| 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 | 91.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 29% | 0.286 | 30% | 0.304 | S | S | . | . | 0 | 147.9 | 0 | 175.4 | -95.7 | -147 | 0 | 0 | 109.5 | V3 S11 S12 L19 V22 | M1-V3 HydrophobicContact CE-CB 3.84Å; M1-V3 HydrophobicContact CE-CG1 3.46Å; M1-V3 VanDerWaalsContact CE-CG1 3.46Å; M1-V3 HydrophobicContact SD-CB 4.09Å; M1-V3 HydrophobicContact SD-CG1 3.73Å; M1-S11 CarbonylContact O-C 3.35Å; M1-S11 VanDerWaalsContact O-CA 3.3Å; M1-S11 WeakPolarHBondContact O-CA 3.45Å; M1-S11 PolarHBondContact O-OG 2.94Å; M1-S12 PolarHBondContact N-OG 2.96Å; M1-S12 PolarHBondContact O-N 3.33Å; M1-L19 WeakPolarHBondContact CB-O 3.33Å; M1-L19 HydrophobicContact CE-CD2 4.44Å; M1-L19 HydrophobicContact CE-CG 4.43Å; M1-L19 HydrophobicContact SD-CD2 3.75Å; M1-L19 HydrophobicContact SD-CG 4.04Å; M1-V22 HydrophobicContact CE-CB 4.44Å; M1-V22 HydrophobicContact CE-CG2 3.93Å | |||
| 2 | E | 95.8 | Very high | 96 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 131.6 | 168.7 | -173.7 | 176 | 64.4 | 0 | 0 | 108.8 | V9 F10 K13 R80 | E2-V9 HydrophobicContact CG-CG1 3.68Å; E2-F10 CarbonylContact C-O 3.54Å; E2-F10 VanDerWaalsContact CA-O 3.3Å; E2-F10 WeakPolarHBondContact CA-O 3.13Å; E2-K13 HydrophobicContact CB-CD 4.19Å; E2-R80 IonicContact OE2-NH2 2.96Å; E2-R80 PolarHBondContact OE2-NH2 2.86Å |
| 3 | V | 97.1 | Very high | 96 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 149.8 | -177.8 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | M1 F5 V9 F10 V22 | M1-V3 HydrophobicContact CE-CB 3.84Å; M1-V3 HydrophobicContact CE-CG1 3.46Å; M1-V3 VanDerWaalsContact CE-CG1 3.46Å; M1-V3 HydrophobicContact SD-CB 4.09Å; M1-V3 HydrophobicContact SD-CG1 3.73Å; V3-F5 HydrophobicContact CG1-CE2 3.93Å; V3-F5 HydrophobicContact CG2-CE2 3.87Å; V3-F5 HydrophobicContact CG2-CZ 4.1Å; V3-V9 WeakPolarHBondContact O-CA 3.32Å; V3-F10 HydrophobicContact CG1-CB 3.82Å; V3-F10 PolarHBondContact N-O 3Å; V3-F10 PolarHBondContact O-N 3.18Å; V3-V22 HydrophobicContact CG1-CB 3.85Å; V3-V22 HydrophobicContact CG1-CG2 3.82Å |
| 4 | R | 96.9 | Very high | 96.1 | Very high | 169 Ų | 169 | 60.7 Ų | 60.7 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138.5 | -171.5 | -175.8 | -179.5 | -66.6 | -135.3 | 4.5 | 112.4 | G6 I8 V9 | R4-G6 WeakPolarHBondContact CD-O 3.29Å; R4-G6 WeakPolarHBondContact CG-O 3.42Å; R4-I8 CarbonylContact C-O 3.57Å; R4-I8 WeakPolarHBondContact CA-O 3.42Å; R4-V9 HydrophobicContact CB-CG2 4.34Å; R4-V9 HydrophobicContact CG-CG2 4.07Å |
| 5 | F | 95.7 | Very high | 96.1 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 94.5 | 173.2 | -61.8 | -87.3 | 0 | 0 | 0 | 109.3 | V3 N7 I8 F10 V22 K24 F54 | V3-F5 HydrophobicContact CG1-CE2 3.93Å; V3-F5 HydrophobicContact CG2-CE2 3.87Å; V3-F5 HydrophobicContact CG2-CZ 4.1Å; F5-N7 PolarHBondContact O-N 3.25Å; F5-I8 PolarHBondContact N-O 3.44Å; F5-I8 PolarHBondContact O-N 3.31Å; F5-F10 HydrophobicContact CD2-CD2 4.34Å; F5-V22 HydrophobicContact CD2-CG1 4.37Å; F5-V22 HydrophobicContact CE2-CB 3.86Å; F5-V22 HydrophobicContact CE2-CG1 3.53Å; F5-V22 HydrophobicContact CZ-CB 4.22Å; F5-V22 HydrophobicContact CZ-CG1 4.05Å; F5-V22 WeakPolarHBondContact CZ-O 3.24Å; F5-K24 HydrophobicContact CD1-CB 4.02Å; F5-K24 HydrophobicContact CE1-CB 4.22Å; F5-F54 HydrophobicContact CB-CE1 4.03Å; F5-F54 HydrophobicContact CB-CZ 4.24Å; F5-F54 HydrophobicContact CD1-CE1 4.2Å; F5-F54 HydrophobicContact CD2-CD1 4.38Å; F5-F54 AromaticContact CD2-CE1 3.68Å; F5-F54 HydrophobicContact CD2-CE1 3.68Å; F5-F54 HydrophobicContact CD2-CZ 4.44Å; F5-F54 HydrophobicContact CE2-CD1 4.48Å; F5-F54 HydrophobicContact CE2-CE1 4.19Å; F5-F54 AromaticContact CG-CE1 3.69Å; F5-F54 HydrophobicContact CG-CE1 3.69Å; F5-F54 HydrophobicContact CG-CZ 4.38Å |
| 6 | G | 92.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -117.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R4 | R4-G6 WeakPolarHBondContact CD-O 3.29Å; R4-G6 WeakPolarHBondContact CG-O 3.42Å |
| 7 | N | 92.6 | Very high | 96.4 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 69% | 0.69 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -12.7 | 176.6 | -66 | -25.9 | 0 | 0 | 0 | 113.7 | F5 G81 | F5-N7 PolarHBondContact O-N 3.25Å; N7-G81 CarbonylContact C-O 3.57Å; N7-G81 WeakPolarHBondContact CB-O 3.32Å; N7-G81 CarbonylContact O-C 3.5Å; N7-G81 WeakPolarHBondContact O-CA 3.39Å |
| 8 | I | 96.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 5% | 0.046 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.5 | -177.1 | -54.5 | -179.1 | 0 | 0 | 0 | 109.2 | R4 F5 F10 Y52 F54 V79 R80 A82 | R4-I8 CarbonylContact C-O 3.57Å; R4-I8 WeakPolarHBondContact CA-O 3.42Å; F5-I8 PolarHBondContact N-O 3.44Å; F5-I8 PolarHBondContact O-N 3.31Å; I8-F10 HydrophobicContact CG2-CD2 4.11Å; I8-F10 HydrophobicContact CG2-CE2 3.71Å; I8-Y52 HydrophobicContact CD1-CD1 3.62Å; I8-Y52 HydrophobicContact CD1-CD2 4.05Å; I8-Y52 HydrophobicContact CD1-CE1 3.64Å; I8-Y52 HydrophobicContact CD1-CE2 4.05Å; I8-Y52 HydrophobicContact CD1-CG 3.83Å; I8-F54 HydrophobicContact CD1-CE2 4.12Å; I8-F54 HydrophobicContact CD1-CZ 4.06Å; I8-F54 HydrophobicContact CG2-CZ 4.37Å; I8-V79 HydrophobicContact CG2-CG1 3.75Å; I8-R80 CarbonylContact C-O 3.58Å; I8-R80 WeakPolarHBondContact CA-O 3.46Å; I8-A82 HydrophobicContact CD1-CB 4.06Å; I8-A82 HydrophobicContact CG1-CB 3.96Å |
| 9 | V | 97.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.3 | 177.4 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | E2 V3 R4 V79 R80 | E2-V9 HydrophobicContact CG-CG1 3.68Å; V3-V9 WeakPolarHBondContact O-CA 3.32Å; R4-V9 HydrophobicContact CB-CG2 4.34Å; R4-V9 HydrophobicContact CG-CG2 4.07Å; V9-V79 CarbonylContact O-C 3.59Å; V9-V79 WeakPolarHBondContact O-CA 3.28Å; V9-R80 HydrophobicContact CB-CG 3.82Å; V9-R80 HydrophobicContact CG1-CG 4.5Å; V9-R80 PolarHBondContact N-O 3.12Å; V9-R80 PolarHBondContact O-N 3.37Å |
| 10 | F | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.2 | 167.9 | -72.9 | -107.4 | 0 | 0 | 0 | 109.2 | E2 V3 F5 I8 L19 V22 F54 V56 F77 S78 V79 I90 | E2-F10 CarbonylContact C-O 3.54Å; E2-F10 VanDerWaalsContact CA-O 3.3Å; E2-F10 WeakPolarHBondContact CA-O 3.13Å; V3-F10 HydrophobicContact CG1-CB 3.82Å; V3-F10 PolarHBondContact N-O 3Å; V3-F10 PolarHBondContact O-N 3.18Å; F5-F10 HydrophobicContact CD2-CD2 4.34Å; I8-F10 HydrophobicContact CG2-CD2 4.11Å; I8-F10 HydrophobicContact CG2-CE2 3.71Å; F10-L19 HydrophobicContact CB-CD2 3.9Å; F10-L19 HydrophobicContact CD1-CD2 4.33Å; F10-V22 HydrophobicContact CB-CG2 3.97Å; F10-V22 HydrophobicContact CD1-CG1 4.28Å; F10-V22 HydrophobicContact CD1-CG2 3.94Å; F10-V22 HydrophobicContact CD2-CG1 3.94Å; F10-V22 HydrophobicContact CD2-CG2 4.48Å; F10-V22 HydrophobicContact CE1-CG1 4.27Å; F10-V22 HydrophobicContact CE2-CG1 3.93Å; F10-V22 HydrophobicContact CG-CG1 4.13Å; F10-V22 HydrophobicContact CG-CG2 3.9Å; F10-V22 HydrophobicContact CZ-CG1 4.11Å; F10-F54 AromaticContact CE2-CD1 3.98Å; F10-F54 HydrophobicContact CE2-CD1 3.98Å; F10-F54 AromaticContact CE2-CD2 3.99Å; F10-F54 HydrophobicContact CE2-CD2 3.99Å; F10-F54 AromaticContact CE2-CE1 3.98Å; F10-F54 HydrophobicContact CE2-CE1 3.98Å; F10-F54 AromaticContact CE2-CE2 3.94Å; F10-F54 HydrophobicContact CE2-CE2 3.94Å; F10-F54 AromaticContact CE2-CG 3.99Å; F10-F54 HydrophobicContact CE2-CG 3.99Å; F10-F54 AromaticContact CE2-CZ 3.96Å; F10-F54 HydrophobicContact CE2-CZ 3.96Å; F10-F54 HydrophobicContact CZ-CB 4.08Å; F10-F54 HydrophobicContact CZ-CD1 4.15Å; F10-F54 AromaticContact CZ-CD2 3.67Å; F10-F54 HydrophobicContact CZ-CD2 3.67Å; F10-F54 HydrophobicContact CZ-CE2 4.04Å; F10-F54 AromaticContact CZ-CG 3.71Å; F10-F54 HydrophobicContact CZ-CG 3.71Å; F10-F54 HydrophobicContact CZ-CZ 4.48Å; F10-V56 HydrophobicContact CE1-CG1 4.28Å; F10-F77 AromaticContact CD1-CD2 3.94Å; F10-F77 HydrophobicContact CD1-CD2 3.94Å; F10-F77 HydrophobicContact CD1-CE2 4.01Å; F10-F77 HydrophobicContact CE1-CD2 4.36Å; F10-F77 AromaticContact CE1-CE2 3.96Å; F10-F77 HydrophobicContact CE1-CE2 3.96Å; F10-S78 CarbonylContact C-O 3.55Å; F10-S78 VanDerWaalsContact CA-O 3.27Å; F10-S78 WeakPolarHBondContact CA-O 3.39Å; F10-V79 HydrophobicContact CD1-CG2 3.64Å; F10-V79 HydrophobicContact CE1-CG2 3.44Å; F10-V79 VanDerWaalsContact CE1-CG2 3.44Å; F10-V79 HydrophobicContact CE2-CG1 4.34Å; F10-V79 HydrophobicContact CG-CG2 4.3Å; F10-V79 HydrophobicContact CZ-CG1 4.27Å; F10-V79 HydrophobicContact CZ-CG2 3.96Å; F10-I90 HydrophobicContact CE1-CD1 3.85Å; F10-I90 HydrophobicContact CZ-CD1 4Å |
| 11 | S | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.4 | 175.9 | -174 | 0 | 0 | 0 | 0 | 112.2 | M1 K13 F14 F77 S78 | M1-S11 CarbonylContact O-C 3.35Å; M1-S11 VanDerWaalsContact O-CA 3.3Å; M1-S11 WeakPolarHBondContact O-CA 3.45Å; M1-S11 PolarHBondContact O-OG 2.94Å; S11-K13 PolarHBondContact OG-N 2.85Å; S11-F14 WeakPolarHBondContact O-CE1 3.35Å; S11-F77 CarbonylContact O-C 3.55Å; S11-F77 WeakPolarHBondContact O-CA 3.36Å; S11-F77 WeakPolarHBondContact O-CB 3.38Å; S11-S78 PolarHBondContact N-O 2.9Å; S11-S78 PolarHBondContact O-N 3.09Å; S11-S78 PolarHBondContact O-OG 2.89Å |
| 12 | S | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | trans | -130.2 | 19.1 | 166.9 | 59.4 | 0 | 0 | 0 | 0 | 111 | M1 F14 L19 | M1-S12 PolarHBondContact N-OG 2.96Å; M1-S12 PolarHBondContact O-N 3.33Å; S12-F14 PolarHBondContact O-N 2.93Å; S12-L19 WeakPolarHBondContact OG-CB 3.41Å; S12-L19 PolarHBondContact OG-O 2.8Å | ||
| 13 | K | 96.5 | Very high | 97 | Very high | 149 Ų | 149 | 47.4 Ų | 47.4 | 65% | 0.648 | 24% | 0.242 | S | C | * | . | trans | -79.6 | 65.2 | 178.4 | -69.8 | -173.1 | 178.1 | -179.7 | 0 | 110.8 | E2 S11 | E2-K13 HydrophobicContact CB-CD 4.19Å; S11-K13 PolarHBondContact OG-N 2.85Å | ||
| 14 | F | 97.2 | Very high | 97 | Very high | 58 Ų | 58 | 50 Ų | 50 | 25% | 0.254 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -158.5 | 165.5 | 175.7 | 46.7 | -101.2 | 0 | 0 | 0 | 109.2 | S11 S12 S16 G17 Y76 Y152 | S11-F14 WeakPolarHBondContact O-CE1 3.35Å; S12-F14 PolarHBondContact O-N 2.93Å; F14-S16 PolarHBondContact O-N 2.91Å; F14-G17 WeakPolarHBondContact O-CA 3.39Å; F14-G17 PolarHBondContact O-N 2.8Å; F14-Y76 HydrophobicContact CD2-CD1 4.36Å; F14-Y76 HydrophobicContact CD2-CE1 4.13Å; F14-Y76 AromaticContact CE2-CD1 3.73Å; F14-Y76 HydrophobicContact CE2-CD1 3.73Å; F14-Y76 AromaticContact CE2-CD2 3.79Å; F14-Y76 HydrophobicContact CE2-CD2 3.79Å; F14-Y76 AromaticContact CE2-CE1 3.71Å; F14-Y76 HydrophobicContact CE2-CE1 3.71Å; F14-Y76 AromaticContact CE2-CE2 3.72Å; F14-Y76 HydrophobicContact CE2-CE2 3.72Å; F14-Y76 AromaticContact CE2-CG 3.77Å; F14-Y76 HydrophobicContact CE2-CG 3.77Å; F14-Y76 AromaticContact CE2-CZ 3.7Å; F14-Y76 HydrophobicContact CZ-CD2 4.14Å; F14-Y76 HydrophobicContact CZ-CE2 4.09Å; F14-Y76 HydrophobicContact CZ-CG 4.47Å; F14-Y152 HydrophobicContact CD1-CE1 4.44Å; F14-Y152 HydrophobicContact CE1-CD1 4.32Å; F14-Y152 AromaticContact CE1-CE1 3.97Å; F14-Y152 HydrophobicContact CE1-CE1 3.97Å; F14-Y152 HydrophobicContact CZ-CD1 4.04Å; F14-Y152 HydrophobicContact CZ-CE1 4.12Å |
| 15 | D | 96.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130.4 | 179.5 | -173.7 | -10.7 | 0 | 0 | 0 | 111.6 | G17 S160 Y161 S162 V299 | D15-G17 PolarHBondContact O-N 2.83Å; D15-G17 VanDerWaalsContact O-N 3.12Å; D15-S160 VanDerWaalsContact CG-CB 3.48Å; D15-S160 WeakPolarHBondContact OD2-CB 3.49Å; D15-S160 PolarHBondContact OD2-OG 2.89Å; D15-Y161 PolarHBondContact OD2-N 2.85Å; D15-Y161 VanDerWaalsContact OD2-N 3.12Å; D15-S162 VanDerWaalsContact OD2-CB 3.29Å; D15-S162 WeakPolarHBondContact OD2-CB 3.48Å; D15-S162 PolarHBondContact OD2-N 3.26Å; D15-S162 PolarHBondContact OD2-OG 2.9Å; D15-V299 WeakPolarHBondContact OD1-CA 3.39Å |
| 16 | S | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 5.9 | -176.6 | -154.4 | 0 | 0 | 0 | 0 | 115.1 | F14 N18 W74 V298 V299 | F14-S16 PolarHBondContact O-N 2.91Å; S16-N18 PolarHBondContact O-N 3.18Å; S16-W74 PolarHBondContact O-NE1 3.02Å; S16-V298 WeakPolarHBondContact CA-O 3.49Å; S16-V298 WeakPolarHBondContact CB-O 3.39Å; S16-V298 PolarHBondContact OG-O 3.48Å; S16-V299 PolarHBondContact N-O 3.22Å |
| 17 | G | 98.3 | Very high | 95.6 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | trans | -64.7 | 130.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F14 D15 Y76 | F14-G17 WeakPolarHBondContact O-CA 3.39Å; F14-G17 PolarHBondContact O-N 2.8Å; D15-G17 PolarHBondContact O-N 2.83Å; D15-G17 VanDerWaalsContact O-N 3.12Å; G17-Y76 CarbonylContact C-O 3.5Å; G17-Y76 VanDerWaalsContact CA-O 3.3Å; G17-Y76 WeakPolarHBondContact CA-O 3.42Å | ||
| 18 | N | 98.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 114.8 | 174.4 | -172.8 | -24.6 | 0 | 0 | 0 | 111 | S16 Q59 W74 Y76 G301 | S16-N18 PolarHBondContact O-N 3.18Å; N18-Q59 PolarHBondContact ND2-O 2.86Å; N18-Q59 VanDerWaalsContact ND2-O 3.09Å; N18-Q59 WeakPolarHBondContact OD1-CB 3.32Å; N18-Q59 PolarHBondContact OD1-N 3.49Å; N18-W74 PolarHBondContact ND2-O 3.12Å; N18-Y76 PolarHBondContact N-O 3.46Å; N18-Y76 PolarHBondContact O-N 2.95Å; N18-G301 PolarHBondContact ND2-O 3.42Å |
| 19 | L | 97.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -160.6 | 128.5 | 173.4 | -173.9 | 67.5 | 0 | 0 | 0 | 108.3 | M1 F10 S12 V22 V56 F77 | M1-L19 WeakPolarHBondContact CB-O 3.33Å; M1-L19 HydrophobicContact CE-CD2 4.44Å; M1-L19 HydrophobicContact CE-CG 4.43Å; M1-L19 HydrophobicContact SD-CD2 3.75Å; M1-L19 HydrophobicContact SD-CG 4.04Å; F10-L19 HydrophobicContact CB-CD2 3.9Å; F10-L19 HydrophobicContact CD1-CD2 4.33Å; S12-L19 WeakPolarHBondContact OG-CB 3.41Å; S12-L19 PolarHBondContact OG-O 2.8Å; L19-V22 HydrophobicContact CD1-CG2 4.02Å; L19-V22 HydrophobicContact CD2-CG2 3.67Å; L19-V22 HydrophobicContact CG-CG2 4.06Å; L19-V56 HydrophobicContact CD1-CB 3.88Å; L19-V56 HydrophobicContact CD1-CG1 4.35Å; L19-F77 HydrophobicContact CB-CB 4.04Å; L19-F77 HydrophobicContact CD1-CB 4.47Å; L19-F77 HydrophobicContact CD1-CD1 4.15Å; L19-F77 HydrophobicContact CD1-CG 4.23Å; L19-F77 HydrophobicContact CD2-CB 3.89Å; L19-F77 HydrophobicContact CD2-CD2 4.5Å; L19-F77 HydrophobicContact CD2-CG 4.21Å; L19-F77 HydrophobicContact CG-CB 4.37Å | ||
| 20 | A | 96.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | trans | -102.5 | -50.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | W57 Q59 | A20-W57 HydrophobicContact CB-CB 4.28Å; A20-W57 WeakPolarHBondContact CB-O 3.45Å; A20-W57 PolarHBondContact N-O 3.18Å; A20-Q59 HydrophobicContact CB-CB 4.47Å; A20-Q59 VanDerWaalsContact CB-CD 3.41Å; A20-Q59 HydrophobicContact CB-CG 3.7Å | ||
| 21 | R | 97.2 | Very high | 85.2 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.2 | -175.4 | -179.5 | -177.7 | 178.1 | 176.4 | 0.6 | 108.9 | E23 V56 W57 | R21-E23 HydrophobicContact CG-CG 4.24Å; R21-E23 IonicContact CZ-OE1 2.76Å; R21-E23 VanDerWaalsContact NE-CD 3.33Å; R21-E23 IonicContact NE-OE1 3.08Å; R21-E23 PolarHBondContact NE-OE1 3.21Å; R21-E23 IonicContact NE-OE2 2.86Å; R21-E23 IonicContact NH2-OE1 3.93Å; R21-E23 PolarHBondContact NH2-OE1 2.9Å; R21-E23 IonicContact NH2-OE2 3.79Å; R21-V56 WeakPolarHBondContact O-CA 3.24Å; R21-W57 HydrophobicContact CB-CB 4.13Å; R21-W57 HydrophobicContact CB-CD2 4.25Å; R21-W57 HydrophobicContact CB-CE3 3.81Å; R21-W57 HydrophobicContact CB-CG 4.4Å; R21-W57 HydrophobicContact CG-CD2 4.44Å; R21-W57 HydrophobicContact CG-CE3 3.78Å; R21-W57 HydrophobicContact CG-CZ3 4.13Å; R21-W57 PolarHBondContact O-N 3.38Å |
| 22 | V | 98.3 | Very high | 82.3 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.2 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | M1 V3 F5 F10 L19 F54 N55 V56 | M1-V22 HydrophobicContact CE-CB 4.44Å; M1-V22 HydrophobicContact CE-CG2 3.93Å; V3-V22 HydrophobicContact CG1-CB 3.85Å; V3-V22 HydrophobicContact CG1-CG2 3.82Å; F5-V22 HydrophobicContact CD2-CG1 4.37Å; F5-V22 HydrophobicContact CE2-CB 3.86Å; F5-V22 HydrophobicContact CE2-CG1 3.53Å; F5-V22 HydrophobicContact CZ-CB 4.22Å; F5-V22 HydrophobicContact CZ-CG1 4.05Å; F5-V22 WeakPolarHBondContact CZ-O 3.24Å; F10-V22 HydrophobicContact CB-CG2 3.97Å; F10-V22 HydrophobicContact CD1-CG1 4.28Å; F10-V22 HydrophobicContact CD1-CG2 3.94Å; F10-V22 HydrophobicContact CD2-CG1 3.94Å; F10-V22 HydrophobicContact CD2-CG2 4.48Å; F10-V22 HydrophobicContact CE1-CG1 4.27Å; F10-V22 HydrophobicContact CE2-CG1 3.93Å; F10-V22 HydrophobicContact CG-CG1 4.13Å; F10-V22 HydrophobicContact CG-CG2 3.9Å; F10-V22 HydrophobicContact CZ-CG1 4.11Å; L19-V22 HydrophobicContact CD1-CG2 4.02Å; L19-V22 HydrophobicContact CD2-CG2 3.67Å; L19-V22 HydrophobicContact CG-CG2 4.06Å; V22-F54 HydrophobicContact CG1-CB 4.19Å; V22-F54 HydrophobicContact CG1-CD1 3.7Å; V22-F54 HydrophobicContact CG1-CE1 4.48Å; V22-F54 HydrophobicContact CG1-CG 4.24Å; V22-N55 CarbonylContact C-O 3.56Å; V22-N55 WeakPolarHBondContact CA-O 3.41Å; V22-V56 HydrophobicContact CG1-CG1 4.18Å; V22-V56 HydrophobicContact CG2-CG1 4.07Å |
| 23 | E | 98 | Very high | 79.4 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.9 | 174.1 | -63.4 | -166.5 | 140.5 | 0 | 0 | 109.8 | R21 F54 N55 W57 | R21-E23 HydrophobicContact CG-CG 4.24Å; R21-E23 IonicContact CZ-OE1 2.76Å; R21-E23 VanDerWaalsContact NE-CD 3.33Å; R21-E23 IonicContact NE-OE1 3.08Å; R21-E23 PolarHBondContact NE-OE1 3.21Å; R21-E23 IonicContact NE-OE2 2.86Å; R21-E23 IonicContact NH2-OE1 3.93Å; R21-E23 PolarHBondContact NH2-OE1 2.9Å; R21-E23 IonicContact NH2-OE2 3.79Å; E23-F54 CarbonylContact O-C 3.58Å; E23-F54 WeakPolarHBondContact O-CA 3.34Å; E23-F54 WeakPolarHBondContact O-CD1 3.25Å; E23-N55 HydrophobicContact CB-CB 4.43Å; E23-N55 PolarHBondContact N-O 2.78Å; E23-N55 PolarHBondContact O-N 2.76Å; E23-W57 HydrophobicContact CB-CH2 4.24Å; E23-W57 HydrophobicContact CB-CZ3 3.96Å; E23-W57 HydrophobicContact CG-CH2 3.96Å; E23-W57 HydrophobicContact CG-CZ3 3.64Å; E23-W57 WeakPolarHBondContact OE2-CH2 3.39Å |
| 24 | K | 96.8 | Very high | 76.7 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 42% | 0.422 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.3 | 172.5 | -172 | 179.6 | 163.7 | -121.9 | 0 | 108.8 | F5 E26 F54 | F5-K24 HydrophobicContact CD1-CB 4.02Å; F5-K24 HydrophobicContact CE1-CB 4.22Å; K24-E26 VanDerWaalsContact NZ-CD 3.28Å; K24-E26 IonicContact NZ-OE1 3.63Å; K24-E26 PolarHBondContact NZ-OE1 2.83Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact NZ-OE2 2.97Å; K24-E26 PolarHBondContact O-N 2.91Å; K24-F54 HydrophobicContact CB-CD1 3.98Å; K24-F54 HydrophobicContact CB-CE1 3.69Å; K24-F54 HydrophobicContact CG-CD1 4.4Å; K24-F54 HydrophobicContact CG-CE1 3.92Å; K24-F54 HydrophobicContact CG-CZ 4.34Å |
| 25 | V | 95.8 | Very high | 73.9 | Confident | 45 Ų | 45 | 80.1 Ų | 80.1 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | trans | -83.2 | 111.7 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | E53 N55 | V25-E53 HydrophobicContact CB-CB 3.98Å; V25-E53 HydrophobicContact CB-CG 3.76Å; V25-E53 HydrophobicContact CG1-CG 4.27Å; V25-E53 HydrophobicContact CG2-CB 4.46Å; V25-E53 HydrophobicContact CG2-CG 3.8Å; V25-E53 PolarHBondContact N-O 3.21Å; V25-N55 WeakPolarHBondContact CG2-OD1 3.19Å | ||
| 26 | E | 87.3 | Confident | 70.9 | Confident | 130 Ų | 130 | 82 Ų | 82 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | trans | -71 | 134.3 | 173.8 | -64.9 | -57.7 | 153.1 | 0 | 0 | 109.2 | K24 G28 | K24-E26 VanDerWaalsContact NZ-CD 3.28Å; K24-E26 IonicContact NZ-OE1 3.63Å; K24-E26 PolarHBondContact NZ-OE1 2.83Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact NZ-OE2 2.97Å; K24-E26 PolarHBondContact O-N 2.91Å; E26-G28 PolarHBondContact O-N 2.75Å | ||
| 27 | K | 73.8 | Confident | 68.2 | Low | 138 Ų | 138 | 86.8 Ų | 86.8 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | trans | -66.2 | 106.5 | 170 | -70.5 | -177.8 | 178.9 | 178.7 | 0 | 106.2 | N29 P50 | K27-N29 PolarHBondContact O-N 3.49Å; K27-P50 VanDerWaalsContact CE-O 3.27Å; K27-P50 WeakPolarHBondContact CE-O 3.28Å; K27-P50 PolarHBondContact NZ-O 3.44Å | ||
| 28 | G | 54.1 | Low | 65.1 | Low | 63 Ų | 63 | 95.5 Ų | 95.5 | 65% | 0.649 | 57% | 0.565 | S | S | * | * | trans | -53.7 | 134.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | E26 S30 | E26-G28 PolarHBondContact O-N 2.75Å; G28-S30 PolarHBondContact O-N 2.91Å | ||
| 29 | N | 38.7 | Very low | 62.3 | Low | 167 Ų | 167 | 102.5 Ų | 102.5 | 89% | 0.893 | 61% | 0.607 | S | S | * | * | trans | -59.1 | 88.1 | 156.8 | -85.5 | -7.9 | 0 | 0 | 0 | 106.2 | K27 S31 | K27-N29 PolarHBondContact O-N 3.49Å; N29-S31 PolarHBondContact O-N 3.26Å | ||
| 30 | S | 39.3 | Very low | 59.2 | Low | 107 Ų | 107 | 105.8 Ų | 105.8 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -61.5 | 109.6 | 161.1 | 52.6 | 0 | 0 | 0 | 0 | 105.6 | G28 | G28-S30 PolarHBondContact O-N 2.91Š| ||
| 31 | S | 34.7 | Very low | 56.5 | Low | 100 Ų | 100 | 110 Ų | 110 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | trans | -41.7 | 144 | 167 | -50.9 | 0 | 0 | 0 | 0 | 110 | N29 V33 | N29-S31 PolarHBondContact O-N 3.26Å; S31-V33 PolarHBondContact O-N 2.83Å; S31-V33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | P | 37.8 | Very low | 53.5 | Low | 127 Ų | 127 | 108.7 Ų | 108.7 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.3 | -178.6 | 24.8 | -32.5 | 0 | 0 | 0 | 108.7 | S34 | P32-S34 PolarHBondContact O-N 2.75Å; P32-S34 VanDerWaalsContact O-N 3.13Å |
| 33 | V | 36.9 | Very low | 50.7 | Low | 135 Ų | 135 | 114.9 Ų | 114.9 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 116.6 | 170.2 | 178.9 | 0 | 0 | 0 | 0 | 106.1 | S31 D35 | S31-V33 PolarHBondContact O-N 2.83Å; S31-V33 VanDerWaalsContact O-N 3.07Å; V33-D35 PolarHBondContact O-N 2.88Å |
| 34 | S | 39 | Very low | 48 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 127.4 | 171.2 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | P32 G36 | P32-S34 PolarHBondContact O-N 2.75Å; P32-S34 VanDerWaalsContact O-N 3.13Å; S34-G36 PolarHBondContact O-N 3.44Å |
| 35 | D | 38.1 | Very low | 45.3 | Very low | 177 Ų | 177 | 115.6 Ų | 115.6 | 95% | 0.947 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 116.8 | 173.8 | -87 | -38.9 | 0 | 0 | 0 | 111.5 | V33 | V33-D35 PolarHBondContact O-N 2.88Š|
| 36 | G | 34 | Very low | 42.9 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | -148.9 | 92.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S34 | S34-G36 PolarHBondContact O-N 3.44Š| ||
| 37 | A | 40.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 132.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 38 | Q | 33.4 | Very low | 41.5 | Very low | 195 Ų | 195 | 121.1 Ų | 121.1 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -152.8 | 133.9 | 143.3 | -105.5 | -169.6 | 9.5 | 0 | 0 | 111.9 | ||||
| 39 | V | 40.4 | Very low | 43.1 | Very low | 152 Ų | 152 | 123 Ų | 123 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 134 | -178 | 174.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 40 | G | 32.1 | Very low | 45.7 | Very low | 73 Ų | 73 | 115.7 Ų | 115.7 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -177.3 | 97 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 41 | S | 39.6 | Very low | 48.3 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -71.9 | 124.5 | 179.4 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 42 | S | 34.2 | Very low | 51.3 | Low | 101 Ų | 101 | 110.8 Ų | 110.8 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -151.9 | 139 | 157.9 | -72.3 | 0 | 0 | 0 | 0 | 107.1 | S44 | S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.77Å | ||
| 43 | P | 40.3 | Very low | 54.1 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | trans | -74.2 | 89.6 | -178.5 | 30.2 | -31.3 | 0 | 0 | 0 | 108.6 | G45 | P43-G45 PolarHBondContact O-N 2.98Š| ||
| 44 | S | 40 | Very low | 57 | Low | 107 Ų | 107 | 100.5 Ų | 100.5 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | -65.1 | 122.6 | 171.6 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | S42 L46 | S42-S44 VanDerWaalsContact C-N 3.31Å; S42-S44 PolarHBondContact O-N 2.77Å; S44-L46 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact O-N 3.15Å | ||
| 45 | G | 40.8 | Very low | 59.9 | Low | 74 Ų | 74 | 97.2 Ų | 97.2 | 76% | 0.763 | 61% | 0.61 | S | S | * | * | trans | -53.7 | 122.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P43 H47 | P43-G45 PolarHBondContact O-N 2.98Å; G45-H47 PolarHBondContact O-N 3.04Å | ||
| 46 | L | 44.9 | Very low | 62.8 | Low | 160 Ų | 160 | 88.8 Ų | 88.8 | 84% | 0.838 | 57% | 0.565 | S | S | * | * | trans | -52.4 | 98.3 | 178.3 | -79.6 | 153.3 | 0 | 0 | 0 | 109.6 | S44 L48 | S44-L46 PolarHBondContact O-N 3.34Å; S44-L46 VanDerWaalsContact O-N 3.15Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 2.92Å | ||
| 47 | H | 57.3 | Low | 65.8 | Low | 166 Ų | 166 | 87.9 Ų | 87.9 | 77% | 0.769 | 54% | 0.54 | S | S | * | . | trans | -74.2 | 87.3 | 172.5 | -161.1 | -75.2 | 0 | 0 | 0 | 107.2 | G45 T49 | G45-H47 PolarHBondContact O-N 3.04Å; H47-T49 PolarHBondContact O-N 2.92Å; H47-T49 VanDerWaalsContact O-N 3.14Å | ||
| 48 | L | 74.8 | Confident | 68.5 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -58 | 118.4 | -178.8 | -73 | 164.9 | 0 | 0 | 0 | 109.6 | L46 L87 | L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 2.92Å; L48-L87 HydrophobicContact CB-CD2 3.7Å |
| 49 | T | 87.7 | Confident | 71.5 | Confident | 103 Ų | 103 | 77.5 Ų | 77.5 | 63% | 0.632 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 124.4 | 173.5 | -53.7 | 0 | 0 | 0 | 0 | 109 | H47 | H47-T49 PolarHBondContact O-N 2.92Å; H47-T49 VanDerWaalsContact O-N 3.14Å |
| 50 | P | 93.6 | Very high | 74.2 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 8% | 0.084 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.3 | 179.5 | 26.6 | -33.6 | 0 | 0 | 0 | 111.2 | K27 E53 K89 | K27-P50 VanDerWaalsContact CE-O 3.27Å; K27-P50 WeakPolarHBondContact CE-O 3.28Å; K27-P50 PolarHBondContact NZ-O 3.44Å; P50-E53 HydrophobicContact CG-CB 4.17Å; P50-K89 HydrophobicContact CB-CB 3.79Å; P50-K89 HydrophobicContact CG-CB 4.08Å; P50-K89 HydrophobicContact CG-CD 4.18Å |
| 51 | D | 94.9 | Very high | 77.3 | Confident | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -73.3 | -38.4 | 170.6 | -66.9 | -76.6 | 0 | 0 | 0 | 110.2 | R86 L87 | D51-R86 HydrophobicContact CB-CB 3.84Å; D51-R86 HydrophobicContact CB-CG 4.21Å; D51-R86 VanDerWaalsContact OD1-CD 3.25Å; D51-R86 WeakPolarHBondContact OD1-CD 3.48Å; D51-R86 IonicContact OD1-CZ 3.73Å; D51-R86 IonicContact OD1-NE 3.91Å; D51-R86 IonicContact OD1-NH1 2.91Å; D51-R86 PolarHBondContact OD1-NH1 2.76Å; D51-R86 WeakPolarHBondContact OD2-CA 3.46Å; D51-R86 WeakPolarHBondContact OD2-CD 3.29Å; D51-L87 PolarHBondContact N-O 2.82Å; D51-L87 PolarHBondContact OD2-N 2.9Å |
| 52 | Y | 95.9 | Very high | 80.1 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.1 | 176.7 | -55.5 | -58.3 | 0 | 0 | 0 | 110.4 | I8 A82 V83 R86 L87 L88 K89 | I8-Y52 HydrophobicContact CD1-CD1 3.62Å; I8-Y52 HydrophobicContact CD1-CD2 4.05Å; I8-Y52 HydrophobicContact CD1-CE1 3.64Å; I8-Y52 HydrophobicContact CD1-CE2 4.05Å; I8-Y52 HydrophobicContact CD1-CG 3.83Å; Y52-A82 HydrophobicContact CD2-CB 4.39Å; Y52-A82 HydrophobicContact CE2-CB 3.98Å; Y52-V83 WeakPolarHBondContact OH-CB 3.4Å; Y52-V83 VanDerWaalsContact OH-CG2 3.29Å; Y52-V83 WeakPolarHBondContact OH-CG2 3.38Å; Y52-V83 PolarHBondContact OH-N 3.45Å; Y52-R86 HydrophobicContact CD2-CB 4.03Å; Y52-R86 HydrophobicContact CE2-CB 3.59Å; Y52-R86 HydrophobicContact CE2-CG 3.87Å; Y52-L87 PolarHBondContact N-O 2.94Å; Y52-L87 VanDerWaalsContact N-O 3.09Å; Y52-L88 CarbonylContact O-C 3.53Å; Y52-L88 WeakPolarHBondContact O-CA 3.34Å; Y52-K89 PolarHBondContact O-N 3.09Å |
| 53 | E | 97.9 | Very high | 83.1 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.6 | 173.3 | -175.2 | 168.4 | -171 | 0 | 0 | 110.1 | V25 P50 K89 N91 | V25-E53 HydrophobicContact CB-CB 3.98Å; V25-E53 HydrophobicContact CB-CG 3.76Å; V25-E53 HydrophobicContact CG1-CG 4.27Å; V25-E53 HydrophobicContact CG2-CB 4.46Å; V25-E53 HydrophobicContact CG2-CG 3.8Å; V25-E53 PolarHBondContact N-O 3.21Å; P50-E53 HydrophobicContact CG-CB 4.17Å; E53-K89 WeakPolarHBondContact CA-O 3.36Å; E53-K89 HydrophobicContact CB-CB 4.33Å; E53-K89 HydrophobicContact CG-CB 4.12Å; E53-K89 HydrophobicContact CG-CD 4.11Å; E53-K89 HydrophobicContact CG-CG 4.23Å; E53-K89 WeakPolarHBondContact OE1-CD 3.37Å; E53-K89 WeakPolarHBondContact OE1-CE 3.36Å; E53-K89 IonicContact OE1-NZ 3.85Å; E53-K89 PolarHBondContact OE1-NZ 2.93Å; E53-K89 IonicContact OE2-NZ 3.27Å; E53-N91 PolarHBondContact OE1-ND2 3Å |
| 54 | F | 98.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 137.3 | -179.5 | -66.4 | -89.4 | 0 | 0 | 0 | 111.7 | F5 I8 F10 V22 E23 K24 V56 L88 K89 I90 N91 | F5-F54 HydrophobicContact CB-CE1 4.03Å; F5-F54 HydrophobicContact CB-CZ 4.24Å; F5-F54 HydrophobicContact CD1-CE1 4.2Å; F5-F54 HydrophobicContact CD2-CD1 4.38Å; F5-F54 AromaticContact CD2-CE1 3.68Å; F5-F54 HydrophobicContact CD2-CE1 3.68Å; F5-F54 HydrophobicContact CD2-CZ 4.44Å; F5-F54 HydrophobicContact CE2-CD1 4.48Å; F5-F54 HydrophobicContact CE2-CE1 4.19Å; F5-F54 AromaticContact CG-CE1 3.69Å; F5-F54 HydrophobicContact CG-CE1 3.69Å; F5-F54 HydrophobicContact CG-CZ 4.38Å; I8-F54 HydrophobicContact CD1-CE2 4.12Å; I8-F54 HydrophobicContact CD1-CZ 4.06Å; I8-F54 HydrophobicContact CG2-CZ 4.37Å; F10-F54 AromaticContact CE2-CD1 3.98Å; F10-F54 HydrophobicContact CE2-CD1 3.98Å; F10-F54 AromaticContact CE2-CD2 3.99Å; F10-F54 HydrophobicContact CE2-CD2 3.99Å; F10-F54 AromaticContact CE2-CE1 3.98Å; F10-F54 HydrophobicContact CE2-CE1 3.98Å; F10-F54 AromaticContact CE2-CE2 3.94Å; F10-F54 HydrophobicContact CE2-CE2 3.94Å; F10-F54 AromaticContact CE2-CG 3.99Å; F10-F54 HydrophobicContact CE2-CG 3.99Å; F10-F54 AromaticContact CE2-CZ 3.96Å; F10-F54 HydrophobicContact CE2-CZ 3.96Å; F10-F54 HydrophobicContact CZ-CB 4.08Å; F10-F54 HydrophobicContact CZ-CD1 4.15Å; F10-F54 AromaticContact CZ-CD2 3.67Å; F10-F54 HydrophobicContact CZ-CD2 3.67Å; F10-F54 HydrophobicContact CZ-CE2 4.04Å; F10-F54 AromaticContact CZ-CG 3.71Å; F10-F54 HydrophobicContact CZ-CG 3.71Å; F10-F54 HydrophobicContact CZ-CZ 4.48Å; V22-F54 HydrophobicContact CG1-CB 4.19Å; V22-F54 HydrophobicContact CG1-CD1 3.7Å; V22-F54 HydrophobicContact CG1-CE1 4.48Å; V22-F54 HydrophobicContact CG1-CG 4.24Å; E23-F54 CarbonylContact O-C 3.58Å; E23-F54 WeakPolarHBondContact O-CA 3.34Å; E23-F54 WeakPolarHBondContact O-CD1 3.25Å; K24-F54 HydrophobicContact CB-CD1 3.98Å; K24-F54 HydrophobicContact CB-CE1 3.69Å; K24-F54 HydrophobicContact CG-CD1 4.4Å; K24-F54 HydrophobicContact CG-CE1 3.92Å; K24-F54 HydrophobicContact CG-CZ 4.34Å; F54-V56 HydrophobicContact CB-CG1 4.5Å; F54-L88 HydrophobicContact CD2-CD1 3.67Å; F54-L88 HydrophobicContact CE2-CD1 4.01Å; F54-K89 PolarHBondContact N-O 3.1Å; F54-I90 HydrophobicContact CB-CD1 4.08Å; F54-I90 WeakPolarHBondContact O-CA 3.47Å; F54-N91 PolarHBondContact O-N 2.79Å |
| 55 | N | 98.4 | Very high | 88.4 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.7 | 163.7 | -66.1 | -18.2 | 0 | 0 | 0 | 108.4 | V22 E23 V25 W57 N91 M93 | V22-N55 CarbonylContact C-O 3.56Å; V22-N55 WeakPolarHBondContact CA-O 3.41Å; E23-N55 HydrophobicContact CB-CB 4.43Å; E23-N55 PolarHBondContact N-O 2.78Å; E23-N55 PolarHBondContact O-N 2.76Å; V25-N55 WeakPolarHBondContact CG2-OD1 3.19Å; N55-W57 VanDerWaalsContact C-CZ3 3.5Å; N55-W57 HydrophobicContact CB-CH2 3.44Å; N55-W57 VanDerWaalsContact CB-CH2 3.44Å; N55-W57 HydrophobicContact CB-CZ2 4.36Å; N55-W57 HydrophobicContact CB-CZ3 3.56Å; N55-W57 VanDerWaalsContact O-CZ3 3.31Å; N55-W57 WeakPolarHBondContact O-CZ3 3.45Å; N55-N91 CarbonylContact C-O 3.53Å; N55-N91 WeakPolarHBondContact CA-O 3.3Å; N55-N91 WeakPolarHBondContact OD1-CB 3.47Å; N55-N91 PolarHBondContact OD1-ND2 2.89Å; N55-M93 HydrophobicContact CB-CG 3.8Å; N55-M93 HydrophobicContact CB-SD 3.93Å |
| 56 | V | 98.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.3 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | F10 L19 R21 V22 F54 I90 N91 V92 M93 | F10-V56 HydrophobicContact CE1-CG1 4.28Å; L19-V56 HydrophobicContact CD1-CB 3.88Å; L19-V56 HydrophobicContact CD1-CG1 4.35Å; R21-V56 WeakPolarHBondContact O-CA 3.24Å; V22-V56 HydrophobicContact CG1-CG1 4.18Å; V22-V56 HydrophobicContact CG2-CG1 4.07Å; F54-V56 HydrophobicContact CB-CG1 4.5Å; V56-I90 HydrophobicContact CB-CG2 4.49Å; V56-I90 HydrophobicContact CG1-CD1 4.5Å; V56-I90 HydrophobicContact CG1-CG2 4.08Å; V56-I90 HydrophobicContact CG2-CG2 3.56Å; V56-N91 PolarHBondContact N-O 2.77Å; V56-V92 HydrophobicContact CG2-CB 4.1Å; V56-V92 HydrophobicContact CG2-CG1 4.19Å; V56-V92 HydrophobicContact CG2-CG2 3.76Å; V56-V92 CarbonylContact O-C 3.56Å; V56-V92 WeakPolarHBondContact O-CA 3.3Å; V56-M93 WeakPolarHBondContact O-CG 3.33Å; V56-M93 PolarHBondContact O-N 3.03Å |
