 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -25.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | F6 I323 H324 S329 W330 L335 | F6-A327 HydrophobicContact CE2-CB 3.81Å; F6-A327 HydrophobicContact CZ-CB 4.33Å; I323-A327 WeakPolarHBondContact O-CB 3.2Å; I323-A327 PolarHBondContact O-N 2.65Å; H324-A327 PolarHBondContact O-N 2.88Å; A327-S329 PolarHBondContact O-N 3.07Å; A327-S329 VanDerWaalsContact O-N 3.16Å; A327-W330 HydrophobicContact CB-CD2 4.48Å; A327-W330 HydrophobicContact CB-CE3 4.23Å; A327-W330 PolarHBondContact O-N 2.97Å; A327-W330 VanDerWaalsContact O-N 3.14Å; A327-L335 HydrophobicContact CB-CD1 4.41Å |
| 328 | A | 70.9 | Confident | 71.3 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 81% | 0.81 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N326 | N326-A328 PolarHBondContact O-N 3.04Å; N326-A328 VanDerWaalsContact O-N 3.14Å |
| 329 | S | 73.9 | Confident | 71.3 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 67% | 0.671 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -9.9 | 178.8 | 71.7 | 0 | 0 | 0 | 0 | 114.4 | N326 A327 | N326-S329 PolarHBondContact O-N 3.3Å; N326-S329 PolarHBondContact O-OG 2.85Å; A327-S329 PolarHBondContact O-N 3.07Å; A327-S329 VanDerWaalsContact O-N 3.16Å |
| 330 | W | 70.9 | Confident | 71.2 | Confident | 56 Ų | 56 | 71 Ų | 71 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | trans | -79.8 | 143.6 | -170 | -69.5 | -1.3 | 0 | 0 | 0 | 112.9 | I323 N326 A327 T334 L335 F338 | I323-W330 HydrophobicContact CG2-CH2 4.06Å; I323-W330 HydrophobicContact CG2-CZ3 4.27Å; N326-W330 HydrophobicContact CB-CZ2 4.06Å; N326-W330 VanDerWaalsContact O-CD1 3.28Å; N326-W330 PolarHBondContact O-NE1 3.18Å; A327-W330 HydrophobicContact CB-CD2 4.48Å; A327-W330 HydrophobicContact CB-CE3 4.23Å; A327-W330 PolarHBondContact O-N 2.97Å; A327-W330 VanDerWaalsContact O-N 3.14Å; W330-T334 HydrophobicContact CB-CG2 4.42Å; W330-T334 HydrophobicContact CD2-CG2 4.31Å; W330-T334 HydrophobicContact CG-CG2 4.19Å; W330-L335 HydrophobicContact CE3-CB 4.49Å; W330-L335 HydrophobicContact CE3-CD1 3.81Å; W330-L335 HydrophobicContact CZ3-CD1 4.25Å; W330-F338 HydrophobicContact CE3-CB 4.44Å; W330-F338 HydrophobicContact CH2-CB 4.25Å; W330-F338 AromaticContact CH2-CD1 3.82Å; W330-F338 HydrophobicContact CH2-CD1 3.82Å; W330-F338 AromaticContact CH2-CD2 3.74Å; W330-F338 HydrophobicContact CH2-CD2 3.74Å; W330-F338 HydrophobicContact CH2-CE1 4.1Å; W330-F338 HydrophobicContact CH2-CE2 4.01Å; W330-F338 AromaticContact CH2-CG 3.63Å; W330-F338 HydrophobicContact CH2-CG 3.63Å; W330-F338 HydrophobicContact CH2-CZ 4.19Å; W330-F338 HydrophobicContact CZ3-CB 3.75Å; W330-F338 AromaticContact CZ3-CD1 3.52Å; W330-F338 HydrophobicContact CZ3-CD1 3.52Å; W330-F338 HydrophobicContact CZ3-CD2 4.08Å; W330-F338 HydrophobicContact CZ3-CE1 4.14Å; W330-F338 AromaticContact CZ3-CG 3.48Å; W330-F338 HydrophobicContact CZ3-CG 3.48Å; W330-F338 VanDerWaalsContact CZ3-CG 3.48Å | ||
| 331 | S | 72.5 | Confident | 71 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | trans | -69.1 | 156 | 167.3 | 82.7 | 0 | 0 | 0 | 0 | 110.6 | K333 T334 L335 | S331-K333 PolarHBondContact O-N 3.27Å; S331-T334 PolarHBondContact O-N 3.24Å; S331-T334 VanDerWaalsContact O-N 3.13Å; S331-T334 PolarHBondContact OG-N 3.28Å; S331-T334 VanDerWaalsContact OG-N 3.17Å; S331-T334 PolarHBondContact OG-OG1 3.42Å; S331-L335 PolarHBondContact O-N 2.92Å | ||
| 332 | T | 67.2 | Low | 70.9 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.2 | -36.7 | 177 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | M336 | T332-M336 VanDerWaalsContact O-CG 3.28Å; T332-M336 WeakPolarHBondContact O-CG 3.31Å; T332-M336 PolarHBondContact O-N 2.79Å; T332-M336 VanDerWaalsContact O-N 3.14Å |
| 333 | K | 73.8 | Confident | 71.4 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.6 | -50.3 | 176.5 | -175.8 | 179.3 | 176.8 | -175.9 | 0 | 111 | S331 L335 M336 D337 | S331-K333 PolarHBondContact O-N 3.27Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.48Å; K333-M336 PolarHBondContact O-N 3.45Å; K333-M336 VanDerWaalsContact O-N 3.1Å; K333-D337 WeakPolarHBondContact CG-OD2 3.34Å; K333-D337 WeakPolarHBondContact O-CB 3.31Å; K333-D337 PolarHBondContact O-N 3.42Å |
| 334 | T | 73.9 | Confident | 72 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 178.3 | -48.9 | 0 | 0 | 0 | 0 | 112.2 | W330 S331 F338 | W330-T334 HydrophobicContact CB-CG2 4.42Å; W330-T334 HydrophobicContact CD2-CG2 4.31Å; W330-T334 HydrophobicContact CG-CG2 4.19Å; S331-T334 PolarHBondContact O-N 3.24Å; S331-T334 VanDerWaalsContact O-N 3.13Å; S331-T334 PolarHBondContact OG-N 3.28Å; S331-T334 VanDerWaalsContact OG-N 3.17Å; S331-T334 PolarHBondContact OG-OG1 3.42Å; T334-F338 WeakPolarHBondContact O-CB 3.46Å; T334-F338 PolarHBondContact O-N 3.14Å |
| 335 | L | 67.6 | Low | 73 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.1 | -174.3 | 74.8 | 0 | 0 | 0 | 111.8 | A4 F6 A327 W330 S331 K333 F338 V339 | A4-L335 HydrophobicContact CB-CD2 4.21Å; F6-L335 HydrophobicContact CE2-CD1 4.36Å; F6-L335 HydrophobicContact CZ-CD1 3.81Å; A327-L335 HydrophobicContact CB-CD1 4.41Å; W330-L335 HydrophobicContact CE3-CB 4.49Å; W330-L335 HydrophobicContact CE3-CD1 3.81Å; W330-L335 HydrophobicContact CZ3-CD1 4.25Å; S331-L335 PolarHBondContact O-N 2.92Å; K333-L335 VanDerWaalsContact C-N 3.27Å; K333-L335 PolarHBondContact O-N 3.48Å; L335-F338 PolarHBondContact O-N 3.28Å; L335-V339 WeakPolarHBondContact O-CB 3.47Å; L335-V339 WeakPolarHBondContact O-CG2 3.27Å; L335-V339 PolarHBondContact O-N 3.35Å |
| 336 | M | 70 | Confident | 73.8 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -44 | -179.7 | -66 | -66 | -127.5 | 0 | 0 | 111.8 | T332 K333 F338 V339 E340 | T332-M336 VanDerWaalsContact O-CG 3.28Å; T332-M336 WeakPolarHBondContact O-CG 3.31Å; T332-M336 PolarHBondContact O-N 2.79Å; T332-M336 VanDerWaalsContact O-N 3.14Å; K333-M336 PolarHBondContact O-N 3.45Å; K333-M336 VanDerWaalsContact O-N 3.1Å; M336-F338 VanDerWaalsContact C-N 3.29Å; M336-F338 PolarHBondContact O-N 2.84Å; M336-V339 PolarHBondContact O-N 2.86Å; M336-E340 PolarHBondContact O-N 2.8Å |
| 337 | D | 72 | Confident | 74.9 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 175 | -64.2 | -9.2 | 0 | 0 | 0 | 110.3 | K333 E340 S341 | K333-D337 WeakPolarHBondContact CG-OD2 3.34Å; K333-D337 WeakPolarHBondContact O-CB 3.31Å; K333-D337 PolarHBondContact O-N 3.42Å; D337-E340 PolarHBondContact O-N 3.46Å; D337-S341 WeakPolarHBondContact O-CB 3.17Å; D337-S341 PolarHBondContact O-N 3.37Å; D337-S341 PolarHBondContact O-OG 2.97Å |
| 338 | F | 70.8 | Confident | 75.9 | Confident | 50 Ų | 50 | 57 Ų | 57 | 22% | 0.219 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 175 | 179.1 | -96.4 | 0 | 0 | 0 | 111.6 | I323 W330 T334 L335 M336 E340 S341 S342 L344 | I323-F338 HydrophobicContact CD1-CE1 3.92Å; I323-F338 HydrophobicContact CD1-CZ 3.48Å; I323-F338 VanDerWaalsContact CD1-CZ 3.48Å; I323-F338 HydrophobicContact CG1-CE1 4.16Å; I323-F338 HydrophobicContact CG1-CZ 3.72Å; I323-F338 HydrophobicContact CG2-CE1 3.75Å; I323-F338 HydrophobicContact CG2-CZ 4.18Å; W330-F338 HydrophobicContact CE3-CB 4.44Å; W330-F338 HydrophobicContact CH2-CB 4.25Å; W330-F338 AromaticContact CH2-CD1 3.82Å; W330-F338 HydrophobicContact CH2-CD1 3.82Å; W330-F338 AromaticContact CH2-CD2 3.74Å; W330-F338 HydrophobicContact CH2-CD2 3.74Å; W330-F338 HydrophobicContact CH2-CE1 4.1Å; W330-F338 HydrophobicContact CH2-CE2 4.01Å; W330-F338 AromaticContact CH2-CG 3.63Å; W330-F338 HydrophobicContact CH2-CG 3.63Å; W330-F338 HydrophobicContact CH2-CZ 4.19Å; W330-F338 HydrophobicContact CZ3-CB 3.75Å; W330-F338 AromaticContact CZ3-CD1 3.52Å; W330-F338 HydrophobicContact CZ3-CD1 3.52Å; W330-F338 HydrophobicContact CZ3-CD2 4.08Å; W330-F338 HydrophobicContact CZ3-CE1 4.14Å; W330-F338 AromaticContact CZ3-CG 3.48Å; W330-F338 HydrophobicContact CZ3-CG 3.48Å; W330-F338 VanDerWaalsContact CZ3-CG 3.48Å; T334-F338 WeakPolarHBondContact O-CB 3.46Å; T334-F338 PolarHBondContact O-N 3.14Å; L335-F338 PolarHBondContact O-N 3.28Å; M336-F338 VanDerWaalsContact C-N 3.29Å; M336-F338 PolarHBondContact O-N 2.84Å; F338-E340 VanDerWaalsContact C-N 3.32Å; F338-E340 PolarHBondContact O-N 2.82Å; F338-S341 WeakPolarHBondContact CA-OG 3.39Å; F338-S341 CarbonylContact O-C 3.57Å; F338-S341 PolarHBondContact O-N 3.25Å; F338-S341 VanDerWaalsContact O-N 3.15Å; F338-S341 PolarHBondContact O-OG 2.81Å; F338-S342 WeakPolarHBondContact CE1-OG 3.24Å; F338-S342 WeakPolarHBondContact O-CA 3.3Å; F338-S342 WeakPolarHBondContact O-CB 3.49Å; F338-S342 PolarHBondContact O-N 2.88Å; F338-S342 PolarHBondContact O-OG 3.2Å; F338-L344 HydrophobicContact CE1-CD1 4.24Å |
| 339 | V | 64.2 | Low | 76.9 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.5 | 167.2 | 0 | 0 | 0 | 0 | 111.3 | L335 M336 S341 S342 F370 | L335-V339 WeakPolarHBondContact O-CB 3.47Å; L335-V339 WeakPolarHBondContact O-CG2 3.27Å; L335-V339 PolarHBondContact O-N 3.35Å; M336-V339 PolarHBondContact O-N 2.86Å; V339-S341 VanDerWaalsContact C-N 3.34Å; V339-S342 WeakPolarHBondContact CA-OG 3.49Å; V339-S342 PolarHBondContact O-N 2.96Å; V339-S342 PolarHBondContact O-OG 3.35Å; V339-F370 HydrophobicContact CB-CE1 4.14Å; V339-F370 HydrophobicContact CG1-CD1 4.2Å; V339-F370 HydrophobicContact CG1-CE1 3.75Å; V339-F370 HydrophobicContact CG2-CD1 3.63Å; V339-F370 HydrophobicContact CG2-CE1 3.21Å; V339-F370 HydrophobicContact CG2-CZ 3.91Å |
| 340 | E | 67.3 | Low | 77.7 | Confident | 165 Ų | 165 | 48.2 Ų | 48.2 | 77% | 0.771 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 175.4 | -74.6 | -178 | 177.2 | 0 | 0 | 111.8 | M336 D337 F338 | M336-E340 PolarHBondContact O-N 2.8Å; D337-E340 PolarHBondContact O-N 3.46Å; F338-E340 VanDerWaalsContact C-N 3.32Å; F338-E340 PolarHBondContact O-N 2.82Å |
| 341 | S | 70.5 | Confident | 78.3 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -77.6 | -25.1 | 179 | 72.1 | 0 | 0 | 0 | 0 | 115.3 | D337 F338 V339 | D337-S341 WeakPolarHBondContact O-CB 3.17Å; D337-S341 PolarHBondContact O-N 3.37Å; D337-S341 PolarHBondContact O-OG 2.97Å; F338-S341 WeakPolarHBondContact CA-OG 3.39Å; F338-S341 CarbonylContact O-C 3.57Å; F338-S341 PolarHBondContact O-N 3.25Å; F338-S341 VanDerWaalsContact O-N 3.15Å; F338-S341 PolarHBondContact O-OG 2.81Å; V339-S341 VanDerWaalsContact C-N 3.34Å |
| 342 | S | 69 | Low | 78.6 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.9 | -166.3 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | I318 F338 V339 L344 | I318-S342 VanDerWaalsContact CD1-O 3.3Å; I318-S342 WeakPolarHBondContact CD1-O 3.32Å; F338-S342 WeakPolarHBondContact CE1-OG 3.24Å; F338-S342 WeakPolarHBondContact O-CA 3.3Å; F338-S342 WeakPolarHBondContact O-CB 3.49Å; F338-S342 PolarHBondContact O-N 2.88Å; F338-S342 PolarHBondContact O-OG 3.2Å; V339-S342 WeakPolarHBondContact CA-OG 3.49Å; V339-S342 PolarHBondContact O-N 2.96Å; V339-S342 PolarHBondContact O-OG 3.35Å; S342-L344 PolarHBondContact O-N 3.13Å; S342-L344 WeakPolarHBondContact OG-CG 3.18Å |
| 343 | N | 80.3 | Confident | 78.8 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.193 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31 | 174.4 | -162.7 | 30.3 | 0 | 0 | 0 | 113.2 | S306 K546 | S306-N343 WeakPolarHBondContact CB-OD1 3.25Å; S306-N343 PolarHBondContact OG-OD1 3.36Å; N343-K546 VanDerWaalsContact ND2-CE 3.33Å; N343-K546 WeakPolarHBondContact ND2-CE 3.39Å; N343-K546 PolarHBondContact ND2-NZ 2.81Å; N343-K546 PolarHBondContact O-NZ 3.46Å |
| 344 | L | 88.1 | Confident | 78.3 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | trans | -85.9 | 152.8 | 178.1 | -65.5 | 179.3 | 0 | 0 | 0 | 110.9 | F6 I318 F338 S342 F370 R372 | F6-L344 HydrophobicContact CD1-CD1 4.49Å; F6-L344 HydrophobicContact CE1-CD1 4.36Å; I318-L344 HydrophobicContact CD1-CD2 4.44Å; I318-L344 HydrophobicContact CG2-CD2 4.33Å; F338-L344 HydrophobicContact CE1-CD1 4.24Å; S342-L344 PolarHBondContact O-N 3.13Å; S342-L344 WeakPolarHBondContact OG-CG 3.18Å; L344-F370 HydrophobicContact CD1-CB 4.33Å; L344-R372 HydrophobicContact CD2-CG 3.81Å | ||
| 345 | V | 92.5 | Very high | 77.3 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.9 | 166.1 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | V303 Y304 W305 V347 F370 A371 C374 K546 L547 | V303-V345 HydrophobicContact CG1-CG1 3.95Å; Y304-V345 CarbonylContact O-C 3.54Å; Y304-V345 WeakPolarHBondContact O-CA 3.37Å; W305-V345 HydrophobicContact CB-CG1 4.48Å; W305-V345 HydrophobicContact CB-CG2 4.3Å; V345-V347 HydrophobicContact CG1-CG2 4.22Å; V345-F370 CarbonylContact O-C 3.53Å; V345-F370 VanDerWaalsContact O-CA 3.31Å; V345-F370 WeakPolarHBondContact O-CA 3.3Å; V345-A371 PolarHBondContact N-O 3.27Å; V345-A371 PolarHBondContact O-N 3.29Å; V345-C374 HydrophobicContact CB-CB 4.22Å; V345-C374 HydrophobicContact CG1-CB 3.77Å; V345-C374 HydrophobicContact CG2-CB 4.28Å; V345-K546 HydrophobicContact CG2-CB 4.17Å; V345-L547 HydrophobicContact CG1-CD2 3.87Å; V345-L547 HydrophobicContact CG2-CD2 3.88Å |
| 346 | C | 91.4 | Very high | 76.2 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.8 | 172.2 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V303 Y304 Y369 F370 | V303-C346 CarbonylContact C-O 3.6Å; V303-C346 WeakPolarHBondContact CA-O 3.2Å; Y304-C346 HydrophobicContact CD2-CB 4.39Å; Y304-C346 PolarHBondContact N-O 3.39Å; Y304-C346 PolarHBondContact O-N 2.91Å; C346-Y369 CarbonylContact C-O 3.51Å; C346-Y369 VanDerWaalsContact CA-O 3.27Å; C346-Y369 WeakPolarHBondContact CA-O 3.48Å; C346-F370 HydrophobicContact CB-CD1 3.74Å; C346-F370 HydrophobicContact CB-CE1 3.59Å; C346-F370 WeakPolarHBondContact SG-CE1 3.49Å |
| 347 | V | 94.8 | Very high | 75.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.6 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L10 L12 L35 A300 H302 V303 V345 V349 R368 Y369 | L10-V347 HydrophobicContact CD2-CB 3.69Å; L10-V347 HydrophobicContact CD2-CG1 4.44Å; L10-V347 HydrophobicContact CD2-CG2 3.44Å; L10-V347 VanDerWaalsContact CD2-CG2 3.44Å; L12-V347 HydrophobicContact CD2-CG1 4.24Å; L35-V347 HydrophobicContact CD1-CG1 4.28Å; A300-V347 HydrophobicContact CB-CG1 3.76Å; H302-V347 CarbonylContact O-C 3.6Å; H302-V347 VanDerWaalsContact O-CA 3.31Å; H302-V347 WeakPolarHBondContact O-CA 3.33Å; V303-V347 HydrophobicContact CG1-CG2 4.36Å; V303-V347 HydrophobicContact CG2-CG1 4.43Å; V303-V347 HydrophobicContact CG2-CG2 4.14Å; V345-V347 HydrophobicContact CG1-CG2 4.22Å; V347-V349 HydrophobicContact CG1-CG2 4.21Å; V347-R368 WeakPolarHBondContact O-CA 3.33Å; V347-Y369 PolarHBondContact N-O 3.19Å; V347-Y369 PolarHBondContact O-N 3.37Å |
| 348 | D | 91.8 | Very high | 73.9 | Confident | 18 Ų | 18 | 54 Ų | 54 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.5 | 171 | -73.8 | -10.5 | 0 | 0 | 0 | 110 | R301 H302 R368 | R301-D348 PolarHBondContact N-O 3.09Å; H302-D348 HydrophobicContact CB-CB 4.07Å; H302-D348 PolarHBondContact O-N 3.45Å; D348-R368 VanDerWaalsContact OD1-CD 3.27Å; D348-R368 WeakPolarHBondContact OD1-CD 3.27Å; D348-R368 VanDerWaalsContact OD1-CG 3.22Å; D348-R368 WeakPolarHBondContact OD1-CG 3.47Å; D348-R368 IonicContact OD1-CZ 3.93Å; D348-R368 IonicContact OD1-NE 2.86Å; D348-R368 PolarHBondContact OD1-NE 2.85Å |
| 349 | V | 93 | Very high | 73 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.7 | -174.9 | 179.8 | 0 | 0 | 0 | 0 | 111 | L35 C298 V299 V347 S366 R367 Y369 | L35-V349 HydrophobicContact CD1-CG2 3.58Å; C298-V349 HydrophobicContact CB-CG1 3.5Å; V299-V349 WeakPolarHBondContact O-CA 3.23Å; V347-V349 HydrophobicContact CG1-CG2 4.21Å; V349-S366 WeakPolarHBondContact O-CA 3.43Å; V349-R367 PolarHBondContact N-O 2.79Å; V349-R367 PolarHBondContact O-N 2.93Å; V349-Y369 HydrophobicContact CB-CD2 4.47Å; V349-Y369 HydrophobicContact CB-CE2 4.2Å; V349-Y369 HydrophobicContact CG2-CD2 3.6Å; V349-Y369 HydrophobicContact CG2-CE2 3.68Å |
| 350 | A | 89.2 | Confident | 72.1 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | V299 R301 F361 | V299-A350 PolarHBondContact N-O 2.85Å; V299-A350 PolarHBondContact O-N 3.23Å; R301-A350 HydrophobicContact CG-CB 3.83Å; A350-F361 HydrophobicContact CB-CD2 3.99Å; A350-F361 HydrophobicContact CB-CE2 4.25Å |
| 351 | Q | 84.6 | Confident | 71.1 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.5 | 178.1 | -156.6 | 73.2 | 3.5 | 0 | 0 | 110.9 | R297 | R297-Q351 CarbonylContact O-C 3.56Å; R297-Q351 WeakPolarHBondContact O-CA 3.32Å |
| 352 | Y | 79.1 | Confident | 70.1 | Confident | 40 Ų | 40 | 53 Ų | 53 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | trans | -103.5 | 115.1 | 175.4 | -172.1 | -122.6 | 0 | 0 | 0 | 112 | R297 V299 G354 L359 F515 | R297-Y352 WeakPolarHBondContact CB-O 3.17Å; R297-Y352 WeakPolarHBondContact CD-O 3.3Å; R297-Y352 PolarHBondContact O-N 2.96Å; V299-Y352 HydrophobicContact CG2-CG 4.44Å; Y352-G354 VanDerWaalsContact CE1-CA 3.5Å; Y352-L359 HydrophobicContact CD2-CD2 3.4Å; Y352-L359 VanDerWaalsContact CD2-CD2 3.4Å; Y352-L359 HydrophobicContact CE2-CD2 3.98Å; Y352-L359 HydrophobicContact CG-CD2 4.45Å; Y352-F515 HydrophobicContact CD1-CE2 4.06Å; Y352-F515 HydrophobicContact CD1-CZ 4.19Å; Y352-F515 HydrophobicContact CD2-CZ 4.2Å; Y352-F515 AromaticContact CE1-CE2 3.68Å; Y352-F515 HydrophobicContact CE1-CE2 3.68Å; Y352-F515 HydrophobicContact CE1-CZ 4.16Å; Y352-F515 HydrophobicContact CE2-CE2 4.26Å; Y352-F515 HydrophobicContact CE2-CZ 4.16Å; Y352-F515 HydrophobicContact CG-CZ 4.21Å; Y352-F515 AromaticContact CZ-CE2 3.79Å | ||
| 353 | S | 71 | Confident | 69.2 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | trans | -80.4 | -18 | 177.6 | 56 | 0 | 0 | 0 | 0 | 113.7 | R297 E355 | R297-S353 PolarHBondContact NH1-O 3.02Å; R297-S353 VanDerWaalsContact NH1-O 3.07Å; S353-E355 PolarHBondContact O-N 3.02Å | ||
| 354 | G | 63.4 | Low | 67.5 | Low | 42 Ų | 42 | 68.9 Ų | 68.9 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 81.1 | -23.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y352 | Y352-G354 VanDerWaalsContact CE1-CA 3.5Š|
| 355 | E | 52.4 | Low | 65.8 | Low | 190 Ų | 190 | 71.5 Ų | 71.5 | 89% | 0.888 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -97.5 | -12.7 | -170.2 | -72.2 | 177 | 174.5 | 0 | 0 | 115 | S353 | S353-E355 PolarHBondContact O-N 3.02Š|
| 356 | S | 45.2 | Very low | 64.6 | Low | 50 Ų | 50 | 72.2 Ų | 72.2 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | trans | -124.4 | 134.6 | -177.2 | -165.6 | 0 | 0 | 0 | 0 | 111.9 | M358 | S356-M358 WeakPolarHBondContact CB-O 3.26Å; S356-M358 CarbonylContact O-C 3.42Å; S356-M358 PolarHBondContact O-N 3.03Å; S356-M358 PolarHBondContact OG-N 3.26Å | ||
| 357 | S | 48.6 | Very low | 64.3 | Low | 106 Ų | 106 | 76 Ų | 76 | 74% | 0.741 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -57.8 | -19 | 164.3 | 37.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 358 | M | 45.2 | Very low | 64 | Low | 145 Ų | 145 | 79.1 Ų | 79.1 | 71% | 0.714 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -88.2 | 109 | 164.2 | -72.8 | -151.5 | -105.9 | 0 | 0 | 110.8 | S356 V360 | S356-M358 WeakPolarHBondContact CB-O 3.26Å; S356-M358 CarbonylContact O-C 3.42Å; S356-M358 PolarHBondContact O-N 3.03Å; S356-M358 PolarHBondContact OG-N 3.26Å; M358-V360 PolarHBondContact O-N 2.66Å; M358-V360 VanDerWaalsContact O-N 3.13Å |
| 359 | L | 50.5 | Low | 64.1 | Low | 38 Ų | 38 | 78.2 Ų | 78.2 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | trans | -56.1 | 116.8 | 151.4 | -74.2 | 173.5 | 0 | 0 | 0 | 107.7 | Y352 F361 R389 | Y352-L359 HydrophobicContact CD2-CD2 3.4Å; Y352-L359 VanDerWaalsContact CD2-CD2 3.4Å; Y352-L359 HydrophobicContact CE2-CD2 3.98Å; Y352-L359 HydrophobicContact CG-CD2 4.45Å; L359-F361 PolarHBondContact O-N 3.45Å; L359-R389 HydrophobicContact CD1-CB 4.08Å; L359-R389 HydrophobicContact CD1-CG 4.41Å; L359-R389 WeakPolarHBondContact CD1-O 3.33Å | ||
| 360 | V | 46.1 | Very low | 64 | Low | 102 Ų | 102 | 78.2 Ų | 78.2 | 62% | 0.618 | 40% | 0.404 | S | S | * | . | trans | -71.1 | 88.9 | 165.8 | -176.4 | 0 | 0 | 0 | 0 | 106 | M358 D362 | M358-V360 PolarHBondContact O-N 2.66Å; M358-V360 VanDerWaalsContact O-N 3.13Å; V360-D362 HydrophobicContact CG1-CB 4.32Å; V360-D362 PolarHBondContact O-N 3.11Å | ||
| 361 | F | 45.8 | Very low | 64.3 | Low | 92 Ų | 92 | 78 Ų | 78 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | trans | -77.6 | 75.9 | 168.3 | -167.6 | -103.8 | 0 | 0 | 0 | 107.5 | R301 A350 L359 R363 | R301-F361 HydrophobicContact CG-CE2 4.19Å; A350-F361 HydrophobicContact CB-CD2 3.99Å; A350-F361 HydrophobicContact CB-CE2 4.25Å; L359-F361 PolarHBondContact O-N 3.45Å; F361-R363 HydrophobicContact CD1-CG 3.69Å; F361-R363 HydrophobicContact CE1-CB 4.45Å; F361-R363 HydrophobicContact CE1-CG 3.24Å; F361-R363 HydrophobicContact CZ-CG 4.16Å; F361-R363 PolarHBondContact O-N 2.91Å; F361-R363 VanDerWaalsContact O-N 3.17Å | ||
| 362 | D | 49.9 | Very low | 64.6 | Low | 71 Ų | 71 | 76 Ų | 76 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | trans | -75.3 | 101.7 | 165.5 | -172.8 | 2.9 | 0 | 0 | 0 | 107.8 | V360 Q364 S365 | V360-D362 HydrophobicContact CG1-CB 4.32Å; V360-D362 PolarHBondContact O-N 3.11Å; D362-Q364 PolarHBondContact O-N 3.42Å; D362-Q364 VanDerWaalsContact O-N 3.08Å; D362-Q364 VanDerWaalsContact OD1-CB 3.24Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.31Å; D362-Q364 PolarHBondContact OD1-N 3.44Å; D362-S365 PolarHBondContact O-N 3.11Å; D362-S365 PolarHBondContact O-OG 3.15Å | ||
| 363 | R | 49.7 | Very low | 65.4 | Low | 203 Ų | 203 | 74.4 Ų | 74.4 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -54.7 | -23.7 | 172.5 | -82.1 | -173.4 | -178.7 | -160.6 | -0.9 | 111.7 | F361 S365 | F361-R363 HydrophobicContact CD1-CG 3.69Å; F361-R363 HydrophobicContact CE1-CB 4.45Å; F361-R363 HydrophobicContact CE1-CG 3.24Å; F361-R363 HydrophobicContact CZ-CG 4.16Å; F361-R363 PolarHBondContact O-N 2.91Å; F361-R363 VanDerWaalsContact O-N 3.17Å; R363-S365 VanDerWaalsContact C-N 3.34Å |
| 364 | Q | 44.8 | Very low | 66.7 | Low | 176 Ų | 176 | 71.8 Ų | 71.8 | 82% | 0.822 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -77.9 | -18.3 | 179.2 | -56.4 | -167.8 | -10.9 | 0 | 0 | 112.9 | D362 | D362-Q364 PolarHBondContact O-N 3.42Å; D362-Q364 VanDerWaalsContact O-N 3.08Å; D362-Q364 VanDerWaalsContact OD1-CB 3.24Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.31Å; D362-Q364 PolarHBondContact OD1-N 3.44Å |
| 365 | S | 52.6 | Low | 68.4 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -107.6 | 7.1 | -177.4 | 88.4 | 0 | 0 | 0 | 0 | 114.8 | D362 R363 R367 | D362-S365 PolarHBondContact O-N 3.11Å; D362-S365 PolarHBondContact O-OG 3.15Å; R363-S365 VanDerWaalsContact C-N 3.34Å; S365-R367 PolarHBondContact O-N 3.08Å |
| 366 | S | 67.1 | Low | 70.6 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | trans | -69.1 | 119.2 | -175.2 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | S2 V349 | S2-S366 WeakPolarHBondContact CB-O 3.49Å; V349-S366 WeakPolarHBondContact O-CA 3.43Å | ||
| 367 | R | 85.8 | Confident | 73.2 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 148.4 | 173.3 | -71.3 | 177.2 | 165.6 | 164.5 | -7.1 | 110.4 | E3 V349 S365 Y369 | E3-R367 HydrophobicContact CB-CG 4.42Å; E3-R367 IonicContact OE2-CZ 2.81Å; E3-R367 IonicContact OE2-NE 2.74Å; E3-R367 PolarHBondContact OE2-NE 3.17Å; E3-R367 IonicContact OE2-NH2 3.12Å; E3-R367 PolarHBondContact OE2-NH2 2.86Å; V349-R367 PolarHBondContact N-O 2.79Å; V349-R367 PolarHBondContact O-N 2.93Å; S365-R367 PolarHBondContact O-N 3.08Å; R367-Y369 HydrophobicContact CB-CE2 4.03Å |
| 368 | R | 88.3 | Confident | 75.6 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.8 | 177.7 | -64.9 | -161.7 | 172 | 141.8 | 3.6 | 111.5 | E3 A4 I5 V347 D348 F370 | E3-R368 PolarHBondContact O-N 2.98Å; E3-R368 VanDerWaalsContact O-N 3.1Å; A4-R368 WeakPolarHBondContact CA-O 3.28Å; I5-R368 PolarHBondContact N-O 2.79Å; V347-R368 WeakPolarHBondContact O-CA 3.33Å; D348-R368 VanDerWaalsContact OD1-CD 3.27Å; D348-R368 WeakPolarHBondContact OD1-CD 3.27Å; D348-R368 VanDerWaalsContact OD1-CG 3.22Å; D348-R368 WeakPolarHBondContact OD1-CG 3.47Å; D348-R368 IonicContact OD1-CZ 3.93Å; D348-R368 IonicContact OD1-NE 2.86Å; D348-R368 PolarHBondContact OD1-NE 2.85Å; R368-F370 HydrophobicContact CB-CE2 3.7Å; R368-F370 HydrophobicContact CB-CZ 4.01Å |
| 369 | Y | 93.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.2 | 176.1 | -66.2 | -100.4 | 0 | 0 | 0 | 109.7 | I5 L10 I33 L35 H295 C346 V347 V349 R367 | I5-Y369 HydrophobicContact CB-CD1 3.76Å; I5-Y369 HydrophobicContact CB-CE1 3.85Å; I5-Y369 HydrophobicContact CB-CG 4.42Å; I5-Y369 HydrophobicContact CD1-CD1 4.22Å; I5-Y369 HydrophobicContact CD1-CE1 3.46Å; I5-Y369 VanDerWaalsContact CD1-CE1 3.46Å; I5-Y369 HydrophobicContact CD1-CE2 4.31Å; I5-Y369 HydrophobicContact CG1-CE1 4.25Å; I5-Y369 HydrophobicContact CG2-CD1 3.8Å; I5-Y369 HydrophobicContact CG2-CE1 3.81Å; I5-Y369 CarbonylContact O-C 3.46Å; I5-Y369 WeakPolarHBondContact O-CA 3.21Å; L10-Y369 HydrophobicContact CD1-CD1 3.98Å; L10-Y369 HydrophobicContact CD1-CG 4.13Å; I33-Y369 HydrophobicContact CD1-CD1 4.46Å; I33-Y369 HydrophobicContact CD1-CE1 4.5Å; I33-Y369 HydrophobicContact CG2-CD1 4.36Å; I33-Y369 HydrophobicContact CG2-CE1 4.13Å; L35-Y369 HydrophobicContact CD1-CD2 3.99Å; L35-Y369 HydrophobicContact CD1-CE2 4.32Å; L35-Y369 HydrophobicContact CD1-CG 4.21Å; L35-Y369 HydrophobicContact CD2-CD1 4.08Å; L35-Y369 HydrophobicContact CD2-CD2 4.17Å; L35-Y369 HydrophobicContact CD2-CE1 3.72Å; L35-Y369 HydrophobicContact CD2-CE2 3.83Å; L35-Y369 HydrophobicContact CD2-CG 4.29Å; H295-Y369 AromaticContact CE1-CE1 3.78Å; H295-Y369 AromaticContact ND1-CE1 3.37Å; H295-Y369 WeakPolarHBondContact ND1-CE1 3.34Å; H295-Y369 AromaticContact ND1-CZ 3.45Å; H295-Y369 PolarHBondContact ND1-OH 2.82Å; C346-Y369 CarbonylContact C-O 3.51Å; C346-Y369 VanDerWaalsContact CA-O 3.27Å; C346-Y369 WeakPolarHBondContact CA-O 3.48Å; V347-Y369 PolarHBondContact N-O 3.19Å; V347-Y369 PolarHBondContact O-N 3.37Å; V349-Y369 HydrophobicContact CB-CD2 4.47Å; V349-Y369 HydrophobicContact CB-CE2 4.2Å; V349-Y369 HydrophobicContact CG2-CD2 3.6Å; V349-Y369 HydrophobicContact CG2-CE2 3.68Å; R367-Y369 HydrophobicContact CB-CE2 4.03Å |
| 370 | F | 92 | Very high | 80.3 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.7 | -179.3 | -61.6 | -86.8 | 0 | 0 | 0 | 109.4 | A4 I5 F6 C7 V339 L344 V345 C346 R368 | A4-F370 HydrophobicContact CB-CD2 4.29Å; A4-F370 HydrophobicContact CB-CE2 3.77Å; I5-F370 PolarHBondContact O-N 3.02Å; F6-F370 WeakPolarHBondContact CA-O 3.21Å; F6-F370 HydrophobicContact CD1-CB 3.49Å; F6-F370 VanDerWaalsContact CD1-CB 3.49Å; F6-F370 HydrophobicContact CD1-CD2 4.36Å; F6-F370 HydrophobicContact CD1-CG 4.15Å; F6-F370 HydrophobicContact CE1-CB 3.59Å; F6-F370 AromaticContact CE1-CD2 3.95Å; F6-F370 HydrophobicContact CE1-CD2 3.95Å; F6-F370 AromaticContact CE1-CG 3.78Å; F6-F370 HydrophobicContact CE1-CG 3.78Å; F6-F370 HydrophobicContact CE2-CD2 4.3Å; F6-F370 HydrophobicContact CG-CB 4.23Å; F6-F370 HydrophobicContact CZ-CB 4.41Å; F6-F370 AromaticContact CZ-CD2 3.92Å; F6-F370 HydrophobicContact CZ-CD2 3.92Å; F6-F370 HydrophobicContact CZ-CE2 4.48Å; F6-F370 HydrophobicContact CZ-CG 4.2Å; C7-F370 PolarHBondContact N-O 2.82Å; V339-F370 HydrophobicContact CB-CE1 4.14Å; V339-F370 HydrophobicContact CG1-CD1 4.2Å; V339-F370 HydrophobicContact CG1-CE1 3.75Å; V339-F370 HydrophobicContact CG2-CD1 3.63Å; V339-F370 HydrophobicContact CG2-CE1 3.21Å; V339-F370 HydrophobicContact CG2-CZ 3.91Å; L344-F370 HydrophobicContact CD1-CB 4.33Å; V345-F370 CarbonylContact O-C 3.53Å; V345-F370 VanDerWaalsContact O-CA 3.31Å; V345-F370 WeakPolarHBondContact O-CA 3.3Å; C346-F370 HydrophobicContact CB-CD1 3.74Å; C346-F370 HydrophobicContact CB-CE1 3.59Å; C346-F370 WeakPolarHBondContact SG-CE1 3.49Å; R368-F370 HydrophobicContact CB-CE2 3.7Å; R368-F370 HydrophobicContact CB-CZ 4.01Å |
| 371 | A | 94.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C7 L10 V345 F373 | C7-A371 WeakPolarHBondContact O-CA 3.44Å; C7-A371 WeakPolarHBondContact O-CB 3.33Å; L10-A371 HydrophobicContact CB-CB 3.67Å; V345-A371 PolarHBondContact N-O 3.27Å; V345-A371 PolarHBondContact O-N 3.29Å; A371-F373 VanDerWaalsContact C-N 3.34Å; A371-F373 WeakPolarHBondContact CB-O 3.5Å |
| 372 | R | 91.9 | Very high | 85.3 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 18% | 0.177 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | -38.2 | 173.5 | -73.4 | 170.1 | 74.5 | -173 | 8.8 | 111.4 | D8 I318 I320 L344 K546 | D8-R372 PolarHBondContact O-N 2.91Å; I318-R372 HydrophobicContact CG2-CG 4.45Å; I320-R372 HydrophobicContact CD1-CG 3.73Å; I320-R372 HydrophobicContact CG1-CG 4.37Å; L344-R372 HydrophobicContact CD2-CG 3.81Å; R372-K546 WeakPolarHBondContact O-CD 3.23Å |
| 373 | F | 96.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.7 | 178.7 | -53.6 | -84.2 | 0 | 0 | 0 | 110.5 | D8 V9 L10 A371 P545 K546 L548 V578 C581 I582 | D8-F373 PolarHBondContact O-N 2.98Å; V9-F373 WeakPolarHBondContact CA-O 3.24Å; V9-F373 HydrophobicContact CG1-CB 4.35Å; V9-F373 HydrophobicContact CG2-CB 4.42Å; V9-F373 HydrophobicContact CG2-CD2 4.44Å; L10-F373 PolarHBondContact N-O 3.21Å; A371-F373 VanDerWaalsContact C-N 3.34Å; A371-F373 WeakPolarHBondContact CB-O 3.5Å; F373-P545 WeakPolarHBondContact CD1-O 3.19Å; F373-P545 HydrophobicContact CE1-CG 4.48Å; F373-P545 WeakPolarHBondContact CE1-O 3.45Å; F373-K546 WeakPolarHBondContact CA-O 3.5Å; F373-L548 HydrophobicContact CB-CD1 4.21Å; F373-L548 HydrophobicContact CD1-CD1 4.31Å; F373-V578 HydrophobicContact CB-CG2 4.06Å; F373-V578 HydrophobicContact CD1-CG2 4.24Å; F373-V578 HydrophobicContact CD2-CG1 3.77Å; F373-V578 HydrophobicContact CE2-CG1 4.1Å; F373-V578 HydrophobicContact CG-CG1 4.05Å; F373-V578 HydrophobicContact CG-CG2 4.05Å; F373-C581 HydrophobicContact CE1-CB 4.22Å; F373-C581 HydrophobicContact CZ-CB 4.13Å; F373-I582 HydrophobicContact CD2-CD1 4.41Å; F373-I582 HydrophobicContact CE2-CD1 3.85Å; F373-I582 HydrophobicContact CE2-CG1 3.71Å; F373-I582 HydrophobicContact CZ-CG1 4.15Å |
| 374 | C | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.3 | 170.3 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | L10 V345 K546 L547 L548 | L10-C374 CarbonylContact O-C 3.58Å; L10-C374 WeakPolarHBondContact O-CA 3.18Å; V345-C374 HydrophobicContact CB-CB 4.22Å; V345-C374 HydrophobicContact CG1-CB 3.77Å; V345-C374 HydrophobicContact CG2-CB 4.28Å; C374-K546 PolarHBondContact N-O 2.82Å; C374-L547 HydrophobicContact CB-CD2 3.8Å; C374-L547 CarbonylContact O-C 3.58Å; C374-L547 WeakPolarHBondContact O-CA 3.43Å; C374-L548 PolarHBondContact O-N 2.7Å |
| 375 | I | 98.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 112.9 | 174.8 | -48.2 | 180 | 0 | 0 | 0 | 109 | V9 L10 I11 L12 A21 L25 T377 L548 A550 R574 V578 | V9-I375 HydrophobicContact CG1-CD1 4.04Å; V9-I375 HydrophobicContact CG1-CG1 4Å; L10-I375 PolarHBondContact O-N 3.14Å; I11-I375 CarbonylContact C-O 3.55Å; I11-I375 WeakPolarHBondContact CA-O 3.36Å; I11-I375 HydrophobicContact CG1-CB 4.18Å; I11-I375 HydrophobicContact CG1-CD1 4.45Å; I11-I375 HydrophobicContact CG1-CG1 4.48Å; L12-I375 PolarHBondContact N-O 3.1Å; A21-I375 HydrophobicContact CB-CD1 4.03Å; L25-I375 HydrophobicContact CD1-CD1 3.87Å; I375-T377 HydrophobicContact CG2-CG2 3.82Å; I375-L548 CarbonylContact C-O 3.59Å; I375-L548 WeakPolarHBondContact CA-O 3.42Å; I375-L548 HydrophobicContact CB-CB 4.45Å; I375-L548 HydrophobicContact CG1-CB 4.15Å; I375-L548 HydrophobicContact CG1-CD1 4.36Å; I375-L548 HydrophobicContact CG2-CB 4.31Å; I375-A550 HydrophobicContact CG2-CB 4.4Å; I375-R574 HydrophobicContact CD1-CB 4.2Å; I375-R574 HydrophobicContact CG2-CB 3.99Å; I375-R574 HydrophobicContact CG2-CG 4.31Å; I375-V578 HydrophobicContact CD1-CG2 4.31Å |
| 376 | I | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 114.2 | -178 | -59.1 | 160.1 | 0 | 0 | 0 | 108.3 | L12 V378 L383 F394 L547 L548 F549 A550 | L12-I376 HydrophobicContact CD1-CG1 4.25Å; I376-V378 HydrophobicContact CG2-CG2 3.91Å; I376-L383 HydrophobicContact CG2-CD1 4.39Å; I376-L383 HydrophobicContact CG2-CD2 3.98Å; I376-F394 HydrophobicContact CD1-CE1 3.58Å; I376-F394 HydrophobicContact CD1-CZ 3.98Å; I376-L547 HydrophobicContact CD1-CB 4.22Å; I376-L547 HydrophobicContact CD1-CD1 4.3Å; I376-L547 HydrophobicContact CD1-CD2 4.46Å; I376-L548 PolarHBondContact N-O 2.93Å; I376-F549 HydrophobicContact CB-CD1 3.91Å; I376-F549 HydrophobicContact CB-CE1 4.02Å; I376-F549 HydrophobicContact CD1-CD1 4.16Å; I376-F549 HydrophobicContact CD1-CE1 3.47Å; I376-F549 VanDerWaalsContact CD1-CE1 3.47Å; I376-F549 HydrophobicContact CD1-CE2 4.21Å; I376-F549 HydrophobicContact CD1-CZ 3.5Å; I376-F549 VanDerWaalsContact CD1-CZ 3.5Å; I376-F549 HydrophobicContact CG1-CE1 4.37Å; I376-F549 HydrophobicContact CG2-CD1 4.05Å; I376-F549 HydrophobicContact CG2-CE1 4.03Å; I376-F549 WeakPolarHBondContact O-CA 3.43Å; I376-A550 PolarHBondContact O-N 3.5Å |
| 377 | T | 98.7 | Very high | 95.9 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | trans | -124.4 | 10.8 | -177.9 | 74.7 | 0 | 0 | 0 | 0 | 114.4 | I11 L12 G13 I375 A550 | I11-T377 HydrophobicContact CG2-CG2 4.27Å; L12-T377 CarbonylContact O-C 3.02Å; L12-T377 WeakPolarHBondContact O-CA 3.49Å; L12-T377 PolarHBondContact O-N 2.99Å; L12-T377 PolarHBondContact O-OG1 3.14Å; G13-T377 PolarHBondContact O-OG1 3.28Å; I375-T377 HydrophobicContact CG2-CG2 3.82Å; T377-A550 WeakPolarHBondContact CA-O 3.27Å; T377-A550 HydrophobicContact CG2-CB 3.99Å | ||
| 378 | V | 98.5 | Very high | 96.3 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 12% | 0.121 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -66.3 | 153.1 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | L12 I376 V382 L383 I392 | L12-V378 HydrophobicContact CB-CG1 4.08Å; L12-V378 PolarHBondContact O-N 3.34Å; I376-V378 HydrophobicContact CG2-CG2 3.91Å; V378-V382 HydrophobicContact CB-CB 4.3Å; V378-V382 HydrophobicContact CB-CG1 4.24Å; V378-V382 HydrophobicContact CG2-CB 4.24Å; V378-V382 HydrophobicContact CG2-CG1 4.11Å; V378-L383 HydrophobicContact CG2-CD1 4.44Å; V378-L383 HydrophobicContact CG2-CD2 3.54Å; V378-L383 HydrophobicContact CG2-CG 3.79Å; V378-I392 HydrophobicContact CG1-CD1 4.24Å; V378-I392 HydrophobicContact CG2-CD1 3.93Å |