| 57 | W | 97.8 | Very high | 93.5 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.2 | 177.4 | -68 | -106.8 | 0 | 0 | 0 | 110 | A20 R21 E23 N55 M93 N94 | A20-W57 HydrophobicContact CB-CB 4.28Å; A20-W57 WeakPolarHBondContact CB-O 3.45Å; A20-W57 PolarHBondContact N-O 3.18Å; R21-W57 HydrophobicContact CB-CB 4.13Å; R21-W57 HydrophobicContact CB-CD2 4.25Å; R21-W57 HydrophobicContact CB-CE3 3.81Å; R21-W57 HydrophobicContact CB-CG 4.4Å; R21-W57 HydrophobicContact CG-CD2 4.44Å; R21-W57 HydrophobicContact CG-CE3 3.78Å; R21-W57 HydrophobicContact CG-CZ3 4.13Å; R21-W57 PolarHBondContact O-N 3.38Å; E23-W57 HydrophobicContact CB-CH2 4.24Å; E23-W57 HydrophobicContact CB-CZ3 3.96Å; E23-W57 HydrophobicContact CG-CH2 3.96Å; E23-W57 HydrophobicContact CG-CZ3 3.64Å; E23-W57 WeakPolarHBondContact OE2-CH2 3.39Å; N55-W57 VanDerWaalsContact C-CZ3 3.5Å; N55-W57 HydrophobicContact CB-CH2 3.44Å; N55-W57 VanDerWaalsContact CB-CH2 3.44Å; N55-W57 HydrophobicContact CB-CZ2 4.36Å; N55-W57 HydrophobicContact CB-CZ3 3.56Å; N55-W57 VanDerWaalsContact O-CZ3 3.31Å; N55-W57 WeakPolarHBondContact O-CZ3 3.45Å; W57-M93 HydrophobicContact CD2-CB 4.07Å; W57-M93 HydrophobicContact CD2-CG 4.11Å; W57-M93 HydrophobicContact CE3-CG 4.43Å; W57-M93 HydrophobicContact CG-CB 4.29Å; W57-M93 HydrophobicContact CH2-CG 4.01Å; W57-M93 HydrophobicContact CZ2-CB 3.95Å; W57-M93 HydrophobicContact CZ2-CG 3.66Å; W57-M93 HydrophobicContact CZ3-CG 4.37Å; W57-N94 WeakPolarHBondContact CA-OD1 3.37Å |
| 58 | T | 96.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 149.1 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 110.7 | R72 W74 F75 V92 N94 | T58-R72 PolarHBondContact OG1-O 3.12Å; T58-W74 WeakPolarHBondContact CG2-O 3.42Å; T58-F75 HydrophobicContact CG2-CB 3.65Å; T58-V92 HydrophobicContact CG2-CG1 4.01Å; T58-N94 PolarHBondContact N-OD1 2.9Å; T58-N94 PolarHBondContact O-ND2 2.76Å; T58-N94 PolarHBondContact OG1-OD1 3.03Å; T58-N94 VanDerWaalsContact OG1-OD1 3.07Å |
| 59 | Q | 96.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 138.3 | 168.7 | -70.1 | -65.4 | 3.2 | 0 | 0 | 109.1 | N18 A20 A63 | N18-Q59 PolarHBondContact ND2-O 2.86Å; N18-Q59 VanDerWaalsContact ND2-O 3.09Å; N18-Q59 WeakPolarHBondContact OD1-CB 3.32Å; N18-Q59 PolarHBondContact OD1-N 3.49Å; A20-Q59 HydrophobicContact CB-CB 4.47Å; A20-Q59 VanDerWaalsContact CB-CD 3.41Å; A20-Q59 HydrophobicContact CB-CG 3.7Å; Q59-A63 HydrophobicContact CB-CB 3.93Å; Q59-A63 HydrophobicContact CG-CB 4.24Å |
| 60 | P | 97.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 157.6 | 161.1 | 27.2 | -30.5 | 0 | 0 | 0 | 111.2 | C62 A63 E68 N69 N71 R72 | P60-C62 PolarHBondContact O-N 3.31Å; P60-A63 HydrophobicContact CG-CB 3.68Å; P60-A63 WeakPolarHBondContact O-CB 3.38Å; P60-A63 PolarHBondContact O-N 3.46Å; P60-E68 HydrophobicContact CB-CG 3.99Å; P60-E68 VanDerWaalsContact CG-CD 3.43Å; P60-E68 HydrophobicContact CG-CG 3.59Å; P60-E68 WeakPolarHBondContact CG-OE1 3.24Å; P60-N69 WeakPolarHBondContact CB-O 3.49Å; P60-N71 CarbonylContact C-O 3.5Å; P60-N71 VanDerWaalsContact CA-O 3.28Å; P60-N71 WeakPolarHBondContact CA-O 3.48Å; P60-R72 HydrophobicContact CB-CG 3.85Å; P60-R72 VanDerWaalsContact CG-CZ 3.49Å; P60-R72 VanDerWaalsContact CG-NH2 3.29Å |
| 61 | D | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 136.1 | 163.2 | -67.9 | 12.6 | 0 | 0 | 0 | 109.6 | A63 N69 N71 H302 Y303 R304 T305 | D61-A63 PolarHBondContact O-N 2.57Å; D61-N69 PolarHBondContact O-N 3.42Å; D61-N69 VanDerWaalsContact O-N 3.15Å; D61-N71 HydrophobicContact CB-CB 4.27Å; D61-N71 PolarHBondContact N-O 3.44Å; D61-H302 HydrophobicContact CB-CB 4.25Å; D61-H302 VanDerWaalsContact OD1-CA 3.28Å; D61-H302 WeakPolarHBondContact OD1-CA 3.3Å; D61-H302 WeakPolarHBondContact OD1-CB 3.49Å; D61-H302 IonicContact OD1-CG 2.84Å; D61-Y303 PolarHBondContact OD1-N 2.91Å; D61-R304 PolarHBondContact OD2-N 2.67Å; D61-T305 WeakPolarHBondContact CB-OG1 3.4Å; D61-T305 PolarHBondContact OD2-N 3.17Å; D61-T305 PolarHBondContact OD2-OG1 3.19Å |
| 62 | C | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 26.1 | -179.1 | -57 | 0 | 0 | 0 | 0 | 115 | P60 G64 T65 Y67 E68 H302 D306 G309 | P60-C62 PolarHBondContact O-N 3.31Å; C62-G64 PolarHBondContact O-N 3.2Å; C62-T65 WeakPolarHBondContact CB-OG1 3.27Å; C62-T65 WeakPolarHBondContact O-CB 3.27Å; C62-T65 PolarHBondContact O-N 3.23Å; C62-T65 VanDerWaalsContact O-N 3.14Å; C62-T65 PolarHBondContact O-OG1 3.14Å; C62-Y67 WeakPolarHBondContact CB-O 3.19Å; C62-E68 WeakPolarHBondContact O-CA 3.19Å; C62-H302 PolarHBondContact N-CE1 3.31Å; C62-H302 VanDerWaalsContact N-CE1 3.35Å; C62-H302 PolarHBondContact N-NE2 3.13Å; C62-H302 PolarHBondContact SG-CE1 3.21Å; C62-D306 PolarHBondContact SG-O 3.33Å; C62-G309 PolarHBondContact SG-N 2.77Å |
| 63 | A | 96.9 | Very high | 96.5 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 133.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q59 P60 D61 T65 E68 | Q59-A63 HydrophobicContact CB-CB 3.93Å; Q59-A63 HydrophobicContact CG-CB 4.24Å; P60-A63 HydrophobicContact CG-CB 3.68Å; P60-A63 WeakPolarHBondContact O-CB 3.38Å; P60-A63 PolarHBondContact O-N 3.46Å; D61-A63 PolarHBondContact O-N 2.57Å; A63-T65 VanDerWaalsContact C-N 3.27Å; A63-T65 PolarHBondContact O-N 3.07Å; A63-E68 WeakPolarHBondContact CA-OE2 3.3Å |
| 64 | G | 95.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 79% | 0.794 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 14.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | C62 E68 | C62-G64 PolarHBondContact O-N 3.2Å; G64-E68 PolarHBondContact N-OE2 2.95Å |
| 65 | T | 96.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 36% | 0.356 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -120.3 | 169.1 | 173.2 | 76 | 0 | 0 | 0 | 0 | 110.6 | C62 A63 Y67 E68 | C62-T65 WeakPolarHBondContact CB-OG1 3.27Å; C62-T65 WeakPolarHBondContact O-CB 3.27Å; C62-T65 PolarHBondContact O-N 3.23Å; C62-T65 VanDerWaalsContact O-N 3.14Å; C62-T65 PolarHBondContact O-OG1 3.14Å; A63-T65 VanDerWaalsContact C-N 3.27Å; A63-T65 PolarHBondContact O-N 3.07Å; T65-Y67 PolarHBondContact O-N 2.93Å; T65-Y67 VanDerWaalsContact O-N 3.16Å; T65-Y67 PolarHBondContact OG1-N 3.34Å; T65-E68 PolarHBondContact O-N 3.23Å |
| 66 | E | 96.6 | Very high | 96.5 | Very high | 154 Ų | 154 | 38.8 Ų | 38.8 | 72% | 0.72 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.6 | 173.4 | 66.4 | -176.3 | 155.6 | 0 | 0 | 113.7 | ||
| 67 | Y | 97 | Very high | 96.6 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.4 | -178.9 | -53.1 | -69.1 | 0 | 0 | 0 | 113.7 | C62 T65 N69 R308 | C62-Y67 WeakPolarHBondContact CB-O 3.19Å; T65-Y67 PolarHBondContact O-N 2.93Å; T65-Y67 VanDerWaalsContact O-N 3.16Å; T65-Y67 PolarHBondContact OG1-N 3.34Å; Y67-N69 PolarHBondContact O-N 3.1Å; Y67-R308 VanDerWaalsContact CB-C 3.44Å; Y67-R308 WeakPolarHBondContact CB-O 3.49Å; Y67-R308 HydrophobicContact CD1-CB 4.17Å; Y67-R308 VanDerWaalsContact CD1-O 3.27Å; Y67-R308 WeakPolarHBondContact CD1-O 3.35Å; Y67-R308 HydrophobicContact CD2-CB 4.32Å; Y67-R308 HydrophobicContact CD2-CG 4.3Å; Y67-R308 HydrophobicContact CE1-CB 4.31Å; Y67-R308 HydrophobicContact CE2-CB 4.49Å; Y67-R308 HydrophobicContact CE2-CG 4.11Å; Y67-R308 HydrophobicContact CG-CB 4.19Å |
| 68 | E | 97.2 | Very high | 96.6 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 43% | 0.425 | 21% | 0.212 | S | C | . | . | trans | -51.9 | 132.4 | 179.1 | -177.1 | 173.2 | 137.4 | 0 | 0 | 111.1 | P60 C62 A63 G64 T65 R72 | P60-E68 HydrophobicContact CB-CG 3.99Å; P60-E68 VanDerWaalsContact CG-CD 3.43Å; P60-E68 HydrophobicContact CG-CG 3.59Å; P60-E68 WeakPolarHBondContact CG-OE1 3.24Å; C62-E68 WeakPolarHBondContact O-CA 3.19Å; A63-E68 WeakPolarHBondContact CA-OE2 3.3Å; G64-E68 PolarHBondContact N-OE2 2.95Å; T65-E68 PolarHBondContact O-N 3.23Å; E68-R72 IonicContact OE1-NH2 2.72Å; E68-R72 PolarHBondContact OE1-NH2 3.46Å | ||
| 69 | N | 94.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | trans | -136.6 | 176.6 | -179.8 | 68.7 | 65.2 | 0 | 0 | 0 | 113.2 | P60 D61 Y67 N71 T305 G309 | P60-N69 WeakPolarHBondContact CB-O 3.49Å; D61-N69 PolarHBondContact O-N 3.42Å; D61-N69 VanDerWaalsContact O-N 3.15Å; Y67-N69 PolarHBondContact O-N 3.1Å; N69-N71 VanDerWaalsContact C-N 3.27Å; N69-N71 PolarHBondContact O-N 3.4Å; N69-N71 WeakPolarHBondContact OD1-CB 3.39Å; N69-N71 PolarHBondContact OD1-N 3.01Å; N69-N71 VanDerWaalsContact OD1-N 3.13Å; N69-N71 PolarHBondContact OD1-ND2 3.28Å; N69-T305 PolarHBondContact ND2-OG1 3.02Å; N69-T305 VanDerWaalsContact ND2-OG1 3.08Å; N69-G309 WeakPolarHBondContact ND2-CA 3.41Å | ||
| 70 | G | 92.8 | Very high | 96.6 | Very high | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -74.9 | -3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | R72 N96 | G70-R72 PolarHBondContact O-N 2.89Å; G70-N96 PolarHBondContact O-ND2 3.35Å; G70-N96 PolarHBondContact O-OD1 3.08Å |
| 71 | N | 95 | Very high | 96.4 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | trans | -74.7 | 116.8 | -175.6 | -66.8 | -67.1 | 0 | 0 | 0 | 110.9 | P60 D61 N69 N96 Y303 R304 R495 | P60-N71 CarbonylContact C-O 3.5Å; P60-N71 VanDerWaalsContact CA-O 3.28Å; P60-N71 WeakPolarHBondContact CA-O 3.48Å; D61-N71 HydrophobicContact CB-CB 4.27Å; D61-N71 PolarHBondContact N-O 3.44Å; N69-N71 VanDerWaalsContact C-N 3.27Å; N69-N71 PolarHBondContact O-N 3.4Å; N69-N71 WeakPolarHBondContact OD1-CB 3.39Å; N69-N71 PolarHBondContact OD1-N 3.01Å; N69-N71 VanDerWaalsContact OD1-N 3.13Å; N69-N71 PolarHBondContact OD1-ND2 3.28Å; N71-N96 WeakPolarHBondContact CA-OD1 3.39Å; N71-Y303 HydrophobicContact CB-CD1 4.49Å; N71-R304 HydrophobicContact CB-CB 4.06Å; N71-R495 PolarHBondContact OD1-NH1 3.31Å | ||
| 72 | R | 93.3 | Very high | 96.1 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | trans | -143.9 | 35.6 | -170 | -68.7 | 176.6 | -169.7 | -115.6 | 1.8 | 113.2 | T58 P60 E68 G70 M95 N96 | T58-R72 PolarHBondContact OG1-O 3.12Å; P60-R72 HydrophobicContact CB-CG 3.85Å; P60-R72 VanDerWaalsContact CG-CZ 3.49Å; P60-R72 VanDerWaalsContact CG-NH2 3.29Å; E68-R72 IonicContact OE1-NH2 2.72Å; E68-R72 PolarHBondContact OE1-NH2 3.46Å; G70-R72 PolarHBondContact O-N 2.89Å; R72-M95 VanDerWaalsContact O-CA 3.31Å; R72-M95 WeakPolarHBondContact O-CA 3.27Å; R72-N96 PolarHBondContact N-OD1 2.86Å; R72-N96 PolarHBondContact O-N 2.9Å | ||
| 73 | S | 94.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | trans | -95.9 | -18.4 | -177.2 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | M95 N96 Q98 F155 | S73-M95 WeakPolarHBondContact O-CE 3.16Å; S73-N96 PolarHBondContact OG-OD1 2.93Å; S73-Q98 PolarHBondContact OG-NE2 3.31Å; S73-F155 WeakPolarHBondContact O-CD2 3.47Å | ||
| 74 | W | 97.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | trans | -86.2 | 133.6 | -179.1 | -178.3 | -104.7 | 0 | 0 | 0 | 111 | S16 N18 T58 Y76 F155 P158 T257 Y303 | S16-W74 PolarHBondContact O-NE1 3.02Å; N18-W74 PolarHBondContact ND2-O 3.12Å; T58-W74 WeakPolarHBondContact CG2-O 3.42Å; W74-Y76 HydrophobicContact CZ2-CD1 4.17Å; W74-Y76 HydrophobicContact CZ2-CG 4.38Å; W74-F155 HydrophobicContact CE3-CB 3.96Å; W74-F155 HydrophobicContact CE3-CD1 4.1Å; W74-F155 HydrophobicContact CE3-CG 4.45Å; W74-F155 HydrophobicContact CZ3-CB 4.2Å; W74-F155 HydrophobicContact CZ3-CD1 4.32Å; W74-P158 HydrophobicContact CH2-CB 4.14Å; W74-P158 HydrophobicContact CZ2-CB 4.41Å; W74-T257 HydrophobicContact CH2-CG2 4.05Å; W74-T257 HydrophobicContact CZ3-CG2 4.09Å; W74-Y303 HydrophobicContact CB-CD2 4.35Å | ||
| 75 | F | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | trans | -137.3 | 140.3 | 165.5 | 63.4 | -97.1 | 0 | 0 | 0 | 109.2 | T58 F77 M95 P108 L137 S154 F155 | T58-F75 HydrophobicContact CG2-CB 3.65Å; F75-F77 HydrophobicContact CD2-CD1 4.27Å; F75-F77 AromaticContact CD2-CE1 3.9Å; F75-F77 HydrophobicContact CD2-CE1 3.9Å; F75-M95 HydrophobicContact CD1-CE 4.01Å; F75-M95 HydrophobicContact CD1-SD 3.88Å; F75-M95 HydrophobicContact CE1-CE 3.85Å; F75-M95 HydrophobicContact CE1-SD 3.78Å; F75-P108 HydrophobicContact CE2-CB 4.17Å; F75-P108 HydrophobicContact CZ-CB 3.84Å; F75-P108 HydrophobicContact CZ-CG 3.92Å; F75-L137 HydrophobicContact CE1-CD2 4.04Å; F75-L137 HydrophobicContact CZ-CD2 4.28Å; F75-S154 WeakPolarHBondContact CE2-O 3.48Å; F75-S154 WeakPolarHBondContact O-CA 3.44Å; F75-F155 HydrophobicContact CD1-CB 4Å; F75-F155 HydrophobicContact CD1-CD2 4.41Å; F75-F155 HydrophobicContact CE1-CB 3.94Å; F75-F155 AromaticContact CE1-CD2 3.96Å; F75-F155 HydrophobicContact CE1-CD2 3.96Å; F75-F155 HydrophobicContact CE1-CG 4.47Å; F75-F155 HydrophobicContact CG-CB 4.36Å; F75-F155 HydrophobicContact CZ-CB 4.24Å; F75-F155 PolarHBondContact O-N 2.85Å | ||
| 76 | Y | 98.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 111.7 | 172.2 | -175.6 | -165.6 | 0 | 0 | 0 | 108.5 | F14 G17 N18 W74 W119 Y152 F153 P158 | F14-Y76 HydrophobicContact CD2-CD1 4.36Å; F14-Y76 HydrophobicContact CD2-CE1 4.13Å; F14-Y76 AromaticContact CE2-CD1 3.73Å; F14-Y76 HydrophobicContact CE2-CD1 3.73Å; F14-Y76 AromaticContact CE2-CD2 3.79Å; F14-Y76 HydrophobicContact CE2-CD2 3.79Å; F14-Y76 AromaticContact CE2-CE1 3.71Å; F14-Y76 HydrophobicContact CE2-CE1 3.71Å; F14-Y76 AromaticContact CE2-CE2 3.72Å; F14-Y76 HydrophobicContact CE2-CE2 3.72Å; F14-Y76 AromaticContact CE2-CG 3.77Å; F14-Y76 HydrophobicContact CE2-CG 3.77Å; F14-Y76 AromaticContact CE2-CZ 3.7Å; F14-Y76 HydrophobicContact CZ-CD2 4.14Å; F14-Y76 HydrophobicContact CZ-CE2 4.09Å; F14-Y76 HydrophobicContact CZ-CG 4.47Å; G17-Y76 CarbonylContact C-O 3.5Å; G17-Y76 VanDerWaalsContact CA-O 3.3Å; G17-Y76 WeakPolarHBondContact CA-O 3.42Å; N18-Y76 PolarHBondContact N-O 3.46Å; N18-Y76 PolarHBondContact O-N 2.95Å; W74-Y76 HydrophobicContact CZ2-CD1 4.17Å; W74-Y76 HydrophobicContact CZ2-CG 4.38Å; Y76-W119 HydrophobicContact CD2-CH2 4.33Å; Y76-W119 AromaticContact CE2-CH2 3.61Å; Y76-W119 HydrophobicContact CE2-CH2 3.61Å; Y76-W119 AromaticContact CE2-CZ2 3.94Å; Y76-W119 HydrophobicContact CE2-CZ2 3.94Å; Y76-W119 AromaticContact CZ-CZ2 3.97Å; Y76-Y152 AromaticContact CE2-CD1 3.86Å; Y76-Y152 HydrophobicContact CE2-CD1 3.86Å; Y76-Y152 HydrophobicContact CE2-CG 4.43Å; Y76-F153 WeakPolarHBondContact CA-O 3.48Å; Y76-F153 WeakPolarHBondContact CD2-O 3.44Å; Y76-P158 HydrophobicContact CD1-CB 4.19Å; Y76-P158 HydrophobicContact CE1-CB 3.92Å; Y76-P158 HydrophobicContact CE1-CG 4.24Å |
| 77 | F | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163.8 | -177 | 64.5 | -90.1 | 0 | 0 | 0 | 111.5 | F10 S11 L19 F75 V79 I90 Y152 F153 | F10-F77 AromaticContact CD1-CD2 3.94Å; F10-F77 HydrophobicContact CD1-CD2 3.94Å; F10-F77 HydrophobicContact CD1-CE2 4.01Å; F10-F77 HydrophobicContact CE1-CD2 4.36Å; F10-F77 AromaticContact CE1-CE2 3.96Å; F10-F77 HydrophobicContact CE1-CE2 3.96Å; S11-F77 CarbonylContact O-C 3.55Å; S11-F77 WeakPolarHBondContact O-CA 3.36Å; S11-F77 WeakPolarHBondContact O-CB 3.38Å; L19-F77 HydrophobicContact CB-CB 4.04Å; L19-F77 HydrophobicContact CD1-CB 4.47Å; L19-F77 HydrophobicContact CD1-CD1 4.15Å; L19-F77 HydrophobicContact CD1-CG 4.23Å; L19-F77 HydrophobicContact CD2-CB 3.89Å; L19-F77 HydrophobicContact CD2-CD2 4.5Å; L19-F77 HydrophobicContact CD2-CG 4.21Å; L19-F77 HydrophobicContact CG-CB 4.37Å; F75-F77 HydrophobicContact CD2-CD1 4.27Å; F75-F77 AromaticContact CD2-CE1 3.9Å; F75-F77 HydrophobicContact CD2-CE1 3.9Å; F77-V79 HydrophobicContact CD2-CG2 4.08Å; F77-V79 HydrophobicContact CE2-CG2 3.88Å; F77-I90 HydrophobicContact CZ-CG2 4.15Å; F77-Y152 CarbonylContact O-C 3.54Å; F77-Y152 WeakPolarHBondContact O-CA 3.34Å; F77-F153 HydrophobicContact CD2-CD2 4.36Å; F77-F153 HydrophobicContact CE1-CB 4.17Å; F77-F153 HydrophobicContact CE2-CB 4.13Å; F77-F153 AromaticContact CE2-CD2 3.72Å; F77-F153 HydrophobicContact CE2-CD2 3.72Å; F77-F153 HydrophobicContact CE2-CG 4.27Å; F77-F153 HydrophobicContact CZ-CB 3.87Å; F77-F153 HydrophobicContact CZ-CD2 4.17Å; F77-F153 HydrophobicContact CZ-CG 4.28Å; F77-F153 PolarHBondContact N-O 3.4Å; F77-F153 PolarHBondContact O-N 2.75Å |
| 78 | S | 98.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.7 | 176.6 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | F10 S11 T151 | F10-S78 CarbonylContact C-O 3.55Å; F10-S78 VanDerWaalsContact CA-O 3.27Å; F10-S78 WeakPolarHBondContact CA-O 3.39Å; S11-S78 PolarHBondContact N-O 2.9Å; S11-S78 PolarHBondContact O-N 3.09Å; S11-S78 PolarHBondContact O-OG 2.89Å; S78-T151 CarbonylContact C-O 3.54Å; S78-T151 VanDerWaalsContact CA-O 3.27Å; S78-T151 WeakPolarHBondContact CA-O 3.26Å |
| 79 | V | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | 171.9 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | I8 V9 F10 F77 L88 T151 F153 | I8-V79 HydrophobicContact CG2-CG1 3.75Å; V9-V79 CarbonylContact O-C 3.59Å; V9-V79 WeakPolarHBondContact O-CA 3.28Å; F10-V79 HydrophobicContact CD1-CG2 3.64Å; F10-V79 HydrophobicContact CE1-CG2 3.44Å; F10-V79 VanDerWaalsContact CE1-CG2 3.44Å; F10-V79 HydrophobicContact CE2-CG1 4.34Å; F10-V79 HydrophobicContact CG-CG2 4.3Å; F10-V79 HydrophobicContact CZ-CG1 4.27Å; F10-V79 HydrophobicContact CZ-CG2 3.96Å; F77-V79 HydrophobicContact CD2-CG2 4.08Å; F77-V79 HydrophobicContact CE2-CG2 3.88Å; V79-L88 HydrophobicContact CG1-CD2 4.3Å; V79-L88 HydrophobicContact CG2-CD2 4.35Å; V79-T151 PolarHBondContact N-O 3.26Å; V79-T151 PolarHBondContact O-N 3.12Å; V79-F153 HydrophobicContact CB-CE2 4.31Å; V79-F153 HydrophobicContact CG2-CD2 4.06Å; V79-F153 HydrophobicContact CG2-CE2 3.81Å |
| 80 | R | 95.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 29.7 Ų | 29.7 | 41% | 0.408 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.6 | 175.6 | 65.9 | 177.4 | 174.3 | 175.1 | -5.1 | 111.4 | E2 I8 V9 A82 T150 | E2-R80 IonicContact OE2-NH2 2.96Å; E2-R80 PolarHBondContact OE2-NH2 2.86Å; I8-R80 CarbonylContact C-O 3.58Å; I8-R80 WeakPolarHBondContact CA-O 3.46Å; V9-R80 HydrophobicContact CB-CG 3.82Å; V9-R80 HydrophobicContact CG1-CG 4.5Å; V9-R80 PolarHBondContact N-O 3.12Å; V9-R80 PolarHBondContact O-N 3.37Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.92Å; R80-T150 HydrophobicContact CB-CG2 4.27Å |
| 81 | G | 93.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 39% | 0.392 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 76.6 | 5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | N7 | N7-G81 CarbonylContact C-O 3.57Å; N7-G81 WeakPolarHBondContact CB-O 3.32Å; N7-G81 CarbonylContact O-C 3.5Å; N7-G81 WeakPolarHBondContact O-CA 3.39Å |
| 82 | A | 91.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 17% | 0.174 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 150.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I8 Y52 R80 L143 | I8-A82 HydrophobicContact CD1-CB 4.06Å; I8-A82 HydrophobicContact CG1-CB 3.96Å; Y52-A82 HydrophobicContact CD2-CB 4.39Å; Y52-A82 HydrophobicContact CE2-CB 3.98Å; R80-A82 VanDerWaalsContact C-N 3.26Å; R80-A82 PolarHBondContact O-N 2.92Å; A82-L143 HydrophobicContact CB-CD1 3.29Å |
| 83 | V | 92.5 | Very high | 96.3 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 43% | 0.43 | 14% | 0.136 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 132.1 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | Y52 R86 | Y52-V83 WeakPolarHBondContact OH-CB 3.4Å; Y52-V83 VanDerWaalsContact OH-CG2 3.29Å; Y52-V83 WeakPolarHBondContact OH-CG2 3.38Å; Y52-V83 PolarHBondContact OH-N 3.45Å; V83-R86 HydrophobicContact CB-CG 3.8Å; V83-R86 HydrophobicContact CG1-CG 3.98Å; V83-R86 WeakPolarHBondContact O-CB 3.38Å; V83-R86 VanDerWaalsContact O-CG 3.24Å; V83-R86 WeakPolarHBondContact O-CG 3.28Å |
| 84 | P | 92.8 | Very high | 96.3 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 20% | 0.195 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 149.9 | -179.4 | -25.2 | 33.7 | 0 | 0 | 0 | 113.6 | R86 L144 D145 R147 | P84-R86 PolarHBondContact O-N 3.24Å; P84-R86 VanDerWaalsContact O-N 3.09Å; P84-L144 WeakPolarHBondContact CA-O 3.44Å; P84-L144 WeakPolarHBondContact CB-O 3.5Å; P84-D145 VanDerWaalsContact CB-OD1 3.28Å; P84-D145 WeakPolarHBondContact CB-OD1 3.45Å; P84-R147 HydrophobicContact CG-CB 4.39Å; P84-R147 HydrophobicContact CG-CG 3.53Å |
| 85 | G | 92.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | -8.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | R142 L143 L144 | G85-R142 WeakPolarHBondContact O-CG 3.39Å; G85-R142 PolarHBondContact O-NH1 2.91Å; G85-L143 VanDerWaalsContact CA-O 3.28Å; G85-L143 WeakPolarHBondContact CA-O 3.38Å; G85-L143 PolarHBondContact N-O 3.39Å; G85-L144 PolarHBondContact N-O 2.69Å |
| 86 | R | 94.3 | Very high | 95.9 | Very high | 112 Ų | 112 | 28.3 Ų | 28.3 | 42% | 0.423 | 15% | 0.153 | S | C | . | . | trans | -73.5 | 149.4 | -178.8 | -65.2 | -67.7 | 173.1 | 176.8 | -1.4 | 112.9 | D51 Y52 V83 P84 L143 | D51-R86 HydrophobicContact CB-CB 3.84Å; D51-R86 HydrophobicContact CB-CG 4.21Å; D51-R86 VanDerWaalsContact OD1-CD 3.25Å; D51-R86 WeakPolarHBondContact OD1-CD 3.48Å; D51-R86 IonicContact OD1-CZ 3.73Å; D51-R86 IonicContact OD1-NE 3.91Å; D51-R86 IonicContact OD1-NH1 2.91Å; D51-R86 PolarHBondContact OD1-NH1 2.76Å; D51-R86 WeakPolarHBondContact OD2-CA 3.46Å; D51-R86 WeakPolarHBondContact OD2-CD 3.29Å; Y52-R86 HydrophobicContact CD2-CB 4.03Å; Y52-R86 HydrophobicContact CE2-CB 3.59Å; Y52-R86 HydrophobicContact CE2-CG 3.87Å; V83-R86 HydrophobicContact CB-CG 3.8Å; V83-R86 HydrophobicContact CG1-CG 3.98Å; V83-R86 WeakPolarHBondContact O-CB 3.38Å; V83-R86 VanDerWaalsContact O-CG 3.24Å; V83-R86 WeakPolarHBondContact O-CG 3.28Å; P84-R86 PolarHBondContact O-N 3.24Å; P84-R86 VanDerWaalsContact O-N 3.09Å; R86-L143 PolarHBondContact O-N 2.79Å | ||
| 87 | L | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 33 Ų | 33 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 113.9 | 176.7 | -170.9 | 63.7 | 0 | 0 | 0 | 110.4 | L48 D51 Y52 R142 | L48-L87 HydrophobicContact CB-CD2 3.7Å; D51-L87 PolarHBondContact N-O 2.82Å; D51-L87 PolarHBondContact OD2-N 2.9Å; Y52-L87 PolarHBondContact N-O 2.94Å; Y52-L87 VanDerWaalsContact N-O 3.09Å; L87-R142 HydrophobicContact CD1-CB 4.38Å |
| 88 | L | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.7 | 175.4 | 175 | 64.4 | 0 | 0 | 0 | 109.8 | Y52 F54 V79 I90 T140 H141 L143 F153 | Y52-L88 CarbonylContact O-C 3.53Å; Y52-L88 WeakPolarHBondContact O-CA 3.34Å; F54-L88 HydrophobicContact CD2-CD1 3.67Å; F54-L88 HydrophobicContact CE2-CD1 4.01Å; V79-L88 HydrophobicContact CG1-CD2 4.3Å; V79-L88 HydrophobicContact CG2-CD2 4.35Å; L88-I90 HydrophobicContact CD1-CD1 3.9Å; L88-I90 HydrophobicContact CD2-CD1 4.11Å; L88-I90 HydrophobicContact CD2-CG1 4.3Å; L88-I90 HydrophobicContact CG-CD1 3.99Å; L88-I90 HydrophobicContact CG-CG1 4.17Å; L88-T140 CarbonylContact O-C 3.57Å; L88-T140 VanDerWaalsContact O-CA 3.31Å; L88-T140 WeakPolarHBondContact O-CA 3.33Å; L88-H141 PolarHBondContact N-O 3.19Å; L88-H141 PolarHBondContact O-N 3.42Å; L88-L143 HydrophobicContact CB-CD1 4.42Å; L88-L143 HydrophobicContact CB-CG 4.36Å; L88-L143 HydrophobicContact CD2-CD2 4.34Å; L88-F153 HydrophobicContact CD2-CE2 4.1Å; L88-F153 HydrophobicContact CD2-CZ 4.1Å |
| 89 | K | 98.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.8 | 168.6 | -175.5 | 177 | 172.1 | -150.2 | 0 | 109.9 | P50 Y52 E53 F54 N91 F139 T140 | P50-K89 HydrophobicContact CB-CB 3.79Å; P50-K89 HydrophobicContact CG-CB 4.08Å; P50-K89 HydrophobicContact CG-CD 4.18Å; Y52-K89 PolarHBondContact O-N 3.09Å; E53-K89 WeakPolarHBondContact CA-O 3.36Å; E53-K89 HydrophobicContact CB-CB 4.33Å; E53-K89 HydrophobicContact CG-CB 4.12Å; E53-K89 HydrophobicContact CG-CD 4.11Å; E53-K89 HydrophobicContact CG-CG 4.23Å; E53-K89 WeakPolarHBondContact OE1-CD 3.37Å; E53-K89 WeakPolarHBondContact OE1-CE 3.36Å; E53-K89 IonicContact OE1-NZ 3.85Å; E53-K89 PolarHBondContact OE1-NZ 2.93Å; E53-K89 IonicContact OE2-NZ 3.27Å; F54-K89 PolarHBondContact N-O 3.1Å; K89-N91 VanDerWaalsContact CE-OD1 3.31Å; K89-N91 WeakPolarHBondContact CE-OD1 3.37Å; K89-F139 WeakPolarHBondContact CA-O 3.41Å; K89-T140 HydrophobicContact CB-CG2 4.03Å; K89-T140 HydrophobicContact CD-CG2 4.47Å; K89-T140 HydrophobicContact CG-CG2 4.04Å |
| 90 | I | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.6 | 175.5 | -60.7 | -60 | 0 | 0 | 0 | 108.7 | F10 F54 V56 F77 L88 V92 S138 F139 | F10-I90 HydrophobicContact CE1-CD1 3.85Å; F10-I90 HydrophobicContact CZ-CD1 4Å; F54-I90 HydrophobicContact CB-CD1 4.08Å; F54-I90 WeakPolarHBondContact O-CA 3.47Å; V56-I90 HydrophobicContact CB-CG2 4.49Å; V56-I90 HydrophobicContact CG1-CD1 4.5Å; V56-I90 HydrophobicContact CG1-CG2 4.08Å; V56-I90 HydrophobicContact CG2-CG2 3.56Å; F77-I90 HydrophobicContact CZ-CG2 4.15Å; L88-I90 HydrophobicContact CD1-CD1 3.9Å; L88-I90 HydrophobicContact CD2-CD1 4.11Å; L88-I90 HydrophobicContact CD2-CG1 4.3Å; L88-I90 HydrophobicContact CG-CD1 3.99Å; L88-I90 HydrophobicContact CG-CG1 4.17Å; I90-V92 HydrophobicContact CG2-CG2 4.15Å; I90-S138 CarbonylContact O-C 3.53Å; I90-S138 VanDerWaalsContact O-CA 3.26Å; I90-S138 WeakPolarHBondContact O-CA 3.46Å; I90-F139 HydrophobicContact CB-CD1 4.48Å; I90-F139 HydrophobicContact CB-CD2 4.42Å; I90-F139 HydrophobicContact CB-CE1 3.99Å; I90-F139 HydrophobicContact CB-CE2 3.9Å; I90-F139 HydrophobicContact CB-CZ 3.68Å; I90-F139 HydrophobicContact CG1-CE2 4.07Å; I90-F139 HydrophobicContact CG1-CZ 4.13Å; I90-F139 HydrophobicContact CG2-CE1 3.88Å; I90-F139 HydrophobicContact CG2-CE2 4.47Å; I90-F139 HydrophobicContact CG2-CZ 3.75Å; I90-F139 PolarHBondContact N-O 3.15Å; I90-F139 PolarHBondContact O-N 2.72Å |
| 91 | N | 98.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 108.7 | 170.8 | -50.3 | -52.9 | 0 | 0 | 0 | 108.5 | E53 F54 N55 V56 K89 M93 I136 L137 S138 | E53-N91 PolarHBondContact OE1-ND2 3Å; F54-N91 PolarHBondContact O-N 2.79Å; N55-N91 CarbonylContact C-O 3.53Å; N55-N91 WeakPolarHBondContact CA-O 3.3Å; N55-N91 WeakPolarHBondContact OD1-CB 3.47Å; N55-N91 PolarHBondContact OD1-ND2 2.89Å; V56-N91 PolarHBondContact N-O 2.77Å; K89-N91 VanDerWaalsContact CE-OD1 3.31Å; K89-N91 WeakPolarHBondContact CE-OD1 3.37Å; N91-M93 HydrophobicContact CB-SD 3.54Å; N91-M93 VanDerWaalsContact CB-SD 3.54Å; N91-M93 WeakPolarHBondContact O-CG 3.47Å; N91-I136 HydrophobicContact CB-CG2 4.38Å; N91-L137 CarbonylContact C-O 3.54Å; N91-S138 VanDerWaalsContact OD1-CB 3.22Å; N91-S138 WeakPolarHBondContact OD1-CB 3.48Å; N91-S138 PolarHBondContact OD1-OG 3.06Å |
| 92 | V | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 111.5 | 175.2 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | V56 T58 I90 M95 I136 L137 F139 | V56-V92 HydrophobicContact CG2-CB 4.1Å; V56-V92 HydrophobicContact CG2-CG1 4.19Å; V56-V92 HydrophobicContact CG2-CG2 3.76Å; V56-V92 CarbonylContact O-C 3.56Å; V56-V92 WeakPolarHBondContact O-CA 3.3Å; T58-V92 HydrophobicContact CG2-CG1 4.01Å; I90-V92 HydrophobicContact CG2-CG2 4.15Å; V92-M95 HydrophobicContact CB-CG 4.36Å; V92-M95 HydrophobicContact CB-SD 4.07Å; V92-M95 HydrophobicContact CG1-CG 3.6Å; V92-M95 HydrophobicContact CG1-SD 3.79Å; V92-I136 VanDerWaalsContact O-CA 3.29Å; V92-I136 WeakPolarHBondContact O-CA 3.21Å; V92-L137 HydrophobicContact CB-CB 4.34Å; V92-L137 PolarHBondContact N-O 2.79Å; V92-L137 PolarHBondContact O-N 2.78Å; V92-F139 HydrophobicContact CG2-CE1 3.92Å |
| 93 | M | 97.4 | Very high | 95.1 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 17% | 0.167 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -19.2 | -157.3 | -57.8 | -54.9 | -70.3 | 0 | 0 | 115.5 | N55 V56 W57 N91 I136 | N55-M93 HydrophobicContact CB-CG 3.8Å; N55-M93 HydrophobicContact CB-SD 3.93Å; V56-M93 WeakPolarHBondContact O-CG 3.33Å; V56-M93 PolarHBondContact O-N 3.03Å; W57-M93 HydrophobicContact CD2-CB 4.07Å; W57-M93 HydrophobicContact CD2-CG 4.11Å; W57-M93 HydrophobicContact CE3-CG 4.43Å; W57-M93 HydrophobicContact CG-CB 4.29Å; W57-M93 HydrophobicContact CH2-CG 4.01Å; W57-M93 HydrophobicContact CZ2-CB 3.95Å; W57-M93 HydrophobicContact CZ2-CG 3.66Å; W57-M93 HydrophobicContact CZ3-CG 4.37Å; N91-M93 HydrophobicContact CB-SD 3.54Å; N91-M93 VanDerWaalsContact CB-SD 3.54Å; N91-M93 WeakPolarHBondContact O-CG 3.47Å; M93-I136 HydrophobicContact CE-CD1 3.7Å; M93-I136 HydrophobicContact CE-CG1 4.25Å; M93-I136 HydrophobicContact CE-CG2 4.45Å; M93-I136 HydrophobicContact SD-CD1 4.49Å; M93-I136 HydrophobicContact SD-CG2 3.92Å |
| 94 | N | 95.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 27.6 | -164.8 | 72.6 | -26.7 | 0 | 0 | 0 | 114.1 | W57 T58 | W57-N94 WeakPolarHBondContact CA-OD1 3.37Å; T58-N94 PolarHBondContact N-OD1 2.9Å; T58-N94 PolarHBondContact O-ND2 2.76Å; T58-N94 PolarHBondContact OG1-OD1 3.03Å; T58-N94 VanDerWaalsContact OG1-OD1 3.07Å |
| 95 | M | 93.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 149.9 | 177.3 | -74.8 | 177.9 | 76.2 | 0 | 0 | 110.7 | R72 S73 F75 V92 Q98 Y102 F135 L137 F155 | R72-M95 VanDerWaalsContact O-CA 3.31Å; R72-M95 WeakPolarHBondContact O-CA 3.27Å; S73-M95 WeakPolarHBondContact O-CE 3.16Å; F75-M95 HydrophobicContact CD1-CE 4.01Å; F75-M95 HydrophobicContact CD1-SD 3.88Å; F75-M95 HydrophobicContact CE1-CE 3.85Å; F75-M95 HydrophobicContact CE1-SD 3.78Å; V92-M95 HydrophobicContact CB-CG 4.36Å; V92-M95 HydrophobicContact CB-SD 4.07Å; V92-M95 HydrophobicContact CG1-CG 3.6Å; V92-M95 HydrophobicContact CG1-SD 3.79Å; M95-Q98 HydrophobicContact CE-CG 4.5Å; M95-Y102 HydrophobicContact CE-CE2 4.4Å; M95-F135 HydrophobicContact CB-CD1 3.96Å; M95-F135 PolarHBondContact N-O 2.93Å; M95-F135 WeakPolarHBondContact O-CB 3.31Å; M95-L137 HydrophobicContact SD-CB 4.11Å; M95-L137 HydrophobicContact SD-CD2 3.81Å; M95-F155 HydrophobicContact CE-CD2 3.69Å; M95-F155 HydrophobicContact CE-CE2 3.81Å |
| 96 | N | 93.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | trans | -60.9 | 158.7 | 165.4 | -57.4 | 133.9 | 0 | 0 | 0 | 110 | G70 N71 R72 S73 Q98 | G70-N96 PolarHBondContact O-ND2 3.35Å; G70-N96 PolarHBondContact O-OD1 3.08Å; N71-N96 WeakPolarHBondContact CA-OD1 3.39Å; R72-N96 PolarHBondContact N-OD1 2.86Å; R72-N96 PolarHBondContact O-N 2.9Å; S73-N96 PolarHBondContact OG-OD1 2.93Å; N96-Q98 WeakPolarHBondContact O-CG 3.35Å; N96-Q98 PolarHBondContact O-N 2.98Å | ||
| 97 | N | 92.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 33 Ų | 33 | 60% | 0.604 | 17% | 0.171 | S | C | * | . | trans | -62.2 | 106.1 | -176.2 | -174.4 | -12.9 | 0 | 0 | 0 | 112 | R99 | N97-R99 WeakPolarHBondContact OD1-CB 3.34Å; N97-R99 PolarHBondContact OD1-N 3.02Å | ||
| 98 | Q | 94.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 8% | 0.075 | 17% | 0.168 | C | C | . | . | trans | -112.4 | 21.1 | 175.9 | -63.3 | -62.8 | -9.9 | 0 | 0 | 111.8 | S73 M95 N96 K100 L101 Y102 F135 | S73-Q98 PolarHBondContact OG-NE2 3.31Å; M95-Q98 HydrophobicContact CE-CG 4.5Å; N96-Q98 WeakPolarHBondContact O-CG 3.35Å; N96-Q98 PolarHBondContact O-N 2.98Å; Q98-K100 PolarHBondContact O-N 2.87Å; Q98-K100 VanDerWaalsContact O-N 3.1Å; Q98-L101 HydrophobicContact CB-CB 4.44Å; Q98-L101 WeakPolarHBondContact O-CB 3.45Å; Q98-L101 PolarHBondContact O-N 2.74Å; Q98-Y102 HydrophobicContact CB-CD2 3.78Å; Q98-Y102 HydrophobicContact CB-CE2 3.73Å; Q98-Y102 WeakPolarHBondContact O-CD2 3.23Å; Q98-Y102 PolarHBondContact O-N 3.14Å; Q98-Y102 VanDerWaalsContact O-N 3.13Å; Q98-F135 HydrophobicContact CB-CE1 4.12Å; Q98-F135 HydrophobicContact CB-CZ 4.24Å | ||
| 99 | R | 93.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 32.4 Ų | 32.4 | 41% | 0.411 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -51.2 | -41.4 | -175.2 | -178.2 | 179.5 | -70.4 | -86.6 | 0.6 | 112.6 | N97 L101 S103 T130 F135 | N97-R99 WeakPolarHBondContact OD1-CB 3.34Å; N97-R99 PolarHBondContact OD1-N 3.02Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 2.82Å; R99-S103 VanDerWaalsContact O-CB 3.25Å; R99-S103 WeakPolarHBondContact O-CB 3.3Å; R99-S103 PolarHBondContact O-N 3.48Å; R99-S103 PolarHBondContact O-OG 2.93Å; R99-T130 PolarHBondContact NH2-OG1 3.42Å; R99-F135 HydrophobicContact CB-CD2 4.4Å; R99-F135 HydrophobicContact CB-CE2 3.82Å |
| 100 | K | 93.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 30.2 Ų | 30.2 | 50% | 0.504 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.9 | -34.5 | 179.4 | -173.3 | 166.2 | -178.9 | 176.5 | 0 | 113 | Q98 S103 Q104 S443 | Q98-K100 PolarHBondContact O-N 2.87Å; Q98-K100 VanDerWaalsContact O-N 3.1Å; K100-S103 PolarHBondContact O-OG 2.78Å; K100-Q104 WeakPolarHBondContact O-CG 3.2Å; K100-Q104 PolarHBondContact O-NE2 3.13Å; K100-S443 VanDerWaalsContact CE-O 3.28Å; K100-S443 WeakPolarHBondContact CE-O 3.33Å |
| 101 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.8 | -47.8 | 178.1 | 176.5 | 59.1 | 0 | 0 | 0 | 110.8 | Q98 R99 Q104 M106 F155 A442 Y524 N525 | Q98-L101 HydrophobicContact CB-CB 4.44Å; Q98-L101 WeakPolarHBondContact O-CB 3.45Å; Q98-L101 PolarHBondContact O-N 2.74Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 2.82Å; L101-Q104 WeakPolarHBondContact O-CB 3.39Å; L101-Q104 PolarHBondContact O-N 2.83Å; L101-M106 HydrophobicContact CD1-CB 3.83Å; L101-M106 HydrophobicContact CD1-CG 4.07Å; L101-M106 HydrophobicContact CD1-SD 4.5Å; L101-M106 HydrophobicContact CD2-CB 4.46Å; L101-M106 HydrophobicContact CD2-CG 4.04Å; L101-M106 HydrophobicContact CG-CB 3.65Å; L101-M106 HydrophobicContact CG-CG 3.78Å; L101-M106 WeakPolarHBondContact O-CB 3.46Å; L101-M106 PolarHBondContact O-N 3.37Å; L101-F155 HydrophobicContact CD2-CE2 4.14Å; L101-F155 HydrophobicContact CD2-CZ 3.64Å; L101-A442 WeakPolarHBondContact CB-O 3.35Å; L101-A442 WeakPolarHBondContact CD1-O 3.41Å; L101-A442 HydrophobicContact CD2-CB 4.16Å; L101-Y524 HydrophobicContact CD2-CD2 4.44Å; L101-N525 HydrophobicContact CD1-CB 4.03Å |
| 102 | Y | 95.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 4% | 0.043 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.4 | -31 | -179.9 | -72.2 | -80.8 | 0 | 0 | 0 | 113.2 | M95 Q98 Q104 G105 M106 V128 F135 L137 F155 | M95-Y102 HydrophobicContact CE-CE2 4.4Å; Q98-Y102 HydrophobicContact CB-CD2 3.78Å; Q98-Y102 HydrophobicContact CB-CE2 3.73Å; Q98-Y102 WeakPolarHBondContact O-CD2 3.23Å; Q98-Y102 PolarHBondContact O-N 3.14Å; Q98-Y102 VanDerWaalsContact O-N 3.13Å; Y102-Q104 PolarHBondContact O-N 3.07Å; Y102-G105 WeakPolarHBondContact O-CA 3.41Å; Y102-G105 PolarHBondContact O-N 2.9Å; Y102-M106 HydrophobicContact CD1-CB 4.06Å; Y102-M106 HydrophobicContact CD1-CG 4.28Å; Y102-M106 VanDerWaalsContact CD1-O 3.3Å; Y102-M106 WeakPolarHBondContact CD1-O 3.36Å; Y102-M106 HydrophobicContact CE1-CB 4.29Å; Y102-M106 HydrophobicContact CE1-CG 3.98Å; Y102-M106 HydrophobicContact CG-CB 4.46Å; Y102-V128 HydrophobicContact CD2-CG1 4.39Å; Y102-V128 HydrophobicContact CG-CG1 4Å; Y102-F135 HydrophobicContact CD2-CE1 4.19Å; Y102-F135 AromaticContact CD2-CZ 3.87Å; Y102-F135 HydrophobicContact CD2-CZ 3.87Å; Y102-F135 HydrophobicContact CE2-CE1 4.32Å; Y102-F135 HydrophobicContact CE2-CZ 4.45Å; Y102-L137 HydrophobicContact CD1-CD1 3.57Å; Y102-L137 HydrophobicContact CD2-CD1 4.35Å; Y102-L137 HydrophobicContact CE1-CD1 3.45Å; Y102-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y102-L137 HydrophobicContact CE1-CD2 3.71Å; Y102-L137 HydrophobicContact CE1-CG 4.23Å; Y102-L137 HydrophobicContact CE2-CD1 4.25Å; Y102-L137 HydrophobicContact CE2-CD2 4.13Å; Y102-L137 HydrophobicContact CG-CD1 4.05Å; Y102-L137 VanDerWaalsContact CZ-CD2 3.41Å; Y102-L137 WeakPolarHBondContact OH-CD2 3.48Å; Y102-F155 HydrophobicContact CE2-CE2 4.42Å |
| 103 | S | 94 | Very high | 95.3 | Very high | 75 Ų | 75 | 34.4 Ų | 34.4 | 52% | 0.524 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -22.1 | 172.3 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | R99 K100 G105 | R99-S103 VanDerWaalsContact O-CB 3.25Å; R99-S103 WeakPolarHBondContact O-CB 3.3Å; R99-S103 PolarHBondContact O-N 3.48Å; R99-S103 PolarHBondContact O-OG 2.93Å; K100-S103 PolarHBondContact O-OG 2.78Å; S103-G105 PolarHBondContact O-N 2.82Å |
| 104 | Q | 93.9 | Very high | 95 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 7.3 | 172 | -63.6 | 165.6 | 12 | 0 | 0 | 112.5 | K100 L101 Y102 S443 R445 N525 K554 | K100-Q104 WeakPolarHBondContact O-CG 3.2Å; K100-Q104 PolarHBondContact O-NE2 3.13Å; L101-Q104 WeakPolarHBondContact O-CB 3.39Å; L101-Q104 PolarHBondContact O-N 2.83Å; Y102-Q104 PolarHBondContact O-N 3.07Å; Q104-S443 PolarHBondContact NE2-O 3.48Å; Q104-R445 HydrophobicContact CG-CG 4.3Å; Q104-N525 PolarHBondContact O-ND2 3.2Å; Q104-K554 PolarHBondContact O-NZ 3.02Å |
| 105 | G | 94 | Very high | 94.8 | Very high | 29 Ų | 29 | 40.8 Ų | 40.8 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y102 S103 N525 K554 | Y102-G105 WeakPolarHBondContact O-CA 3.41Å; Y102-G105 PolarHBondContact O-N 2.9Å; S103-G105 PolarHBondContact O-N 2.82Å; G105-N525 PolarHBondContact O-OD1 3.44Å; G105-K554 VanDerWaalsContact C-NZ 3.31Å; G105-K554 PolarHBondContact O-NZ 3.25Å |
| 106 | M | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -60.8 | 144.4 | 163.5 | -179.1 | 62.9 | -178.7 | 0 | 0 | 109.2 | L101 Y102 F109 R121 F155 C156 N525 | L101-M106 HydrophobicContact CD1-CB 3.83Å; L101-M106 HydrophobicContact CD1-CG 4.07Å; L101-M106 HydrophobicContact CD1-SD 4.5Å; L101-M106 HydrophobicContact CD2-CB 4.46Å; L101-M106 HydrophobicContact CD2-CG 4.04Å; L101-M106 HydrophobicContact CG-CB 3.65Å; L101-M106 HydrophobicContact CG-CG 3.78Å; L101-M106 WeakPolarHBondContact O-CB 3.46Å; L101-M106 PolarHBondContact O-N 3.37Å; Y102-M106 HydrophobicContact CD1-CB 4.06Å; Y102-M106 HydrophobicContact CD1-CG 4.28Å; Y102-M106 VanDerWaalsContact CD1-O 3.3Å; Y102-M106 WeakPolarHBondContact CD1-O 3.36Å; Y102-M106 HydrophobicContact CE1-CB 4.29Å; Y102-M106 HydrophobicContact CE1-CG 3.98Å; Y102-M106 HydrophobicContact CG-CB 4.46Å; M106-F109 HydrophobicContact CE-CD2 4.41Å; M106-F109 HydrophobicContact CE-CE2 3.9Å; M106-R121 PolarHBondContact SD-NH1 3.48Å; M106-F155 WeakPolarHBondContact CE-O 3.41Å; M106-C156 HydrophobicContact CE-CB 3.94Å; M106-N525 HydrophobicContact CB-CB 4.11Å; M106-N525 PolarHBondContact N-ND2 2.74Å; M106-N525 HydrophobicContact SD-CB 3.81Å | ||
| 107 | A | 97.5 | Very high | 94.6 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | trans | -136.7 | 146.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R121 P126 | A107-R121 HydrophobicContact CB-CB 4.35Å; A107-P126 HydrophobicContact CB-CG 3.93Å | ||
| 108 | P | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -55.2 | 164.6 | 168.9 | -24.1 | 36.2 | 0 | 0 | 0 | 111.6 | F75 R121 I122 L137 F139 S154 | F75-P108 HydrophobicContact CE2-CB 4.17Å; F75-P108 HydrophobicContact CZ-CB 3.84Å; F75-P108 HydrophobicContact CZ-CG 3.92Å; P108-R121 WeakPolarHBondContact O-CA 3.3Å; P108-I122 HydrophobicContact CB-CG1 4.04Å; P108-I122 WeakPolarHBondContact O-CG1 3.33Å; P108-I122 PolarHBondContact O-N 3.07Å; P108-L137 HydrophobicContact CG-CD2 4.04Å; P108-F139 HydrophobicContact CB-CE1 4.4Å; P108-F139 HydrophobicContact CB-CZ 4.48Å; P108-F139 HydrophobicContact CG-CD1 3.72Å; P108-F139 HydrophobicContact CG-CE1 3.91Å; P108-F139 HydrophobicContact CG-CG 4.07Å; P108-F139 HydrophobicContact CG-CZ 4.45Å; P108-S154 WeakPolarHBondContact CA-O 3.47Å | ||
| 109 | F | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 149.4 | 179 | -75.2 | -93.9 | 0 | 0 | 0 | 111.4 | M106 W119 E120 R121 F153 S154 C156 Y157 | M106-F109 HydrophobicContact CE-CD2 4.41Å; M106-F109 HydrophobicContact CE-CE2 3.9Å; F109-W119 HydrophobicContact CB-CE3 3.74Å; F109-W119 HydrophobicContact CB-CZ3 4.2Å; F109-W119 HydrophobicContact CD1-CB 4.38Å; F109-E120 CarbonylContact C-O 3.49Å; F109-E120 VanDerWaalsContact CA-O 3.28Å; F109-E120 WeakPolarHBondContact CA-O 3.42Å; F109-R121 HydrophobicContact CD1-CG 3.96Å; F109-R121 HydrophobicContact CE1-CB 4.4Å; F109-R121 HydrophobicContact CE1-CG 3.31Å; F109-R121 HydrophobicContact CE2-CG 4.17Å; F109-R121 HydrophobicContact CZ-CG 3.51Å; F109-R121 VanDerWaalsContact CZ-NH1 3.29Å; F109-F153 CarbonylContact O-C 3.57Å; F109-F153 VanDerWaalsContact O-CA 3.23Å; F109-F153 WeakPolarHBondContact O-CA 3.3Å; F109-S154 PolarHBondContact N-O 3.19Å; F109-S154 PolarHBondContact O-N 3.18Å; F109-C156 VanDerWaalsContact CD2-CA 3.43Å; F109-C156 HydrophobicContact CE2-CB 4.36Å; F109-Y157 AromaticContact CD1-CD1 3.97Å; F109-Y157 HydrophobicContact CD1-CD1 3.97Å; F109-Y157 AromaticContact CD1-CE1 3.74Å; F109-Y157 HydrophobicContact CD1-CE1 3.74Å; F109-Y157 HydrophobicContact CD1-CE2 4.36Å; F109-Y157 HydrophobicContact CD1-CG 4.38Å; F109-Y157 AromaticContact CD1-CZ 3.96Å; F109-Y157 AromaticContact CE1-CD1 3.83Å; F109-Y157 HydrophobicContact CE1-CD1 3.83Å; F109-Y157 AromaticContact CE1-CD2 3.8Å; F109-Y157 HydrophobicContact CE1-CD2 3.8Å; F109-Y157 AromaticContact CE1-CE1 3.35Å; F109-Y157 HydrophobicContact CE1-CE1 3.35Å; F109-Y157 AromaticContact CE1-CE2 3.32Å; F109-Y157 HydrophobicContact CE1-CE2 3.32Å; F109-Y157 HydrophobicContact CE1-CG 4.04Å; F109-Y157 AromaticContact CE1-CZ 3.08Å; F109-Y157 WeakPolarHBondContact CE1-OH 3.29Å; F109-Y157 HydrophobicContact CE2-CD2 4.24Å; F109-Y157 HydrophobicContact CE2-CE2 4.32Å; F109-Y157 HydrophobicContact CZ-CD1 4.37Å; F109-Y157 AromaticContact CZ-CD2 3.54Å; F109-Y157 HydrophobicContact CZ-CD2 3.54Å; F109-Y157 HydrophobicContact CZ-CE1 4.13Å; F109-Y157 AromaticContact CZ-CE2 3.24Å; F109-Y157 HydrophobicContact CZ-CE2 3.24Å; F109-Y157 HydrophobicContact CZ-CG 4.11Å; F109-Y157 AromaticContact CZ-CZ 3.59Å |
| 110 | V | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.4 | 179 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | E120 I122 T151 Y152 F153 | V110-E120 HydrophobicContact CG1-CG 3.57Å; V110-E120 PolarHBondContact N-O 3.43Å; V110-E120 PolarHBondContact O-N 3.27Å; V110-I122 HydrophobicContact CB-CD1 3.8Å; V110-I122 HydrophobicContact CG1-CD1 3.83Å; V110-T151 HydrophobicContact CG2-CG2 3.37Å; V110-Y152 CarbonylContact C-O 3.55Å; V110-Y152 WeakPolarHBondContact CA-O 3.37Å; V110-Y152 WeakPolarHBondContact CG2-O 3.19Å; V110-F153 HydrophobicContact CB-CD1 4.1Å; V110-F153 HydrophobicContact CB-CE1 4.12Å; V110-F153 HydrophobicContact CG2-CD1 3.98Å; V110-F153 HydrophobicContact CG2-CE1 3.66Å; V110-F153 HydrophobicContact CG2-CZ 4.22Å |
| 111 | R | 97.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.1 | 173.6 | -172.8 | 177.1 | 70.8 | 172.7 | 0.2 | 109.6 | K116 N117 W119 T151 Y152 | R111-K116 VanDerWaalsContact CG-O 3.24Å; R111-K116 WeakPolarHBondContact CG-O 3.25Å; R111-N117 WeakPolarHBondContact CD-O 3.31Å; R111-W119 HydrophobicContact CB-CD2 3.65Å; R111-W119 HydrophobicContact CB-CE3 3.58Å; R111-W119 HydrophobicContact CB-CG 4.27Å; R111-W119 HydrophobicContact CB-CH2 4.14Å; R111-W119 HydrophobicContact CB-CZ2 4.14Å; R111-W119 HydrophobicContact CB-CZ3 3.85Å; R111-W119 HydrophobicContact CG-CD2 4.45Å; R111-T151 CarbonylContact O-C 3.52Å; R111-T151 WeakPolarHBondContact O-CA 3.41Å; R111-Y152 PolarHBondContact N-O 2.92Å; R111-Y152 PolarHBondContact O-N 3.19Å |
| 112 | T | 96.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 78.2 | -179 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | V115 K116 L144 T149 T151 | T112-V115 PolarHBondContact O-N 3.22Å; T112-K116 CarbonylContact C-O 3.59Å; T112-K116 PolarHBondContact N-O 3.33Å; T112-K116 PolarHBondContact O-N 2.67Å; T112-L144 HydrophobicContact CG2-CD1 3.7Å; T112-L144 HydrophobicContact CG2-CG 4.27Å; T112-T149 HydrophobicContact CG2-CG2 4.17Å; T112-T151 WeakPolarHBondContact CG2-OG1 3.47Å; T112-T151 WeakPolarHBondContact OG1-CG2 3.44Å; T112-T151 PolarHBondContact OG1-OG1 3.31Å |
| 113 | P | 93.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 55 Ų | 55 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 154.6 | 179 | 30.7 | -34.4 | 0 | 0 | 0 | 112 | V115 N117 T150 Y152 | P113-V115 VanDerWaalsContact C-N 3.29Å; P113-N117 WeakPolarHBondContact CA-OD1 3.3Å; P113-N117 WeakPolarHBondContact CB-OD1 3.34Å; P113-T150 WeakPolarHBondContact CD-O 3.39Å; P113-Y152 HydrophobicContact CG-CD2 4.2Å; P113-Y152 HydrophobicContact CG-CE2 3.8Å |
| 114 | P | 90.8 | Very high | 95.3 | Very high | 105 Ų | 105 | 55.3 Ų | 55.3 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -81 | -2.3 | -5.9 | 34.1 | -35.7 | 0 | 0 | 0 | 113.7 | N117 | P114-N117 VanDerWaalsContact C-OD1 3.32Å; P114-N117 VanDerWaalsContact CA-OD1 3.24Å; P114-N117 WeakPolarHBondContact CA-OD1 3.47Å; P114-N117 PolarHBondContact O-ND2 2.64Å; P114-N117 PolarHBondContact O-OD1 2.82Å |
| 115 | V | 90.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 62.9 Ų | 62.9 | 46% | 0.461 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -46.8 | -171.2 | -174.7 | 0 | 0 | 0 | 0 | 112 | T112 P113 L144 V146 T149 | T112-V115 PolarHBondContact O-N 3.22Å; P113-V115 VanDerWaalsContact C-N 3.29Å; V115-L144 HydrophobicContact CB-CD1 3.94Å; V115-L144 HydrophobicContact CG1-CD1 3.8Å; V115-V146 HydrophobicContact CG2-CB 4.45Å; V115-V146 HydrophobicContact CG2-CG1 4.2Å; V115-V146 HydrophobicContact CG2-CG2 4.31Å; V115-T149 HydrophobicContact CG2-CG2 3.86Å |
| 116 | K | 92 | Very high | 95.5 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 27% | 0.27 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 93 | 176 | -74.3 | -171.8 | 171.7 | -174.7 | 0 | 109.3 | R111 T112 R118 E120 L144 | R111-K116 VanDerWaalsContact CG-O 3.24Å; R111-K116 WeakPolarHBondContact CG-O 3.25Å; T112-K116 CarbonylContact C-O 3.59Å; T112-K116 PolarHBondContact N-O 3.33Å; T112-K116 PolarHBondContact O-N 2.67Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-E120 WeakPolarHBondContact CD-OE1 3.42Å; K116-E120 IonicContact NZ-OE1 3.61Å; K116-E120 PolarHBondContact NZ-OE1 2.99Å; K116-E120 IonicContact NZ-OE2 2.78Å; K116-L144 HydrophobicContact CD-CD1 4.15Å; K116-L144 HydrophobicContact CD-CD2 4.19Å; K116-L144 HydrophobicContact CG-CD1 4.11Å |
| 117 | N | 92.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 66.5 Ų | 66.5 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -9.8 | -176.3 | -62.3 | -38.1 | 0 | 0 | 0 | 114.1 | R111 P113 P114 | R111-N117 WeakPolarHBondContact CD-O 3.31Å; P113-N117 WeakPolarHBondContact CA-OD1 3.3Å; P113-N117 WeakPolarHBondContact CB-OD1 3.34Å; P114-N117 VanDerWaalsContact C-OD1 3.32Å; P114-N117 VanDerWaalsContact CA-OD1 3.24Å; P114-N117 WeakPolarHBondContact CA-OD1 3.47Å; P114-N117 PolarHBondContact O-ND2 2.64Å; P114-N117 PolarHBondContact O-OD1 2.82Å |
| 118 | R | 94.8 | Very high | 95.4 | Very high | 222 Ų | 222 | 68.1 Ų | 68.1 | 84% | 0.838 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 138.9 | 176.3 | -64.8 | -174.3 | -179.9 | 179.9 | -0 | 110.2 | K116 E120 | K116-R118 VanDerWaalsContact C-N 3.35Å; R118-E120 PolarHBondContact O-N 3.22Å |
| 119 | W | 97.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 72.7 Ų | 72.7 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 126.9 | 169.4 | -74.3 | 104.9 | 0 | 0 | 0 | 109.8 | Y76 F109 R111 Y157 P158 | Y76-W119 HydrophobicContact CD2-CH2 4.33Å; Y76-W119 AromaticContact CE2-CH2 3.61Å; Y76-W119 HydrophobicContact CE2-CH2 3.61Å; Y76-W119 AromaticContact CE2-CZ2 3.94Å; Y76-W119 HydrophobicContact CE2-CZ2 3.94Å; Y76-W119 AromaticContact CZ-CZ2 3.97Å; F109-W119 HydrophobicContact CB-CE3 3.74Å; F109-W119 HydrophobicContact CB-CZ3 4.2Å; F109-W119 HydrophobicContact CD1-CB 4.38Å; R111-W119 HydrophobicContact CB-CD2 3.65Å; R111-W119 HydrophobicContact CB-CE3 3.58Å; R111-W119 HydrophobicContact CB-CG 4.27Å; R111-W119 HydrophobicContact CB-CH2 4.14Å; R111-W119 HydrophobicContact CB-CZ2 4.14Å; R111-W119 HydrophobicContact CB-CZ3 3.85Å; R111-W119 HydrophobicContact CG-CD2 4.45Å; W119-Y157 HydrophobicContact CB-CD1 3.69Å; W119-Y157 HydrophobicContact CB-CE1 3.79Å; W119-Y157 HydrophobicContact CG-CD1 4.35Å; W119-P158 HydrophobicContact CD2-CG 4.23Å; W119-P158 VanDerWaalsContact CE2-CD 3.49Å; W119-P158 HydrophobicContact CH2-CG 3.94Å; W119-P158 HydrophobicContact CZ2-CG 3.23Å |
| 120 | E | 96.6 | Very high | 95 | Very high | 53 Ų | 53 | 75.8 Ų | 75.8 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150.9 | 173.4 | 64.1 | -176.1 | 161.5 | 0 | 0 | 110 | F109 V110 K116 R118 R123 | F109-E120 CarbonylContact C-O 3.49Å; F109-E120 VanDerWaalsContact CA-O 3.28Å; F109-E120 WeakPolarHBondContact CA-O 3.42Å; V110-E120 HydrophobicContact CG1-CG 3.57Å; V110-E120 PolarHBondContact N-O 3.43Å; V110-E120 PolarHBondContact O-N 3.27Å; K116-E120 WeakPolarHBondContact CD-OE1 3.42Å; K116-E120 IonicContact NZ-OE1 3.61Å; K116-E120 PolarHBondContact NZ-OE1 2.99Å; K116-E120 IonicContact NZ-OE2 2.78Å; R118-E120 PolarHBondContact O-N 3.22Å; E120-R123 IonicContact OE2-NH2 3.57Å |
| 121 | R | 97.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 78.8 Ų | 78.8 | 15% | 0.151 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.3 | 171.1 | -68.5 | 179.7 | -174.6 | -84.6 | 3.5 | 109 | M106 A107 P108 F109 R123 Y524 Y555 | M106-R121 PolarHBondContact SD-NH1 3.48Å; A107-R121 HydrophobicContact CB-CB 4.35Å; P108-R121 WeakPolarHBondContact O-CA 3.3Å; F109-R121 HydrophobicContact CD1-CG 3.96Å; F109-R121 HydrophobicContact CE1-CB 4.4Å; F109-R121 HydrophobicContact CE1-CG 3.31Å; F109-R121 HydrophobicContact CE2-CG 4.17Å; F109-R121 HydrophobicContact CZ-CG 3.51Å; F109-R121 VanDerWaalsContact CZ-NH1 3.29Å; R121-R123 PolarHBondContact O-N 2.95Å; R121-Y524 PolarHBondContact NH2-O 3.08Å; R121-Y555 PolarHBondContact NH2-O 2.67Å |
| 122 | I | 97.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 83.2 Ų | 83.2 | 4% | 0.036 | 41% | 0.405 | C | S | . | . | trans | -55.1 | 127.5 | 165.3 | -63 | -65.7 | 0 | 0 | 0 | 108.3 | P108 V110 F139 T140 H141 F153 | P108-I122 HydrophobicContact CB-CG1 4.04Å; P108-I122 WeakPolarHBondContact O-CG1 3.33Å; P108-I122 PolarHBondContact O-N 3.07Å; V110-I122 HydrophobicContact CB-CD1 3.8Å; V110-I122 HydrophobicContact CG1-CD1 3.83Å; I122-F139 HydrophobicContact CD1-CD2 4.19Å; I122-F139 HydrophobicContact CD1-CE2 4.49Å; I122-F139 HydrophobicContact CG1-CD2 4.06Å; I122-F139 HydrophobicContact CG2-CB 4.36Å; I122-T140 VanDerWaalsContact CG2-O 3.25Å; I122-T140 WeakPolarHBondContact CG2-O 3.4Å; I122-H141 HydrophobicContact CD1-CB 4.03Å; I122-F153 HydrophobicContact CD1-CD1 4.11Å; I122-F153 HydrophobicContact CD1-CE1 3.91Å | ||
| 123 | R | 94.6 | Very high | 93.7 | Very high | 200 Ų | 200 | 90.4 Ų | 90.4 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -70.6 | -45 | -173.3 | -65.7 | -177.8 | -177 | -174.8 | -3.6 | 111.7 | E120 R121 | E120-R123 IonicContact OE2-NH2 3.57Å; R121-R123 PolarHBondContact O-N 2.95Å |
| 124 | D | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 93 Ų | 93 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.1 | 139.6 | 179.2 | -59.9 | -21.3 | 0 | 0 | 0 | 109.5 | P126 T140 | D124-P126 VanDerWaalsContact O-CD 3.25Å; D124-P126 WeakPolarHBondContact O-CD 3.5Å; D124-T140 PolarHBondContact OD2-OG1 2.94Å |
| 125 | R | 95.1 | Very high | 93.7 | Very high | 203 Ų | 203 | 88.2 Ų | 88.2 | 77% | 0.766 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 120.7 | 179.3 | -178.6 | 177.2 | 178.2 | 176.1 | -0.3 | 109.5 | ||
| 126 | P | 96.9 | Very high | 94 | Very high | 16 Ų | 16 | 85 Ų | 85 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -64 | 149.1 | 174.4 | -19.8 | 32.3 | 0 | 0 | 0 | 111.6 | A107 D124 L137 S138 F139 | A107-P126 HydrophobicContact CB-CG 3.93Å; D124-P126 VanDerWaalsContact O-CD 3.25Å; D124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-L137 HydrophobicContact CB-CD1 3.67Å; P126-S138 CarbonylContact C-O 3.46Å; P126-S138 VanDerWaalsContact CA-O 3.22Å; P126-S138 WeakPolarHBondContact CA-O 3.39Å; P126-S138 WeakPolarHBondContact CB-O 3.42Å; P126-F139 HydrophobicContact CB-CB 4.2Å; P126-F139 HydrophobicContact CG-CB 4.35Å |
| 127 | T | 96.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 82.1 Ų | 82.1 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151 | 172.2 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | S138 | T127-S138 PolarHBondContact N-O 2.98Å; T127-S138 PolarHBondContact O-N 3.22Å; T127-S138 WeakPolarHBondContact OG1-CB 3.25Å |
| 128 | V | 96.1 | Very high | 94.6 | Very high | 42 Ų | 42 | 77.8 Ų | 77.8 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.4 | 178.8 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | Y102 F135 I136 L137 | Y102-V128 HydrophobicContact CD2-CG1 4.39Å; Y102-V128 HydrophobicContact CG-CG1 4Å; V128-F135 HydrophobicContact CB-CE2 3.75Å; V128-F135 HydrophobicContact CB-CZ 3.81Å; V128-F135 HydrophobicContact CG1-CE1 4.38Å; V128-F135 HydrophobicContact CG1-CE2 4Å; V128-F135 HydrophobicContact CG1-CZ 3.51Å; V128-F135 HydrophobicContact CG2-CE2 4.34Å; V128-I136 VanDerWaalsContact CA-O 3.31Å; V128-I136 WeakPolarHBondContact CA-O 3.36Å; V128-L137 HydrophobicContact CG1-CD1 3.84Å |
| 129 | E | 94.8 | Very high | 94.8 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 165.9 | 177.4 | 64.1 | -175.9 | -175.5 | 0 | 0 | 110.6 | V131 I136 | E129-V131 HydrophobicContact CG-CG2 4.25Å; E129-I136 HydrophobicContact CG-CB 3.66Å; E129-I136 HydrophobicContact CG-CD1 4.15Å; E129-I136 HydrophobicContact CG-CG1 4.36Å; E129-I136 HydrophobicContact CG-CG2 4.15Å; E129-I136 PolarHBondContact N-O 3.44Å; E129-I136 PolarHBondContact O-N 3.14Å |
| 130 | T | 92.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 112.8 | 175 | -58.4 | 0 | 0 | 0 | 0 | 108.2 | R99 Q134 | R99-T130 PolarHBondContact NH2-OG1 3.42Å; T130-Q134 VanDerWaalsContact CA-O 3.25Å; T130-Q134 WeakPolarHBondContact CA-O 3.5Å |
| 131 | V | 90.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.3 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | E129 N133 Q134 I136 | E129-V131 HydrophobicContact CG-CG2 4.25Å; V131-N133 PolarHBondContact O-N 2.89Å; V131-N133 VanDerWaalsContact O-N 3.14Å; V131-Q134 PolarHBondContact N-O 3.26Å; V131-Q134 WeakPolarHBondContact O-CB 3.43Å; V131-Q134 PolarHBondContact O-N 2.84Å; V131-I136 HydrophobicContact CB-CD1 3.94Å; V131-I136 HydrophobicContact CG2-CD1 3.9Å |
| 132 | N | 88.1 | Confident | 94.7 | Very high | 150 Ų | 150 | 70.3 Ų | 70.3 | 80% | 0.802 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 42.3 | -177.8 | -59.2 | -28.3 | 0 | 0 | 0 | 113.1 | Q134 | N132-Q134 PolarHBondContact O-N 2.92Å; N132-Q134 VanDerWaalsContact O-N 3.12Å |
| 133 | N | 85.3 | Confident | 94.5 | Very high | 154 Ų | 154 | 70.7 Ų | 70.7 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 11.1 | -177.8 | -143.6 | 52.1 | 0 | 0 | 0 | 115.4 | V131 | V131-N133 PolarHBondContact O-N 2.89Å; V131-N133 VanDerWaalsContact O-N 3.14Å |
| 134 | Q | 90.4 | Very high | 94.4 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.7 | 171.7 | -63.4 | -63.3 | -37.1 | 0 | 0 | 110.1 | T130 V131 N132 | T130-Q134 VanDerWaalsContact CA-O 3.25Å; T130-Q134 WeakPolarHBondContact CA-O 3.5Å; V131-Q134 PolarHBondContact N-O 3.26Å; V131-Q134 WeakPolarHBondContact O-CB 3.43Å; V131-Q134 PolarHBondContact O-N 2.84Å; N132-Q134 PolarHBondContact O-N 2.92Å; N132-Q134 VanDerWaalsContact O-N 3.12Å |
| 135 | F | 94.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 2% | 0.022 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118 | 174.6 | 174.9 | -90 | 0 | 0 | 0 | 109.1 | M95 Q98 R99 Y102 V128 L137 | M95-F135 HydrophobicContact CB-CD1 3.96Å; M95-F135 PolarHBondContact N-O 2.93Å; M95-F135 WeakPolarHBondContact O-CB 3.31Å; Q98-F135 HydrophobicContact CB-CE1 4.12Å; Q98-F135 HydrophobicContact CB-CZ 4.24Å; R99-F135 HydrophobicContact CB-CD2 4.4Å; R99-F135 HydrophobicContact CB-CE2 3.82Å; Y102-F135 HydrophobicContact CD2-CE1 4.19Å; Y102-F135 AromaticContact CD2-CZ 3.87Å; Y102-F135 HydrophobicContact CD2-CZ 3.87Å; Y102-F135 HydrophobicContact CE2-CE1 4.32Å; Y102-F135 HydrophobicContact CE2-CZ 4.45Å; V128-F135 HydrophobicContact CB-CE2 3.75Å; V128-F135 HydrophobicContact CB-CZ 3.81Å; V128-F135 HydrophobicContact CG1-CE1 4.38Å; V128-F135 HydrophobicContact CG1-CE2 4Å; V128-F135 HydrophobicContact CG1-CZ 3.51Å; V128-F135 HydrophobicContact CG2-CE2 4.34Å; F135-L137 HydrophobicContact CE1-CB 4.25Å |
| 136 | I | 96.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.4 | -179.5 | -56.5 | 171.9 | 0 | 0 | 0 | 108.5 | N91 V92 M93 V128 E129 V131 | N91-I136 HydrophobicContact CB-CG2 4.38Å; V92-I136 VanDerWaalsContact O-CA 3.29Å; V92-I136 WeakPolarHBondContact O-CA 3.21Å; M93-I136 HydrophobicContact CE-CD1 3.7Å; M93-I136 HydrophobicContact CE-CG1 4.25Å; M93-I136 HydrophobicContact CE-CG2 4.45Å; M93-I136 HydrophobicContact SD-CD1 4.49Å; M93-I136 HydrophobicContact SD-CG2 3.92Å; V128-I136 VanDerWaalsContact CA-O 3.31Å; V128-I136 WeakPolarHBondContact CA-O 3.36Å; E129-I136 HydrophobicContact CG-CB 3.66Å; E129-I136 HydrophobicContact CG-CD1 4.15Å; E129-I136 HydrophobicContact CG-CG1 4.36Å; E129-I136 HydrophobicContact CG-CG2 4.15Å; E129-I136 PolarHBondContact N-O 3.44Å; E129-I136 PolarHBondContact O-N 3.14Å; V131-I136 HydrophobicContact CB-CD1 3.94Å; V131-I136 HydrophobicContact CG2-CD1 3.9Å |
| 137 | L | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.6 | 173.9 | 170.7 | 71.3 | 0 | 0 | 0 | 109.2 | F75 N91 V92 M95 Y102 P108 P126 V128 F135 F139 | F75-L137 HydrophobicContact CE1-CD2 4.04Å; F75-L137 HydrophobicContact CZ-CD2 4.28Å; N91-L137 CarbonylContact C-O 3.54Å; V92-L137 HydrophobicContact CB-CB 4.34Å; V92-L137 PolarHBondContact N-O 2.79Å; V92-L137 PolarHBondContact O-N 2.78Å; M95-L137 HydrophobicContact SD-CB 4.11Å; M95-L137 HydrophobicContact SD-CD2 3.81Å; Y102-L137 HydrophobicContact CD1-CD1 3.57Å; Y102-L137 HydrophobicContact CD2-CD1 4.35Å; Y102-L137 HydrophobicContact CE1-CD1 3.45Å; Y102-L137 VanDerWaalsContact CE1-CD1 3.45Å; Y102-L137 HydrophobicContact CE1-CD2 3.71Å; Y102-L137 HydrophobicContact CE1-CG 4.23Å; Y102-L137 HydrophobicContact CE2-CD1 4.25Å; Y102-L137 HydrophobicContact CE2-CD2 4.13Å; Y102-L137 HydrophobicContact CG-CD1 4.05Å; Y102-L137 VanDerWaalsContact CZ-CD2 3.41Å; Y102-L137 WeakPolarHBondContact OH-CD2 3.48Å; P108-L137 HydrophobicContact CG-CD2 4.04Å; P126-L137 HydrophobicContact CB-CD1 3.67Å; V128-L137 HydrophobicContact CG1-CD1 3.84Å; F135-L137 HydrophobicContact CE1-CB 4.25Å; L137-F139 HydrophobicContact CD2-CD1 4.49Å; L137-F139 HydrophobicContact CG-CD1 4.38Å |
| 138 | S | 98.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 6% | 0.056 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | I90 N91 P126 T127 | I90-S138 CarbonylContact O-C 3.53Å; I90-S138 VanDerWaalsContact O-CA 3.26Å; I90-S138 WeakPolarHBondContact O-CA 3.46Å; N91-S138 VanDerWaalsContact OD1-CB 3.22Å; N91-S138 WeakPolarHBondContact OD1-CB 3.48Å; N91-S138 PolarHBondContact OD1-OG 3.06Å; P126-S138 CarbonylContact C-O 3.46Å; P126-S138 VanDerWaalsContact CA-O 3.22Å; P126-S138 WeakPolarHBondContact CA-O 3.39Å; P126-S138 WeakPolarHBondContact CB-O 3.42Å; T127-S138 PolarHBondContact N-O 2.98Å; T127-S138 PolarHBondContact O-N 3.22Å; T127-S138 WeakPolarHBondContact OG1-CB 3.25Å |
| 139 | F | 98.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 153.6 | 176.9 | 60.6 | -89.1 | 0 | 0 | 0 | 112 | K89 I90 V92 P108 I122 P126 L137 F153 | K89-F139 WeakPolarHBondContact CA-O 3.41Å; I90-F139 HydrophobicContact CB-CD1 4.48Å; I90-F139 HydrophobicContact CB-CD2 4.42Å; I90-F139 HydrophobicContact CB-CE1 3.99Å; I90-F139 HydrophobicContact CB-CE2 3.9Å; I90-F139 HydrophobicContact CB-CZ 3.68Å; I90-F139 HydrophobicContact CG1-CE2 4.07Å; I90-F139 HydrophobicContact CG1-CZ 4.13Å; I90-F139 HydrophobicContact CG2-CE1 3.88Å; I90-F139 HydrophobicContact CG2-CE2 4.47Å; I90-F139 HydrophobicContact CG2-CZ 3.75Å; I90-F139 PolarHBondContact N-O 3.15Å; I90-F139 PolarHBondContact O-N 2.72Å; V92-F139 HydrophobicContact CG2-CE1 3.92Å; P108-F139 HydrophobicContact CB-CE1 4.4Å; P108-F139 HydrophobicContact CB-CZ 4.48Å; P108-F139 HydrophobicContact CG-CD1 3.72Å; P108-F139 HydrophobicContact CG-CE1 3.91Å; P108-F139 HydrophobicContact CG-CG 4.07Å; P108-F139 HydrophobicContact CG-CZ 4.45Å; I122-F139 HydrophobicContact CD1-CD2 4.19Å; I122-F139 HydrophobicContact CD1-CE2 4.49Å; I122-F139 HydrophobicContact CG1-CD2 4.06Å; I122-F139 HydrophobicContact CG2-CB 4.36Å; P126-F139 HydrophobicContact CB-CB 4.2Å; P126-F139 HydrophobicContact CG-CB 4.35Å; L137-F139 HydrophobicContact CD2-CD1 4.49Å; L137-F139 HydrophobicContact CG-CD1 4.38Å; F139-F153 AromaticContact CE2-CD1 3.66Å; F139-F153 HydrophobicContact CE2-CD1 3.66Å; F139-F153 AromaticContact CE2-CE1 3.99Å; F139-F153 HydrophobicContact CE2-CE1 3.99Å; F139-F153 HydrophobicContact CE2-CG 4.27Å; F139-F153 HydrophobicContact CZ-CD1 4.29Å |
| 140 | T | 97.8 | Very high | 92.5 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 145.3 | 179.1 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | L88 K89 I122 D124 | L88-T140 CarbonylContact O-C 3.57Å; L88-T140 VanDerWaalsContact O-CA 3.31Å; L88-T140 WeakPolarHBondContact O-CA 3.33Å; K89-T140 HydrophobicContact CB-CG2 4.03Å; K89-T140 HydrophobicContact CD-CG2 4.47Å; K89-T140 HydrophobicContact CG-CG2 4.04Å; I122-T140 VanDerWaalsContact CG2-O 3.25Å; I122-T140 WeakPolarHBondContact CG2-O 3.4Å; D124-T140 PolarHBondContact OD2-OG1 2.94Å |
| 141 | H | 96.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.8 | 173.3 | -173.8 | 65.4 | 0 | 0 | 0 | 110.3 | L88 I122 L143 F153 | L88-H141 PolarHBondContact N-O 3.19Å; L88-H141 PolarHBondContact O-N 3.42Å; I122-H141 HydrophobicContact CD1-CB 4.03Å; H141-L143 PolarHBondContact O-N 2.49Å; H141-F153 HydrophobicContact CB-CE1 3.85Å; H141-F153 HydrophobicContact CB-CZ 4.09Å; H141-F153 AromaticContact CD2-CZ 3.91Å; H141-F153 AromaticContact CG-CE1 3.95Å |
| 142 | R | 95.7 | Very high | 93.1 | Very high | 133 Ų | 133 | 60.1 Ų | 60.1 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.2 | 169 | -173.4 | 174.9 | -63.2 | -80.6 | 1.7 | 108.9 | G85 L87 | G85-R142 WeakPolarHBondContact O-CG 3.39Å; G85-R142 PolarHBondContact O-NH1 2.91Å; L87-R142 HydrophobicContact CD1-CB 4.38Å |
| 143 | L | 93.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | trans | -62.6 | 145.4 | 177.8 | -64.7 | 166.6 | 0 | 0 | 0 | 110.3 | A82 G85 R86 L88 H141 | A82-L143 HydrophobicContact CB-CD1 3.29Å; G85-L143 VanDerWaalsContact CA-O 3.28Å; G85-L143 WeakPolarHBondContact CA-O 3.38Å; G85-L143 PolarHBondContact N-O 3.39Å; R86-L143 PolarHBondContact O-N 2.79Å; L88-L143 HydrophobicContact CB-CD1 4.42Å; L88-L143 HydrophobicContact CB-CG 4.36Å; L88-L143 HydrophobicContact CD2-CD2 4.34Å; H141-L143 PolarHBondContact O-N 2.49Å | ||
| 144 | L | 90.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | trans | -60.5 | 146.6 | 178.5 | -63.1 | -173.9 | 0 | 0 | 0 | 110.6 | P84 G85 T112 V115 K116 V146 | P84-L144 WeakPolarHBondContact CA-O 3.44Å; P84-L144 WeakPolarHBondContact CB-O 3.5Å; G85-L144 PolarHBondContact N-O 2.69Å; T112-L144 HydrophobicContact CG2-CD1 3.7Å; T112-L144 HydrophobicContact CG2-CG 4.27Å; V115-L144 HydrophobicContact CB-CD1 3.94Å; V115-L144 HydrophobicContact CG1-CD1 3.8Å; K116-L144 HydrophobicContact CD-CD1 4.15Å; K116-L144 HydrophobicContact CD-CD2 4.19Å; K116-L144 HydrophobicContact CG-CD1 4.11Å; L144-V146 PolarHBondContact O-N 3.32Å | ||
| 145 | D | 88.3 | Confident | 94.6 | Very high | 136 Ų | 136 | 41.2 Ų | 41.2 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -79.4 | 50.6 | 176.7 | -160.8 | 8.5 | 0 | 0 | 0 | 111.5 | P84 | P84-D145 VanDerWaalsContact CB-OD1 3.28Å; P84-D145 WeakPolarHBondContact CB-OD1 3.45Å |
| 146 | V | 87.9 | Confident | 94.8 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | trans | -136.1 | 126 | -179.7 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | V115 L144 T149 | V115-V146 HydrophobicContact CG2-CB 4.45Å; V115-V146 HydrophobicContact CG2-CG1 4.2Å; V115-V146 HydrophobicContact CG2-CG2 4.31Å; L144-V146 PolarHBondContact O-N 3.32Å; V146-T149 HydrophobicContact CB-CG2 3.78Å; V146-T149 HydrophobicContact CG1-CG2 3.68Å; V146-T149 PolarHBondContact O-OG1 3.02Å | ||
| 147 | R | 85.3 | Confident | 94.8 | Very high | 221 Ų | 221 | 42.1 Ų | 42.1 | 83% | 0.834 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 149.4 | 178.7 | -74.1 | -167.4 | -72.9 | -154.1 | -1.7 | 111.6 | P84 T149 | P84-R147 HydrophobicContact CG-CB 4.39Å; P84-R147 HydrophobicContact CG-CG 3.53Å; R147-T149 PolarHBondContact O-N 3.36Å |
| 148 | G | 85.3 | Confident | 94.8 | Very high | 77 Ų | 77 | 42.4 Ų | 42.4 | 79% | 0.794 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 0.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 149 | T | 91.9 | Very high | 94.8 | Very high | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | trans | -73.2 | 148 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | T112 V115 V146 R147 | T112-T149 HydrophobicContact CG2-CG2 4.17Å; V115-T149 HydrophobicContact CG2-CG2 3.86Å; V146-T149 HydrophobicContact CB-CG2 3.78Å; V146-T149 HydrophobicContact CG1-CG2 3.68Å; V146-T149 PolarHBondContact O-OG1 3.02Å; R147-T149 PolarHBondContact O-N 3.36Å | ||
| 150 | T | 96.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.1 | 170.6 | -61 | 0 | 0 | 0 | 0 | 108.7 | R80 P113 Y152 | R80-T150 HydrophobicContact CB-CG2 4.27Å; P113-T150 WeakPolarHBondContact CD-O 3.39Å; T150-Y152 HydrophobicContact CG2-CD2 4.23Å; T150-Y152 HydrophobicContact CG2-CE1 4.5Å; T150-Y152 HydrophobicContact CG2-CE2 3.61Å |
| 151 | T | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.7 | 178.1 | -62.3 | 0 | 0 | 0 | 0 | 109.5 | S78 V79 V110 R111 T112 F153 | S78-T151 CarbonylContact C-O 3.54Å; S78-T151 VanDerWaalsContact CA-O 3.27Å; S78-T151 WeakPolarHBondContact CA-O 3.26Å; V79-T151 PolarHBondContact N-O 3.26Å; V79-T151 PolarHBondContact O-N 3.12Å; V110-T151 HydrophobicContact CG2-CG2 3.37Å; R111-T151 CarbonylContact O-C 3.52Å; R111-T151 WeakPolarHBondContact O-CA 3.41Å; T112-T151 WeakPolarHBondContact CG2-OG1 3.47Å; T112-T151 WeakPolarHBondContact OG1-CG2 3.44Å; T112-T151 PolarHBondContact OG1-OG1 3.31Å; T151-F153 HydrophobicContact CG2-CD2 4.42Å; T151-F153 HydrophobicContact CG2-CE1 4.2Å; T151-F153 HydrophobicContact CG2-CE2 3.69Å; T151-F153 HydrophobicContact CG2-CZ 3.56Å |
| 152 | Y | 98.5 | Very high | 95 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 21% | 0.208 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141 | 179.4 | -65.9 | -97.5 | 0 | 0 | 0 | 110.3 | F14 Y76 F77 V110 R111 P113 T150 | F14-Y152 HydrophobicContact CD1-CE1 4.44Å; F14-Y152 HydrophobicContact CE1-CD1 4.32Å; F14-Y152 AromaticContact CE1-CE1 3.97Å; F14-Y152 HydrophobicContact CE1-CE1 3.97Å; F14-Y152 HydrophobicContact CZ-CD1 4.04Å; F14-Y152 HydrophobicContact CZ-CE1 4.12Å; Y76-Y152 AromaticContact CE2-CD1 3.86Å; Y76-Y152 HydrophobicContact CE2-CD1 3.86Å; Y76-Y152 HydrophobicContact CE2-CG 4.43Å; F77-Y152 CarbonylContact O-C 3.54Å; F77-Y152 WeakPolarHBondContact O-CA 3.34Å; V110-Y152 CarbonylContact C-O 3.55Å; V110-Y152 WeakPolarHBondContact CA-O 3.37Å; V110-Y152 WeakPolarHBondContact CG2-O 3.19Å; R111-Y152 PolarHBondContact N-O 2.92Å; R111-Y152 PolarHBondContact O-N 3.19Å; P113-Y152 HydrophobicContact CG-CD2 4.2Å; P113-Y152 HydrophobicContact CG-CE2 3.8Å; T150-Y152 HydrophobicContact CG2-CD2 4.23Å; T150-Y152 HydrophobicContact CG2-CE1 4.5Å; T150-Y152 HydrophobicContact CG2-CE2 3.61Å |