| 379 | P | 98 | Very high | 96.5 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 16% | 0.156 | 12% | 0.121 | C | C | . | . | trans | -60 | 149.9 | 178.8 | -26.9 | 37.8 | 0 | 0 | 0 | 113.2 | G381 V382 L383 F515 S516 | P379-G381 PolarHBondContact O-N 2.55Å; P379-G381 VanDerWaalsContact O-N 3.16Å; P379-V382 HydrophobicContact CB-CG2 4.35Å; P379-V382 HydrophobicContact CG-CG2 4.46Å; P379-V382 WeakPolarHBondContact O-CA 3.31Å; P379-V382 VanDerWaalsContact O-CB 3.27Å; P379-V382 WeakPolarHBondContact O-CB 3.49Å; P379-V382 PolarHBondContact O-N 3.2Å; P379-L383 PolarHBondContact O-N 3.17Å; P379-F515 WeakPolarHBondContact CG-O 3.34Å; P379-S516 VanDerWaalsContact CB-O 3.23Å; P379-S516 WeakPolarHBondContact CB-O 3.32Å | ||
| 380 | V | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -31.9 | -177.4 | 69.5 | 0 | 0 | 0 | 0 | 113 | V382 L383 K384 I406 L409 T521 Y535 | V380-V382 PolarHBondContact O-N 2.92Å; V380-L383 PolarHBondContact O-N 3.14Å; V380-L383 VanDerWaalsContact O-N 3.11Å; V380-K384 WeakPolarHBondContact O-CG 3.43Å; V380-K384 PolarHBondContact O-N 3.14Å; V380-I406 HydrophobicContact CG2-CB 4.4Å; V380-I406 HydrophobicContact CG2-CG2 4.02Å; V380-L409 WeakPolarHBondContact CG1-O 3.2Å; V380-L409 HydrophobicContact CG2-CB 3.97Å; V380-T521 HydrophobicContact CB-CG2 4.47Å; V380-T521 HydrophobicContact CG1-CG2 3.77Å; V380-Y535 HydrophobicContact CB-CE1 4.33Å; V380-Y535 HydrophobicContact CG2-CE1 4.35Å |
| 381 | G | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -31.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P379 K384 G385 L386 L517 | P379-G381 PolarHBondContact O-N 2.55Å; P379-G381 VanDerWaalsContact O-N 3.16Å; G381-K384 WeakPolarHBondContact O-CB 3.49Å; G381-K384 PolarHBondContact O-N 3.32Å; G381-G385 PolarHBondContact O-N 3.04Å; G381-L386 PolarHBondContact O-N 3.18Å; G381-L517 VanDerWaalsContact O-CD1 3.31Å; G381-L517 WeakPolarHBondContact O-CD1 3.32Å |
| 382 | V | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.036 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 173.5 | 177 | 0 | 0 | 0 | 0 | 110.1 | V378 P379 V380 K384 G385 S390 I392 L517 | V378-V382 HydrophobicContact CB-CB 4.3Å; V378-V382 HydrophobicContact CB-CG1 4.24Å; V378-V382 HydrophobicContact CG2-CB 4.24Å; V378-V382 HydrophobicContact CG2-CG1 4.11Å; P379-V382 HydrophobicContact CB-CG2 4.35Å; P379-V382 HydrophobicContact CG-CG2 4.46Å; P379-V382 WeakPolarHBondContact O-CA 3.31Å; P379-V382 VanDerWaalsContact O-CB 3.27Å; P379-V382 WeakPolarHBondContact O-CB 3.49Å; P379-V382 PolarHBondContact O-N 3.2Å; V380-V382 PolarHBondContact O-N 2.92Å; V382-K384 VanDerWaalsContact C-N 3.33Å; V382-K384 PolarHBondContact O-N 3.24Å; V382-G385 PolarHBondContact O-N 3.17Å; V382-S390 WeakPolarHBondContact CG1-O 3.49Å; V382-I392 HydrophobicContact CG1-CD1 4.13Å; V382-I392 HydrophobicContact CG1-CG1 4.09Å; V382-L517 HydrophobicContact CG2-CD1 3.98Å |
| 383 | L | 98.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.5 | -28.2 | 177.5 | -61.5 | 178.7 | 0 | 0 | 0 | 113.5 | I376 V378 P379 V380 F394 R403 I406 Y535 F549 | I376-L383 HydrophobicContact CG2-CD1 4.39Å; I376-L383 HydrophobicContact CG2-CD2 3.98Å; V378-L383 HydrophobicContact CG2-CD1 4.44Å; V378-L383 HydrophobicContact CG2-CD2 3.54Å; V378-L383 HydrophobicContact CG2-CG 3.79Å; P379-L383 PolarHBondContact O-N 3.17Å; V380-L383 PolarHBondContact O-N 3.14Å; V380-L383 VanDerWaalsContact O-N 3.11Å; L383-F394 HydrophobicContact CD2-CE2 3.98Å; L383-F394 HydrophobicContact CD2-CZ 3.9Å; L383-R403 PolarHBondContact O-NH1 3.44Å; L383-I406 HydrophobicContact CB-CD1 4.22Å; L383-I406 HydrophobicContact CB-CG2 3.88Å; L383-I406 HydrophobicContact CD1-CD1 4.29Å; L383-Y535 HydrophobicContact CD1-CE2 3.49Å; L383-Y535 VanDerWaalsContact CD1-CE2 3.49Å; L383-Y535 WeakPolarHBondContact CD1-OH 3.22Å; L383-F549 HydrophobicContact CD1-CD1 4.4Å; L383-F549 HydrophobicContact CD1-CE1 4.37Å |
| 384 | K | 97.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 29 Ų | 29 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.7 | -24.4 | 167.4 | -74.6 | -174.5 | -177 | -175.1 | 0 | 112.7 | V380 G381 V382 L386 I406 D407 L409 G410 I411 | V380-K384 WeakPolarHBondContact O-CG 3.43Å; V380-K384 PolarHBondContact O-N 3.14Å; G381-K384 WeakPolarHBondContact O-CB 3.49Å; G381-K384 PolarHBondContact O-N 3.32Å; V382-K384 VanDerWaalsContact C-N 3.33Å; V382-K384 PolarHBondContact O-N 3.24Å; K384-L386 HydrophobicContact CB-CD2 3.98Å; K384-L386 HydrophobicContact CB-CG 3.85Å; K384-L386 HydrophobicContact CD-CD1 4.2Å; K384-L386 HydrophobicContact CD-CD2 4.01Å; K384-L386 HydrophobicContact CD-CG 4.11Å; K384-I406 HydrophobicContact CB-CG2 4.46Å; K384-I406 WeakPolarHBondContact CE-O 3.35Å; K384-I406 HydrophobicContact CG-CG2 3.7Å; K384-D407 WeakPolarHBondContact CE-O 3.1Å; K384-D407 PolarHBondContact NZ-O 3.02Å; K384-L409 WeakPolarHBondContact CE-O 3.32Å; K384-L409 PolarHBondContact NZ-O 3.44Å; K384-G410 PolarHBondContact NZ-O 3.1Å; K384-I411 PolarHBondContact NZ-O 3.46Å |
| 385 | G | 97.2 | Very high | 97 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 35.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G381 V382 D387 | G381-G385 PolarHBondContact O-N 3.04Å; V382-G385 PolarHBondContact O-N 3.17Å; G385-D387 PolarHBondContact O-N 2.78Å |
| 386 | L | 97.4 | Very high | 96.7 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -63.6 | -21.8 | 179.6 | -60.4 | -178.1 | 0 | 0 | 0 | 113.2 | G381 K384 I411 L517 | G381-L386 PolarHBondContact O-N 3.18Å; K384-L386 HydrophobicContact CB-CD2 3.98Å; K384-L386 HydrophobicContact CB-CG 3.85Å; K384-L386 HydrophobicContact CD-CD1 4.2Å; K384-L386 HydrophobicContact CD-CD2 4.01Å; K384-L386 HydrophobicContact CD-CG 4.11Å; L386-I411 HydrophobicContact CD1-CD1 4.12Å; L386-I411 HydrophobicContact CD1-CG1 3.53Å; L386-I411 WeakPolarHBondContact CD1-O 3.48Å; L386-L517 HydrophobicContact CB-CD1 4.14Å; L386-L517 HydrophobicContact CB-CD2 4.21Å |
| 387 | D | 96.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -131.7 | 130 | 172.8 | -166 | -51.6 | 0 | 0 | 0 | 110 | G385 R389 S390 A391 L414 P514 L517 | G385-D387 PolarHBondContact O-N 2.78Å; D387-R389 PolarHBondContact O-N 3.25Å; D387-R389 WeakPolarHBondContact OD1-CB 3.44Å; D387-R389 VanDerWaalsContact OD1-CG 3.31Å; D387-R389 WeakPolarHBondContact OD1-CG 3.37Å; D387-R389 IonicContact OD1-CZ 3.39Å; D387-R389 PolarHBondContact OD1-N 3.21Å; D387-R389 IonicContact OD1-NE 2.68Å; D387-R389 PolarHBondContact OD1-NE 2.99Å; D387-R389 IonicContact OD2-CZ 3.69Å; D387-R389 IonicContact OD2-NE 3.99Å; D387-R389 PolarHBondContact OD2-NE 3.21Å; D387-R389 VanDerWaalsContact OD2-NE 3.15Å; D387-R389 IonicContact OD2-NH2 3.33Å; D387-R389 PolarHBondContact OD2-NH2 3.36Å; D387-S390 PolarHBondContact O-N 3.4Å; D387-S390 PolarHBondContact O-OG 2.94Å; D387-A391 PolarHBondContact O-N 3.28Å; D387-L414 HydrophobicContact CB-CD1 4.33Å; D387-P514 HydrophobicContact CB-CB 4.15Å; D387-L517 HydrophobicContact CB-CD1 4.29Å; D387-L517 HydrophobicContact CB-CD2 3.99Å |
| 388 | R | 94.6 | Very high | 96.5 | Very high | 219 Ų | 219 | 40.4 Ų | 40.4 | 83% | 0.826 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.7 | -179.8 | -66.9 | -176.8 | 178.9 | -178.2 | 0 | 112.3 | R301 S390 | R301-R388 VanDerWaalsContact CZ-O 3.32Å; R301-R388 PolarHBondContact NH1-O 2.84Å; R301-R388 PolarHBondContact NH2-O 2.85Å; R388-S390 PolarHBondContact O-N 2.94Å |
| 389 | R | 92.7 | Very high | 96.3 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.8 | -179.2 | -62.8 | 173.6 | -68.4 | 171.7 | -0.4 | 113.3 | R301 L359 D387 P514 | R301-R389 PolarHBondContact NH1-O 2.89Å; L359-R389 HydrophobicContact CD1-CB 4.08Å; L359-R389 HydrophobicContact CD1-CG 4.41Å; L359-R389 WeakPolarHBondContact CD1-O 3.33Å; D387-R389 PolarHBondContact O-N 3.25Å; D387-R389 WeakPolarHBondContact OD1-CB 3.44Å; D387-R389 VanDerWaalsContact OD1-CG 3.31Å; D387-R389 WeakPolarHBondContact OD1-CG 3.37Å; D387-R389 IonicContact OD1-CZ 3.39Å; D387-R389 PolarHBondContact OD1-N 3.21Å; D387-R389 IonicContact OD1-NE 2.68Å; D387-R389 PolarHBondContact OD1-NE 2.99Å; D387-R389 IonicContact OD2-CZ 3.69Å; D387-R389 IonicContact OD2-NE 3.99Å; D387-R389 PolarHBondContact OD2-NE 3.21Å; D387-R389 VanDerWaalsContact OD2-NE 3.15Å; D387-R389 IonicContact OD2-NH2 3.33Å; D387-R389 PolarHBondContact OD2-NH2 3.36Å; R389-P514 HydrophobicContact CB-CB 3.99Å |
| 390 | S | 95.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122 | -14.3 | -179.8 | 61 | 0 | 0 | 0 | 0 | 114.2 | V382 D387 R388 P514 | V382-S390 WeakPolarHBondContact CG1-O 3.49Å; D387-S390 PolarHBondContact O-N 3.4Å; D387-S390 PolarHBondContact O-OG 2.94Å; R388-S390 PolarHBondContact O-N 2.94Å; S390-P514 WeakPolarHBondContact CB-O 3.46Å; S390-P514 PolarHBondContact OG-O 2.73Å |
| 391 | A | 96.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -48.9 | 137.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R301 D387 | R301-A391 VanDerWaalsContact CZ-O 3.27Å; R301-A391 PolarHBondContact NH1-O 2.94Å; D387-A391 PolarHBondContact O-N 3.28Å | ||
| 392 | I | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | trans | -116.5 | 129.4 | 179.3 | -52 | -178.6 | 0 | 0 | 0 | 109.6 | A300 V303 V378 V382 F394 | A300-I392 HydrophobicContact CB-CD1 4.32Å; V303-I392 HydrophobicContact CG2-CG2 3.66Å; V378-I392 HydrophobicContact CG1-CD1 4.24Å; V378-I392 HydrophobicContact CG2-CD1 3.93Å; V382-I392 HydrophobicContact CG1-CD1 4.13Å; V382-I392 HydrophobicContact CG1-CG1 4.09Å; I392-F394 HydrophobicContact CB-CE2 4.26Å; I392-F394 HydrophobicContact CG2-CE2 3.97Å; I392-F394 HydrophobicContact CG2-CZ 4.04Å | ||
| 393 | H | 96.5 | Very high | 96.2 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.1 | 176.3 | -60.2 | -78.2 | 0 | 0 | 0 | 110.7 | R301 H302 V303 | R301-H393 PolarHBondContact O-N 3.34Å; H302-H393 CarbonylContact C-O 3.58Å; H302-H393 VanDerWaalsContact CA-O 3.31Å; H302-H393 WeakPolarHBondContact CA-O 3.39Å; V303-H393 PolarHBondContact N-O 3.4Å |
| 394 | F | 97.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 137.1 | 179.6 | -66.8 | -92.6 | 0 | 0 | 0 | 110.4 | V303 I376 L383 I392 P396 C397 L398 L547 | V303-F394 HydrophobicContact CB-CD1 3.78Å; V303-F394 HydrophobicContact CB-CE1 3.96Å; V303-F394 HydrophobicContact CG1-CD1 3.99Å; V303-F394 HydrophobicContact CG1-CE1 4.09Å; V303-F394 HydrophobicContact CG2-CD1 4.35Å; V303-F394 HydrophobicContact CG2-CE1 4.06Å; V303-F394 CarbonylContact O-C 3.5Å; V303-F394 WeakPolarHBondContact O-CA 3.48Å; I376-F394 HydrophobicContact CD1-CE1 3.58Å; I376-F394 HydrophobicContact CD1-CZ 3.98Å; L383-F394 HydrophobicContact CD2-CE2 3.98Å; L383-F394 HydrophobicContact CD2-CZ 3.9Å; I392-F394 HydrophobicContact CB-CE2 4.26Å; I392-F394 HydrophobicContact CG2-CE2 3.97Å; I392-F394 HydrophobicContact CG2-CZ 4.04Å; F394-P396 CarbonylContact C-O 3.58Å; F394-P396 CarbonylContact O-C 3.59Å; F394-P396 VanDerWaalsContact O-C 3.26Å; F394-C397 WeakPolarHBondContact O-CA 3.44Å; F394-C397 PolarHBondContact O-N 2.82Å; F394-L398 HydrophobicContact CB-CD2 4.16Å; F394-L398 HydrophobicContact CB-CG 4.07Å; F394-L398 HydrophobicContact CD1-CD2 3.7Å; F394-L398 HydrophobicContact CD1-CG 4.23Å; F394-L398 HydrophobicContact CD2-CD1 3.84Å; F394-L398 HydrophobicContact CD2-CD2 4.18Å; F394-L398 HydrophobicContact CD2-CG 3.78Å; F394-L398 HydrophobicContact CE1-CD2 4.13Å; F394-L398 HydrophobicContact CE2-CD1 3.88Å; F394-L398 HydrophobicContact CE2-CG 4.29Å; F394-L398 HydrophobicContact CG-CD1 4.26Å; F394-L398 HydrophobicContact CG-CD2 3.73Å; F394-L398 HydrophobicContact CG-CG 3.74Å; F394-L398 HydrophobicContact CZ-CD1 4.34Å; F394-L547 HydrophobicContact CD1-CD1 4.15Å; F394-L547 HydrophobicContact CE1-CD1 4.31Å |
| 395 | H | 92.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 107.5 | -178.6 | -58.6 | -84.7 | 0 | 0 | 0 | 109.1 | H302 V303 Y304 W305 | H302-H395 AromaticContact ND1-CD2 3.9Å; H302-H395 AromaticContact ND1-NE2 3.16Å; H302-H395 PolarHBondContact ND1-NE2 2.52Å; H302-H395 VanDerWaalsContact ND1-NE2 3.16Å; V303-H395 PolarHBondContact O-N 2.82Å; Y304-H395 CarbonylContact C-O 3.46Å; Y304-H395 WeakPolarHBondContact CA-O 3.13Å; Y304-H395 HydrophobicContact CD1-CB 3.54Å; Y304-H395 AromaticContact CD1-CG 3.9Å; Y304-H395 HydrophobicContact CE1-CB 3.94Å; Y304-H395 AromaticContact CE1-CD2 3.83Å; Y304-H395 AromaticContact CE1-CG 3.77Å; Y304-H395 HydrophobicContact CG-CB 4.3Å; W305-H395 PolarHBondContact N-O 3.24Å |
| 396 | P | 93 | Very high | 96.1 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | S | Bend | cis | -65.8 | 166.8 | -4.6 | 31.3 | -35.5 | 0 | 0 | 0 | 112.3 | W305 N307 F394 | W305-P396 HydrophobicContact CZ2-CG 4.05Å; W305-P396 PolarHBondContact NE1-O 2.82Å; W305-P396 WeakPolarHBondContact O-CD 3.45Å; N307-P396 HydrophobicContact CB-CG 4.15Å; F394-P396 CarbonylContact C-O 3.58Å; F394-P396 CarbonylContact O-C 3.59Å; F394-P396 VanDerWaalsContact O-C 3.26Å |
| 397 | C | 95.3 | Very high | 96 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 73% | 0.73 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 148.8 | 176.1 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | F394 | F394-C397 WeakPolarHBondContact O-CA 3.44Å; F394-C397 PolarHBondContact O-N 2.82Å |
| 398 | L | 97 | Very high | 95.9 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.3 | 173.2 | -62 | 179.4 | 0 | 0 | 0 | 110.8 | F394 K402 I406 L539 F549 | F394-L398 HydrophobicContact CB-CD2 4.16Å; F394-L398 HydrophobicContact CB-CG 4.07Å; F394-L398 HydrophobicContact CD1-CD2 3.7Å; F394-L398 HydrophobicContact CD1-CG 4.23Å; F394-L398 HydrophobicContact CD2-CD1 3.84Å; F394-L398 HydrophobicContact CD2-CD2 4.18Å; F394-L398 HydrophobicContact CD2-CG 3.78Å; F394-L398 HydrophobicContact CE1-CD2 4.13Å; F394-L398 HydrophobicContact CE2-CD1 3.88Å; F394-L398 HydrophobicContact CE2-CG 4.29Å; F394-L398 HydrophobicContact CG-CD1 4.26Å; F394-L398 HydrophobicContact CG-CD2 3.73Å; F394-L398 HydrophobicContact CG-CG 3.74Å; F394-L398 HydrophobicContact CZ-CD1 4.34Å; L398-K402 HydrophobicContact CB-CD 4.5Å; L398-K402 HydrophobicContact CD1-CD 4.19Å; L398-K402 HydrophobicContact CD2-CD 4.33Å; L398-I406 HydrophobicContact CD1-CD1 3.69Å; L398-L539 HydrophobicContact CD2-CD1 3.72Å; L398-F549 HydrophobicContact CD2-CZ 4.14Å |
| 399 | P | 96.2 | Very high | 95.9 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 143.8 | 178.2 | -27.2 | 34.6 | 0 | 0 | 0 | 113 | R401 K402 R403 L539 | P399-R401 PolarHBondContact O-N 3.27Å; P399-R401 VanDerWaalsContact O-N 3.1Å; P399-K402 WeakPolarHBondContact O-CA 3.36Å; P399-K402 WeakPolarHBondContact O-CB 3.48Å; P399-K402 PolarHBondContact O-N 2.85Å; P399-R403 PolarHBondContact O-N 2.85Å; P399-L539 HydrophobicContact CG-CD1 4.44Å; P399-L539 HydrophobicContact CG-CD2 3.88Å |
| 400 | S | 97 | Very high | 95.9 | Very high | 104 Ų | 104 | 46 Ų | 46 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -53.4 | -38.5 | -173.4 | -49.9 | 0 | 0 | 0 | 0 | 113.5 | K402 R403 L404 | S400-K402 PolarHBondContact O-N 3.44Å; S400-R403 PolarHBondContact O-N 2.59Å; S400-L404 WeakPolarHBondContact O-CB 3.39Å; S400-L404 PolarHBondContact O-N 2.92Å |
| 401 | R | 96.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 177 | 175.1 | 60.3 | -168 | 109.1 | -16.4 | 112.8 | P399 A405 A530 D531 A534 | P399-R401 PolarHBondContact O-N 3.27Å; P399-R401 VanDerWaalsContact O-N 3.1Å; R401-A405 PolarHBondContact O-N 2.75Å; R401-A530 PolarHBondContact NH2-O 3.45Å; R401-D531 IonicContact CZ-OD1 3.53Å; R401-D531 VanDerWaalsContact CZ-OD1 3.3Å; R401-D531 IonicContact NH1-OD1 3.15Å; R401-D531 PolarHBondContact NH1-OD1 3.3Å; R401-D531 IonicContact NH2-OD1 3.44Å; R401-D531 PolarHBondContact NH2-OD1 3.37Å; R401-A534 HydrophobicContact CG-CB 3.96Å |
| 402 | K | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.6 | -41.7 | 176.7 | -178.3 | 179.5 | -65.3 | -62.7 | 0 | 110.7 | L398 P399 S400 L404 A405 I406 A534 Y535 S537 L539 F549 | L398-K402 HydrophobicContact CB-CD 4.5Å; L398-K402 HydrophobicContact CD1-CD 4.19Å; L398-K402 HydrophobicContact CD2-CD 4.33Å; P399-K402 WeakPolarHBondContact O-CA 3.36Å; P399-K402 WeakPolarHBondContact O-CB 3.48Å; P399-K402 PolarHBondContact O-N 2.85Å; S400-K402 PolarHBondContact O-N 3.44Å; K402-L404 PolarHBondContact O-N 3.38Å; K402-A405 WeakPolarHBondContact O-CB 3.49Å; K402-A405 PolarHBondContact O-N 3.06Å; K402-I406 HydrophobicContact CD-CD1 4.5Å; K402-I406 HydrophobicContact CG-CD1 3.97Å; K402-I406 WeakPolarHBondContact O-CG1 2.96Å; K402-I406 PolarHBondContact O-N 3.48Å; K402-A534 PolarHBondContact NZ-O 3.11Å; K402-Y535 PolarHBondContact NZ-O 3.46Å; K402-S537 WeakPolarHBondContact CE-O 3.47Å; K402-S537 PolarHBondContact NZ-O 3.19Å; K402-S537 PolarHBondContact NZ-OG 2.91Å; K402-S537 VanDerWaalsContact NZ-OG 3.07Å; K402-L539 HydrophobicContact CD-CD1 4.03Å; K402-F549 HydrophobicContact CD-CE1 4.38Å; K402-F549 HydrophobicContact CD-CE2 3.92Å; K402-F549 HydrophobicContact CD-CZ 3.83Å |
| 403 | R | 97.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.1 | -50.1 | 174.3 | 178.6 | 54.3 | 60.6 | -169 | 2.8 | 111.3 | L383 P399 S400 A405 I406 D407 | L383-R403 PolarHBondContact O-NH1 3.44Å; P399-R403 PolarHBondContact O-N 2.85Å; S400-R403 PolarHBondContact O-N 2.59Å; R403-A405 VanDerWaalsContact C-N 3.31Å; R403-A405 PolarHBondContact O-N 3.41Å; R403-I406 WeakPolarHBondContact O-CB 3.34Å; R403-I406 PolarHBondContact O-N 3.44Å; R403-I406 VanDerWaalsContact O-N 3.14Å; R403-D407 PolarHBondContact O-N 3.33Å |
| 404 | L | 96.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 54 Ų | 54 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 176.6 | -177.6 | 64.6 | 0 | 0 | 0 | 113 | S400 K402 D407 R408 | S400-L404 WeakPolarHBondContact O-CB 3.39Å; S400-L404 PolarHBondContact O-N 2.92Å; K402-L404 PolarHBondContact O-N 3.38Å; L404-D407 PolarHBondContact O-N 2.95Å; L404-R408 WeakPolarHBondContact O-CG 3.3Å; L404-R408 PolarHBondContact O-N 3.49Å |
| 405 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R401 K402 R403 D407 R408 L409 D531 A534 | R401-A405 PolarHBondContact O-N 2.75Å; K402-A405 WeakPolarHBondContact O-CB 3.49Å; K402-A405 PolarHBondContact O-N 3.06Å; R403-A405 VanDerWaalsContact C-N 3.31Å; R403-A405 PolarHBondContact O-N 3.41Å; A405-D407 VanDerWaalsContact C-N 3.31Å; A405-D407 PolarHBondContact O-N 3.42Å; A405-R408 PolarHBondContact O-N 3.18Å; A405-L409 WeakPolarHBondContact O-CB 3.41Å; A405-L409 WeakPolarHBondContact O-CD1 3.43Å; A405-L409 VanDerWaalsContact O-CG 3.29Å; A405-L409 WeakPolarHBondContact O-CG 3.45Å; A405-L409 PolarHBondContact O-N 3.02Å; A405-D531 HydrophobicContact CB-CB 4Å; A405-D531 WeakPolarHBondContact CB-O 3.46Å; A405-A534 HydrophobicContact CB-CB 3.99Å |
| 406 | I | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 176.7 | -72.7 | 165.4 | 0 | 0 | 0 | 109.6 | V380 L383 K384 L398 K402 R403 R408 L409 Y535 | V380-I406 HydrophobicContact CG2-CB 4.4Å; V380-I406 HydrophobicContact CG2-CG2 4.02Å; L383-I406 HydrophobicContact CB-CD1 4.22Å; L383-I406 HydrophobicContact CB-CG2 3.88Å; L383-I406 HydrophobicContact CD1-CD1 4.29Å; K384-I406 HydrophobicContact CB-CG2 4.46Å; K384-I406 WeakPolarHBondContact CE-O 3.35Å; K384-I406 HydrophobicContact CG-CG2 3.7Å; L398-I406 HydrophobicContact CD1-CD1 3.69Å; K402-I406 HydrophobicContact CD-CD1 4.5Å; K402-I406 HydrophobicContact CG-CD1 3.97Å; K402-I406 WeakPolarHBondContact O-CG1 2.96Å; K402-I406 PolarHBondContact O-N 3.48Å; R403-I406 WeakPolarHBondContact O-CB 3.34Å; R403-I406 PolarHBondContact O-N 3.44Å; R403-I406 VanDerWaalsContact O-N 3.14Å; I406-R408 VanDerWaalsContact C-N 3.28Å; I406-R408 PolarHBondContact O-N 2.72Å; I406-L409 PolarHBondContact O-N 3.48Å; I406-Y535 HydrophobicContact CD1-CD2 4.38Å; I406-Y535 HydrophobicContact CG1-CD2 3.83Å; I406-Y535 HydrophobicContact CG1-CE2 4.18Å |
| 407 | D | 95.5 | Very high | 95.8 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -32.4 | -177.1 | -62 | -20.9 | 0 | 0 | 0 | 112.9 | K384 R403 L404 A405 | K384-D407 WeakPolarHBondContact CE-O 3.1Å; K384-D407 PolarHBondContact NZ-O 3.02Å; R403-D407 PolarHBondContact O-N 3.33Å; L404-D407 PolarHBondContact O-N 2.95Å; A405-D407 VanDerWaalsContact C-N 3.31Å; A405-D407 PolarHBondContact O-N 3.42Å |
| 408 | R | 94.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -84.1 | -9.5 | 179.1 | -71.5 | 177.5 | 175.1 | 179.4 | -0.4 | 115.3 | L404 A405 I406 E524 C527 | L404-R408 WeakPolarHBondContact O-CG 3.3Å; L404-R408 PolarHBondContact O-N 3.49Å; A405-R408 PolarHBondContact O-N 3.18Å; I406-R408 VanDerWaalsContact C-N 3.28Å; I406-R408 PolarHBondContact O-N 2.72Å; R408-E524 PolarHBondContact O-N 2.97Å; R408-C527 HydrophobicContact CB-CB 4.45Å |
| 409 | L | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 138.9 | -174.4 | -76.2 | 170.2 | 0 | 0 | 0 | 112.3 | V380 K384 A405 I406 T521 C527 R532 Y535 | V380-L409 WeakPolarHBondContact CG1-O 3.2Å; V380-L409 HydrophobicContact CG2-CB 3.97Å; K384-L409 WeakPolarHBondContact CE-O 3.32Å; K384-L409 PolarHBondContact NZ-O 3.44Å; A405-L409 WeakPolarHBondContact O-CB 3.41Å; A405-L409 WeakPolarHBondContact O-CD1 3.43Å; A405-L409 VanDerWaalsContact O-CG 3.29Å; A405-L409 WeakPolarHBondContact O-CG 3.45Å; A405-L409 PolarHBondContact O-N 3.02Å; I406-L409 PolarHBondContact O-N 3.48Å; L409-T521 HydrophobicContact CB-CG2 3.96Å; L409-T521 HydrophobicContact CD2-CG2 4.2Å; L409-C527 WeakPolarHBondContact CD2-SG 3.26Å; L409-R532 HydrophobicContact CD1-CG 4.3Å; L409-R532 HydrophobicContact CD2-CG 3.97Å; L409-Y535 HydrophobicContact CD1-CD1 3.81Å; L409-Y535 HydrophobicContact CD1-CG 4.18Å |
| 410 | G | 93.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 74.8 | -173.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K384 A522 | K384-G410 PolarHBondContact NZ-O 3.1Å; G410-A522 WeakPolarHBondContact CA-O 2.88Å; G410-A522 PolarHBondContact N-O 2.89Å |
| 411 | I | 95.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -61.2 | 146.6 | -173.9 | 72.2 | 179.9 | 0 | 0 | 0 | 112 | K384 L386 K413 A416 L517 | K384-I411 PolarHBondContact NZ-O 3.46Å; L386-I411 HydrophobicContact CD1-CD1 4.12Å; L386-I411 HydrophobicContact CD1-CG1 3.53Å; L386-I411 WeakPolarHBondContact CD1-O 3.48Å; I411-K413 WeakPolarHBondContact CD1-O 3.46Å; I411-A416 HydrophobicContact CB-CB 4.16Å; I411-L517 VanDerWaalsContact CD1-C 3.45Å; I411-L517 VanDerWaalsContact CD1-O 3.24Å; I411-L517 WeakPolarHBondContact CD1-O 3.28Å; I411-L517 VanDerWaalsContact CG1-O 3.3Å; I411-L517 WeakPolarHBondContact CG1-O 3.49Å | ||
| 412 | P | 95.1 | Very high | 95.9 | Very high | 60 Ų | 60 | 33 Ų | 33 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -80.6 | -23.7 | -176.2 | 29.6 | -35.4 | 0 | 0 | 0 | 113.4 | R210 A416 | R210-P412 VanDerWaalsContact CZ-CD 3.44Å; P412-A416 HydrophobicContact CG-CB 4.18Å |
| 413 | K | 95.6 | Very high | 96 | Very high | 144 Ų | 144 | 32.8 Ų | 32.8 | 63% | 0.626 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -153.3 | 160.5 | -179 | 61.9 | -179.8 | -179.5 | 179.3 | 0 | 110.8 | I411 G415 A416 | I411-K413 WeakPolarHBondContact CD1-O 3.46Å; K413-G415 PolarHBondContact O-N 3.49Å; K413-A416 HydrophobicContact CG-CB 3.93Å; K413-A416 VanDerWaalsContact O-CB 3.27Å; K413-A416 WeakPolarHBondContact O-CB 3.18Å; K413-A416 PolarHBondContact O-N 3.41Å |
| 414 | L | 95.1 | Very high | 96 | Very high | 81 Ų | 81 | 29.5 Ų | 29.5 | 42% | 0.424 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 135.5 | 172.6 | -172.8 | 76.5 | 0 | 0 | 0 | 110.6 | D387 A416 L517 | D387-L414 HydrophobicContact CB-CD1 4.33Å; L414-A416 PolarHBondContact O-N 3Å; L414-L517 HydrophobicContact CD1-CD2 3.53Å |
| 415 | G | 95.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 11% | 0.113 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -0.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K413 T474 S511 | K413-G415 PolarHBondContact O-N 3.49Å; G415-T474 WeakPolarHBondContact O-CG2 3.44Å; G415-T474 PolarHBondContact O-OG1 3.14Å; G415-S511 PolarHBondContact N-O 3.35Å |
| 416 | A | 95.9 | Very high | 96 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | trans | -60 | 156.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I411 P412 K413 L414 T418 S511 | I411-A416 HydrophobicContact CB-CB 4.16Å; P412-A416 HydrophobicContact CG-CB 4.18Å; K413-A416 HydrophobicContact CG-CB 3.93Å; K413-A416 VanDerWaalsContact O-CB 3.27Å; K413-A416 WeakPolarHBondContact O-CB 3.18Å; K413-A416 PolarHBondContact O-N 3.41Å; L414-A416 PolarHBondContact O-N 3Å; A416-T418 PolarHBondContact O-N 3.3Å; A416-S511 WeakPolarHBondContact O-CB 3.44Å; A416-S511 PolarHBondContact O-OG 2.95Å | ||
| 417 | E | 95.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 21% | 0.21 | 15% | 0.145 | C | C | . | . | trans | -65.9 | 136 | -168 | -52.9 | 101.7 | 128 | 0 | 0 | 112.1 | P207 H209 R210 G467 R472 | P207-E417 HydrophobicContact CG-CB 4.31Å; H209-E417 IonicContact CE1-OE1 3.88Å; R210-E417 PolarHBondContact NH1-O 2.81Å; E417-G467 WeakPolarHBondContact CB-O 3.38Å; E417-R472 IonicContact OE1-CZ 2.66Å; E417-R472 IonicContact OE1-NH1 2.76Å; E417-R472 IonicContact OE1-NH2 2.79Å; E417-R472 PolarHBondContact OE1-NH2 2.99Å | ||
| 418 | T | 95.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | trans | -155.3 | 170.1 | 178.4 | -161.8 | 0 | 0 | 0 | 0 | 108.4 | A416 N420 W510 A519 | A416-T418 PolarHBondContact O-N 3.3Å; T418-N420 PolarHBondContact O-ND2 3.35Å; T418-W510 HydrophobicContact CG2-CB 4.22Å; T418-A519 HydrophobicContact CG2-CB 4.26Å; T418-A519 PolarHBondContact OG1-N 3.37Å; T418-A519 VanDerWaalsContact OG1-N 3.11Å | ||
| 419 | H | 94.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | trans | -68.4 | 134.7 | 176.8 | 178.6 | -106.9 | 0 | 0 | 0 | 111.5 | Y204 H464 V465 A519 Y520 | Y204-H419 AromaticContact CZ-CD2 3.87Å; Y204-H419 AromaticContact CZ-NE2 3.88Å; Y204-H419 PolarHBondContact OH-NE2 3.39Å; H419-H464 AromaticContact CE1-ND1 3.27Å; H419-H464 PolarHBondContact CE1-ND1 3.05Å; H419-H464 VanDerWaalsContact CE1-ND1 3.27Å; H419-H464 WeakPolarHBondContact NE2-CB 3.45Å; H419-H464 AromaticContact NE2-CG 3.54Å; H419-H464 AromaticContact NE2-ND1 2.97Å; H419-H464 PolarHBondContact NE2-ND1 3.04Å; H419-V465 CarbonylContact C-O 3.56Å; H419-V465 VanDerWaalsContact CA-O 3.3Å; H419-V465 WeakPolarHBondContact CA-O 3.35Å; H419-A519 HydrophobicContact CB-CB 4.24Å; H419-A519 WeakPolarHBondContact O-CB 3.43Å; H419-Y520 HydrophobicContact CB-CD2 4.07Å; H419-Y520 HydrophobicContact CB-CE2 3.71Å; H419-Y520 AromaticContact CG-CE2 3.97Å; H419-Y520 AromaticContact ND1-CE2 3.76Å | ||
| 420 | N | 97 | Very high | 95.7 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 169.1 | 173.6 | -74.7 | -68.7 | 0 | 0 | 0 | 110 | T418 V465 I473 T508 R509 W510 | T418-N420 PolarHBondContact O-ND2 3.35Å; N420-V465 PolarHBondContact N-O 2.97Å; N420-V465 PolarHBondContact O-N 3.35Å; N420-I473 HydrophobicContact CB-CD1 3.58Å; N420-T508 VanDerWaalsContact CA-OG1 3.29Å; N420-T508 WeakPolarHBondContact CA-OG1 3.29Å; N420-T508 WeakPolarHBondContact CB-O 3.17Å; N420-T508 VanDerWaalsContact CB-OG1 3.3Å; N420-T508 WeakPolarHBondContact CB-OG1 2.94Å; N420-T508 VanDerWaalsContact OD1-C 3.23Å; N420-T508 PolarHBondContact OD1-O 3.13Å; N420-T508 PolarHBondContact OD1-OG1 3.5Å; N420-T508 VanDerWaalsContact OD1-OG1 3.09Å; N420-R509 PolarHBondContact OD1-N 3.03Å; N420-W510 PolarHBondContact OD1-N 2.89Å |
| 421 | K | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.6 | 174.6 | -61.7 | -175.1 | -177.1 | -174.5 | 0 | 110.7 | D64 L65 G66 S68 I423 V462 A463 T508 | D64-K421 PolarHBondContact O-NZ 3.29Å; L65-K421 WeakPolarHBondContact O-CD 3.31Å; G66-K421 WeakPolarHBondContact O-CE 3.21Å; G66-K421 PolarHBondContact O-NZ 2.88Å; S68-K421 PolarHBondContact OG-NZ 2.93Å; K421-I423 HydrophobicContact CB-CD1 3.98Å; K421-V462 HydrophobicContact CB-CG1 4.22Å; K421-V462 HydrophobicContact CD-CG1 3.75Å; K421-V462 HydrophobicContact CG-CG1 4.22Å; K421-A463 CarbonylContact C-O 3.52Å; K421-A463 VanDerWaalsContact CA-O 3.31Å; K421-A463 WeakPolarHBondContact CA-O 3.23Å; K421-T508 HydrophobicContact CB-CG2 4.19Å; K421-T508 PolarHBondContact N-OG1 2.93Å; K421-T508 PolarHBondContact O-N 3.41Å |
| 422 | V | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.2 | 165.4 | -175.6 | 0 | 0 | 0 | 0 | 107.5 | L424 A463 V465 V481 V482 L485 H506 V507 | V422-L424 HydrophobicContact CG1-CD2 4.24Å; V422-A463 HydrophobicContact CB-CB 4.29Å; V422-A463 PolarHBondContact N-O 3.33Å; V422-A463 PolarHBondContact O-N 3.48Å; V422-V465 HydrophobicContact CG2-CG2 4.1Å; V422-V481 HydrophobicContact CG2-CG1 3.8Å; V422-V482 HydrophobicContact CG1-CG2 4.23Å; V422-L485 HydrophobicContact CB-CD2 3.89Å; V422-L485 HydrophobicContact CG1-CD2 3.52Å; V422-H506 CarbonylContact C-O 3.57Å; V422-H506 WeakPolarHBondContact CA-O 3.24Å; V422-V507 HydrophobicContact CG1-CG2 4.14Å; V422-V507 HydrophobicContact CG2-CG1 4.33Å; V422-V507 HydrophobicContact CG2-CG2 4.26Å |
| 423 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.9 | 178.8 | -60.5 | 83.4 | 0 | 0 | 0 | 107.3 | L50 V63 L65 K421 V460 L461 V462 Y504 T505 H506 | L50-I423 HydrophobicContact CD2-CG2 4.5Å; V63-I423 HydrophobicContact CG1-CG1 4.44Å; V63-I423 HydrophobicContact CG1-CG2 4.33Å; V63-I423 HydrophobicContact CG2-CG1 4.04Å; V63-I423 HydrophobicContact CG2-CG2 4.29Å; L65-I423 HydrophobicContact CD2-CD1 3.56Å; L65-I423 HydrophobicContact CD2-CG1 4.34Å; K421-I423 HydrophobicContact CB-CD1 3.98Å; I423-V460 HydrophobicContact CG2-CG1 4.31Å; I423-L461 WeakPolarHBondContact CA-O 3.33Å; I423-V462 HydrophobicContact CG1-CG2 4.16Å; I423-Y504 HydrophobicContact CG2-CE1 4.34Å; I423-T505 CarbonylContact O-C 3.57Å; I423-T505 VanDerWaalsContact O-CA 3.23Å; I423-T505 WeakPolarHBondContact O-CA 3.14Å; I423-H506 HydrophobicContact CB-CB 4.24Å; I423-H506 HydrophobicContact CD1-CB 4.14Å; I423-H506 PolarHBondContact N-O 2.92Å; I423-H506 PolarHBondContact O-N 3.49Å |
| 424 | L | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.2 | 170.8 | -56.2 | -179.6 | 0 | 0 | 0 | 108.6 | V422 F426 V460 L461 V482 L485 L486 L489 P502 T505 | V422-L424 HydrophobicContact CG1-CD2 4.24Å; L424-F426 HydrophobicContact CB-CD2 4.39Å; L424-F426 HydrophobicContact CB-CE2 3.66Å; L424-F426 HydrophobicContact CB-CZ 4.18Å; L424-F426 HydrophobicContact CD1-CE2 4.02Å; L424-F426 HydrophobicContact CD1-CZ 3.97Å; L424-V460 WeakPolarHBondContact O-CA 3.37Å; L424-L461 PolarHBondContact N-O 2.96Å; L424-L461 PolarHBondContact O-N 3.44Å; L424-V482 HydrophobicContact CD2-CG1 4.03Å; L424-V482 HydrophobicContact CD2-CG2 4.33Å; L424-L485 HydrophobicContact CD1-CD2 3.49Å; L424-L485 VanDerWaalsContact CD1-CD2 3.49Å; L424-L485 HydrophobicContact CD1-CG 3.84Å; L424-L485 HydrophobicContact CD2-CD2 4.18Å; L424-L485 HydrophobicContact CG-CD2 3.81Å; L424-L486 HydrophobicContact CD1-CD2 4.21Å; L424-L489 HydrophobicContact CD1-CD1 3.85Å; L424-P502 HydrophobicContact CD2-CG 4.14Å; L424-T505 HydrophobicContact CD2-CG2 3.76Å |
| 425 | M | 97 | Very high | 95.9 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.4 | 171.7 | 179.2 | 175.1 | -179.4 | 0 | 0 | 109 | L50 P51 V53 G459 V460 P502 I503 Y504 | L50-M425 HydrophobicContact CB-SD 3.99Å; L50-M425 HydrophobicContact CD1-SD 4.4Å; L50-M425 HydrophobicContact CD2-SD 4.24Å; L50-M425 HydrophobicContact CG-SD 4.46Å; P51-M425 HydrophobicContact CG-SD 3.88Å; P51-M425 VanDerWaalsContact O-CE 3.22Å; P51-M425 WeakPolarHBondContact O-CE 3.44Å; V53-M425 HydrophobicContact CG2-CE 3.53Å; M425-G459 WeakPolarHBondContact CA-O 3.5Å; M425-V460 HydrophobicContact CB-CG2 4.34Å; M425-V460 HydrophobicContact CG-CG2 4.04Å; M425-V460 HydrophobicContact SD-CG2 4.41Å; M425-P502 CarbonylContact O-C 3.38Å; M425-P502 VanDerWaalsContact O-CA 3.32Å; M425-P502 WeakPolarHBondContact O-CA 3.35Å; M425-I503 PolarHBondContact O-N 2.91Å; M425-Y504 HydrophobicContact CB-CD1 4.44Å; M425-Y504 PolarHBondContact N-O 2.73Å; M425-Y504 PolarHBondContact O-N 2.83Å |
| 426 | F | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -107.3 | 167 | 176.6 | -59.8 | -89.8 | 0 | 0 | 0 | 110.2 | L424 P428 F432 W433 G459 L486 P500 P502 | L424-F426 HydrophobicContact CB-CD2 4.39Å; L424-F426 HydrophobicContact CB-CE2 3.66Å; L424-F426 HydrophobicContact CB-CZ 4.18Å; L424-F426 HydrophobicContact CD1-CE2 4.02Å; L424-F426 HydrophobicContact CD1-CZ 3.97Å; F426-P428 WeakPolarHBondContact O-CD 3.29Å; F426-F432 HydrophobicContact CD1-CE1 4.21Å; F426-F432 HydrophobicContact CD2-CE1 4.46Å; F426-F432 AromaticContact CE1-CE1 3.88Å; F426-F432 HydrophobicContact CE1-CE1 3.88Å; F426-F432 HydrophobicContact CE1-CZ 4.49Å; F426-F432 HydrophobicContact CE2-CE1 4.15Å; F426-F432 HydrophobicContact CE2-CZ 4.36Å; F426-F432 HydrophobicContact CG-CE1 4.47Å; F426-F432 AromaticContact CZ-CE1 3.83Å; F426-F432 HydrophobicContact CZ-CE1 3.83Å; F426-F432 HydrophobicContact CZ-CZ 4.05Å; F426-W433 HydrophobicContact CB-CH2 4.25Å; F426-W433 HydrophobicContact CB-CZ3 4.39Å; F426-W433 AromaticContact CD2-CH2 3.54Å; F426-W433 HydrophobicContact CD2-CH2 3.54Å; F426-W433 AromaticContact CD2-CZ3 3.48Å; F426-W433 HydrophobicContact CD2-CZ3 3.48Å; F426-W433 VanDerWaalsContact CD2-CZ3 3.48Å; F426-W433 HydrophobicContact CE2-CH2 4.25Å; F426-W433 AromaticContact CE2-CZ3 3.89Å; F426-W433 HydrophobicContact CE2-CZ3 3.89Å; F426-W433 HydrophobicContact CG-CH2 4.2Å; F426-W433 HydrophobicContact CG-CZ3 4.04Å; F426-G459 PolarHBondContact N-O 3.41Å; F426-L486 HydrophobicContact CE1-CD2 4.15Å; F426-L486 HydrophobicContact CZ-CD2 3.82Å; F426-P500 HydrophobicContact CD1-CB 4.32Å; F426-P500 HydrophobicContact CD1-CG 3.78Å; F426-P500 HydrophobicContact CE1-CG 4.21Å; F426-P500 VanDerWaalsContact CE1-O 3.27Å; F426-P500 WeakPolarHBondContact CE1-O 3.28Å; F426-P502 HydrophobicContact CD1-CB 4.39Å; F426-P502 HydrophobicContact CD1-CG 4.33Å; F426-P502 HydrophobicContact CE1-CB 4.16Å; F426-P502 HydrophobicContact CE1-CG 3.65Å; F426-P502 HydrophobicContact CZ-CB 4.47Å; F426-P502 HydrophobicContact CZ-CG 3.89Å | ||