| 153 | F | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.9 | 174.5 | -60.9 | -83.1 | 0 | 0 | 0 | 110.2 | Y76 F77 V79 L88 F109 V110 I122 F139 H141 T151 | Y76-F153 WeakPolarHBondContact CA-O 3.48Å; Y76-F153 WeakPolarHBondContact CD2-O 3.44Å; F77-F153 HydrophobicContact CD2-CD2 4.36Å; F77-F153 HydrophobicContact CE1-CB 4.17Å; F77-F153 HydrophobicContact CE2-CB 4.13Å; F77-F153 AromaticContact CE2-CD2 3.72Å; F77-F153 HydrophobicContact CE2-CD2 3.72Å; F77-F153 HydrophobicContact CE2-CG 4.27Å; F77-F153 HydrophobicContact CZ-CB 3.87Å; F77-F153 HydrophobicContact CZ-CD2 4.17Å; F77-F153 HydrophobicContact CZ-CG 4.28Å; F77-F153 PolarHBondContact N-O 3.4Å; F77-F153 PolarHBondContact O-N 2.75Å; V79-F153 HydrophobicContact CB-CE2 4.31Å; V79-F153 HydrophobicContact CG2-CD2 4.06Å; V79-F153 HydrophobicContact CG2-CE2 3.81Å; L88-F153 HydrophobicContact CD2-CE2 4.1Å; L88-F153 HydrophobicContact CD2-CZ 4.1Å; F109-F153 CarbonylContact O-C 3.57Å; F109-F153 VanDerWaalsContact O-CA 3.23Å; F109-F153 WeakPolarHBondContact O-CA 3.3Å; V110-F153 HydrophobicContact CB-CD1 4.1Å; V110-F153 HydrophobicContact CB-CE1 4.12Å; V110-F153 HydrophobicContact CG2-CD1 3.98Å; V110-F153 HydrophobicContact CG2-CE1 3.66Å; V110-F153 HydrophobicContact CG2-CZ 4.22Å; I122-F153 HydrophobicContact CD1-CD1 4.11Å; I122-F153 HydrophobicContact CD1-CE1 3.91Å; F139-F153 AromaticContact CE2-CD1 3.66Å; F139-F153 HydrophobicContact CE2-CD1 3.66Å; F139-F153 AromaticContact CE2-CE1 3.99Å; F139-F153 HydrophobicContact CE2-CE1 3.99Å; F139-F153 HydrophobicContact CE2-CG 4.27Å; F139-F153 HydrophobicContact CZ-CD1 4.29Å; H141-F153 HydrophobicContact CB-CE1 3.85Å; H141-F153 HydrophobicContact CB-CZ 4.09Å; H141-F153 AromaticContact CD2-CZ 3.91Å; H141-F153 AromaticContact CG-CE1 3.95Å; T151-F153 HydrophobicContact CG2-CD2 4.42Å; T151-F153 HydrophobicContact CG2-CE1 4.2Å; T151-F153 HydrophobicContact CG2-CE2 3.69Å; T151-F153 HydrophobicContact CG2-CZ 3.56Å |
| 154 | S | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152 | -177.6 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | F75 P108 F109 C156 | F75-S154 WeakPolarHBondContact CE2-O 3.48Å; F75-S154 WeakPolarHBondContact O-CA 3.44Å; P108-S154 WeakPolarHBondContact CA-O 3.47Å; F109-S154 PolarHBondContact N-O 3.19Å; F109-S154 PolarHBondContact O-N 3.18Å; S154-C156 VanDerWaalsContact CB-O 3.31Å; S154-C156 WeakPolarHBondContact CB-O 3.3Å; S154-C156 PolarHBondContact OG-O 3.3Å |
| 155 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -57.6 | -51.3 | 176.4 | 171.9 | -107 | 0 | 0 | 0 | 112.2 | S73 W74 F75 M95 L101 Y102 M106 Y524 | S73-F155 WeakPolarHBondContact O-CD2 3.47Å; W74-F155 HydrophobicContact CE3-CB 3.96Å; W74-F155 HydrophobicContact CE3-CD1 4.1Å; W74-F155 HydrophobicContact CE3-CG 4.45Å; W74-F155 HydrophobicContact CZ3-CB 4.2Å; W74-F155 HydrophobicContact CZ3-CD1 4.32Å; F75-F155 HydrophobicContact CD1-CB 4Å; F75-F155 HydrophobicContact CD1-CD2 4.41Å; F75-F155 HydrophobicContact CE1-CB 3.94Å; F75-F155 AromaticContact CE1-CD2 3.96Å; F75-F155 HydrophobicContact CE1-CD2 3.96Å; F75-F155 HydrophobicContact CE1-CG 4.47Å; F75-F155 HydrophobicContact CG-CB 4.36Å; F75-F155 HydrophobicContact CZ-CB 4.24Å; F75-F155 PolarHBondContact O-N 2.85Å; M95-F155 HydrophobicContact CE-CD2 3.69Å; M95-F155 HydrophobicContact CE-CE2 3.81Å; L101-F155 HydrophobicContact CD2-CE2 4.14Å; L101-F155 HydrophobicContact CD2-CZ 3.64Å; Y102-F155 HydrophobicContact CE2-CE2 4.42Å; M106-F155 WeakPolarHBondContact CE-O 3.41Å; F155-Y524 HydrophobicContact CE1-CD1 4.03Å; F155-Y524 AromaticContact CE1-CE1 3.91Å; F155-Y524 HydrophobicContact CE1-CE1 3.91Å; F155-Y524 HydrophobicContact CE1-CG 4.38Å |
| 156 | C | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -136.5 | -172.3 | 172 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | M106 F109 S154 P158 T257 Y524 | M106-C156 HydrophobicContact CE-CB 3.94Å; F109-C156 VanDerWaalsContact CD2-CA 3.43Å; F109-C156 HydrophobicContact CE2-CB 4.36Å; S154-C156 VanDerWaalsContact CB-O 3.31Å; S154-C156 WeakPolarHBondContact CB-O 3.3Å; S154-C156 PolarHBondContact OG-O 3.3Å; C156-P158 VanDerWaalsContact O-CD 3.24Å; C156-P158 WeakPolarHBondContact O-CD 3.31Å; C156-P158 VanDerWaalsContact O-N 3.09Å; C156-T257 PolarHBondContact SG-OG1 2.88Å; C156-Y524 HydrophobicContact CB-CD1 3.8Å; C156-Y524 HydrophobicContact CB-CE1 4.48Å |
| 157 | Y | 98.3 | Very high | 96.7 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -54.7 | 116.5 | 169.3 | -67.1 | -76.2 | 0 | 0 | 0 | 109.4 | F109 W119 T257 P557 | F109-Y157 AromaticContact CD1-CD1 3.97Å; F109-Y157 HydrophobicContact CD1-CD1 3.97Å; F109-Y157 AromaticContact CD1-CE1 3.74Å; F109-Y157 HydrophobicContact CD1-CE1 3.74Å; F109-Y157 HydrophobicContact CD1-CE2 4.36Å; F109-Y157 HydrophobicContact CD1-CG 4.38Å; F109-Y157 AromaticContact CD1-CZ 3.96Å; F109-Y157 AromaticContact CE1-CD1 3.83Å; F109-Y157 HydrophobicContact CE1-CD1 3.83Å; F109-Y157 AromaticContact CE1-CD2 3.8Å; F109-Y157 HydrophobicContact CE1-CD2 3.8Å; F109-Y157 AromaticContact CE1-CE1 3.35Å; F109-Y157 HydrophobicContact CE1-CE1 3.35Å; F109-Y157 AromaticContact CE1-CE2 3.32Å; F109-Y157 HydrophobicContact CE1-CE2 3.32Å; F109-Y157 HydrophobicContact CE1-CG 4.04Å; F109-Y157 AromaticContact CE1-CZ 3.08Å; F109-Y157 WeakPolarHBondContact CE1-OH 3.29Å; F109-Y157 HydrophobicContact CE2-CD2 4.24Å; F109-Y157 HydrophobicContact CE2-CE2 4.32Å; F109-Y157 HydrophobicContact CZ-CD1 4.37Å; F109-Y157 AromaticContact CZ-CD2 3.54Å; F109-Y157 HydrophobicContact CZ-CD2 3.54Å; F109-Y157 HydrophobicContact CZ-CE1 4.13Å; F109-Y157 AromaticContact CZ-CE2 3.24Å; F109-Y157 HydrophobicContact CZ-CE2 3.24Å; F109-Y157 HydrophobicContact CZ-CG 4.11Å; F109-Y157 AromaticContact CZ-CZ 3.59Å; W119-Y157 HydrophobicContact CB-CD1 3.69Å; W119-Y157 HydrophobicContact CB-CE1 3.79Å; W119-Y157 HydrophobicContact CG-CD1 4.35Å; Y157-T257 VanDerWaalsContact O-CB 3.29Å; Y157-T257 WeakPolarHBondContact O-CB 3.5Å; Y157-T257 PolarHBondContact O-OG1 2.93Å; Y157-P557 HydrophobicContact CD1-CG 4.06Å; Y157-P557 HydrophobicContact CD2-CG 4.25Å; Y157-P557 HydrophobicContact CE1-CG 4.25Å; Y157-P557 HydrophobicContact CE2-CG 4.43Å; Y157-P557 HydrophobicContact CG-CG 4.06Å |
| 158 | P | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | trans | -75.1 | 155.6 | 177.7 | 30.3 | -30 | 0 | 0 | 0 | 110.7 | W74 Y76 W119 C156 | W74-P158 HydrophobicContact CH2-CB 4.14Å; W74-P158 HydrophobicContact CZ2-CB 4.41Å; Y76-P158 HydrophobicContact CD1-CB 4.19Å; Y76-P158 HydrophobicContact CE1-CB 3.92Å; Y76-P158 HydrophobicContact CE1-CG 4.24Å; W119-P158 HydrophobicContact CD2-CG 4.23Å; W119-P158 VanDerWaalsContact CE2-CD 3.49Å; W119-P158 HydrophobicContact CH2-CG 3.94Å; W119-P158 HydrophobicContact CZ2-CG 3.23Å; C156-P158 VanDerWaalsContact O-CD 3.24Å; C156-P158 WeakPolarHBondContact O-CD 3.31Å; C156-P158 VanDerWaalsContact O-N 3.09Å | ||
| 159 | F | 98.4 | Very high | 97.9 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | trans | -150.8 | 99.4 | 169.3 | -168.5 | -95.4 | 0 | 0 | 0 | 106.7 | E163 C164 M167 R251 S260 F261 | F159-E163 VanDerWaalsContact CA-OE2 3.3Å; F159-E163 WeakPolarHBondContact CA-OE2 3.26Å; F159-C164 HydrophobicContact CD1-CB 4.4Å; F159-C164 HydrophobicContact CE1-CB 3.6Å; F159-C164 HydrophobicContact CZ-CB 4.21Å; F159-M167 HydrophobicContact CZ-CE 4.42Å; F159-M167 HydrophobicContact CZ-SD 4.18Å; F159-R251 PolarHBondContact O-NH1 3.05Å; F159-R251 PolarHBondContact O-NH2 3.14Å; F159-S260 VanDerWaalsContact CD1-CB 3.48Å; F159-S260 WeakPolarHBondContact CD1-OG 3.42Å; F159-F261 HydrophobicContact CB-CZ 4.16Å; F159-F261 HydrophobicContact CD2-CE1 4.12Å; F159-F261 HydrophobicContact CD2-CZ 4.43Å | ||
| 160 | S | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | trans | -79.6 | 171.3 | -171.7 | 81.7 | 0 | 0 | 0 | 0 | 112.4 | D15 S162 E163 C164 | D15-S160 VanDerWaalsContact CG-CB 3.48Å; D15-S160 WeakPolarHBondContact OD2-CB 3.49Å; D15-S160 PolarHBondContact OD2-OG 2.89Å; S160-S162 PolarHBondContact OG-N 2.96Å; S160-E163 PolarHBondContact N-OE2 3.49Å; S160-E163 WeakPolarHBondContact OG-CB 3.41Å; S160-E163 WeakPolarHBondContact OG-CG 3.49Å; S160-E163 PolarHBondContact OG-N 3.34Å; S160-C164 PolarHBondContact O-N 3.27Å | ||
| 161 | Y | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 174.8 | 174.6 | -112.8 | 0 | 0 | 0 | 110.8 | D15 C164 Q165 N204 R205 M292 P295 V299 | D15-Y161 PolarHBondContact OD2-N 2.85Å; D15-Y161 VanDerWaalsContact OD2-N 3.12Å; Y161-C164 WeakPolarHBondContact O-CA 3.46Å; Y161-C164 VanDerWaalsContact O-CB 3.28Å; Y161-C164 WeakPolarHBondContact O-CB 3.24Å; Y161-C164 PolarHBondContact O-N 2.76Å; Y161-C164 VanDerWaalsContact O-N 3.12Å; Y161-Q165 HydrophobicContact CD1-CG 4.24Å; Y161-Q165 HydrophobicContact CD2-CG 4.29Å; Y161-Q165 HydrophobicContact CE1-CG 3.81Å; Y161-Q165 HydrophobicContact CE2-CG 3.87Å; Y161-Q165 HydrophobicContact CG-CG 4.46Å; Y161-Q165 WeakPolarHBondContact O-CG 3.22Å; Y161-Q165 PolarHBondContact O-N 3.05Å; Y161-N204 HydrophobicContact CE1-CB 4.17Å; Y161-N204 HydrophobicContact CE2-CB 4.48Å; Y161-R205 WeakPolarHBondContact CE2-O 3.36Å; Y161-R205 WeakPolarHBondContact OH-CA 3.35Å; Y161-R205 WeakPolarHBondContact OH-CB 3.33Å; Y161-R205 PolarHBondContact OH-N 3.01Å; Y161-R205 PolarHBondContact OH-O 3.4Å; Y161-R205 VanDerWaalsContact OH-O 3.06Å; Y161-M292 HydrophobicContact CD2-SD 3.75Å; Y161-M292 HydrophobicContact CG-SD 4.49Å; Y161-P295 HydrophobicContact CD2-CB 3.53Å; Y161-P295 HydrophobicContact CE2-CB 3.54Å; Y161-P295 HydrophobicContact CG-CB 4.28Å; Y161-V299 HydrophobicContact CD1-CG2 3.81Å; Y161-V299 HydrophobicContact CG-CG2 3.9Å |
| 162 | S | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 178.3 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | D15 S160 C164 Q165 E166 | D15-S162 VanDerWaalsContact OD2-CB 3.29Å; D15-S162 WeakPolarHBondContact OD2-CB 3.48Å; D15-S162 PolarHBondContact OD2-N 3.26Å; D15-S162 PolarHBondContact OD2-OG 2.9Å; S160-S162 PolarHBondContact OG-N 2.96Å; S162-C164 PolarHBondContact O-N 3.1Å; S162-Q165 PolarHBondContact O-N 2.83Å; S162-Q165 VanDerWaalsContact O-N 3.12Å; S162-E166 WeakPolarHBondContact O-CB 3.31Å; S162-E166 WeakPolarHBondContact O-CG 3.47Å; S162-E166 PolarHBondContact O-N 3.09Å |
| 163 | E | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -37.8 | 174.1 | -74.6 | 174.4 | 143.5 | 0 | 0 | 111.3 | F159 S160 M167 | F159-E163 VanDerWaalsContact CA-OE2 3.3Å; F159-E163 WeakPolarHBondContact CA-OE2 3.26Å; S160-E163 PolarHBondContact N-OE2 3.49Å; S160-E163 WeakPolarHBondContact OG-CB 3.41Å; S160-E163 WeakPolarHBondContact OG-CG 3.49Å; S160-E163 PolarHBondContact OG-N 3.34Å; E163-M167 WeakPolarHBondContact O-CB 3.28Å; E163-M167 PolarHBondContact O-N 2.9Å; E163-M167 VanDerWaalsContact O-N 3.08Å |
| 164 | C | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -47.3 | 174.2 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | F159 S160 Y161 S162 M167 L168 M292 | F159-C164 HydrophobicContact CD1-CB 4.4Å; F159-C164 HydrophobicContact CE1-CB 3.6Å; F159-C164 HydrophobicContact CZ-CB 4.21Å; S160-C164 PolarHBondContact O-N 3.27Å; Y161-C164 WeakPolarHBondContact O-CA 3.46Å; Y161-C164 VanDerWaalsContact O-CB 3.28Å; Y161-C164 WeakPolarHBondContact O-CB 3.24Å; Y161-C164 PolarHBondContact O-N 2.76Å; Y161-C164 VanDerWaalsContact O-N 3.12Å; S162-C164 PolarHBondContact O-N 3.1Å; C164-M167 PolarHBondContact O-N 3.02Å; C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.42Å; C164-L168 PolarHBondContact O-N 3.18Å; C164-M292 HydrophobicContact CB-CE 3.91Å |
| 165 | Q | 98.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.9 | -67.7 | -61.8 | -64.6 | 0 | 0 | 112.2 | Y161 S162 L168 Q169 D207 | Y161-Q165 HydrophobicContact CD1-CG 4.24Å; Y161-Q165 HydrophobicContact CD2-CG 4.29Å; Y161-Q165 HydrophobicContact CE1-CG 3.81Å; Y161-Q165 HydrophobicContact CE2-CG 3.87Å; Y161-Q165 HydrophobicContact CG-CG 4.46Å; Y161-Q165 WeakPolarHBondContact O-CG 3.22Å; Y161-Q165 PolarHBondContact O-N 3.05Å; S162-Q165 PolarHBondContact O-N 2.83Å; S162-Q165 VanDerWaalsContact O-N 3.12Å; Q165-L168 PolarHBondContact O-N 3.27Å; Q165-Q169 WeakPolarHBondContact O-CB 3.15Å; Q165-Q169 PolarHBondContact O-N 2.81Å; Q165-D207 PolarHBondContact NE2-OD2 3.26Å; Q165-D207 PolarHBondContact OE1-OD2 2.85Å |
| 166 | E | 98.5 | Very high | 96.9 | Very high | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.2 | -73.2 | 170.4 | -167.4 | 0 | 0 | 111.5 | S162 L168 Q169 Q170 | S162-E166 WeakPolarHBondContact O-CB 3.31Å; S162-E166 WeakPolarHBondContact O-CG 3.47Å; S162-E166 PolarHBondContact O-N 3.09Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 2.79Å; E166-Q169 PolarHBondContact O-N 2.82Å; E166-Q170 WeakPolarHBondContact O-CG 3.45Å; E166-Q170 PolarHBondContact O-N 3.06Å |
| 167 | M | 98.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.8 | -179.4 | -166.8 | 74.3 | 0 | 0 | 111.6 | F159 E163 C164 Q170 L171 N264 | F159-M167 HydrophobicContact CZ-CE 4.42Å; F159-M167 HydrophobicContact CZ-SD 4.18Å; E163-M167 WeakPolarHBondContact O-CB 3.28Å; E163-M167 PolarHBondContact O-N 2.9Å; E163-M167 VanDerWaalsContact O-N 3.08Å; C164-M167 PolarHBondContact O-N 3.02Å; M167-Q170 PolarHBondContact O-N 2.78Å; M167-L171 WeakPolarHBondContact O-CG 3.45Å; M167-L171 PolarHBondContact O-N 2.84Å; M167-N264 WeakPolarHBondContact CE-OD1 3.39Å |
| 168 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 178.4 | -65 | 178.8 | 0 | 0 | 0 | 111.9 | C164 Q165 E166 Q170 L171 D172 R194 D207 L209 P291 | C164-L168 VanDerWaalsContact O-CG 3.3Å; C164-L168 WeakPolarHBondContact O-CG 3.42Å; C164-L168 PolarHBondContact O-N 3.18Å; Q165-L168 PolarHBondContact O-N 3.27Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 2.79Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.43Å; L168-L171 HydrophobicContact CD2-CD1 4.2Å; L168-L171 WeakPolarHBondContact O-CB 3.22Å; L168-L171 PolarHBondContact O-N 3.07Å; L168-L171 VanDerWaalsContact O-N 3.1Å; L168-D172 VanDerWaalsContact O-CG 3.29Å; L168-D172 PolarHBondContact O-N 2.7Å; L168-R194 VanDerWaalsContact CB-CZ 3.4Å; L168-R194 VanDerWaalsContact CB-NH1 3.26Å; L168-D207 HydrophobicContact CD1-CB 4.09Å; L168-L209 HydrophobicContact CD2-CD1 3.76Å; L168-L209 HydrophobicContact CD2-CD2 3.99Å; L168-L209 HydrophobicContact CD2-CG 4.41Å; L168-P291 HydrophobicContact CD1-CG 4.09Å; L168-P291 HydrophobicContact CD2-CG 4.23Å |
| 169 | Q | 98.1 | Very high | 95.1 | Very high | 107 Ų | 107 | 53.1 Ų | 53.1 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.8 | -177.2 | 174.8 | 10.3 | 0 | 0 | 111.9 | Q165 E166 L171 D172 E173 | Q165-Q169 WeakPolarHBondContact O-CB 3.15Å; Q165-Q169 PolarHBondContact O-N 2.81Å; E166-Q169 PolarHBondContact O-N 2.82Å; Q169-L171 PolarHBondContact O-N 3.42Å; Q169-D172 WeakPolarHBondContact O-CB 3.12Å; Q169-D172 PolarHBondContact O-N 2.76Å; Q169-D172 VanDerWaalsContact O-N 3.14Å; Q169-E173 WeakPolarHBondContact O-CG 3.36Å; Q169-E173 PolarHBondContact O-N 2.96Å |
| 170 | Q | 97.9 | Very high | 94.6 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62 | -33.4 | 174.1 | -70.1 | 170.9 | 8.6 | 0 | 0 | 112.4 | E166 M167 L168 S174 | E166-Q170 WeakPolarHBondContact O-CG 3.45Å; E166-Q170 PolarHBondContact O-N 3.06Å; M167-Q170 PolarHBondContact O-N 2.78Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 3.43Å; Q170-S174 WeakPolarHBondContact O-CB 3.45Å; Q170-S174 PolarHBondContact O-N 2.66Å; Q170-S174 VanDerWaalsContact O-N 3.15Å; Q170-S174 PolarHBondContact O-OG 2.89Å |
| 171 | L | 96.9 | Very high | 94.4 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 173 | -65.1 | 173.8 | 0 | 0 | 0 | 111.2 | M167 L168 Q169 E173 S174 Y175 Y192 L267 L271 | M167-L171 WeakPolarHBondContact O-CG 3.45Å; M167-L171 PolarHBondContact O-N 2.84Å; L168-L171 HydrophobicContact CD2-CD1 4.2Å; L168-L171 WeakPolarHBondContact O-CB 3.22Å; L168-L171 PolarHBondContact O-N 3.07Å; L168-L171 VanDerWaalsContact O-N 3.1Å; Q169-L171 PolarHBondContact O-N 3.42Å; L171-E173 PolarHBondContact O-N 2.67Å; L171-S174 PolarHBondContact O-N 2.97Å; L171-Y175 HydrophobicContact CD2-CE2 3.95Å; L171-Y175 WeakPolarHBondContact O-CD2 3.36Å; L171-Y175 PolarHBondContact O-N 3.23Å; L171-Y192 HydrophobicContact CB-CE1 4.19Å; L171-Y192 HydrophobicContact CB-CE2 4.21Å; L171-Y192 WeakPolarHBondContact CB-OH 3.02Å; L171-Y192 HydrophobicContact CD1-CE2 4.26Å; L171-L267 HydrophobicContact CD1-CD2 3.85Å; L171-L271 HydrophobicContact CD1-CD1 4.4Å; L171-L271 HydrophobicContact CD2-CD1 4.02Å |
| 172 | D | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -55.7 | -36.2 | 175.5 | -62.5 | -38.8 | 0 | 0 | 0 | 111.4 | L168 Q169 Y192 R194 | L168-D172 VanDerWaalsContact O-CG 3.29Å; L168-D172 PolarHBondContact O-N 2.7Å; Q169-D172 WeakPolarHBondContact O-CB 3.12Å; Q169-D172 PolarHBondContact O-N 2.76Å; Q169-D172 VanDerWaalsContact O-N 3.14Å; D172-Y192 WeakPolarHBondContact OD1-CE1 3.14Å; D172-Y192 PolarHBondContact OD1-OH 2.85Å; D172-R194 WeakPolarHBondContact OD1-CB 3.16Å; D172-R194 WeakPolarHBondContact OD1-CD 3.4Å; D172-R194 VanDerWaalsContact OD2-CD 3.26Å; D172-R194 WeakPolarHBondContact OD2-CD 3.39Å; D172-R194 IonicContact OD2-CZ 3.5Å; D172-R194 IonicContact OD2-NE 3.68Å; D172-R194 IonicContact OD2-NH1 2.83Å; D172-R194 PolarHBondContact OD2-NH1 2.86Å |
| 173 | E | 95.5 | Very high | 94 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76.6 | -25.4 | 175.5 | -67.2 | 169.2 | -172 | 0 | 0 | 113.7 | Q169 L171 | Q169-E173 WeakPolarHBondContact O-CG 3.36Å; Q169-E173 PolarHBondContact O-N 2.96Å; L171-E173 PolarHBondContact O-N 2.67Å |
| 174 | S | 94.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 63 Ų | 63 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -89.4 | -14.5 | -173.3 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | Q170 L171 R273 | Q170-S174 WeakPolarHBondContact O-CB 3.45Å; Q170-S174 PolarHBondContact O-N 2.66Å; Q170-S174 VanDerWaalsContact O-N 3.15Å; Q170-S174 PolarHBondContact O-OG 2.89Å; L171-S174 PolarHBondContact O-N 2.97Å; S174-R273 PolarHBondContact O-NH2 2.84Å; S174-R273 VanDerWaalsContact O-NH2 3.1Å |
| 175 | Y | 92.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -122.3 | 147.4 | -178.1 | -67.6 | -79.5 | 0 | 0 | 0 | 111.4 | L171 N177 I190 Y192 L271 | L171-Y175 HydrophobicContact CD2-CE2 3.95Å; L171-Y175 WeakPolarHBondContact O-CD2 3.36Å; L171-Y175 PolarHBondContact O-N 3.23Å; Y175-N177 PolarHBondContact O-N 3.38Å; Y175-I190 HydrophobicContact CD1-CB 4.38Å; Y175-I190 HydrophobicContact CD1-CG2 4.1Å; Y175-I190 HydrophobicContact CE1-CB 4.29Å; Y175-I190 HydrophobicContact CE1-CD1 4Å; Y175-I190 HydrophobicContact CE1-CG2 3.98Å; Y175-Y192 HydrophobicContact CD2-CD1 4.23Å; Y175-Y192 HydrophobicContact CD2-CG 4.14Å; Y175-Y192 HydrophobicContact CG-CD1 4.35Å; Y175-Y192 HydrophobicContact CG-CG 4.22Å; Y175-L271 HydrophobicContact CE1-CD2 4.33Å; Y175-L271 HydrophobicContact CE2-CD1 4.16Å; Y175-L271 HydrophobicContact CE2-CD2 4.27Å; Y175-L271 PolarHBondContact OH-O 3.15Å |
| 176 | P | 84.9 | Confident | 93.5 | Very high | 63 Ų | 63 | 65.3 Ų | 65.3 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | trans | -55.1 | 142.9 | 173 | -22.4 | 33 | 0 | 0 | 0 | 110.7 | A178 L181 | P176-A178 PolarHBondContact O-N 2.85Å; P176-A178 VanDerWaalsContact O-N 3.14Å; P176-L181 HydrophobicContact CB-CD2 4.39Å | ||
| 177 | N | 86.4 | Confident | 93.3 | Very high | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 37% | 0.369 | S | S | . | . | trans | -59.5 | 122.7 | 172.7 | -175.8 | -31.3 | 0 | 0 | 0 | 108.7 | Y175 A179 Q180 | Y175-N177 PolarHBondContact O-N 3.38Å; N177-A179 PolarHBondContact O-N 2.65Å; N177-A179 VanDerWaalsContact OD1-CB 3.3Å; N177-A179 WeakPolarHBondContact OD1-CB 3.42Å; N177-A179 PolarHBondContact OD1-N 3.19Å; N177-Q180 HydrophobicContact CB-CG 4.15Å; N177-Q180 WeakPolarHBondContact O-CB 3.42Å; N177-Q180 PolarHBondContact O-N 3.01Å | ||
| 178 | A | 83.8 | Confident | 93.1 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -55 | -27.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P176 Q180 L181 Y191 H193 | P176-A178 PolarHBondContact O-N 2.85Å; P176-A178 VanDerWaalsContact O-N 3.14Å; A178-Q180 PolarHBondContact O-N 2.89Å; A178-L181 PolarHBondContact O-N 2.86Å; A178-Y191 HydrophobicContact CB-CE1 4.34Å; A178-Y191 HydrophobicContact CB-CE2 3.96Å; A178-H193 HydrophobicContact CB-CB 3.76Å |
| 179 | A | 84.8 | Confident | 93 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -66.4 | -19.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N177 P235 | N177-A179 PolarHBondContact O-N 2.65Å; N177-A179 VanDerWaalsContact OD1-CB 3.3Å; N177-A179 WeakPolarHBondContact OD1-CB 3.42Å; N177-A179 PolarHBondContact OD1-N 3.19Å; A179-P235 HydrophobicContact CB-CG 4.03Å |
| 180 | Q | 88.6 | Confident | 93 | Very high | 148 Ų | 148 | 62.4 Ų | 62.4 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -89.7 | -11 | 176.8 | -60.9 | 172.6 | -10.2 | 0 | 0 | 112.7 | N177 A178 | N177-Q180 HydrophobicContact CB-CG 4.15Å; N177-Q180 WeakPolarHBondContact O-CB 3.42Å; N177-Q180 PolarHBondContact O-N 3.01Å; A178-Q180 PolarHBondContact O-N 2.89Å |
| 181 | L | 94.1 | Very high | 93 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | trans | -84.3 | 147.3 | 175.3 | -59.5 | 174.8 | 0 | 0 | 0 | 109.4 | P176 A178 T189 Y191 M217 H238 | P176-L181 HydrophobicContact CB-CD2 4.39Å; A178-L181 PolarHBondContact O-N 2.86Å; L181-T189 HydrophobicContact CD2-CG2 4.15Å; L181-Y191 HydrophobicContact CD1-CD2 3.83Å; L181-Y191 HydrophobicContact CD1-CE2 4.45Å; L181-M217 HydrophobicContact CB-CE 4.32Å; L181-H238 PolarHBondContact O-NE2 3.14Å; L181-H238 VanDerWaalsContact O-NE2 3.12Å | ||
| 182 | S | 94.4 | Very high | 93.1 | Very high | 41 Ų | 41 | 56.1 Ų | 56.1 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | trans | -143 | 167.9 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | S184 S185 M217 | S182-S184 PolarHBondContact O-N 3.29Å; S182-S184 PolarHBondContact OG-OG 2.91Å; S182-S185 PolarHBondContact N-OG 2.94Å; S182-S185 WeakPolarHBondContact O-CB 3.22Å; S182-S185 PolarHBondContact O-N 2.96Å; S182-S185 PolarHBondContact O-OG 3.15Å; S182-S185 VanDerWaalsContact O-OG 3.14Å; S182-M217 VanDerWaalsContact CA-CE 3.48Å; S182-M217 WeakPolarHBondContact O-CE 3.19Å | ||
| 183 | P | 94.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 34% | 0.344 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -17.5 | -179.7 | -29.1 | 38.3 | 0 | 0 | 0 | 114.6 | D219 | P183-D219 WeakPolarHBondContact CD-OD1 3.3Å; P183-D219 HydrophobicContact CG-CB 4.49Å; P183-D219 VanDerWaalsContact CG-OD1 3.3Å; P183-D219 WeakPolarHBondContact CG-OD1 3.19Å |
| 184 | S | 94.4 | Very high | 93.3 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 78% | 0.783 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.6 | 173 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | S182 | S182-S184 PolarHBondContact O-N 3.29Å; S182-S184 PolarHBondContact OG-OG 2.91Å |
| 185 | S | 95.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -60 | 148.8 | 171.7 | -69.8 | 0 | 0 | 0 | 0 | 111 | S182 | S182-S185 PolarHBondContact N-OG 2.94Å; S182-S185 WeakPolarHBondContact O-CB 3.22Å; S182-S185 PolarHBondContact O-N 2.96Å; S182-S185 PolarHBondContact O-OG 3.15Å; S182-S185 VanDerWaalsContact O-OG 3.14Å |
| 186 | A | 95.5 | Very high | 93.7 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 51% | 0.512 | 28% | 0.281 | S | S | . | . | trans | -55.1 | 130 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G188 T189 | A186-G188 PolarHBondContact O-N 3.26Å; A186-G188 VanDerWaalsContact O-N 3.1Å; A186-T189 WeakPolarHBondContact O-CB 3.45Å; A186-T189 PolarHBondContact O-N 3.16Å; A186-T189 PolarHBondContact O-OG1 2.9Å; A186-T189 VanDerWaalsContact O-OG1 3.04Å | ||
| 187 | P | 94.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33 | -170 | -28.7 | 34.4 | 0 | 0 | 0 | 114.7 | T189 N213 C214 A215 | P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 2.71Å; P187-N213 WeakPolarHBondContact O-CB 3.45Å; P187-C214 PolarHBondContact O-N 2.85Å; P187-A215 HydrophobicContact CB-CB 3.95Å; P187-A215 PolarHBondContact O-N 2.85Å |
| 188 | G | 94.3 | Very high | 95 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 46% | 0.464 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | A186 I190 | A186-G188 PolarHBondContact O-N 3.26Å; A186-G188 VanDerWaalsContact O-N 3.1Å; G188-I190 PolarHBondContact O-N 3.2Å |
| 189 | T | 96.2 | Very high | 95.7 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -61.3 | 131 | 179.9 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | L181 A186 P187 Y191 N213 C214 | L181-T189 HydrophobicContact CD2-CG2 4.15Å; A186-T189 WeakPolarHBondContact O-CB 3.45Å; A186-T189 PolarHBondContact O-N 3.16Å; A186-T189 PolarHBondContact O-OG1 2.9Å; A186-T189 VanDerWaalsContact O-OG1 3.04Å; P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 2.71Å; T189-Y191 PolarHBondContact O-N 3.28Å; T189-N213 CarbonylContact O-C 3.46Å; T189-N213 WeakPolarHBondContact O-CA 3.27Å; T189-N213 WeakPolarHBondContact O-CB 3.43Å; T189-C214 PolarHBondContact O-N 2.87Å; T189-C214 PolarHBondContact O-SG 3.45Å |
| 190 | I | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 121.5 | 176.8 | -61.6 | 177.8 | 0 | 0 | 0 | 108.5 | Y175 G188 L271 R273 | Y175-I190 HydrophobicContact CD1-CB 4.38Å; Y175-I190 HydrophobicContact CD1-CG2 4.1Å; Y175-I190 HydrophobicContact CE1-CB 4.29Å; Y175-I190 HydrophobicContact CE1-CD1 4Å; Y175-I190 HydrophobicContact CE1-CG2 3.98Å; G188-I190 PolarHBondContact O-N 3.2Å; I190-L271 VanDerWaalsContact CD1-O 3.3Å; I190-L271 WeakPolarHBondContact CD1-O 3.47Å; I190-L271 HydrophobicContact CG2-CD2 3.92Å; I190-R273 HydrophobicContact CD1-CG 3.79Å |
| 191 | Y | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.7 | 168.7 | -174.8 | -82.3 | 0 | 0 | 0 | 107.6 | A178 L181 T189 H193 T210 V211 T212 M217 P237 H238 F240 | A178-Y191 HydrophobicContact CB-CE1 4.34Å; A178-Y191 HydrophobicContact CB-CE2 3.96Å; L181-Y191 HydrophobicContact CD1-CD2 3.83Å; L181-Y191 HydrophobicContact CD1-CE2 4.45Å; T189-Y191 PolarHBondContact O-N 3.28Å; Y191-H193 HydrophobicContact CE1-CB 3.77Å; Y191-T210 HydrophobicContact CE1-CG2 4.24Å; Y191-V211 CarbonylContact O-C 3.59Å; Y191-V211 VanDerWaalsContact O-CA 3.31Å; Y191-V211 WeakPolarHBondContact O-CA 3.3Å; Y191-T212 HydrophobicContact CD1-CG2 4.05Å; Y191-T212 HydrophobicContact CG-CG2 4.16Å; Y191-T212 PolarHBondContact N-O 3.12Å; Y191-T212 PolarHBondContact O-N 3.39Å; Y191-M217 HydrophobicContact CD2-SD 3.63Å; Y191-M217 HydrophobicContact CE2-SD 3.67Å; Y191-P237 HydrophobicContact CE1-CB 4.08Å; Y191-P237 WeakPolarHBondContact OH-CA 3.29Å; Y191-P237 WeakPolarHBondContact OH-CB 3.38Å; Y191-H238 HydrophobicContact CE2-CB 4.13Å; Y191-H238 AromaticContact CE2-CD2 3.79Å; Y191-H238 PolarHBondContact OH-N 3.08Å; Y191-F240 HydrophobicContact CD1-CE2 4.12Å; Y191-F240 HydrophobicContact CD1-CZ 4.09Å; Y191-F240 AromaticContact CD2-CZ 3.87Å; Y191-F240 HydrophobicContact CD2-CZ 3.87Å; Y191-F240 HydrophobicContact CE1-CE2 4.17Å; Y191-F240 HydrophobicContact CE1-CZ 4.43Å; Y191-F240 HydrophobicContact CE2-CZ 4.23Å; Y191-F240 HydrophobicContact CG-CE2 4.3Å; Y191-F240 AromaticContact CG-CZ 3.8Å; Y191-F240 HydrophobicContact CG-CZ 3.8Å |
| 192 | Y | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.5 | 175.7 | 170 | -92.1 | 0 | 0 | 0 | 108.3 | L171 D172 Y175 R194 L209 V211 L271 | L171-Y192 HydrophobicContact CB-CE1 4.19Å; L171-Y192 HydrophobicContact CB-CE2 4.21Å; L171-Y192 WeakPolarHBondContact CB-OH 3.02Å; L171-Y192 HydrophobicContact CD1-CE2 4.26Å; D172-Y192 WeakPolarHBondContact OD1-CE1 3.14Å; D172-Y192 PolarHBondContact OD1-OH 2.85Å; Y175-Y192 HydrophobicContact CD2-CD1 4.23Å; Y175-Y192 HydrophobicContact CD2-CG 4.14Å; Y175-Y192 HydrophobicContact CG-CD1 4.35Å; Y175-Y192 HydrophobicContact CG-CG 4.22Å; Y192-R194 HydrophobicContact CE1-CB 4.29Å; Y192-L209 HydrophobicContact CE2-CD1 4.46Å; Y192-L209 HydrophobicContact CE2-CD2 4.31Å; Y192-V211 HydrophobicContact CD2-CG2 3.9Å; Y192-L271 HydrophobicContact CD2-CD2 4.3Å |
| 193 | H | 98.3 | Very high | 97.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 121.2 | 177.6 | 179.5 | 77.1 | 0 | 0 | 0 | 110 | A178 Y191 E195 L209 T210 P235 P237 | A178-H193 HydrophobicContact CB-CB 3.76Å; Y191-H193 HydrophobicContact CE1-CB 3.77Å; H193-E195 IonicContact NE2-OE2 3.88Å; H193-L209 CarbonylContact O-C 3.45Å; H193-L209 WeakPolarHBondContact O-CA 3.44Å; H193-T210 PolarHBondContact N-O 2.89Å; H193-T210 PolarHBondContact O-N 2.82Å; H193-P235 PolarHBondContact CE1-O 3.27Å; H193-P235 VanDerWaalsContact CE1-O 3.22Å; H193-P237 HydrophobicContact CB-CB 4.31Å |
| 194 | R | 98.1 | Very high | 97.4 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.2 | 171.3 | 178.3 | -173.6 | 178.4 | -174.3 | 4 | 109.3 | L168 D172 Y192 D207 L208 L209 | L168-R194 VanDerWaalsContact CB-CZ 3.4Å; L168-R194 VanDerWaalsContact CB-NH1 3.26Å; D172-R194 WeakPolarHBondContact OD1-CB 3.16Å; D172-R194 WeakPolarHBondContact OD1-CD 3.4Å; D172-R194 VanDerWaalsContact OD2-CD 3.26Å; D172-R194 WeakPolarHBondContact OD2-CD 3.39Å; D172-R194 IonicContact OD2-CZ 3.5Å; D172-R194 IonicContact OD2-NE 3.68Å; D172-R194 IonicContact OD2-NH1 2.83Å; D172-R194 PolarHBondContact OD2-NH1 2.86Å; Y192-R194 HydrophobicContact CE1-CB 4.29Å; R194-D207 IonicContact CZ-OD1 2.93Å; R194-D207 IonicContact CZ-OD2 3.68Å; R194-D207 IonicContact NE-OD1 3.52Å; R194-D207 PolarHBondContact NE-OD1 3.37Å; R194-D207 IonicContact NE-OD2 2.77Å; R194-D207 VanDerWaalsContact NH2-CG 3.34Å; R194-D207 IonicContact NH2-OD1 3.67Å; R194-D207 PolarHBondContact NH2-OD1 3.15Å; R194-D207 IonicContact NH2-OD2 3.65Å; R194-D207 PolarHBondContact NH2-OD2 2.98Å; R194-L208 WeakPolarHBondContact CA-O 3.23Å; R194-L209 HydrophobicContact CB-CD2 3.78Å; R194-L209 HydrophobicContact CG-CD2 3.71Å |
| 195 | E | 97.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.3 | 175.7 | 55.7 | 178 | 157.2 | 0 | 0 | 112.8 | H193 L197 D207 L208 F229 R236 P237 | H193-E195 IonicContact NE2-OE2 3.88Å; E195-L197 PolarHBondContact O-N 2.71Å; E195-D207 WeakPolarHBondContact O-CA 3.21Å; E195-L208 HydrophobicContact CG-CB 4.16Å; E195-L208 HydrophobicContact CG-CD2 4.38Å; E195-L208 PolarHBondContact N-O 2.71Å; E195-L208 PolarHBondContact O-N 3.49Å; E195-F229 HydrophobicContact CG-CD1 4.21Å; E195-F229 HydrophobicContact CG-CE1 4.16Å; E195-F229 WeakPolarHBondContact OE2-CD1 3.25Å; E195-R236 VanDerWaalsContact CD-NE 3.32Å; E195-R236 IonicContact OE1-CZ 3.76Å; E195-R236 IonicContact OE1-NE 3.94Å; E195-R236 PolarHBondContact OE1-NE 3.39Å; E195-R236 IonicContact OE1-NH2 2.77Å; E195-R236 PolarHBondContact OE1-NH2 2.92Å; E195-R236 WeakPolarHBondContact OE2-CD 3.35Å; E195-R236 IonicContact OE2-CZ 3.85Å; E195-R236 IonicContact OE2-NE 2.74Å; E195-R236 PolarHBondContact OE2-NE 3.07Å; E195-R236 IonicContact OE2-NH2 3.79Å; E195-P237 WeakPolarHBondContact OE1-CD 3.39Å |
| 196 | L | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 109.2 | 169.9 | -176.8 | 51.4 | 0 | 0 | 0 | 109 | C198 R205 F229 P230 D231 | L196-C198 VanDerWaalsContact CD1-O 3.22Å; L196-C198 WeakPolarHBondContact CD1-O 3.48Å; L196-R205 HydrophobicContact CD1-CB 3.64Å; L196-R205 HydrophobicContact CD1-CG 3.76Å; L196-F229 WeakPolarHBondContact O-CA 3.4Å; L196-P230 HydrophobicContact CD2-CG 3.64Å; L196-P230 HydrophobicContact CG-CG 3.92Å; L196-D231 HydrophobicContact CB-CB 4.47Å |
| 197 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -53.6 | 176.8 | 177.7 | 54.7 | 0 | 0 | 0 | 110.9 | E195 V206 L208 L228 F229 I290 A329 L333 | E195-L197 PolarHBondContact O-N 2.71Å; L197-V206 VanDerWaalsContact CB-O 3.22Å; L197-V206 WeakPolarHBondContact CB-O 3.38Å; L197-V206 HydrophobicContact CD2-CG1 4.36Å; L197-V206 PolarHBondContact N-O 3.35Å; L197-L208 HydrophobicContact CB-CB 4.02Å; L197-L208 HydrophobicContact CD2-CB 4.44Å; L197-L228 HydrophobicContact CD1-CD1 4.15Å; L197-F229 HydrophobicContact CD1-CD1 4.35Å; L197-F229 HydrophobicContact CD1-CE1 3.52Å; L197-F229 HydrophobicContact CD1-CE2 4.34Å; L197-F229 HydrophobicContact CD1-CZ 3.5Å; L197-F229 PolarHBondContact O-N 3.1Å; L197-I290 HydrophobicContact CD2-CD1 3.55Å; L197-I290 HydrophobicContact CD2-CG1 4.11Å; L197-A329 HydrophobicContact CD1-CB 3.9Å; L197-A329 HydrophobicContact CD2-CB 3.65Å; L197-A329 HydrophobicContact CG-CB 3.58Å; L197-L333 HydrophobicContact CD1-CD1 3.65Å; L197-L333 HydrophobicContact CD1-CG 4.25Å; L197-L333 HydrophobicContact CD2-CD1 3.97Å; L197-L333 HydrophobicContact CG-CD1 4.48Å |
| 198 | C | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 169.3 | 175 | 66 | 0 | 0 | 0 | 0 | 109.5 | L196 V206 L228 | L196-C198 VanDerWaalsContact CD1-O 3.22Å; L196-C198 WeakPolarHBondContact CD1-O 3.48Å; C198-V206 WeakPolarHBondContact O-CB 3.22Å; C198-V206 PolarHBondContact O-N 2.93Å; C198-L228 HydrophobicContact CB-CD2 4.2Å |
| 199 | N | 98.8 | Very high | 98.4 | Very high | 72 Ų | 72 | 25.2 Ų | 25.2 | 39% | 0.385 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 145.1 | 164.9 | -62.9 | -49.9 | 0 | 0 | 0 | 109.3 | N204 P325 | N199-N204 CarbonylContact C-O 3.06Å; N199-N204 WeakPolarHBondContact CA-O 3.49Å; N199-P325 WeakPolarHBondContact O-CB 3.47Å; N199-P325 WeakPolarHBondContact O-CG 3.41Å |
| 200 | S | 98.6 | Very high | 98.5 | Very high | 14 Ų | 14 | 23 Ų | 23 | 10% | 0.098 | 12% | 0.124 | C | C | . | . | trans | -73.2 | -178.6 | 167.5 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | D202 G203 N204 D296 | S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact O-N 3.2Å; S200-G203 PolarHBondContact O-N 3.04Å; S200-N204 PolarHBondContact N-O 2.94Å; S200-N204 WeakPolarHBondContact OG-CA 3.4Å; S200-N204 WeakPolarHBondContact OG-CB 3.49Å; S200-N204 PolarHBondContact OG-N 3.29Å; S200-N204 PolarHBondContact OG-O 3.18Å; S200-D296 VanDerWaalsContact CB-CG 3.49Å; S200-D296 WeakPolarHBondContact CB-OD1 3.25Å; S200-D296 WeakPolarHBondContact CB-OD2 3.37Å; S200-D296 PolarHBondContact OG-OD1 3.15Å; S200-D296 PolarHBondContact OG-OD2 3.47Å | ||