| 427 | N | 93.8 | Very high | 95.5 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | trans | -61.9 | 131 | 168.1 | -164.8 | -30.4 | 0 | 0 | 0 | 109 | S429 E430 I503 | N427-S429 VanDerWaalsContact CG-OG 3.25Å; N427-S429 PolarHBondContact O-N 3.32Å; N427-S429 PolarHBondContact OD1-N 2.98Å; N427-S429 PolarHBondContact OD1-OG 3.01Å; N427-S429 VanDerWaalsContact OD1-OG 3.11Å; N427-E430 HydrophobicContact CB-CB 4.22Å; N427-E430 HydrophobicContact CB-CG 3.95Å; N427-E430 WeakPolarHBondContact CB-OE2 3.22Å; N427-E430 PolarHBondContact O-N 3.31Å; N427-I503 HydrophobicContact CB-CD1 3.86Å | ||
| 428 | P | 92.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -55.4 | -22.5 | 176.1 | -29.4 | 36.7 | 0 | 0 | 0 | 114.6 | V53 F426 E430 I431 P458 | V53-P428 HydrophobicContact CG2-CG 4.4Å; F426-P428 WeakPolarHBondContact O-CD 3.29Å; P428-E430 VanDerWaalsContact C-N 3.31Å; P428-I431 WeakPolarHBondContact O-CD1 3.33Å; P428-P458 HydrophobicContact CB-CB 4Å; P428-P458 HydrophobicContact CG-CB 3.89Å |
| 429 | S | 93.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 32.1 Ų | 32.1 | 69% | 0.692 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -78.5 | -10.1 | 173.7 | 62 | 0 | 0 | 0 | 0 | 114.6 | N427 | N427-S429 VanDerWaalsContact CG-OG 3.25Å; N427-S429 PolarHBondContact O-N 3.32Å; N427-S429 PolarHBondContact OD1-N 2.98Å; N427-S429 PolarHBondContact OD1-OG 3.01Å; N427-S429 VanDerWaalsContact OD1-OG 3.11Å |
| 430 | E | 94.7 | Very high | 95.3 | Very high | 91 Ų | 91 | 31.9 Ų | 31.9 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -116 | 19.3 | -173.9 | -59.6 | 178.4 | 137.2 | 0 | 0 | 112 | N427 P428 F432 P500 | N427-E430 HydrophobicContact CB-CB 4.22Å; N427-E430 HydrophobicContact CB-CG 3.95Å; N427-E430 WeakPolarHBondContact CB-OE2 3.22Å; N427-E430 PolarHBondContact O-N 3.31Å; P428-E430 VanDerWaalsContact C-N 3.31Å; E430-F432 PolarHBondContact O-N 3.13Å; E430-P500 HydrophobicContact CB-CB 3.96Å; E430-P500 HydrophobicContact CB-CG 3.94Å; E430-P500 HydrophobicContact CG-CB 4.5Å |
| 431 | I | 96.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | trans | -64.5 | 124.7 | 176.3 | -65 | 170.2 | 0 | 0 | 0 | 109.6 | P428 W433 R435 D453 | P428-I431 WeakPolarHBondContact O-CD1 3.33Å; I431-W433 HydrophobicContact CB-CH2 4.4Å; I431-W433 HydrophobicContact CB-CZ2 4.47Å; I431-W433 HydrophobicContact CG1-CH2 3.96Å; I431-W433 HydrophobicContact CG1-CZ2 4.03Å; I431-W433 HydrophobicContact CG2-CD2 3.78Å; I431-W433 HydrophobicContact CG2-CE3 4.11Å; I431-W433 HydrophobicContact CG2-CG 4.27Å; I431-W433 HydrophobicContact CG2-CH2 4.2Å; I431-W433 HydrophobicContact CG2-CZ2 3.89Å; I431-W433 HydrophobicContact CG2-CZ3 4.3Å; I431-R435 HydrophobicContact CG2-CG 3.72Å; I431-D453 VanDerWaalsContact CD1-OD1 3.3Å; I431-D453 WeakPolarHBondContact CD1-OD1 3.34Å | ||
| 432 | F | 97.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.048 | 17% | 0.166 | C | C | . | . | trans | -116.2 | -1.1 | -175 | 59.9 | -97 | 0 | 0 | 0 | 114.1 | F426 E430 L489 Y493 Q496 L499 P500 | F426-F432 HydrophobicContact CD1-CE1 4.21Å; F426-F432 HydrophobicContact CD2-CE1 4.46Å; F426-F432 AromaticContact CE1-CE1 3.88Å; F426-F432 HydrophobicContact CE1-CE1 3.88Å; F426-F432 HydrophobicContact CE1-CZ 4.49Å; F426-F432 HydrophobicContact CE2-CE1 4.15Å; F426-F432 HydrophobicContact CE2-CZ 4.36Å; F426-F432 HydrophobicContact CG-CE1 4.47Å; F426-F432 AromaticContact CZ-CE1 3.83Å; F426-F432 HydrophobicContact CZ-CE1 3.83Å; F426-F432 HydrophobicContact CZ-CZ 4.05Å; E430-F432 PolarHBondContact O-N 3.13Å; F432-L489 HydrophobicContact CE2-CB 4.19Å; F432-L489 HydrophobicContact CZ-CB 4.41Å; F432-L489 HydrophobicContact CZ-CD1 4.24Å; F432-Y493 AromaticContact CD2-CD2 3.93Å; F432-Y493 HydrophobicContact CD2-CD2 3.93Å; F432-Y493 HydrophobicContact CD2-CG 4.09Å; F432-Y493 AromaticContact CE2-CD2 3.97Å; F432-Y493 HydrophobicContact CE2-CD2 3.97Å; F432-Y493 WeakPolarHBondContact O-CD1 3.24Å; F432-Q496 HydrophobicContact CB-CB 3.82Å; F432-Q496 HydrophobicContact CB-CG 3.95Å; F432-L499 HydrophobicContact CD1-CD2 4.2Å; F432-L499 HydrophobicContact CD2-CD2 3.68Å; F432-L499 HydrophobicContact CE1-CB 4.48Å; F432-L499 HydrophobicContact CE1-CD1 4.41Å; F432-L499 HydrophobicContact CE1-CD2 4.3Å; F432-L499 HydrophobicContact CE2-CD1 3.85Å; F432-L499 HydrophobicContact CE2-CD2 3.81Å; F432-L499 HydrophobicContact CE2-CG 4.44Å; F432-L499 HydrophobicContact CG-CD2 3.89Å; F432-L499 HydrophobicContact CZ-CD1 3.76Å; F432-L499 HydrophobicContact CZ-CD2 4.12Å; F432-L499 HydrophobicContact CZ-CG 4.39Å; F432-P500 HydrophobicContact CD1-CG 3.79Å; F432-P500 HydrophobicContact CE1-CG 4Å | ||
| 433 | W | 97.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -108 | 175.6 | -175.2 | 61.9 | 86 | 0 | 0 | 0 | 112.9 | F426 I431 R435 I440 N451 D453 L461 Y493 | F426-W433 HydrophobicContact CB-CH2 4.25Å; F426-W433 HydrophobicContact CB-CZ3 4.39Å; F426-W433 AromaticContact CD2-CH2 3.54Å; F426-W433 HydrophobicContact CD2-CH2 3.54Å; F426-W433 AromaticContact CD2-CZ3 3.48Å; F426-W433 HydrophobicContact CD2-CZ3 3.48Å; F426-W433 VanDerWaalsContact CD2-CZ3 3.48Å; F426-W433 HydrophobicContact CE2-CH2 4.25Å; F426-W433 AromaticContact CE2-CZ3 3.89Å; F426-W433 HydrophobicContact CE2-CZ3 3.89Å; F426-W433 HydrophobicContact CG-CH2 4.2Å; F426-W433 HydrophobicContact CG-CZ3 4.04Å; I431-W433 HydrophobicContact CB-CH2 4.4Å; I431-W433 HydrophobicContact CB-CZ2 4.47Å; I431-W433 HydrophobicContact CG1-CH2 3.96Å; I431-W433 HydrophobicContact CG1-CZ2 4.03Å; I431-W433 HydrophobicContact CG2-CD2 3.78Å; I431-W433 HydrophobicContact CG2-CE3 4.11Å; I431-W433 HydrophobicContact CG2-CG 4.27Å; I431-W433 HydrophobicContact CG2-CH2 4.2Å; I431-W433 HydrophobicContact CG2-CZ2 3.89Å; I431-W433 HydrophobicContact CG2-CZ3 4.3Å; W433-R435 PolarHBondContact O-N 2.72Å; W433-I440 HydrophobicContact CB-CD1 3.99Å; W433-I440 HydrophobicContact CG-CD1 4.03Å; W433-N451 PolarHBondContact NE1-OD1 3.14Å; W433-D453 HydrophobicContact CZ2-CB 4.32Å; W433-L461 HydrophobicContact CD2-CD1 3.85Å; W433-L461 HydrophobicContact CD2-CD2 4.17Å; W433-L461 HydrophobicContact CD2-CG 4.2Å; W433-L461 HydrophobicContact CE3-CD1 3.9Å; W433-L461 HydrophobicContact CE3-CG 4.48Å; W433-L461 HydrophobicContact CG-CD1 4.39Å; W433-L461 HydrophobicContact CG-CD2 4.44Å; W433-L461 HydrophobicContact CH2-CD1 4.31Å; W433-L461 HydrophobicContact CH2-CG 4.12Å; W433-L461 HydrophobicContact CZ2-CD1 4.25Å; W433-L461 HydrophobicContact CZ2-CD2 3.91Å; W433-L461 HydrophobicContact CZ2-CG 3.78Å; W433-L461 HydrophobicContact CZ3-CD1 4.14Å; W433-L461 HydrophobicContact CZ3-CG 4.45Å; W433-Y493 HydrophobicContact CB-CD2 4.48Å; W433-Y493 HydrophobicContact CB-CE1 4.12Å; W433-Y493 HydrophobicContact CB-CE2 3.75Å |
| 434 | D | 94.7 | Very high | 95.1 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | trans | -67.5 | 114.5 | 177.7 | -54.3 | -84.8 | 0 | 0 | 0 | 110.6 | R116 T437 N451 Y493 | R116-D434 IonicContact CZ-OD1 3.21Å; R116-D434 IonicContact CZ-OD2 3.63Å; R116-D434 IonicContact NE-OD1 2.84Å; R116-D434 IonicContact NE-OD2 3.65Å; R116-D434 PolarHBondContact NE-OD2 3.24Å; R116-D434 IonicContact NH2-OD1 3.84Å; R116-D434 PolarHBondContact NH2-OD1 3.16Å; R116-D434 IonicContact NH2-OD2 2.76Å; R116-D434 PolarHBondContact NH2-OD2 3.06Å; D434-T437 HydrophobicContact CB-CG2 3.7Å; D434-T437 WeakPolarHBondContact O-CG2 3.5Å; D434-N451 PolarHBondContact O-ND2 2.75Å; D434-Y493 PolarHBondContact N-OH 2.98Å; D434-Y493 VanDerWaalsContact OD2-CE1 3.3Å; D434-Y493 WeakPolarHBondContact OD2-CE1 3.33Å; D434-Y493 PolarHBondContact OD2-OH 2.93Å | ||
| 435 | R | 93.6 | Very high | 94.9 | Very high | 120 Ų | 120 | 32.2 Ų | 32.2 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -84.5 | -28.4 | -174.1 | -58.9 | -171 | 69 | -170.1 | 2.4 | 113.8 | I431 W433 T437 D453 F454 | I431-R435 HydrophobicContact CG2-CG 3.72Å; W433-R435 PolarHBondContact O-N 2.72Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3.17Å; R435-D453 IonicContact CZ-OD1 3.44Å; R435-D453 IonicContact CZ-OD2 3.44Å; R435-D453 IonicContact NE-OD1 3.26Å; R435-D453 IonicContact NE-OD2 2.68Å; R435-D453 PolarHBondContact NE-OD2 3.42Å; R435-D453 IonicContact NH2-OD1 2.7Å; R435-D453 PolarHBondContact NH2-OD1 3.31Å; R435-D453 IonicContact NH2-OD2 2.77Å; R435-D453 PolarHBondContact NH2-OD2 3.27Å; R435-F454 WeakPolarHBondContact O-CD2 3.5Å |
| 436 | D | 90.8 | Very high | 94.8 | Very high | 136 Ų | 136 | 34.9 Ų | 34.9 | 73% | 0.727 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -89.9 | 20.1 | -172.3 | -54.6 | -44.4 | 0 | 0 | 0 | 113.7 | ||
| 437 | T | 91.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | trans | -125.6 | 139.2 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | V114 D434 R435 H439 I440 N451 F454 | V114-T437 HydrophobicContact CB-CG2 4.12Å; V114-T437 HydrophobicContact CG2-CG2 3.75Å; V114-T437 WeakPolarHBondContact CG2-OG1 3.46Å; D434-T437 HydrophobicContact CB-CG2 3.7Å; D434-T437 WeakPolarHBondContact O-CG2 3.5Å; R435-T437 VanDerWaalsContact C-N 3.25Å; R435-T437 PolarHBondContact O-N 3.17Å; T437-H439 VanDerWaalsContact C-N 3.32Å; T437-H439 PolarHBondContact O-N 3.4Å; T437-H439 PolarHBondContact OG1-N 2.95Å; T437-H439 PolarHBondContact OG1-O 3.07Å; T437-I440 HydrophobicContact CG2-CD1 4.41Å; T437-I440 HydrophobicContact CG2-CG1 3.84Å; T437-N451 VanDerWaalsContact O-CB 3.31Å; T437-N451 WeakPolarHBondContact O-CB 3.34Å; T437-N451 PolarHBondContact O-ND2 3.5Å; T437-F454 WeakPolarHBondContact O-CB 3.13Å | ||
| 438 | P | 92.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.8 | -27.5 | 176.2 | 29.4 | -36.6 | 0 | 0 | 0 | 113.2 | L255 N451 F454 Y455 | L255-P438 HydrophobicContact CB-CG 4.36Å; P438-N451 WeakPolarHBondContact O-CB 3.31Å; P438-N451 PolarHBondContact O-N 3.45Å; P438-F454 HydrophobicContact CB-CD1 3.91Å; P438-F454 HydrophobicContact CB-CE1 3.91Å; P438-Y455 HydrophobicContact CB-CE2 3.82Å; P438-Y455 VanDerWaalsContact CB-OH 3.27Å; P438-Y455 WeakPolarHBondContact CB-OH 3.35Å |
| 439 | H | 93.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 145.8 | -172.4 | -60.9 | 112.8 | 0 | 0 | 0 | 112.2 | Y69 A113 V114 T437 H448 I449 | Y69-H439 PolarHBondContact OH-NE2 2.81Å; A113-H439 HydrophobicContact CB-CB 3.75Å; V114-H439 PolarHBondContact N-O 3.38Å; T437-H439 VanDerWaalsContact C-N 3.32Å; T437-H439 PolarHBondContact O-N 3.4Å; T437-H439 PolarHBondContact OG1-N 2.95Å; T437-H439 PolarHBondContact OG1-O 3.07Å; H439-H448 AromaticContact CD2-CD2 3.86Å; H439-H448 AromaticContact CD2-NE2 3.2Å; H439-H448 PolarHBondContact CD2-NE2 3.44Å; H439-H448 AromaticContact CG-NE2 3.42Å; H439-H448 AromaticContact NE2-NE2 3.88Å; H439-I449 VanDerWaalsContact CA-O 3.26Å; H439-I449 WeakPolarHBondContact CA-O 3.38Å |
| 440 | I | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.9 | 178.4 | -47.5 | 173.5 | 0 | 0 | 0 | 107.9 | V114 W433 T437 I449 N451 M492 | V114-I440 WeakPolarHBondContact O-CA 3.45Å; W433-I440 HydrophobicContact CB-CD1 3.99Å; W433-I440 HydrophobicContact CG-CD1 4.03Å; T437-I440 HydrophobicContact CG2-CD1 4.41Å; T437-I440 HydrophobicContact CG2-CG1 3.84Å; I440-I449 HydrophobicContact CB-CB 4.28Å; I440-I449 PolarHBondContact N-O 3.19Å; I440-I449 WeakPolarHBondContact O-CA 3.3Å; I440-I449 WeakPolarHBondContact O-CB 3.4Å; I440-I449 PolarHBondContact O-N 3.36Å; I440-N451 HydrophobicContact CD1-CB 4.5Å; I440-M492 HydrophobicContact CG2-CE 3.45Å; I440-M492 VanDerWaalsContact CG2-CE 3.45Å |
| 441 | T | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 169 | 178.9 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | A113 V114 W115 R116 L447 M492 | A113-T441 HydrophobicContact CB-CG2 3.87Å; V114-T441 PolarHBondContact O-N 2.92Å; W115-T441 WeakPolarHBondContact CA-O 3.42Å; W115-T441 HydrophobicContact CB-CG2 4.45Å; W115-T441 HydrophobicContact CD2-CG2 3.33Å; W115-T441 HydrophobicContact CE3-CG2 3.85Å; W115-T441 HydrophobicContact CG-CG2 3.6Å; W115-T441 HydrophobicContact CH2-CG2 4.29Å; W115-T441 HydrophobicContact CZ2-CG2 3.81Å; W115-T441 HydrophobicContact CZ3-CG2 4.29Å; R116-T441 PolarHBondContact N-O 3.2Å; T441-L447 PolarHBondContact OG1-O 3.27Å; T441-M492 WeakPolarHBondContact O-CE 3.2Å |
| 442 | C | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -138 | 159.2 | 175.3 | 68.9 | 0 | 0 | 0 | 0 | 112 | R116 N118 S196 M492 | R116-C442 WeakPolarHBondContact O-CA 3Å; R116-C442 WeakPolarHBondContact O-CB 3.3Å; N118-C442 HydrophobicContact CB-CB 3.91Å; S196-C442 PolarHBondContact OG-O 2.97Å; C442-M492 HydrophobicContact CB-CE 4.19Å; C442-M492 HydrophobicContact CB-CG 4.1Å; C442-M492 HydrophobicContact CB-SD 3.79Å | ||
| 443 | P | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -60.2 | 144.8 | 170.4 | -22.8 | 34.5 | 0 | 0 | 0 | 112.8 | W115 R116 I124 R189 I193 | W115-P443 HydrophobicContact CE3-CG 4.4Å; R116-P443 WeakPolarHBondContact O-CD 2.79Å; I124-P443 HydrophobicContact CD1-CG 3.35Å; R189-P443 HydrophobicContact CG-CG 4.47Å; I193-P443 HydrophobicContact CG1-CB 4.4Å; I193-P443 HydrophobicContact CG1-CG 4.15Å |
| 444 | G | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 20.9 Ų | 20.9 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 118.9 | 7.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G192 S196 Y446 K470 | G192-G444 VanDerWaalsContact C-N 3.3Å; G192-G444 VanDerWaalsContact CA-N 3.31Å; G192-G444 PolarHBondContact O-N 2.71Å; S196-G444 PolarHBondContact OG-N 3.11Å; G444-Y446 PolarHBondContact O-N 3.5Å; G444-K470 WeakPolarHBondContact O-CD 3.27Å; G444-K470 WeakPolarHBondContact O-CE 3.42Å; G444-K470 PolarHBondContact O-NZ 3.36Å |
| 445 | A | 94.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.025 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 56.1 | 42.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D195 S196 A199 W466 S469 K470 | D195-A445 HydrophobicContact CB-CB 3.83Å; D195-A445 WeakPolarHBondContact O-CB 3.17Å; S196-A445 PolarHBondContact OG-N 3.15Å; A199-A445 HydrophobicContact CB-CB 3.84Å; A445-W466 VanDerWaalsContact C-CZ3 3.45Å; A445-W466 HydrophobicContact CB-CZ3 3.98Å; A445-S469 CarbonylContact O-C 3.16Å; A445-S469 WeakPolarHBondContact O-CA 3.29Å; A445-S469 PolarHBondContact O-OG 2.75Å; A445-K470 HydrophobicContact CB-CG 4.43Å; A445-K470 PolarHBondContact O-N 2.85Å |
| 446 | Y | 95.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 15.1 Ų | 15.1 | 26% | 0.259 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -87 | -45.9 | 174.5 | -60.6 | -74.1 | 0 | 0 | 0 | 111.8 | G444 S469 K470 L488 | G444-Y446 PolarHBondContact O-N 3.5Å; Y446-S469 PolarHBondContact O-OG 2.97Å; Y446-K470 HydrophobicContact CD1-CB 3.94Å; Y446-K470 HydrophobicContact CE1-CB 3.89Å; Y446-L488 HydrophobicContact CD1-CD1 4.31Å; Y446-L488 HydrophobicContact CD1-CD2 4.49Å; Y446-L488 HydrophobicContact CD2-CD1 4.48Å; Y446-L488 HydrophobicContact CD2-CD2 3.86Å; Y446-L488 HydrophobicContact CE2-CD2 4.14Å; Y446-L488 HydrophobicContact CG-CD1 3.92Å; Y446-L488 HydrophobicContact CG-CD2 4.05Å |
| 447 | L | 93.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | trans | -167.8 | 168.6 | -168.8 | 52.3 | 72.7 | 0 | 0 | 0 | 112.2 | T441 I449 A463 H464 W466 L485 L488 | T441-L447 PolarHBondContact OG1-O 3.27Å; L447-I449 HydrophobicContact CD1-CD1 3.82Å; L447-I449 HydrophobicContact CD1-CG1 3.74Å; L447-I449 HydrophobicContact CD2-CD1 4.46Å; L447-A463 HydrophobicContact CB-CB 4.47Å; L447-A463 HydrophobicContact CD2-CB 4.26Å; L447-H464 VanDerWaalsContact CA-O 3.22Å; L447-H464 WeakPolarHBondContact CA-O 3.44Å; L447-W466 VanDerWaalsContact C-CH2 3.47Å; L447-W466 WeakPolarHBondContact O-CH2 3.33Å; L447-W466 VanDerWaalsContact O-CZ2 3.29Å; L447-W466 WeakPolarHBondContact O-CZ2 3.22Å; L447-L485 HydrophobicContact CD2-CD1 3.1Å; L447-L488 HydrophobicContact CD2-CD1 4Å | ||
| 448 | H | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131 | 160.9 | -172.8 | 81.8 | 0 | 0 | 0 | 108 | E108 H439 H464 W466 | E108-H448 IonicContact OE2-CD2 3.79Å; H439-H448 AromaticContact CD2-CD2 3.86Å; H439-H448 AromaticContact CD2-NE2 3.2Å; H439-H448 PolarHBondContact CD2-NE2 3.44Å; H439-H448 AromaticContact CG-NE2 3.42Å; H439-H448 AromaticContact NE2-NE2 3.88Å; H448-H464 HydrophobicContact CB-CB 4.44Å; H448-H464 PolarHBondContact N-O 3.11Å; H448-H464 VanDerWaalsContact N-O 3.12Å; H448-H464 WeakPolarHBondContact O-CB 3.45Å; H448-H464 PolarHBondContact O-N 3.45Å; H448-W466 HydrophobicContact CB-CZ2 3.77Å |
| 449 | I | 96.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.8 | -177.6 | -65.4 | 161.6 | 0 | 0 | 0 | 109.7 | H439 I440 L447 L461 V462 A463 L489 | H439-I449 VanDerWaalsContact CA-O 3.26Å; H439-I449 WeakPolarHBondContact CA-O 3.38Å; I440-I449 HydrophobicContact CB-CB 4.28Å; I440-I449 PolarHBondContact N-O 3.19Å; I440-I449 WeakPolarHBondContact O-CA 3.3Å; I440-I449 WeakPolarHBondContact O-CB 3.4Å; I440-I449 PolarHBondContact O-N 3.36Å; L447-I449 HydrophobicContact CD1-CD1 3.82Å; L447-I449 HydrophobicContact CD1-CG1 3.74Å; L447-I449 HydrophobicContact CD2-CD1 4.46Å; I449-L461 HydrophobicContact CG2-CB 4Å; I449-L461 HydrophobicContact CG2-CD1 4.36Å; I449-L461 HydrophobicContact CG2-CD2 3.79Å; I449-L461 HydrophobicContact CG2-CG 4.27Å; I449-V462 WeakPolarHBondContact CA-O 3.28Å; I449-A463 HydrophobicContact CG1-CB 3.97Å; I449-L489 HydrophobicContact CD1-CD2 3.8Å |
| 450 | L | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.3 | 160.1 | 170.1 | 60.1 | 0 | 0 | 0 | 108.7 | Y69 L276 C452 Y455 V462 | Y69-L450 HydrophobicContact CE2-CD2 4.4Å; Y69-L450 VanDerWaalsContact OH-CD1 3.26Å; Y69-L450 WeakPolarHBondContact OH-CD1 3.43Å; L276-L450 HydrophobicContact CD1-CD2 3.87Å; L276-L450 HydrophobicContact CD2-CD1 4.32Å; L276-L450 HydrophobicContact CD2-CD2 4.31Å; L450-C452 PolarHBondContact O-N 2.88Å; L450-Y455 HydrophobicContact CD1-CD2 3.75Å; L450-Y455 HydrophobicContact CD1-CE2 3.43Å; L450-Y455 VanDerWaalsContact CD1-CE2 3.43Å; L450-V462 HydrophobicContact CB-CB 4.23Å; L450-V462 PolarHBondContact N-O 2.88Å; L450-V462 PolarHBondContact O-N 3.01Å |
| 451 | N | 96 | Very high | 95 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 90 | 177.5 | -174.6 | 13.6 | 0 | 0 | 0 | 110 | W433 D434 T437 P438 I440 D453 F454 Y455 L461 | W433-N451 PolarHBondContact NE1-OD1 3.14Å; D434-N451 PolarHBondContact O-ND2 2.75Å; T437-N451 VanDerWaalsContact O-CB 3.31Å; T437-N451 WeakPolarHBondContact O-CB 3.34Å; T437-N451 PolarHBondContact O-ND2 3.5Å; P438-N451 WeakPolarHBondContact O-CB 3.31Å; P438-N451 PolarHBondContact O-N 3.45Å; I440-N451 HydrophobicContact CD1-CB 4.5Å; N451-D453 PolarHBondContact O-N 3.28Å; N451-D453 WeakPolarHBondContact OD1-CB 3.26Å; N451-D453 PolarHBondContact OD1-N 2.88Å; N451-F454 HydrophobicContact CB-CB 4.32Å; N451-F454 WeakPolarHBondContact O-CB 3.32Å; N451-F454 PolarHBondContact O-N 2.74Å; N451-Y455 WeakPolarHBondContact O-CD2 3.39Å; N451-L461 HydrophobicContact CB-CD2 4.3Å; N451-L461 WeakPolarHBondContact OD1-CD2 3.49Å |
| 452 | C | 95.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 12 Ų | 12 | 6% | 0.061 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.7 | -179.5 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | L450 F454 Y455 G456 N457 V460 | L450-C452 PolarHBondContact O-N 2.88Å; C452-F454 VanDerWaalsContact C-N 3.32Å; C452-F454 PolarHBondContact O-N 2.88Å; C452-Y455 CarbonylContact O-C 3.53Å; C452-Y455 PolarHBondContact O-N 2.85Å; C452-Y455 VanDerWaalsContact O-N 3.11Å; C452-G456 PolarHBondContact O-N 3.24Å; C452-N457 CarbonylContact C-O 3.59Å; C452-N457 HydrophobicContact CB-CB 4.05Å; C452-N457 PolarHBondContact O-N 2.95Å; C452-V460 WeakPolarHBondContact CA-O 3.43Å; C452-V460 HydrophobicContact CB-CB 3.82Å; C452-V460 HydrophobicContact CB-CG1 3.83Å; C452-V460 WeakPolarHBondContact CB-O 3.37Å; C452-V460 PolarHBondContact N-O 2.75Å |
| 453 | D | 94.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 12.1 Ų | 12.1 | 6% | 0.064 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -46.6 | 170 | 177.2 | 66.1 | 0 | 0 | 0 | 111.1 | I431 W433 R435 N451 Y455 G456 N457 P458 G459 V460 | I431-D453 VanDerWaalsContact CD1-OD1 3.3Å; I431-D453 WeakPolarHBondContact CD1-OD1 3.34Å; W433-D453 HydrophobicContact CZ2-CB 4.32Å; R435-D453 IonicContact CZ-OD1 3.44Å; R435-D453 IonicContact CZ-OD2 3.44Å; R435-D453 IonicContact NE-OD1 3.26Å; R435-D453 IonicContact NE-OD2 2.68Å; R435-D453 PolarHBondContact NE-OD2 3.42Å; R435-D453 IonicContact NH2-OD1 2.7Å; R435-D453 PolarHBondContact NH2-OD1 3.31Å; R435-D453 IonicContact NH2-OD2 2.77Å; R435-D453 PolarHBondContact NH2-OD2 3.27Å; N451-D453 PolarHBondContact O-N 3.28Å; N451-D453 WeakPolarHBondContact OD1-CB 3.26Å; N451-D453 PolarHBondContact OD1-N 2.88Å; D453-Y455 PolarHBondContact O-N 2.91Å; D453-G456 PolarHBondContact O-N 2.99Å; D453-N457 VanDerWaalsContact CA-O 3.26Å; D453-N457 WeakPolarHBondContact CA-O 3.49Å; D453-N457 PolarHBondContact N-O 3.25Å; D453-P458 VanDerWaalsContact OD1-CA 3.3Å; D453-P458 WeakPolarHBondContact OD1-CA 3.41Å; D453-G459 PolarHBondContact OD1-N 3.06Å; D453-V460 PolarHBondContact N-O 3.44Å |
| 454 | F | 94.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 12 Ų | 12 | 8% | 0.083 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.2 | 175.9 | 176.4 | -98.2 | 0 | 0 | 0 | 113.1 | L255 S260 R435 T437 P438 N451 C452 G456 | L255-F454 WeakPolarHBondContact O-CZ 3.38Å; S260-F454 WeakPolarHBondContact CB-O 3.5Å; R435-F454 WeakPolarHBondContact O-CD2 3.5Å; T437-F454 WeakPolarHBondContact O-CB 3.13Å; P438-F454 HydrophobicContact CB-CD1 3.91Å; P438-F454 HydrophobicContact CB-CE1 3.91Å; N451-F454 HydrophobicContact CB-CB 4.32Å; N451-F454 WeakPolarHBondContact O-CB 3.32Å; N451-F454 PolarHBondContact O-N 2.74Å; C452-F454 VanDerWaalsContact C-N 3.32Å; C452-F454 PolarHBondContact O-N 2.88Å; F454-G456 PolarHBondContact O-N 2.86Å |
| 455 | Y | 93.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 2% | 0.024 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9.3 | 178.5 | -69.2 | -73.9 | 0 | 0 | 0 | 113.6 | P95 G259 K262 L276 L278 P438 L450 N451 C452 D453 | P95-Y455 PolarHBondContact O-OH 3.49Å; G259-Y455 WeakPolarHBondContact O-CD1 3.22Å; G259-Y455 WeakPolarHBondContact O-CE1 3.37Å; K262-Y455 WeakPolarHBondContact CE-O 3.36Å; L276-Y455 HydrophobicContact CB-CE1 4.48Å; L276-Y455 HydrophobicContact CD2-CD1 3.73Å; L276-Y455 HydrophobicContact CD2-CD2 3.55Å; L276-Y455 HydrophobicContact CD2-CE1 4.07Å; L276-Y455 HydrophobicContact CD2-CE2 3.94Å; L276-Y455 HydrophobicContact CD2-CG 3.44Å; L276-Y455 VanDerWaalsContact CD2-CG 3.44Å; L278-Y455 HydrophobicContact CD2-CD1 4.37Å; P438-Y455 HydrophobicContact CB-CE2 3.82Å; P438-Y455 VanDerWaalsContact CB-OH 3.27Å; P438-Y455 WeakPolarHBondContact CB-OH 3.35Å; L450-Y455 HydrophobicContact CD1-CD2 3.75Å; L450-Y455 HydrophobicContact CD1-CE2 3.43Å; L450-Y455 VanDerWaalsContact CD1-CE2 3.43Å; N451-Y455 WeakPolarHBondContact O-CD2 3.39Å; C452-Y455 CarbonylContact O-C 3.53Å; C452-Y455 PolarHBondContact O-N 2.85Å; C452-Y455 VanDerWaalsContact O-N 3.11Å; D453-Y455 PolarHBondContact O-N 2.91Å |
| 456 | G | 90.7 | Very high | 95 | Very high | 32 Ų | 32 | 12 Ų | 12 | 33% | 0.33 | 7% | 0.07 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 26.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C452 D453 F454 | C452-G456 PolarHBondContact O-N 3.24Å; D453-G456 PolarHBondContact O-N 2.99Å; F454-G456 PolarHBondContact O-N 2.86Å |
| 457 | N | 91.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 8.9 Ų | 8.9 | 14% | 0.144 | 6% | 0.057 | C | C | . | . | trans | -113.2 | 85.4 | 163.8 | -83.2 | -16.8 | 0 | 0 | 0 | 108.6 | S61 V62 C452 D453 G459 V460 | S61-N457 VanDerWaalsContact CB-OD1 3.29Å; S61-N457 WeakPolarHBondContact CB-OD1 3.33Å; S61-N457 PolarHBondContact OG-OD1 3.33Å; V62-N457 PolarHBondContact O-ND2 3.15Å; C452-N457 CarbonylContact C-O 3.59Å; C452-N457 HydrophobicContact CB-CB 4.05Å; C452-N457 PolarHBondContact O-N 2.95Å; D453-N457 VanDerWaalsContact CA-O 3.26Å; D453-N457 WeakPolarHBondContact CA-O 3.49Å; D453-N457 PolarHBondContact N-O 3.25Å; N457-G459 PolarHBondContact O-N 2.81Å; N457-V460 HydrophobicContact CB-CB 4.3Å; N457-V460 HydrophobicContact CB-CG2 4.22Å; N457-V460 WeakPolarHBondContact O-CB 3.35Å; N457-V460 PolarHBondContact O-N 2.97Å | ||
| 458 | P | 91.7 | Very high | 94.9 | Very high | 53 Ų | 53 | 9.8 Ų | 9.8 | 34% | 0.344 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.2 | -167.9 | -26 | 35.7 | 0 | 0 | 0 | 113.9 | P428 D453 V460 | P428-P458 HydrophobicContact CB-CB 4Å; P428-P458 HydrophobicContact CG-CB 3.89Å; D453-P458 VanDerWaalsContact OD1-CA 3.3Å; D453-P458 WeakPolarHBondContact OD1-CA 3.41Å; P458-V460 PolarHBondContact O-N 3.37Å |
| 459 | G | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 6.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | M425 F426 D453 N457 | M425-G459 WeakPolarHBondContact CA-O 3.5Å; F426-G459 PolarHBondContact N-O 3.41Å; D453-G459 PolarHBondContact OD1-N 3.06Å; N457-G459 PolarHBondContact O-N 2.81Å |
| 460 | V | 97 | Very high | 94.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.8 | -176.5 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | L50 I423 L424 M425 C452 D453 N457 P458 V462 | L50-V460 HydrophobicContact CD1-CG1 4.19Å; L50-V460 HydrophobicContact CD1-CG2 3.59Å; I423-V460 HydrophobicContact CG2-CG1 4.31Å; L424-V460 WeakPolarHBondContact O-CA 3.37Å; M425-V460 HydrophobicContact CB-CG2 4.34Å; M425-V460 HydrophobicContact CG-CG2 4.04Å; M425-V460 HydrophobicContact SD-CG2 4.41Å; C452-V460 WeakPolarHBondContact CA-O 3.43Å; C452-V460 HydrophobicContact CB-CB 3.82Å; C452-V460 HydrophobicContact CB-CG1 3.83Å; C452-V460 WeakPolarHBondContact CB-O 3.37Å; C452-V460 PolarHBondContact N-O 2.75Å; D453-V460 PolarHBondContact N-O 3.44Å; N457-V460 HydrophobicContact CB-CB 4.3Å; N457-V460 HydrophobicContact CB-CG2 4.22Å; N457-V460 WeakPolarHBondContact O-CB 3.35Å; N457-V460 PolarHBondContact O-N 2.97Å; P458-V460 PolarHBondContact O-N 3.37Å; V460-V462 HydrophobicContact CG1-CG2 4.48Å |
| 461 | L | 98.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141 | 169.9 | -65.9 | -177.5 | 0 | 0 | 0 | 110.4 | I423 L424 W433 I449 N451 L489 | I423-L461 WeakPolarHBondContact CA-O 3.33Å; L424-L461 PolarHBondContact N-O 2.96Å; L424-L461 PolarHBondContact O-N 3.44Å; W433-L461 HydrophobicContact CD2-CD1 3.85Å; W433-L461 HydrophobicContact CD2-CD2 4.17Å; W433-L461 HydrophobicContact CD2-CG 4.2Å; W433-L461 HydrophobicContact CE3-CD1 3.9Å; W433-L461 HydrophobicContact CE3-CG 4.48Å; W433-L461 HydrophobicContact CG-CD1 4.39Å; W433-L461 HydrophobicContact CG-CD2 4.44Å; W433-L461 HydrophobicContact CH2-CD1 4.31Å; W433-L461 HydrophobicContact CH2-CG 4.12Å; W433-L461 HydrophobicContact CZ2-CD1 4.25Å; W433-L461 HydrophobicContact CZ2-CD2 3.91Å; W433-L461 HydrophobicContact CZ2-CG 3.78Å; W433-L461 HydrophobicContact CZ3-CD1 4.14Å; W433-L461 HydrophobicContact CZ3-CG 4.45Å; I449-L461 HydrophobicContact CG2-CB 4Å; I449-L461 HydrophobicContact CG2-CD1 4.36Å; I449-L461 HydrophobicContact CG2-CD2 3.79Å; I449-L461 HydrophobicContact CG2-CG 4.27Å; N451-L461 HydrophobicContact CB-CD2 4.3Å; N451-L461 WeakPolarHBondContact OD1-CD2 3.49Å; L461-L489 HydrophobicContact CD1-CD1 4.47Å |
| 462 | V | 98.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 105.3 | 174.7 | 179 | 0 | 0 | 0 | 0 | 109.2 | V63 K421 I423 I449 L450 V460 | V63-V462 HydrophobicContact CG2-CG2 3.76Å; K421-V462 HydrophobicContact CB-CG1 4.22Å; K421-V462 HydrophobicContact CD-CG1 3.75Å; K421-V462 HydrophobicContact CG-CG1 4.22Å; I423-V462 HydrophobicContact CG1-CG2 4.16Å; I449-V462 WeakPolarHBondContact CA-O 3.28Å; L450-V462 HydrophobicContact CB-CB 4.23Å; L450-V462 PolarHBondContact N-O 2.88Å; L450-V462 PolarHBondContact O-N 3.01Å; V460-V462 HydrophobicContact CG1-CG2 4.48Å |
| 463 | A | 98 | Very high | 94.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 116.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K421 V422 L447 I449 L485 | K421-A463 CarbonylContact C-O 3.52Å; K421-A463 VanDerWaalsContact CA-O 3.31Å; K421-A463 WeakPolarHBondContact CA-O 3.23Å; V422-A463 HydrophobicContact CB-CB 4.29Å; V422-A463 PolarHBondContact N-O 3.33Å; V422-A463 PolarHBondContact O-N 3.48Å; L447-A463 HydrophobicContact CB-CB 4.47Å; L447-A463 HydrophobicContact CD2-CB 4.26Å; I449-A463 HydrophobicContact CG1-CB 3.97Å; A463-L485 HydrophobicContact CB-CD1 4.07Å; A463-L485 HydrophobicContact CB-CD2 3.83Å |
| 464 | H | 96.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.9 | 171.8 | -71.2 | -114.4 | 0 | 0 | 0 | 110 | E108 H419 L447 H448 | E108-H464 IonicContact OE1-CE1 3.81Å; H419-H464 AromaticContact CE1-ND1 3.27Å; H419-H464 PolarHBondContact CE1-ND1 3.05Å; H419-H464 VanDerWaalsContact CE1-ND1 3.27Å; H419-H464 WeakPolarHBondContact NE2-CB 3.45Å; H419-H464 AromaticContact NE2-CG 3.54Å; H419-H464 AromaticContact NE2-ND1 2.97Å; H419-H464 PolarHBondContact NE2-ND1 3.04Å; L447-H464 VanDerWaalsContact CA-O 3.22Å; L447-H464 WeakPolarHBondContact CA-O 3.44Å; H448-H464 HydrophobicContact CB-CB 4.44Å; H448-H464 PolarHBondContact N-O 3.11Å; H448-H464 VanDerWaalsContact N-O 3.12Å; H448-H464 WeakPolarHBondContact O-CB 3.45Å; H448-H464 PolarHBondContact O-N 3.45Å |
| 465 | V | 96.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 98.4 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | H419 N420 V422 L471 I473 | H419-V465 CarbonylContact C-O 3.56Å; H419-V465 VanDerWaalsContact CA-O 3.3Å; H419-V465 WeakPolarHBondContact CA-O 3.35Å; N420-V465 PolarHBondContact N-O 2.97Å; N420-V465 PolarHBondContact O-N 3.35Å; V422-V465 HydrophobicContact CG2-CG2 4.1Å; V465-L471 HydrophobicContact CG1-CB 4.25Å; V465-L471 HydrophobicContact CG1-CG 4.42Å; V465-L471 VanDerWaalsContact CG1-O 3.27Å; V465-L471 WeakPolarHBondContact CG1-O 3.28Å; V465-L471 HydrophobicContact CG2-CD2 3.95Å; V465-I473 HydrophobicContact CB-CD1 3.92Å; V465-I473 HydrophobicContact CG1-CD1 3.81Å; V465-I473 HydrophobicContact CG1-CG1 4.31Å; V465-I473 HydrophobicContact CG2-CD1 4.2Å |
| 466 | W | 92.4 | Very high | 94.6 | Very high | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | trans | -76.4 | 167.4 | -172.4 | -19.9 | -80.1 | 0 | 0 | 0 | 113 | A199 Y204 A445 L447 H448 G468 S469 | A199-W466 HydrophobicContact CB-CD2 4.35Å; A199-W466 HydrophobicContact CB-CE3 3.49Å; A199-W466 VanDerWaalsContact CB-CE3 3.49Å; A199-W466 HydrophobicContact CB-CH2 4.27Å; A199-W466 HydrophobicContact CB-CZ3 3.44Å; A199-W466 VanDerWaalsContact CB-CZ3 3.44Å; Y204-W466 HydrophobicContact CD2-CB 4.28Å; Y204-W466 AromaticContact CD2-CD1 3.45Å; Y204-W466 VanDerWaalsContact CD2-CD1 3.45Å; Y204-W466 HydrophobicContact CD2-CG 4.05Å; Y204-W466 AromaticContact CE2-CD1 3.44Å; Y204-W466 VanDerWaalsContact CE2-CD1 3.44Å; Y204-W466 HydrophobicContact CE2-CG 4.4Å; Y204-W466 VanDerWaalsContact O-CB 3.24Å; Y204-W466 WeakPolarHBondContact O-CB 3.42Å; A445-W466 VanDerWaalsContact C-CZ3 3.45Å; A445-W466 HydrophobicContact CB-CZ3 3.98Å; L447-W466 VanDerWaalsContact C-CH2 3.47Å; L447-W466 WeakPolarHBondContact O-CH2 3.33Å; L447-W466 VanDerWaalsContact O-CZ2 3.29Å; L447-W466 WeakPolarHBondContact O-CZ2 3.22Å; H448-W466 HydrophobicContact CB-CZ2 3.77Å; W466-G468 PolarHBondContact O-N 3.45Å; W466-S469 WeakPolarHBondContact O-CB 3.46Å; W466-S469 PolarHBondContact O-N 3.01Å | ||
| 467 | G | 92.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y204 E417 S469 | Y204-G467 PolarHBondContact O-N 3.04Å; E417-G467 WeakPolarHBondContact CB-O 3.38Å; G467-S469 VanDerWaalsContact C-N 3.32Å |
| 468 | G | 93.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 4.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | A203 W466 | A203-G468 WeakPolarHBondContact O-CA 3.48Å; A203-G468 PolarHBondContact O-N 3.08Å; W466-G468 PolarHBondContact O-N 3.45Å |
| 469 | S | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -66.7 | 141.6 | -178 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | A445 Y446 W466 G467 L471 R472 | A445-S469 CarbonylContact O-C 3.16Å; A445-S469 WeakPolarHBondContact O-CA 3.29Å; A445-S469 PolarHBondContact O-OG 2.75Å; Y446-S469 PolarHBondContact O-OG 2.97Å; W466-S469 WeakPolarHBondContact O-CB 3.46Å; W466-S469 PolarHBondContact O-N 3.01Å; G467-S469 VanDerWaalsContact C-N 3.32Å; S469-L471 VanDerWaalsContact C-N 3.28Å; S469-L471 WeakPolarHBondContact OG-CB 3.41Å; S469-L471 PolarHBondContact OG-N 2.84Å; S469-R472 PolarHBondContact O-NH1 3.31Å | ||
| 470 | K | 94.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 37.6 Ų | 37.6 | 46% | 0.461 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -75.2 | -15.6 | 169 | -60.8 | -168.4 | -165.8 | 165.3 | 0 | 112.9 | D195 G444 A445 Y446 R472 | D195-K470 IonicContact OD2-NZ 3.93Å; D195-K470 PolarHBondContact OD2-NZ 2.77Å; G444-K470 WeakPolarHBondContact O-CD 3.27Å; G444-K470 WeakPolarHBondContact O-CE 3.42Å; G444-K470 PolarHBondContact O-NZ 3.36Å; A445-K470 HydrophobicContact CB-CG 4.43Å; A445-K470 PolarHBondContact O-N 2.85Å; Y446-K470 HydrophobicContact CD1-CB 3.94Å; Y446-K470 HydrophobicContact CE1-CB 3.89Å; K470-R472 PolarHBondContact O-N 3.46Å |
| 471 | L | 94.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -80.5 | 96.6 | 170.3 | 178.6 | 57.9 | 0 | 0 | 0 | 109.4 | V465 S469 T484 | V465-L471 HydrophobicContact CG1-CB 4.25Å; V465-L471 HydrophobicContact CG1-CG 4.42Å; V465-L471 VanDerWaalsContact CG1-O 3.27Å; V465-L471 WeakPolarHBondContact CG1-O 3.28Å; V465-L471 HydrophobicContact CG2-CD2 3.95Å; S469-L471 VanDerWaalsContact C-N 3.28Å; S469-L471 WeakPolarHBondContact OG-CB 3.41Å; S469-L471 PolarHBondContact OG-N 2.84Å; L471-T484 HydrophobicContact CD1-CG2 3.6Å |