| 201 | L | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 22.3 Ų | 22.3 | 30% | 0.304 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -34.9 | -178.9 | -63.8 | 179 | 0 | 0 | 0 | 112.1 | G203 D296 S307 R308 E322 P325 | L201-G203 VanDerWaalsContact C-N 3.25Å; L201-G203 PolarHBondContact O-N 3.03Å; L201-D296 PolarHBondContact N-OD2 2.94Å; L201-S307 WeakPolarHBondContact CB-OG 3.46Å; L201-R308 HydrophobicContact CD1-CB 4.41Å; L201-R308 HydrophobicContact CD1-CG 3.81Å; L201-E322 WeakPolarHBondContact CD2-O 3.5Å; L201-P325 HydrophobicContact CD2-CG 4.31Å |
| 202 | D | 98.3 | Very high | 98.6 | Very high | 63 Ų | 63 | 22.3 Ų | 22.3 | 34% | 0.337 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.8 | 175.4 | -58.1 | -20.6 | 0 | 0 | 0 | 113 | S200 D296 R300 S307 | S200-D202 VanDerWaalsContact C-N 3.3Å; S200-D202 PolarHBondContact O-N 3.2Å; D202-D296 HydrophobicContact CB-CB 4.36Å; D202-D296 WeakPolarHBondContact CB-OD1 3.15Å; D202-D296 VanDerWaalsContact CG-CG 3.5Å; D202-D296 PolarHBondContact N-OD2 2.86Å; D202-D296 WeakPolarHBondContact OD2-CB 3.43Å; D202-R300 IonicContact OD1-CZ 3.69Å; D202-R300 IonicContact OD1-NE 2.67Å; D202-R300 IonicContact OD1-NH2 3.74Å; D202-R300 PolarHBondContact OD1-NH2 2.85Å; D202-R300 IonicContact OD2-CZ 3.43Å; D202-R300 IonicContact OD2-NE 2.94Å; D202-R300 PolarHBondContact OD2-NE 3.47Å; D202-R300 IonicContact OD2-NH2 2.57Å; D202-R300 PolarHBondContact OD2-NH2 3.1Å; D202-S307 WeakPolarHBondContact OD1-CB 2.91Å; D202-S307 PolarHBondContact OD1-OG 3.47Å |
| 203 | G | 98.3 | Very high | 98.5 | Very high | 47 Ų | 47 | 22.1 Ų | 22.1 | 49% | 0.485 | 12% | 0.12 | S | C | . | . | S | Bend | trans | 81.9 | 9.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S200 L201 | S200-G203 PolarHBondContact O-N 3.04Å; L201-G203 VanDerWaalsContact C-N 3.25Å; L201-G203 PolarHBondContact O-N 3.03Å |
| 204 | N | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 21.8 Ų | 21.8 | 20% | 0.198 | 12% | 0.119 | C | C | . | . | trans | -71.1 | 146.9 | 173.6 | -64.6 | -62.1 | 0 | 0 | 0 | 110.6 | Y161 N199 S200 V206 P295 D296 | Y161-N204 HydrophobicContact CE1-CB 4.17Å; Y161-N204 HydrophobicContact CE2-CB 4.48Å; N199-N204 CarbonylContact C-O 3.06Å; N199-N204 WeakPolarHBondContact CA-O 3.49Å; S200-N204 PolarHBondContact N-O 2.94Å; S200-N204 WeakPolarHBondContact OG-CA 3.4Å; S200-N204 WeakPolarHBondContact OG-CB 3.49Å; S200-N204 PolarHBondContact OG-N 3.29Å; S200-N204 PolarHBondContact OG-O 3.18Å; N204-V206 PolarHBondContact O-N 3.24Å; N204-P295 HydrophobicContact CB-CB 3.86Å; N204-P295 HydrophobicContact CB-CG 3.9Å; N204-D296 PolarHBondContact ND2-OD1 3.34Å | ||
| 205 | R | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 21.4 Ų | 21.4 | 34% | 0.343 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 129.1 | 176.3 | -60.9 | -179.3 | 69 | 102.9 | -13.4 | 110.2 | Y161 L196 D207 | Y161-R205 WeakPolarHBondContact CE2-O 3.36Å; Y161-R205 WeakPolarHBondContact OH-CA 3.35Å; Y161-R205 WeakPolarHBondContact OH-CB 3.33Å; Y161-R205 PolarHBondContact OH-N 3.01Å; Y161-R205 PolarHBondContact OH-O 3.4Å; Y161-R205 VanDerWaalsContact OH-O 3.06Å; L196-R205 HydrophobicContact CD1-CB 3.64Å; L196-R205 HydrophobicContact CD1-CG 3.76Å; R205-D207 IonicContact NE-OD1 3.96Å |
| 206 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 111.5 | 160.6 | -176.9 | 0 | 0 | 0 | 0 | 106.3 | L197 C198 N204 I290 P295 | L197-V206 VanDerWaalsContact CB-O 3.22Å; L197-V206 WeakPolarHBondContact CB-O 3.38Å; L197-V206 HydrophobicContact CD2-CG1 4.36Å; L197-V206 PolarHBondContact N-O 3.35Å; C198-V206 WeakPolarHBondContact O-CB 3.22Å; C198-V206 PolarHBondContact O-N 2.93Å; N204-V206 PolarHBondContact O-N 3.24Å; V206-I290 HydrophobicContact CG1-CG2 4.08Å; V206-P295 HydrophobicContact CG2-CG 4.03Å |
| 207 | D | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 144.1 | -177.3 | -68 | -74.7 | 0 | 0 | 0 | 111.9 | Q165 L168 R194 E195 R205 P291 | Q165-D207 PolarHBondContact NE2-OD2 3.26Å; Q165-D207 PolarHBondContact OE1-OD2 2.85Å; L168-D207 HydrophobicContact CD1-CB 4.09Å; R194-D207 IonicContact CZ-OD1 2.93Å; R194-D207 IonicContact CZ-OD2 3.68Å; R194-D207 IonicContact NE-OD1 3.52Å; R194-D207 PolarHBondContact NE-OD1 3.37Å; R194-D207 IonicContact NE-OD2 2.77Å; R194-D207 VanDerWaalsContact NH2-CG 3.34Å; R194-D207 IonicContact NH2-OD1 3.67Å; R194-D207 PolarHBondContact NH2-OD1 3.15Å; R194-D207 IonicContact NH2-OD2 3.65Å; R194-D207 PolarHBondContact NH2-OD2 2.98Å; E195-D207 WeakPolarHBondContact O-CA 3.21Å; R205-D207 IonicContact NE-OD1 3.96Å; D207-P291 WeakPolarHBondContact O-CD 3.38Å |
| 208 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130 | 164.9 | 174.9 | 68.8 | 0 | 0 | 0 | 109.2 | R194 E195 L197 F229 K288 I290 L333 | R194-L208 WeakPolarHBondContact CA-O 3.23Å; E195-L208 HydrophobicContact CG-CB 4.16Å; E195-L208 HydrophobicContact CG-CD2 4.38Å; E195-L208 PolarHBondContact N-O 2.71Å; E195-L208 PolarHBondContact O-N 3.49Å; L197-L208 HydrophobicContact CB-CB 4.02Å; L197-L208 HydrophobicContact CD2-CB 4.44Å; L208-F229 HydrophobicContact CD2-CE1 3.99Å; L208-F229 HydrophobicContact CD2-CZ 4.28Å; L208-K288 HydrophobicContact CD1-CB 4.22Å; L208-K288 HydrophobicContact CD1-CD 4.28Å; L208-K288 HydrophobicContact CD2-CD 4.31Å; L208-I290 HydrophobicContact CD1-CG1 4.1Å; L208-L333 HydrophobicContact CD1-CD1 4.01Å; L208-L333 HydrophobicContact CD2-CD1 3.8Å; L208-L333 HydrophobicContact CD2-CD2 4.27Å; L208-L333 HydrophobicContact CG-CD1 4.48Å |
| 209 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.7 | 168.3 | -44.5 | 179.2 | 0 | 0 | 0 | 109.5 | L168 Y192 H193 R194 V211 F263 L267 K288 L289 P291 | L168-L209 HydrophobicContact CD2-CD1 3.76Å; L168-L209 HydrophobicContact CD2-CD2 3.99Å; L168-L209 HydrophobicContact CD2-CG 4.41Å; Y192-L209 HydrophobicContact CE2-CD1 4.46Å; Y192-L209 HydrophobicContact CE2-CD2 4.31Å; H193-L209 CarbonylContact O-C 3.45Å; H193-L209 WeakPolarHBondContact O-CA 3.44Å; R194-L209 HydrophobicContact CB-CD2 3.78Å; R194-L209 HydrophobicContact CG-CD2 3.71Å; L209-V211 HydrophobicContact CB-CG2 4.49Å; L209-F263 HydrophobicContact CD1-CE1 4.46Å; L209-F263 HydrophobicContact CD1-CZ 4.42Å; L209-L267 HydrophobicContact CD1-CD1 4.18Å; L209-L267 HydrophobicContact CD1-CD2 3.75Å; L209-K288 WeakPolarHBondContact O-CA 3.44Å; L209-L289 HydrophobicContact CB-CB 4.17Å; L209-L289 PolarHBondContact N-O 2.98Å; L209-L289 PolarHBondContact O-N 2.92Å; L209-P291 HydrophobicContact CD1-CG 4.01Å; L209-P291 HydrophobicContact CG-CG 4.16Å |
| 210 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.5 | 166.8 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | Y191 H193 P237 V286 F287 K288 | Y191-T210 HydrophobicContact CE1-CG2 4.24Å; H193-T210 PolarHBondContact N-O 2.89Å; H193-T210 PolarHBondContact O-N 2.82Å; T210-P237 HydrophobicContact CG2-CB 4.22Å; T210-P237 HydrophobicContact CG2-CG 4.49Å; T210-V286 HydrophobicContact CG2-CG1 3.74Å; T210-F287 VanDerWaalsContact CA-O 3.31Å; T210-F287 WeakPolarHBondContact CA-O 3.28Å; T210-K288 HydrophobicContact CG2-CD 4.41Å; T210-K288 PolarHBondContact OG1-NZ 3.39Å |
| 211 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.4 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | Y191 Y192 L209 L267 I270 L271 F287 L289 | Y191-V211 CarbonylContact O-C 3.59Å; Y191-V211 VanDerWaalsContact O-CA 3.31Å; Y191-V211 WeakPolarHBondContact O-CA 3.3Å; Y192-V211 HydrophobicContact CD2-CG2 3.9Å; L209-V211 HydrophobicContact CB-CG2 4.49Å; V211-L267 HydrophobicContact CG2-CD1 4.24Å; V211-I270 HydrophobicContact CB-CD1 3.92Å; V211-I270 HydrophobicContact CG1-CD1 3.82Å; V211-I270 HydrophobicContact CG1-CG1 4.38Å; V211-I270 HydrophobicContact CG2-CD1 4.41Å; V211-L271 HydrophobicContact CG1-CD2 3.68Å; V211-L271 HydrophobicContact CG1-CG 4.49Å; V211-L271 HydrophobicContact CG2-CD2 4.37Å; V211-F287 HydrophobicContact CB-CB 4.13Å; V211-F287 PolarHBondContact N-O 3.14Å; V211-F287 WeakPolarHBondContact O-CB 3.28Å; V211-F287 VanDerWaalsContact O-CD2 3.28Å; V211-F287 WeakPolarHBondContact O-CD2 3.31Å; V211-F287 PolarHBondContact O-N 3.2Å; V211-L289 HydrophobicContact CG2-CD1 4.33Å |
| 212 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | -160.1 | 172.7 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | Y191 F240 K243 R282 F285 | Y191-T212 HydrophobicContact CD1-CG2 4.05Å; Y191-T212 HydrophobicContact CG-CG2 4.16Å; Y191-T212 PolarHBondContact N-O 3.12Å; Y191-T212 PolarHBondContact O-N 3.39Å; T212-F240 HydrophobicContact CG2-CD1 4.01Å; T212-F240 HydrophobicContact CG2-CD2 3.88Å; T212-F240 HydrophobicContact CG2-CE1 3.63Å; T212-F240 HydrophobicContact CG2-CE2 3.52Å; T212-F240 HydrophobicContact CG2-CG 4.12Å; T212-F240 HydrophobicContact CG2-CZ 3.39Å; T212-K243 PolarHBondContact OG1-NZ 2.92Å; T212-R282 WeakPolarHBondContact O-CD 3.45Å; T212-R282 PolarHBondContact OG1-O 2.78Å; T212-F285 WeakPolarHBondContact CB-O 3.17Å; T212-F285 PolarHBondContact OG1-O 2.84Å |
| 213 | N | 97.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 164.1 | 164.8 | 66.7 | 26.3 | 0 | 0 | 0 | 110.8 | P187 T189 A215 F240 K243 R282 S283 | P187-N213 WeakPolarHBondContact O-CB 3.45Å; T189-N213 CarbonylContact O-C 3.46Å; T189-N213 WeakPolarHBondContact O-CA 3.27Å; T189-N213 WeakPolarHBondContact O-CB 3.43Å; N213-A215 PolarHBondContact O-N 3.27Å; N213-A215 VanDerWaalsContact O-N 3.12Å; N213-A215 VanDerWaalsContact OD1-CB 3.24Å; N213-A215 WeakPolarHBondContact OD1-CB 3.08Å; N213-A215 PolarHBondContact OD1-N 2.92Å; N213-F240 WeakPolarHBondContact O-CE1 3.33Å; N213-K243 PolarHBondContact O-NZ 3.34Å; N213-K243 VanDerWaalsContact O-NZ 3.14Å; N213-K243 PolarHBondContact OD1-NZ 3.25Å; N213-R282 HydrophobicContact CB-CB 3.98Å; N213-R282 PolarHBondContact OD1-O 2.73Å; N213-S283 WeakPolarHBondContact ND2-CA 3.49Å; N213-S283 PolarHBondContact ND2-N 3.3Å; N213-S283 PolarHBondContact ND2-OG 3.08Å |
| 214 | C | 97.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.3 | -4.8 | -176.9 | -61.7 | 0 | 0 | 0 | 0 | 114.1 | P187 T189 G216 M217 | P187-C214 PolarHBondContact O-N 2.85Å; T189-C214 PolarHBondContact O-N 2.87Å; T189-C214 PolarHBondContact O-SG 3.45Å; C214-G216 PolarHBondContact O-N 2.94Å; C214-M217 HydrophobicContact CB-CE 4.38Å; C214-M217 VanDerWaalsContact O-CB 3.27Å; C214-M217 WeakPolarHBondContact O-CB 3.38Å; C214-M217 PolarHBondContact O-N 2.87Å |
| 215 | A | 95.8 | Very high | 97 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 130.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P187 N213 M217 K243 | P187-A215 HydrophobicContact CB-CB 3.95Å; P187-A215 PolarHBondContact O-N 2.85Å; N213-A215 PolarHBondContact O-N 3.27Å; N213-A215 VanDerWaalsContact O-N 3.12Å; N213-A215 VanDerWaalsContact OD1-CB 3.24Å; N213-A215 WeakPolarHBondContact OD1-CB 3.08Å; N213-A215 PolarHBondContact OD1-N 2.92Å; A215-M217 VanDerWaalsContact C-N 3.26Å; A215-M217 PolarHBondContact O-N 2.91Å; A215-K243 WeakPolarHBondContact O-CE 3.31Å; A215-K243 PolarHBondContact O-NZ 2.61Å |
| 216 | G | 93.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 19.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | C214 | C214-G216 PolarHBondContact O-N 2.94Š|
| 217 | M | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | trans | -73.1 | 131.4 | 177.3 | -165.9 | 163.2 | 65.5 | 0 | 0 | 111.1 | L181 S182 Y191 C214 A215 H238 F240 | L181-M217 HydrophobicContact CB-CE 4.32Å; S182-M217 VanDerWaalsContact CA-CE 3.48Å; S182-M217 WeakPolarHBondContact O-CE 3.19Å; Y191-M217 HydrophobicContact CD2-SD 3.63Å; Y191-M217 HydrophobicContact CE2-SD 3.67Å; C214-M217 HydrophobicContact CB-CE 4.38Å; C214-M217 VanDerWaalsContact O-CB 3.27Å; C214-M217 WeakPolarHBondContact O-CB 3.38Å; C214-M217 PolarHBondContact O-N 2.87Å; A215-M217 VanDerWaalsContact C-N 3.26Å; A215-M217 PolarHBondContact O-N 2.91Å; M217-H238 HydrophobicContact CG-CB 3.55Å; M217-H238 HydrophobicContact SD-CB 3.75Å; M217-F240 HydrophobicContact CB-CD1 4.09Å; M217-F240 HydrophobicContact CB-CE1 3.48Å; M217-F240 VanDerWaalsContact CB-CE1 3.48Å; M217-F240 HydrophobicContact CB-CZ 4.03Å; M217-F240 HydrophobicContact CG-CD1 4.42Å; M217-F240 HydrophobicContact CG-CE1 3.64Å; M217-F240 HydrophobicContact CG-CE2 4.43Å; M217-F240 HydrophobicContact CG-CZ 3.64Å; M217-F240 HydrophobicContact SD-CE1 4.07Å; M217-F240 HydrophobicContact SD-CZ 3.68Å | ||
| 218 | W | 95 | Very high | 96.7 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | trans | -97.1 | 152.5 | 173 | -75 | 24.6 | 0 | 0 | 0 | 110.7 | E220 H238 R239 P241 | W218-E220 PolarHBondContact O-N 2.91Å; W218-H238 PolarHBondContact O-ND1 2.95Å; W218-R239 HydrophobicContact CB-CB 4.36Å; W218-R239 PolarHBondContact N-O 3.39Å; W218-P241 HydrophobicContact CD2-CG 3.66Å; W218-P241 HydrophobicContact CE3-CG 4.2Å; W218-P241 HydrophobicContact CG-CG 4.13Å; W218-P241 HydrophobicContact CH2-CG 4.01Å; W218-P241 HydrophobicContact CZ2-CB 4.48Å; W218-P241 HydrophobicContact CZ2-CG 3.44Å; W218-P241 VanDerWaalsContact CZ2-CG 3.44Å; W218-P241 HydrophobicContact CZ3-CG 4.36Å | ||
| 219 | D | 94.6 | Very high | 96.7 | Very high | 111 Ų | 111 | 44.6 Ų | 44.6 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -62.8 | -29.3 | 172.1 | -76.5 | -53.9 | 0 | 0 | 0 | 112.4 | P183 R221 | P183-D219 WeakPolarHBondContact CD-OD1 3.3Å; P183-D219 HydrophobicContact CG-CB 4.49Å; P183-D219 VanDerWaalsContact CG-OD1 3.3Å; P183-D219 WeakPolarHBondContact CG-OD1 3.19Å; D219-R221 PolarHBondContact O-NH1 3.29Å |
| 220 | E | 95.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 140.4 | 175.8 | -66 | -176.6 | -176.7 | 0 | 0 | 112.4 | W218 H238 R239 | W218-E220 PolarHBondContact O-N 2.91Å; E220-H238 WeakPolarHBondContact O-CA 3.14Å; E220-R239 HydrophobicContact CB-CG 4.4Å; E220-R239 PolarHBondContact O-N 3.33Å; E220-R239 IonicContact OE2-CZ 3.9Å; E220-R239 IonicContact OE2-NH1 2.67Å; E220-R239 PolarHBondContact OE2-NH1 2.87Å |
| 221 | R | 95.5 | Very high | 96.5 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 155.4 | 172.3 | -57.7 | -51.5 | -162.2 | -89.2 | 4.8 | 110.9 | D219 R236 P237 H238 | D219-R221 PolarHBondContact O-NH1 3.29Å; R221-R236 HydrophobicContact CB-CB 4.3Å; R221-R236 VanDerWaalsContact CD-O 3.23Å; R221-R236 WeakPolarHBondContact CD-O 3.27Å; R221-P237 CarbonylContact C-O 3.57Å; R221-P237 WeakPolarHBondContact CA-O 3.48Å; R221-H238 VanDerWaalsContact CZ-CD2 3.44Å; R221-H238 PolarHBondContact NE-CD2 3.27Å; R221-H238 PolarHBondContact NH1-CE1 3.25Å; R221-H238 PolarHBondContact NH1-ND1 2.99Å; R221-H238 PolarHBondContact NH1-NE2 2.78Å; R221-H238 PolarHBondContact NH2-CE1 2.99Å; R221-H238 PolarHBondContact NH2-NE2 3.09Å |
| 222 | E | 96.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143.1 | 171 | -70.7 | -179.2 | -167 | 0 | 0 | 111.2 | R236 P237 R239 K288 H337 | E222-R236 HydrophobicContact CB-CB 4.41Å; E222-R236 WeakPolarHBondContact O-CB 3.48Å; E222-R236 WeakPolarHBondContact O-CG 3.43Å; E222-R236 IonicContact OE2-NH2 3.96Å; E222-R236 PolarHBondContact OE2-NH2 2.81Å; E222-P237 HydrophobicContact CG-CG 4.38Å; E222-P237 PolarHBondContact N-O 3.48Å; E222-R239 HydrophobicContact CG-CG 4.05Å; E222-K288 WeakPolarHBondContact OE1-CE 3.35Å; E222-K288 IonicContact OE1-NZ 3.11Å; E222-K288 PolarHBondContact OE1-NZ 3.42Å; E222-K288 IonicContact OE2-NZ 2.86Å; E222-K288 PolarHBondContact OE2-NZ 3.42Å; E222-H337 IonicContact OE1-CE1 3.65Å; E222-H337 IonicContact OE2-CE1 3.67Å; E222-H337 IonicContact OE2-NE2 3.88Å |
| 223 | T | 95.8 | Very high | 96.1 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 143.3 | -179.4 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | L225 R236 Y336 | T223-L225 HydrophobicContact CG2-CD2 3.85Å; T223-L225 PolarHBondContact O-N 3.04Å; T223-R236 PolarHBondContact O-NH1 3.07Å; T223-Y336 HydrophobicContact CG2-CD2 4.15Å; T223-Y336 HydrophobicContact CG2-CE2 3.45Å; T223-Y336 VanDerWaalsContact CG2-CE2 3.45Å |
| 224 | R | 97 | Very high | 95.8 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | trans | -72.5 | 115.5 | 170.5 | -69 | -171.2 | -173.4 | -83.6 | -3.2 | 109.2 | F229 D231 T232 T234 R236 | R224-F229 HydrophobicContact CG-CB 4.49Å; R224-F229 PolarHBondContact NH1-O 3.28Å; R224-D231 PolarHBondContact NH1-O 3.07Å; R224-D231 PolarHBondContact NH2-O 3.29Å; R224-T232 PolarHBondContact NH2-O 3.41Å; R224-T234 PolarHBondContact NH2-O 2.98Å; R224-R236 HydrophobicContact CG-CG 3.58Å | ||
| 225 | L | 97.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | trans | -75.5 | 150.2 | 178.5 | -60.3 | 176.6 | 0 | 0 | 0 | 110.7 | T223 K227 L228 F229 A332 L333 Y336 | T223-L225 HydrophobicContact CG2-CD2 3.85Å; T223-L225 PolarHBondContact O-N 3.04Å; L225-K227 PolarHBondContact O-N 2.94Å; L225-L228 HydrophobicContact CB-CB 4.3Å; L225-L228 HydrophobicContact CB-CD1 4.03Å; L225-L228 HydrophobicContact CB-CG 4.38Å; L225-L228 HydrophobicContact CD1-CD1 4.17Å; L225-L228 PolarHBondContact O-N 3.47Å; L225-L228 VanDerWaalsContact O-N 3.1Å; L225-F229 HydrophobicContact CB-CE2 4.31Å; L225-F229 HydrophobicContact CD1-CE2 4.44Å; L225-F229 HydrophobicContact CG-CE2 4.34Å; L225-A332 HydrophobicContact CD1-CB 4.33Å; L225-L333 HydrophobicContact CD1-CD2 4.11Å; L225-Y336 HydrophobicContact CD1-CG 4.19Å; L225-Y336 HydrophobicContact CD2-CD2 3.69Å; L225-Y336 HydrophobicContact CD2-CE2 4.34Å; L225-Y336 HydrophobicContact CD2-CG 3.96Å | ||
| 226 | P | 96.1 | Very high | 95.7 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 134.9 | 176.6 | -27.5 | 35.1 | 0 | 0 | 0 | 112 | L228 | P226-L228 PolarHBondContact O-N 3.43Å; P226-L228 VanDerWaalsContact O-N 3.07Å |
| 227 | K | 96.2 | Very high | 95.8 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 3.8 | 179 | -53.3 | -71.1 | -173.9 | 148.9 | 0 | 115.9 | L225 P321 E322 Y328 | L225-K227 PolarHBondContact O-N 2.94Å; K227-P321 HydrophobicContact CB-CB 4.28Å; K227-P321 HydrophobicContact CG-CB 4.28Å; K227-E322 IonicContact NZ-OE1 3.69Å; K227-E322 PolarHBondContact NZ-OE1 2.73Å; K227-E322 VanDerWaalsContact NZ-OE1 3.11Å; K227-Y328 HydrophobicContact CB-CE1 4.22Å |
| 228 | L | 98.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 62.8 Ų | 62.8 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | trans | -114 | 163.2 | 179.5 | -56.8 | -173.4 | 0 | 0 | 0 | 111.5 | L197 C198 L225 P226 Y328 A329 A332 | L197-L228 HydrophobicContact CD1-CD1 4.15Å; C198-L228 HydrophobicContact CB-CD2 4.2Å; L225-L228 HydrophobicContact CB-CB 4.3Å; L225-L228 HydrophobicContact CB-CD1 4.03Å; L225-L228 HydrophobicContact CB-CG 4.38Å; L225-L228 HydrophobicContact CD1-CD1 4.17Å; L225-L228 PolarHBondContact O-N 3.47Å; L225-L228 VanDerWaalsContact O-N 3.1Å; P226-L228 PolarHBondContact O-N 3.43Å; P226-L228 VanDerWaalsContact O-N 3.07Å; L228-Y328 HydrophobicContact CD2-CD1 4.09Å; L228-Y328 HydrophobicContact CD2-CE1 4.3Å; L228-Y328 HydrophobicContact CG-CE1 4.41Å; L228-A329 HydrophobicContact CD1-CB 4.01Å; L228-A329 HydrophobicContact CD2-CB 3.37Å; L228-A329 HydrophobicContact CG-CB 4.36Å; L228-A332 HydrophobicContact CD1-CB 3.95Å | ||
| 229 | F | 98.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | trans | 56 | 57.8 | 177.5 | -44.4 | -74.3 | 0 | 0 | 0 | 112.9 | E195 L196 L197 L208 R224 L225 D231 R236 L333 | E195-F229 HydrophobicContact CG-CD1 4.21Å; E195-F229 HydrophobicContact CG-CE1 4.16Å; E195-F229 WeakPolarHBondContact OE2-CD1 3.25Å; L196-F229 WeakPolarHBondContact O-CA 3.4Å; L197-F229 HydrophobicContact CD1-CD1 4.35Å; L197-F229 HydrophobicContact CD1-CE1 3.52Å; L197-F229 HydrophobicContact CD1-CE2 4.34Å; L197-F229 HydrophobicContact CD1-CZ 3.5Å; L197-F229 PolarHBondContact O-N 3.1Å; L208-F229 HydrophobicContact CD2-CE1 3.99Å; L208-F229 HydrophobicContact CD2-CZ 4.28Å; R224-F229 HydrophobicContact CG-CB 4.49Å; R224-F229 PolarHBondContact NH1-O 3.28Å; L225-F229 HydrophobicContact CB-CE2 4.31Å; L225-F229 HydrophobicContact CD1-CE2 4.44Å; L225-F229 HydrophobicContact CG-CE2 4.34Å; F229-D231 PolarHBondContact O-N 3.23Å; F229-R236 VanDerWaalsContact CD2-NH1 3.29Å; F229-R236 VanDerWaalsContact CE1-CZ 3.49Å; F229-L333 HydrophobicContact CE2-CD2 4.4Å; F229-L333 HydrophobicContact CZ-CD2 3.77Å; F229-L333 HydrophobicContact CZ-CG 4.49Å | ||
| 230 | P | 97.3 | Very high | 96 | Very high | 68 Ų | 68 | 55 Ų | 55 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | trans | -67.4 | -18.8 | -174 | 29.4 | -36.7 | 0 | 0 | 0 | 113.3 | L196 T232 | L196-P230 HydrophobicContact CD2-CG 3.64Å; L196-P230 HydrophobicContact CG-CG 3.92Å; P230-T232 PolarHBondContact O-N 3.45Å | ||
| 231 | D | 96 | Very high | 95.8 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | trans | -77.1 | 101.6 | 170.7 | 179.5 | 9.3 | 0 | 0 | 0 | 110.2 | L196 R224 F229 N233 T234 | L196-D231 HydrophobicContact CB-CB 4.47Å; R224-D231 PolarHBondContact NH1-O 3.07Å; R224-D231 PolarHBondContact NH2-O 3.29Å; F229-D231 PolarHBondContact O-N 3.23Å; D231-N233 WeakPolarHBondContact OD1-CB 3.45Å; D231-N233 PolarHBondContact OD1-N 3.23Å; D231-T234 PolarHBondContact OD1-N 3.32Å; D231-T234 VanDerWaalsContact OD2-CB 3.3Å; D231-T234 WeakPolarHBondContact OD2-CB 3.42Å; D231-T234 PolarHBondContact OD2-OG1 2.88Å | ||
| 232 | T | 94.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 51.8 Ų | 51.8 | 64% | 0.644 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -80.6 | -16 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | R224 P230 | R224-T232 PolarHBondContact NH2-O 3.41Å; P230-T232 PolarHBondContact O-N 3.45Å |
| 233 | N | 93.6 | Very high | 95.4 | Very high | 147 Ų | 147 | 52 Ų | 52 | 79% | 0.786 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -78.9 | -32.1 | -178.9 | -61.2 | -46.8 | 0 | 0 | 0 | 111.8 | D231 P235 | D231-N233 WeakPolarHBondContact OD1-CB 3.45Å; D231-N233 PolarHBondContact OD1-N 3.23Å; N233-P235 WeakPolarHBondContact O-CD 3.48Å |
| 234 | T | 91.2 | Very high | 95.5 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -83.2 | 116.5 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 109.6 | R224 D231 | R224-T234 PolarHBondContact NH2-O 2.98Å; D231-T234 PolarHBondContact OD1-N 3.32Å; D231-T234 VanDerWaalsContact OD2-CB 3.3Å; D231-T234 WeakPolarHBondContact OD2-CB 3.42Å; D231-T234 PolarHBondContact OD2-OG1 2.88Å |
| 235 | P | 94.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 143.2 | 176.4 | 27 | -33.9 | 0 | 0 | 0 | 110.6 | A179 H193 N233 | A179-P235 HydrophobicContact CB-CG 4.03Å; H193-P235 PolarHBondContact CE1-O 3.27Å; H193-P235 VanDerWaalsContact CE1-O 3.22Å; N233-P235 WeakPolarHBondContact O-CD 3.48Å |
| 236 | R | 96.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 3% | 0.034 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 156.8 | 171.6 | -67.2 | -56 | -49.8 | -67.4 | -1.2 | 110.5 | E195 R221 E222 T223 R224 F229 | E195-R236 VanDerWaalsContact CD-NE 3.32Å; E195-R236 IonicContact OE1-CZ 3.76Å; E195-R236 IonicContact OE1-NE 3.94Å; E195-R236 PolarHBondContact OE1-NE 3.39Å; E195-R236 IonicContact OE1-NH2 2.77Å; E195-R236 PolarHBondContact OE1-NH2 2.92Å; E195-R236 WeakPolarHBondContact OE2-CD 3.35Å; E195-R236 IonicContact OE2-CZ 3.85Å; E195-R236 IonicContact OE2-NE 2.74Å; E195-R236 PolarHBondContact OE2-NE 3.07Å; E195-R236 IonicContact OE2-NH2 3.79Å; R221-R236 HydrophobicContact CB-CB 4.3Å; R221-R236 VanDerWaalsContact CD-O 3.23Å; R221-R236 WeakPolarHBondContact CD-O 3.27Å; E222-R236 HydrophobicContact CB-CB 4.41Å; E222-R236 WeakPolarHBondContact O-CB 3.48Å; E222-R236 WeakPolarHBondContact O-CG 3.43Å; E222-R236 IonicContact OE2-NH2 3.96Å; E222-R236 PolarHBondContact OE2-NH2 2.81Å; T223-R236 PolarHBondContact O-NH1 3.07Å; R224-R236 HydrophobicContact CG-CG 3.58Å; F229-R236 VanDerWaalsContact CD2-NH1 3.29Å; F229-R236 VanDerWaalsContact CE1-CZ 3.49Å |
| 237 | P | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 153.9 | -179.7 | 23.1 | -30.2 | 0 | 0 | 0 | 112.2 | Y191 H193 E195 T210 R221 E222 | Y191-P237 HydrophobicContact CE1-CB 4.08Å; Y191-P237 WeakPolarHBondContact OH-CA 3.29Å; Y191-P237 WeakPolarHBondContact OH-CB 3.38Å; H193-P237 HydrophobicContact CB-CB 4.31Å; E195-P237 WeakPolarHBondContact OE1-CD 3.39Å; T210-P237 HydrophobicContact CG2-CB 4.22Å; T210-P237 HydrophobicContact CG2-CG 4.49Å; R221-P237 CarbonylContact C-O 3.57Å; R221-P237 WeakPolarHBondContact CA-O 3.48Å; E222-P237 HydrophobicContact CG-CG 4.38Å; E222-P237 PolarHBondContact N-O 3.48Å |
| 238 | H | 97.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -58.6 | 152.7 | 170.4 | -77.8 | -98.4 | 0 | 0 | 0 | 112 | L181 Y191 M217 W218 E220 R221 F240 | L181-H238 PolarHBondContact O-NE2 3.14Å; L181-H238 VanDerWaalsContact O-NE2 3.12Å; Y191-H238 HydrophobicContact CE2-CB 4.13Å; Y191-H238 AromaticContact CE2-CD2 3.79Å; Y191-H238 PolarHBondContact OH-N 3.08Å; M217-H238 HydrophobicContact CG-CB 3.55Å; M217-H238 HydrophobicContact SD-CB 3.75Å; W218-H238 PolarHBondContact O-ND1 2.95Å; E220-H238 WeakPolarHBondContact O-CA 3.14Å; R221-H238 VanDerWaalsContact CZ-CD2 3.44Å; R221-H238 PolarHBondContact NE-CD2 3.27Å; R221-H238 PolarHBondContact NH1-CE1 3.25Å; R221-H238 PolarHBondContact NH1-ND1 2.99Å; R221-H238 PolarHBondContact NH1-NE2 2.78Å; R221-H238 PolarHBondContact NH2-CE1 2.99Å; R221-H238 PolarHBondContact NH2-NE2 3.09Å; H238-F240 HydrophobicContact CB-CE2 4.17Å; H238-F240 HydrophobicContact CB-CZ 4.39Å; H238-F240 WeakPolarHBondContact O-CD2 3.4Å; H238-F240 VanDerWaalsContact O-CE2 3.27Å; H238-F240 WeakPolarHBondContact O-CE2 3.22Å |
| 239 | R | 96.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 21% | 0.211 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 148.7 | 175.2 | -63.9 | -178.6 | 69.1 | -169.1 | 2.5 | 111.8 | W218 E220 E222 | W218-R239 HydrophobicContact CB-CB 4.36Å; W218-R239 PolarHBondContact N-O 3.39Å; E220-R239 HydrophobicContact CB-CG 4.4Å; E220-R239 PolarHBondContact O-N 3.33Å; E220-R239 IonicContact OE2-CZ 3.9Å; E220-R239 IonicContact OE2-NH1 2.67Å; E220-R239 PolarHBondContact OE2-NH1 2.87Å; E222-R239 HydrophobicContact CG-CG 4.05Å |
| 240 | F | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | trans | -137.3 | 73.2 | 174.4 | -57.3 | -95.1 | 0 | 0 | 0 | 108.6 | Y191 T212 N213 M217 H238 D242 K243 V286 N341 | Y191-F240 HydrophobicContact CD1-CE2 4.12Å; Y191-F240 HydrophobicContact CD1-CZ 4.09Å; Y191-F240 AromaticContact CD2-CZ 3.87Å; Y191-F240 HydrophobicContact CD2-CZ 3.87Å; Y191-F240 HydrophobicContact CE1-CE2 4.17Å; Y191-F240 HydrophobicContact CE1-CZ 4.43Å; Y191-F240 HydrophobicContact CE2-CZ 4.23Å; Y191-F240 HydrophobicContact CG-CE2 4.3Å; Y191-F240 AromaticContact CG-CZ 3.8Å; Y191-F240 HydrophobicContact CG-CZ 3.8Å; T212-F240 HydrophobicContact CG2-CD1 4.01Å; T212-F240 HydrophobicContact CG2-CD2 3.88Å; T212-F240 HydrophobicContact CG2-CE1 3.63Å; T212-F240 HydrophobicContact CG2-CE2 3.52Å; T212-F240 HydrophobicContact CG2-CG 4.12Å; T212-F240 HydrophobicContact CG2-CZ 3.39Å; N213-F240 WeakPolarHBondContact O-CE1 3.33Å; M217-F240 HydrophobicContact CB-CD1 4.09Å; M217-F240 HydrophobicContact CB-CE1 3.48Å; M217-F240 VanDerWaalsContact CB-CE1 3.48Å; M217-F240 HydrophobicContact CB-CZ 4.03Å; M217-F240 HydrophobicContact CG-CD1 4.42Å; M217-F240 HydrophobicContact CG-CE1 3.64Å; M217-F240 HydrophobicContact CG-CE2 4.43Å; M217-F240 HydrophobicContact CG-CZ 3.64Å; M217-F240 HydrophobicContact SD-CE1 4.07Å; M217-F240 HydrophobicContact SD-CZ 3.68Å; H238-F240 HydrophobicContact CB-CE2 4.17Å; H238-F240 HydrophobicContact CB-CZ 4.39Å; H238-F240 WeakPolarHBondContact O-CD2 3.4Å; H238-F240 VanDerWaalsContact O-CE2 3.27Å; H238-F240 WeakPolarHBondContact O-CE2 3.22Å; F240-D242 VanDerWaalsContact C-N 3.26Å; F240-D242 PolarHBondContact O-N 2.87Å; F240-K243 HydrophobicContact CB-CB 4.34Å; F240-K243 HydrophobicContact CB-CD 4.23Å; F240-K243 HydrophobicContact CB-CG 4.48Å; F240-K243 PolarHBondContact O-N 3.07Å; F240-V286 HydrophobicContact CB-CG2 3.59Å; F240-V286 HydrophobicContact CD2-CG2 4.05Å; F240-V286 HydrophobicContact CG-CG2 4.05Å; F240-N341 PolarHBondContact O-ND2 3.17Å | ||
| 241 | P | 90.4 | Very high | 96 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.104 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -28.3 | -168 | 23 | -29.6 | 0 | 0 | 0 | 113.5 | W218 K243 | W218-P241 HydrophobicContact CD2-CG 3.66Å; W218-P241 HydrophobicContact CE3-CG 4.2Å; W218-P241 HydrophobicContact CG-CG 4.13Å; W218-P241 HydrophobicContact CH2-CG 4.01Å; W218-P241 HydrophobicContact CZ2-CB 4.48Å; W218-P241 HydrophobicContact CZ2-CG 3.44Å; W218-P241 VanDerWaalsContact CZ2-CG 3.44Å; W218-P241 HydrophobicContact CZ3-CG 4.36Å; P241-K243 PolarHBondContact O-N 3.17Å |
| 242 | D | 90.2 | Very high | 96.1 | Very high | 107 Ų | 107 | 30 Ų | 30 | 57% | 0.572 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.5 | -179.8 | -53.7 | -47.7 | 0 | 0 | 0 | 113.6 | F240 L343 | F240-D242 VanDerWaalsContact C-N 3.26Å; F240-D242 PolarHBondContact O-N 2.87Å; D242-L343 VanDerWaalsContact O-CD2 3.25Å; D242-L343 WeakPolarHBondContact O-CD2 3.19Å |
| 243 | K | 95.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.057 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -118.8 | 129.1 | 178.9 | -65.5 | -176.7 | -169.4 | 176.5 | 0 | 110.2 | T212 N213 A215 F240 P241 R282 S283 V286 N341 | T212-K243 PolarHBondContact OG1-NZ 2.92Å; N213-K243 PolarHBondContact O-NZ 3.34Å; N213-K243 VanDerWaalsContact O-NZ 3.14Å; N213-K243 PolarHBondContact OD1-NZ 3.25Å; A215-K243 WeakPolarHBondContact O-CE 3.31Å; A215-K243 PolarHBondContact O-NZ 2.61Å; F240-K243 HydrophobicContact CB-CB 4.34Å; F240-K243 HydrophobicContact CB-CD 4.23Å; F240-K243 HydrophobicContact CB-CG 4.48Å; F240-K243 PolarHBondContact O-N 3.07Å; P241-K243 PolarHBondContact O-N 3.17Å; K243-R282 PolarHBondContact NZ-O 2.81Å; K243-S283 VanDerWaalsContact CE-O 3.27Å; K243-S283 WeakPolarHBondContact CE-O 2.96Å; K243-V286 HydrophobicContact CB-CG2 3.87Å; K243-V286 HydrophobicContact CD-CG2 4.35Å; K243-N341 PolarHBondContact O-ND2 3.11Å |
| 244 | R | 96.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 18.1 Ų | 18.1 | 25% | 0.249 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 159.4 | 171.1 | -65.4 | -176.8 | 76.5 | -170.2 | 6.3 | 110.8 | F285 V286 L343 G430 G431 V432 A433 | R244-F285 VanDerWaalsContact O-CA 3.29Å; R244-F285 WeakPolarHBondContact O-CA 3.12Å; R244-V286 PolarHBondContact O-N 2.95Å; R244-L343 HydrophobicContact CG-CD1 3.93Å; R244-L343 HydrophobicContact CG-CD2 4.31Å; R244-L343 HydrophobicContact CG-CG 3.87Å; R244-G430 VanDerWaalsContact CZ-O 3.3Å; R244-G430 PolarHBondContact NE-O 3.38Å; R244-G430 PolarHBondContact NH2-O 3.37Å; R244-G431 CarbonylContact C-O 3.51Å; R244-G431 WeakPolarHBondContact CA-O 3.34Å; R244-G431 VanDerWaalsContact CB-O 3.3Å; R244-G431 WeakPolarHBondContact CB-O 3.2Å; R244-V432 PolarHBondContact NH2-O 2.96Å; R244-A433 HydrophobicContact CB-CB 3.91Å |
| 245 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F247 V286 K288 H337 N341 G431 A433 Y434 | V245-F247 HydrophobicContact CG1-CB 4.29Å; V245-V286 VanDerWaalsContact CA-O 3.29Å; V245-V286 WeakPolarHBondContact CA-O 3.2Å; V245-V286 HydrophobicContact CG2-CB 4.32Å; V245-K288 HydrophobicContact CG1-CB 3.97Å; V245-K288 HydrophobicContact CG1-CG 3.69Å; V245-H337 HydrophobicContact CB-CB 4.22Å; V245-H337 HydrophobicContact CG2-CB 3.72Å; V245-N341 HydrophobicContact CG2-CB 4.38Å; V245-G431 PolarHBondContact N-O 2.93Å; V245-A433 PolarHBondContact O-N 3.16Å; V245-Y434 PolarHBondContact O-N 3.34Å |
| 246 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111 | 161.2 | -166.3 | -57.7 | 0 | 0 | 0 | 107.8 | L248 F266 F285 V286 F287 K288 Y434 V436 Y466 V567 A571 | F246-L248 HydrophobicContact CE1-CB 4.5Å; F246-F266 HydrophobicContact CD1-CE2 4.43Å; F246-F266 AromaticContact CD1-CZ 3.87Å; F246-F266 HydrophobicContact CD1-CZ 3.87Å; F246-F266 AromaticContact CE1-CE2 3.85Å; F246-F266 HydrophobicContact CE1-CE2 3.85Å; F246-F266 AromaticContact CE1-CZ 3.75Å; F246-F266 HydrophobicContact CE1-CZ 3.75Å; F246-F266 HydrophobicContact CE2-CE2 4.42Å; F246-F266 HydrophobicContact CE2-CZ 4.46Å; F246-F266 HydrophobicContact CG-CZ 4.33Å; F246-F266 AromaticContact CZ-CE2 3.85Å; F246-F266 HydrophobicContact CZ-CE2 3.85Å; F246-F266 HydrophobicContact CZ-CZ 4.07Å; F246-F285 HydrophobicContact CB-CB 4.28Å; F246-F285 HydrophobicContact CB-CD1 4.36Å; F246-F285 HydrophobicContact CB-CG 4.29Å; F246-V286 PolarHBondContact N-O 3.12Å; F246-F287 HydrophobicContact CB-CD1 3.64Å; F246-F287 HydrophobicContact CB-CE1 3.75Å; F246-F287 HydrophobicContact CD1-CD1 4.36Å; F246-F287 HydrophobicContact CD2-CE1 4.21Å; F246-F287 HydrophobicContact CG-CD1 4.02Å; F246-F287 AromaticContact CG-CE1 3.93Å; F246-F287 HydrophobicContact CG-CE1 3.93Å; F246-F287 WeakPolarHBondContact O-CA 3.22Å; F246-K288 PolarHBondContact O-N 2.88Å; F246-Y434 AromaticContact CD2-CD2 3.41Å; F246-Y434 HydrophobicContact CD2-CD2 3.41Å; F246-Y434 VanDerWaalsContact CD2-CD2 3.41Å; F246-Y434 HydrophobicContact CD2-CE2 4.23Å; F246-Y434 AromaticContact CD2-CG 3.67Å; F246-Y434 HydrophobicContact CD2-CG 3.67Å; F246-Y434 HydrophobicContact CE2-CD1 4.06Å; F246-Y434 AromaticContact CE2-CD2 3.64Å; F246-Y434 HydrophobicContact CE2-CD2 3.64Å; F246-Y434 HydrophobicContact CE2-CE2 4.32Å; F246-Y434 AromaticContact CE2-CG 3.5Å; F246-Y434 HydrophobicContact CE2-CG 3.5Å; F246-Y434 HydrophobicContact CG-CD2 4.27Å; F246-Y434 HydrophobicContact CG-CG 4.39Å; F246-Y434 HydrophobicContact CZ-CG 4.1Å; F246-V436 HydrophobicContact CE1-CG2 4.17Å; F246-V436 HydrophobicContact CZ-CG2 4.14Å; F246-Y466 WeakPolarHBondContact CZ-OH 3.3Å; F246-V567 HydrophobicContact CZ-CG1 4.07Å; F246-A571 HydrophobicContact CE2-CB 4.17Å |