| 472 | R | 91.7 | Very high | 95.8 | Very high | 108 Ų | 108 | 38 Ų | 38 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | trans | -76.7 | 136.7 | 176.1 | -58.5 | -50.6 | -165.5 | -177.2 | 24.6 | 111 | E417 S469 K470 R476 | E417-R472 IonicContact OE1-CZ 2.66Å; E417-R472 IonicContact OE1-NH1 2.76Å; E417-R472 IonicContact OE1-NH2 2.79Å; E417-R472 PolarHBondContact OE1-NH2 2.99Å; S469-R472 PolarHBondContact O-NH1 3.31Å; K470-R472 PolarHBondContact O-N 3.46Å; R472-R476 WeakPolarHBondContact O-CD 3.15Å; R472-R476 PolarHBondContact O-NH1 2.61Å | ||
| 473 | I | 94.7 | Very high | 95.8 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | trans | -107.5 | -47.2 | 179.2 | -68.9 | 171.8 | 0 | 0 | 0 | 111.4 | N420 V465 G475 R476 V481 V507 R509 | N420-I473 HydrophobicContact CB-CD1 3.58Å; V465-I473 HydrophobicContact CB-CD1 3.92Å; V465-I473 HydrophobicContact CG1-CD1 3.81Å; V465-I473 HydrophobicContact CG1-CG1 4.31Å; V465-I473 HydrophobicContact CG2-CD1 4.2Å; I473-G475 PolarHBondContact O-N 3.49Å; I473-R476 PolarHBondContact O-N 3.24Å; I473-R476 VanDerWaalsContact O-N 3.11Å; I473-V481 HydrophobicContact CB-CG2 4.5Å; I473-V481 HydrophobicContact CG1-CG1 4.13Å; I473-V481 HydrophobicContact CG1-CG2 4.26Å; I473-V507 HydrophobicContact CD1-CG1 4.32Å; I473-V507 HydrophobicContact CG2-CG1 3.9Å; I473-R509 HydrophobicContact CG2-CG 4.34Å; I473-R509 PolarHBondContact O-NH1 2.92Å; I473-R509 VanDerWaalsContact O-NH1 3.16Å | ||
| 474 | T | 93.9 | Very high | 95.8 | Very high | 60 Ų | 60 | 45 Ų | 45 | 37% | 0.368 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 133.6 | -180 | -48.9 | 0 | 0 | 0 | 0 | 110.4 | G415 R476 | G415-T474 WeakPolarHBondContact O-CG2 3.44Å; G415-T474 PolarHBondContact O-OG1 3.14Å; T474-R476 VanDerWaalsContact C-N 3.29Å; T474-R476 PolarHBondContact O-N 3.41Å |
| 475 | G | 92.8 | Very high | 95.8 | Very high | 78 Ų | 78 | 45 Ų | 45 | 80% | 0.804 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 7.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | I473 | I473-G475 PolarHBondContact O-N 3.49Š|
| 476 | R | 96.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 46 Ų | 46 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -120.3 | 148.8 | 175 | -59.1 | -179.5 | 74.2 | -161.2 | 2.2 | 110.5 | R472 I473 T474 A480 V481 T484 R509 | R472-R476 WeakPolarHBondContact O-CD 3.15Å; R472-R476 PolarHBondContact O-NH1 2.61Å; I473-R476 PolarHBondContact O-N 3.24Å; I473-R476 VanDerWaalsContact O-N 3.11Å; T474-R476 VanDerWaalsContact C-N 3.29Å; T474-R476 PolarHBondContact O-N 3.41Å; R476-A480 HydrophobicContact CB-CB 4.5Å; R476-A480 PolarHBondContact NH2-O 2.73Å; R476-V481 HydrophobicContact CB-CG2 4.07Å; R476-T484 PolarHBondContact NH1-OG1 2.64Å; R476-T484 PolarHBondContact NH2-OG1 3.25Å; R476-R509 PolarHBondContact O-NH1 3.43Å; R476-R509 PolarHBondContact O-NH2 3.19Å |
| 477 | S | 97.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 50 Ų | 50 | 44% | 0.441 | 27% | 0.273 | S | S | . | . | trans | -68.3 | 157.7 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | Q479 A480 V481 | S477-Q479 VanDerWaalsContact C-N 3.26Å; S477-Q479 PolarHBondContact O-N 3.12Å; S477-A480 PolarHBondContact O-N 2.68Å; S477-A480 WeakPolarHBondContact OG-CB 3.33Å; S477-A480 PolarHBondContact OG-N 2.96Å; S477-V481 WeakPolarHBondContact O-CG2 3.48Å; S477-V481 PolarHBondContact O-N 3.15Å; S477-V481 VanDerWaalsContact O-N 3.13Å | ||
| 478 | D | 98.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 176.6 | -72.2 | 8.9 | 0 | 0 | 0 | 110.9 | A480 V481 V482 V507 R509 | D478-A480 VanDerWaalsContact C-N 3.32Å; D478-A480 PolarHBondContact O-N 3.46Å; D478-V481 PolarHBondContact O-N 3.01Å; D478-V482 WeakPolarHBondContact O-CB 3.07Å; D478-V482 VanDerWaalsContact O-CG2 3.3Å; D478-V482 WeakPolarHBondContact O-CG2 3.34Å; D478-V482 PolarHBondContact O-N 2.7Å; D478-V507 HydrophobicContact CB-CB 4.42Å; D478-V507 HydrophobicContact CB-CG2 3.97Å; D478-R509 IonicContact OD1-CZ 2.64Å; D478-R509 VanDerWaalsContact OD1-CZ 3.32Å; D478-R509 IonicContact OD1-NE 3.25Å; D478-R509 PolarHBondContact OD1-NE 2.72Å; D478-R509 IonicContact OD1-NH2 2.61Å; D478-R509 PolarHBondContact OD1-NH2 3.46Å |
| 479 | Q | 98.1 | Very high | 96.7 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 67% | 0.668 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.6 | -41.2 | 177 | -63.8 | 77.8 | 9.8 | 0 | 0 | 111.8 | S477 K483 | S477-Q479 VanDerWaalsContact C-N 3.26Å; S477-Q479 PolarHBondContact O-N 3.12Å; Q479-K483 VanDerWaalsContact O-CB 3.27Å; Q479-K483 WeakPolarHBondContact O-CB 3.45Å; Q479-K483 PolarHBondContact O-N 3.36Å |
| 480 | A | 98.2 | Very high | 96.8 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R476 S477 D478 T484 | R476-A480 HydrophobicContact CB-CB 4.5Å; R476-A480 PolarHBondContact NH2-O 2.73Å; S477-A480 PolarHBondContact O-N 2.68Å; S477-A480 WeakPolarHBondContact OG-CB 3.33Å; S477-A480 PolarHBondContact OG-N 2.96Å; D478-A480 VanDerWaalsContact C-N 3.32Å; D478-A480 PolarHBondContact O-N 3.46Å; A480-T484 PolarHBondContact O-N 3.16Å; A480-T484 VanDerWaalsContact O-N 3.14Å; A480-T484 PolarHBondContact O-OG1 3.35Å |
| 481 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -50.5 | 175.2 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | V422 I473 R476 S477 D478 K483 T484 L485 V507 | V422-V481 HydrophobicContact CG2-CG1 3.8Å; I473-V481 HydrophobicContact CB-CG2 4.5Å; I473-V481 HydrophobicContact CG1-CG1 4.13Å; I473-V481 HydrophobicContact CG1-CG2 4.26Å; R476-V481 HydrophobicContact CB-CG2 4.07Å; S477-V481 WeakPolarHBondContact O-CG2 3.48Å; S477-V481 PolarHBondContact O-N 3.15Å; S477-V481 VanDerWaalsContact O-N 3.13Å; D478-V481 PolarHBondContact O-N 3.01Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 2.91Å; V481-T484 WeakPolarHBondContact O-CB 3.47Å; V481-T484 PolarHBondContact O-N 2.86Å; V481-T484 VanDerWaalsContact O-N 3.14Å; V481-L485 PolarHBondContact O-N 3.24Å; V481-V507 HydrophobicContact CB-CG2 4.43Å; V481-V507 HydrophobicContact CG1-CG1 4.37Å; V481-V507 HydrophobicContact CG1-CG2 4.27Å |
| 482 | V | 98.5 | Very high | 97.1 | Very high | 12 Ų | 12 | 45.9 Ų | 45.9 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 176.9 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | V422 L424 D478 T484 L485 L486 T505 V507 | V422-V482 HydrophobicContact CG1-CG2 4.23Å; L424-V482 HydrophobicContact CD2-CG1 4.03Å; L424-V482 HydrophobicContact CD2-CG2 4.33Å; D478-V482 WeakPolarHBondContact O-CB 3.07Å; D478-V482 VanDerWaalsContact O-CG2 3.3Å; D478-V482 WeakPolarHBondContact O-CG2 3.34Å; D478-V482 PolarHBondContact O-N 2.7Å; V482-T484 VanDerWaalsContact C-N 3.29Å; V482-T484 PolarHBondContact O-N 2.88Å; V482-L485 WeakPolarHBondContact O-CA 3.49Å; V482-L485 WeakPolarHBondContact O-CB 3.44Å; V482-L485 PolarHBondContact O-N 3.19Å; V482-L486 HydrophobicContact CG1-CD1 3.94Å; V482-L486 HydrophobicContact CG1-CG 4.28Å; V482-L486 WeakPolarHBondContact O-CG 3.26Å; V482-L486 PolarHBondContact O-N 3.12Å; V482-T505 HydrophobicContact CG1-CG2 4.01Å; V482-T505 HydrophobicContact CG2-CG2 4.1Å; V482-V507 HydrophobicContact CG2-CG2 4.24Å |
| 483 | K | 98 | Very high | 97.4 | Very high | 117 Ų | 117 | 41.2 Ų | 41.2 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57 | -44.3 | 176.4 | -171.3 | -165.3 | 179.4 | -50.8 | 0 | 111.7 | Q479 V481 L485 L486 D487 | Q479-K483 VanDerWaalsContact O-CB 3.27Å; Q479-K483 WeakPolarHBondContact O-CB 3.45Å; Q479-K483 PolarHBondContact O-N 3.36Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 2.91Å; K483-L485 VanDerWaalsContact C-N 3.27Å; K483-L485 PolarHBondContact O-N 2.83Å; K483-L486 PolarHBondContact O-N 3.48Å; K483-D487 IonicContact NZ-OD1 3.52Å; K483-D487 PolarHBondContact NZ-OD1 3.09Å; K483-D487 IonicContact NZ-OD2 3.9Å; K483-D487 PolarHBondContact NZ-OD2 3.25Å; K483-D487 PolarHBondContact O-N 3.47Å |
| 484 | T | 97.9 | Very high | 97.5 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 178.5 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | L471 R476 A480 V481 V482 D487 L488 | L471-T484 HydrophobicContact CD1-CG2 3.6Å; R476-T484 PolarHBondContact NH1-OG1 2.64Å; R476-T484 PolarHBondContact NH2-OG1 3.25Å; A480-T484 PolarHBondContact O-N 3.16Å; A480-T484 VanDerWaalsContact O-N 3.14Å; A480-T484 PolarHBondContact O-OG1 3.35Å; V481-T484 WeakPolarHBondContact O-CB 3.47Å; V481-T484 PolarHBondContact O-N 2.86Å; V481-T484 VanDerWaalsContact O-N 3.14Å; V482-T484 VanDerWaalsContact C-N 3.29Å; V482-T484 PolarHBondContact O-N 2.88Å; T484-D487 PolarHBondContact O-N 3.41Å; T484-L488 VanDerWaalsContact O-CG 3.3Å; T484-L488 WeakPolarHBondContact O-CG 3.26Å; T484-L488 PolarHBondContact O-N 2.79Å; T484-L488 VanDerWaalsContact O-N 3.08Å |
| 485 | L | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 175.3 | 175.8 | 57.7 | 0 | 0 | 0 | 112 | V422 L424 L447 A463 V481 V482 K483 L488 L489 | V422-L485 HydrophobicContact CB-CD2 3.89Å; V422-L485 HydrophobicContact CG1-CD2 3.52Å; L424-L485 HydrophobicContact CD1-CD2 3.49Å; L424-L485 VanDerWaalsContact CD1-CD2 3.49Å; L424-L485 HydrophobicContact CD1-CG 3.84Å; L424-L485 HydrophobicContact CD2-CD2 4.18Å; L424-L485 HydrophobicContact CG-CD2 3.81Å; L447-L485 HydrophobicContact CD2-CD1 3.1Å; A463-L485 HydrophobicContact CB-CD1 4.07Å; A463-L485 HydrophobicContact CB-CD2 3.83Å; V481-L485 PolarHBondContact O-N 3.24Å; V482-L485 WeakPolarHBondContact O-CA 3.49Å; V482-L485 WeakPolarHBondContact O-CB 3.44Å; V482-L485 PolarHBondContact O-N 3.19Å; K483-L485 VanDerWaalsContact C-N 3.27Å; K483-L485 PolarHBondContact O-N 2.83Å; L485-L488 WeakPolarHBondContact O-CB 3.36Å; L485-L488 PolarHBondContact O-N 3.17Å; L485-L489 HydrophobicContact CD1-CD1 4.35Å; L485-L489 HydrophobicContact CD1-CG 4.44Å; L485-L489 HydrophobicContact CG-CD1 4.25Å; L485-L489 WeakPolarHBondContact O-CG 3.47Å; L485-L489 PolarHBondContact O-N 3.03Å |
| 486 | L | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.2 | -67.7 | 173.3 | 0 | 0 | 0 | 111.7 | L424 F426 V482 K483 L488 L489 G490 P502 | L424-L486 HydrophobicContact CD1-CD2 4.21Å; F426-L486 HydrophobicContact CE1-CD2 4.15Å; F426-L486 HydrophobicContact CZ-CD2 3.82Å; V482-L486 HydrophobicContact CG1-CD1 3.94Å; V482-L486 HydrophobicContact CG1-CG 4.28Å; V482-L486 WeakPolarHBondContact O-CG 3.26Å; V482-L486 PolarHBondContact O-N 3.12Å; K483-L486 PolarHBondContact O-N 3.48Å; L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 PolarHBondContact O-N 2.96Å; L486-L489 PolarHBondContact O-N 3.14Å; L486-G490 PolarHBondContact O-N 3.16Å; L486-P502 HydrophobicContact CD1-CG 4.3Å; L486-P502 HydrophobicContact CD2-CG 4.16Å |
| 487 | D | 97.9 | Very high | 97.7 | Very high | 91 Ų | 91 | 46.2 Ų | 46.2 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 174.9 | -65.4 | -23.4 | 0 | 0 | 0 | 111.2 | K483 T484 G491 | K483-D487 IonicContact NZ-OD1 3.52Å; K483-D487 PolarHBondContact NZ-OD1 3.09Å; K483-D487 IonicContact NZ-OD2 3.9Å; K483-D487 PolarHBondContact NZ-OD2 3.25Å; K483-D487 PolarHBondContact O-N 3.47Å; T484-D487 PolarHBondContact O-N 3.41Å; D487-G491 PolarHBondContact O-N 2.89Å; D487-G491 VanDerWaalsContact O-N 3.14Å |
| 488 | L | 97.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 174.4 | -71.5 | 168.6 | 0 | 0 | 0 | 111.6 | N118 Y446 L447 T484 L485 L486 G490 G491 M492 | N118-L488 HydrophobicContact CB-CD2 4.46Å; N118-L488 WeakPolarHBondContact ND2-CD2 3.36Å; Y446-L488 HydrophobicContact CD1-CD1 4.31Å; Y446-L488 HydrophobicContact CD1-CD2 4.49Å; Y446-L488 HydrophobicContact CD2-CD1 4.48Å; Y446-L488 HydrophobicContact CD2-CD2 3.86Å; Y446-L488 HydrophobicContact CE2-CD2 4.14Å; Y446-L488 HydrophobicContact CG-CD1 3.92Å; Y446-L488 HydrophobicContact CG-CD2 4.05Å; L447-L488 HydrophobicContact CD2-CD1 4Å; T484-L488 VanDerWaalsContact O-CG 3.3Å; T484-L488 WeakPolarHBondContact O-CG 3.26Å; T484-L488 PolarHBondContact O-N 2.79Å; T484-L488 VanDerWaalsContact O-N 3.08Å; L485-L488 WeakPolarHBondContact O-CB 3.36Å; L485-L488 PolarHBondContact O-N 3.17Å; L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 PolarHBondContact O-N 2.96Å; L488-G490 VanDerWaalsContact C-N 3.33Å; L488-G490 PolarHBondContact O-N 2.77Å; L488-G491 PolarHBondContact O-N 3.43Å; L488-M492 WeakPolarHBondContact O-CG 3.36Å; L488-M492 PolarHBondContact O-N 3.13Å; L488-M492 VanDerWaalsContact O-N 3.1Å |
| 489 | L | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.8 | -74.5 | 169.4 | 0 | 0 | 0 | 111.6 | L424 F432 I449 L461 L485 L486 G491 M492 Y493 L499 | L424-L489 HydrophobicContact CD1-CD1 3.85Å; F432-L489 HydrophobicContact CE2-CB 4.19Å; F432-L489 HydrophobicContact CZ-CB 4.41Å; F432-L489 HydrophobicContact CZ-CD1 4.24Å; I449-L489 HydrophobicContact CD1-CD2 3.8Å; L461-L489 HydrophobicContact CD1-CD1 4.47Å; L485-L489 HydrophobicContact CD1-CD1 4.35Å; L485-L489 HydrophobicContact CD1-CG 4.44Å; L485-L489 HydrophobicContact CG-CD1 4.25Å; L485-L489 WeakPolarHBondContact O-CG 3.47Å; L485-L489 PolarHBondContact O-N 3.03Å; L486-L489 PolarHBondContact O-N 3.14Å; L489-G491 VanDerWaalsContact C-N 3.28Å; L489-G491 PolarHBondContact O-N 3.45Å; L489-M492 HydrophobicContact CD2-SD 4.35Å; L489-M492 WeakPolarHBondContact O-CA 3.43Å; L489-M492 WeakPolarHBondContact O-CB 3.05Å; L489-M492 PolarHBondContact O-N 2.63Å; L489-Y493 HydrophobicContact CD2-CE2 4.43Å; L489-Y493 WeakPolarHBondContact O-CD2 3.41Å; L489-Y493 PolarHBondContact O-N 2.86Å; L489-L499 HydrophobicContact CB-CD1 3.68Å |
| 490 | G | 98.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L486 L488 M492 Y493 P494 C497 | L486-G490 PolarHBondContact O-N 3.16Å; L488-G490 VanDerWaalsContact C-N 3.33Å; L488-G490 PolarHBondContact O-N 2.77Å; G490-M492 VanDerWaalsContact C-N 3.31Å; G490-M492 PolarHBondContact O-N 2.81Å; G490-Y493 CarbonylContact O-C 3.37Å; G490-Y493 VanDerWaalsContact O-C 3.24Å; G490-Y493 PolarHBondContact O-N 3.07Å; G490-P494 VanDerWaalsContact O-CA 3.27Å; G490-P494 WeakPolarHBondContact O-CA 3.35Å; G490-P494 VanDerWaalsContact O-N 3.12Å; G490-C497 VanDerWaalsContact CA-SG 3.54Å |
| 491 | G | 97.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 48 Ų | 48 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -26.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | N118 G121 D487 L488 L489 | N118-G491 CarbonylContact C-O 3.55Å; N118-G491 WeakPolarHBondContact O-CA 3.24Å; G121-G491 PolarHBondContact N-O 2.94Å; D487-G491 PolarHBondContact O-N 2.89Å; D487-G491 VanDerWaalsContact O-N 3.14Å; L488-G491 PolarHBondContact O-N 3.43Å; L489-G491 VanDerWaalsContact C-N 3.28Å; L489-G491 PolarHBondContact O-N 3.45Å |
| 492 | M | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.1 | -30.3 | 175.4 | -66.2 | 165.8 | 68.2 | 0 | 0 | 112.2 | R116 N118 G121 I440 T441 C442 L488 L489 G490 P494 | R116-M492 HydrophobicContact CB-CB 4Å; R116-M492 HydrophobicContact CB-CE 4.12Å; R116-M492 HydrophobicContact CB-CG 4.18Å; N118-M492 HydrophobicContact CB-CG 3.74Å; G121-M492 WeakPolarHBondContact CA-O 3.17Å; I440-M492 HydrophobicContact CG2-CE 3.45Å; I440-M492 VanDerWaalsContact CG2-CE 3.45Å; T441-M492 WeakPolarHBondContact O-CE 3.2Å; C442-M492 HydrophobicContact CB-CE 4.19Å; C442-M492 HydrophobicContact CB-CG 4.1Å; C442-M492 HydrophobicContact CB-SD 3.79Å; L488-M492 WeakPolarHBondContact O-CG 3.36Å; L488-M492 PolarHBondContact O-N 3.13Å; L488-M492 VanDerWaalsContact O-N 3.1Å; L489-M492 HydrophobicContact CD2-SD 4.35Å; L489-M492 WeakPolarHBondContact O-CA 3.43Å; L489-M492 WeakPolarHBondContact O-CB 3.05Å; L489-M492 PolarHBondContact O-N 2.63Å; G490-M492 VanDerWaalsContact C-N 3.31Å; G490-M492 PolarHBondContact O-N 2.81Å; M492-P494 VanDerWaalsContact C-CD 3.41Å; M492-P494 WeakPolarHBondContact O-CD 2.98Å |
| 493 | Y | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -126.2 | 60.2 | -178.7 | -58.5 | -80.2 | 0 | 0 | 0 | 111.5 | R116 F432 W433 D434 L489 G490 S495 Q496 | R116-Y493 VanDerWaalsContact CD-CE1 3.47Å; R116-Y493 VanDerWaalsContact NE-CE1 3.31Å; F432-Y493 AromaticContact CD2-CD2 3.93Å; F432-Y493 HydrophobicContact CD2-CD2 3.93Å; F432-Y493 HydrophobicContact CD2-CG 4.09Å; F432-Y493 AromaticContact CE2-CD2 3.97Å; F432-Y493 HydrophobicContact CE2-CD2 3.97Å; F432-Y493 WeakPolarHBondContact O-CD1 3.24Å; W433-Y493 HydrophobicContact CB-CD2 4.48Å; W433-Y493 HydrophobicContact CB-CE1 4.12Å; W433-Y493 HydrophobicContact CB-CE2 3.75Å; D434-Y493 PolarHBondContact N-OH 2.98Å; D434-Y493 VanDerWaalsContact OD2-CE1 3.3Å; D434-Y493 WeakPolarHBondContact OD2-CE1 3.33Å; D434-Y493 PolarHBondContact OD2-OH 2.93Å; L489-Y493 HydrophobicContact CD2-CE2 4.43Å; L489-Y493 WeakPolarHBondContact O-CD2 3.41Å; L489-Y493 PolarHBondContact O-N 2.86Å; G490-Y493 CarbonylContact O-C 3.37Å; G490-Y493 VanDerWaalsContact O-C 3.24Å; G490-Y493 PolarHBondContact O-N 3.07Å; Y493-S495 VanDerWaalsContact C-N 3.27Å; Y493-S495 PolarHBondContact O-N 3.47Å; Y493-Q496 WeakPolarHBondContact O-CB 3.25Å; Y493-Q496 PolarHBondContact O-N 3.37Å |
| 494 | P | 97.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -63.8 | -30.4 | -172.3 | 25.3 | -35 | 0 | 0 | 0 | 113.3 | G490 M492 Q496 C497 | G490-P494 VanDerWaalsContact O-CA 3.27Å; G490-P494 WeakPolarHBondContact O-CA 3.35Å; G490-P494 VanDerWaalsContact O-N 3.12Å; M492-P494 VanDerWaalsContact C-CD 3.41Å; M492-P494 WeakPolarHBondContact O-CD 2.98Å; P494-Q496 PolarHBondContact O-N 3.45Å; P494-C497 WeakPolarHBondContact O-CB 3.23Å; P494-C497 PolarHBondContact O-N 3.38Å |
| 495 | S | 96.2 | Very high | 97.1 | Very high | 108 Ų | 108 | 50.7 Ų | 50.7 | 76% | 0.755 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -70.7 | -12 | 177 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | Y493 | Y493-S495 VanDerWaalsContact C-N 3.27Å; Y493-S495 PolarHBondContact O-N 3.47Å |
| 496 | Q | 95.9 | Very high | 97.1 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -101.8 | 3.5 | 179.1 | -56.3 | -69.2 | 1 | 0 | 0 | 112.1 | F432 Y493 P494 P498 L499 | F432-Q496 HydrophobicContact CB-CB 3.82Å; F432-Q496 HydrophobicContact CB-CG 3.95Å; Y493-Q496 WeakPolarHBondContact O-CB 3.25Å; Y493-Q496 PolarHBondContact O-N 3.37Å; P494-Q496 PolarHBondContact O-N 3.45Å; Q496-P498 CarbonylContact O-C 3.42Å; Q496-L499 HydrophobicContact CB-CD2 4.21Å |
| 497 | C | 95.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 43% | 0.432 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 145.6 | -178.8 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | G490 P494 | G490-C497 VanDerWaalsContact CA-SG 3.54Å; P494-C497 WeakPolarHBondContact O-CB 3.23Å; P494-C497 PolarHBondContact O-N 3.38Å |
| 498 | P | 96.1 | Very high | 97.1 | Very high | 125 Ų | 125 | 48.4 Ų | 48.4 | 81% | 0.812 | 28% | 0.278 | S | S | * | . | S | Bend | cis | -70.7 | 140.9 | -1 | 31 | -35.1 | 0 | 0 | 0 | 111.8 | Q496 | Q496-P498 CarbonylContact O-C 3.42Š|
| 499 | L | 97.2 | Very high | 97.1 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 148.5 | 177.1 | -61.1 | -172.5 | 0 | 0 | 0 | 110.3 | F432 L489 Q496 | F432-L499 HydrophobicContact CD1-CD2 4.2Å; F432-L499 HydrophobicContact CD2-CD2 3.68Å; F432-L499 HydrophobicContact CE1-CB 4.48Å; F432-L499 HydrophobicContact CE1-CD1 4.41Å; F432-L499 HydrophobicContact CE1-CD2 4.3Å; F432-L499 HydrophobicContact CE2-CD1 3.85Å; F432-L499 HydrophobicContact CE2-CD2 3.81Å; F432-L499 HydrophobicContact CE2-CG 4.44Å; F432-L499 HydrophobicContact CG-CD2 3.89Å; F432-L499 HydrophobicContact CZ-CD1 3.76Å; F432-L499 HydrophobicContact CZ-CD2 4.12Å; F432-L499 HydrophobicContact CZ-CG 4.39Å; L489-L499 HydrophobicContact CB-CD1 3.68Å; Q496-L499 HydrophobicContact CB-CD2 4.21Å |
| 500 | P | 96.7 | Very high | 97 | Very high | 26 Ų | 26 | 51 Ų | 51 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 154.5 | 172 | 28.7 | -37 | 0 | 0 | 0 | 111 | F426 E430 F432 | F426-P500 HydrophobicContact CD1-CB 4.32Å; F426-P500 HydrophobicContact CD1-CG 3.78Å; F426-P500 HydrophobicContact CE1-CG 4.21Å; F426-P500 VanDerWaalsContact CE1-O 3.27Å; F426-P500 WeakPolarHBondContact CE1-O 3.28Å; E430-P500 HydrophobicContact CB-CB 3.96Å; E430-P500 HydrophobicContact CB-CG 3.94Å; E430-P500 HydrophobicContact CG-CB 4.5Å; F432-P500 HydrophobicContact CD1-CG 3.79Å; F432-P500 HydrophobicContact CE1-CG 4Å |
| 501 | E | 95.9 | Very high | 96.9 | Very high | 148 Ų | 148 | 50.5 Ų | 50.5 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 136.2 | 172.3 | -73.3 | -64 | 155.8 | 0 | 0 | 110.3 | I503 | E501-I503 PolarHBondContact O-N 3.44Š|
| 502 | P | 97 | Very high | 96.8 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 134.6 | 173.6 | -16.9 | 27.9 | 0 | 0 | 0 | 111.6 | L424 M425 F426 L486 Y504 T505 | L424-P502 HydrophobicContact CD2-CG 4.14Å; M425-P502 CarbonylContact O-C 3.38Å; M425-P502 VanDerWaalsContact O-CA 3.32Å; M425-P502 WeakPolarHBondContact O-CA 3.35Å; F426-P502 HydrophobicContact CD1-CB 4.39Å; F426-P502 HydrophobicContact CD1-CG 4.33Å; F426-P502 HydrophobicContact CE1-CB 4.16Å; F426-P502 HydrophobicContact CE1-CG 3.65Å; F426-P502 HydrophobicContact CZ-CB 4.47Å; F426-P502 HydrophobicContact CZ-CG 3.89Å; L486-P502 HydrophobicContact CD1-CG 4.3Å; L486-P502 HydrophobicContact CD2-CG 4.16Å; P502-Y504 VanDerWaalsContact C-N 3.26Å; P502-Y504 PolarHBondContact O-N 2.93Å; P502-T505 HydrophobicContact CB-CG2 3.6Å; P502-T505 HydrophobicContact CG-CG2 3.91Å |
| 503 | I | 94.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 46% | 0.456 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -67.1 | -32.8 | 170.8 | -57.6 | 173 | 0 | 0 | 0 | 110.5 | V53 M425 N427 E501 | V53-I503 HydrophobicContact CG2-CD1 4.44Å; M425-I503 PolarHBondContact O-N 2.91Å; N427-I503 HydrophobicContact CB-CD1 3.86Å; E501-I503 PolarHBondContact O-N 3.44Å |
| 504 | Y | 96.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 54 Ų | 54 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142.2 | 178.5 | 171.2 | -90.3 | 0 | 0 | 0 | 111.4 | L50 P51 I423 M425 P502 H506 | L50-Y504 HydrophobicContact CD2-CD1 3.81Å; L50-Y504 HydrophobicContact CD2-CE1 3.77Å; P51-Y504 HydrophobicContact CG-CD2 4.26Å; P51-Y504 HydrophobicContact CG-CG 4.09Å; I423-Y504 HydrophobicContact CG2-CE1 4.34Å; M425-Y504 HydrophobicContact CB-CD1 4.44Å; M425-Y504 PolarHBondContact N-O 2.73Å; M425-Y504 PolarHBondContact O-N 2.83Å; P502-Y504 VanDerWaalsContact C-N 3.26Å; P502-Y504 PolarHBondContact O-N 2.93Å; Y504-H506 HydrophobicContact CE1-CB 3.91Å |
| 505 | T | 98.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 34% | 0.344 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.5 | 174.9 | 67.2 | 0 | 0 | 0 | 0 | 111 | I423 L424 V482 P502 | I423-T505 CarbonylContact O-C 3.57Å; I423-T505 VanDerWaalsContact O-CA 3.23Å; I423-T505 WeakPolarHBondContact O-CA 3.14Å; L424-T505 HydrophobicContact CD2-CG2 3.76Å; V482-T505 HydrophobicContact CG1-CG2 4.01Å; V482-T505 HydrophobicContact CG2-CG2 4.1Å; P502-T505 HydrophobicContact CB-CG2 3.6Å; P502-T505 HydrophobicContact CG-CG2 3.91Å |
| 506 | H | 98.2 | Very high | 96.6 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.269 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 134.5 | 171.4 | -172.6 | 94.7 | 0 | 0 | 0 | 110.9 | L65 V422 I423 Y504 | L65-H506 WeakPolarHBondContact CD1-NE2 2.92Å; V422-H506 CarbonylContact C-O 3.57Å; V422-H506 WeakPolarHBondContact CA-O 3.24Å; I423-H506 HydrophobicContact CB-CB 4.24Å; I423-H506 HydrophobicContact CD1-CB 4.14Å; I423-H506 PolarHBondContact N-O 2.92Å; I423-H506 PolarHBondContact O-N 3.49Å; Y504-H506 HydrophobicContact CE1-CB 3.91Å |
| 507 | V | 98.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117.4 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V422 I473 D478 V481 V482 | V422-V507 HydrophobicContact CG1-CG2 4.14Å; V422-V507 HydrophobicContact CG2-CG1 4.33Å; V422-V507 HydrophobicContact CG2-CG2 4.26Å; I473-V507 HydrophobicContact CD1-CG1 4.32Å; I473-V507 HydrophobicContact CG2-CG1 3.9Å; D478-V507 HydrophobicContact CB-CB 4.42Å; D478-V507 HydrophobicContact CB-CG2 3.97Å; V481-V507 HydrophobicContact CB-CG2 4.43Å; V481-V507 HydrophobicContact CG1-CG1 4.37Å; V481-V507 HydrophobicContact CG1-CG2 4.27Å; V482-V507 HydrophobicContact CG2-CG2 4.24Å |
| 508 | T | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -75.4 | 146.9 | 174.2 | 70.8 | 0 | 0 | 0 | 0 | 110.6 | L65 N420 K421 W510 | L65-T508 HydrophobicContact CB-CG2 3.94Å; L65-T508 HydrophobicContact CD2-CG2 4.4Å; N420-T508 VanDerWaalsContact CA-OG1 3.29Å; N420-T508 WeakPolarHBondContact CA-OG1 3.29Å; N420-T508 WeakPolarHBondContact CB-O 3.17Å; N420-T508 VanDerWaalsContact CB-OG1 3.3Å; N420-T508 WeakPolarHBondContact CB-OG1 2.94Å; N420-T508 VanDerWaalsContact OD1-C 3.23Å; N420-T508 PolarHBondContact OD1-O 3.13Å; N420-T508 PolarHBondContact OD1-OG1 3.5Å; N420-T508 VanDerWaalsContact OD1-OG1 3.09Å; K421-T508 HydrophobicContact CB-CG2 4.19Å; K421-T508 PolarHBondContact N-OG1 2.93Å; K421-T508 PolarHBondContact O-N 3.41Å; T508-W510 HydrophobicContact CG2-CZ2 4.42Å; T508-W510 PolarHBondContact OG1-NE1 3.13Å | ||
| 509 | R | 97.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | trans | -133.2 | 60.2 | -178.5 | -64.1 | -178.6 | 174.7 | -84.4 | -3.7 | 112 | N420 I473 R476 D478 S511 E512 D513 | N420-R509 PolarHBondContact OD1-N 3.03Å; I473-R509 HydrophobicContact CG2-CG 4.34Å; I473-R509 PolarHBondContact O-NH1 2.92Å; I473-R509 VanDerWaalsContact O-NH1 3.16Å; R476-R509 PolarHBondContact O-NH1 3.43Å; R476-R509 PolarHBondContact O-NH2 3.19Å; D478-R509 IonicContact OD1-CZ 2.64Å; D478-R509 VanDerWaalsContact OD1-CZ 3.32Å; D478-R509 IonicContact OD1-NE 3.25Å; D478-R509 PolarHBondContact OD1-NE 2.72Å; D478-R509 IonicContact OD1-NH2 2.61Å; D478-R509 PolarHBondContact OD1-NH2 3.46Å; R509-S511 VanDerWaalsContact C-N 3.28Å; R509-S511 PolarHBondContact O-N 3.01Å; R509-E512 HydrophobicContact CB-CB 4.16Å; R509-E512 HydrophobicContact CB-CG 4.44Å; R509-E512 WeakPolarHBondContact CD-OE1 3.3Å; R509-E512 WeakPolarHBondContact CG-OE1 3.41Å; R509-E512 IonicContact CZ-OE1 2.89Å; R509-E512 IonicContact NH1-OE1 3.15Å; R509-E512 PolarHBondContact NH1-OE1 3.35Å; R509-E512 IonicContact NH1-OE2 3.05Å; R509-E512 PolarHBondContact O-N 3.37Å; R509-D513 PolarHBondContact O-N 3.35Å | ||
| 510 | W | 96.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.6 | -169.2 | -64.9 | 116.8 | 0 | 0 | 0 | 114.3 | R44 L65 T418 N420 T508 S516 L517 G518 A519 | R44-W510 HydrophobicContact CB-CH2 4.48Å; R44-W510 HydrophobicContact CB-CZ3 4.42Å; R44-W510 HydrophobicContact CG-CD2 4.49Å; R44-W510 HydrophobicContact CG-CE3 3.96Å; R44-W510 HydrophobicContact CG-CH2 4.47Å; R44-W510 HydrophobicContact CG-CZ3 3.96Å; L65-W510 HydrophobicContact CB-CZ2 4.34Å; T418-W510 HydrophobicContact CG2-CB 4.22Å; N420-W510 PolarHBondContact OD1-N 2.89Å; T508-W510 HydrophobicContact CG2-CZ2 4.42Å; T508-W510 PolarHBondContact OG1-NE1 3.13Å; W510-S516 WeakPolarHBondContact O-CB 3.45Å; W510-L517 PolarHBondContact O-N 3.27Å; W510-L517 VanDerWaalsContact O-N 3.14Å; W510-G518 PolarHBondContact O-N 2.87Å; W510-A519 HydrophobicContact CB-CB 3.99Å; W510-A519 HydrophobicContact CG-CB 4Å |
| 511 | S | 96.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.7 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | G415 A416 R509 | G415-S511 PolarHBondContact N-O 3.35Å; A416-S511 WeakPolarHBondContact O-CB 3.44Å; A416-S511 PolarHBondContact O-OG 2.95Å; R509-S511 VanDerWaalsContact C-N 3.28Å; R509-S511 PolarHBondContact O-N 3.01Å |
| 512 | E | 96 | Very high | 95.7 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -20.9 | 179.1 | -55.1 | 177.3 | -99.7 | 0 | 0 | 111.7 | R509 P514 | R509-E512 HydrophobicContact CB-CB 4.16Å; R509-E512 HydrophobicContact CB-CG 4.44Å; R509-E512 WeakPolarHBondContact CD-OE1 3.3Å; R509-E512 WeakPolarHBondContact CG-OE1 3.41Å; R509-E512 IonicContact CZ-OE1 2.89Å; R509-E512 IonicContact NH1-OE1 3.15Å; R509-E512 PolarHBondContact NH1-OE1 3.35Å; R509-E512 IonicContact NH1-OE2 3.05Å; R509-E512 PolarHBondContact O-N 3.37Å; E512-P514 WeakPolarHBondContact O-CD 3.48Å |
| 513 | D | 95.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -67.4 | 116.8 | 172.8 | 169.6 | 4.8 | 0 | 0 | 0 | 110.6 | R38 R509 F515 S516 L517 | R38-D513 IonicContact CZ-OD2 3.71Å; R38-D513 VanDerWaalsContact NH2-CG 3.26Å; R38-D513 IonicContact NH2-OD1 2.76Å; R38-D513 PolarHBondContact NH2-OD1 3.01Å; R38-D513 VanDerWaalsContact NH2-OD1 3.15Å; R38-D513 IonicContact NH2-OD2 3.74Å; R38-D513 PolarHBondContact NH2-OD2 3.5Å; R509-D513 PolarHBondContact O-N 3.35Å; D513-F515 PolarHBondContact O-N 3.44Å; D513-F515 VanDerWaalsContact O-N 3.09Å; D513-F515 PolarHBondContact OD1-N 3.1Å; D513-S516 PolarHBondContact O-N 3.21Å; D513-S516 VanDerWaalsContact OD2-CB 3.28Å; D513-S516 WeakPolarHBondContact OD2-CB 3.34Å; D513-S516 PolarHBondContact OD2-OG 3.07Å; D513-L517 PolarHBondContact O-N 2.88Å |
| 514 | P | 95.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 7% | 0.065 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.7 | -172.8 | 24.3 | -33.8 | 0 | 0 | 0 | 113 | D387 R389 S390 E512 L517 | D387-P514 HydrophobicContact CB-CB 4.15Å; R389-P514 HydrophobicContact CB-CB 3.99Å; S390-P514 WeakPolarHBondContact CB-O 3.46Å; S390-P514 PolarHBondContact OG-O 2.73Å; E512-P514 WeakPolarHBondContact O-CD 3.48Å; P514-L517 VanDerWaalsContact O-CD1 3.25Å; P514-L517 WeakPolarHBondContact O-CD1 3.46Å; P514-L517 WeakPolarHBondContact O-CG 3.49Å |
| 515 | F | 96.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.5 | -177.7 | -51.2 | -71.6 | 0 | 0 | 0 | 113.1 | A37 R38 V299 Y352 P379 D513 | A37-F515 HydrophobicContact CB-CD1 3.49Å; A37-F515 VanDerWaalsContact CB-CD1 3.49Å; A37-F515 HydrophobicContact CB-CE1 3.56Å; A37-F515 HydrophobicContact CB-CG 4.09Å; A37-F515 HydrophobicContact CB-CZ 4.19Å; R38-F515 HydrophobicContact CG-CD2 4.23Å; R38-F515 VanDerWaalsContact NH2-C 3.27Å; R38-F515 PolarHBondContact NH2-O 2.89Å; V299-F515 HydrophobicContact CG1-CE1 4.17Å; V299-F515 HydrophobicContact CG2-CE1 4.01Å; V299-F515 HydrophobicContact CG2-CZ 4.19Å; Y352-F515 HydrophobicContact CD1-CE2 4.06Å; Y352-F515 HydrophobicContact CD1-CZ 4.19Å; Y352-F515 HydrophobicContact CD2-CZ 4.2Å; Y352-F515 AromaticContact CE1-CE2 3.68Å; Y352-F515 HydrophobicContact CE1-CE2 3.68Å; Y352-F515 HydrophobicContact CE1-CZ 4.16Å; Y352-F515 HydrophobicContact CE2-CE2 4.26Å; Y352-F515 HydrophobicContact CE2-CZ 4.16Å; Y352-F515 HydrophobicContact CG-CZ 4.21Å; Y352-F515 AromaticContact CZ-CE2 3.79Å; P379-F515 WeakPolarHBondContact CG-O 3.34Å; D513-F515 PolarHBondContact O-N 3.44Å; D513-F515 VanDerWaalsContact O-N 3.09Å; D513-F515 PolarHBondContact OD1-N 3.1Å |
| 516 | S | 96.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -52.9 | 173.3 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | R38 P379 W510 D513 G518 | R38-S516 PolarHBondContact NH2-OG 3.41Å; P379-S516 VanDerWaalsContact CB-O 3.23Å; P379-S516 WeakPolarHBondContact CB-O 3.32Å; W510-S516 WeakPolarHBondContact O-CB 3.45Å; D513-S516 PolarHBondContact O-N 3.21Å; D513-S516 VanDerWaalsContact OD2-CB 3.28Å; D513-S516 WeakPolarHBondContact OD2-CB 3.34Å; D513-S516 PolarHBondContact OD2-OG 3.07Å; S516-G518 VanDerWaalsContact C-N 3.29Å; S516-G518 PolarHBondContact O-N 3.48Å |
| 517 | L | 97.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 49.1 | 48.8 | 179.3 | -61.9 | 168.5 | 0 | 0 | 0 | 112.8 | G381 V382 L386 D387 I411 L414 W510 D513 P514 | G381-L517 VanDerWaalsContact O-CD1 3.31Å; G381-L517 WeakPolarHBondContact O-CD1 3.32Å; V382-L517 HydrophobicContact CG2-CD1 3.98Å; L386-L517 HydrophobicContact CB-CD1 4.14Å; L386-L517 HydrophobicContact CB-CD2 4.21Å; D387-L517 HydrophobicContact CB-CD1 4.29Å; D387-L517 HydrophobicContact CB-CD2 3.99Å; I411-L517 VanDerWaalsContact CD1-C 3.45Å; I411-L517 VanDerWaalsContact CD1-O 3.24Å; I411-L517 WeakPolarHBondContact CD1-O 3.28Å; I411-L517 VanDerWaalsContact CG1-O 3.3Å; I411-L517 WeakPolarHBondContact CG1-O 3.49Å; L414-L517 HydrophobicContact CD1-CD2 3.53Å; W510-L517 PolarHBondContact O-N 3.27Å; W510-L517 VanDerWaalsContact O-N 3.14Å; D513-L517 PolarHBondContact O-N 2.88Å; P514-L517 VanDerWaalsContact O-CD1 3.25Å; P514-L517 WeakPolarHBondContact O-CD1 3.46Å; P514-L517 WeakPolarHBondContact O-CG 3.49Å |
| 518 | G | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 125.2 | 150.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | W510 S516 | W510-G518 PolarHBondContact O-N 2.87Å; S516-G518 VanDerWaalsContact C-N 3.29Å; S516-G518 PolarHBondContact O-N 3.48Å |
| 519 | A | 95 | Very high | 92 | Very high | 11 Ų | 11 | 28.5 Ų | 28.5 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -79 | -39.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R44 T418 H419 W510 | R44-A519 VanDerWaalsContact CD-O 3.23Å; R44-A519 WeakPolarHBondContact CD-O 3.38Å; R44-A519 PolarHBondContact NH1-O 2.98Å; T418-A519 HydrophobicContact CG2-CB 4.26Å; T418-A519 PolarHBondContact OG1-N 3.37Å; T418-A519 VanDerWaalsContact OG1-N 3.11Å; H419-A519 HydrophobicContact CB-CB 4.24Å; H419-A519 WeakPolarHBondContact O-CB 3.43Å; W510-A519 HydrophobicContact CB-CB 3.99Å; W510-A519 HydrophobicContact CG-CB 4Å |
| 520 | Y | 91.9 | Very high | 91.8 | Very high | 54 Ų | 54 | 28.1 Ų | 28.1 | 21% | 0.212 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -135.4 | 151.1 | -177.7 | -58.8 | -90 | 0 | 0 | 0 | 111.2 | Y204 V205 H419 A522 Q562 | Y204-Y520 HydrophobicContact CE1-CE2 4.08Å; V205-Y520 HydrophobicContact CG1-CD2 4.4Å; V205-Y520 HydrophobicContact CG1-CG 4.42Å; V205-Y520 HydrophobicContact CG2-CD2 4.02Å; V205-Y520 HydrophobicContact CG2-CG 4.08Å; H419-Y520 HydrophobicContact CB-CD2 4.07Å; H419-Y520 HydrophobicContact CB-CE2 3.71Å; H419-Y520 AromaticContact CG-CE2 3.97Å; H419-Y520 AromaticContact ND1-CE2 3.76Å; Y520-A522 PolarHBondContact O-N 3.21Å; Y520-Q562 HydrophobicContact CD1-CB 3.91Å; Y520-Q562 WeakPolarHBondContact CD1-O 3.43Å; Y520-Q562 VanDerWaalsContact CE1-O 3.26Å; Y520-Q562 WeakPolarHBondContact CE1-O 3.37Å |
| 521 | T | 92 | Very high | 91.7 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | trans | -87.1 | 94.8 | 170.8 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | V380 L409 R532 E552 Q562 | V380-T521 HydrophobicContact CB-CG2 4.47Å; V380-T521 HydrophobicContact CG1-CG2 3.77Å; L409-T521 HydrophobicContact CB-CG2 3.96Å; L409-T521 HydrophobicContact CD2-CG2 4.2Å; T521-R532 PolarHBondContact O-NH2 2.91Å; T521-E552 PolarHBondContact OG1-OE1 2.85Å; T521-Q562 WeakPolarHBondContact O-CG 3.49Å | ||
| 522 | A | 85.5 | Confident | 91.7 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -97.8 | 153.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V205 N206 G410 Y520 | V205-A522 HydrophobicContact CB-CB 4.29Å; V205-A522 HydrophobicContact CG1-CB 3.59Å; N206-A522 WeakPolarHBondContact ND2-CB 3.23Å; G410-A522 WeakPolarHBondContact CA-O 2.88Å; G410-A522 PolarHBondContact N-O 2.89Å; Y520-A522 PolarHBondContact O-N 3.21Å |
| 523 | G | 84.7 | Confident | 91.7 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -77.3 | 141.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N206 C527 | N206-G523 PolarHBondContact ND2-O 3.37Å; G523-C527 VanDerWaalsContact CA-SG 3.6Å |
| 524 | E | 88.5 | Confident | 91.7 | Very high | 35 Ų | 35 | 29.4 Ų | 29.4 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 171.6 | 164.3 | -63.5 | -57.7 | 122.1 | 0 | 0 | 110.8 | N206 R210 R408 G526 C527 | N206-E524 PolarHBondContact ND2-OE1 3.31Å; R210-E524 WeakPolarHBondContact CG-OE2 3.3Å; R210-E524 IonicContact CZ-OE1 3Å; R210-E524 VanDerWaalsContact CZ-OE1 3.26Å; R210-E524 IonicContact CZ-OE2 2.72Å; R210-E524 IonicContact NE-OE1 3.66Å; R210-E524 PolarHBondContact NE-OE1 3.38Å; R210-E524 IonicContact NE-OE2 2.7Å; R210-E524 PolarHBondContact NE-OE2 3.39Å; R210-E524 IonicContact NH2-OE1 3.98Å; R210-E524 PolarHBondContact NH2-OE1 2.88Å; R408-E524 PolarHBondContact O-N 2.97Å; E524-G526 PolarHBondContact O-N 3.31Å; E524-C527 WeakPolarHBondContact O-CB 3.22Å; E524-C527 PolarHBondContact O-N 2.97Å |
| 525 | V | 84 | Confident | 91.8 | Very high | 67 Ų | 67 | 29.1 Ų | 29.1 | 41% | 0.406 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 124.9 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | T159 | T159-V525 HydrophobicContact CG2-CG2 4.26Š|
| 526 | G | 81.4 | Confident | 91.8 | Very high | 52 Ų | 52 | 29.1 Ų | 29.1 | 54% | 0.536 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -2.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E524 | E524-G526 PolarHBondContact O-N 3.31Š|
| 527 | C | 86.2 | Confident | 91.8 | Very high | 32 Ų | 32 | 31.1 Ų | 31.1 | 22% | 0.216 | 20% | 0.201 | C | C | . | . | trans | -73.2 | 150.4 | 170 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | R408 L409 G523 E524 D531 | R408-C527 HydrophobicContact CB-CB 4.45Å; L409-C527 WeakPolarHBondContact CD2-SG 3.26Å; G523-C527 VanDerWaalsContact CA-SG 3.6Å; E524-C527 WeakPolarHBondContact O-CB 3.22Å; E524-C527 PolarHBondContact O-N 2.97Å; C527-D531 WeakPolarHBondContact CA-OD2 3.3Å | ||
| 528 | S | 88 | Confident | 91.8 | Very high | 57 Ų | 57 | 31.3 Ų | 31.3 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | trans | -142.3 | 173 | 175.5 | 64.8 | 0 | 0 | 0 | 0 | 112.4 | A530 D531 R532 | S528-A530 PolarHBondContact O-N 3.47Å; S528-A530 WeakPolarHBondContact OG-CB 3.37Å; S528-A530 PolarHBondContact OG-N 3Å; S528-D531 PolarHBondContact N-OD2 3.25Å; S528-D531 WeakPolarHBondContact O-CB 3.35Å; S528-D531 PolarHBondContact O-N 2.98Å; S528-D531 PolarHBondContact OG-OD2 3.42Å; S528-R532 PolarHBondContact O-N 3.22Å | ||
| 529 | D | 90.7 | Very high | 91.8 | Very high | 54 Ų | 54 | 31.6 Ų | 31.6 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -24 | 171.8 | -77.7 | -25.9 | 0 | 0 | 0 | 112.5 | D531 R532 Q533 D556 S557 | D529-D531 PolarHBondContact O-N 3.01Å; D529-R532 PolarHBondContact O-N 3.46Å; D529-Q533 WeakPolarHBondContact O-CG 3.49Å; D529-Q533 PolarHBondContact O-N 3.09Å; D529-D556 HydrophobicContact CB-CB 4.19Å; D529-S557 PolarHBondContact OD1-N 3.35Å; D529-S557 WeakPolarHBondContact OD2-CB 3.48Å; D529-S557 PolarHBondContact OD2-OG 3Å |
| 530 | A | 93.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 32.1 Ų | 32.1 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -32.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R401 S528 A534 | R401-A530 PolarHBondContact NH2-O 3.45Å; S528-A530 PolarHBondContact O-N 3.47Å; S528-A530 WeakPolarHBondContact OG-CB 3.37Å; S528-A530 PolarHBondContact OG-N 3Å; A530-A534 WeakPolarHBondContact O-CB 3.27Å; A530-A534 PolarHBondContact O-N 3.35Å |
| 531 | D | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -40.6 | 174.4 | -63.2 | -56.1 | 0 | 0 | 0 | 111.1 | R401 A405 C527 S528 D529 Q533 A534 Y535 | R401-D531 IonicContact CZ-OD1 3.53Å; R401-D531 VanDerWaalsContact CZ-OD1 3.3Å; R401-D531 IonicContact NH1-OD1 3.15Å; R401-D531 PolarHBondContact NH1-OD1 3.3Å; R401-D531 IonicContact NH2-OD1 3.44Å; R401-D531 PolarHBondContact NH2-OD1 3.37Å; A405-D531 HydrophobicContact CB-CB 4Å; A405-D531 WeakPolarHBondContact CB-O 3.46Å; C527-D531 WeakPolarHBondContact CA-OD2 3.3Å; S528-D531 PolarHBondContact N-OD2 3.25Å; S528-D531 WeakPolarHBondContact O-CB 3.35Å; S528-D531 PolarHBondContact O-N 2.98Å; S528-D531 PolarHBondContact OG-OD2 3.42Å; D529-D531 PolarHBondContact O-N 3.01Å; D531-Q533 VanDerWaalsContact C-N 3.34Å; D531-Q533 PolarHBondContact O-N 3.15Å; D531-A534 PolarHBondContact O-N 2.87Å; D531-Y535 WeakPolarHBondContact O-CB 3.49Å; D531-Y535 PolarHBondContact O-N 2.87Å |
| 532 | R | 95.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 174.7 | -60.9 | -172.2 | 175.6 | -78.6 | 7.9 | 112 | L409 T521 S528 D529 Y535 A536 G553 V555 | L409-R532 HydrophobicContact CD1-CG 4.3Å; L409-R532 HydrophobicContact CD2-CG 3.97Å; T521-R532 PolarHBondContact O-NH2 2.91Å; S528-R532 PolarHBondContact O-N 3.22Å; D529-R532 PolarHBondContact O-N 3.46Å; R532-Y535 PolarHBondContact O-N 3.29Å; R532-A536 VanDerWaalsContact O-CB 3.26Å; R532-A536 WeakPolarHBondContact O-CB 3.43Å; R532-A536 PolarHBondContact O-N 3.49Å; R532-G553 PolarHBondContact NH1-O 2.95Å; R532-V555 WeakPolarHBondContact CD-O 3.3Å |
| 533 | Q | 95.5 | Very high | 91.3 | Very high | 118 Ų | 118 | 41.4 Ų | 41.4 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 173.8 | -71.1 | 172 | 2.5 | 0 | 0 | 112.1 | D529 D531 Y535 A536 S537 | D529-Q533 WeakPolarHBondContact O-CG 3.49Å; D529-Q533 PolarHBondContact O-N 3.09Å; D531-Q533 VanDerWaalsContact C-N 3.34Å; D531-Q533 PolarHBondContact O-N 3.15Å; Q533-Y535 VanDerWaalsContact C-N 3.3Å; Q533-Y535 PolarHBondContact O-N 2.85Å; Q533-A536 PolarHBondContact O-N 3.27Å; Q533-S537 PolarHBondContact O-N 3.41Å |
| 534 | A | 96.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 40.9 Ų | 40.9 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R401 K402 A405 A530 D531 S537 | R401-A534 HydrophobicContact CG-CB 3.96Å; K402-A534 PolarHBondContact NZ-O 3.11Å; A405-A534 HydrophobicContact CB-CB 3.99Å; A530-A534 WeakPolarHBondContact O-CB 3.27Å; A530-A534 PolarHBondContact O-N 3.35Å; D531-A534 PolarHBondContact O-N 2.87Å; A534-S537 PolarHBondContact O-OG 2.89Å |
| 535 | Y | 97 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 171.5 | 176.5 | -148.4 | 0 | 0 | 0 | 110.9 | V380 L383 K402 I406 L409 D531 R532 Q533 S537 F549 G553 T554 | V380-Y535 HydrophobicContact CB-CE1 4.33Å; V380-Y535 HydrophobicContact CG2-CE1 4.35Å; L383-Y535 HydrophobicContact CD1-CE2 3.49Å; L383-Y535 VanDerWaalsContact CD1-CE2 3.49Å; L383-Y535 WeakPolarHBondContact CD1-OH 3.22Å; K402-Y535 PolarHBondContact NZ-O 3.46Å; I406-Y535 HydrophobicContact CD1-CD2 4.38Å; I406-Y535 HydrophobicContact CG1-CD2 3.83Å; I406-Y535 HydrophobicContact CG1-CE2 4.18Å; L409-Y535 HydrophobicContact CD1-CD1 3.81Å; L409-Y535 HydrophobicContact CD1-CG 4.18Å; D531-Y535 WeakPolarHBondContact O-CB 3.49Å; D531-Y535 PolarHBondContact O-N 2.87Å; R532-Y535 PolarHBondContact O-N 3.29Å; Q533-Y535 VanDerWaalsContact C-N 3.3Å; Q533-Y535 PolarHBondContact O-N 2.85Å; Y535-S537 PolarHBondContact O-N 2.8Å; Y535-F549 HydrophobicContact CD2-CD1 4.43Å; Y535-F549 AromaticContact CE2-CD1 3.97Å; Y535-F549 HydrophobicContact CE2-CD1 3.97Å; Y535-F549 WeakPolarHBondContact O-CB 3.49Å; Y535-G553 WeakPolarHBondContact CD1-O 3.43Å; Y535-T554 HydrophobicContact CD1-CG2 3.71Å; Y535-T554 HydrophobicContact CD2-CG2 4.44Å; Y535-T554 HydrophobicContact CE1-CG2 3.54Å; Y535-T554 HydrophobicContact CE2-CG2 4.28Å; Y535-T554 HydrophobicContact CG-CG2 4.15Å |
| 536 | A | 97.3 | Very high | 92 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -25.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R532 Q533 S538 T554 | R532-A536 VanDerWaalsContact O-CB 3.26Å; R532-A536 WeakPolarHBondContact O-CB 3.43Å; R532-A536 PolarHBondContact O-N 3.49Å; Q533-A536 PolarHBondContact O-N 3.27Å; A536-S538 PolarHBondContact O-N 3.05Å; A536-T554 HydrophobicContact CB-CG2 4.38Å; A536-T554 WeakPolarHBondContact CB-O 3.41Å |
| 537 | S | 97 | Very high | 92.8 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | trans | -60.6 | 133.1 | -171.2 | 71.6 | 0 | 0 | 0 | 0 | 112.6 | K402 Q533 A534 Y535 | K402-S537 WeakPolarHBondContact CE-O 3.47Å; K402-S537 PolarHBondContact NZ-O 3.19Å; K402-S537 PolarHBondContact NZ-OG 2.91Å; K402-S537 VanDerWaalsContact NZ-OG 3.07Å; Q533-S537 PolarHBondContact O-N 3.41Å; A534-S537 PolarHBondContact O-OG 2.89Å; Y535-S537 PolarHBondContact O-N 2.8Å | ||
| 538 | S | 97.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -67.8 | 154.4 | 172.3 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | A536 L547 | A536-S538 PolarHBondContact O-N 3.05Å; S538-L547 CarbonylContact C-O 3.26Å; S538-L547 VanDerWaalsContact CA-O 3.27Å; S538-L547 WeakPolarHBondContact CA-O 3.48Å; S538-L547 WeakPolarHBondContact CB-O 3.35Å | ||
| 539 | L | 96.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.9 | 177.9 | -60.8 | 175.7 | 0 | 0 | 0 | 110.6 | W305 L398 P399 K402 S541 K546 L547 F549 | W305-L539 HydrophobicContact CE3-CB 4.47Å; W305-L539 HydrophobicContact CH2-CB 3.87Å; W305-L539 HydrophobicContact CH2-CD1 3.95Å; W305-L539 HydrophobicContact CH2-CG 4.43Å; W305-L539 HydrophobicContact CZ2-CD1 4.14Å; W305-L539 HydrophobicContact CZ3-CB 3.72Å; L398-L539 HydrophobicContact CD2-CD1 3.72Å; P399-L539 HydrophobicContact CG-CD1 4.44Å; P399-L539 HydrophobicContact CG-CD2 3.88Å; K402-L539 HydrophobicContact CD-CD1 4.03Å; L539-S541 VanDerWaalsContact C-N 3.32Å; L539-K546 PolarHBondContact O-N 2.92Å; L539-L547 HydrophobicContact CB-CB 4.26Å; L539-L547 PolarHBondContact N-O 3Å; L539-L547 PolarHBondContact O-N 3Å; L539-F549 HydrophobicContact CD1-CE2 4.07Å; L539-F549 HydrophobicContact CD1-CZ 4.4Å; L539-F549 HydrophobicContact CG-CE2 4.26Å |
| 540 | P | 92.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -69.8 | -24 | -2.5 | 27.5 | -35.1 | 0 | 0 | 0 | 113.4 | W305 N307 T309 C544 | W305-P540 HydrophobicContact CZ3-CB 4.28Å; N307-P540 WeakPolarHBondContact OD1-CB 3.4Å; T309-P540 HydrophobicContact CG2-CB 4.09Å; T309-P540 HydrophobicContact CG2-CG 4.46Å; P540-C544 WeakPolarHBondContact CD-O 3.33Å |
| 541 | S | 90.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 25% | 0.245 | 15% | 0.153 | C | C | . | . | trans | -143.3 | 171.1 | 174.4 | 75.6 | 0 | 0 | 0 | 0 | 112.5 | L539 V543 C544 P545 | L539-S541 VanDerWaalsContact C-N 3.32Å; S541-V543 VanDerWaalsContact C-N 3.26Å; S541-V543 PolarHBondContact OG-N 3.2Å; S541-C544 CarbonylContact O-C 3.51Å; S541-C544 PolarHBondContact OG-N 3.25Å; S541-P545 WeakPolarHBondContact O-CA 3.31Å | ||
| 542 | T | 86.3 | Confident | 94.4 | Very high | 109 Ų | 109 | 26.1 Ų | 26.1 | 67% | 0.669 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -74.2 | -16.8 | 171.6 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 543 | V | 84.6 | Confident | 94.3 | Very high | 115 Ų | 115 | 25.9 Ų | 25.9 | 70% | 0.697 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -89.9 | -40.4 | -178 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | S541 P545 | S541-V543 VanDerWaalsContact C-N 3.26Å; S541-V543 PolarHBondContact OG-N 3.2Å; V543-P545 WeakPolarHBondContact O-CD 3.45Å |
| 544 | C | 84.7 | Confident | 94.4 | Very high | 14 Ų | 14 | 20.8 Ų | 20.8 | 10% | 0.095 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -122.5 | 81.1 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | F311 P540 S541 | F311-C544 HydrophobicContact CE2-CB 4.21Å; P540-C544 WeakPolarHBondContact CD-O 3.33Å; S541-C544 CarbonylContact O-C 3.51Å; S541-C544 PolarHBondContact OG-N 3.25Å |
| 545 | P | 93 | Very high | 94.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137 | 179.4 | 33.3 | -34.3 | 0 | 0 | 0 | 110.9 | F373 S541 V543 L548 | F373-P545 WeakPolarHBondContact CD1-O 3.19Å; F373-P545 HydrophobicContact CE1-CG 4.48Å; F373-P545 WeakPolarHBondContact CE1-O 3.45Å; S541-P545 WeakPolarHBondContact O-CA 3.31Å; V543-P545 WeakPolarHBondContact O-CD 3.45Å; P545-L548 HydrophobicContact CB-CD1 4.11Å; P545-L548 HydrophobicContact CB-CD2 4.13Å; P545-L548 HydrophobicContact CB-CG 3.98Å; P545-L548 HydrophobicContact CG-CD2 4.37Å |
| 546 | K | 93.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -43.6 | 164.9 | -64.2 | -71.7 | -179.7 | 169.6 | 0 | 110.3 | D315 N343 V345 R372 F373 C374 L539 | D315-K546 IonicContact OD1-NZ 3.89Å; D315-K546 IonicContact OD2-NZ 3.72Å; D315-K546 PolarHBondContact OD2-NZ 2.88Å; N343-K546 VanDerWaalsContact ND2-CE 3.33Å; N343-K546 WeakPolarHBondContact ND2-CE 3.39Å; N343-K546 PolarHBondContact ND2-NZ 2.81Å; N343-K546 PolarHBondContact O-NZ 3.46Å; V345-K546 HydrophobicContact CG2-CB 4.17Å; R372-K546 WeakPolarHBondContact O-CD 3.23Å; F373-K546 WeakPolarHBondContact CA-O 3.5Å; C374-K546 PolarHBondContact N-O 2.82Å; L539-K546 PolarHBondContact O-N 2.92Å |
| 547 | L | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.8 | 171.2 | -53.4 | -175.3 | 0 | 0 | 0 | 110.4 | V303 W305 V345 C374 I376 F394 S538 L539 F549 | V303-L547 HydrophobicContact CG1-CD1 4.48Å; V303-L547 HydrophobicContact CG1-CD2 4.11Å; W305-L547 HydrophobicContact CB-CD1 4.21Å; W305-L547 HydrophobicContact CB-CD2 4.18Å; W305-L547 HydrophobicContact CB-CG 4.22Å; W305-L547 HydrophobicContact CD2-CD1 3.51Å; W305-L547 HydrophobicContact CD2-CG 4.01Å; W305-L547 HydrophobicContact CE3-CD1 4.02Å; W305-L547 HydrophobicContact CE3-CG 4.12Å; W305-L547 HydrophobicContact CG-CD1 3.56Å; W305-L547 HydrophobicContact CG-CD2 4.43Å; W305-L547 HydrophobicContact CG-CG 4.05Å; V345-L547 HydrophobicContact CG1-CD2 3.87Å; V345-L547 HydrophobicContact CG2-CD2 3.88Å; C374-L547 HydrophobicContact CB-CD2 3.8Å; C374-L547 CarbonylContact O-C 3.58Å; C374-L547 WeakPolarHBondContact O-CA 3.43Å; I376-L547 HydrophobicContact CD1-CB 4.22Å; I376-L547 HydrophobicContact CD1-CD1 4.3Å; I376-L547 HydrophobicContact CD1-CD2 4.46Å; F394-L547 HydrophobicContact CD1-CD1 4.15Å; F394-L547 HydrophobicContact CE1-CD1 4.31Å; S538-L547 CarbonylContact C-O 3.26Å; S538-L547 VanDerWaalsContact CA-O 3.27Å; S538-L547 WeakPolarHBondContact CA-O 3.48Å; S538-L547 WeakPolarHBondContact CB-O 3.35Å; L539-L547 HydrophobicContact CB-CB 4.26Å; L539-L547 PolarHBondContact N-O 3Å; L539-L547 PolarHBondContact O-N 3Å; L547-F549 HydrophobicContact CB-CE2 4.23Å |
| 548 | L | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.7 | 179.6 | -66.2 | 102.1 | 0 | 0 | 0 | 109.2 | F373 C374 I375 I376 P545 R574 D577 V578 | F373-L548 HydrophobicContact CB-CD1 4.21Å; F373-L548 HydrophobicContact CD1-CD1 4.31Å; C374-L548 PolarHBondContact O-N 2.7Å; I375-L548 CarbonylContact C-O 3.59Å; I375-L548 WeakPolarHBondContact CA-O 3.42Å; I375-L548 HydrophobicContact CB-CB 4.45Å; I375-L548 HydrophobicContact CG1-CB 4.15Å; I375-L548 HydrophobicContact CG1-CD1 4.36Å; I375-L548 HydrophobicContact CG2-CB 4.31Å; I376-L548 PolarHBondContact N-O 2.93Å; P545-L548 HydrophobicContact CB-CD1 4.11Å; P545-L548 HydrophobicContact CB-CD2 4.13Å; P545-L548 HydrophobicContact CB-CG 3.98Å; P545-L548 HydrophobicContact CG-CD2 4.37Å; L548-R574 HydrophobicContact CB-CB 4.31Å; L548-R574 HydrophobicContact CB-CG 4.19Å; L548-R574 HydrophobicContact CD2-CB 4.23Å; L548-D577 HydrophobicContact CD2-CB 3.94Å; L548-V578 HydrophobicContact CD1-CG2 3.9Å; L548-V578 HydrophobicContact CD2-CG2 4.03Å |
| 549 | F | 98.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.9 | -177.8 | -64.1 | -96.7 | 0 | 0 | 0 | 110.8 | I376 L383 L398 K402 Y535 L539 L547 T554 R574 | I376-F549 HydrophobicContact CB-CD1 3.91Å; I376-F549 HydrophobicContact CB-CE1 4.02Å; I376-F549 HydrophobicContact CD1-CD1 4.16Å; I376-F549 HydrophobicContact CD1-CE1 3.47Å; I376-F549 VanDerWaalsContact CD1-CE1 3.47Å; I376-F549 HydrophobicContact CD1-CE2 4.21Å; I376-F549 HydrophobicContact CD1-CZ 3.5Å; I376-F549 VanDerWaalsContact CD1-CZ 3.5Å; I376-F549 HydrophobicContact CG1-CE1 4.37Å; I376-F549 HydrophobicContact CG2-CD1 4.05Å; I376-F549 HydrophobicContact CG2-CE1 4.03Å; I376-F549 WeakPolarHBondContact O-CA 3.43Å; L383-F549 HydrophobicContact CD1-CD1 4.4Å; L383-F549 HydrophobicContact CD1-CE1 4.37Å; L398-F549 HydrophobicContact CD2-CZ 4.14Å; K402-F549 HydrophobicContact CD-CE1 4.38Å; K402-F549 HydrophobicContact CD-CE2 3.92Å; K402-F549 HydrophobicContact CD-CZ 3.83Å; Y535-F549 HydrophobicContact CD2-CD1 4.43Å; Y535-F549 AromaticContact CE2-CD1 3.97Å; Y535-F549 HydrophobicContact CE2-CD1 3.97Å; Y535-F549 WeakPolarHBondContact O-CB 3.49Å; L539-F549 HydrophobicContact CD1-CE2 4.07Å; L539-F549 HydrophobicContact CD1-CZ 4.4Å; L539-F549 HydrophobicContact CG-CE2 4.26Å; L547-F549 HydrophobicContact CB-CE2 4.23Å; F549-T554 HydrophobicContact CB-CG2 4.17Å; F549-R574 WeakPolarHBondContact O-CD 3.24Å; F549-R574 WeakPolarHBondContact O-CG 2.97Å; F549-R574 PolarHBondContact O-NH1 3.25Å |
| 550 | A | 98.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -143 | 160.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I375 I376 T377 R574 | I375-A550 HydrophobicContact CG2-CB 4.4Å; I376-A550 PolarHBondContact O-N 3.5Å; T377-A550 WeakPolarHBondContact CA-O 3.27Å; T377-A550 HydrophobicContact CG2-CB 3.99Å; A550-R574 HydrophobicContact CB-CB 4.48Å; A550-R574 HydrophobicContact CB-CG 3.75Å | ||
| 551 | G | 97.5 | Very high | 88.6 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 134.5 | 166.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G553 T554 S570 | G551-G553 PolarHBondContact O-N 2.94Å; G551-G553 VanDerWaalsContact O-N 3.07Å; G551-T554 PolarHBondContact O-N 3.14Å; G551-T554 PolarHBondContact O-OG1 3.39Å; G551-S570 PolarHBondContact N-OG 3.24Å; G551-S570 PolarHBondContact O-OG 3.1Å |
| 552 | E | 94.6 | Very high | 88.3 | Confident | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -63.6 | -20.4 | -177.4 | 82.7 | -61.7 | 163.9 | 0 | 0 | 113.1 | R44 T521 T554 A567 | R44-E552 IonicContact CZ-OE1 3.26Å; R44-E552 VanDerWaalsContact CZ-OE1 3.29Å; R44-E552 IonicContact CZ-OE2 2.67Å; R44-E552 IonicContact NH1-OE1 3.65Å; R44-E552 PolarHBondContact NH1-OE1 2.86Å; R44-E552 IonicContact NH1-OE2 3.64Å; R44-E552 IonicContact NH2-OE1 3.29Å; R44-E552 PolarHBondContact NH2-OE1 3.42Å; R44-E552 IonicContact NH2-OE2 3.01Å; R44-E552 PolarHBondContact NH2-OE2 3.28Å; T521-E552 PolarHBondContact OG1-OE1 2.85Å; E552-T554 VanDerWaalsContact C-N 3.32Å; E552-A567 HydrophobicContact CB-CB 4.1Å |
| 553 | G | 94 | Very high | 88.3 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -70.5 | -25.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R532 Y535 G551 V555 | R532-G553 PolarHBondContact NH1-O 2.95Å; Y535-G553 WeakPolarHBondContact CD1-O 3.43Å; G551-G553 PolarHBondContact O-N 2.94Å; G551-G553 VanDerWaalsContact O-N 3.07Å; G553-V555 VanDerWaalsContact C-N 3.3Å |
| 554 | T | 96.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 19 Ų | 19 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -86.3 | -1.7 | -179.6 | 69 | 0 | 0 | 0 | 0 | 113 | Y535 A536 F549 G551 E552 | Y535-T554 HydrophobicContact CD1-CG2 3.71Å; Y535-T554 HydrophobicContact CD2-CG2 4.44Å; Y535-T554 HydrophobicContact CE1-CG2 3.54Å; Y535-T554 HydrophobicContact CE2-CG2 4.28Å; Y535-T554 HydrophobicContact CG-CG2 4.15Å; A536-T554 HydrophobicContact CB-CG2 4.38Å; A536-T554 WeakPolarHBondContact CB-O 3.41Å; F549-T554 HydrophobicContact CB-CG2 4.17Å; G551-T554 PolarHBondContact O-N 3.14Å; G551-T554 PolarHBondContact O-OG1 3.39Å; E552-T554 VanDerWaalsContact C-N 3.32Å |
| 555 | V | 92.3 | Very high | 89 | Confident | 17 Ų | 17 | 18.8 Ų | 18.8 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -102.5 | 128.8 | -174.2 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | R532 G553 G559 Q561 G566 | R532-V555 WeakPolarHBondContact CD-O 3.3Å; G553-V555 VanDerWaalsContact C-N 3.3Å; V555-G559 WeakPolarHBondContact CG1-O 3.01Å; V555-Q561 VanDerWaalsContact O-CB 3.27Å; V555-Q561 WeakPolarHBondContact O-CB 3.45Å; V555-G566 WeakPolarHBondContact CG2-O 3.31Å |
| 556 | D | 87.1 | Confident | 89 | Confident | 50 Ų | 50 | 18.6 Ų | 18.6 | 27% | 0.267 | 12% | 0.116 | S | C | . | . | trans | -69.1 | 173.8 | 179.7 | 69.4 | 33.5 | 0 | 0 | 0 | 113.8 | D529 S558 G559 Q561 | D529-D556 HydrophobicContact CB-CB 4.19Å; D556-S558 PolarHBondContact O-N 3.32Å; D556-S558 WeakPolarHBondContact OD1-CA 3.27Å; D556-S558 WeakPolarHBondContact OD1-CB 3.45Å; D556-S558 PolarHBondContact OD1-N 2.87Å; D556-S558 PolarHBondContact OD1-OG 2.87Å; D556-G559 PolarHBondContact O-N 2.85Å; D556-G559 VanDerWaalsContact O-N 3.16Å; D556-G559 PolarHBondContact OD1-N 3.34Å; D556-Q561 WeakPolarHBondContact O-CB 3.49Å; D556-Q561 PolarHBondContact O-N 2.69Å | ||
| 557 | S | 79.6 | Confident | 89.1 | Confident | 39 Ų | 39 | 18.4 Ų | 18.4 | 27% | 0.273 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -15.1 | -179 | 67.4 | 0 | 0 | 0 | 0 | 115.5 | D529 | D529-S557 PolarHBondContact OD1-N 3.35Å; D529-S557 WeakPolarHBondContact OD2-CB 3.48Å; D529-S557 PolarHBondContact OD2-OG 3Å |
| 558 | S | 71.8 | Confident | 89.1 | Confident | 60 Ų | 60 | 18.4 Ų | 18.4 | 42% | 0.42 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -20.7 | 178.9 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | D556 | D556-S558 PolarHBondContact O-N 3.32Å; D556-S558 WeakPolarHBondContact OD1-CA 3.27Å; D556-S558 WeakPolarHBondContact OD1-CB 3.45Å; D556-S558 PolarHBondContact OD1-N 2.87Å; D556-S558 PolarHBondContact OD1-OG 2.87Å |
| 559 | G | 70.4 | Confident | 89 | Confident | 33 Ų | 33 | 20 Ų | 20 | 34% | 0.34 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116 | V555 D556 | V555-G559 WeakPolarHBondContact CG1-O 3.01Å; D556-G559 PolarHBondContact O-N 2.85Å; D556-G559 VanDerWaalsContact O-N 3.16Å; D556-G559 PolarHBondContact OD1-N 3.34Å |
| 560 | G | 74.2 | Confident | 88.9 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 41.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C563 H565 | G560-C563 WeakPolarHBondContact O-CB 3.35Å; G560-C563 PolarHBondContact O-N 3.24Å; G560-C563 VanDerWaalsContact O-N 3.15Å; G560-H565 WeakPolarHBondContact CA-NE2 3.45Å |
| 561 | Q | 77.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 20.2 Ų | 20.2 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 146.3 | 167.5 | 69.9 | 176.2 | 9.4 | 0 | 0 | 110.4 | V555 D556 C563 | V555-Q561 VanDerWaalsContact O-CB 3.27Å; V555-Q561 WeakPolarHBondContact O-CB 3.45Å; D556-Q561 WeakPolarHBondContact O-CB 3.49Å; D556-Q561 PolarHBondContact O-N 2.69Å; Q561-C563 PolarHBondContact O-N 2.98Å; Q561-C563 VanDerWaalsContact O-N 3.12Å; Q561-C563 PolarHBondContact O-SG 3.18Å |
| 562 | Q | 82.7 | Confident | 88.9 | Confident | 43 Ų | 43 | 20.4 Ų | 20.4 | 20% | 0.201 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 9.5 | -179.8 | -51.8 | 168.2 | -36.6 | 0 | 0 | 114.8 | Y520 T521 | Y520-Q562 HydrophobicContact CD1-CB 3.91Å; Y520-Q562 WeakPolarHBondContact CD1-O 3.43Å; Y520-Q562 VanDerWaalsContact CE1-O 3.26Å; Y520-Q562 WeakPolarHBondContact CE1-O 3.37Å; T521-Q562 WeakPolarHBondContact O-CG 3.49Å |
| 563 | C | 87.5 | Confident | 89.1 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 10% | 0.095 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -118.3 | 154.6 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | W107 G560 Q561 H565 G566 A567 | W107-C563 WeakPolarHBondContact CH2-SG 3.42Å; G560-C563 WeakPolarHBondContact O-CB 3.35Å; G560-C563 PolarHBondContact O-N 3.24Å; G560-C563 VanDerWaalsContact O-N 3.15Å; Q561-C563 PolarHBondContact O-N 2.98Å; Q561-C563 VanDerWaalsContact O-N 3.12Å; Q561-C563 PolarHBondContact O-SG 3.18Å; C563-H565 WeakPolarHBondContact CB-CE1 3.45Å; C563-H565 VanDerWaalsContact CB-ND1 3.3Å; C563-H565 WeakPolarHBondContact CB-ND1 3.37Å; C563-H565 PolarHBondContact O-N 2.91Å; C563-G566 PolarHBondContact O-N 3.22Å; C563-A567 PolarHBondContact O-N 3.11Å |
| 564 | T | 92.2 | Very high | 89.3 | Confident | 29 Ų | 29 | 22.4 Ų | 22.4 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 177.7 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | I45 A67 L82 F281 A567 F568 | I45-T564 HydrophobicContact CD1-CG2 4.11Å; I45-T564 HydrophobicContact CG1-CG2 4.28Å; A67-T564 HydrophobicContact CB-CG2 3.56Å; L82-T564 VanDerWaalsContact CD1-OG1 3.3Å; L82-T564 WeakPolarHBondContact CD1-OG1 3.47Å; F281-T564 HydrophobicContact CE1-CG2 3.97Å; F281-T564 HydrophobicContact CZ-CG2 4.23Å; T564-A567 PolarHBondContact O-N 3.3Å; T564-F568 WeakPolarHBondContact O-CB 3.32Å; T564-F568 PolarHBondContact O-N 3.2Å |
| 565 | H | 91.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 21.9 Ų | 21.9 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.4 | -38.2 | 175.9 | 66.1 | -87.4 | 0 | 0 | 0 | 112 | P81 L82 G560 C563 F568 S569 | P81-H565 HydrophobicContact CG-CB 4.12Å; L82-H565 HydrophobicContact CD1-CB 4.34Å; L82-H565 HydrophobicContact CG-CB 4.3Å; G560-H565 WeakPolarHBondContact CA-NE2 3.45Å; C563-H565 WeakPolarHBondContact CB-CE1 3.45Å; C563-H565 VanDerWaalsContact CB-ND1 3.3Å; C563-H565 WeakPolarHBondContact CB-ND1 3.37Å; C563-H565 PolarHBondContact O-N 2.91Å; H565-F568 PolarHBondContact O-N 3.36Å; H565-S569 WeakPolarHBondContact O-CB 3.28Å; H565-S569 PolarHBondContact O-N 3.25Å; H565-S569 PolarHBondContact O-OG 3.02Å; H565-S569 VanDerWaalsContact O-OG 3.08Å |
| 566 | G | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V555 C563 S569 S570 | V555-G566 WeakPolarHBondContact CG2-O 3.31Å; C563-G566 PolarHBondContact O-N 3.22Å; G566-S569 PolarHBondContact O-N 2.81Å; G566-S570 WeakPolarHBondContact O-CB 3.35Å; G566-S570 PolarHBondContact O-N 3.03Å; G566-S570 PolarHBondContact O-OG 2.87Å |
| 567 | A | 96.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.033 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I16 S17 E552 C563 T564 S569 S570 G571 | I16-A567 HydrophobicContact CG2-CB 3.56Å; S17-A567 WeakPolarHBondContact CA-O 3.5Å; S17-A567 VanDerWaalsContact CB-O 3.23Å; S17-A567 WeakPolarHBondContact CB-O 3.49Å; E552-A567 HydrophobicContact CB-CB 4.1Å; C563-A567 PolarHBondContact O-N 3.11Å; T564-A567 PolarHBondContact O-N 3.3Å; A567-S569 PolarHBondContact O-N 3.26Å; A567-S570 PolarHBondContact O-N 2.97Å; A567-S570 PolarHBondContact O-OG 3.3Å; A567-G571 PolarHBondContact O-N 3.28Å; A567-G571 VanDerWaalsContact O-N 3.12Å |
| 568 | F | 97.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.1 | -53.5 | 176.5 | 175.9 | -88.4 | 0 | 0 | 0 | 111.7 | I16 A20 P81 L82 L288 T564 H565 S570 G571 V572 I594 I595 L598 | I16-F568 HydrophobicContact CD1-CB 4.28Å; I16-F568 HydrophobicContact CG1-CB 4.25Å; I16-F568 HydrophobicContact CG1-CD2 4.25Å; A20-F568 HydrophobicContact CB-CD2 3.53Å; A20-F568 HydrophobicContact CB-CE2 3.63Å; A20-F568 HydrophobicContact CB-CG 4.23Å; A20-F568 HydrophobicContact CB-CZ 4.41Å; P81-F568 HydrophobicContact CB-CD1 3.87Å; P81-F568 HydrophobicContact CB-CE1 3.83Å; P81-F568 HydrophobicContact CG-CD1 3.83Å; P81-F568 HydrophobicContact CG-CE1 4.29Å; L82-F568 HydrophobicContact CD2-CB 4.19Å; L82-F568 HydrophobicContact CD2-CD2 3.99Å; L82-F568 HydrophobicContact CD2-CG 4.02Å; L288-F568 HydrophobicContact CD1-CD2 4.12Å; L288-F568 HydrophobicContact CD1-CE2 4.17Å; L288-F568 HydrophobicContact CD2-CE2 4.04Å; T564-F568 WeakPolarHBondContact O-CB 3.32Å; T564-F568 PolarHBondContact O-N 3.2Å; H565-F568 PolarHBondContact O-N 3.36Å; F568-S570 VanDerWaalsContact C-N 3.32Å; F568-S570 PolarHBondContact O-N 3.41Å; F568-G571 PolarHBondContact O-N 2.92Å; F568-G571 VanDerWaalsContact O-N 3.12Å; F568-V572 HydrophobicContact CD1-CG2 4.2Å; F568-V572 HydrophobicContact CE1-CG2 3.7Å; F568-V572 HydrophobicContact CZ-CG2 3.87Å; F568-V572 PolarHBondContact O-N 2.86Å; F568-I594 HydrophobicContact CE1-CG2 4.49Å; F568-I595 HydrophobicContact CE1-CD1 3.8Å; F568-I595 HydrophobicContact CZ-CD1 3.58Å; F568-L598 HydrophobicContact CE2-CD1 4.43Å; F568-L598 HydrophobicContact CZ-CD1 3.95Å |
| 569 | S | 95.9 | Very high | 92.1 | Very high | 33 Ų | 33 | 16.1 Ų | 16.1 | 23% | 0.231 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | -178.6 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | H565 G566 A567 G571 V572 D573 | H565-S569 WeakPolarHBondContact O-CB 3.28Å; H565-S569 PolarHBondContact O-N 3.25Å; H565-S569 PolarHBondContact O-OG 3.02Å; H565-S569 VanDerWaalsContact O-OG 3.08Å; G566-S569 PolarHBondContact O-N 2.81Å; A567-S569 PolarHBondContact O-N 3.26Å; S569-G571 VanDerWaalsContact C-N 3.32Å; S569-G571 PolarHBondContact O-N 3.25Å; S569-V572 PolarHBondContact O-N 2.64Å; S569-D573 WeakPolarHBondContact O-CB 3.31Å; S569-D573 VanDerWaalsContact O-CG 3.31Å; S569-D573 PolarHBondContact O-N 2.93Å |
| 570 | S | 97.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | 176.1 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | G551 G566 A567 F568 D573 R574 | G551-S570 PolarHBondContact N-OG 3.24Å; G551-S570 PolarHBondContact O-OG 3.1Å; G566-S570 WeakPolarHBondContact O-CB 3.35Å; G566-S570 PolarHBondContact O-N 3.03Å; G566-S570 PolarHBondContact O-OG 2.87Å; A567-S570 PolarHBondContact O-N 2.97Å; A567-S570 PolarHBondContact O-OG 3.3Å; F568-S570 VanDerWaalsContact C-N 3.32Å; F568-S570 PolarHBondContact O-N 3.41Å; S570-D573 PolarHBondContact O-N 3.35Å; S570-R574 WeakPolarHBondContact O-CG 3.16Å; S570-R574 PolarHBondContact O-N 2.8Å; S570-R574 VanDerWaalsContact O-N 3.1Å |
| 571 | G | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S17 A21 A567 F568 S569 D573 R574 A575 | S17-G571 WeakPolarHBondContact O-CA 3.1Å; A21-G571 WeakPolarHBondContact CB-O 3.36Å; A567-G571 PolarHBondContact O-N 3.28Å; A567-G571 VanDerWaalsContact O-N 3.12Å; F568-G571 PolarHBondContact O-N 2.92Å; F568-G571 VanDerWaalsContact O-N 3.12Å; S569-G571 VanDerWaalsContact C-N 3.32Å; S569-G571 PolarHBondContact O-N 3.25Å; G571-D573 VanDerWaalsContact C-N 3.32Å; G571-D573 PolarHBondContact O-N 3.23Å; G571-R574 PolarHBondContact O-N 2.94Å; G571-A575 PolarHBondContact O-N 2.92Å |
| 572 | V | 98.4 | Very high | 94.6 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | 172.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | A20 L24 F568 S569 R574 A575 L576 I594 | A20-V572 HydrophobicContact CB-CG2 4.17Å; L24-V572 HydrophobicContact CD2-CG1 4.18Å; F568-V572 HydrophobicContact CD1-CG2 4.2Å; F568-V572 HydrophobicContact CE1-CG2 3.7Å; F568-V572 HydrophobicContact CZ-CG2 3.87Å; F568-V572 PolarHBondContact O-N 2.86Å; S569-V572 PolarHBondContact O-N 2.64Å; V572-R574 VanDerWaalsContact C-N 3.33Å; V572-R574 PolarHBondContact O-N 3.49Å; V572-A575 PolarHBondContact O-N 3.32Å; V572-L576 HydrophobicContact CG1-CD1 3.78Å; V572-L576 HydrophobicContact CG1-CG 4.3Å; V572-L576 VanDerWaalsContact O-CG 3.29Å; V572-L576 WeakPolarHBondContact O-CG 3.37Å; V572-L576 PolarHBondContact O-N 3.04Å; V572-I594 HydrophobicContact CG1-CD1 4.26Å; V572-I594 HydrophobicContact CG1-CG1 3.87Å; V572-I594 HydrophobicContact CG2-CG1 4.3Å |
| 573 | D | 97 | Very high | 94.9 | Very high | 26 Ų | 26 | 20.6 Ų | 20.6 | 14% | 0.139 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | -178.8 | -77.6 | -8.5 | 0 | 0 | 0 | 111.8 | S569 S570 G571 L576 D577 R692 | S569-D573 WeakPolarHBondContact O-CB 3.31Å; S569-D573 VanDerWaalsContact O-CG 3.31Å; S569-D573 PolarHBondContact O-N 2.93Å; S570-D573 PolarHBondContact O-N 3.35Å; G571-D573 VanDerWaalsContact C-N 3.32Å; G571-D573 PolarHBondContact O-N 3.23Å; D573-L576 PolarHBondContact O-N 2.7Å; D573-D577 PolarHBondContact O-N 2.71Å; D573-R692 IonicContact OD1-CZ 2.88Å; D573-R692 IonicContact OD1-NH1 2.97Å; D573-R692 IonicContact OD1-NH2 3.58Å; D573-R692 PolarHBondContact OD1-NH2 3.43Å; D573-R692 IonicContact OD2-CZ 3.56Å; D573-R692 IonicContact OD2-NH1 2.74Å; D573-R692 PolarHBondContact OD2-NH1 2.96Å; D573-R692 IonicContact OD2-NH2 2.72Å; D573-R692 PolarHBondContact OD2-NH2 2.98Å |
| 574 | R | 98.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 13% | 0.132 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.7 | -37.7 | 175.7 | -67.2 | -56.2 | 83.3 | 71.6 | 3.9 | 113.1 | I375 L548 F549 A550 S570 G571 V572 L576 D577 V578 | I375-R574 HydrophobicContact CD1-CB 4.2Å; I375-R574 HydrophobicContact CG2-CB 3.99Å; I375-R574 HydrophobicContact CG2-CG 4.31Å; L548-R574 HydrophobicContact CB-CB 4.31Å; L548-R574 HydrophobicContact CB-CG 4.19Å; L548-R574 HydrophobicContact CD2-CB 4.23Å; F549-R574 WeakPolarHBondContact O-CD 3.24Å; F549-R574 WeakPolarHBondContact O-CG 2.97Å; F549-R574 PolarHBondContact O-NH1 3.25Å; A550-R574 HydrophobicContact CB-CB 4.48Å; A550-R574 HydrophobicContact CB-CG 3.75Å; S570-R574 WeakPolarHBondContact O-CG 3.16Å; S570-R574 PolarHBondContact O-N 2.8Å; S570-R574 VanDerWaalsContact O-N 3.1Å; G571-R574 PolarHBondContact O-N 2.94Å; V572-R574 VanDerWaalsContact C-N 3.33Å; V572-R574 PolarHBondContact O-N 3.49Å; R574-L576 VanDerWaalsContact C-N 3.34Å; R574-D577 IonicContact CZ-OD2 3.06Å; R574-D577 VanDerWaalsContact CZ-OD2 3.29Å; R574-D577 IonicContact NE-OD2 2.91Å; R574-D577 PolarHBondContact NE-OD2 3Å; R574-D577 IonicContact NH2-OD2 3.43Å; R574-D577 PolarHBondContact NH2-OD2 2.91Å; R574-D577 PolarHBondContact O-N 3.08Å; R574-V578 PolarHBondContact O-N 2.95Å |
| 575 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A21 L24 L25 G571 V572 D577 V578 L579 | A21-A575 HydrophobicContact CB-CB 4.07Å; L24-A575 HydrophobicContact CB-CB 4.19Å; L24-A575 HydrophobicContact CD2-CB 3.81Å; L24-A575 HydrophobicContact CG-CB 4.28Å; L25-A575 HydrophobicContact CD1-CB 4.03Å; L25-A575 HydrophobicContact CD2-CB 3.99Å; L25-A575 HydrophobicContact CG-CB 3.71Å; G571-A575 PolarHBondContact O-N 2.92Å; V572-A575 PolarHBondContact O-N 3.32Å; A575-D577 VanDerWaalsContact C-N 3.31Å; A575-D577 PolarHBondContact O-N 2.87Å; A575-V578 PolarHBondContact O-N 3.46Å; A575-L579 WeakPolarHBondContact O-CG 3.32Å; A575-L579 PolarHBondContact O-N 2.57Å |