| 247 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.7 | -178.8 | -161.5 | -75.8 | 0 | 0 | 0 | 111 | V245 K288 I290 A330 L333 L334 Y434 Y435 V436 | V245-F247 HydrophobicContact CG1-CB 4.29Å; F247-K288 WeakPolarHBondContact CA-O 3.44Å; F247-K288 HydrophobicContact CD2-CB 3.73Å; F247-K288 HydrophobicContact CE2-CB 4.14Å; F247-K288 HydrophobicContact CG-CB 4.47Å; F247-I290 HydrophobicContact CE1-CD1 4.17Å; F247-I290 HydrophobicContact CZ-CD1 3.65Å; F247-I290 HydrophobicContact CZ-CG1 4.23Å; F247-A330 HydrophobicContact CE1-CB 4.4Å; F247-A330 HydrophobicContact CZ-CB 4.06Å; F247-L333 HydrophobicContact CE2-CB 3.9Å; F247-L333 HydrophobicContact CE2-CD1 4.15Å; F247-L334 HydrophobicContact CB-CD2 3.73Å; F247-L334 HydrophobicContact CD1-CD1 4.45Å; F247-L334 HydrophobicContact CD1-CD2 4.23Å; F247-L334 HydrophobicContact CD1-CG 4.43Å; F247-L334 HydrophobicContact CD2-CD2 3.78Å; F247-L334 HydrophobicContact CD2-CG 3.93Å; F247-L334 HydrophobicContact CE1-CD1 4.43Å; F247-L334 HydrophobicContact CE2-CD2 4.44Å; F247-L334 HydrophobicContact CE2-CG 4.09Å; F247-L334 HydrophobicContact CG-CD2 3.65Å; F247-L334 HydrophobicContact CG-CG 4.1Å; F247-L334 HydrophobicContact CZ-CG 4.39Å; F247-Y434 PolarHBondContact N-O 3.24Å; F247-Y435 HydrophobicContact CB-CD2 4.24Å; F247-Y435 AromaticContact CD1-CD2 3.57Å; F247-Y435 HydrophobicContact CD1-CD2 3.57Å; F247-Y435 AromaticContact CD1-CE2 3.76Å; F247-Y435 HydrophobicContact CD1-CE2 3.76Å; F247-Y435 HydrophobicContact CE1-CD2 4.28Å; F247-Y435 HydrophobicContact CE1-CE2 4.03Å; F247-Y435 HydrophobicContact CG-CD2 4.18Å; F247-Y435 WeakPolarHBondContact O-CA 3.31Å; F247-V436 PolarHBondContact O-N 3.27Å |
| 248 | L | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.9 | 179.3 | -172.2 | 71.6 | 0 | 0 | 0 | 110.2 | F246 F263 F266 K288 L289 I290 V436 L438 | F246-L248 HydrophobicContact CE1-CB 4.5Å; L248-F263 HydrophobicContact CD2-CD2 3.84Å; L248-F263 HydrophobicContact CD2-CE2 4.18Å; L248-F263 HydrophobicContact CG-CD2 4.14Å; L248-F263 HydrophobicContact CG-CE2 4.39Å; L248-F266 HydrophobicContact CD2-CB 3.94Å; L248-F266 HydrophobicContact CD2-CD1 3.61Å; L248-F266 HydrophobicContact CD2-CD2 4.11Å; L248-F266 HydrophobicContact CD2-CE1 4.1Å; L248-F266 HydrophobicContact CD2-CG 3.63Å; L248-K288 PolarHBondContact N-O 3.14Å; L248-L289 HydrophobicContact CB-CD2 3.5Å; L248-L289 HydrophobicContact CD2-CD2 4.12Å; L248-L289 HydrophobicContact CG-CD2 4.44Å; L248-L289 CarbonylContact O-C 3.53Å; L248-L289 VanDerWaalsContact O-CA 3.3Å; L248-L289 WeakPolarHBondContact O-CA 3.42Å; L248-I290 PolarHBondContact O-N 3.22Å; L248-V436 WeakPolarHBondContact CA-O 3.21Å; L248-V436 HydrophobicContact CD1-CB 3.67Å; L248-V436 HydrophobicContact CD1-CG1 3.86Å; L248-V436 WeakPolarHBondContact CD1-O 3.4Å; L248-L438 HydrophobicContact CD1-CD1 3.91Å; L248-L438 HydrophobicContact CD1-CD2 3.94Å; L248-L438 HydrophobicContact CD1-CG 3.82Å; L248-L438 HydrophobicContact CD2-CD1 4.21Å; L248-L438 HydrophobicContact CG-CD1 4.12Å; L248-L438 HydrophobicContact CG-CG 4.41Å |
| 249 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 156 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | I290 V436 D437 L438 | S249-I290 WeakPolarHBondContact CA-O 3.35Å; S249-V436 PolarHBondContact N-O 3.45Å; S249-D437 PolarHBondContact OG-OD1 3.43Å; S249-L438 WeakPolarHBondContact O-CB 3.06Å; S249-L438 WeakPolarHBondContact O-CG 3.25Å; S249-L438 PolarHBondContact O-N 3Å |
| 250 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 166.4 | 174.2 | 103.3 | 0 | 0 | 0 | 0 | 112.7 | V252 I290 P291 L293 | S250-V252 PolarHBondContact O-N 3.3Å; S250-I290 PolarHBondContact N-O 2.66Å; S250-I290 VanDerWaalsContact N-O 3.09Å; S250-P291 PolarHBondContact OG-O 2.87Å; S250-L293 PolarHBondContact O-N 3.2Å |
| 251 | R | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 0% | 0.004 | 6% | 0.055 | C | C | . | . | trans | 55.8 | 42.1 | 173.6 | -59.9 | -70.3 | -72.8 | -78.1 | 3 | 114.9 | F159 P254 E256 S259 S260 M292 N294 | F159-R251 PolarHBondContact O-NH1 3.05Å; F159-R251 PolarHBondContact O-NH2 3.14Å; R251-P254 VanDerWaalsContact CZ-O 3.27Å; R251-P254 PolarHBondContact NE-O 2.9Å; R251-P254 PolarHBondContact NH2-O 3.2Å; R251-E256 WeakPolarHBondContact CD-O 3.2Å; R251-S259 WeakPolarHBondContact CD-OG 3.42Å; R251-S259 WeakPolarHBondContact CG-OG 3.34Å; R251-S259 PolarHBondContact N-OG 2.66Å; R251-S260 VanDerWaalsContact CD-OG 3.27Å; R251-S260 WeakPolarHBondContact CD-OG 3.4Å; R251-S260 WeakPolarHBondContact CG-OG 3.3Å; R251-S260 PolarHBondContact NH1-OG 3Å; R251-M292 HydrophobicContact CB-CB 4.46Å; R251-M292 HydrophobicContact CB-CG 3.9Å; R251-N294 WeakPolarHBondContact O-CB 3.32Å; R251-N294 PolarHBondContact O-N 3.42Å; R251-N294 VanDerWaalsContact O-N 3.08Å | ||
| 252 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -66.7 | -32.3 | 163.5 | 67.9 | 0 | 0 | 0 | 0 | 111.3 | S250 L293 N294 L312 N313 I327 H439 | S250-V252 PolarHBondContact O-N 3.3Å; V252-L293 HydrophobicContact CB-CB 4.07Å; V252-L293 HydrophobicContact CB-CD1 3.82Å; V252-L293 HydrophobicContact CG2-CB 4.45Å; V252-L293 HydrophobicContact CG2-CD1 4.29Å; V252-N294 WeakPolarHBondContact O-CB 3.43Å; V252-N294 PolarHBondContact O-ND2 3.44Å; V252-L312 HydrophobicContact CG2-CB 3.49Å; V252-L312 VanDerWaalsContact CG2-CB 3.49Å; V252-N313 HydrophobicContact CG1-CB 3.92Å; V252-N313 HydrophobicContact CG2-CB 4.02Å; V252-I327 HydrophobicContact CG2-CD1 4Å; V252-H439 WeakPolarHBondContact CG1-CE1 3.47Å; V252-H439 WeakPolarHBondContact CG1-NE2 3.32Å |
| 253 | H | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -100.9 | 125 | 165.7 | -51 | 122.6 | 0 | 0 | 0 | 109.9 | G255 E256 R304 N311 N313 H439 | H253-G255 PolarHBondContact O-N 3.32Å; H253-E256 HydrophobicContact CB-CB 4.31Å; H253-E256 VanDerWaalsContact CB-CD 3.42Å; H253-E256 HydrophobicContact CB-CG 3.96Å; H253-E256 WeakPolarHBondContact CB-OE1 3.36Å; H253-E256 IonicContact CG-OE1 2.69Å; H253-E256 IonicContact CG-OE2 3.8Å; H253-E256 IonicContact ND1-OE1 2.63Å; H253-E256 PolarHBondContact ND1-OE1 3.1Å; H253-E256 IonicContact ND1-OE2 2.75Å; H253-E256 PolarHBondContact ND1-OE2 3.3Å; H253-E256 PolarHBondContact O-N 3.11Å; H253-R304 VanDerWaalsContact CD2-CZ 3.4Å; H253-R304 PolarHBondContact CD2-NE 3.47Å; H253-R304 PolarHBondContact CD2-O 3.1Å; H253-R304 PolarHBondContact CE1-NH1 2.91Å; H253-R304 PolarHBondContact CE1-NH2 2.84Å; H253-R304 VanDerWaalsContact CG-NH1 3.33Å; H253-R304 PolarHBondContact ND1-NH1 3.06Å; H253-R304 PolarHBondContact NE2-NE 3.1Å; H253-R304 PolarHBondContact NE2-NH1 2.64Å; H253-R304 PolarHBondContact NE2-NH2 3.16Å; H253-N311 PolarHBondContact NE2-OD1 3.26Å; H253-N311 VanDerWaalsContact NE2-OD1 3.15Å; H253-N313 WeakPolarHBondContact NE2-CB 3.48Å; H253-H439 AromaticContact CE1-CE1 3.2Å; H253-H439 PolarHBondContact CE1-CE1 3.22Å; H253-H439 AromaticContact CE1-ND1 3.19Å; H253-H439 PolarHBondContact CE1-ND1 3.46Å; H253-H439 AromaticContact ND1-CE1 3.4Å; H253-H439 PolarHBondContact ND1-CE1 2.97Å; H253-H439 AromaticContact ND1-ND1 3.06Å; H253-H439 PolarHBondContact ND1-ND1 3.1Å |
| 254 | P | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 5.4 Ų | 5.4 | 1% | 0.013 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -42.1 | -172.3 | -30.5 | 37.9 | 0 | 0 | 0 | 115.6 | R251 E256 N294 G297 V298 H302 | R251-P254 VanDerWaalsContact CZ-O 3.27Å; R251-P254 PolarHBondContact NE-O 2.9Å; R251-P254 PolarHBondContact NH2-O 3.2Å; P254-E256 PolarHBondContact O-N 2.89Å; P254-N294 HydrophobicContact CG-CB 4.37Å; P254-G297 VanDerWaalsContact CB-C 3.47Å; P254-G297 VanDerWaalsContact CG-C 3.5Å; P254-V298 HydrophobicContact CB-CG2 3.83Å; P254-H302 HydrophobicContact CB-CB 4.24Å; P254-H302 WeakPolarHBondContact CB-O 3.27Å; P254-H302 HydrophobicContact CG-CB 4.06Å |
| 255 | G | 97.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H253 T257 Y303 Y524 | H253-G255 PolarHBondContact O-N 3.32Å; G255-T257 VanDerWaalsContact C-N 3.26Å; G255-T257 PolarHBondContact O-N 2.89Å; G255-T257 VanDerWaalsContact O-N 3.08Å; G255-Y303 PolarHBondContact N-O 3.45Å; G255-Y524 PolarHBondContact O-OH 3.21Å |
| 256 | E | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 2.4 Ų | 2.4 | 1% | 0.014 | 1% | 0.013 | C | C | . | . | trans | -87.6 | 55.2 | -175.8 | -72.1 | 173.5 | -160.9 | 0 | 0 | 112 | R251 H253 P254 P258 S259 R304 H439 G440 Y524 | R251-E256 WeakPolarHBondContact CD-O 3.2Å; H253-E256 HydrophobicContact CB-CB 4.31Å; H253-E256 VanDerWaalsContact CB-CD 3.42Å; H253-E256 HydrophobicContact CB-CG 3.96Å; H253-E256 WeakPolarHBondContact CB-OE1 3.36Å; H253-E256 IonicContact CG-OE1 2.69Å; H253-E256 IonicContact CG-OE2 3.8Å; H253-E256 IonicContact ND1-OE1 2.63Å; H253-E256 PolarHBondContact ND1-OE1 3.1Å; H253-E256 IonicContact ND1-OE2 2.75Å; H253-E256 PolarHBondContact ND1-OE2 3.3Å; H253-E256 PolarHBondContact O-N 3.11Å; P254-E256 PolarHBondContact O-N 2.89Å; E256-P258 VanDerWaalsContact C-N 3.34Å; E256-S259 WeakPolarHBondContact O-CB 3.27Å; E256-S259 PolarHBondContact O-N 2.76Å; E256-S259 VanDerWaalsContact O-N 3.09Å; E256-S259 PolarHBondContact O-OG 2.89Å; E256-R304 IonicContact OE1-CZ 3.39Å; E256-R304 IonicContact OE1-NH1 3.57Å; E256-R304 PolarHBondContact OE1-NH1 3.37Å; E256-H439 WeakPolarHBondContact OE2-CA 3.5Å; E256-H439 VanDerWaalsContact OE2-CB 3.31Å; E256-H439 WeakPolarHBondContact OE2-CB 3.42Å; E256-H439 IonicContact OE2-CG 2.96Å; E256-H439 IonicContact OE2-ND1 2.65Å; E256-H439 PolarHBondContact OE2-ND1 3.49Å; E256-H439 VanDerWaalsContact OE2-ND1 3.13Å; E256-G440 PolarHBondContact OE2-N 3.07Å; E256-G440 VanDerWaalsContact OE2-N 3.08Å; E256-Y524 WeakPolarHBondContact CA-OH 3.47Å; E256-Y524 WeakPolarHBondContact CG-OH 3.47Å | ||
| 257 | T | 98.4 | Very high | 98.7 | Very high | 1 Ų | 1 | 2.4 Ų | 2.4 | 1% | 0.006 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.9 | -178.3 | 68.9 | 0 | 0 | 0 | 0 | 116.4 | W74 C156 Y157 G255 S259 S260 F261 | W74-T257 HydrophobicContact CH2-CG2 4.05Å; W74-T257 HydrophobicContact CZ3-CG2 4.09Å; C156-T257 PolarHBondContact SG-OG1 2.88Å; Y157-T257 VanDerWaalsContact O-CB 3.29Å; Y157-T257 WeakPolarHBondContact O-CB 3.5Å; Y157-T257 PolarHBondContact O-OG1 2.93Å; G255-T257 VanDerWaalsContact C-N 3.26Å; G255-T257 PolarHBondContact O-N 2.89Å; G255-T257 VanDerWaalsContact O-N 3.08Å; T257-S259 PolarHBondContact O-N 3.4Å; T257-S259 VanDerWaalsContact O-N 3.07Å; T257-S260 WeakPolarHBondContact O-CB 3.34Å; T257-S260 PolarHBondContact O-N 3.5Å; T257-F261 VanDerWaalsContact O-CD2 3.27Å; T257-F261 WeakPolarHBondContact O-CD2 3.27Å |
| 258 | P | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.013 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -50.3 | -34.1 | 170.5 | -31.1 | 38.7 | 0 | 0 | 0 | 113.2 | E256 S260 F261 V262 C522 Y524 F560 | E256-P258 VanDerWaalsContact C-N 3.34Å; P258-S260 VanDerWaalsContact C-N 3.32Å; P258-S260 PolarHBondContact O-N 3.2Å; P258-F261 PolarHBondContact O-N 3.42Å; P258-V262 WeakPolarHBondContact O-CG2 3.35Å; P258-V262 PolarHBondContact O-N 3.33Å; P258-C522 HydrophobicContact CB-CB 3.67Å; P258-Y524 VanDerWaalsContact CD-CE1 3.47Å; P258-Y524 HydrophobicContact CG-CD1 3.57Å; P258-Y524 HydrophobicContact CG-CE1 3.79Å; P258-Y524 HydrophobicContact CG-CG 4.19Å; P258-F560 HydrophobicContact CB-CD1 4.15Å; P258-F560 HydrophobicContact CB-CD2 4.48Å; P258-F560 HydrophobicContact CB-CE1 3.85Å; P258-F560 HydrophobicContact CB-CE2 4.21Å; P258-F560 HydrophobicContact CB-CG 4.46Å; P258-F560 HydrophobicContact CB-CZ 3.88Å; P258-F560 HydrophobicContact CG-CE1 4.46Å; P258-F560 HydrophobicContact CG-CE2 4.39Å; P258-F560 HydrophobicContact CG-CZ 4.06Å |
| 259 | S | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.7 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | R251 E256 T257 V262 F263 L438 | R251-S259 WeakPolarHBondContact CD-OG 3.42Å; R251-S259 WeakPolarHBondContact CG-OG 3.34Å; R251-S259 PolarHBondContact N-OG 2.66Å; E256-S259 WeakPolarHBondContact O-CB 3.27Å; E256-S259 PolarHBondContact O-N 2.76Å; E256-S259 VanDerWaalsContact O-N 3.09Å; E256-S259 PolarHBondContact O-OG 2.89Å; T257-S259 PolarHBondContact O-N 3.4Å; T257-S259 VanDerWaalsContact O-N 3.07Å; S259-V262 PolarHBondContact O-N 2.82Å; S259-F263 WeakPolarHBondContact O-CB 3.41Å; S259-F263 PolarHBondContact O-N 2.91Å; S259-L438 WeakPolarHBondContact CB-O 3.39Å |
| 260 | S | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 6 Ų | 6 | 1% | 0.014 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | F159 R251 T257 P258 F263 N264 | F159-S260 VanDerWaalsContact CD1-CB 3.48Å; F159-S260 WeakPolarHBondContact CD1-OG 3.42Å; R251-S260 VanDerWaalsContact CD-OG 3.27Å; R251-S260 WeakPolarHBondContact CD-OG 3.4Å; R251-S260 WeakPolarHBondContact CG-OG 3.3Å; R251-S260 PolarHBondContact NH1-OG 3Å; T257-S260 WeakPolarHBondContact O-CB 3.34Å; T257-S260 PolarHBondContact O-N 3.5Å; P258-S260 VanDerWaalsContact C-N 3.32Å; P258-S260 PolarHBondContact O-N 3.2Å; S260-F263 WeakPolarHBondContact O-CB 3.5Å; S260-F263 PolarHBondContact O-N 3.46Å; S260-N264 WeakPolarHBondContact O-CB 3.45Å; S260-N264 PolarHBondContact O-N 3.22Å; S260-N264 PolarHBondContact O-OD1 3.34Å |
| 261 | F | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 6.3 Ų | 6.3 | 8% | 0.083 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 178 | -58.3 | -66.1 | 0 | 0 | 0 | 112 | F159 T257 P258 F263 N264 G265 P557 F560 E561 | F159-F261 HydrophobicContact CB-CZ 4.16Å; F159-F261 HydrophobicContact CD2-CE1 4.12Å; F159-F261 HydrophobicContact CD2-CZ 4.43Å; T257-F261 VanDerWaalsContact O-CD2 3.27Å; T257-F261 WeakPolarHBondContact O-CD2 3.27Å; P258-F261 PolarHBondContact O-N 3.42Å; F261-F263 VanDerWaalsContact C-N 3.35Å; F261-N264 PolarHBondContact O-N 3.14Å; F261-G265 PolarHBondContact O-N 2.91Å; F261-P557 HydrophobicContact CD1-CB 3.64Å; F261-P557 HydrophobicContact CD1-CG 4.15Å; F261-P557 HydrophobicContact CE1-CB 3.95Å; F261-P557 HydrophobicContact CE1-CG 4Å; F261-P557 HydrophobicContact CG-CB 4.05Å; F261-P557 HydrophobicContact CZ-CG 4.25Å; F261-F560 HydrophobicContact CB-CB 3.54Å; F261-F560 HydrophobicContact CB-CD2 4.08Å; F261-F560 HydrophobicContact CB-CG 4.21Å; F261-F560 HydrophobicContact CD2-CD2 4.14Å; F261-F560 HydrophobicContact CG-CD2 4.43Å; F261-E561 WeakPolarHBondContact O-CG 3.39Å |
| 262 | V | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | P258 S259 N264 G265 F266 L438 L520 C522 F560 G564 | P258-V262 WeakPolarHBondContact O-CG2 3.35Å; P258-V262 PolarHBondContact O-N 3.33Å; S259-V262 PolarHBondContact O-N 2.82Å; V262-N264 VanDerWaalsContact C-N 3.35Å; V262-N264 PolarHBondContact O-N 3.23Å; V262-G265 PolarHBondContact O-N 2.83Å; V262-F266 PolarHBondContact O-N 3.27Å; V262-L438 HydrophobicContact CB-CD1 4.07Å; V262-L438 HydrophobicContact CG1-CD1 3.83Å; V262-L438 HydrophobicContact CG1-CD2 3.78Å; V262-L438 HydrophobicContact CG1-CG 4.41Å; V262-L520 HydrophobicContact CG1-CD1 4.31Å; V262-C522 VanDerWaalsContact CG2-SG 3.52Å; V262-F560 WeakPolarHBondContact CA-O 3.39Å; V262-F560 HydrophobicContact CG2-CB 3.9Å; V262-F560 HydrophobicContact CG2-CD1 4.43Å; V262-G564 VanDerWaalsContact O-CA 3.3Å; V262-G564 WeakPolarHBondContact O-CA 3.37Å |
| 263 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 176.5 | -174.7 | -84.4 | 0 | 0 | 0 | 111.4 | L209 L248 S259 S260 F261 G265 F266 L267 L289 P291 L438 | L209-F263 HydrophobicContact CD1-CE1 4.46Å; L209-F263 HydrophobicContact CD1-CZ 4.42Å; L248-F263 HydrophobicContact CD2-CD2 3.84Å; L248-F263 HydrophobicContact CD2-CE2 4.18Å; L248-F263 HydrophobicContact CG-CD2 4.14Å; L248-F263 HydrophobicContact CG-CE2 4.39Å; S259-F263 WeakPolarHBondContact O-CB 3.41Å; S259-F263 PolarHBondContact O-N 2.91Å; S260-F263 WeakPolarHBondContact O-CB 3.5Å; S260-F263 PolarHBondContact O-N 3.46Å; F261-F263 VanDerWaalsContact C-N 3.35Å; F263-G265 VanDerWaalsContact C-N 3.34Å; F263-G265 PolarHBondContact O-N 3.05Å; F263-F266 WeakPolarHBondContact O-CB 3.43Å; F263-F266 PolarHBondContact O-N 3.35Å; F263-L267 HydrophobicContact CE1-CB 4.35Å; F263-L267 HydrophobicContact CE1-CD2 3.95Å; F263-L267 WeakPolarHBondContact O-CB 3.32Å; F263-L267 PolarHBondContact O-N 2.67Å; F263-L289 HydrophobicContact CE2-CB 3.78Å; F263-L289 HydrophobicContact CZ-CB 3.56Å; F263-P291 HydrophobicContact CD1-CB 4.32Å; F263-P291 HydrophobicContact CE1-CB 3.73Å; F263-P291 HydrophobicContact CE1-CG 3.73Å; F263-P291 VanDerWaalsContact CZ-CA 3.49Å; F263-P291 HydrophobicContact CZ-CB 3.84Å; F263-P291 HydrophobicContact CZ-CG 3.6Å; F263-L438 HydrophobicContact CB-CD1 3.8Å; F263-L438 HydrophobicContact CD2-CD1 4.33Å |
| 264 | N | 98.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62 | -41 | 179.1 | -69.2 | -5.9 | 0 | 0 | 0 | 111.9 | M167 S260 F261 V262 F266 L267 N268 | M167-N264 WeakPolarHBondContact CE-OD1 3.39Å; S260-N264 WeakPolarHBondContact O-CB 3.45Å; S260-N264 PolarHBondContact O-N 3.22Å; S260-N264 PolarHBondContact O-OD1 3.34Å; F261-N264 PolarHBondContact O-N 3.14Å; V262-N264 VanDerWaalsContact C-N 3.35Å; V262-N264 PolarHBondContact O-N 3.23Å; N264-F266 VanDerWaalsContact C-N 3.33Å; N264-F266 PolarHBondContact O-N 3.35Å; N264-L267 PolarHBondContact O-N 3Å; N264-N268 WeakPolarHBondContact O-CB 3.16Å; N264-N268 PolarHBondContact O-N 2.83Å; N264-N268 PolarHBondContact O-ND2 3.33Å |
| 265 | G | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | F261 V262 F263 F269 E561 | F261-G265 PolarHBondContact O-N 2.91Å; V262-G265 PolarHBondContact O-N 2.83Å; F263-G265 VanDerWaalsContact C-N 3.34Å; F263-G265 PolarHBondContact O-N 3.05Å; G265-F269 VanDerWaalsContact O-CB 3.27Å; G265-F269 WeakPolarHBondContact O-CB 3.04Å; G265-F269 PolarHBondContact O-N 2.8Å; G265-E561 WeakPolarHBondContact CA-O 3.13Å |
| 266 | F | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -54.6 | 173.3 | -174.6 | -78.9 | 0 | 0 | 0 | 110.7 | F246 L248 V262 F263 N264 F269 I270 F287 L289 G564 V567 A568 | F246-F266 HydrophobicContact CD1-CE2 4.43Å; F246-F266 AromaticContact CD1-CZ 3.87Å; F246-F266 HydrophobicContact CD1-CZ 3.87Å; F246-F266 AromaticContact CE1-CE2 3.85Å; F246-F266 HydrophobicContact CE1-CE2 3.85Å; F246-F266 AromaticContact CE1-CZ 3.75Å; F246-F266 HydrophobicContact CE1-CZ 3.75Å; F246-F266 HydrophobicContact CE2-CE2 4.42Å; F246-F266 HydrophobicContact CE2-CZ 4.46Å; F246-F266 HydrophobicContact CG-CZ 4.33Å; F246-F266 AromaticContact CZ-CE2 3.85Å; F246-F266 HydrophobicContact CZ-CE2 3.85Å; F246-F266 HydrophobicContact CZ-CZ 4.07Å; L248-F266 HydrophobicContact CD2-CB 3.94Å; L248-F266 HydrophobicContact CD2-CD1 3.61Å; L248-F266 HydrophobicContact CD2-CD2 4.11Å; L248-F266 HydrophobicContact CD2-CE1 4.1Å; L248-F266 HydrophobicContact CD2-CG 3.63Å; V262-F266 PolarHBondContact O-N 3.27Å; F263-F266 WeakPolarHBondContact O-CB 3.43Å; F263-F266 PolarHBondContact O-N 3.35Å; N264-F266 VanDerWaalsContact C-N 3.33Å; N264-F266 PolarHBondContact O-N 3.35Å; F266-F269 PolarHBondContact O-N 3.08Å; F266-I270 HydrophobicContact CD1-CD1 4.36Å; F266-I270 HydrophobicContact CD1-CG2 4.25Å; F266-I270 HydrophobicContact CE1-CD1 4.02Å; F266-I270 HydrophobicContact CE1-CG2 3.94Å; F266-I270 HydrophobicContact CZ-CG2 4.34Å; F266-I270 PolarHBondContact O-N 2.76Å; F266-F287 AromaticContact CE1-CD1 3.72Å; F266-F287 HydrophobicContact CE1-CD1 3.72Å; F266-F287 HydrophobicContact CE1-CE1 4.03Å; F266-F287 AromaticContact CZ-CD1 3.76Å; F266-F287 HydrophobicContact CZ-CD1 3.76Å; F266-F287 AromaticContact CZ-CE1 3.69Å; F266-F287 HydrophobicContact CZ-CE1 3.69Å; F266-L289 HydrophobicContact CD1-CD2 4.38Å; F266-L289 HydrophobicContact CE1-CD2 3.96Å; F266-G564 WeakPolarHBondContact CD2-O 3.33Å; F266-V567 HydrophobicContact CD2-CB 4.15Å; F266-V567 HydrophobicContact CD2-CG1 3.97Å; F266-V567 HydrophobicContact CE2-CB 4.49Å; F266-V567 HydrophobicContact CE2-CG1 3.95Å; F266-A568 HydrophobicContact CD2-CB 3.69Å; F266-A568 HydrophobicContact CE2-CB 3.57Å; F266-A568 HydrophobicContact CG-CB 4.38Å; F266-A568 HydrophobicContact CZ-CB 4.17Å |
| 267 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -51.2 | -178.1 | 177.9 | 60.1 | 0 | 0 | 0 | 111.8 | L171 L209 V211 F263 N264 F269 I270 L271 L289 | L171-L267 HydrophobicContact CD1-CD2 3.85Å; L209-L267 HydrophobicContact CD1-CD1 4.18Å; L209-L267 HydrophobicContact CD1-CD2 3.75Å; V211-L267 HydrophobicContact CG2-CD1 4.24Å; F263-L267 HydrophobicContact CE1-CB 4.35Å; F263-L267 HydrophobicContact CE1-CD2 3.95Å; F263-L267 WeakPolarHBondContact O-CB 3.32Å; F263-L267 PolarHBondContact O-N 2.67Å; N264-L267 PolarHBondContact O-N 3Å; L267-F269 PolarHBondContact O-N 2.74Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 VanDerWaalsContact O-CG1 3.25Å; L267-I270 WeakPolarHBondContact O-CG1 3.49Å; L267-I270 PolarHBondContact O-N 3.09Å; L267-L271 HydrophobicContact CD1-CD1 3.63Å; L267-L271 HydrophobicContact CD1-CG 4.03Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 WeakPolarHBondContact O-CB 3.15Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 3.18Å; L267-L271 VanDerWaalsContact O-N 3.07Å; L267-L289 HydrophobicContact CD1-CD1 3.73Å |
| 268 | N | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 40% | 0.401 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.6 | -32.7 | 179.4 | -71.1 | -20.3 | 0 | 0 | 0 | 111.8 | N264 R272 | N264-N268 WeakPolarHBondContact O-CB 3.16Å; N264-N268 PolarHBondContact O-N 2.83Å; N264-N268 PolarHBondContact O-ND2 3.33Å; N268-R272 WeakPolarHBondContact O-CG 3.38Å |
| 269 | F | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.5 | -50.6 | 176.9 | 179.6 | -105.9 | 0 | 0 | 0 | 112.1 | G265 F266 L267 L271 R272 D275 R277 A278 L281 R565 A568 V569 | G265-F269 VanDerWaalsContact O-CB 3.27Å; G265-F269 WeakPolarHBondContact O-CB 3.04Å; G265-F269 PolarHBondContact O-N 2.8Å; F266-F269 PolarHBondContact O-N 3.08Å; L267-F269 PolarHBondContact O-N 2.74Å; F269-L271 PolarHBondContact O-N 3.23Å; F269-R272 WeakPolarHBondContact O-CB 3.49Å; F269-R272 WeakPolarHBondContact O-CG 3.27Å; F269-R272 PolarHBondContact O-N 2.96Å; F269-R272 VanDerWaalsContact O-N 3.07Å; F269-D275 WeakPolarHBondContact CE2-OD2 3.33Å; F269-R277 HydrophobicContact CE1-CB 4.41Å; F269-R277 HydrophobicContact CZ-CB 3.79Å; F269-A278 VanDerWaalsContact O-CB 3.27Å; F269-A278 WeakPolarHBondContact O-CB 3.2Å; F269-L281 HydrophobicContact CD1-CD1 4.15Å; F269-L281 HydrophobicContact CE1-CD1 3.63Å; F269-R565 HydrophobicContact CB-CB 4.18Å; F269-R565 HydrophobicContact CB-CG 4.2Å; F269-R565 HydrophobicContact CD1-CG 4.25Å; F269-R565 HydrophobicContact CD2-CB 4.46Å; F269-R565 HydrophobicContact CD2-CG 3.6Å; F269-R565 HydrophobicContact CE2-CG 3.97Å; F269-R565 HydrophobicContact CG-CB 4.25Å; F269-R565 HydrophobicContact CG-CG 3.74Å; F269-R565 HydrophobicContact CZ-CG 4.42Å; F269-A568 HydrophobicContact CD1-CB 3.69Å; F269-A568 HydrophobicContact CE1-CB 4.12Å; F269-V569 HydrophobicContact CD1-CG2 4.4Å; F269-V569 HydrophobicContact CE1-CG2 3.5Å; F269-V569 HydrophobicContact CE2-CG2 4.25Å; F269-V569 HydrophobicContact CZ-CG2 3.4Å; F269-V569 VanDerWaalsContact CZ-CG2 3.4Å |
| 270 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -13.6 | -179.1 | 66.7 | 161.5 | 0 | 0 | 0 | 113.1 | V211 F266 L267 L281 R282 F287 L289 A568 | V211-I270 HydrophobicContact CB-CD1 3.92Å; V211-I270 HydrophobicContact CG1-CD1 3.82Å; V211-I270 HydrophobicContact CG1-CG1 4.38Å; V211-I270 HydrophobicContact CG2-CD1 4.41Å; F266-I270 HydrophobicContact CD1-CD1 4.36Å; F266-I270 HydrophobicContact CD1-CG2 4.25Å; F266-I270 HydrophobicContact CE1-CD1 4.02Å; F266-I270 HydrophobicContact CE1-CG2 3.94Å; F266-I270 HydrophobicContact CZ-CG2 4.34Å; F266-I270 PolarHBondContact O-N 2.76Å; L267-I270 HydrophobicContact CD1-CD1 4.46Å; L267-I270 VanDerWaalsContact O-CG1 3.25Å; L267-I270 WeakPolarHBondContact O-CG1 3.49Å; L267-I270 PolarHBondContact O-N 3.09Å; I270-L281 HydrophobicContact CG2-CD1 4.25Å; I270-R282 WeakPolarHBondContact O-CD 3.4Å; I270-R282 PolarHBondContact O-NH1 3.13Å; I270-F287 HydrophobicContact CB-CE2 4.5Å; I270-F287 HydrophobicContact CD1-CB 3.91Å; I270-F287 HydrophobicContact CD1-CD1 4.11Å; I270-F287 HydrophobicContact CD1-CD2 3.73Å; I270-F287 HydrophobicContact CD1-CE2 4.34Å; I270-F287 HydrophobicContact CD1-CG 3.62Å; I270-F287 HydrophobicContact CG2-CE1 4.31Å; I270-F287 HydrophobicContact CG2-CE2 4.38Å; I270-F287 HydrophobicContact CG2-CZ 4.15Å; I270-L289 HydrophobicContact CD1-CD1 3.9Å; I270-A568 HydrophobicContact CG2-CB 4.07Å |
| 271 | L | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 32.4 Ų | 32.4 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2.9 | 174.6 | -74.7 | 177.7 | 0 | 0 | 0 | 113.7 | L171 Y175 I190 Y192 V211 L267 F269 R273 | L171-L271 HydrophobicContact CD1-CD1 4.4Å; L171-L271 HydrophobicContact CD2-CD1 4.02Å; Y175-L271 HydrophobicContact CE1-CD2 4.33Å; Y175-L271 HydrophobicContact CE2-CD1 4.16Å; Y175-L271 HydrophobicContact CE2-CD2 4.27Å; Y175-L271 PolarHBondContact OH-O 3.15Å; I190-L271 VanDerWaalsContact CD1-O 3.3Å; I190-L271 WeakPolarHBondContact CD1-O 3.47Å; I190-L271 HydrophobicContact CG2-CD2 3.92Å; Y192-L271 HydrophobicContact CD2-CD2 4.3Å; V211-L271 HydrophobicContact CG1-CD2 3.68Å; V211-L271 HydrophobicContact CG1-CG 4.49Å; V211-L271 HydrophobicContact CG2-CD2 4.37Å; L267-L271 HydrophobicContact CD1-CD1 3.63Å; L267-L271 HydrophobicContact CD1-CG 4.03Å; L267-L271 HydrophobicContact CG-CD1 3.85Å; L267-L271 WeakPolarHBondContact O-CB 3.15Å; L267-L271 WeakPolarHBondContact O-CG 3.31Å; L267-L271 PolarHBondContact O-N 3.18Å; L267-L271 VanDerWaalsContact O-N 3.07Å; F269-L271 PolarHBondContact O-N 3.23Å; L271-R273 PolarHBondContact O-N 3.31Å |
| 272 | R | 97.3 | Very high | 98 | Very high | 100 Ų | 100 | 31.5 Ų | 31.5 | 38% | 0.377 | 15% | 0.151 | S | C | . | . | trans | -62.2 | 129.9 | 178 | -70.2 | 179.5 | 177.7 | -168.4 | -8.1 | 111.3 | N268 F269 D275 A278 R282 | N268-R272 WeakPolarHBondContact O-CG 3.38Å; F269-R272 WeakPolarHBondContact O-CB 3.49Å; F269-R272 WeakPolarHBondContact O-CG 3.27Å; F269-R272 PolarHBondContact O-N 2.96Å; F269-R272 VanDerWaalsContact O-N 3.07Å; R272-D275 HydrophobicContact CB-CB 3.78Å; R272-D275 IonicContact NH1-OD2 2.92Å; R272-A278 HydrophobicContact CB-CB 4.11Å; R272-R282 PolarHBondContact O-NH1 3.46Å; R272-R282 PolarHBondContact O-NH2 2.88Å; R272-R282 VanDerWaalsContact O-NH2 3.14Å | ||
| 273 | R | 95.3 | Very high | 97.9 | Very high | 144 Ų | 144 | 34.4 Ų | 34.4 | 54% | 0.543 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -81.9 | -20.5 | 179.8 | -64.5 | -177.6 | -175.6 | -164.7 | 1.6 | 114 | S174 I190 L271 H279 | S174-R273 PolarHBondContact O-NH2 2.84Å; S174-R273 VanDerWaalsContact O-NH2 3.1Å; I190-R273 HydrophobicContact CD1-CG 3.79Å; L271-R273 PolarHBondContact O-N 3.31Å; R273-H279 PolarHBondContact O-CE1 3.44Å; R273-H279 PolarHBondContact O-NE2 3.34Å |
| 274 | D | 93.1 | Very high | 97.8 | Very high | 148 Ų | 148 | 36.7 Ų | 36.7 | 79% | 0.791 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -124.4 | 13.8 | -170.4 | -44.6 | -33.9 | 0 | 0 | 0 | 112.7 | ||
| 275 | D | 96.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | trans | -107.2 | 112.3 | 178.3 | -164.7 | -50 | 0 | 0 | 0 | 109.5 | F269 R272 R277 A278 H279 | F269-D275 WeakPolarHBondContact CE2-OD2 3.33Å; R272-D275 HydrophobicContact CB-CB 3.78Å; R272-D275 IonicContact NH1-OD2 2.92Å; D275-R277 PolarHBondContact O-N 2.87Å; D275-R277 VanDerWaalsContact O-N 3.16Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.34Å; D275-R277 IonicContact OD1-CZ 2.97Å; D275-R277 PolarHBondContact OD1-N 2.89Å; D275-R277 IonicContact OD1-NE 3.13Å; D275-R277 PolarHBondContact OD1-NE 2.88Å; D275-R277 IonicContact OD1-NH2 3.01Å; D275-R277 IonicContact OD2-CZ 3.69Å; D275-R277 IonicContact OD2-NE 3.55Å; D275-R277 IonicContact OD2-NH2 3.47Å; D275-R277 PolarHBondContact OD2-NH2 2.98Å; D275-A278 HydrophobicContact CB-CB 4.08Å; D275-A278 WeakPolarHBondContact O-CA 3.24Å; D275-A278 WeakPolarHBondContact O-CB 3.44Å; D275-A278 PolarHBondContact O-N 2.97Å; D275-H279 PolarHBondContact O-CD2 2.84Å; D275-H279 PolarHBondContact O-N 3.38Å; D275-H279 VanDerWaalsContact O-N 3.15Å | ||
| 276 | P | 97.2 | Very high | 97.7 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 27% | 0.266 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.7 | -32.2 | -175.1 | 23.8 | -33.6 | 0 | 0 | 0 | 112.4 | A278 H279 T280 P579 W580 | P276-A278 VanDerWaalsContact C-N 3.33Å; P276-A278 PolarHBondContact O-N 3.33Å; P276-H279 PolarHBondContact O-N 3.21Å; P276-T280 PolarHBondContact O-N 3.04Å; P276-T280 PolarHBondContact O-OG1 3.44Å; P276-T280 VanDerWaalsContact O-OG1 3.08Å; P276-P579 HydrophobicContact CB-CB 4.05Å; P276-P579 HydrophobicContact CB-CG 4.15Å; P276-P579 HydrophobicContact CG-CB 4.22Å; P276-W580 VanDerWaalsContact CD-CH2 3.45Å; P276-W580 VanDerWaalsContact CD-CZ2 3.49Å; P276-W580 HydrophobicContact CG-CD2 4.11Å; P276-W580 VanDerWaalsContact CG-CE2 3.46Å; P276-W580 HydrophobicContact CG-CH2 3.78Å; P276-W580 HydrophobicContact CG-CZ2 3.29Å; P276-W580 HydrophobicContact CG-CZ3 4.36Å |
| 277 | R | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 6% | 0.06 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.6 | -61.5 | 172 | -66.7 | -169.5 | -1 | 111.3 | F269 D275 H279 T280 L281 L572 N578 P579 W580 | F269-R277 HydrophobicContact CE1-CB 4.41Å; F269-R277 HydrophobicContact CZ-CB 3.79Å; D275-R277 PolarHBondContact O-N 2.87Å; D275-R277 VanDerWaalsContact O-N 3.16Å; D275-R277 VanDerWaalsContact OD1-CB 3.3Å; D275-R277 WeakPolarHBondContact OD1-CB 3.34Å; D275-R277 IonicContact OD1-CZ 2.97Å; D275-R277 PolarHBondContact OD1-N 2.89Å; D275-R277 IonicContact OD1-NE 3.13Å; D275-R277 PolarHBondContact OD1-NE 2.88Å; D275-R277 IonicContact OD1-NH2 3.01Å; D275-R277 IonicContact OD2-CZ 3.69Å; D275-R277 IonicContact OD2-NE 3.55Å; D275-R277 IonicContact OD2-NH2 3.47Å; D275-R277 PolarHBondContact OD2-NH2 2.98Å; R277-H279 VanDerWaalsContact C-N 3.33Å; R277-T280 PolarHBondContact O-N 3.22Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 WeakPolarHBondContact O-CG 3.43Å; R277-L281 PolarHBondContact O-N 3.25Å; R277-L572 HydrophobicContact CB-CD1 3.54Å; R277-L572 HydrophobicContact CG-CD1 4.02Å; R277-N578 WeakPolarHBondContact CG-OD1 3.5Å; R277-P579 HydrophobicContact CG-CB 4.41Å; R277-P579 HydrophobicContact CG-CG 4.33Å; R277-W580 HydrophobicContact CG-CE3 4.35Å; R277-W580 VanDerWaalsContact CZ-CE3 3.43Å |
| 278 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F269 R272 D275 P276 R282 | F269-A278 VanDerWaalsContact O-CB 3.27Å; F269-A278 WeakPolarHBondContact O-CB 3.2Å; R272-A278 HydrophobicContact CB-CB 4.11Å; D275-A278 HydrophobicContact CB-CB 4.08Å; D275-A278 WeakPolarHBondContact O-CA 3.24Å; D275-A278 WeakPolarHBondContact O-CB 3.44Å; D275-A278 PolarHBondContact O-N 2.97Å; P276-A278 VanDerWaalsContact C-N 3.33Å; P276-A278 PolarHBondContact O-N 3.33Å; A278-R282 WeakPolarHBondContact O-CG 3.42Å; A278-R282 PolarHBondContact O-N 2.98Å; A278-R282 VanDerWaalsContact O-N 3.1Å; A278-R282 PolarHBondContact O-NH1 2.96Å |
| 279 | H | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 29% | 0.292 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.9 | -50.8 | 171.7 | -66.8 | -79.9 | 0 | 0 | 0 | 112.1 | R273 D275 P276 R277 L281 R282 S283 | R273-H279 PolarHBondContact O-CE1 3.44Å; R273-H279 PolarHBondContact O-NE2 3.34Å; D275-H279 PolarHBondContact O-CD2 2.84Å; D275-H279 PolarHBondContact O-N 3.38Å; D275-H279 VanDerWaalsContact O-N 3.15Å; P276-H279 PolarHBondContact O-N 3.21Å; R277-H279 VanDerWaalsContact C-N 3.33Å; H279-L281 VanDerWaalsContact C-N 3.29Å; H279-L281 PolarHBondContact O-N 3.01Å; H279-R282 PolarHBondContact CE1-NH2 2.86Å; H279-R282 PolarHBondContact ND1-NH2 2.87Å; H279-R282 PolarHBondContact O-N 3.14Å; H279-R282 VanDerWaalsContact O-N 3.14Å; H279-S283 PolarHBondContact O-N 2.98Å; H279-S283 PolarHBondContact O-OG 2.87Å |
| 280 | T | 98.3 | Very high | 97.8 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 23% | 0.233 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | P276 R277 R282 S283 M284 L572 P579 | P276-T280 PolarHBondContact O-N 3.04Å; P276-T280 PolarHBondContact O-OG1 3.44Å; P276-T280 VanDerWaalsContact O-OG1 3.08Å; R277-T280 PolarHBondContact O-N 3.22Å; T280-R282 PolarHBondContact O-N 3.12Å; T280-S283 WeakPolarHBondContact O-CB 3.43Å; T280-S283 PolarHBondContact O-N 2.95Å; T280-S283 VanDerWaalsContact O-N 3.09Å; T280-M284 HydrophobicContact CG2-SD 4.03Å; T280-M284 WeakPolarHBondContact O-CG 3.49Å; T280-M284 PolarHBondContact O-N 3.41Å; T280-L572 HydrophobicContact CG2-CD2 3.61Å; T280-P579 WeakPolarHBondContact OG1-CG 3.28Å |