| 576 | L | 97.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 174.3 | -64.7 | 168.7 | 0 | 0 | 0 | 112.2 | L24 V572 D573 R574 L579 D580 L589 R590 | L24-L576 HydrophobicContact CD2-CD2 4.02Å; L24-L576 HydrophobicContact CD2-CG 4.09Å; V572-L576 HydrophobicContact CG1-CD1 3.78Å; V572-L576 HydrophobicContact CG1-CG 4.3Å; V572-L576 VanDerWaalsContact O-CG 3.29Å; V572-L576 WeakPolarHBondContact O-CG 3.37Å; V572-L576 PolarHBondContact O-N 3.04Å; D573-L576 PolarHBondContact O-N 2.7Å; R574-L576 VanDerWaalsContact C-N 3.34Å; L576-L579 HydrophobicContact CD2-CD1 4.44Å; L576-L579 PolarHBondContact O-N 2.75Å; L576-D580 WeakPolarHBondContact O-CB 3.43Å; L576-D580 PolarHBondContact O-N 3.29Å; L576-L589 HydrophobicContact CD2-CB 3.64Å; L576-R590 HydrophobicContact CB-CG 4.21Å; L576-R590 HydrophobicContact CD1-CG 4.11Å; L576-R590 HydrophobicContact CD2-CG 4.15Å; L576-R590 HydrophobicContact CG-CG 4.39Å; L576-R590 PolarHBondContact O-NH2 3.4Å |
| 577 | D | 97.2 | Very high | 94.6 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -39 | 174.1 | -64.1 | -24.9 | 0 | 0 | 0 | 111.9 | L548 D573 R574 A575 D580 C581 R590 | L548-D577 HydrophobicContact CD2-CB 3.94Å; D573-D577 PolarHBondContact O-N 2.71Å; R574-D577 IonicContact CZ-OD2 3.06Å; R574-D577 VanDerWaalsContact CZ-OD2 3.29Å; R574-D577 IonicContact NE-OD2 2.91Å; R574-D577 PolarHBondContact NE-OD2 3Å; R574-D577 IonicContact NH2-OD2 3.43Å; R574-D577 PolarHBondContact NH2-OD2 2.91Å; R574-D577 PolarHBondContact O-N 3.08Å; A575-D577 VanDerWaalsContact C-N 3.31Å; A575-D577 PolarHBondContact O-N 2.87Å; D577-D580 PolarHBondContact O-N 3.12Å; D577-C581 PolarHBondContact O-N 3.39Å; D577-R590 IonicContact OD1-CZ 3.63Å; D577-R590 IonicContact OD1-NH1 2.77Å; D577-R590 IonicContact OD1-NH2 3.6Å; D577-R590 PolarHBondContact OD1-NH2 3.39Å |
| 578 | V | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -46.8 | 173.3 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | V9 L25 L30 F373 I375 L548 R574 A575 D580 C581 I582 | V9-V578 HydrophobicContact CG2-CG1 3.86Å; L25-V578 HydrophobicContact CD2-CB 4.11Å; L25-V578 HydrophobicContact CD2-CG1 3.98Å; L30-V578 HydrophobicContact CD1-CG1 4.43Å; F373-V578 HydrophobicContact CB-CG2 4.06Å; F373-V578 HydrophobicContact CD1-CG2 4.24Å; F373-V578 HydrophobicContact CD2-CG1 3.77Å; F373-V578 HydrophobicContact CE2-CG1 4.1Å; F373-V578 HydrophobicContact CG-CG1 4.05Å; F373-V578 HydrophobicContact CG-CG2 4.05Å; I375-V578 HydrophobicContact CD1-CG2 4.31Å; L548-V578 HydrophobicContact CD1-CG2 3.9Å; L548-V578 HydrophobicContact CD2-CG2 4.03Å; R574-V578 PolarHBondContact O-N 2.95Å; A575-V578 PolarHBondContact O-N 3.46Å; V578-D580 VanDerWaalsContact C-N 3.28Å; V578-D580 PolarHBondContact O-N 3.46Å; V578-C581 WeakPolarHBondContact O-CB 3.34Å; V578-C581 PolarHBondContact O-N 3.34Å; V578-C581 VanDerWaalsContact O-N 3.13Å; V578-I582 HydrophobicContact CG1-CD1 3.78Å; V578-I582 HydrophobicContact CG1-CG1 4.43Å; V578-I582 PolarHBondContact O-N 3.08Å |
| 579 | L | 96 | Very high | 94.3 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 178.1 | -69.8 | 170.2 | 0 | 0 | 0 | 111.9 | L25 E28 L30 A575 L576 C581 Q583 C587 L589 | L25-L579 HydrophobicContact CD2-CD2 4.28Å; L25-L579 HydrophobicContact CD2-CG 4.04Å; E28-L579 HydrophobicContact CB-CD2 3.83Å; E28-L579 HydrophobicContact CG-CD1 3.96Å; E28-L579 HydrophobicContact CG-CD2 4.1Å; L30-L579 HydrophobicContact CD1-CD2 3.89Å; A575-L579 WeakPolarHBondContact O-CG 3.32Å; A575-L579 PolarHBondContact O-N 2.57Å; L576-L579 HydrophobicContact CD2-CD1 4.44Å; L576-L579 PolarHBondContact O-N 2.75Å; L579-C581 VanDerWaalsContact C-N 3.31Å; L579-C581 PolarHBondContact O-N 2.94Å; L579-Q583 VanDerWaalsContact O-CB 3.27Å; L579-Q583 WeakPolarHBondContact O-CB 3.44Å; L579-Q583 VanDerWaalsContact O-CG 3.22Å; L579-Q583 WeakPolarHBondContact O-CG 3.11Å; L579-Q583 PolarHBondContact O-N 3.36Å; L579-C587 HydrophobicContact CB-CB 3.92Å; L579-L589 HydrophobicContact CD1-CD1 4.15Å |
| 580 | D | 94.2 | Very high | 94.1 | Very high | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 175 | -81.6 | 14.7 | 0 | 0 | 0 | 112 | L576 D577 V578 G584 G585 C587 R590 | L576-D580 WeakPolarHBondContact O-CB 3.43Å; L576-D580 PolarHBondContact O-N 3.29Å; D577-D580 PolarHBondContact O-N 3.12Å; V578-D580 VanDerWaalsContact C-N 3.28Å; V578-D580 PolarHBondContact O-N 3.46Å; D580-G584 PolarHBondContact O-N 2.87Å; D580-G584 VanDerWaalsContact O-N 3.15Å; D580-G585 CarbonylContact C-O 3.54Å; D580-G585 WeakPolarHBondContact CA-O 3.19Å; D580-G585 WeakPolarHBondContact CB-O 3.5Å; D580-G585 PolarHBondContact O-N 3.4Å; D580-C587 WeakPolarHBondContact OD1-CB 3.42Å; D580-C587 PolarHBondContact OD1-N 3.16Å; D580-C587 PolarHBondContact OD1-SG 3.24Å; D580-R590 IonicContact OD1-CZ 2.69Å; D580-R590 IonicContact OD1-NE 3.32Å; D580-R590 PolarHBondContact OD1-NE 3.12Å; D580-R590 IonicContact OD1-NH2 3.3Å; D580-R590 IonicContact OD2-CZ 3.52Å; D580-R590 IonicContact OD2-NE 3.28Å; D580-R590 PolarHBondContact OD2-NE 3.15Å; D580-R590 IonicContact OD2-NH2 2.82Å; D580-R590 PolarHBondContact OD2-NH2 3.29Å |
| 581 | C | 91.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66 | -48.3 | -179.9 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | F373 D577 V578 L579 Q583 G584 | F373-C581 HydrophobicContact CE1-CB 4.22Å; F373-C581 HydrophobicContact CZ-CB 4.13Å; D577-C581 PolarHBondContact O-N 3.39Å; V578-C581 WeakPolarHBondContact O-CB 3.34Å; V578-C581 PolarHBondContact O-N 3.34Å; V578-C581 VanDerWaalsContact O-N 3.13Å; L579-C581 VanDerWaalsContact C-N 3.31Å; L579-C581 PolarHBondContact O-N 2.94Å; C581-Q583 VanDerWaalsContact C-N 3.32Å; C581-Q583 PolarHBondContact O-N 3.35Å; C581-G584 PolarHBondContact O-N 3.14Å |
| 582 | I | 89.4 | Confident | 93.3 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 179.8 | -66.7 | 173.9 | 0 | 0 | 0 | 111.8 | L30 F373 V578 G584 | L30-I582 HydrophobicContact CD1-CD1 3.73Å; L30-I582 HydrophobicContact CD2-CD1 3.75Å; L30-I582 HydrophobicContact CG-CD1 4.42Å; F373-I582 HydrophobicContact CD2-CD1 4.41Å; F373-I582 HydrophobicContact CE2-CD1 3.85Å; F373-I582 HydrophobicContact CE2-CG1 3.71Å; F373-I582 HydrophobicContact CZ-CG1 4.15Å; V578-I582 HydrophobicContact CG1-CD1 3.78Å; V578-I582 HydrophobicContact CG1-CG1 4.43Å; V578-I582 PolarHBondContact O-N 3.08Å; I582-G584 VanDerWaalsContact C-N 3.32Å |
| 583 | Q | 89.2 | Confident | 93 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.2 | -179.8 | -65.2 | 175 | 17.5 | 0 | 0 | 113.5 | L579 C581 G585 C587 | L579-Q583 VanDerWaalsContact O-CB 3.27Å; L579-Q583 WeakPolarHBondContact O-CB 3.44Å; L579-Q583 VanDerWaalsContact O-CG 3.22Å; L579-Q583 WeakPolarHBondContact O-CG 3.11Å; L579-Q583 PolarHBondContact O-N 3.36Å; C581-Q583 VanDerWaalsContact C-N 3.32Å; C581-Q583 PolarHBondContact O-N 3.35Å; Q583-G585 VanDerWaalsContact C-N 3.26Å; Q583-G585 PolarHBondContact O-N 2.75Å; Q583-C587 VanDerWaalsContact OE1-CA 3.26Å |
| 584 | G | 86.3 | Confident | 92.9 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 77% | 0.773 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 21.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D580 C581 I582 | D580-G584 PolarHBondContact O-N 2.87Å; D580-G584 VanDerWaalsContact O-N 3.15Å; C581-G584 PolarHBondContact O-N 3.14Å; I582-G584 VanDerWaalsContact C-N 3.32Å |
| 585 | G | 87.9 | Confident | 92.7 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 173.7 | -175.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D580 Q583 C587 | D580-G585 CarbonylContact C-O 3.54Å; D580-G585 WeakPolarHBondContact CA-O 3.19Å; D580-G585 WeakPolarHBondContact CB-O 3.5Å; D580-G585 PolarHBondContact O-N 3.4Å; Q583-G585 VanDerWaalsContact C-N 3.26Å; Q583-G585 PolarHBondContact O-N 2.75Å; G585-C587 PolarHBondContact O-N 3.39Å; G585-C587 VanDerWaalsContact O-N 3.13Å |
| 586 | R | 91.5 | Very high | 92.4 | Very high | 146 Ų | 146 | 48.8 Ų | 48.8 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | trans | -64.1 | 115 | -178.4 | -167.1 | -176.9 | -173.5 | -136.7 | -6.7 | 110.7 | D591 | R586-D591 IonicContact CZ-OD1 3.12Å; R586-D591 VanDerWaalsContact CZ-OD1 3.28Å; R586-D591 IonicContact CZ-OD2 3.58Å; R586-D591 IonicContact NH1-OD1 3.01Å; R586-D591 PolarHBondContact NH1-OD1 3.49Å; R586-D591 VanDerWaalsContact NH1-OD1 3.08Å; R586-D591 IonicContact NH1-OD2 3.15Å; R586-D591 PolarHBondContact NH1-OD2 3.25Å; R586-D591 IonicContact NH2-OD1 3.98Å; R586-D591 PolarHBondContact NH2-OD1 3.39Å; R586-D591 IonicContact NH2-OD2 3.68Å | ||
| 587 | C | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | trans | -69.3 | 149.6 | -178.5 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | L579 D580 Q583 G585 L589 R590 | L579-C587 HydrophobicContact CB-CB 3.92Å; D580-C587 WeakPolarHBondContact OD1-CB 3.42Å; D580-C587 PolarHBondContact OD1-N 3.16Å; D580-C587 PolarHBondContact OD1-SG 3.24Å; Q583-C587 VanDerWaalsContact OE1-CA 3.26Å; G585-C587 PolarHBondContact O-N 3.39Å; G585-C587 VanDerWaalsContact O-N 3.13Å; C587-L589 PolarHBondContact O-N 3.11Å; C587-L589 VanDerWaalsContact O-N 3.14Å; C587-R590 PolarHBondContact O-N 3.04Å | ||
| 588 | R | 93.7 | Very high | 92.2 | Very high | 146 Ų | 146 | 49.9 Ų | 49.9 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.4 | -176 | 66.6 | 178.5 | 176.2 | 81 | 10.1 | 114.3 | E28 R590 | E28-R588 IonicContact OE1-CZ 3.08Å; E28-R588 IonicContact OE1-NH2 2.79Å; E28-R588 PolarHBondContact OE1-NH2 2.77Å; E28-R588 IonicContact OE2-CZ 2.9Å; E28-R588 IonicContact OE2-NE 2.73Å; E28-R588 IonicContact OE2-NH2 2.88Å; E28-R588 PolarHBondContact OE2-NH2 3.25Å; R588-R590 VanDerWaalsContact C-N 3.28Å; R588-R590 PolarHBondContact O-N 3.33Å |
| 589 | L | 93.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -75.4 | -15.5 | -174.4 | -65.4 | -172.2 | 0 | 0 | 0 | 113.5 | L24 E28 L576 L579 C587 D591 V592 Y597 | L24-L589 HydrophobicContact CD1-CD1 3.59Å; L24-L589 HydrophobicContact CG-CD1 4.41Å; E28-L589 HydrophobicContact CG-CD1 3.71Å; L576-L589 HydrophobicContact CD2-CB 3.64Å; L579-L589 HydrophobicContact CD1-CD1 4.15Å; C587-L589 PolarHBondContact O-N 3.11Å; C587-L589 VanDerWaalsContact O-N 3.14Å; L589-D591 PolarHBondContact O-N 2.85Å; L589-V592 HydrophobicContact CD2-CG2 4.31Å; L589-V592 PolarHBondContact O-N 3Å; L589-V592 VanDerWaalsContact O-N 3.14Å; L589-Y597 HydrophobicContact CD1-CE1 4.12Å; L589-Y597 HydrophobicContact CD1-CE2 4.37Å; L589-Y597 HydrophobicContact CD2-CD2 3.8Å; L589-Y597 HydrophobicContact CD2-CE2 3.72Å; L589-Y597 HydrophobicContact CD2-CG 4.29Å |
| 590 | R | 92.3 | Very high | 92 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.6 | -19.4 | 178 | -71.7 | -174.4 | -178.6 | -80 | 13.3 | 114.4 | L576 D577 D580 C587 R588 | L576-R590 HydrophobicContact CB-CG 4.21Å; L576-R590 HydrophobicContact CD1-CG 4.11Å; L576-R590 HydrophobicContact CD2-CG 4.15Å; L576-R590 HydrophobicContact CG-CG 4.39Å; L576-R590 PolarHBondContact O-NH2 3.4Å; D577-R590 IonicContact OD1-CZ 3.63Å; D577-R590 IonicContact OD1-NH1 2.77Å; D577-R590 IonicContact OD1-NH2 3.6Å; D577-R590 PolarHBondContact OD1-NH2 3.39Å; D580-R590 IonicContact OD1-CZ 2.69Å; D580-R590 IonicContact OD1-NE 3.32Å; D580-R590 PolarHBondContact OD1-NE 3.12Å; D580-R590 IonicContact OD1-NH2 3.3Å; D580-R590 IonicContact OD2-CZ 3.52Å; D580-R590 IonicContact OD2-NE 3.28Å; D580-R590 PolarHBondContact OD2-NE 3.15Å; D580-R590 IonicContact OD2-NH2 2.82Å; D580-R590 PolarHBondContact OD2-NH2 3.29Å; C587-R590 PolarHBondContact O-N 3.04Å; R588-R590 VanDerWaalsContact C-N 3.28Å; R588-R590 PolarHBondContact O-N 3.33Å |
| 591 | D | 89.1 | Confident | 91.4 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -108.5 | 14 | 178.2 | -60.5 | -46.9 | 0 | 0 | 0 | 111.9 | R586 L589 | R586-D591 IonicContact CZ-OD1 3.12Å; R586-D591 VanDerWaalsContact CZ-OD1 3.28Å; R586-D591 IonicContact CZ-OD2 3.58Å; R586-D591 IonicContact NH1-OD1 3.01Å; R586-D591 PolarHBondContact NH1-OD1 3.49Å; R586-D591 VanDerWaalsContact NH1-OD1 3.08Å; R586-D591 IonicContact NH1-OD2 3.15Å; R586-D591 PolarHBondContact NH1-OD2 3.25Å; R586-D591 IonicContact NH2-OD1 3.98Å; R586-D591 PolarHBondContact NH2-OD1 3.39Å; R586-D591 IonicContact NH2-OD2 3.68Å; L589-D591 PolarHBondContact O-N 2.85Å |
| 592 | V | 89.4 | Confident | 90.4 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -105.6 | 146.5 | -179.3 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | L589 I594 | L589-V592 HydrophobicContact CD2-CG2 4.31Å; L589-V592 PolarHBondContact O-N 3Å; L589-V592 VanDerWaalsContact O-N 3.14Å; V592-I594 PolarHBondContact O-N 3.26Å |
| 593 | R | 92.4 | Very high | 88.7 | Confident | 104 Ų | 104 | 66 Ų | 66 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | trans | -64.1 | 92.7 | 166.7 | -79.2 | 177.3 | 37.5 | 134.6 | 2.3 | 109.9 | Q77 I595 D596 Y597 | Q77-R593 VanDerWaalsContact NE2-CB 3.26Å; Q77-R593 VanDerWaalsContact NE2-NE 3.17Å; Q77-R593 VanDerWaalsContact OE1-CA 3.22Å; R593-I595 VanDerWaalsContact C-N 3.26Å; R593-I595 PolarHBondContact O-N 3Å; R593-D596 HydrophobicContact CB-CB 4.18Å; R593-D596 IonicContact CZ-OD1 2.63Å; R593-D596 IonicContact CZ-OD2 3.49Å; R593-D596 IonicContact NE-OD2 3.72Å; R593-D596 PolarHBondContact NE-OD2 3.07Å; R593-D596 IonicContact NH2-OD1 3.83Å; R593-D596 PolarHBondContact NH2-OD1 3.23Å; R593-D596 IonicContact NH2-OD2 3.46Å; R593-D596 PolarHBondContact NH2-OD2 3.28Å; R593-D596 WeakPolarHBondContact O-CB 3.28Å; R593-D596 PolarHBondContact O-N 2.92Å; R593-D596 VanDerWaalsContact O-N 3.11Å; R593-Y597 PolarHBondContact O-N 3.46Å | ||
| 594 | I | 94.5 | Very high | 87 | Confident | 22 Ų | 22 | 67.7 Ų | 67.7 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.2 | -36.9 | -168.2 | -163.8 | 64.9 | 0 | 0 | 0 | 113.4 | L24 F568 V572 V592 Y597 L598 | L24-I594 HydrophobicContact CD1-CD1 3.69Å; L24-I594 HydrophobicContact CD2-CD1 3.99Å; F568-I594 HydrophobicContact CE1-CG2 4.49Å; V572-I594 HydrophobicContact CG1-CD1 4.26Å; V572-I594 HydrophobicContact CG1-CG1 3.87Å; V572-I594 HydrophobicContact CG2-CG1 4.3Å; V592-I594 PolarHBondContact O-N 3.26Å; I594-Y597 HydrophobicContact CD1-CD1 4.27Å; I594-Y597 PolarHBondContact O-N 3.44Å; I594-L598 HydrophobicContact CG1-CD1 4.28Å; I594-L598 HydrophobicContact CG1-CG 4.43Å; I594-L598 VanDerWaalsContact O-CG 3.29Å; I594-L598 WeakPolarHBondContact O-CG 3.45Å; I594-L598 PolarHBondContact O-N 3.06Å |
| 595 | I | 94.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | -179.9 | -63.8 | -54.4 | 0 | 0 | 0 | 110.8 | Q77 P81 T84 L85 R88 F568 R593 Y597 L598 T599 | Q77-I595 HydrophobicContact CB-CG1 4.17Å; P81-I595 HydrophobicContact CB-CD1 3.95Å; P81-I595 HydrophobicContact CB-CG1 4.03Å; T84-I595 HydrophobicContact CG2-CB 4.19Å; T84-I595 HydrophobicContact CG2-CG2 3.81Å; L85-I595 HydrophobicContact CB-CD1 4.16Å; L85-I595 HydrophobicContact CB-CG2 4.1Å; L85-I595 HydrophobicContact CD1-CG2 4.16Å; R88-I595 HydrophobicContact CG-CG2 4.1Å; F568-I595 HydrophobicContact CE1-CD1 3.8Å; F568-I595 HydrophobicContact CZ-CD1 3.58Å; R593-I595 VanDerWaalsContact C-N 3.26Å; R593-I595 PolarHBondContact O-N 3Å; I595-Y597 VanDerWaalsContact C-N 3.31Å; I595-Y597 PolarHBondContact O-N 3.36Å; I595-L598 PolarHBondContact O-N 3.11Å; I595-T599 HydrophobicContact CG2-CG2 4.36Å; I595-T599 WeakPolarHBondContact O-CG2 3.41Å; I595-T599 PolarHBondContact O-N 2.55Å; I595-T599 PolarHBondContact O-OG1 2.85Å |
| 596 | D | 92.9 | Very high | 83.2 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 6% | 0.059 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 177.6 | -76.8 | -7.2 | 0 | 0 | 0 | 111.9 | R88 R593 T599 G600 H601 Y603 | R88-D596 IonicContact CZ-OD1 3.64Å; R88-D596 IonicContact NE-OD1 2.73Å; R88-D596 PolarHBondContact NE-OD1 3.3Å; R88-D596 IonicContact NH2-OD1 3.76Å; R88-D596 PolarHBondContact NH2-OD1 3.01Å; R88-D596 VanDerWaalsContact NH2-OD1 3.15Å; R593-D596 HydrophobicContact CB-CB 4.18Å; R593-D596 IonicContact CZ-OD1 2.63Å; R593-D596 IonicContact CZ-OD2 3.49Å; R593-D596 IonicContact NE-OD2 3.72Å; R593-D596 PolarHBondContact NE-OD2 3.07Å; R593-D596 IonicContact NH2-OD1 3.83Å; R593-D596 PolarHBondContact NH2-OD1 3.23Å; R593-D596 IonicContact NH2-OD2 3.46Å; R593-D596 PolarHBondContact NH2-OD2 3.28Å; R593-D596 WeakPolarHBondContact O-CB 3.28Å; R593-D596 PolarHBondContact O-N 2.92Å; R593-D596 VanDerWaalsContact O-N 3.11Å; D596-T599 PolarHBondContact O-N 3.36Å; D596-T599 PolarHBondContact O-OG1 3.41Å; D596-G600 CarbonylContact O-C 3.46Å; D596-G600 PolarHBondContact O-N 3.36Å; D596-H601 HydrophobicContact CB-CB 4.29Å; D596-H601 WeakPolarHBondContact CB-O 3.48Å; D596-H601 PolarHBondContact O-N 3.24Å; D596-H601 IonicContact OD1-ND1 3Å; D596-Y603 WeakPolarHBondContact OD2-CD2 3.49Å; D596-Y603 VanDerWaalsContact OD2-CE2 3.31Å; D596-Y603 WeakPolarHBondContact OD2-CE2 3.38Å |
| 597 | Y | 94.7 | Very high | 80.6 | Confident | 55 Ų | 55 | 75.8 Ų | 75.8 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 174.8 | 168.4 | -90 | 0 | 0 | 0 | 110.9 | L24 N27 E28 L589 R593 I594 I595 T599 G600 | L24-Y597 HydrophobicContact CD1-CD1 3.94Å; L24-Y597 HydrophobicContact CD1-CE1 3.5Å; L24-Y597 VanDerWaalsContact CD1-CE1 3.5Å; N27-Y597 HydrophobicContact CB-CE1 4.26Å; N27-Y597 WeakPolarHBondContact CB-OH 3.42Å; E28-Y597 VanDerWaalsContact OE1-CZ 3.28Å; E28-Y597 PolarHBondContact OE1-OH 2.84Å; L589-Y597 HydrophobicContact CD1-CE1 4.12Å; L589-Y597 HydrophobicContact CD1-CE2 4.37Å; L589-Y597 HydrophobicContact CD2-CD2 3.8Å; L589-Y597 HydrophobicContact CD2-CE2 3.72Å; L589-Y597 HydrophobicContact CD2-CG 4.29Å; R593-Y597 PolarHBondContact O-N 3.46Å; I594-Y597 HydrophobicContact CD1-CD1 4.27Å; I594-Y597 PolarHBondContact O-N 3.44Å; I595-Y597 VanDerWaalsContact C-N 3.31Å; I595-Y597 PolarHBondContact O-N 3.36Å; Y597-T599 VanDerWaalsContact C-N 3.3Å; Y597-T599 PolarHBondContact O-N 3.48Å; Y597-G600 PolarHBondContact O-N 3.4Å |
| 598 | L | 95.6 | Very high | 78 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.4 | -33.5 | -179.4 | -69.6 | 176.5 | 0 | 0 | 0 | 112.8 | K23 L24 F287 F568 I594 I595 | K23-L598 HydrophobicContact CD-CD2 4.12Å; K23-L598 HydrophobicContact CG-CD2 4.09Å; L24-L598 HydrophobicContact CB-CD2 4.44Å; L24-L598 HydrophobicContact CD1-CD2 4.19Å; F287-L598 HydrophobicContact CE1-CB 4.41Å; F287-L598 HydrophobicContact CZ-CB 4.27Å; F287-L598 WeakPolarHBondContact CZ-O 3.27Å; F568-L598 HydrophobicContact CE2-CD1 4.43Å; F568-L598 HydrophobicContact CZ-CD1 3.95Å; I594-L598 HydrophobicContact CG1-CD1 4.28Å; I594-L598 HydrophobicContact CG1-CG 4.43Å; I594-L598 VanDerWaalsContact O-CG 3.29Å; I594-L598 WeakPolarHBondContact O-CG 3.45Å; I594-L598 PolarHBondContact O-N 3.06Å; I595-L598 PolarHBondContact O-N 3.11Å |
| 599 | T | 94.7 | Very high | 75.2 | Confident | 39 Ų | 39 | 81.8 Ų | 81.8 | 24% | 0.239 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 0.6 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | L85 R88 F287 I595 D596 Y597 H601 | L85-T599 HydrophobicContact CD1-CG2 3.65Å; R88-T599 HydrophobicContact CB-CG2 3.84Å; R88-T599 HydrophobicContact CG-CG2 4.25Å; F287-T599 HydrophobicContact CE1-CG2 4.35Å; F287-T599 HydrophobicContact CE2-CG2 4.24Å; F287-T599 HydrophobicContact CZ-CG2 3.7Å; I595-T599 HydrophobicContact CG2-CG2 4.36Å; I595-T599 WeakPolarHBondContact O-CG2 3.41Å; I595-T599 PolarHBondContact O-N 2.55Å; I595-T599 PolarHBondContact O-OG1 2.85Å; D596-T599 PolarHBondContact O-N 3.36Å; D596-T599 PolarHBondContact O-OG1 3.41Å; Y597-T599 VanDerWaalsContact C-N 3.3Å; Y597-T599 PolarHBondContact O-N 3.48Å; T599-H601 PolarHBondContact O-N 2.81Å; T599-H601 WeakPolarHBondContact OG1-CB 3.39Å |
| 600 | G | 91.8 | Very high | 72.8 | Confident | 57 Ų | 57 | 90.7 Ų | 90.7 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 17.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | D596 Y597 R602 | D596-G600 CarbonylContact O-C 3.46Å; D596-G600 PolarHBondContact O-N 3.36Å; Y597-G600 PolarHBondContact O-N 3.4Å; G600-R602 PolarHBondContact O-N 3.01Å |
| 601 | H | 83.5 | Confident | 70.3 | Confident | 72 Ų | 72 | 95.5 Ų | 95.5 | 33% | 0.333 | 48% | 0.482 | S | S | . | . | trans | -81.4 | 86.9 | -175.7 | -173 | -62.9 | 0 | 0 | 0 | 109.5 | R88 D596 T599 Y603 | R88-H601 VanDerWaalsContact CD-CD2 3.46Å; R88-H601 WeakPolarHBondContact CD-CD2 3.46Å; R88-H601 PolarHBondContact NE-CD2 3.45Å; R88-H601 PolarHBondContact NH1-NE2 2.9Å; D596-H601 HydrophobicContact CB-CB 4.29Å; D596-H601 WeakPolarHBondContact CB-O 3.48Å; D596-H601 PolarHBondContact O-N 3.24Å; D596-H601 IonicContact OD1-ND1 3Å; T599-H601 PolarHBondContact O-N 2.81Å; T599-H601 WeakPolarHBondContact OG1-CB 3.39Å; H601-Y603 AromaticContact CE1-CE2 3.57Å; H601-Y603 AromaticContact ND1-CD2 3.72Å; H601-Y603 AromaticContact ND1-CE2 3.58Å | ||
| 602 | R | 69.4 | Low | 67.9 | Low | 200 Ų | 200 | 96.3 Ų | 96.3 | 76% | 0.755 | 49% | 0.49 | S | S | * | . | trans | -76.9 | 132.3 | 179.7 | -56.5 | -169.7 | 178.6 | -170.4 | 1.3 | 111.5 | G600 D604 | G600-R602 PolarHBondContact O-N 3.01Å; R602-D604 WeakPolarHBondContact CB-OD1 3.2Å | ||
| 603 | Y | 53.5 | Low | 65.1 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | trans | -96.8 | 24.7 | 172.9 | -96 | -90.8 | 0 | 0 | 0 | 111.5 | R88 D596 H601 L605 F606 | R88-Y603 PolarHBondContact NH2-OH 3.39Å; D596-Y603 WeakPolarHBondContact OD2-CD2 3.49Å; D596-Y603 VanDerWaalsContact OD2-CE2 3.31Å; D596-Y603 WeakPolarHBondContact OD2-CE2 3.38Å; H601-Y603 AromaticContact CE1-CE2 3.57Å; H601-Y603 AromaticContact ND1-CD2 3.72Å; H601-Y603 AromaticContact ND1-CE2 3.58Å; Y603-L605 CarbonylContact O-C 3.3Å; Y603-L605 PolarHBondContact O-N 3.26Å; Y603-F606 CarbonylContact O-C 3.48Å; Y603-F606 PolarHBondContact O-N 2.59Å; Y603-F606 VanDerWaalsContact O-O 3.12Å | ||
| 604 | D | 53.9 | Low | 62.4 | Low | 130 Ų | 130 | 111 Ų | 111 | 70% | 0.695 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 17.1 | 178.7 | 34.3 | 0.5 | 0 | 0 | 0 | 115.1 | R602 | R602-D604 WeakPolarHBondContact CB-OD1 3.2Š|
| 605 | L | 50.4 | Low | 59.4 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 81% | 0.806 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -10.1 | 156 | -83.3 | 160.4 | 0 | 0 | 0 | 115.8 | Y603 | Y603-L605 CarbonylContact O-C 3.3Å; Y603-L605 PolarHBondContact O-N 3.26Å |
| 606 | F | 44.8 | Very low | 56.4 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 70% | 0.697 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -146.8 | 115.6 | 173.9 | -73.2 | -78.8 | 0 | 0 | 0 | 112.2 | Y603 | Y603-F606 CarbonylContact O-C 3.48Å; Y603-F606 PolarHBondContact O-N 2.59Å; Y603-F606 VanDerWaalsContact O-O 3.12Å |
| 607 | P | 35.4 | Very low | 53.5 | Low | 114 Ų | 114 | 135.5 Ų | 135.5 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | trans | -67.6 | 157.2 | -173.5 | 28.7 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 608 | P | 37.6 | Very low | 50.4 | Low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -59 | 142.4 | 176.5 | 23.6 | -31.8 | 0 | 0 | 0 | 111.2 | E610 | P608-E610 PolarHBondContact O-N 3.49Š| ||
| 609 | H | 36.3 | Very low | 47.4 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -42 | 131.5 | -179.6 | -168.2 | -73.1 | 0 | 0 | 0 | 111.8 | M611 | H609-M611 PolarHBondContact O-N 2.86Š| ||
| 610 | E | 41.7 | Very low | 44.4 | Very low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -59.3 | 2.4 | -167.6 | -96.4 | -167.1 | 153.6 | 0 | 0 | 116.8 | P608 V612 | P608-E610 PolarHBondContact O-N 3.49Å; E610-V612 PolarHBondContact O-N 3.37Å |
| 611 | M | 39.6 | Very low | 41.6 | Very low | 156 Ų | 156 | 160.9 Ų | 160.9 | 77% | 0.768 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -89.5 | 4.9 | -176.5 | -72 | -171.3 | 62.9 | 0 | 0 | 115.6 | H609 | H609-M611 PolarHBondContact O-N 2.86Š|
| 612 | V | 39.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 164 Ų | 164 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -112.3 | 19.6 | -179.2 | -164.2 | 0 | 0 | 0 | 0 | 113.6 | E610 | E610-V612 PolarHBondContact O-N 3.37Š|
| 613 | R | 31.1 | Very low | 37.2 | Very low | 242 Ų | 242 | 162.9 Ų | 162.9 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | trans | -106.7 | 64.4 | 166.3 | -75.4 | -173.3 | 178.4 | 171.1 | 1.8 | 112.1 | ||||
| 614 | R | 34 | Very low | 36.1 | Very low | 234 Ų | 234 | 163.9 Ų | 163.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -116.5 | 76.3 | 161.5 | -89.9 | -173.2 | 175.9 | 161.5 | -0.2 | 110.1 | ||||
| 615 | T | 32.6 | Very low | 34.9 | Very low | 140 Ų | 140 | 163.7 Ų | 163.7 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 169.4 | 61 | 148.4 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 616 | K | 32.5 | Very low | 33.8 | Very low | 203 Ų | 203 | 164 Ų | 164 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -104 | 98.3 | 142.2 | -99.2 | -176.4 | 175.6 | -179.8 | 0 | 105.1 | R618 | K616-R618 VanDerWaalsContact C-N 3.3Å; K616-R618 PolarHBondContact O-N 3.43Å | ||
| 617 | K | 31.4 | Very low | 33 | Very low | 205 Ų | 205 | 162.1 Ų | 162.1 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -48.2 | 104.2 | 161.5 | -87 | 179.2 | 173.4 | 176.8 | 0 | 105.6 | K619 | K617-K619 PolarHBondContact O-N 3.36Š| ||
| 618 | R | 29.6 | Very low | 32.4 | Very low | 234 Ų | 234 | 165.6 Ų | 165.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -56.5 | 109.5 | 163.2 | -84.8 | 178.4 | 166.9 | 160.4 | -4.4 | 104.2 | K616 I620 | K616-R618 VanDerWaalsContact C-N 3.3Å; K616-R618 PolarHBondContact O-N 3.43Å; R618-I620 PolarHBondContact O-N 3.09Å | ||
| 619 | K | 32.4 | Very low | 32 | Very low | 186 Ų | 186 | 167.4 Ų | 167.4 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | trans | -52 | 112.3 | 161.4 | -93.9 | -179.4 | 171.7 | 180 | 0 | 104.5 | K617 T621 | K617-K619 PolarHBondContact O-N 3.36Å; K619-T621 HydrophobicContact CB-CG2 4.41Å; K619-T621 PolarHBondContact O-N 3.37Å | ||
| 620 | I | 31.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 165.2 Ų | 165.2 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -66.3 | 87.3 | 165.4 | -64.7 | 171.2 | 0 | 0 | 0 | 103.5 | R618 N622 | R618-I620 PolarHBondContact O-N 3.09Å; I620-N622 PolarHBondContact O-N 2.83Å | ||
| 621 | T | 33.3 | Very low | 30.9 | Very low | 116 Ų | 116 | 161.8 Ų | 161.8 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | trans | -73.1 | 113.9 | 166.9 | 41 | 0 | 0 | 0 | 0 | 105.6 | K619 L623 | K619-T621 HydrophobicContact CB-CG2 4.41Å; K619-T621 PolarHBondContact O-N 3.37Å; T621-L623 PolarHBondContact O-N 3.05Å | ||
| 622 | N | 33.1 | Very low | 30.3 | Very low | 137 Ų | 137 | 158.4 Ų | 158.4 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -41.3 | 123.2 | 177.3 | -68.6 | -26.9 | 0 | 0 | 0 | 110.6 | I620 T624 | I620-N622 PolarHBondContact O-N 2.83Å; N622-T624 PolarHBondContact O-N 2.87Å | ||
| 623 | L | 27 | Very low | 29.6 | Very low | 178 Ų | 178 | 161 Ų | 161 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -63.6 | 83.7 | 163.9 | -80.8 | 149.3 | 0 | 0 | 0 | 107.6 | T621 | T621-L623 PolarHBondContact O-N 3.05Š| ||
| 624 | T | 30.9 | Very low | 29.6 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -91.9 | 116.7 | 162 | -24.1 | 0 | 0 | 0 | 0 | 106.5 | N622 D626 | N622-T624 PolarHBondContact O-N 2.87Å; T624-D626 PolarHBondContact O-N 2.83Å | ||
| 625 | V | 29 | Very low | 29.1 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -58.3 | 119 | -175.2 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | C627 | V625-C627 PolarHBondContact O-N 3.4Š| ||
| 626 | D | 26.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -64 | 99.7 | 170.5 | -85.6 | -36.9 | 0 | 0 | 0 | 110.1 | T624 K628 | T624-D626 PolarHBondContact O-N 2.83Å; D626-K628 PolarHBondContact O-N 2.6Å | ||
| 627 | C | 27.5 | Very low | 28.4 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -76.7 | 109.2 | 155.9 | -76.2 | 0 | 0 | 0 | 0 | 108.3 | V625 N629 | V625-C627 PolarHBondContact O-N 3.4Å; C627-N629 PolarHBondContact O-N 3.06Å | ||
| 628 | K | 23.8 | Very low | 28 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -36 | 128.7 | 162 | -65 | 172.9 | 176.4 | 177 | 0 | 111.1 | D626 | D626-K628 PolarHBondContact O-N 2.6Š| ||
| 629 | N | 29.7 | Very low | 27.9 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | -166.9 | 130.4 | 124.9 | -92.3 | -18.7 | 0 | 0 | 0 | 112 | C627 | C627-N629 PolarHBondContact O-N 3.06Š| |||
| 630 | S | 24.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -50.6 | 138.6 | 166.8 | 46.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 631 | S | 28.9 | Very low | 27.2 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 172.7 | 130.3 | 120.5 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 632 | A | 27.3 | Very low | 26.8 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 44.8 | 116.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 633 | N | 24.7 | Very low | 26.4 | Very low | 163 Ų | 163 | 133 Ų | 133 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | 43.6 | 110.1 | 126.6 | -63.9 | -9.4 | 0 | 0 | 0 | 118.6 | |||||
| 634 | S | 30.9 | Very low | 26.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 116.2 | 143.8 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 635 | S | 23.5 | Very low | 26.3 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -87.9 | 142.5 | 155.5 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 636 | G | 25.8 | Very low | 26.1 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 143.9 | 108.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 637 | K | 26.3 | Very low | 26 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | 65.3 | 114 | 133.2 | -70.9 | -175.3 | 175.6 | -174.7 | 0 | 118.2 | ||||
| 638 | Q | 23.1 | Very low | 25.9 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | 86.5 | 145.9 | 76.8 | -105.6 | -175 | -14.3 | 0 | 0 | 113.4 | |||||
| 639 | E | 27.1 | Very low | 25.9 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 90.3 | 112.4 | 166.5 | -67.9 | 170.4 | -176 | 0 | 0 | 116.2 | ||||
| 640 | S | 24.1 | Very low | 26 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 65.9 | 140.3 | 75.5 | 101.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 641 | S | 24.8 | Very low | 25.9 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 59% | 0.587 | 79% | 0.789 | S | S | * | * | cis | 178.5 | 167.5 | 12 | 41.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 642 | L | 24.5 | Very low | 26 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | 68.8 | 149.1 | 154.1 | -71.1 | 145.7 | 0 | 0 | 0 | 117.4 | ||||
| 643 | A | 25.7 | Very low | 26 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | cis | -171.4 | 153 | -1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 644 | K | 25.1 | Very low | 26.1 | Very low | 202 Ų | 202 | 138.6 Ų | 138.6 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | trans | 31.7 | 132.6 | 136.5 | -61 | 179.6 | 177.3 | 178.2 | 0 | 122.5 | ||||
| 645 | S | 29.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 174.5 | 129.6 | 125 | 50.9 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 646 | V | 24 | Very low | 26 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | cis | 91.2 | 119.8 | 48.5 | 174.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 647 | Q | 24.8 | Very low | 26.1 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 71.2 | 151.1 | 155.5 | -80.8 | 166.4 | -5.8 | 0 | 0 | 118.6 | ||||
| 648 | S | 26 | Very low | 26.1 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | cis | -175.4 | 151.6 | 5.3 | 40.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 649 | N | 24.5 | Very low | 26.3 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 38.3 | 124.2 | 141.7 | -60.5 | -8.9 | 0 | 0 | 0 | 122.3 | ||||
| 650 | Q | 32 | Very low | 26.4 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 122.1 | 140.1 | -86.7 | -174.7 | -13.7 | 0 | 0 | 110.6 | ||||
| 651 | E | 22.2 | Very low | 26.4 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -79.3 | 151.3 | 169.9 | -69.6 | 170.3 | 134.2 | 0 | 0 | 111.2 | ||||
| 652 | L | 30.5 | Very low | 26.3 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -152.1 | 92.5 | 157.6 | -118.7 | 132.6 | 0 | 0 | 0 | 111.9 | ||||
| 653 | V | 27.9 | Very low | 26.4 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | 38.9 | 122.4 | 136.3 | -173 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 654 | S | 25.3 | Very low | 26.3 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | -59.5 | 149.5 | 165.7 | 47.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 655 | T | 27 | Very low | 26.4 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -133.4 | 124 | 153.1 | 29.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 656 | E | 25.2 | Very low | 26.1 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -83.4 | 146 | 173 | -63.6 | 175.5 | 147.5 | 0 | 0 | 110.3 | ||||
| 657 | S | 29.6 | Very low | 26.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -154.6 | 130.7 | 145.6 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 658 | S | 25.4 | Very low | 26.3 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | -83.6 | 153 | -179.7 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 659 | D | 26.8 | Very low | 26.3 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | 144 | 135.3 | 118.8 | -78.1 | -43.3 | 0 | 0 | 0 | 116.6 | |||||
| 660 | S | 29.7 | Very low | 26.3 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | 78.5 | 98.7 | 144.4 | 66.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 661 | L | 23.9 | Very low | 26 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | 31.6 | 123.7 | 116.8 | -68.8 | 163.5 | 0 | 0 | 0 | 121.6 | |||||