| 281 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 175.1 | -84.2 | 166.3 | 0 | 0 | 0 | 112.4 | F269 I270 R277 H279 S283 M284 F285 F287 A568 A571 L572 | F269-L281 HydrophobicContact CD1-CD1 4.15Å; F269-L281 HydrophobicContact CE1-CD1 3.63Å; I270-L281 HydrophobicContact CG2-CD1 4.25Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 WeakPolarHBondContact O-CG 3.43Å; R277-L281 PolarHBondContact O-N 3.25Å; H279-L281 VanDerWaalsContact C-N 3.29Å; H279-L281 PolarHBondContact O-N 3.01Å; L281-S283 VanDerWaalsContact C-N 3.28Å; L281-S283 PolarHBondContact O-N 3.09Å; L281-M284 PolarHBondContact O-N 2.61Å; L281-F285 HydrophobicContact CD2-CD2 4.11Å; L281-F285 HydrophobicContact CD2-CE2 4.19Å; L281-F285 PolarHBondContact O-N 3.44Å; L281-F287 HydrophobicContact CB-CE2 4.22Å; L281-F287 HydrophobicContact CB-CZ 3.87Å; L281-F287 HydrophobicContact CD2-CZ 4.06Å; L281-F287 HydrophobicContact CG-CZ 4.48Å; L281-A568 HydrophobicContact CD1-CB 3.93Å; L281-A568 WeakPolarHBondContact CD2-O 3.3Å; L281-A571 HydrophobicContact CD2-CB 4.16Å; L281-L572 HydrophobicContact CD1-CD1 4.29Å; L281-L572 HydrophobicContact CD1-CG 4.37Å; L281-L572 HydrophobicContact CD2-CD2 3.88Å; L281-L572 HydrophobicContact CD2-CG 3.88Å; L281-L572 HydrophobicContact CG-CD1 4Å; L281-L572 HydrophobicContact CG-CD2 3.72Å; L281-L572 HydrophobicContact CG-CG 3.74Å |
| 282 | R | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.9 | -24.6 | 177.6 | -69.6 | -174 | -56.4 | -95.5 | 6.7 | 113.2 | T212 N213 K243 I270 R272 A278 H279 T280 F287 | T212-R282 WeakPolarHBondContact O-CD 3.45Å; T212-R282 PolarHBondContact OG1-O 2.78Å; N213-R282 HydrophobicContact CB-CB 3.98Å; N213-R282 PolarHBondContact OD1-O 2.73Å; K243-R282 PolarHBondContact NZ-O 2.81Å; I270-R282 WeakPolarHBondContact O-CD 3.4Å; I270-R282 PolarHBondContact O-NH1 3.13Å; R272-R282 PolarHBondContact O-NH1 3.46Å; R272-R282 PolarHBondContact O-NH2 2.88Å; R272-R282 VanDerWaalsContact O-NH2 3.14Å; A278-R282 WeakPolarHBondContact O-CG 3.42Å; A278-R282 PolarHBondContact O-N 2.98Å; A278-R282 VanDerWaalsContact O-N 3.1Å; A278-R282 PolarHBondContact O-NH1 2.96Å; H279-R282 PolarHBondContact CE1-NH2 2.86Å; H279-R282 PolarHBondContact ND1-NH2 2.87Å; H279-R282 PolarHBondContact O-N 3.14Å; H279-R282 VanDerWaalsContact O-N 3.14Å; T280-R282 PolarHBondContact O-N 3.12Å; R282-F287 HydrophobicContact CG-CE2 4.39Å |
| 283 | S | 97.2 | Very high | 97.9 | Very high | 63 Ų | 63 | 28.6 Ų | 28.6 | 44% | 0.441 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -74.7 | -28.4 | 172.7 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | N213 K243 H279 T280 L281 | N213-S283 WeakPolarHBondContact ND2-CA 3.49Å; N213-S283 PolarHBondContact ND2-N 3.3Å; N213-S283 PolarHBondContact ND2-OG 3.08Å; K243-S283 VanDerWaalsContact CE-O 3.27Å; K243-S283 WeakPolarHBondContact CE-O 2.96Å; H279-S283 PolarHBondContact O-N 2.98Å; H279-S283 PolarHBondContact O-OG 2.87Å; T280-S283 WeakPolarHBondContact O-CB 3.43Å; T280-S283 PolarHBondContact O-N 2.95Å; T280-S283 VanDerWaalsContact O-N 3.09Å; L281-S283 VanDerWaalsContact C-N 3.28Å; L281-S283 PolarHBondContact O-N 3.09Å |
| 284 | M | 96.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 21.9 Ų | 21.9 | 25% | 0.246 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -90.2 | -37.8 | -177.8 | -67.5 | 170 | 70.9 | 0 | 0 | 113.6 | T280 L281 L572 A575 C577 | T280-M284 HydrophobicContact CG2-SD 4.03Å; T280-M284 WeakPolarHBondContact O-CG 3.49Å; T280-M284 PolarHBondContact O-N 3.41Å; L281-M284 PolarHBondContact O-N 2.61Å; M284-L572 HydrophobicContact SD-CD2 3.65Å; M284-A575 HydrophobicContact CE-CB 3.28Å; M284-C577 PolarHBondContact SD-SG 3.36Å |
| 285 | F | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 15 Ų | 15 | 6% | 0.061 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.4 | -167.2 | -59.1 | -71.3 | 0 | 0 | 0 | 113 | T212 R244 F246 L281 F287 A433 Y434 A571 | T212-F285 WeakPolarHBondContact CB-O 3.17Å; T212-F285 PolarHBondContact OG1-O 2.84Å; R244-F285 VanDerWaalsContact O-CA 3.29Å; R244-F285 WeakPolarHBondContact O-CA 3.12Å; F246-F285 HydrophobicContact CB-CB 4.28Å; F246-F285 HydrophobicContact CB-CD1 4.36Å; F246-F285 HydrophobicContact CB-CG 4.29Å; L281-F285 HydrophobicContact CD2-CD2 4.11Å; L281-F285 HydrophobicContact CD2-CE2 4.19Å; L281-F285 PolarHBondContact O-N 3.44Å; F285-F287 HydrophobicContact CB-CD2 4.44Å; F285-F287 HydrophobicContact CB-CE1 4.11Å; F285-F287 HydrophobicContact CB-CE2 3.97Å; F285-F287 HydrophobicContact CB-CZ 3.76Å; F285-F287 HydrophobicContact CD2-CE1 4.47Å; F285-F287 HydrophobicContact CD2-CZ 4.05Å; F285-F287 HydrophobicContact CG-CZ 4.31Å; F285-A433 HydrophobicContact CD1-CB 4.3Å; F285-A433 HydrophobicContact CE1-CB 3.71Å; F285-Y434 HydrophobicContact CE1-CD2 4.29Å; F285-Y434 HydrophobicContact CE1-CE2 4.12Å; F285-Y434 HydrophobicContact CZ-CD2 4.42Å; F285-Y434 AromaticContact CZ-CE2 3.9Å; F285-Y434 HydrophobicContact CZ-CE2 3.9Å; F285-A571 HydrophobicContact CE2-CB 4.12Å; F285-A571 HydrophobicContact CZ-CB 4.48Å |
| 286 | V | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.7 | 152.4 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | T210 F240 K243 R244 V245 F246 K288 | T210-V286 HydrophobicContact CG2-CG1 3.74Å; F240-V286 HydrophobicContact CB-CG2 3.59Å; F240-V286 HydrophobicContact CD2-CG2 4.05Å; F240-V286 HydrophobicContact CG-CG2 4.05Å; K243-V286 HydrophobicContact CB-CG2 3.87Å; K243-V286 HydrophobicContact CD-CG2 4.35Å; R244-V286 PolarHBondContact O-N 2.95Å; V245-V286 VanDerWaalsContact CA-O 3.29Å; V245-V286 WeakPolarHBondContact CA-O 3.2Å; V245-V286 HydrophobicContact CG2-CB 4.32Å; F246-V286 PolarHBondContact N-O 3.12Å; V286-K288 HydrophobicContact CG1-CD 4.47Å; V286-K288 HydrophobicContact CG1-CG 4.49Å |
| 287 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 121.8 | 175.8 | -63.8 | -79.4 | 0 | 0 | 0 | 109.3 | T210 V211 F246 F266 I270 L281 R282 F285 L289 | T210-F287 VanDerWaalsContact CA-O 3.31Å; T210-F287 WeakPolarHBondContact CA-O 3.28Å; V211-F287 HydrophobicContact CB-CB 4.13Å; V211-F287 PolarHBondContact N-O 3.14Å; V211-F287 WeakPolarHBondContact O-CB 3.28Å; V211-F287 VanDerWaalsContact O-CD2 3.28Å; V211-F287 WeakPolarHBondContact O-CD2 3.31Å; V211-F287 PolarHBondContact O-N 3.2Å; F246-F287 HydrophobicContact CB-CD1 3.64Å; F246-F287 HydrophobicContact CB-CE1 3.75Å; F246-F287 HydrophobicContact CD1-CD1 4.36Å; F246-F287 HydrophobicContact CD2-CE1 4.21Å; F246-F287 HydrophobicContact CG-CD1 4.02Å; F246-F287 AromaticContact CG-CE1 3.93Å; F246-F287 HydrophobicContact CG-CE1 3.93Å; F246-F287 WeakPolarHBondContact O-CA 3.22Å; F266-F287 AromaticContact CE1-CD1 3.72Å; F266-F287 HydrophobicContact CE1-CD1 3.72Å; F266-F287 HydrophobicContact CE1-CE1 4.03Å; F266-F287 AromaticContact CZ-CD1 3.76Å; F266-F287 HydrophobicContact CZ-CD1 3.76Å; F266-F287 AromaticContact CZ-CE1 3.69Å; F266-F287 HydrophobicContact CZ-CE1 3.69Å; I270-F287 HydrophobicContact CB-CE2 4.5Å; I270-F287 HydrophobicContact CD1-CB 3.91Å; I270-F287 HydrophobicContact CD1-CD1 4.11Å; I270-F287 HydrophobicContact CD1-CD2 3.73Å; I270-F287 HydrophobicContact CD1-CE2 4.34Å; I270-F287 HydrophobicContact CD1-CG 3.62Å; I270-F287 HydrophobicContact CG2-CE1 4.31Å; I270-F287 HydrophobicContact CG2-CE2 4.38Å; I270-F287 HydrophobicContact CG2-CZ 4.15Å; L281-F287 HydrophobicContact CB-CE2 4.22Å; L281-F287 HydrophobicContact CB-CZ 3.87Å; L281-F287 HydrophobicContact CD2-CZ 4.06Å; L281-F287 HydrophobicContact CG-CZ 4.48Å; R282-F287 HydrophobicContact CG-CE2 4.39Å; F285-F287 HydrophobicContact CB-CD2 4.44Å; F285-F287 HydrophobicContact CB-CE1 4.11Å; F285-F287 HydrophobicContact CB-CE2 3.97Å; F285-F287 HydrophobicContact CB-CZ 3.76Å; F285-F287 HydrophobicContact CD2-CE1 4.47Å; F285-F287 HydrophobicContact CD2-CZ 4.05Å; F285-F287 HydrophobicContact CG-CZ 4.31Å; F287-L289 HydrophobicContact CB-CD1 4.26Å; F287-L289 HydrophobicContact CB-CD2 4.02Å; F287-L289 HydrophobicContact CB-CG 4.06Å |
| 288 | K | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.5 | 173.1 | -66.8 | -69.4 | 175.7 | 171.1 | 0 | 108.1 | L208 L209 T210 E222 V245 F246 F247 L248 V286 H337 | L208-K288 HydrophobicContact CD1-CB 4.22Å; L208-K288 HydrophobicContact CD1-CD 4.28Å; L208-K288 HydrophobicContact CD2-CD 4.31Å; L209-K288 WeakPolarHBondContact O-CA 3.44Å; T210-K288 HydrophobicContact CG2-CD 4.41Å; T210-K288 PolarHBondContact OG1-NZ 3.39Å; E222-K288 WeakPolarHBondContact OE1-CE 3.35Å; E222-K288 IonicContact OE1-NZ 3.11Å; E222-K288 PolarHBondContact OE1-NZ 3.42Å; E222-K288 IonicContact OE2-NZ 2.86Å; E222-K288 PolarHBondContact OE2-NZ 3.42Å; V245-K288 HydrophobicContact CG1-CB 3.97Å; V245-K288 HydrophobicContact CG1-CG 3.69Å; F246-K288 PolarHBondContact O-N 2.88Å; F247-K288 WeakPolarHBondContact CA-O 3.44Å; F247-K288 HydrophobicContact CD2-CB 3.73Å; F247-K288 HydrophobicContact CE2-CB 4.14Å; F247-K288 HydrophobicContact CG-CB 4.47Å; L248-K288 PolarHBondContact N-O 3.14Å; V286-K288 HydrophobicContact CG1-CD 4.47Å; V286-K288 HydrophobicContact CG1-CG 4.49Å; K288-H337 VanDerWaalsContact CE-NE2 3.28Å; K288-H337 WeakPolarHBondContact CE-NE2 3.5Å |
| 289 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.3 | -166.5 | -44.2 | 172.9 | 0 | 0 | 0 | 110.3 | L209 V211 L248 F263 F266 L267 I270 F287 P291 | L209-L289 HydrophobicContact CB-CB 4.17Å; L209-L289 PolarHBondContact N-O 2.98Å; L209-L289 PolarHBondContact O-N 2.92Å; V211-L289 HydrophobicContact CG2-CD1 4.33Å; L248-L289 HydrophobicContact CB-CD2 3.5Å; L248-L289 HydrophobicContact CD2-CD2 4.12Å; L248-L289 HydrophobicContact CG-CD2 4.44Å; L248-L289 CarbonylContact O-C 3.53Å; L248-L289 VanDerWaalsContact O-CA 3.3Å; L248-L289 WeakPolarHBondContact O-CA 3.42Å; F263-L289 HydrophobicContact CE2-CB 3.78Å; F263-L289 HydrophobicContact CZ-CB 3.56Å; F266-L289 HydrophobicContact CD1-CD2 4.38Å; F266-L289 HydrophobicContact CE1-CD2 3.96Å; L267-L289 HydrophobicContact CD1-CD1 3.73Å; I270-L289 HydrophobicContact CD1-CD1 3.9Å; F287-L289 HydrophobicContact CB-CD1 4.26Å; F287-L289 HydrophobicContact CB-CD2 4.02Å; F287-L289 HydrophobicContact CB-CG 4.06Å; L289-P291 WeakPolarHBondContact O-CD 3.46Å |
| 290 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 103.6 | 173.1 | -59.6 | 176.1 | 0 | 0 | 0 | 108.3 | L197 V206 L208 F247 L248 S249 S250 M292 L293 A330 | L197-I290 HydrophobicContact CD2-CD1 3.55Å; L197-I290 HydrophobicContact CD2-CG1 4.11Å; V206-I290 HydrophobicContact CG1-CG2 4.08Å; L208-I290 HydrophobicContact CD1-CG1 4.1Å; F247-I290 HydrophobicContact CE1-CD1 4.17Å; F247-I290 HydrophobicContact CZ-CD1 3.65Å; F247-I290 HydrophobicContact CZ-CG1 4.23Å; L248-I290 PolarHBondContact O-N 3.22Å; S249-I290 WeakPolarHBondContact CA-O 3.35Å; S250-I290 PolarHBondContact N-O 2.66Å; S250-I290 VanDerWaalsContact N-O 3.09Å; I290-M292 VanDerWaalsContact C-N 3.28Å; I290-M292 PolarHBondContact O-N 3.4Å; I290-L293 HydrophobicContact CD1-CD2 4.1Å; I290-L293 HydrophobicContact CG2-CD2 3.83Å; I290-L293 HydrophobicContact CG2-CG 4.02Å; I290-A330 HydrophobicContact CD1-CB 3.9Å |
| 291 | P | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.032 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -63.1 | -33.5 | -177 | -21.8 | 32.4 | 0 | 0 | 0 | 113 | L168 D207 L209 S250 F263 L289 | L168-P291 HydrophobicContact CD1-CG 4.09Å; L168-P291 HydrophobicContact CD2-CG 4.23Å; D207-P291 WeakPolarHBondContact O-CD 3.38Å; L209-P291 HydrophobicContact CD1-CG 4.01Å; L209-P291 HydrophobicContact CG-CG 4.16Å; S250-P291 PolarHBondContact OG-O 2.87Å; F263-P291 HydrophobicContact CD1-CB 4.32Å; F263-P291 HydrophobicContact CE1-CB 3.73Å; F263-P291 HydrophobicContact CE1-CG 3.73Å; F263-P291 VanDerWaalsContact CZ-CA 3.49Å; F263-P291 HydrophobicContact CZ-CB 3.84Å; F263-P291 HydrophobicContact CZ-CG 3.6Å; L289-P291 WeakPolarHBondContact O-CD 3.46Å |
| 292 | M | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | trans | -148.8 | 108.6 | -175.3 | -167.8 | 170.9 | -63 | 0 | 0 | 111.9 | Y161 C164 R251 I290 P295 V298 | Y161-M292 HydrophobicContact CD2-SD 3.75Å; Y161-M292 HydrophobicContact CG-SD 4.49Å; C164-M292 HydrophobicContact CB-CE 3.91Å; R251-M292 HydrophobicContact CB-CB 4.46Å; R251-M292 HydrophobicContact CB-CG 3.9Å; I290-M292 VanDerWaalsContact C-N 3.28Å; I290-M292 PolarHBondContact O-N 3.4Å; M292-P295 HydrophobicContact CG-CB 4.45Å; M292-P295 HydrophobicContact SD-CB 4.14Å; M292-V298 HydrophobicContact CE-CG1 4.26Å; M292-V298 HydrophobicContact CE-CG2 4.36Å; M292-V298 HydrophobicContact CG-CG2 4.41Å; M292-V298 HydrophobicContact SD-CB 3.91Å; M292-V298 HydrophobicContact SD-CG1 4.08Å; M292-V298 HydrophobicContact SD-CG2 3.75Å | ||
| 293 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -77.8 | -25.6 | 177.8 | -79.2 | 170 | 0 | 0 | 0 | 113.8 | S250 V252 I290 Y316 S326 I327 A330 | S250-L293 PolarHBondContact O-N 3.2Å; V252-L293 HydrophobicContact CB-CB 4.07Å; V252-L293 HydrophobicContact CB-CD1 3.82Å; V252-L293 HydrophobicContact CG2-CB 4.45Å; V252-L293 HydrophobicContact CG2-CD1 4.29Å; I290-L293 HydrophobicContact CD1-CD2 4.1Å; I290-L293 HydrophobicContact CG2-CD2 3.83Å; I290-L293 HydrophobicContact CG2-CG 4.02Å; L293-Y316 WeakPolarHBondContact CD1-OH 3.37Å; L293-S326 WeakPolarHBondContact O-CB 3.49Å; L293-S326 PolarHBondContact O-OG 3.32Å; L293-I327 HydrophobicContact CD1-CD1 4.43Å; L293-I327 HydrophobicContact CD2-CD1 4.34Å; L293-A330 HydrophobicContact CD2-CB 4.26Å |
| 294 | N | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.016 | 7% | 0.066 | C | C | . | . | trans | -128.2 | 67.1 | -176 | -166.9 | -11.6 | 0 | 0 | 0 | 112.1 | R251 V252 P254 D296 G297 V298 T305 D306 L312 | R251-N294 WeakPolarHBondContact O-CB 3.32Å; R251-N294 PolarHBondContact O-N 3.42Å; R251-N294 VanDerWaalsContact O-N 3.08Å; V252-N294 WeakPolarHBondContact O-CB 3.43Å; V252-N294 PolarHBondContact O-ND2 3.44Å; P254-N294 HydrophobicContact CG-CB 4.37Å; N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 2.92Å; N294-G297 PolarHBondContact OD1-N 3.04Å; N294-V298 WeakPolarHBondContact O-CG2 3.4Å; N294-V298 PolarHBondContact O-N 2.91Å; N294-T305 PolarHBondContact ND2-O 2.77Å; N294-D306 WeakPolarHBondContact ND2-CA 3.36Å; N294-D306 PolarHBondContact ND2-N 3.19Å; N294-L312 HydrophobicContact CB-CD1 3.88Å | ||
| 295 | P | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.013 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | -180 | 26.5 | -35 | 0 | 0 | 0 | 112.6 | Y161 N204 V206 M292 V298 V299 | Y161-P295 HydrophobicContact CD2-CB 3.53Å; Y161-P295 HydrophobicContact CE2-CB 3.54Å; Y161-P295 HydrophobicContact CG-CB 4.28Å; N204-P295 HydrophobicContact CB-CB 3.86Å; N204-P295 HydrophobicContact CB-CG 3.9Å; V206-P295 HydrophobicContact CG2-CG 4.03Å; M292-P295 HydrophobicContact CG-CB 4.45Å; M292-P295 HydrophobicContact SD-CB 4.14Å; P295-V298 WeakPolarHBondContact O-CB 3.33Å; P295-V298 PolarHBondContact O-N 3.09Å; P295-V298 VanDerWaalsContact O-N 3.1Å; P295-V299 WeakPolarHBondContact O-CG2 3.27Å; P295-V299 PolarHBondContact O-N 3.05Å |
| 296 | D | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 12 Ų | 12 | 2% | 0.016 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.2 | -51 | -178 | -64.2 | -6.5 | 0 | 0 | 0 | 112.2 | S200 L201 D202 N204 N294 V298 V299 R300 | S200-D296 VanDerWaalsContact CB-CG 3.49Å; S200-D296 WeakPolarHBondContact CB-OD1 3.25Å; S200-D296 WeakPolarHBondContact CB-OD2 3.37Å; S200-D296 PolarHBondContact OG-OD1 3.15Å; S200-D296 PolarHBondContact OG-OD2 3.47Å; L201-D296 PolarHBondContact N-OD2 2.94Å; D202-D296 HydrophobicContact CB-CB 4.36Å; D202-D296 WeakPolarHBondContact CB-OD1 3.15Å; D202-D296 VanDerWaalsContact CG-CG 3.5Å; D202-D296 PolarHBondContact N-OD2 2.86Å; D202-D296 WeakPolarHBondContact OD2-CB 3.43Å; N204-D296 PolarHBondContact ND2-OD1 3.34Å; N294-D296 VanDerWaalsContact C-N 3.28Å; N294-D296 PolarHBondContact O-N 2.92Å; D296-V298 PolarHBondContact O-N 3.04Å; D296-V299 PolarHBondContact O-N 3.12Å; D296-R300 WeakPolarHBondContact O-CB 3.43Å; D296-R300 VanDerWaalsContact O-CG 3.25Å; D296-R300 WeakPolarHBondContact O-CG 3.48Å; D296-R300 PolarHBondContact O-N 3.27Å |
| 297 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | P254 N294 G301 H302 | P254-G297 VanDerWaalsContact CB-C 3.47Å; P254-G297 VanDerWaalsContact CG-C 3.5Å; N294-G297 PolarHBondContact OD1-N 3.04Å; G297-G301 PolarHBondContact O-N 2.92Å; G297-H302 VanDerWaalsContact O-CB 3.3Å; G297-H302 WeakPolarHBondContact O-CB 3.27Å; G297-H302 PolarHBondContact O-N 3.43Å |
| 298 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.7 | -51.3 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | S16 P254 M292 N294 P295 D296 R300 G301 | S16-V298 WeakPolarHBondContact CA-O 3.49Å; S16-V298 WeakPolarHBondContact CB-O 3.39Å; S16-V298 PolarHBondContact OG-O 3.48Å; P254-V298 HydrophobicContact CB-CG2 3.83Å; M292-V298 HydrophobicContact CE-CG1 4.26Å; M292-V298 HydrophobicContact CE-CG2 4.36Å; M292-V298 HydrophobicContact CG-CG2 4.41Å; M292-V298 HydrophobicContact SD-CB 3.91Å; M292-V298 HydrophobicContact SD-CG1 4.08Å; M292-V298 HydrophobicContact SD-CG2 3.75Å; N294-V298 WeakPolarHBondContact O-CG2 3.4Å; N294-V298 PolarHBondContact O-N 2.91Å; P295-V298 WeakPolarHBondContact O-CB 3.33Å; P295-V298 PolarHBondContact O-N 3.09Å; P295-V298 VanDerWaalsContact O-N 3.1Å; D296-V298 PolarHBondContact O-N 3.04Å; V298-R300 VanDerWaalsContact C-N 3.27Å; V298-R300 PolarHBondContact O-N 2.99Å; V298-G301 PolarHBondContact O-N 3.44Å |
| 299 | V | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 16.5 Ų | 16.5 | 32% | 0.315 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -57.6 | -41.9 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | D15 S16 Y161 P295 D296 G301 | D15-V299 WeakPolarHBondContact OD1-CA 3.39Å; S16-V299 PolarHBondContact N-O 3.22Å; Y161-V299 HydrophobicContact CD1-CG2 3.81Å; Y161-V299 HydrophobicContact CG-CG2 3.9Å; P295-V299 WeakPolarHBondContact O-CG2 3.27Å; P295-V299 PolarHBondContact O-N 3.05Å; D296-V299 PolarHBondContact O-N 3.12Å; V299-G301 PolarHBondContact O-N 3.07Å |
| 300 | R | 98 | Very high | 98.3 | Very high | 108 Ų | 108 | 17.6 Ų | 17.6 | 41% | 0.408 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6 | 179.8 | -67.5 | 172.7 | 179.3 | -97.2 | 3.8 | 114.6 | D202 D296 V298 H302 | D202-R300 IonicContact OD1-CZ 3.69Å; D202-R300 IonicContact OD1-NE 2.67Å; D202-R300 IonicContact OD1-NH2 3.74Å; D202-R300 PolarHBondContact OD1-NH2 2.85Å; D202-R300 IonicContact OD2-CZ 3.43Å; D202-R300 IonicContact OD2-NE 2.94Å; D202-R300 PolarHBondContact OD2-NE 3.47Å; D202-R300 IonicContact OD2-NH2 2.57Å; D202-R300 PolarHBondContact OD2-NH2 3.1Å; D296-R300 WeakPolarHBondContact O-CB 3.43Å; D296-R300 VanDerWaalsContact O-CG 3.25Å; D296-R300 WeakPolarHBondContact O-CG 3.48Å; D296-R300 PolarHBondContact O-N 3.27Å; V298-R300 VanDerWaalsContact C-N 3.27Å; V298-R300 PolarHBondContact O-N 2.99Å; R300-H302 VanDerWaalsContact C-N 3.33Å |
| 301 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 34.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N18 G297 V298 V299 | N18-G301 PolarHBondContact ND2-O 3.42Å; G297-G301 PolarHBondContact O-N 2.92Å; V298-G301 PolarHBondContact O-N 3.44Å; V299-G301 PolarHBondContact O-N 3.07Å |
| 302 | H | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 17.8 Ų | 17.8 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | trans | -71.9 | 163.2 | 170.9 | -68.3 | -176.7 | 0 | 0 | 0 | 110.9 | D61 C62 P254 G297 R300 T305 D306 | D61-H302 HydrophobicContact CB-CB 4.25Å; D61-H302 VanDerWaalsContact OD1-CA 3.28Å; D61-H302 WeakPolarHBondContact OD1-CA 3.3Å; D61-H302 WeakPolarHBondContact OD1-CB 3.49Å; D61-H302 IonicContact OD1-CG 2.84Å; C62-H302 PolarHBondContact N-CE1 3.31Å; C62-H302 VanDerWaalsContact N-CE1 3.35Å; C62-H302 PolarHBondContact N-NE2 3.13Å; C62-H302 PolarHBondContact SG-CE1 3.21Å; P254-H302 HydrophobicContact CB-CB 4.24Å; P254-H302 WeakPolarHBondContact CB-O 3.27Å; P254-H302 HydrophobicContact CG-CB 4.06Å; G297-H302 VanDerWaalsContact O-CB 3.3Å; G297-H302 WeakPolarHBondContact O-CB 3.27Å; G297-H302 PolarHBondContact O-N 3.43Å; R300-H302 VanDerWaalsContact C-N 3.33Å; H302-T305 PolarHBondContact ND1-O 2.93Å; H302-D306 PolarHBondContact CE1-O 2.89Å; H302-D306 VanDerWaalsContact CE1-O 3.29Å; H302-D306 PolarHBondContact ND1-O 2.8Å | ||
| 303 | Y | 97.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 17.8 Ų | 17.8 | 8% | 0.075 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -97.8 | -40.1 | 172.3 | 179.2 | -112.1 | 0 | 0 | 0 | 112.1 | D61 N71 W74 G255 | D61-Y303 PolarHBondContact OD1-N 2.91Å; N71-Y303 HydrophobicContact CB-CD1 4.49Å; W74-Y303 HydrophobicContact CB-CD2 4.35Å; G255-Y303 PolarHBondContact N-O 3.45Å |
| 304 | R | 97.7 | Very high | 98.1 | Very high | 32 Ų | 32 | 18.9 Ų | 18.9 | 12% | 0.121 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -133.4 | -34.2 | -162.9 | -168.5 | 67.2 | -176.3 | 173.4 | 9.5 | 115.3 | D61 N71 H253 E256 | D61-R304 PolarHBondContact OD2-N 2.67Å; N71-R304 HydrophobicContact CB-CB 4.06Å; H253-R304 VanDerWaalsContact CD2-CZ 3.4Å; H253-R304 PolarHBondContact CD2-NE 3.47Å; H253-R304 PolarHBondContact CD2-O 3.1Å; H253-R304 PolarHBondContact CE1-NH1 2.91Å; H253-R304 PolarHBondContact CE1-NH2 2.84Å; H253-R304 VanDerWaalsContact CG-NH1 3.33Å; H253-R304 PolarHBondContact ND1-NH1 3.06Å; H253-R304 PolarHBondContact NE2-NE 3.1Å; H253-R304 PolarHBondContact NE2-NH1 2.64Å; H253-R304 PolarHBondContact NE2-NH2 3.16Å; E256-R304 IonicContact OE1-CZ 3.39Å; E256-R304 IonicContact OE1-NH1 3.57Å; E256-R304 PolarHBondContact OE1-NH1 3.37Å |
| 305 | T | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 3% | 0.025 | 10% | 0.099 | C | C | . | . | trans | -116.6 | 160.1 | -165 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | D61 N69 N294 H302 G309 V310 | D61-T305 WeakPolarHBondContact CB-OG1 3.4Å; D61-T305 PolarHBondContact OD2-N 3.17Å; D61-T305 PolarHBondContact OD2-OG1 3.19Å; N69-T305 PolarHBondContact ND2-OG1 3.02Å; N69-T305 VanDerWaalsContact ND2-OG1 3.08Å; N294-T305 PolarHBondContact ND2-O 2.77Å; H302-T305 PolarHBondContact ND1-O 2.93Å; T305-G309 VanDerWaalsContact CB-C 3.46Å; T305-G309 VanDerWaalsContact CG2-O 3.32Å; T305-G309 WeakPolarHBondContact CG2-O 3.42Å; T305-V310 WeakPolarHBondContact CA-O 3.43Å; T305-V310 WeakPolarHBondContact CB-O 3.3Å | ||
| 306 | D | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.027 | 10% | 0.099 | C | C | . | . | trans | -70.8 | -167.6 | 171.6 | 70.6 | 1.8 | 0 | 0 | 0 | 112.4 | C62 N294 H302 R308 G309 V310 L312 | C62-D306 PolarHBondContact SG-O 3.33Å; N294-D306 WeakPolarHBondContact ND2-CA 3.36Å; N294-D306 PolarHBondContact ND2-N 3.19Å; H302-D306 PolarHBondContact CE1-O 2.89Å; H302-D306 VanDerWaalsContact CE1-O 3.29Å; H302-D306 PolarHBondContact ND1-O 2.8Å; D306-R308 PolarHBondContact O-N 2.9Å; D306-R308 WeakPolarHBondContact OD1-CA 3.34Å; D306-R308 PolarHBondContact OD1-N 3.17Å; D306-G309 PolarHBondContact O-N 3.3Å; D306-G309 PolarHBondContact OD1-N 3.37Å; D306-G309 VanDerWaalsContact OD1-N 3.14Å; D306-V310 PolarHBondContact N-O 2.93Å; D306-V310 VanDerWaalsContact N-O 3.09Å; D306-V310 WeakPolarHBondContact OD1-CB 3.41Å; D306-V310 PolarHBondContact OD1-N 2.89Å; D306-L312 HydrophobicContact CB-CD1 4.11Å; D306-L312 HydrophobicContact CB-CD2 4.37Å; D306-L312 HydrophobicContact CB-CG 4.12Å; D306-L312 WeakPolarHBondContact OD2-CD2 3.36Å | ||
| 307 | S | 97.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 8% | 0.084 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -7.6 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | L201 D202 | L201-S307 WeakPolarHBondContact CB-OG 3.46Å; D202-S307 WeakPolarHBondContact OD1-CB 2.91Å; D202-S307 PolarHBondContact OD1-OG 3.47Å |
| 308 | R | 97.3 | Very high | 97.8 | Very high | 61 Ų | 61 | 30 Ų | 30 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 17.7 | 175.4 | -66.8 | -177 | 69.1 | -152.8 | 3.6 | 112.8 | Y67 L201 D306 V310 | Y67-R308 VanDerWaalsContact CB-C 3.44Å; Y67-R308 WeakPolarHBondContact CB-O 3.49Å; Y67-R308 HydrophobicContact CD1-CB 4.17Å; Y67-R308 VanDerWaalsContact CD1-O 3.27Å; Y67-R308 WeakPolarHBondContact CD1-O 3.35Å; Y67-R308 HydrophobicContact CD2-CB 4.32Å; Y67-R308 HydrophobicContact CD2-CG 4.3Å; Y67-R308 HydrophobicContact CE1-CB 4.31Å; Y67-R308 HydrophobicContact CE2-CB 4.49Å; Y67-R308 HydrophobicContact CE2-CG 4.11Å; Y67-R308 HydrophobicContact CG-CB 4.19Å; L201-R308 HydrophobicContact CD1-CB 4.41Å; L201-R308 HydrophobicContact CD1-CG 3.81Å; D306-R308 PolarHBondContact O-N 2.9Å; D306-R308 WeakPolarHBondContact OD1-CA 3.34Å; D306-R308 PolarHBondContact OD1-N 3.17Å; R308-V310 HydrophobicContact CB-CG2 4.27Å; R308-V310 PolarHBondContact O-N 3.33Å |
| 309 | G | 96.9 | Very high | 97.8 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 24% | 0.237 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 69.9 | 15 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C62 N69 T305 D306 | C62-G309 PolarHBondContact SG-N 2.77Å; N69-G309 WeakPolarHBondContact ND2-CA 3.41Å; T305-G309 VanDerWaalsContact CB-C 3.46Å; T305-G309 VanDerWaalsContact CG2-O 3.32Å; T305-G309 WeakPolarHBondContact CG2-O 3.42Å; D306-G309 PolarHBondContact O-N 3.3Å; D306-G309 PolarHBondContact OD1-N 3.37Å; D306-G309 VanDerWaalsContact OD1-N 3.14Å |
| 310 | V | 97.1 | Very high | 97.7 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | trans | -86.6 | 132.6 | -179 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | T305 D306 R308 L312 Q315 | T305-V310 WeakPolarHBondContact CA-O 3.43Å; T305-V310 WeakPolarHBondContact CB-O 3.3Å; D306-V310 PolarHBondContact N-O 2.93Å; D306-V310 VanDerWaalsContact N-O 3.09Å; D306-V310 WeakPolarHBondContact OD1-CB 3.41Å; D306-V310 PolarHBondContact OD1-N 2.89Å; R308-V310 HydrophobicContact CB-CG2 4.27Å; R308-V310 PolarHBondContact O-N 3.33Å; V310-L312 HydrophobicContact CG1-CD2 4.48Å; V310-L312 PolarHBondContact O-N 3.44Å; V310-Q315 HydrophobicContact CG1-CG 3.7Å | ||
| 311 | N | 97.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | trans | -78.4 | 95.4 | 166.6 | -179.1 | -9.9 | 0 | 0 | 0 | 108.8 | H253 N313 R314 | H253-N311 PolarHBondContact NE2-OD1 3.26Å; H253-N311 VanDerWaalsContact NE2-OD1 3.15Å; N311-N313 PolarHBondContact O-N 2.79Å; N311-N313 VanDerWaalsContact O-N 3.16Å; N311-N313 PolarHBondContact OD1-N 2.76Å; N311-R314 HydrophobicContact CB-CG 4.2Å; N311-R314 WeakPolarHBondContact O-CB 3.41Å; N311-R314 PolarHBondContact O-N 3.01Å | ||
| 312 | L | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -58 | -29.5 | -175.6 | -70.1 | -179.4 | 0 | 0 | 0 | 113.5 | V252 N294 D306 V310 R314 Q315 H324 I327 | V252-L312 HydrophobicContact CG2-CB 3.49Å; V252-L312 VanDerWaalsContact CG2-CB 3.49Å; N294-L312 HydrophobicContact CB-CD1 3.88Å; D306-L312 HydrophobicContact CB-CD1 4.11Å; D306-L312 HydrophobicContact CB-CD2 4.37Å; D306-L312 HydrophobicContact CB-CG 4.12Å; D306-L312 WeakPolarHBondContact OD2-CD2 3.36Å; V310-L312 HydrophobicContact CG1-CD2 4.48Å; V310-L312 PolarHBondContact O-N 3.44Å; L312-R314 PolarHBondContact O-N 3.25Å; L312-Q315 PolarHBondContact O-N 3.45Å; L312-Q315 VanDerWaalsContact O-N 3.09Å; L312-H324 HydrophobicContact CD2-CB 4.47Å; L312-I327 HydrophobicContact CB-CD1 3.94Å; L312-I327 HydrophobicContact CB-CG1 3.89Å; L312-I327 HydrophobicContact CD1-CG1 4.49Å; L312-I327 HydrophobicContact CD2-CG1 4.03Å; L312-I327 HydrophobicContact CG-CG1 4.36Å |
| 313 | N | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -78.1 | 26.2 | 174.6 | -163.1 | 25.6 | 0 | 0 | 0 | 113.5 | V252 H253 N311 H439 S503 G504 | V252-N313 HydrophobicContact CG1-CB 3.92Å; V252-N313 HydrophobicContact CG2-CB 4.02Å; H253-N313 WeakPolarHBondContact NE2-CB 3.48Å; N311-N313 PolarHBondContact O-N 2.79Å; N311-N313 VanDerWaalsContact O-N 3.16Å; N311-N313 PolarHBondContact OD1-N 2.76Å; N313-H439 PolarHBondContact ND2-CE1 3.18Å; N313-S503 VanDerWaalsContact O-CA 3.25Å; N313-S503 WeakPolarHBondContact O-CA 3.16Å; N313-S503 VanDerWaalsContact OD1-CA 3.28Å; N313-S503 WeakPolarHBondContact OD1-CA 3.42Å; N313-S503 WeakPolarHBondContact OD1-CB 3.33Å; N313-G504 PolarHBondContact OD1-N 2.98Å |
| 314 | R | 97.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -124.9 | -2.5 | 167.1 | -62.3 | -67 | -178.4 | -77.2 | -5.6 | 112.5 | N311 L312 Q498 S499 G502 | N311-R314 HydrophobicContact CB-CG 4.2Å; N311-R314 WeakPolarHBondContact O-CB 3.41Å; N311-R314 PolarHBondContact O-N 3.01Å; L312-R314 PolarHBondContact O-N 3.25Å; R314-Q498 HydrophobicContact CB-CB 4.33Å; R314-Q498 HydrophobicContact CG-CB 3.87Å; R314-Q498 VanDerWaalsContact CG-OE1 3.28Å; R314-S499 WeakPolarHBondContact CD-O 3.32Å; R314-G502 CarbonylContact C-O 3.59Å; R314-G502 VanDerWaalsContact CA-O 3.23Å; R314-G502 WeakPolarHBondContact CA-O 3.48Å; R314-G502 WeakPolarHBondContact O-CA 3.31Å |
| 315 | Q | 97.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 17% | 0.173 | 18% | 0.184 | C | C | . | . | trans | -102.9 | 4.4 | -169.9 | -53.2 | -51.8 | -43.2 | 0 | 0 | 113.7 | V310 L312 L317 N318 P319 H324 I327 G502 | V310-Q315 HydrophobicContact CG1-CG 3.7Å; L312-Q315 PolarHBondContact O-N 3.45Å; L312-Q315 VanDerWaalsContact O-N 3.09Å; Q315-L317 VanDerWaalsContact C-N 3.3Å; Q315-L317 PolarHBondContact O-N 3.19Å; Q315-N318 CarbonylContact O-C 3.53Å; Q315-P319 VanDerWaalsContact O-CA 3.3Å; Q315-P319 WeakPolarHBondContact O-CA 3.21Å; Q315-P319 WeakPolarHBondContact O-CB 3.4Å; Q315-P319 VanDerWaalsContact O-CD 3.27Å; Q315-P319 WeakPolarHBondContact O-CD 3.41Å; Q315-H324 HydrophobicContact CB-CB 4.45Å; Q315-H324 PolarHBondContact OE1-CE1 2.77Å; Q315-H324 VanDerWaalsContact OE1-CE1 3.22Å; Q315-I327 HydrophobicContact CB-CG2 4.44Å; Q315-G502 PolarHBondContact N-O 3.14Å | ||
| 316 | Y | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -73.6 | -16.4 | -175.3 | -79.3 | -100.1 | 0 | 0 | 0 | 114.2 | L293 I327 A330 K331 Y435 G502 G504 A507 V508 | L293-Y316 WeakPolarHBondContact CD1-OH 3.37Å; Y316-I327 HydrophobicContact CD1-CG2 3.76Å; Y316-I327 HydrophobicContact CD2-CG2 3.59Å; Y316-I327 HydrophobicContact CE1-CG2 3.94Å; Y316-I327 HydrophobicContact CE2-CD1 3.71Å; Y316-I327 HydrophobicContact CE2-CG1 4.5Å; Y316-I327 HydrophobicContact CE2-CG2 3.78Å; Y316-I327 HydrophobicContact CG-CG2 3.58Å; Y316-A330 HydrophobicContact CE1-CB 4.39Å; Y316-K331 VanDerWaalsContact O-CD 3.31Å; Y316-K331 WeakPolarHBondContact O-CD 3.34Å; Y316-K331 WeakPolarHBondContact O-CE 3.3Å; Y316-K331 PolarHBondContact O-NZ 3.24Å; Y316-Y435 PolarHBondContact OH-OH 3.31Å; Y316-G502 WeakPolarHBondContact CB-O 3.43Å; Y316-G502 PolarHBondContact N-O 2.73Å; Y316-G502 VanDerWaalsContact N-O 3.08Å; Y316-G504 VanDerWaalsContact CD2-CA 3.44Å; Y316-G504 VanDerWaalsContact CD2-N 3.31Å; Y316-A507 VanDerWaalsContact CB-CB 3.46Å; Y316-V508 HydrophobicContact CD1-CG2 4.34Å |
| 317 | L | 97.2 | Very high | 97.8 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 31% | 0.314 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -65.4 | -51 | 175.6 | -76.4 | 171.3 | 0 | 0 | 0 | 111 | Q315 K331 E501 A507 | Q315-L317 VanDerWaalsContact C-N 3.3Å; Q315-L317 PolarHBondContact O-N 3.19Å; L317-K331 PolarHBondContact O-NZ 3.01Å; L317-E501 HydrophobicContact CD1-CB 4.39Å; L317-E501 HydrophobicContact CD1-CG 3.99Å; L317-E501 HydrophobicContact CD2-CG 4.34Å; L317-A507 HydrophobicContact CD2-CB 4.01Å; L317-A507 HydrophobicContact CG-CB 4.25Å |
| 318 | N | 96.4 | Very high | 97.8 | Very high | 144 Ų | 144 | 35.4 Ų | 35.4 | 77% | 0.77 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -141.7 | 69.7 | -179.3 | -66.5 | -40.8 | 0 | 0 | 0 | 110 | Q315 | Q315-N318 CarbonylContact O-C 3.53Š|
| 319 | P | 97.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | trans | -68.9 | 137.6 | 179.7 | 28.6 | -33 | 0 | 0 | 0 | 110.1 | Q315 H324 I327 K331 | Q315-P319 VanDerWaalsContact O-CA 3.3Å; Q315-P319 WeakPolarHBondContact O-CA 3.21Å; Q315-P319 WeakPolarHBondContact O-CB 3.4Å; Q315-P319 VanDerWaalsContact O-CD 3.27Å; Q315-P319 WeakPolarHBondContact O-CD 3.41Å; P319-H324 HydrophobicContact CB-CB 4.3Å; P319-I327 HydrophobicContact CB-CB 4.14Å; P319-I327 HydrophobicContact CB-CG2 3.89Å; P319-I327 HydrophobicContact CG-CG2 4.38Å; P319-K331 HydrophobicContact CG-CB 4.25Å; P319-K331 HydrophobicContact CG-CD 3.81Å | ||
| 320 | N | 97.9 | Very high | 98 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 32% | 0.321 | 16% | 0.163 | S | C | . | . | trans | -94.8 | 131.9 | 174.5 | 174.6 | -74.6 | 0 | 0 | 0 | 108.7 | E322 L323 H324 | N320-E322 VanDerWaalsContact C-N 3.27Å; N320-E322 PolarHBondContact O-N 3.18Å; N320-E322 WeakPolarHBondContact OD1-CA 3.32Å; N320-E322 WeakPolarHBondContact OD1-CB 3.39Å; N320-E322 PolarHBondContact OD1-N 2.84Å; N320-E322 PolarHBondContact OD1-OE2 3.36Å; N320-L323 HydrophobicContact CB-CB 4.17Å; N320-L323 HydrophobicContact CB-CD1 4.46Å; N320-L323 HydrophobicContact CB-CG 4.23Å; N320-L323 PolarHBondContact O-N 2.8Å; N320-L323 WeakPolarHBondContact OD1-CG 3.47Å; N320-L323 PolarHBondContact OD1-N 3.31Å; N320-H324 CarbonylContact O-C 3.34Å; N320-H324 WeakPolarHBondContact O-CA 3.34Å; N320-H324 PolarHBondContact O-N 3.42Å | ||
| 321 | P | 97.1 | Very high | 98.1 | Very high | 34 Ų | 34 | 32 Ų | 32 | 22% | 0.221 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.9 | -176.1 | 11.2 | -14.2 | 0 | 0 | 0 | 114 | K227 P325 Y328 | K227-P321 HydrophobicContact CB-CB 4.28Å; K227-P321 HydrophobicContact CG-CB 4.28Å; P321-P325 VanDerWaalsContact O-CA 3.3Å; P321-P325 WeakPolarHBondContact O-CA 3.49Å; P321-P325 WeakPolarHBondContact O-CB 3.5Å; P321-Y328 HydrophobicContact CB-CD1 3.72Å; P321-Y328 HydrophobicContact CB-CD2 3.95Å; P321-Y328 HydrophobicContact CB-CE1 3.97Å; P321-Y328 HydrophobicContact CB-CE2 4.19Å; P321-Y328 HydrophobicContact CB-CG 3.71Å; P321-Y328 HydrophobicContact CG-CD1 4.47Å; P321-Y328 HydrophobicContact CG-CD2 3.95Å; P321-Y328 HydrophobicContact CG-CE1 4.43Å; P321-Y328 HydrophobicContact CG-CE2 3.9Å; P321-Y328 HydrophobicContact CG-CG 4.24Å |