| 662 | C | 21.8 | Very low | 26.1 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 51.8 | 118.4 | 135 | -62 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 663 | S | 26.8 | Very low | 25.8 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | -172.8 | 131.6 | 120.1 | 23 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 664 | E | 24.1 | Very low | 25.6 | Very low | 204 Ų | 204 | 133.8 Ų | 133.8 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -63.3 | 142.2 | 161.5 | -66.8 | -178.3 | 150.4 | 0 | 0 | 109.8 | ||||
| 665 | G | 26.6 | Very low | 25.7 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -161.2 | 91.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S667 | G665-S667 PolarHBondContact O-N 3.35Š| ||
| 666 | D | 24.8 | Very low | 25.7 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -52.4 | 122 | 159.7 | -86.8 | -36.6 | 0 | 0 | 0 | 109.9 | ||||
| 667 | S | 27.1 | Very low | 25.7 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -159.3 | 112.5 | 149.2 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | G665 | G665-S667 PolarHBondContact O-N 3.35Š| ||
| 668 | S | 25.8 | Very low | 25.6 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -42.5 | 129.7 | 157.1 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 669 | S | 24.8 | Very low | 25.5 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -152.6 | 107.3 | 159.1 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 670 | S | 25.8 | Very low | 25.4 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 43.4 | 107.1 | 136.5 | 57.8 | 0 | 0 | 0 | 0 | 118.8 | L672 | S670-L672 PolarHBondContact O-N 2.88Å; S670-L672 VanDerWaalsContact O-N 3.12Å | ||
| 671 | I | 24.3 | Very low | 25.2 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -34.3 | 108.9 | 145.9 | -62 | 162.9 | 0 | 0 | 0 | 109.8 | ||||
| 672 | L | 24.8 | Very low | 25.2 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -119.1 | 108.3 | 161.6 | -77.2 | 175.3 | 0 | 0 | 0 | 106.8 | S670 F674 | S670-L672 PolarHBondContact O-N 2.88Å; S670-L672 VanDerWaalsContact O-N 3.12Å; L672-F674 PolarHBondContact O-N 2.94Å | ||
| 673 | D | 24.5 | Very low | 25.3 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -55.9 | 97.8 | 172.5 | -69.4 | -46 | 0 | 0 | 0 | 109.7 | E675 | D673-E675 PolarHBondContact O-N 2.82Š| ||
| 674 | F | 24.4 | Very low | 25.3 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -80 | 95.7 | 160.9 | -95.1 | -89 | 0 | 0 | 0 | 107.5 | L672 S676 | L672-F674 PolarHBondContact O-N 2.94Å; F674-S676 PolarHBondContact O-N 3.03Å | ||
| 675 | E | 26.2 | Very low | 25.4 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -60.8 | 85.7 | 157.6 | -75.9 | -173.3 | 151.5 | 0 | 0 | 108.1 | D673 V677 | D673-E675 PolarHBondContact O-N 2.82Å; E675-V677 PolarHBondContact O-N 3.39Å | ||
| 676 | S | 26.4 | Very low | 25.4 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 103 | 171.3 | 57.6 | 0 | 0 | 0 | 0 | 108 | F674 E678 | F674-S676 PolarHBondContact O-N 3.03Å; S676-E678 PolarHBondContact O-N 2.99Å | ||
| 677 | V | 26.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -57.6 | 86.6 | 164.7 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | E675 S679 | E675-V677 PolarHBondContact O-N 3.39Å; V677-S679 VanDerWaalsContact C-N 3.3Å; V677-S679 PolarHBondContact O-N 3.24Å | ||
| 678 | E | 27 | Very low | 25.6 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 94.9 | 169.4 | -83.6 | -171.2 | 154.2 | 0 | 0 | 107.9 | S676 C680 | S676-E678 PolarHBondContact O-N 2.99Å; E678-C680 PolarHBondContact O-N 2.99Å | ||
| 679 | S | 24.5 | Very low | 25.7 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -53.4 | 107.8 | 164.5 | 58.6 | 0 | 0 | 0 | 0 | 108 | V677 V681 | V677-S679 VanDerWaalsContact C-N 3.3Å; V677-S679 PolarHBondContact O-N 3.24Å; S679-V681 PolarHBondContact O-N 2.79Å | ||
| 680 | C | 23.5 | Very low | 25.8 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -59 | 81.3 | 172.2 | -75.2 | 0 | 0 | 0 | 0 | 110.2 | E678 L682 | E678-C680 PolarHBondContact O-N 2.99Å; C680-L682 PolarHBondContact O-N 3.4Å | ||
| 681 | V | 25 | Very low | 25.8 | Very low | 101 Ų | 101 | 146 Ų | 146 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | trans | -70.6 | 101.7 | 162.2 | -177.5 | 0 | 0 | 0 | 0 | 105.3 | S679 F683 | S679-V681 PolarHBondContact O-N 2.79Å; V681-F683 WeakPolarHBondContact O-CD2 3.4Å; V681-F683 PolarHBondContact O-N 3.25Å | ||
| 682 | L | 25.5 | Very low | 26 | Very low | 163 Ų | 163 | 145 Ų | 145 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -58 | 85.7 | 175.3 | -79.6 | 156.2 | 0 | 0 | 0 | 109.6 | C680 P684 | C680-L682 PolarHBondContact O-N 3.4Å; L682-P684 WeakPolarHBondContact O-CD 3.18Å | ||
| 683 | F | 24 | Very low | 26.3 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | trans | -59.6 | 121.9 | 164.6 | -72.6 | -79.4 | 0 | 0 | 0 | 107.5 | V681 K685 | V681-F683 WeakPolarHBondContact O-CD2 3.4Å; V681-F683 PolarHBondContact O-N 3.25Å; F683-K685 PolarHBondContact O-N 3.48Å | ||
| 684 | P | 25.6 | Very low | 26.7 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -67.1 | 99.8 | 179.3 | 26.5 | -30.1 | 0 | 0 | 0 | 107.3 | L682 P686 | L682-P684 WeakPolarHBondContact O-CD 3.18Å; P684-P686 WeakPolarHBondContact O-CD 3.37Å; P684-P686 VanDerWaalsContact O-N 3.09Å | ||
| 685 | K | 26.5 | Very low | 27.1 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -50.2 | 120.5 | 172.9 | -76.6 | -178.1 | 176.7 | 176.2 | 0 | 107.3 | F683 T687 | F683-K685 PolarHBondContact O-N 3.48Å; K685-T687 PolarHBondContact O-N 3.45Å | ||
| 686 | P | 25.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | trans | -58.2 | 116.1 | -177.7 | 20.3 | -29.4 | 0 | 0 | 0 | 107.6 | P684 R688 | P684-P686 WeakPolarHBondContact O-CD 3.37Å; P684-P686 VanDerWaalsContact O-N 3.09Å; P686-R688 PolarHBondContact O-N 3.14Å | ||
| 687 | T | 28.4 | Very low | 27.3 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | trans | -69.6 | 78.4 | 178.8 | 38.4 | 0 | 0 | 0 | 0 | 108.1 | K685 R689 | K685-T687 PolarHBondContact O-N 3.45Å; T687-R689 PolarHBondContact O-N 3.08Å | ||
| 688 | R | 28.3 | Very low | 27.5 | Very low | 214 Ų | 214 | 130.1 Ų | 130.1 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | trans | -67 | 78.9 | 173.2 | -152.7 | -177.4 | -165.9 | -157.2 | 5.7 | 108.1 | P686 S690 | P686-R688 PolarHBondContact O-N 3.14Å; R688-S690 VanDerWaalsContact C-N 3.34Å; R688-S690 PolarHBondContact O-N 2.8Å; R688-S690 VanDerWaalsContact O-N 3.09Å | ||
| 689 | R | 27.4 | Very low | 27.7 | Very low | 233 Ų | 233 | 124.7 Ų | 124.7 | 88% | 0.879 | 65% | 0.651 | S | S | * | * | trans | -75.4 | 91.1 | 167.1 | -90.2 | -174.9 | 174.4 | 179.5 | -0.6 | 107.7 | T687 T691 | T687-R689 PolarHBondContact O-N 3.08Å; R689-T691 PolarHBondContact O-N 3.21Å | ||
| 690 | S | 28.4 | Very low | 27.9 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 43% | 0.427 | 64% | 0.643 | S | S | . | * | trans | -55.4 | 128.5 | 166.8 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | R688 R692 T695 | R688-S690 VanDerWaalsContact C-N 3.34Å; R688-S690 PolarHBondContact O-N 2.8Å; R688-S690 VanDerWaalsContact O-N 3.09Å; S690-R692 VanDerWaalsContact C-N 3.27Å; S690-R692 PolarHBondContact OG-N 3.32Å; S690-T695 WeakPolarHBondContact CB-OG1 3.48Å; S690-T695 PolarHBondContact O-OG1 3.49Å; S690-T695 PolarHBondContact OG-OG1 3.29Å; S690-T695 VanDerWaalsContact OG-OG1 3.07Å | ||
| 691 | T | 24.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 77% | 0.767 | 63% | 0.626 | S | S | * | * | trans | -84.8 | 5.2 | 174.2 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | R689 L693 | R689-T691 PolarHBondContact O-N 3.21Å; T691-L693 PolarHBondContact O-N 3.41Å | ||
| 692 | R | 29.2 | Very low | 28.6 | Very low | 132 Ų | 132 | 120.3 Ų | 120.3 | 50% | 0.498 | 62% | 0.618 | S | S | . | * | trans | -63.6 | 132.3 | 174.6 | -86.9 | -177.2 | 165.4 | 161.6 | 1.4 | 110.3 | D573 S690 T694 T695 | D573-R692 IonicContact OD1-CZ 2.88Å; D573-R692 IonicContact OD1-NH1 2.97Å; D573-R692 IonicContact OD1-NH2 3.58Å; D573-R692 PolarHBondContact OD1-NH2 3.43Å; D573-R692 IonicContact OD2-CZ 3.56Å; D573-R692 IonicContact OD2-NH1 2.74Å; D573-R692 PolarHBondContact OD2-NH1 2.96Å; D573-R692 IonicContact OD2-NH2 2.72Å; D573-R692 PolarHBondContact OD2-NH2 2.98Å; S690-R692 VanDerWaalsContact C-N 3.27Å; S690-R692 PolarHBondContact OG-N 3.32Å; R692-T694 WeakPolarHBondContact CB-OG1 3.33Å; R692-T694 PolarHBondContact O-N 3.41Å; R692-T694 VanDerWaalsContact O-N 3.1Å; R692-T695 WeakPolarHBondContact O-CA 3.47Å; R692-T695 VanDerWaalsContact O-CB 3.26Å; R692-T695 WeakPolarHBondContact O-CB 3.2Å; R692-T695 PolarHBondContact O-N 3.5Å; R692-T695 PolarHBondContact O-OG1 2.7Å | ||
| 693 | L | 30.6 | Very low | 29 | Very low | 138 Ų | 138 | 115.3 Ų | 115.3 | 72% | 0.723 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -54.1 | -27.8 | 173.3 | -153.9 | 80.9 | 0 | 0 | 0 | 112.3 | T691 T695 W696 | T691-L693 PolarHBondContact O-N 3.41Å; L693-T695 VanDerWaalsContact C-N 3.27Å; L693-T695 PolarHBondContact O-N 2.93Å; L693-W696 WeakPolarHBondContact O-CB 3.35Å; L693-W696 PolarHBondContact O-N 3.26Å |
| 694 | T | 32.5 | Very low | 29.7 | Very low | 62 Ų | 62 | 110.2 Ų | 110.2 | 38% | 0.38 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.2 | -33 | 173.5 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | R692 W696 I697 S698 | R692-T694 WeakPolarHBondContact CB-OG1 3.33Å; R692-T694 PolarHBondContact O-N 3.41Å; R692-T694 VanDerWaalsContact O-N 3.1Å; T694-W696 PolarHBondContact O-N 2.89Å; T694-I697 PolarHBondContact O-N 3.3Å; T694-S698 PolarHBondContact O-N 3.32Å; T694-S698 VanDerWaalsContact O-N 3.14Å; T694-S698 PolarHBondContact O-OG 2.99Å |
| 695 | T | 33.1 | Very low | 30.1 | Very low | 53 Ų | 53 | 110.5 Ų | 110.5 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.2 | -25.4 | 172.9 | -22.4 | 0 | 0 | 0 | 0 | 111.9 | S690 R692 L693 S698 S699 | S690-T695 WeakPolarHBondContact CB-OG1 3.48Å; S690-T695 PolarHBondContact O-OG1 3.49Å; S690-T695 PolarHBondContact OG-OG1 3.29Å; S690-T695 VanDerWaalsContact OG-OG1 3.07Å; R692-T695 WeakPolarHBondContact O-CA 3.47Å; R692-T695 VanDerWaalsContact O-CB 3.26Å; R692-T695 WeakPolarHBondContact O-CB 3.2Å; R692-T695 PolarHBondContact O-N 3.5Å; R692-T695 PolarHBondContact O-OG1 2.7Å; L693-T695 VanDerWaalsContact C-N 3.27Å; L693-T695 PolarHBondContact O-N 2.93Å; T695-S698 PolarHBondContact O-N 3.21Å; T695-S699 VanDerWaalsContact O-CB 3.25Å; T695-S699 WeakPolarHBondContact O-CB 3.36Å; T695-S699 PolarHBondContact O-N 3.4Å; T695-S699 PolarHBondContact O-OG 3.26Å |
| 696 | W | 27.3 | Very low | 30.4 | Very low | 165 Ų | 165 | 110.3 Ų | 110.3 | 63% | 0.625 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -41.7 | 175.9 | -161 | 79.9 | 0 | 0 | 0 | 110.8 | L693 T694 S699 Q700 | L693-W696 WeakPolarHBondContact O-CB 3.35Å; L693-W696 PolarHBondContact O-N 3.26Å; T694-W696 PolarHBondContact O-N 2.89Å; W696-S699 WeakPolarHBondContact CA-OG 3.38Å; W696-S699 PolarHBondContact O-N 3.49Å; W696-S699 PolarHBondContact O-OG 3.24Å; W696-Q700 HydrophobicContact CE3-CG 4.5Å; W696-Q700 HydrophobicContact CZ3-CG 4.43Å; W696-Q700 PolarHBondContact O-N 3.48Å |
| 697 | I | 30.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.4 | -46.2 | 174 | -59.4 | 175.9 | 0 | 0 | 0 | 110.4 | T694 S699 Q700 A701 | T694-I697 PolarHBondContact O-N 3.3Å; I697-S699 VanDerWaalsContact C-N 3.28Å; I697-S699 PolarHBondContact O-N 2.92Å; I697-Q700 PolarHBondContact O-N 3.42Å; I697-A701 PolarHBondContact O-N 3.36Å; I697-A701 VanDerWaalsContact O-N 3.16Å |
| 698 | S | 30.5 | Very low | 31.4 | Very low | 50 Ų | 50 | 113.8 Ų | 113.8 | 35% | 0.35 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.8 | -30.1 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | T694 T695 A701 S702 | T694-S698 PolarHBondContact O-N 3.32Å; T694-S698 VanDerWaalsContact O-N 3.14Å; T694-S698 PolarHBondContact O-OG 2.99Å; T695-S698 PolarHBondContact O-N 3.21Å; S698-A701 PolarHBondContact O-N 2.93Å; S698-S702 VanDerWaalsContact O-CB 3.24Å; S698-S702 WeakPolarHBondContact O-CB 3.36Å; S698-S702 PolarHBondContact O-N 3.22Å; S698-S702 PolarHBondContact O-OG 2.96Å |
| 699 | S | 30 | Very low | 31.9 | Very low | 56 Ų | 56 | 106.7 Ų | 106.7 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.7 | -30.4 | 176.8 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | T695 W696 I697 S703 | T695-S699 VanDerWaalsContact O-CB 3.25Å; T695-S699 WeakPolarHBondContact O-CB 3.36Å; T695-S699 PolarHBondContact O-N 3.4Å; T695-S699 PolarHBondContact O-OG 3.26Å; W696-S699 WeakPolarHBondContact CA-OG 3.38Å; W696-S699 PolarHBondContact O-N 3.49Å; W696-S699 PolarHBondContact O-OG 3.24Å; I697-S699 VanDerWaalsContact C-N 3.28Å; I697-S699 PolarHBondContact O-N 2.92Å; S699-S703 WeakPolarHBondContact O-CB 3.33Å; S699-S703 PolarHBondContact O-N 3.26Å; S699-S703 PolarHBondContact O-OG 3.44Å |
| 700 | Q | 29 | Very low | 32.3 | Very low | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 171.2 | -75.1 | -77.5 | -3.9 | 0 | 0 | 110.9 | W696 I697 S703 S704 | W696-Q700 HydrophobicContact CE3-CG 4.5Å; W696-Q700 HydrophobicContact CZ3-CG 4.43Å; W696-Q700 PolarHBondContact O-N 3.48Å; I697-Q700 PolarHBondContact O-N 3.42Å; Q700-S703 PolarHBondContact O-OG 3.01Å; Q700-S703 VanDerWaalsContact O-OG 3.11Å; Q700-S704 PolarHBondContact O-N 3.45Å; Q700-S704 PolarHBondContact O-OG 3.09Å |
| 701 | A | 31.7 | Very low | 32.8 | Very low | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | I697 S698 S704 L705 | I697-A701 PolarHBondContact O-N 3.36Å; I697-A701 VanDerWaalsContact O-N 3.16Å; S698-A701 PolarHBondContact O-N 2.93Å; A701-S704 WeakPolarHBondContact CA-OG 3.41Å; A701-S704 PolarHBondContact O-OG 3.19Å; A701-L705 PolarHBondContact O-N 3.37Å |
| 702 | S | 32.4 | Very low | 33.4 | Very low | 62 Ų | 62 | 105.2 Ų | 105.2 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -80.7 | -28.4 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | S698 R706 | S698-S702 VanDerWaalsContact O-CB 3.24Å; S698-S702 WeakPolarHBondContact O-CB 3.36Å; S698-S702 PolarHBondContact O-N 3.22Å; S698-S702 PolarHBondContact O-OG 2.96Å; S702-R706 PolarHBondContact O-N 2.99Å |
| 703 | S | 33.4 | Very low | 33.6 | Very low | 58 Ų | 58 | 108.5 Ų | 108.5 | 41% | 0.406 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.6 | -31.3 | 176.5 | 68.8 | 0 | 0 | 0 | 0 | 112 | S699 Q700 R706 R707 | S699-S703 WeakPolarHBondContact O-CB 3.33Å; S699-S703 PolarHBondContact O-N 3.26Å; S699-S703 PolarHBondContact O-OG 3.44Å; Q700-S703 PolarHBondContact O-OG 3.01Å; Q700-S703 VanDerWaalsContact O-OG 3.11Å; S703-R706 PolarHBondContact O-N 3.28Å; S703-R707 PolarHBondContact O-N 3.12Å; S703-R707 VanDerWaalsContact O-N 3.11Å |
| 704 | S | 37.3 | Very low | 33.8 | Very low | 69 Ų | 69 | 109.4 Ų | 109.4 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -43.5 | 170.9 | 26.4 | 0 | 0 | 0 | 0 | 111.4 | Q700 A701 R707 | Q700-S704 PolarHBondContact O-N 3.45Å; Q700-S704 PolarHBondContact O-OG 3.09Å; A701-S704 WeakPolarHBondContact CA-OG 3.41Å; A701-S704 PolarHBondContact O-OG 3.19Å; S704-R707 PolarHBondContact O-N 2.96Å |
| 705 | L | 35.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.5 | -34.4 | 174 | -70.9 | 169.5 | 0 | 0 | 0 | 113.6 | A701 E708 S709 | A701-L705 PolarHBondContact O-N 3.37Å; L705-E708 PolarHBondContact O-N 2.82Å; L705-S709 PolarHBondContact O-N 3.41Å |
| 706 | R | 33.6 | Very low | 33.8 | Very low | 181 Ų | 181 | 122.2 Ų | 122.2 | 68% | 0.683 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.2 | -33.3 | 176.9 | -82.5 | -169.4 | -171.1 | -169.8 | 2.9 | 113 | S702 S703 E708 S709 I710 | S702-R706 PolarHBondContact O-N 2.99Å; S703-R706 PolarHBondContact O-N 3.28Å; R706-E708 VanDerWaalsContact C-N 3.33Å; R706-E708 PolarHBondContact O-N 3.26Å; R706-S709 WeakPolarHBondContact CA-OG 3.45Å; R706-S709 PolarHBondContact O-N 3.5Å; R706-S709 PolarHBondContact O-OG 2.77Å; R706-I710 WeakPolarHBondContact O-CG1 3.39Å; R706-I710 PolarHBondContact O-N 3.27Å |
| 707 | R | 35.4 | Very low | 33.9 | Very low | 197 Ų | 197 | 123.6 Ų | 123.6 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.9 | -39.2 | 176.8 | -99.9 | -176.9 | -177.2 | 161.9 | 1.1 | 112.3 | S703 S704 I710 L711 | S703-R707 PolarHBondContact O-N 3.12Å; S703-R707 VanDerWaalsContact O-N 3.11Å; S704-R707 PolarHBondContact O-N 2.96Å; R707-I710 PolarHBondContact O-N 3.25Å; R707-L711 PolarHBondContact O-N 2.85Å; R707-L711 VanDerWaalsContact O-N 3.13Å |
| 708 | E | 38.2 | Very low | 34 | Very low | 133 Ų | 133 | 127 Ų | 127 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.7 | -39.7 | 175.7 | -71.7 | -167.3 | 155.6 | 0 | 0 | 112.3 | L705 R706 I710 L711 M712 | L705-E708 PolarHBondContact O-N 2.82Å; R706-E708 VanDerWaalsContact C-N 3.33Å; R706-E708 PolarHBondContact O-N 3.26Å; E708-I710 PolarHBondContact O-N 3.44Å; E708-L711 PolarHBondContact O-N 2.77Å; E708-M712 PolarHBondContact O-N 2.76Å; E708-M712 VanDerWaalsContact O-N 3.13Å |
| 709 | S | 38.6 | Very low | 33.9 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.2 | -34.4 | 178.2 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | L705 R706 M712 Y713 | L705-S709 PolarHBondContact O-N 3.41Å; R706-S709 WeakPolarHBondContact CA-OG 3.45Å; R706-S709 PolarHBondContact O-N 3.5Å; R706-S709 PolarHBondContact O-OG 2.77Å; S709-M712 PolarHBondContact O-N 3.24Å; S709-Y713 PolarHBondContact O-N 3.41Å |
| 710 | I | 37 | Very low | 33.8 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 50% | 0.497 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -76.1 | -34.3 | 178.9 | -66 | 171.7 | 0 | 0 | 0 | 111.2 | R706 R707 E708 M712 Y713 H714 | R706-I710 WeakPolarHBondContact O-CG1 3.39Å; R706-I710 PolarHBondContact O-N 3.27Å; R707-I710 PolarHBondContact O-N 3.25Å; E708-I710 PolarHBondContact O-N 3.44Å; I710-M712 VanDerWaalsContact C-N 3.33Å; I710-Y713 PolarHBondContact O-N 3.18Å; I710-H714 PolarHBondContact O-N 3.43Å |
| 711 | L | 37.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 71% | 0.707 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.3 | -31.5 | 173.2 | -105.4 | 116.9 | 0 | 0 | 0 | 112.6 | R707 E708 Y713 | R707-L711 PolarHBondContact O-N 2.85Å; R707-L711 VanDerWaalsContact O-N 3.13Å; E708-L711 PolarHBondContact O-N 2.77Å; L711-Y713 VanDerWaalsContact C-N 3.34Å |
| 712 | M | 38.1 | Very low | 33.3 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 77% | 0.768 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -70.1 | -29.8 | 171.9 | -72.4 | -141.1 | -148.1 | 0 | 0 | 113.1 | E708 S709 I710 | E708-M712 PolarHBondContact O-N 2.76Å; E708-M712 VanDerWaalsContact O-N 3.13Å; S709-M712 PolarHBondContact O-N 3.24Å; I710-M712 VanDerWaalsContact C-N 3.33Å |
| 713 | Y | 32.6 | Very low | 33 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -79.6 | -24.7 | -179 | -131.6 | -93.2 | 0 | 0 | 0 | 113.7 | S709 I710 L711 | S709-Y713 PolarHBondContact O-N 3.41Å; I710-Y713 PolarHBondContact O-N 3.18Å; L711-Y713 VanDerWaalsContact C-N 3.34Å |
| 714 | H | 34.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -8.7 | 179.3 | -87.2 | -67.8 | 0 | 0 | 0 | 115.3 | I710 | I710-H714 PolarHBondContact O-N 3.43Š|
| 715 | K | 34.9 | Very low | 31.9 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 5.4 | 175.6 | -92.7 | -172.1 | 176.2 | -178.5 | 0 | 115.7 | ||
| 716 | K | 32.4 | Very low | 31.3 | Very low | 192 Ų | 192 | 150.9 Ų | 150.9 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | trans | -122.1 | 61.9 | 171.7 | -80.3 | -173.3 | 175.7 | -179.8 | 0 | 112.3 | ||||
| 717 | K | 29 | Very low | 30.8 | Very low | 195 Ų | 195 | 149 Ų | 149 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -139 | 69 | 158.6 | -92.3 | -169.6 | 175.4 | -178.8 | 0 | 109.2 | ||||
| 718 | H | 31.4 | Very low | 30.2 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -113.5 | 114.1 | 154.6 | -87.1 | -69.6 | 0 | 0 | 0 | 108.4 | ||||
| 719 | S | 28.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -50.2 | 120.4 | 174 | 48 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 720 | G | 29.1 | Very low | 29 | Very low | 65 Ų | 65 | 152.8 Ų | 152.8 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | -132 | 101.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | F722 | G720-F722 PolarHBondContact O-N 3.3Š| ||
| 721 | S | 27.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 159.6 Ų | 159.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 122.9 | 179.8 | -163.8 | 0 | 0 | 0 | 0 | 110.2 | N723 | S721-N723 PolarHBondContact O-N 2.98Š| ||
| 722 | F | 23.1 | Very low | 27.6 | Very low | 189 Ų | 189 | 159.1 Ų | 159.1 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -62.3 | 110.3 | 171.2 | -88.5 | -102.3 | 0 | 0 | 0 | 109.2 | G720 | G720-F722 PolarHBondContact O-N 3.3Š| ||
| 723 | N | 25.7 | Very low | 26.9 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -114.8 | 107.2 | 159.4 | -88.4 | -15 | 0 | 0 | 0 | 108.5 | S721 V725 | S721-N723 PolarHBondContact O-N 2.98Å; N723-V725 PolarHBondContact O-N 3.36Å | ||
| 724 | F | 21.9 | Very low | 26.7 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | trans | -47.4 | 121.9 | 161.7 | -101.2 | -103.6 | 0 | 0 | 0 | 110.6 | ||||
| 725 | V | 26.1 | Very low | 26.1 | Very low | 142 Ų | 142 | 156.2 Ų | 156.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -143.8 | 123.7 | 143.1 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | N723 | N723-V725 PolarHBondContact O-N 3.36Š| ||
| 726 | N | 21.9 | Very low | 25.7 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 63% | 0.631 | 82% | 0.817 | S | S | * | * | trans | -60.9 | 161.4 | 175.7 | -85.9 | -31.6 | 0 | 0 | 0 | 114.8 | ||||
| 727 | N | 23.3 | Very low | 25.3 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 70.2 | 110.7 | 143.8 | -73 | -12.6 | 0 | 0 | 0 | 118.2 | ||||
| 728 | C | 23.1 | Very low | 25.1 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | 167.9 | 132.5 | 84.8 | -107.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 729 | S | 23.5 | Very low | 24.9 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -47.7 | 139.6 | 164 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 730 | R | 26.3 | Very low | 24.8 | Very low | 249 Ų | 249 | 147.5 Ų | 147.5 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | -164.3 | 120 | 136.6 | -108.6 | 167.8 | -168.1 | -167.8 | 3.7 | 112.2 | ||||
| 731 | R | 23.2 | Very low | 24.6 | Very low | 241 Ų | 241 | 155.3 Ų | 155.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | trans | -25.6 | 139.9 | 155.4 | -83.1 | 169 | 163 | 166 | -4.9 | 114.1 | ||||
| 732 | C | 24.3 | Very low | 24.5 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | -166.3 | 104.7 | 123.2 | -107.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 733 | S | 22.9 | Very low | 24.6 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -58.3 | 124.1 | 156 | 45.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 734 | K | 27.1 | Very low | 24.5 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -142.9 | 107.2 | 158.9 | -114.1 | 177.9 | -178.5 | 179.4 | 0 | 110.4 | ||||
| 735 | V | 23.3 | Very low | 24.7 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -63.1 | 125.6 | 163.3 | 173.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 736 | M | 25.4 | Very low | 24.7 | Very low | 179 Ų | 179 | 153.2 Ų | 153.2 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -148.4 | 101.3 | 153 | -76.9 | -153.8 | 135.4 | 0 | 0 | 106.2 | ||||
| 737 | S | 24.5 | Very low | 24.9 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | 64.4 | 97 | 82.9 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 738 | T | 24.9 | Very low | 25 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | -23 | 131 | 160.1 | 50.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 739 | D | 27 | Very low | 25.2 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -135.2 | 98.2 | 150.6 | -149 | -8.8 | 0 | 0 | 0 | 109.7 | R741 | D739-R741 PolarHBondContact O-N 3.34Š| ||
| 740 | N | 25.6 | Very low | 25.3 | Very low | 155 Ų | 155 | 158.8 Ų | 158.8 | 83% | 0.829 | 84% | 0.839 | S | S | * | * | trans | -88.2 | 81.2 | 178.8 | -95.3 | -23.4 | 0 | 0 | 0 | 109.2 | ||||
| 741 | R | 24.9 | Very low | 25.4 | Very low | 229 Ų | 229 | 151.4 Ų | 151.4 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -151.4 | 91 | 166.4 | -77.4 | -172.1 | -162.4 | 177.2 | 7.8 | 112 | D739 | D739-R741 PolarHBondContact O-N 3.34Š| ||
| 742 | A | 26.9 | Very low | 25.5 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -178.4 | 59.9 | 147 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 743 | V | 25.1 | Very low | 25.6 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | -126.3 | 78.7 | 164.4 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 744 | S | 24 | Very low | 25.7 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -164.6 | 92 | 165.3 | 174.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 745 | K | 25 | Very low | 25.5 | Very low | 196 Ų | 196 | 147.9 Ų | 147.9 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | 165.6 | 104.6 | 152.9 | -94.2 | 165.1 | -173.5 | -172.8 | 0 | 107 | ||||
| 746 | I | 27.1 | Very low | 25.7 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | 164.6 | 70.2 | 147.9 | -75 | 148.4 | 0 | 0 | 0 | 105 | ||||
| 747 | I | 25.1 | Very low | 25.8 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -142.6 | 82.9 | 156.6 | -57.9 | -178.4 | 0 | 0 | 0 | 103.8 | ||||
| 748 | D | 25.4 | Very low | 25.9 | Very low | 162 Ų | 162 | 147.1 Ų | 147.1 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -163.8 | 92.6 | 159.1 | -94.7 | -28.9 | 0 | 0 | 0 | 107.9 | ||||
| 749 | G | 27.8 | Very low | 25.9 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -155.9 | 50.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S751 | G749-S751 PolarHBondContact O-N 3.42Š| ||
| 750 | K | 26.3 | Very low | 26.1 | Very low | 202 Ų | 202 | 150.1 Ų | 150.1 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | trans | -76.2 | 95.8 | 171.2 | -73.7 | -178.8 | 178.2 | 175.5 | 0 | 108.7 | ||||
| 751 | S | 27.4 | Very low | 26.3 | Very low | 94 Ų | 94 | 150.1 Ų | 150.1 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | trans | -93.1 | 113.2 | 162.8 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | G749 F753 | G749-S751 PolarHBondContact O-N 3.42Å; S751-F753 PolarHBondContact O-N 2.98Å | ||
| 752 | Q | 24.7 | Very low | 26.3 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -59.5 | 118.5 | 173.1 | -78.7 | 168.7 | -45.6 | 0 | 0 | 110.7 | ||||
| 753 | F | 26.9 | Very low | 26.5 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 107.6 | 161 | -89 | -87.5 | 0 | 0 | 0 | 108.4 | S751 C755 | S751-F753 PolarHBondContact O-N 2.98Å; F753-C755 PolarHBondContact O-N 3.03Å | ||
| 754 | S | 24.8 | Very low | 26.4 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 107.4 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | F756 | S754-F756 PolarHBondContact O-N 2.86Š| ||
| 755 | C | 24.5 | Very low | 26.7 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -74.9 | 114.3 | 165.9 | -73.2 | 0 | 0 | 0 | 0 | 109.1 | F753 T757 | F753-C755 PolarHBondContact O-N 3.03Å; C755-T757 PolarHBondContact O-N 3.21Å | ||
| 756 | F | 26.8 | Very low | 26.8 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 90% | 0.899 | 81% | 0.805 | S | S | * | * | trans | -63.7 | 110.8 | 167.6 | -95.3 | -95.4 | 0 | 0 | 0 | 109.4 | S754 G758 | S754-F756 PolarHBondContact O-N 2.86Å; F756-G758 PolarHBondContact O-N 3.43Å | ||
| 757 | T | 26.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 145 Ų | 145 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | trans | -77.9 | 104.5 | 167.5 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | C755 D759 | C755-T757 PolarHBondContact O-N 3.21Å; T757-D759 PolarHBondContact O-N 3.44Å | ||
| 758 | G | 27 | Very low | 27 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -81.2 | 103.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F756 H760 | F756-G758 PolarHBondContact O-N 3.43Å; G758-H760 PolarHBondContact O-N 3.42Å | ||
| 759 | D | 26.4 | Very low | 27.1 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | -61.2 | 113.7 | 167.8 | -80.4 | -36.2 | 0 | 0 | 0 | 110.1 | T757 | T757-D759 PolarHBondContact O-N 3.44Š| ||
| 760 | H | 30.6 | Very low | 27.1 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -125.6 | 100.5 | 158.7 | -85.2 | -59.2 | 0 | 0 | 0 | 109.8 | G758 | G758-H760 PolarHBondContact O-N 3.42Š| ||
| 761 | N | 28.9 | Very low | 27.1 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -51.6 | 138.7 | 173.5 | -89.8 | -37.4 | 0 | 0 | 0 | 112.9 | ||||
| 762 | S | 25.9 | Very low | 27.2 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | trans | -35.8 | 134.4 | 159.8 | 52 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 763 | N | 29.9 | Very low | 28.1 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -160.1 | 93.2 | 137.2 | -93.1 | -25.9 | 0 | 0 | 0 | 109.2 | P765 | N763-P765 WeakPolarHBondContact O-CD 3.34Š| ||
| 764 | L | 24 | Very low | 28.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 134.6 | 159.7 | -92 | 92.9 | 0 | 0 | 0 | 108.9 | ||||
| 765 | P | 30.7 | Very low | 28.4 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -120.1 | 115.2 | 140.2 | 31.2 | -19.5 | 0 | 0 | 0 | 109.3 | N763 K767 | N763-P765 WeakPolarHBondContact O-CD 3.34Å; P765-K767 PolarHBondContact O-N 3Å | ||
| 766 | S | 26.1 | Very low | 28.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -57.1 | 119.2 | 163.9 | 50 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 767 | K | 30.2 | Very low | 28.7 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 90% | 0.904 | 78% | 0.782 | S | S | * | * | trans | -131.7 | 126.2 | 154 | -92.5 | -172.5 | 177.8 | -179.7 | 0 | 110 | P765 | P765-K767 PolarHBondContact O-N 3Š| ||
| 768 | S | 26 | Very low | 28.6 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -94.4 | 151.4 | -174.4 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 769 | V | 27.2 | Very low | 28.7 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 95.2 | 132.5 | 142.7 | 178.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 770 | S | 27.8 | Very low | 28.8 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | 80.5 | 104.3 | 150.3 | 64.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 771 | D | 26.7 | Very low | 28.4 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 62.9 | 127.3 | 113.7 | -63.5 | -26.2 | 0 | 0 | 0 | 122.6 | |||||
| 772 | S | 29.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 96.4 | 143.4 | 142.4 | 71.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 773 | P | 44.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -104.3 | 147.6 | -145.3 | 37.3 | -29.2 | 0 | 0 | 0 | 113 | ||||
| 774 | P | 32 | Very low | 28 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -99.8 | 117.7 | 166.3 | 31.8 | -21.2 | 0 | 0 | 0 | 110.9 | ||||
| 775 | S | 27 | Very low | 28.1 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -49.8 | 146.6 | 158.6 | 47.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 776 | S | 26.7 | Very low | 27.8 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 50.3 | 102.2 | 145.5 | 64.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 777 | F | 29.2 | Very low | 27.7 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | trans | -128.2 | 119.1 | 151.5 | -87.7 | -83.2 | 0 | 0 | 0 | 110.8 | ||||
| 778 | S | 25.7 | Very low | 27.5 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65 | 152.6 | 172.2 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | T780 | S778-T780 PolarHBondContact O-N 3.2Š|
| 779 | P | 28.6 | Very low | 27.4 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118.4 | -166.3 | 31.9 | -32.2 | 0 | 0 | 0 | 112.3 | ||
| 780 | T | 27.3 | Very low | 27.3 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 124.3 | 171.9 | -17.1 | 0 | 0 | 0 | 0 | 110.2 | S778 L782 | S778-T780 PolarHBondContact O-N 3.2Å; T780-L782 PolarHBondContact O-N 3.27Å |
| 781 | L | 23.4 | Very low | 27.1 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.7 | 171.9 | -84.8 | 89.1 | 0 | 0 | 0 | 111.5 | ||
| 782 | L | 26.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 96.2 | 162.2 | -91.7 | 158.4 | 0 | 0 | 0 | 110.2 | T780 | T780-L782 PolarHBondContact O-N 3.27Š| ||
| 783 | T | 25.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | -1.4 | 117.1 | 150.2 | 47.4 | 0 | 0 | 0 | 0 | 119.5 | T785 | T783-T785 PolarHBondContact O-N 2.9Š| ||
| 784 | K | 23.7 | Very low | 26 | Very low | 211 Ų | 211 | 143.4 Ų | 143.4 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 11.5 | 93.6 | 139.1 | -71.2 | 179.8 | 175.2 | 176 | 0 | 116.9 | ||||
| 785 | T | 25.8 | Very low | 26.6 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -87.5 | 124.8 | 154.9 | 26.5 | 0 | 0 | 0 | 0 | 109.9 | T783 L787 | T783-T785 PolarHBondContact O-N 2.9Å; T785-L787 PolarHBondContact O-N 3.29Å | ||
| 786 | R | 24.4 | Very low | 26.5 | Very low | 244 Ų | 244 | 147.2 Ų | 147.2 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -64.7 | 120.5 | -176.5 | -69.4 | 176.3 | 174.6 | -173.7 | -2.3 | 110.6 | S788 | R786-S788 PolarHBondContact O-N 3.45Å; R786-S788 VanDerWaalsContact O-N 3.1Å | ||
| 787 | L | 24.9 | Very low | 26.7 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 95% | 0.953 | 83% | 0.826 | S | S | * | * | trans | -66.7 | 101 | 165.4 | -80.1 | 155.8 | 0 | 0 | 0 | 109 | T785 | T785-L787 PolarHBondContact O-N 3.29Š| ||
| 788 | S | 25.7 | Very low | 26.6 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -74.7 | 125.3 | 167.2 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | R786 I790 | R786-S788 PolarHBondContact O-N 3.45Å; R786-S788 VanDerWaalsContact O-N 3.1Å; S788-I790 PolarHBondContact O-N 3.46Å | ||
| 789 | S | 23.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -31.9 | 113.8 | 168.7 | 49.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 790 | I | 25.2 | Very low | 26.5 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -97.3 | 118.5 | 161.8 | -66.2 | 176.7 | 0 | 0 | 0 | 107.5 | S788 | S788-I790 PolarHBondContact O-N 3.46Š| ||
| 791 | H | 24 | Very low | 26.3 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | trans | -59.8 | 131.5 | 179.9 | -87 | -95.9 | 0 | 0 | 0 | 112.1 | S793 | H791-S793 PolarHBondContact O-N 3.36Š| ||
| 792 | T | 22 | Very low | 26.3 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -73.4 | 111.8 | 166.1 | 49.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 793 | S | 27 | Very low | 26 | Very low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -114 | 122 | 162.1 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | H791 | H791-S793 PolarHBondContact O-N 3.36Š| ||
| 794 | S | 26.7 | Very low | 25.8 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | trans | -69.1 | -175.8 | -172.7 | -30.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 795 | P | 44.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | -116.2 | 164.6 | -98.8 | 28.7 | -8.5 | 0 | 0 | 0 | 114.9 | |||||
| 796 | L | 26.4 | Very low | 25.6 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -39.9 | 128 | 175 | -69 | 144.9 | 0 | 0 | 0 | 114.9 | ||||
| 797 | S | 30.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 127.2 | 164 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 798 | D | 27.8 | Very low | 25.5 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | -66.1 | 162.8 | 179 | -85.1 | -44.6 | 0 | 0 | 0 | 115.3 | ||||
| 799 | T | 27.3 | Very low | 25.7 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 88.4 | 84.5 | 156.2 | 51.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 800 | A | 23.7 | Very low | 25.9 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | 21.7 | 113.9 | 118.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 801 | G | 23.2 | Very low | 26 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -128.2 | 93.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | I803 | G801-I803 PolarHBondContact O-N 2.91Š| ||
| 802 | C | 22.5 | Very low | 26.2 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -75.5 | 110.2 | 171.9 | -86.7 | 0 | 0 | 0 | 0 | 109.3 | L804 | C802-L804 PolarHBondContact O-N 3.37Š| ||
| 803 | I | 21.9 | Very low | 26.4 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -84 | 105 | 168.3 | -62.2 | 174.3 | 0 | 0 | 0 | 106.9 | G801 I805 | G801-I803 PolarHBondContact O-N 2.91Å; I803-I805 HydrophobicContact CG2-CG1 3.93Å; I803-I805 PolarHBondContact O-N 2.96Å | ||
| 804 | L | 21.8 | Very low | 26.3 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -70.6 | 106 | 166.8 | -81.2 | 157.9 | 0 | 0 | 0 | 108 | C802 D806 | C802-L804 PolarHBondContact O-N 3.37Å; L804-D806 PolarHBondContact O-N 2.84Å | ||
| 805 | I | 22.1 | Very low | 26.3 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -90.6 | 101.1 | 169.5 | -54.6 | 179.5 | 0 | 0 | 0 | 106.9 | I803 C807 | I803-I805 HydrophobicContact CG2-CG1 3.93Å; I803-I805 PolarHBondContact O-N 2.96Å; I805-C807 WeakPolarHBondContact CG2-SG 3.33Å; I805-C807 PolarHBondContact O-N 2.93Å; I805-C807 VanDerWaalsContact O-N 3.15Å | ||
| 806 | D | 21.8 | Very low | 25.6 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 85.1 | 171.9 | -163.5 | 7 | 0 | 0 | 0 | 108.7 | L804 N808 | L804-D806 PolarHBondContact O-N 2.84Å; D806-N808 VanDerWaalsContact C-N 3.28Å; D806-N808 PolarHBondContact O-N 3.3Å; D806-N808 VanDerWaalsContact O-N 3.08Å | ||
| 807 | C | 25.5 | Very low | 25.8 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 69% | 0.689 | 79% | 0.79 | S | S | * | * | trans | -81.3 | 78.3 | 173.1 | -74.8 | 0 | 0 | 0 | 0 | 109.8 | I805 E809 | I805-C807 WeakPolarHBondContact CG2-SG 3.33Å; I805-C807 PolarHBondContact O-N 2.93Å; I805-C807 VanDerWaalsContact O-N 3.15Å; C807-E809 PolarHBondContact O-N 3.32Å; C807-E809 VanDerWaalsContact O-N 3.11Å | ||
| 808 | N | 23.2 | Very low | 25.7 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -82.2 | 69.6 | 167.5 | -135.6 | -8.1 | 0 | 0 | 0 | 108.9 | D806 | D806-N808 VanDerWaalsContact C-N 3.28Å; D806-N808 PolarHBondContact O-N 3.3Å; D806-N808 VanDerWaalsContact O-N 3.08Å | ||
| 809 | E | 28.8 | Very low | 25.7 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -96.5 | 95.1 | 172.7 | -73.4 | -146.4 | 159 | 0 | 0 | 111.1 | C807 F811 | C807-E809 PolarHBondContact O-N 3.32Å; C807-E809 VanDerWaalsContact O-N 3.11Å; E809-F811 PolarHBondContact O-N 3.44Å | ||
| 810 | N | 29.1 | Very low | 25.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 23.7 | 92.6 | 144.3 | -67.9 | -43.6 | 0 | 0 | 0 | 117.1 | R812 | N810-R812 PolarHBondContact O-N 2.96Š| ||
| 811 | F | 27.1 | Very low | 25.9 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -53.1 | 96.8 | 159.5 | -80.4 | -93.5 | 0 | 0 | 0 | 110.9 | E809 | E809-F811 PolarHBondContact O-N 3.44Š| ||
| 812 | R | 27.4 | Very low | 26.1 | Very low | 222 Ų | 222 | 146.2 Ų | 146.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 102.6 | 159.6 | -79.7 | -171.7 | 175.8 | -175.8 | 0.3 | 108.6 | N810 F814 | N810-R812 PolarHBondContact O-N 2.96Å; R812-F814 PolarHBondContact O-N 3.45Å | ||
| 813 | N | 27 | Very low | 26.4 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -50.3 | 103 | 170.1 | -72.4 | -32.4 | 0 | 0 | 0 | 111.2 | ||||
| 814 | F | 24.8 | Very low | 26.7 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -94.4 | 95.7 | 156.8 | -88.9 | -83.9 | 0 | 0 | 0 | 107.8 | R812 | R812-F814 PolarHBondContact O-N 3.45Š| ||
| 815 | S | 26.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 120.2 | 166 | -63.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 816 | P | 29.5 | Very low | 27.2 | Very low | 105 Ų | 105 | 148 Ų | 148 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 154.8 | 174.5 | 31.9 | -31.6 | 0 | 0 | 0 | 110.6 | L818 | P816-L818 PolarHBondContact O-N 2.93Š|
| 817 | P | 29.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 119.2 | -170.9 | 29.3 | -31.6 | 0 | 0 | 0 | 110.8 | N819 | P817-N819 PolarHBondContact O-N 3.37Š|
| 818 | L | 28.9 | Very low | 27.6 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 101.6 | 168.8 | -86.7 | 141.6 | 0 | 0 | 0 | 109.1 | P816 S820 | P816-L818 PolarHBondContact O-N 2.93Å; L818-S820 PolarHBondContact O-N 3.45Å | ||
| 819 | N | 28.1 | Very low | 27.7 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -72.5 | 118.9 | 164.8 | -86.7 | -16.2 | 0 | 0 | 0 | 109.5 | P817 V821 | P817-N819 PolarHBondContact O-N 3.37Å; N819-V821 PolarHBondContact O-N 3.02Å | ||
| 820 | S | 26.4 | Very low | 27.6 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -54.2 | 120.4 | 174.4 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | L818 | L818-S820 PolarHBondContact O-N 3.45Š| ||
| 821 | V | 29 | Very low | 27.4 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -115.3 | 112.4 | 157.8 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | N819 Q823 | N819-V821 PolarHBondContact O-N 3.02Å; V821-Q823 PolarHBondContact O-N 3.2Å | ||
| 822 | S | 27.2 | Very low | 27.3 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -54.8 | 115.2 | 177.9 | 36.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 823 | Q | 28.8 | Very low | 27.4 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -95.7 | 115.8 | 162.8 | -77.2 | -175.8 | -14.5 | 0 | 0 | 107.9 | V821 | V821-Q823 PolarHBondContact O-N 3.2Š| ||
| 824 | S | 28.1 | Very low | 27.2 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -66.6 | 130.9 | 172.7 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 825 | T | 26.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -62.3 | 119.8 | 177.8 | 45 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 826 | E | 28.4 | Very low | 27.6 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -110.8 | 114.9 | 156.4 | -83 | -171.8 | 161.2 | 0 | 0 | 109 | V828 | E826-V828 PolarHBondContact O-N 2.86Š| ||
| 827 | N | 26.2 | Very low | 27.4 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -65.4 | 111.9 | -177.4 | -72.4 | -32.4 | 0 | 0 | 0 | 110.9 | ||||
| 828 | V | 27.9 | Very low | 27.3 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -96.1 | 112.4 | 165.2 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | E826 E830 | E826-V828 PolarHBondContact O-N 2.86Å; V828-E830 PolarHBondContact O-N 3.48Å | ||
| 829 | L | 26.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -63.9 | 108.8 | 174.1 | -78.1 | 155.1 | 0 | 0 | 0 | 110 | I831 | L829-I831 PolarHBondContact O-N 3.21Š| ||
| 830 | E | 25.5 | Very low | 27.3 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -69.9 | 121.5 | 168.4 | -83 | -176.9 | 146.9 | 0 | 0 | 110.4 | V828 | V828-E830 PolarHBondContact O-N 3.48Š| ||
| 831 | I | 26.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 108.3 | 168.3 | -63.2 | 175.6 | 0 | 0 | 0 | 107.2 | L829 V833 | L829-I831 PolarHBondContact O-N 3.21Å; I831-V833 HydrophobicContact CG2-CG2 4.5Å; I831-V833 PolarHBondContact O-N 2.95Å | ||
| 832 | D | 24 | Very low | 27.1 | Very low | 123 Ų | 123 | 145 Ų | 145 | 66% | 0.658 | 81% | 0.814 | S | S | * | * | trans | -65.1 | 100.8 | -180 | -163.2 | 12.3 | 0 | 0 | 0 | 110.8 | K834 | D832-K834 WeakPolarHBondContact OD2-CE 3.33Å; D832-K834 IonicContact OD2-NZ 3.99Å | ||
| 833 | V | 29.5 | Very low | 27 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | trans | -103.6 | 90.1 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | I831 G835 | I831-V833 HydrophobicContact CG2-CG2 4.5Å; I831-V833 PolarHBondContact O-N 2.95Å; V833-G835 PolarHBondContact O-N 3.4Å | ||
| 834 | K | 22.9 | Very low | 26.9 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -69.8 | 113.7 | 170.3 | -70.1 | 179.4 | 178.9 | 172.4 | 0 | 110.2 | D832 | D832-K834 WeakPolarHBondContact OD2-CE 3.33Å; D832-K834 IonicContact OD2-NZ 3.99Å | ||
| 835 | G | 28.7 | Very low | 26.8 | Very low | 62 Ų | 62 | 147.2 Ų | 147.2 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | -130.4 | 139 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V833 | V833-G835 PolarHBondContact O-N 3.4Š| ||
| 836 | P | 31.8 | Very low | 26.6 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146.1 | -150.4 | 30.7 | -28.4 | 0 | 0 | 0 | 114.1 | F838 | P836-F838 PolarHBondContact O-N 2.86Š|
| 837 | L | 25.4 | Very low | 26.6 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 119.6 | 175.3 | -70.8 | 142.1 | 0 | 0 | 0 | 112.5 | ||
| 838 | F | 28.1 | Very low | 26.4 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 117.9 | 159.5 | -84.6 | -83.8 | 0 | 0 | 0 | 108.5 | P836 | P836-F838 PolarHBondContact O-N 2.86Š|
| 839 | S | 27.9 | Very low | 26.3 | Very low | 113 Ų | 113 | 144.8 Ų | 144.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 132 | 179.3 | 49 | 0 | 0 | 0 | 0 | 112.6 | G841 | S839-G841 PolarHBondContact O-N 3.13Š|
| 840 | D | 27.1 | Very low | 26.1 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -58.4 | 107.1 | 174.5 | -71.6 | -49.1 | 0 | 0 | 0 | 112.4 | L842 | D840-L842 PolarHBondContact O-N 3.39Š| ||
| 841 | G | 26.2 | Very low | 26.1 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -81.5 | 99.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S839 L843 | S839-G841 PolarHBondContact O-N 3.13Å; G841-L843 PolarHBondContact O-N 3.07Å | ||
| 842 | L | 25.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -49.7 | 101.9 | 167.4 | -86.6 | 134.1 | 0 | 0 | 0 | 111.5 | D840 N844 | D840-L842 PolarHBondContact O-N 3.39Å; L842-N844 PolarHBondContact O-N 3.31Å | ||
| 843 | L | 26.7 | Very low | 26.1 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -88 | 104.6 | 163.9 | -87.4 | 159.1 | 0 | 0 | 0 | 108.8 | G841 N845 | G841-L843 PolarHBondContact O-N 3.07Å; L843-N845 PolarHBondContact O-N 3.36Å; L843-N845 VanDerWaalsContact O-N 3.1Å | ||
| 844 | N | 25.1 | Very low | 25.8 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -55.2 | 104.2 | 175.2 | -117.1 | -16.1 | 0 | 0 | 0 | 110.9 | L842 N846 | L842-N844 PolarHBondContact O-N 3.31Å; N844-N846 PolarHBondContact O-N 2.84Å | ||
| 845 | N | 25.9 | Very low | 26 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -79.4 | 85.6 | 169.7 | -91.4 | -23.6 | 0 | 0 | 0 | 109.7 | L843 | L843-N845 PolarHBondContact O-N 3.36Å; L843-N845 VanDerWaalsContact O-N 3.1Å | ||
| 846 | N | 23.9 | Very low | 25.9 | Very low | 131 Ų | 131 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -112.2 | 88.5 | 163.9 | -92.1 | -14.6 | 0 | 0 | 0 | 108.8 | N844 | N844-N846 PolarHBondContact O-N 2.84Š| ||
| 847 | N | 26.5 | Very low | 25.5 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -141.8 | 71.1 | 159.7 | -88.3 | -30.2 | 0 | 0 | 0 | 108.2 | C849 | N847-C849 PolarHBondContact O-N 3.28Å; N847-C849 VanDerWaalsContact O-N 3.16Å | ||
| 848 | N | 23.5 | Very low | 25.4 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -71.2 | 92.4 | 162.7 | -92.9 | -14.8 | 0 | 0 | 0 | 108.3 | ||||
| 849 | C | 24.3 | Very low | 25.3 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -100 | 93.4 | 162.9 | -73.1 | 0 | 0 | 0 | 0 | 108.2 | N847 M851 | N847-C849 PolarHBondContact O-N 3.28Å; N847-C849 VanDerWaalsContact O-N 3.16Å; C849-M851 PolarHBondContact O-N 2.68Å; C849-M851 VanDerWaalsContact O-N 3.12Å | ||
| 850 | N | 22.9 | Very low | 25.1 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -55.4 | 109.3 | 165.8 | -89.1 | -12.2 | 0 | 0 | 0 | 109.1 | D852 | N850-D852 PolarHBondContact O-N 2.93Š| ||
| 851 | M | 26.5 | Very low | 25 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -89.6 | 93.8 | 163.3 | -85.6 | -81.3 | -148.7 | 0 | 0 | 107.2 | C849 S853 | C849-M851 PolarHBondContact O-N 2.68Å; C849-M851 VanDerWaalsContact O-N 3.12Å; M851-S853 PolarHBondContact O-N 3.25Å; M851-S853 VanDerWaalsContact O-N 3.12Å | ||
| 852 | D | 25.2 | Very low | 25 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -63 | 108.9 | 170.2 | -90.3 | -34 | 0 | 0 | 0 | 109.5 | N850 T854 | N850-D852 PolarHBondContact O-N 2.93Å; D852-T854 PolarHBondContact O-N 2.9Å | ||
| 853 | S | 24.4 | Very low | 25 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -83.6 | 90.4 | 174.4 | 55.6 | 0 | 0 | 0 | 0 | 110 | M851 | M851-S853 PolarHBondContact O-N 3.25Å; M851-S853 VanDerWaalsContact O-N 3.12Å | ||
| 854 | T | 23.1 | Very low | 24.9 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -163.6 | 116.1 | 158.8 | 27.1 | 0 | 0 | 0 | 0 | 108.2 | D852 | D852-T854 PolarHBondContact O-N 2.9Š| ||
| 855 | L | 28.1 | Very low | 25 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -166.2 | 121.6 | 131.3 | -100.5 | 161.5 | 0 | 0 | 0 | 110 | ||||
| 856 | H | 26.4 | Very low | 25.1 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -54.3 | 142.1 | -174.2 | -88.8 | -102.3 | 0 | 0 | 0 | 115.4 | N858 | H856-N858 PolarHBondContact O-N 3.44Š| ||
| 857 | L | 23.8 | Very low | 25.1 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -41.6 | 120.8 | 147.6 | -74.4 | 144.4 | 0 | 0 | 0 | 111.3 | ||||
| 858 | N | 23.1 | Very low | 25.1 | Very low | 154 Ų | 154 | 155 Ų | 155 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | 179.5 | 112.5 | 140.3 | -95.9 | -25.2 | 0 | 0 | 0 | 108.4 | H856 | H856-N858 PolarHBondContact O-N 3.44Š| ||
| 859 | M | 24.9 | Very low | 25.2 | Very low | 190 Ų | 190 | 152.8 Ų | 152.8 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -178 | 97.3 | 133.6 | -98.4 | -176.5 | -150.2 | 0 | 0 | 110.2 | ||||
| 860 | S | 24.7 | Very low | 25.2 | Very low | 103 Ų | 103 | 155 Ų | 155 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | 30.5 | 110.1 | 131.2 | -170.2 | 0 | 0 | 0 | 0 | 118.1 | N862 | S860-N862 PolarHBondContact O-N 2.69Å; S860-N862 VanDerWaalsContact O-N 3.15Å | ||
| 861 | L | 24.5 | Very low | 25.2 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -46.3 | 109.2 | 158.6 | -75.2 | 134.6 | 0 | 0 | 0 | 111.4 | ||||
| 862 | N | 26.5 | Very low | 25.2 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -108.3 | 95.5 | 159.7 | -98.8 | -22.3 | 0 | 0 | 0 | 108.5 | S860 R864 | S860-N862 PolarHBondContact O-N 2.69Å; S860-N862 VanDerWaalsContact O-N 3.15Å; N862-R864 PolarHBondContact O-N 2.89Å | ||
| 863 | N | 24.7 | Very low | 25.1 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -57.1 | 109.7 | 166.9 | -79.5 | -24.4 | 0 | 0 | 0 | 109.7 | ||||
| 864 | R | 25.8 | Very low | 25 | Very low | 236 Ų | 236 | 155.4 Ų | 155.4 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -131.3 | 102.4 | 153.3 | -80.6 | -167 | 177.8 | -174.1 | -0.2 | 109.5 | N862 N866 | N862-R864 PolarHBondContact O-N 2.89Å; R864-N866 PolarHBondContact O-N 3.07Å | ||
| 865 | S | 26.4 | Very low | 24.9 | Very low | 102 Ų | 102 | 155.3 Ų | 155.3 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -43.1 | 114.8 | 165.3 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 866 | N | 27 | Very low | 24.7 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -132.6 | 75.2 | 153.3 | -93.7 | -24.9 | 0 | 0 | 0 | 106.5 | R864 K868 | R864-N866 PolarHBondContact O-N 3.07Å; N866-K868 PolarHBondContact O-N 2.8Å | ||
| 867 | E | 25.3 | Very low | 24.5 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -64.1 | 96.3 | 170 | -73.3 | 178.3 | 153.6 | 0 | 0 | 108.6 | ||||
| 868 | K | 26.8 | Very low | 24.6 | Very low | 196 Ų | 196 | 152.7 Ų | 152.7 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 96.3 | 151.4 | -81.9 | -171.4 | 176.1 | -177.7 | 0 | 106.8 | N866 I870 | N866-K868 PolarHBondContact O-N 2.8Å; K868-I870 PolarHBondContact O-N 3.19Å | ||
| 869 | T | 24.3 | Very low | 24.6 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -52.3 | 101.4 | 173.3 | -26.9 | 0 | 0 | 0 | 0 | 109.1 | D871 | T869-D871 PolarHBondContact O-N 3.41Š| ||
| 870 | I | 25.2 | Very low | 24.7 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -90.4 | 95.6 | 162.5 | -63.7 | 179 | 0 | 0 | 0 | 105.1 | K868 H872 | K868-I870 PolarHBondContact O-N 3.19Å; I870-H872 PolarHBondContact O-N 3.36Å | ||
| 871 | D | 23.7 | Very low | 24.9 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 59% | 0.588 | 74% | 0.738 | S | S | * | * | trans | -59 | 126.4 | 177.1 | -81.4 | -33.2 | 0 | 0 | 0 | 111.5 | T869 | T869-D871 PolarHBondContact O-N 3.41Š| ||
| 872 | H | 25.1 | Very low | 25.2 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | trans | 53.2 | 81.3 | 144.6 | -55.3 | -52 | 0 | 0 | 0 | 118.4 | I870 | I870-H872 PolarHBondContact O-N 3.36Š| ||
| 873 | I | 23.6 | Very low | 25.5 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | trans | -94.8 | 91.2 | 139.2 | -58 | 178.5 | 0 | 0 | 0 | 106.3 | P875 | I873-P875 WeakPolarHBondContact O-CD 3.45Š| ||
| 874 | K | 21.4 | Very low | 25.7 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.9 | 168.6 | -76.4 | -176.3 | 176.7 | -179.8 | 0 | 107.7 | T876 | K874-T876 PolarHBondContact O-N 3.06Å; K874-T876 VanDerWaalsContact O-N 3.16Å |
| 875 | P | 22.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 122 | 168 | -14.8 | 28 | 0 | 0 | 0 | 107 | I873 N877 | I873-P875 WeakPolarHBondContact O-CD 3.45Å; P875-N877 PolarHBondContact O-N 2.75Å; P875-N877 VanDerWaalsContact O-N 3.09Å |
| 876 | T | 24.2 | Very low | 25.8 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.1 | 169.2 | 45.8 | 0 | 0 | 0 | 0 | 106.8 | K874 Y878 | K874-T876 PolarHBondContact O-N 3.06Å; K874-T876 VanDerWaalsContact O-N 3.16Å; T876-Y878 WeakPolarHBondContact O-CD2 3.27Å; T876-Y878 PolarHBondContact O-N 3.11Å; T876-Y878 VanDerWaalsContact OG1-CE2 3.28Å; T876-Y878 WeakPolarHBondContact OG1-CE2 3.34Å |
| 877 | N | 22.3 | Very low | 25.7 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | trans | -56 | 88.4 | 174.4 | -72.6 | -11.2 | 0 | 0 | 0 | 109.4 | P875 E879 | P875-N877 PolarHBondContact O-N 2.75Å; P875-N877 VanDerWaalsContact O-N 3.09Å; N877-E879 PolarHBondContact O-N 2.76Å | ||
| 878 | Y | 24.9 | Very low | 25.7 | Very low | 190 Ų | 190 | 120.4 Ų | 120.4 | 75% | 0.745 | 63% | 0.631 | S | S | * | * | trans | -82.1 | 100.4 | 157.6 | -76.2 | -82.8 | 0 | 0 | 0 | 104.9 | T876 P880 | T876-Y878 WeakPolarHBondContact O-CD2 3.27Å; T876-Y878 PolarHBondContact O-N 3.11Å; T876-Y878 VanDerWaalsContact OG1-CE2 3.28Å; T876-Y878 WeakPolarHBondContact OG1-CE2 3.34Å; Y878-P880 WeakPolarHBondContact O-CD 3.43Å | ||
| 879 | E | 23.5 | Very low | 25.5 | Very low | 167 Ų | 167 | 114.8 Ų | 114.8 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | trans | -63.8 | 123.5 | 156.9 | -81.3 | -174.5 | 163.5 | 0 | 0 | 106.6 | N877 V881 | N877-E879 PolarHBondContact O-N 2.76Å; E879-V881 PolarHBondContact O-N 2.94Å | ||
| 880 | P | 27.4 | Very low | 25.5 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 43% | 0.429 | 64% | 0.638 | S | S | . | * | trans | -67.1 | 103.5 | 178.3 | 24.4 | -29.7 | 0 | 0 | 0 | 108.5 | L229 Y878 | L229-P880 HydrophobicContact CD1-CB 3.96Å; Y878-P880 WeakPolarHBondContact O-CD 3.43Å | ||
| 881 | V | 28.6 | Very low | 25.6 | Very low | 62 Ų | 62 | 114.5 Ų | 114.5 | 38% | 0.376 | 64% | 0.639 | S | S | . | * | trans | -92.5 | 107.5 | 175.6 | -170.7 | 0 | 0 | 0 | 0 | 108.1 | E879 G883 A884 | E879-V881 PolarHBondContact O-N 2.94Å; V881-G883 PolarHBondContact O-N 3.42Å; V881-A884 WeakPolarHBondContact CB-O 3.43Å; V881-A884 HydrophobicContact CG1-CB 3.91Å; V881-A884 WeakPolarHBondContact CG1-O 3.39Å | ||
| 882 | F | 31 | Very low | 25.8 | Very low | 7 Ų | 7 | 116.5 Ų | 116.5 | 3% | 0.031 | 65% | 0.649 | C | S | . | * | S | Bend | trans | -55.3 | 108.5 | 161.5 | -102.7 | -94.9 | 0 | 0 | 0 | 108.5 | D137 L141 L229 Q235 P236 A884 | D137-F882 HydrophobicContact CB-CE1 4.38Å; L141-F882 HydrophobicContact CD1-CE1 3.75Å; L141-F882 HydrophobicContact CD1-CE2 4.39Å; L141-F882 HydrophobicContact CD1-CZ 3.45Å; L141-F882 VanDerWaalsContact CD1-CZ 3.45Å; L229-F882 HydrophobicContact CB-CE2 3.79Å; L229-F882 HydrophobicContact CB-CZ 4.18Å; L229-F882 HydrophobicContact CD1-CD2 4.2Å; L229-F882 HydrophobicContact CD1-CE2 3.75Å; L229-F882 HydrophobicContact CG-CE2 4.39Å; Q235-F882 HydrophobicContact CB-CD2 3.97Å; Q235-F882 HydrophobicContact CB-CE2 3.53Å; Q235-F882 HydrophobicContact CB-CZ 4.26Å; Q235-F882 HydrophobicContact CG-CE2 4.24Å; P236-F882 HydrophobicContact CB-CB 3.77Å; P236-F882 HydrophobicContact CB-CD1 4.49Å; P236-F882 HydrophobicContact CB-CG 4.04Å; F882-A884 PolarHBondContact O-N 3.41Å |
| 883 | G | 32.8 | Very low | 26.1 | Very low | 36 Ų | 36 | 116.6 Ų | 116.6 | 37% | 0.371 | 66% | 0.655 | S | S | . | * | S | Bend | trans | 71.4 | 11.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | V881 | V881-G883 PolarHBondContact O-N 3.42Š|
| 884 | A | 27.5 | Very low | 26.5 | Very low | 21 Ų | 21 | 114.7 Ų | 114.7 | 17% | 0.174 | 66% | 0.656 | C | S | . | * | trans | -139.4 | 127.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I243 V881 F882 | I243-A884 HydrophobicContact CG2-CB 3.93Å; V881-A884 WeakPolarHBondContact CB-O 3.43Å; V881-A884 HydrophobicContact CG1-CB 3.91Å; V881-A884 WeakPolarHBondContact CG1-O 3.39Å; F882-A884 PolarHBondContact O-N 3.41Å | ||
| 885 | L | 29.4 | Very low | 27 | Very low | 117 Ų | 117 | 110.2 Ų | 110.2 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 146.6 | -176 | -83.8 | 161.1 | 0 | 0 | 0 | 113.3 | ||
| 886 | P | 26.1 | Very low | 27.3 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.4 | 170.8 | 9.9 | 2 | 0 | 0 | 0 | 112.1 | ||
| 887 | F | 25.2 | Very low | 27.4 | Very low | 198 Ų | 198 | 116.6 Ų | 116.6 | 87% | 0.868 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -78 | 123.6 | 173.4 | -70.8 | -90.9 | 0 | 0 | 0 | 111.1 | ||
| 888 | T | 23.7 | Very low | 27.7 | Very low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | -109 | 103 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 889 | G | 24.1 | Very low | 27.9 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -91.6 | 128.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | C891 | G889-C891 PolarHBondContact O-N 3.45Š| ||
| 890 | T | 23.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 112.1 Ų | 112.1 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -77.6 | 108.7 | 176 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 891 | C | 26.5 | Very low | 28.6 | Very low | 126 Ų | 126 | 115 Ų | 115 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | trans | -99.8 | 126.9 | 164.4 | -92.7 | 0 | 0 | 0 | 0 | 109.9 | G889 | G889-C891 PolarHBondContact O-N 3.45Š| ||
| 892 | N | 29.2 | Very low | 29.2 | Very low | 151 Ų | 151 | 115 Ų | 115 | 81% | 0.807 | 69% | 0.685 | S | S | * | * | trans | -70.7 | 134.4 | 175.2 | -77.5 | -23.7 | 0 | 0 | 0 | 110.4 | ||||
| 893 | N | 30.2 | Very low | 29.7 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 72.9 | 127 | 164 | -63.1 | -19.4 | 0 | 0 | 0 | 118 | ||
| 894 | S | 31.8 | Very low | 30.4 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 77.9 | 108.5 | 172.3 | 72.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 895 | G | 32.4 | Very low | 31.6 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | 57.1 | 111.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q897 | G895-Q897 PolarHBondContact O-N 3.22Š| ||
| 896 | L | 28.8 | Very low | 32.6 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 96% | 0.958 | 73% | 0.731 | S | S | * | * | trans | -53.9 | 96.3 | 171.5 | -85.9 | 91.5 | 0 | 0 | 0 | 111.6 | ||||
| 897 | Q | 27.2 | Very low | 33.9 | Very low | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -125.2 | 103.9 | 152.8 | -75.7 | -163.2 | 2.1 | 0 | 0 | 108 | G895 K899 | G895-Q897 PolarHBondContact O-N 3.22Å; Q897-K899 PolarHBondContact O-N 3.26Å; Q897-K899 VanDerWaalsContact O-N 3.07Å | ||
| 898 | T | 27.9 | Very low | 35.5 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 91% | 0.908 | 70% | 0.699 | S | S | * | * | trans | -67.1 | 99 | 168.2 | 38.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 899 | K | 28.4 | Very low | 37.4 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | -105.6 | 130.2 | 160.1 | -90.8 | -172.2 | 174.7 | -177.4 | 0 | 109.1 | Q897 F901 | Q897-K899 PolarHBondContact O-N 3.26Å; Q897-K899 VanDerWaalsContact O-N 3.07Å; K899-F901 HydrophobicContact CB-CZ 4.45Å; K899-F901 WeakPolarHBondContact O-CD2 3.34Å; K899-F901 WeakPolarHBondContact O-CE2 3.44Å | ||
| 900 | S | 31.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -70.3 | 129.8 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 901 | F | 34.4 | Very low | 40.1 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 55% | 0.553 | 68% | 0.679 | S | S | * | * | trans | -109.6 | 139.1 | 172.1 | -62.5 | -80.9 | 0 | 0 | 0 | 109.1 | K899 E905 I909 | K899-F901 HydrophobicContact CB-CZ 4.45Å; K899-F901 WeakPolarHBondContact O-CD2 3.34Å; K899-F901 WeakPolarHBondContact O-CE2 3.44Å; F901-E905 HydrophobicContact CB-CB 4.14Å; F901-E905 HydrophobicContact CD1-CB 4.21Å; F901-I909 HydrophobicContact CD1-CD1 4.37Å; F901-I909 HydrophobicContact CE1-CD1 4.36Å | ||
| 902 | S | 42.4 | Very low | 41.1 | Very low | 61 Ų | 61 | 119 Ų | 119 | 43% | 0.427 | 66% | 0.659 | S | S | . | * | trans | -66.4 | 153.7 | 166.2 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | K904 E905 A906 | S902-K904 PolarHBondContact O-N 3.28Å; S902-K904 VanDerWaalsContact O-N 3.12Å; S902-E905 WeakPolarHBondContact CB-OE2 3.41Å; S902-E905 PolarHBondContact N-OE2 3.07Å; S902-E905 WeakPolarHBondContact O-CB 3.39Å; S902-E905 PolarHBondContact O-N 3.47Å; S902-E905 VanDerWaalsContact OG-CD 3.3Å; S902-E905 WeakPolarHBondContact OG-CG 3.47Å; S902-E905 PolarHBondContact OG-OE2 3.08Å; S902-A906 PolarHBondContact O-N 3.36Å | ||
| 903 | F | 40.8 | Very low | 41.7 | Very low | 169 Ų | 169 | 117.6 Ų | 117.6 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -54.1 | -34.1 | 178.8 | -175.1 | -106.1 | 0 | 0 | 0 | 112.7 | A906 L907 | F903-A906 PolarHBondContact O-N 3.35Å; F903-L907 HydrophobicContact CD1-CD1 3.84Å; F903-L907 HydrophobicContact CE1-CD1 3.53Å; F903-L907 HydrophobicContact CE1-CG 4.26Å; F903-L907 HydrophobicContact CZ-CD1 4.15Å; F903-L907 HydrophobicContact CZ-CG 4.47Å; F903-L907 WeakPolarHBondContact O-CG 3.34Å; F903-L907 PolarHBondContact O-N 3.12Å; F903-L907 VanDerWaalsContact O-N 3.11Å |
| 904 | K | 48.1 | Very low | 42.3 | Very low | 141 Ų | 141 | 113.6 Ų | 113.6 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 175.5 | -165.3 | 172.7 | -176.2 | 172.4 | 0 | 112.2 | S902 L907 I908 | S902-K904 PolarHBondContact O-N 3.28Å; S902-K904 VanDerWaalsContact O-N 3.12Å; K904-L907 PolarHBondContact O-N 3.28Å; K904-I908 WeakPolarHBondContact O-CG1 3.39Å; K904-I908 PolarHBondContact O-N 3.24Å |
| 905 | E | 52.1 | Low | 42.8 | Very low | 89 Ų | 89 | 113.2 Ų | 113.2 | 42% | 0.416 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69 | -36.9 | 176.2 | -69.7 | 163.9 | 135.2 | 0 | 0 | 111.7 | F901 S902 L907 I908 I909 | F901-E905 HydrophobicContact CB-CB 4.14Å; F901-E905 HydrophobicContact CD1-CB 4.21Å; S902-E905 WeakPolarHBondContact CB-OE2 3.41Å; S902-E905 PolarHBondContact N-OE2 3.07Å; S902-E905 WeakPolarHBondContact O-CB 3.39Å; S902-E905 PolarHBondContact O-N 3.47Å; S902-E905 VanDerWaalsContact OG-CD 3.3Å; S902-E905 WeakPolarHBondContact OG-CG 3.47Å; S902-E905 PolarHBondContact OG-OE2 3.08Å; E905-L907 PolarHBondContact O-N 3.47Å; E905-I908 PolarHBondContact O-N 3.29Å; E905-I909 WeakPolarHBondContact O-CG1 3.45Å; E905-I909 PolarHBondContact O-N 3.09Å; E905-I909 VanDerWaalsContact O-N 3.07Å |
| 906 | A | 50.4 | Low | 42.9 | Very low | 46 Ų | 46 | 122.2 Ų | 122.2 | 38% | 0.38 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.7 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S902 F903 K910 | S902-A906 PolarHBondContact O-N 3.36Å; F903-A906 PolarHBondContact O-N 3.35Å; A906-K910 PolarHBondContact O-N 3.23Å |
| 907 | L | 53.5 | Low | 43.7 | Very low | 46 Ų | 46 | 119.2 Ų | 119.2 | 24% | 0.241 | 65% | 0.645 | C | S | . | * | H | α-helix | trans | -67.2 | -40.1 | 176.2 | -74.4 | 169.3 | 0 | 0 | 0 | 112.5 | F903 K904 E905 K910 G911 V912 V914 | F903-L907 HydrophobicContact CD1-CD1 3.84Å; F903-L907 HydrophobicContact CE1-CD1 3.53Å; F903-L907 HydrophobicContact CE1-CG 4.26Å; F903-L907 HydrophobicContact CZ-CD1 4.15Å; F903-L907 HydrophobicContact CZ-CG 4.47Å; F903-L907 WeakPolarHBondContact O-CG 3.34Å; F903-L907 PolarHBondContact O-N 3.12Å; F903-L907 VanDerWaalsContact O-N 3.11Å; K904-L907 PolarHBondContact O-N 3.28Å; E905-L907 PolarHBondContact O-N 3.47Å; L907-K910 PolarHBondContact O-N 3.34Å; L907-G911 PolarHBondContact O-N 3.48Å; L907-V912 HydrophobicContact CD2-CB 4.16Å; L907-V912 HydrophobicContact CD2-CG1 4.3Å; L907-V912 HydrophobicContact CD2-CG2 4.47Å; L907-V912 PolarHBondContact O-N 3.46Å; L907-V914 HydrophobicContact CB-CG2 3.78Å; L907-V914 HydrophobicContact CD1-CG2 3.99Å; L907-V914 HydrophobicContact CG-CG2 4.48Å |
| 908 | I | 58.6 | Low | 44.5 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.9 | -45 | 175.9 | -67.2 | 168.1 | 0 | 0 | 0 | 110.7 | K904 E905 K910 G911 | K904-I908 WeakPolarHBondContact O-CG1 3.39Å; K904-I908 PolarHBondContact O-N 3.24Å; E905-I908 PolarHBondContact O-N 3.29Å; I908-K910 PolarHBondContact O-N 3.1Å; I908-G911 PolarHBondContact O-N 3.45Å; I908-G911 VanDerWaalsContact O-N 3.08Å |
| 909 | I | 64 | Low | 45.4 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 61% | 0.605 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.8 | -32.4 | 178.9 | -69.2 | 167.5 | 0 | 0 | 0 | 111.6 | F901 E905 G911 | F901-I909 HydrophobicContact CD1-CD1 4.37Å; F901-I909 HydrophobicContact CE1-CD1 4.36Å; E905-I909 WeakPolarHBondContact O-CG1 3.45Å; E905-I909 PolarHBondContact O-N 3.09Å; E905-I909 VanDerWaalsContact O-N 3.07Å; I909-G911 VanDerWaalsContact C-N 3.3Å; I909-G911 PolarHBondContact O-N 3.41Å |
| 910 | K | 62.9 | Low | 46.4 | Very low | 173 Ų | 173 | 112.3 Ų | 112.3 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 3.7 | 178.5 | -73.1 | -131.8 | 177.5 | -179 | 0 | 114.5 | A906 L907 I908 V912 | A906-K910 PolarHBondContact O-N 3.23Å; L907-K910 PolarHBondContact O-N 3.34Å; I908-K910 PolarHBondContact O-N 3.1Å; K910-V912 HydrophobicContact CB-CG2 4.12Å; K910-V912 PolarHBondContact O-N 3.35Å |
| 911 | G | 41.8 | Very low | 47.4 | Very low | 65 Ų | 65 | 111.9 Ų | 111.9 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.4 | 22 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L907 I908 I909 P913 | L907-G911 PolarHBondContact O-N 3.48Å; I908-G911 PolarHBondContact O-N 3.45Å; I908-G911 VanDerWaalsContact O-N 3.08Å; I909-G911 VanDerWaalsContact C-N 3.3Å; I909-G911 PolarHBondContact O-N 3.41Å; G911-P913 WeakPolarHBondContact O-CD 3.43Å |
| 912 | V | 46.4 | Very low | 48.3 | Very low | 71 Ų | 71 | 111 Ų | 111 | 43% | 0.43 | 61% | 0.609 | S | S | . | * | trans | -82.5 | 119.1 | 176 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | L907 K910 V914 | L907-V912 HydrophobicContact CD2-CB 4.16Å; L907-V912 HydrophobicContact CD2-CG1 4.3Å; L907-V912 HydrophobicContact CD2-CG2 4.47Å; L907-V912 PolarHBondContact O-N 3.46Å; K910-V912 HydrophobicContact CB-CG2 4.12Å; K910-V912 PolarHBondContact O-N 3.35Å; V912-V914 PolarHBondContact O-N 3.33Å; V912-V914 VanDerWaalsContact O-N 3.09Å | ||
| 913 | P | 41.5 | Very low | 48.7 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -67.6 | 112.9 | 179.5 | 21.7 | -23.3 | 0 | 0 | 0 | 109.1 | G911 | G911-P913 WeakPolarHBondContact O-CD 3.43Š| ||
| 914 | V | 43.8 | Very low | 49.3 | Very low | 69 Ų | 69 | 110.4 Ų | 110.4 | 42% | 0.418 | 61% | 0.612 | S | S | . | * | trans | -86.5 | 118.4 | 173.6 | -171.6 | 0 | 0 | 0 | 0 | 107.2 | L907 V912 M916 | L907-V914 HydrophobicContact CB-CG2 3.78Å; L907-V914 HydrophobicContact CD1-CG2 3.99Å; L907-V914 HydrophobicContact CG-CG2 4.48Å; V912-V914 PolarHBondContact O-N 3.33Å; V912-V914 VanDerWaalsContact O-N 3.09Å; V914-M916 PolarHBondContact O-N 3.35Å | ||
| 915 | P | 41.8 | Very low | 49.4 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 75% | 0.753 | 61% | 0.612 | S | S | * | * | trans | -61.9 | 133.6 | 169.9 | -12.4 | 26.8 | 0 | 0 | 0 | 108.6 | ||||
| 916 | M | 35.9 | Very low | 49.1 | Very low | 263 Ų | 263 | 109.5 Ų | 109.5 | 100% | 1.296 | 63% | 0.63 | S | S | * | * | trans | -56.9 | 0 | 178.8 | -86.3 | -141.6 | -148.8 | 0 | 0 | 112.8 | V914 | V914-M916 PolarHBondContact O-N 3.35Š|
Retrieved 916 of 916 residues in 336.9 ms
(Link to these results)