| 322 | E | 97.5 | Very high | 98.1 | Very high | 100 Ų | 100 | 32.5 Ų | 32.5 | 47% | 0.467 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -32.7 | 179.4 | -66 | 71.8 | -161.4 | 0 | 0 | 112.6 | L201 K227 N320 | L201-E322 WeakPolarHBondContact CD2-O 3.5Å; K227-E322 IonicContact NZ-OE1 3.69Å; K227-E322 PolarHBondContact NZ-OE1 2.73Å; K227-E322 VanDerWaalsContact NZ-OE1 3.11Å; N320-E322 VanDerWaalsContact C-N 3.27Å; N320-E322 PolarHBondContact O-N 3.18Å; N320-E322 WeakPolarHBondContact OD1-CA 3.32Å; N320-E322 WeakPolarHBondContact OD1-CB 3.39Å; N320-E322 PolarHBondContact OD1-N 2.84Å; N320-E322 PolarHBondContact OD1-OE2 3.36Å |
| 323 | L | 97.8 | Very high | 98.1 | Very high | 71 Ų | 71 | 32.2 Ų | 32.2 | 37% | 0.372 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -31.7 | -179 | -49.8 | -176.3 | 0 | 0 | 0 | 113.6 | N320 P325 | N320-L323 HydrophobicContact CB-CB 4.17Å; N320-L323 HydrophobicContact CB-CD1 4.46Å; N320-L323 HydrophobicContact CB-CG 4.23Å; N320-L323 PolarHBondContact O-N 2.8Å; N320-L323 WeakPolarHBondContact OD1-CG 3.47Å; N320-L323 PolarHBondContact OD1-N 3.31Å; L323-P325 VanDerWaalsContact C-CD 3.41Å |
| 324 | H | 98.3 | Very high | 98.1 | Very high | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -131 | 51.8 | -174.7 | -45.4 | 134.2 | 0 | 0 | 0 | 110.8 | L312 Q315 P319 N320 S326 I327 Y328 | L312-H324 HydrophobicContact CD2-CB 4.47Å; Q315-H324 HydrophobicContact CB-CB 4.45Å; Q315-H324 PolarHBondContact OE1-CE1 2.77Å; Q315-H324 VanDerWaalsContact OE1-CE1 3.22Å; P319-H324 HydrophobicContact CB-CB 4.3Å; N320-H324 CarbonylContact O-C 3.34Å; N320-H324 WeakPolarHBondContact O-CA 3.34Å; N320-H324 PolarHBondContact O-N 3.42Å; H324-S326 VanDerWaalsContact C-N 3.34Å; H324-S326 PolarHBondContact O-N 3.38Å; H324-I327 HydrophobicContact CB-CB 4.28Å; H324-I327 PolarHBondContact O-N 3.04Å; H324-Y328 PolarHBondContact O-N 3.06Å |
| 325 | P | 98.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | -167.2 | 19 | -32.5 | 0 | 0 | 0 | 113.5 | N199 L201 P321 L323 I327 Y328 A329 | N199-P325 WeakPolarHBondContact O-CB 3.47Å; N199-P325 WeakPolarHBondContact O-CG 3.41Å; L201-P325 HydrophobicContact CD2-CG 4.31Å; P321-P325 VanDerWaalsContact O-CA 3.3Å; P321-P325 WeakPolarHBondContact O-CA 3.49Å; P321-P325 WeakPolarHBondContact O-CB 3.5Å; L323-P325 VanDerWaalsContact C-CD 3.41Å; P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.89Å; P325-Y328 PolarHBondContact O-N 3.42Å; P325-A329 VanDerWaalsContact O-CB 3.27Å; P325-A329 WeakPolarHBondContact O-CB 3.38Å; P325-A329 PolarHBondContact O-N 2.82Å |
| 326 | S | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -34.2 | -179 | 60.9 | 0 | 0 | 0 | 0 | 113.5 | L293 H324 A330 | L293-S326 WeakPolarHBondContact O-CB 3.49Å; L293-S326 PolarHBondContact O-OG 3.32Å; H324-S326 VanDerWaalsContact C-N 3.34Å; H324-S326 PolarHBondContact O-N 3.38Å; S326-A330 WeakPolarHBondContact O-CB 3.2Å; S326-A330 PolarHBondContact O-N 2.85Å |
| 327 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.6 | -39.1 | 179.8 | -52.4 | -55.2 | 0 | 0 | 0 | 110.7 | V252 L293 L312 Q315 Y316 P319 H324 P325 A329 K331 | V252-I327 HydrophobicContact CG2-CD1 4Å; L293-I327 HydrophobicContact CD1-CD1 4.43Å; L293-I327 HydrophobicContact CD2-CD1 4.34Å; L312-I327 HydrophobicContact CB-CD1 3.94Å; L312-I327 HydrophobicContact CB-CG1 3.89Å; L312-I327 HydrophobicContact CD1-CG1 4.49Å; L312-I327 HydrophobicContact CD2-CG1 4.03Å; L312-I327 HydrophobicContact CG-CG1 4.36Å; Q315-I327 HydrophobicContact CB-CG2 4.44Å; Y316-I327 HydrophobicContact CD1-CG2 3.76Å; Y316-I327 HydrophobicContact CD2-CG2 3.59Å; Y316-I327 HydrophobicContact CE1-CG2 3.94Å; Y316-I327 HydrophobicContact CE2-CD1 3.71Å; Y316-I327 HydrophobicContact CE2-CG1 4.5Å; Y316-I327 HydrophobicContact CE2-CG2 3.78Å; Y316-I327 HydrophobicContact CG-CG2 3.58Å; P319-I327 HydrophobicContact CB-CB 4.14Å; P319-I327 HydrophobicContact CB-CG2 3.89Å; P319-I327 HydrophobicContact CG-CG2 4.38Å; H324-I327 HydrophobicContact CB-CB 4.28Å; H324-I327 PolarHBondContact O-N 3.04Å; P325-I327 VanDerWaalsContact C-N 3.35Å; P325-I327 PolarHBondContact O-N 2.89Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.14Å; I327-K331 WeakPolarHBondContact O-CB 3.24Å; I327-K331 PolarHBondContact O-N 2.88Å |
| 328 | Y | 98.8 | Very high | 97.9 | Very high | 31 Ų | 31 | 30.5 Ų | 30.5 | 12% | 0.122 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 169.2 | 176 | -91.9 | 0 | 0 | 0 | 110.1 | K227 L228 P321 H324 P325 K331 A332 | K227-Y328 HydrophobicContact CB-CE1 4.22Å; L228-Y328 HydrophobicContact CD2-CD1 4.09Å; L228-Y328 HydrophobicContact CD2-CE1 4.3Å; L228-Y328 HydrophobicContact CG-CE1 4.41Å; P321-Y328 HydrophobicContact CB-CD1 3.72Å; P321-Y328 HydrophobicContact CB-CD2 3.95Å; P321-Y328 HydrophobicContact CB-CE1 3.97Å; P321-Y328 HydrophobicContact CB-CE2 4.19Å; P321-Y328 HydrophobicContact CB-CG 3.71Å; P321-Y328 HydrophobicContact CG-CD1 4.47Å; P321-Y328 HydrophobicContact CG-CD2 3.95Å; P321-Y328 HydrophobicContact CG-CE1 4.43Å; P321-Y328 HydrophobicContact CG-CE2 3.9Å; P321-Y328 HydrophobicContact CG-CG 4.24Å; H324-Y328 PolarHBondContact O-N 3.06Å; P325-Y328 PolarHBondContact O-N 3.42Å; Y328-K331 PolarHBondContact O-N 3.22Å; Y328-A332 HydrophobicContact CE1-CB 4.44Å; Y328-A332 VanDerWaalsContact O-CB 3.3Å; Y328-A332 WeakPolarHBondContact O-CB 3.28Å; Y328-A332 PolarHBondContact O-N 3.48Å |
| 329 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L197 L228 P325 I327 K331 A332 L333 | L197-A329 HydrophobicContact CD1-CB 3.9Å; L197-A329 HydrophobicContact CD2-CB 3.65Å; L197-A329 HydrophobicContact CG-CB 3.58Å; L228-A329 HydrophobicContact CD1-CB 4.01Å; L228-A329 HydrophobicContact CD2-CB 3.37Å; L228-A329 HydrophobicContact CG-CB 4.36Å; P325-A329 VanDerWaalsContact O-CB 3.27Å; P325-A329 WeakPolarHBondContact O-CB 3.38Å; P325-A329 PolarHBondContact O-N 2.82Å; I327-A329 VanDerWaalsContact C-N 3.3Å; I327-A329 PolarHBondContact O-N 3.14Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 3.09Å; A329-A332 PolarHBondContact O-N 3.44Å; A329-L333 WeakPolarHBondContact O-CG 3.43Å; A329-L333 PolarHBondContact O-N 2.96Å |
| 330 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F247 I290 L293 Y316 S326 L334 | F247-A330 HydrophobicContact CE1-CB 4.4Å; F247-A330 HydrophobicContact CZ-CB 4.06Å; I290-A330 HydrophobicContact CD1-CB 3.9Å; L293-A330 HydrophobicContact CD2-CB 4.26Å; Y316-A330 HydrophobicContact CE1-CB 4.39Å; S326-A330 WeakPolarHBondContact O-CB 3.2Å; S326-A330 PolarHBondContact O-N 2.85Å; A330-L334 WeakPolarHBondContact O-CD1 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.3Å; A330-L334 PolarHBondContact O-N 3.37Å; A330-L334 VanDerWaalsContact O-N 3.09Å |
| 331 | K | 98.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 178.5 | -173.7 | 176.4 | -174.6 | 170.4 | 0 | 112.3 | Y316 L317 P319 I327 Y328 A329 L333 L334 L335 | Y316-K331 VanDerWaalsContact O-CD 3.31Å; Y316-K331 WeakPolarHBondContact O-CD 3.34Å; Y316-K331 WeakPolarHBondContact O-CE 3.3Å; Y316-K331 PolarHBondContact O-NZ 3.24Å; L317-K331 PolarHBondContact O-NZ 3.01Å; P319-K331 HydrophobicContact CG-CB 4.25Å; P319-K331 HydrophobicContact CG-CD 3.81Å; I327-K331 WeakPolarHBondContact O-CB 3.24Å; I327-K331 PolarHBondContact O-N 2.88Å; Y328-K331 PolarHBondContact O-N 3.22Å; A329-K331 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-N 3.09Å; K331-L333 VanDerWaalsContact C-N 3.34Å; K331-L333 PolarHBondContact O-N 3.02Å; K331-L334 PolarHBondContact O-N 3.19Å; K331-L335 HydrophobicContact CG-CD1 4.03Å; K331-L335 HydrophobicContact CG-CG 4.44Å; K331-L335 WeakPolarHBondContact O-CG 3.43Å; K331-L335 PolarHBondContact O-N 3.28Å |
| 332 | A | 98.6 | Very high | 96.6 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L225 L228 Y328 A329 L335 Y336 | L225-A332 HydrophobicContact CD1-CB 4.33Å; L228-A332 HydrophobicContact CD1-CB 3.95Å; Y328-A332 HydrophobicContact CE1-CB 4.44Å; Y328-A332 VanDerWaalsContact O-CB 3.3Å; Y328-A332 WeakPolarHBondContact O-CB 3.28Å; Y328-A332 PolarHBondContact O-N 3.48Å; A329-A332 PolarHBondContact O-N 3.44Å; A332-L335 PolarHBondContact O-N 3.03Å; A332-Y336 VanDerWaalsContact O-CB 3.3Å; A332-Y336 WeakPolarHBondContact O-CB 3.37Å; A332-Y336 PolarHBondContact O-N 3.09Å |
| 333 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -44.8 | 173.4 | -77.9 | 172.6 | 0 | 0 | 0 | 112.4 | L197 L208 L225 F229 F247 A329 K331 Y336 H337 | L197-L333 HydrophobicContact CD1-CD1 3.65Å; L197-L333 HydrophobicContact CD1-CG 4.25Å; L197-L333 HydrophobicContact CD2-CD1 3.97Å; L197-L333 HydrophobicContact CG-CD1 4.48Å; L208-L333 HydrophobicContact CD1-CD1 4.01Å; L208-L333 HydrophobicContact CD2-CD1 3.8Å; L208-L333 HydrophobicContact CD2-CD2 4.27Å; L208-L333 HydrophobicContact CG-CD1 4.48Å; L225-L333 HydrophobicContact CD1-CD2 4.11Å; F229-L333 HydrophobicContact CE2-CD2 4.4Å; F229-L333 HydrophobicContact CZ-CD2 3.77Å; F229-L333 HydrophobicContact CZ-CG 4.49Å; F247-L333 HydrophobicContact CE2-CB 3.9Å; F247-L333 HydrophobicContact CE2-CD1 4.15Å; A329-L333 WeakPolarHBondContact O-CG 3.43Å; A329-L333 PolarHBondContact O-N 2.96Å; K331-L333 VanDerWaalsContact C-N 3.34Å; K331-L333 PolarHBondContact O-N 3.02Å; L333-Y336 PolarHBondContact O-N 3.39Å; L333-H337 WeakPolarHBondContact O-CB 3.43Å; L333-H337 PolarHBondContact O-CD2 2.72Å; L333-H337 PolarHBondContact O-N 3.16Å |
| 334 | L | 98.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 178.2 | -76.8 | 160.6 | 0 | 0 | 0 | 111.9 | F247 A330 K331 H338 V432 Y435 V508 | F247-L334 HydrophobicContact CB-CD2 3.73Å; F247-L334 HydrophobicContact CD1-CD1 4.45Å; F247-L334 HydrophobicContact CD1-CD2 4.23Å; F247-L334 HydrophobicContact CD1-CG 4.43Å; F247-L334 HydrophobicContact CD2-CD2 3.78Å; F247-L334 HydrophobicContact CD2-CG 3.93Å; F247-L334 HydrophobicContact CE1-CD1 4.43Å; F247-L334 HydrophobicContact CE2-CD2 4.44Å; F247-L334 HydrophobicContact CE2-CG 4.09Å; F247-L334 HydrophobicContact CG-CD2 3.65Å; F247-L334 HydrophobicContact CG-CG 4.1Å; F247-L334 HydrophobicContact CZ-CG 4.39Å; A330-L334 WeakPolarHBondContact O-CD1 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.3Å; A330-L334 PolarHBondContact O-N 3.37Å; A330-L334 VanDerWaalsContact O-N 3.09Å; K331-L334 PolarHBondContact O-N 3.19Å; L334-H338 VanDerWaalsContact O-CB 3.28Å; L334-H338 WeakPolarHBondContact O-CB 3.37Å; L334-H338 PolarHBondContact O-N 3.21Å; L334-V432 HydrophobicContact CD2-CG1 3.99Å; L334-V432 HydrophobicContact CD2-CG2 4.23Å; L334-Y435 HydrophobicContact CD1-CD2 3.67Å; L334-Y435 HydrophobicContact CD1-CE2 3.76Å; L334-Y435 HydrophobicContact CD1-CG 4.43Å; L334-Y435 HydrophobicContact CD2-CD2 3.96Å; L334-Y435 HydrophobicContact CD2-CG 4.48Å; L334-Y435 HydrophobicContact CG-CD2 4.43Å; L334-V508 HydrophobicContact CD1-CB 4.44Å; L334-V508 HydrophobicContact CD1-CG1 3.96Å; L334-V508 HydrophobicContact CD1-CG2 3.54Å; L334-V508 HydrophobicContact CD2-CG1 4.35Å |
| 335 | L | 97.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176 | -69.1 | 168.1 | 0 | 0 | 0 | 111.7 | K331 A332 H338 T339 A511 I512 | K331-L335 HydrophobicContact CG-CD1 4.03Å; K331-L335 HydrophobicContact CG-CG 4.44Å; K331-L335 WeakPolarHBondContact O-CG 3.43Å; K331-L335 PolarHBondContact O-N 3.28Å; A332-L335 PolarHBondContact O-N 3.03Å; L335-H338 PolarHBondContact O-N 3.26Å; L335-T339 PolarHBondContact O-N 3.03Å; L335-T339 PolarHBondContact O-OG1 3.19Å; L335-A511 HydrophobicContact CD2-CB 4.26Å; L335-I512 HydrophobicContact CD2-CG2 3.61Å |
| 336 | Y | 96.9 | Very high | 88.6 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -51 | 177 | 171.1 | -101.8 | 0 | 0 | 0 | 111.7 | T223 L225 A332 L333 H338 T339 H340 | T223-Y336 HydrophobicContact CG2-CD2 4.15Å; T223-Y336 HydrophobicContact CG2-CE2 3.45Å; T223-Y336 VanDerWaalsContact CG2-CE2 3.45Å; L225-Y336 HydrophobicContact CD1-CG 4.19Å; L225-Y336 HydrophobicContact CD2-CD2 3.69Å; L225-Y336 HydrophobicContact CD2-CE2 4.34Å; L225-Y336 HydrophobicContact CD2-CG 3.96Å; A332-Y336 VanDerWaalsContact O-CB 3.3Å; A332-Y336 WeakPolarHBondContact O-CB 3.37Å; A332-Y336 PolarHBondContact O-N 3.09Å; L333-Y336 PolarHBondContact O-N 3.39Å; Y336-H338 VanDerWaalsContact C-N 3.3Å; Y336-H338 PolarHBondContact O-N 2.75Å; Y336-T339 PolarHBondContact O-N 3.49Å; Y336-T339 PolarHBondContact O-OG1 3.2Å; Y336-H340 HydrophobicContact CD2-CB 4.45Å; Y336-H340 AromaticContact CD2-CE1 3.61Å; Y336-H340 AromaticContact CD2-CG 3.8Å; Y336-H340 AromaticContact CD2-ND1 3.38Å; Y336-H340 WeakPolarHBondContact CD2-ND1 3.42Å; Y336-H340 HydrophobicContact CE1-CB 4.39Å; Y336-H340 HydrophobicContact CE2-CB 4.06Å; Y336-H340 AromaticContact CE2-CD2 3.6Å; Y336-H340 AromaticContact CE2-CE1 3.72Å; Y336-H340 AromaticContact CE2-CG 3.47Å; Y336-H340 VanDerWaalsContact CE2-CG 3.47Å; Y336-H340 AromaticContact CE2-ND1 3.54Å; Y336-H340 AromaticContact CE2-NE2 3.75Å; Y336-H340 AromaticContact CZ-CG 3.95Å; Y336-H340 WeakPolarHBondContact O-CB 3.27Å; Y336-H340 PolarHBondContact O-N 3.07Å; Y336-H340 PolarHBondContact O-ND1 3.44Å |
| 337 | H | 96.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.4 | -25.4 | -178.8 | -73.3 | -61.4 | 0 | 0 | 0 | 113 | E222 V245 K288 L333 T339 N341 G431 V432 | E222-H337 IonicContact OE1-CE1 3.65Å; E222-H337 IonicContact OE2-CE1 3.67Å; E222-H337 IonicContact OE2-NE2 3.88Å; V245-H337 HydrophobicContact CB-CB 4.22Å; V245-H337 HydrophobicContact CG2-CB 3.72Å; K288-H337 VanDerWaalsContact CE-NE2 3.28Å; K288-H337 WeakPolarHBondContact CE-NE2 3.5Å; L333-H337 WeakPolarHBondContact O-CB 3.43Å; L333-H337 PolarHBondContact O-CD2 2.72Å; L333-H337 PolarHBondContact O-N 3.16Å; H337-T339 PolarHBondContact O-N 3.44Å; H337-N341 PolarHBondContact ND1-OD1 2.99Å; H337-N341 WeakPolarHBondContact O-CB 3.44Å; H337-N341 PolarHBondContact O-N 2.86Å; H337-G431 CarbonylContact O-C 3.54Å; H337-G431 VanDerWaalsContact O-CA 3.23Å; H337-G431 WeakPolarHBondContact O-CA 3.1Å; H337-V432 HydrophobicContact CB-CG2 4.04Å |
| 338 | H | 95.6 | Very high | 82.1 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 171.4 | -178.1 | 67.2 | 0 | 0 | 0 | 111.5 | L334 L335 Y336 V425 G430 G431 V432 I512 | L334-H338 VanDerWaalsContact O-CB 3.28Å; L334-H338 WeakPolarHBondContact O-CB 3.37Å; L334-H338 PolarHBondContact O-N 3.21Å; L335-H338 PolarHBondContact O-N 3.26Å; Y336-H338 VanDerWaalsContact C-N 3.3Å; Y336-H338 PolarHBondContact O-N 2.75Å; H338-V425 PolarHBondContact NE2-O 2.97Å; H338-G430 WeakPolarHBondContact CE1-CA 3.15Å; H338-G430 WeakPolarHBondContact ND1-CA 3.27Å; H338-G430 WeakPolarHBondContact O-CA 3.49Å; H338-G431 PolarHBondContact O-N 3.15Å; H338-V432 HydrophobicContact CB-CG2 4.29Å; H338-I512 HydrophobicContact CB-CB 4.19Å; H338-I512 HydrophobicContact CB-CD1 4.19Å; H338-I512 HydrophobicContact CB-CG2 3.85Å; H338-I512 PolarHBondContact CE1-O 2.95Å; H338-I512 VanDerWaalsContact CE1-O 3.24Å |
| 339 | T | 93.4 | Very high | 78.7 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -92 | -30.9 | -176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | L335 Y336 H337 R342 V425 | L335-T339 PolarHBondContact O-N 3.03Å; L335-T339 PolarHBondContact O-OG1 3.19Å; Y336-T339 PolarHBondContact O-N 3.49Å; Y336-T339 PolarHBondContact O-OG1 3.2Å; H337-T339 PolarHBondContact O-N 3.44Å; T339-R342 WeakPolarHBondContact O-CD 3.43Å; T339-R342 WeakPolarHBondContact O-CG 3.29Å; T339-V425 HydrophobicContact CG2-CG2 4.2Å |
| 340 | H | 90.9 | Very high | 75.3 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 39% | 0.389 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -103.4 | -8.8 | -169.6 | -65.3 | 74.4 | 0 | 0 | 0 | 115.6 | Y336 | Y336-H340 HydrophobicContact CD2-CB 4.45Å; Y336-H340 AromaticContact CD2-CE1 3.61Å; Y336-H340 AromaticContact CD2-CG 3.8Å; Y336-H340 AromaticContact CD2-ND1 3.38Å; Y336-H340 WeakPolarHBondContact CD2-ND1 3.42Å; Y336-H340 HydrophobicContact CE1-CB 4.39Å; Y336-H340 HydrophobicContact CE2-CB 4.06Å; Y336-H340 AromaticContact CE2-CD2 3.6Å; Y336-H340 AromaticContact CE2-CE1 3.72Å; Y336-H340 AromaticContact CE2-CG 3.47Å; Y336-H340 VanDerWaalsContact CE2-CG 3.47Å; Y336-H340 AromaticContact CE2-ND1 3.54Å; Y336-H340 AromaticContact CE2-NE2 3.75Å; Y336-H340 AromaticContact CZ-CG 3.95Å; Y336-H340 WeakPolarHBondContact O-CB 3.27Å; Y336-H340 PolarHBondContact O-N 3.07Å; Y336-H340 PolarHBondContact O-ND1 3.44Å |
| 341 | N | 90.6 | Very high | 72 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.043 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -112.4 | 31.3 | 176 | -75.7 | 78.9 | 0 | 0 | 0 | 111.8 | F240 K243 V245 H337 G431 | F240-N341 PolarHBondContact O-ND2 3.17Å; K243-N341 PolarHBondContact O-ND2 3.11Å; V245-N341 HydrophobicContact CG2-CB 4.38Å; H337-N341 PolarHBondContact ND1-OD1 2.99Å; H337-N341 WeakPolarHBondContact O-CB 3.44Å; H337-N341 PolarHBondContact O-N 2.86Å; N341-G431 VanDerWaalsContact C-CA 3.45Å; N341-G431 WeakPolarHBondContact O-CA 3.44Å |
| 342 | R | 85.4 | Confident | 68.6 | Low | 65 Ų | 65 | 79.6 Ų | 79.6 | 25% | 0.245 | 44% | 0.437 | C | S | . | . | trans | -65.3 | 136 | 179.2 | -63.3 | 174.9 | 70.1 | -175.4 | 2.6 | 109.4 | T339 H344 V425 E429 | T339-R342 WeakPolarHBondContact O-CD 3.43Å; T339-R342 WeakPolarHBondContact O-CG 3.29Å; R342-H344 PolarHBondContact O-N 2.97Å; R342-V425 HydrophobicContact CG-CG1 4.21Å; R342-E429 WeakPolarHBondContact CG-O 3.36Å; R342-E429 IonicContact CZ-OE2 3.83Å; R342-E429 IonicContact NH2-OE2 2.93Å; R342-E429 PolarHBondContact NH2-OE2 2.95Å | ||
| 343 | L | 75.3 | Confident | 65.3 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | trans | -77.1 | 106.2 | 166.5 | -63 | 178.6 | 0 | 0 | 0 | 107.1 | D242 R244 T345 | D242-L343 VanDerWaalsContact O-CD2 3.25Å; D242-L343 WeakPolarHBondContact O-CD2 3.19Å; R244-L343 HydrophobicContact CG-CD1 3.93Å; R244-L343 HydrophobicContact CG-CD2 4.31Å; R244-L343 HydrophobicContact CG-CG 3.87Å; L343-T345 PolarHBondContact O-N 2.7Å | ||
| 344 | H | 65.1 | Low | 61.9 | Low | 152 Ų | 152 | 90.3 Ų | 90.3 | 70% | 0.704 | 51% | 0.507 | S | S | * | . | trans | -66.9 | 116.4 | 168.9 | -69.1 | -73.6 | 0 | 0 | 0 | 107.7 | R342 T346 | R342-H344 PolarHBondContact O-N 2.97Å; H344-T346 VanDerWaalsContact C-N 3.25Å; H344-T346 PolarHBondContact O-N 2.98Å | ||
| 345 | T | 47.4 | Very low | 58.5 | Low | 134 Ų | 134 | 97.1 Ų | 97.1 | 82% | 0.822 | 55% | 0.548 | S | S | * | . | trans | -62 | 95.4 | 163.3 | 0.3 | 0 | 0 | 0 | 0 | 106.5 | L343 Q347 | L343-T345 PolarHBondContact O-N 2.7Å; T345-Q347 PolarHBondContact O-N 2.97Å | ||
| 346 | T | 38 | Very low | 55.2 | Low | 126 Ų | 126 | 102.7 Ų | 102.7 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | trans | -56.2 | 113.2 | 164.1 | 43.7 | 0 | 0 | 0 | 0 | 106.4 | H344 | H344-T346 VanDerWaalsContact C-N 3.25Å; H344-T346 PolarHBondContact O-N 2.98Å | ||
| 347 | Q | 28.9 | Very low | 51.9 | Low | 174 Ų | 174 | 111 Ų | 111 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | trans | -50.1 | 133.4 | 160.2 | -74.9 | -174.3 | -13.9 | 0 | 0 | 106.9 | T345 T349 | T345-Q347 PolarHBondContact O-N 2.97Å; Q347-T349 PolarHBondContact O-N 2.85Å | ||
| 348 | P | 31.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -61 | 113.2 | 177.1 | 23.5 | -29.5 | 0 | 0 | 0 | 107.7 | T350 | P348-T350 PolarHBondContact O-N 2.96Š| ||
| 349 | T | 27.9 | Very low | 45.3 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -57 | 113 | 164.9 | 45.8 | 0 | 0 | 0 | 0 | 106.8 | Q347 H351 | Q347-T349 PolarHBondContact O-N 2.85Å; T349-H351 PolarHBondContact O-N 2.93Å | ||
| 350 | T | 27.5 | Very low | 42.1 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -58 | 94.4 | 175.2 | 46.6 | 0 | 0 | 0 | 0 | 110 | P348 | P348-T350 PolarHBondContact O-N 2.96Š| ||
| 351 | H | 29.5 | Very low | 39.1 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 85% | 0.852 | 74% | 0.738 | S | S | * | * | trans | -109.6 | 109.7 | 146.7 | -80.8 | -62.9 | 0 | 0 | 0 | 107.5 | T349 | T349-H351 PolarHBondContact O-N 2.93Š| ||
| 352 | S | 27.2 | Very low | 36 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -57.2 | 129.5 | -170.6 | -43.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 353 | I | 29 | Very low | 33.1 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 118.3 | 134.6 | -61.1 | -172.9 | 0 | 0 | 0 | 106.4 | ||||
| 354 | G | 26.1 | Very low | 30.7 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | -84 | 143.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 355 | T | 27.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | trans | -150.3 | 125.9 | 150.1 | 31.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 356 | L | 28.1 | Very low | 27.7 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | trans | -64.9 | 132.7 | -178.9 | -74.6 | 133.7 | 0 | 0 | 0 | 112 | ||||
| 357 | Q | 28.1 | Very low | 27.1 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -156.6 | 130.4 | 148.9 | -108.3 | 167 | 25.5 | 0 | 0 | 110.8 | ||||
| 358 | T | 26 | Very low | 27 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.9 | -172.5 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 359 | Q | 27.1 | Very low | 26.8 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 146.3 | 166.1 | -74.9 | -165.4 | -5.6 | 0 | 0 | 111.5 | ||
| 360 | P | 27.3 | Very low | 26.7 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 139.7 | 159.2 | 24.9 | -11.3 | 0 | 0 | 0 | 112.1 | ||
| 361 | T | 26.6 | Very low | 26.7 | Very low | 139 Ų | 139 | 152.9 Ų | 152.9 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 141.5 | 177.8 | 25.2 | 0 | 0 | 0 | 0 | 115 | ||
| 362 | P | 26.6 | Very low | 26.4 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 139 | 163.2 | 10.9 | 7.5 | 0 | 0 | 0 | 112.7 | ||
| 363 | L | 24.8 | Very low | 26.5 | Very low | 175 Ų | 175 | 153 Ų | 153 | 92% | 0.916 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 139.6 | 174.1 | -86.3 | 140.2 | 0 | 0 | 0 | 112.2 | ||
| 364 | N | 24.5 | Very low | 26.7 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 76% | 0.759 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120.7 | 179.7 | -169 | 14.9 | 0 | 0 | 0 | 111.1 | ||
| 365 | N | 25.2 | Very low | 27.2 | Very low | 154 Ų | 154 | 153.2 Ų | 153.2 | 82% | 0.824 | 84% | 0.841 | S | S | * | * | trans | -135.3 | 118.4 | 167 | -89.3 | -16.7 | 0 | 0 | 0 | 110.4 | ||||
| 366 | K | 23.9 | Very low | 27.7 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 141.9 | 174.8 | -69.2 | 177.2 | 174.3 | 179.9 | 0 | 111.2 | ||
| 367 | P | 26.4 | Very low | 28.5 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 116.8 | 165.2 | 31 | -22 | 0 | 0 | 0 | 111.5 | ||
| 368 | T | 25.4 | Very low | 28.8 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 117.1 | 161.5 | 37.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 369 | N | 27.2 | Very low | 29.4 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 157.4 | 104.2 | 139.3 | -84.6 | -11.8 | 0 | 0 | 0 | 110.7 | ||||
| 370 | Q | 26.1 | Very low | 30 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.2 | 165.9 | -70.3 | 175 | -7 | 0 | 0 | 108.8 | ||
| 371 | H | 27.1 | Very low | 30.8 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 118.7 | 164.2 | -96.8 | -63.4 | 0 | 0 | 0 | 109 | ||
| 372 | Q | 24.2 | Very low | 31.2 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.5 | 174 | -72.2 | 174.9 | -16.8 | 0 | 0 | 111.1 | ||
| 373 | S | 28.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 140 | 170.5 | -34.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 374 | P | 33.1 | Very low | 32.5 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 152.4 | 175.9 | 29.9 | -32.8 | 0 | 0 | 0 | 112 | ||
| 375 | P | 37.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.7 | 178.4 | 29.2 | -32.7 | 0 | 0 | 0 | 112.9 | ||
| 376 | L | 39.1 | Very low | 33.6 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 151.1 | -179 | -67.6 | 167 | 0 | 0 | 0 | 112.9 | E380 | L376-E380 WeakPolarHBondContact CD2-OE2 3.49Š|
| 377 | T | 44.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 44% | 0.442 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 151.1 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | L379 E380 | T377-L379 PolarHBondContact O-N 3.4Å; T377-E380 PolarHBondContact N-OE2 3.01Å; T377-E380 WeakPolarHBondContact O-CB 3.38Å; T377-E380 PolarHBondContact O-N 3.13Å; T377-E380 VanDerWaalsContact OG1-CD 3.27Å; T377-E380 WeakPolarHBondContact OG1-CG 3.46Å; T377-E380 PolarHBondContact OG1-OE2 3.46Å |
| 378 | P | 34.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -56.3 | -22.8 | 178 | -27.9 | 35.4 | 0 | 0 | 0 | 115.2 | S382 | P378-S382 PolarHBondContact O-N 2.86Å |
| 379 | L | 37.8 | Very low | 35.2 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.9 | -29.4 | 175.8 | -158.8 | 75.1 | 0 | 0 | 0 | 112.4 | T377 I381 L383 | T377-L379 PolarHBondContact O-N 3.4Å; L379-I381 VanDerWaalsContact C-N 3.32Å; L379-L383 PolarHBondContact O-N 3.08Å |
| 380 | E | 40.9 | Very low | 35.8 | Very low | 67 Ų | 67 | 125.8 Ų | 125.8 | 31% | 0.313 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.2 | -24.9 | 176.5 | -70.2 | 165 | 147.5 | 0 | 0 | 111.9 | L376 T377 N384 | L376-E380 WeakPolarHBondContact CD2-OE2 3.49Å; T377-E380 PolarHBondContact N-OE2 3.01Å; T377-E380 WeakPolarHBondContact O-CB 3.38Å; T377-E380 PolarHBondContact O-N 3.13Å; T377-E380 VanDerWaalsContact OG1-CD 3.27Å; T377-E380 WeakPolarHBondContact OG1-CG 3.46Å; T377-E380 PolarHBondContact OG1-OE2 3.46Å; E380-N384 PolarHBondContact O-ND2 3.01Å |
| 381 | I | 43.6 | Very low | 35.9 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 43% | 0.431 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -79.5 | -41 | 172.6 | -60.6 | 174.2 | 0 | 0 | 0 | 110.8 | L379 L383 N384 Q385 | L379-I381 VanDerWaalsContact C-N 3.32Å; I381-L383 VanDerWaalsContact C-N 3.31Å; I381-L383 PolarHBondContact O-N 3.06Å; I381-N384 PolarHBondContact O-N 2.97Å; I381-Q385 HydrophobicContact CG2-CG 4.46Å; I381-Q385 PolarHBondContact O-N 2.67Å |
| 382 | S | 34.3 | Very low | 36.1 | Very low | 44 Ų | 44 | 115 Ų | 115 | 31% | 0.308 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.3 | -27.4 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 114.8 | P378 R386 | P378-S382 PolarHBondContact O-N 2.86Å; S382-R386 PolarHBondContact O-NE 3.07Å |
| 383 | L | 41.2 | Very low | 36.2 | Very low | 98 Ų | 98 | 111.9 Ų | 111.9 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -81.3 | -26.7 | 177.9 | -75.4 | 164.2 | 0 | 0 | 0 | 112.8 | L379 I381 | L379-L383 PolarHBondContact O-N 3.08Å; I381-L383 VanDerWaalsContact C-N 3.31Å; I381-L383 PolarHBondContact O-N 3.06Å |
| 384 | N | 38.9 | Very low | 36.3 | Very low | 134 Ų | 134 | 112 Ų | 112 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81 | -28.9 | 175.4 | -72 | -19.4 | 0 | 0 | 0 | 112.4 | E380 I381 | E380-N384 PolarHBondContact O-ND2 3.01Å; I381-N384 PolarHBondContact O-N 2.97Å |
| 385 | Q | 35.2 | Very low | 36.2 | Very low | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -82 | -24.5 | -179 | -74.3 | 175.4 | -14.1 | 0 | 0 | 114.5 | I381 N387 A388 | I381-Q385 HydrophobicContact CG2-CG 4.46Å; I381-Q385 PolarHBondContact O-N 2.67Å; Q385-N387 PolarHBondContact O-N 2.95Å; Q385-A388 PolarHBondContact O-N 3.21Å |
| 386 | R | 36 | Very low | 36 | Very low | 171 Ų | 171 | 111.6 Ų | 111.6 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -11.3 | -178.4 | -96.5 | -175.8 | -81.3 | -178.7 | -8.1 | 115.4 | S382 | S382-R386 PolarHBondContact O-NE 3.07Š|
| 387 | N | 39.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 111.3 Ų | 111.3 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 2.5 | 175.4 | -69.3 | -15.9 | 0 | 0 | 0 | 113.7 | Q385 | Q385-N387 PolarHBondContact O-N 2.95Š|
| 388 | A | 37.5 | Very low | 34.8 | Very low | 74 Ų | 74 | 112.1 Ų | 112.1 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -17.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q385 K390 | Q385-A388 PolarHBondContact O-N 3.21Å; A388-K390 PolarHBondContact O-N 3.26Å |
| 389 | E | 33.2 | Very low | 34.6 | Very low | 166 Ų | 166 | 116.3 Ų | 116.3 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -103.4 | 75.6 | -175.1 | -68 | -173.5 | 174.2 | 0 | 0 | 113.2 | ||||
| 390 | K | 38.9 | Very low | 34 | Very low | 204 Ų | 204 | 116.6 Ų | 116.6 | 89% | 0.887 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -146.5 | 77 | 145.7 | -82.9 | -163.1 | -177.2 | 173.4 | 0 | 109.2 | A388 | A388-K390 PolarHBondContact O-N 3.26Š|
| 391 | G | 29.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 167.9 | 109.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 392 | G | 29.4 | Very low | 32.6 | Very low | 82 Ų | 82 | 121.1 Ų | 121.1 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | 39.1 | 114.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 393 | S | 27.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -47.4 | 128.4 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 394 | S | 29.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -175 | 144.2 | 138.9 | -71.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 395 | P | 32.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -74 | 146.7 | -175.9 | 30.4 | -33.4 | 0 | 0 | 0 | 112.3 | ||
| 396 | P | 31.8 | Very low | 31 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 146.5 | 175.3 | 33.6 | -31.4 | 0 | 0 | 0 | 111 | ||
| 397 | P | 29.7 | Very low | 30.6 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77 | 162.3 | 169.3 | 31.5 | -30.2 | 0 | 0 | 0 | 111.6 | ||
| 398 | A | 29.5 | Very low | 29.9 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 159.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | V400 | A398-V400 WeakPolarHBondContact O-CG2 3.31Å; A398-V400 PolarHBondContact O-N 3.09Å |
| 399 | E | 29.8 | Very low | 29.4 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -38.7 | 119.7 | 178.6 | -67.5 | 179.8 | 153.2 | 0 | 0 | 113.5 | ||||
| 400 | V | 24.9 | Very low | 29.1 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -111.1 | 119.6 | 171 | -171.6 | 0 | 0 | 0 | 0 | 107.9 | A398 | A398-V400 WeakPolarHBondContact O-CG2 3.31Å; A398-V400 PolarHBondContact O-N 3.09Å | ||
| 401 | P | 28 | Very low | 28.7 | Very low | 99 Ų | 99 | 126 Ų | 126 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | -66.5 | 148.1 | 169.9 | 26.2 | -26.6 | 0 | 0 | 0 | 109.4 | V403 | P401-V403 HydrophobicContact CG-CG2 4.49Å; P401-V403 PolarHBondContact O-N 2.96Å | ||
| 402 | M | 27.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 126.2 Ų | 126.2 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | trans | -60.9 | 100.9 | 174 | -77.3 | -163.8 | -48.1 | 0 | 0 | 109.9 | ||||
| 403 | V | 27.8 | Very low | 28.5 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 127.2 | 168 | -176 | 0 | 0 | 0 | 0 | 107.9 | P401 E405 | P401-V403 HydrophobicContact CG-CG2 4.49Å; P401-V403 PolarHBondContact O-N 2.96Å; V403-E405 PolarHBondContact O-N 3.43Å | ||
| 404 | T | 31 | Very low | 28.8 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -67.2 | 107.5 | 164.8 | 40.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 405 | E | 27.8 | Very low | 28.9 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 133.3 | 171.9 | -80.4 | -168.1 | 155.8 | 0 | 0 | 112.4 | V403 | V403-E405 PolarHBondContact O-N 3.43Š|
| 406 | K | 30 | Very low | 28.6 | Very low | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 149.8 | 175.1 | -80.6 | 177.6 | 175.3 | 172.7 | 0 | 111 | ||
| 407 | V | 27.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.4 | 175.2 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 408 | V | 25.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 134 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 409 | S | 26.5 | Very low | 28.7 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -146.2 | 124.7 | 149.8 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 410 | G | 26 | Very low | 28.9 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | 86 | 89.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 411 | T | 30.8 | Very low | 29.3 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | 27.4 | 122.5 | 141.7 | 57.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 412 | G | 27.2 | Very low | 30.3 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 147 | 101.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 413 | D | 28.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | 45 | 112.2 | 154.4 | -70.1 | -29.9 | 0 | 0 | 0 | 124 | ||||
| 414 | R | 34.2 | Very low | 33.8 | Very low | 244 Ų | 244 | 145.3 Ų | 145.3 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | 44 | 100.9 | 139.8 | -68.3 | -176.1 | 176.4 | 179.6 | -0.4 | 120.4 | ||||
| 415 | A | 30.5 | Very low | 36.2 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | -155.7 | 133.2 | 125.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 416 | D | 26.3 | Very low | 38.8 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125.3 | 176 | -72.3 | -43.7 | 0 | 0 | 0 | 109.5 | E418 | D416-E418 PolarHBondContact O-N 3.4Š|
| 417 | P | 31.2 | Very low | 41.1 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123 | 173.1 | 30.1 | -28.4 | 0 | 0 | 0 | 108.4 | V419 | P417-V419 PolarHBondContact O-N 3.1Å; P417-V419 VanDerWaalsContact O-N 3.16Å |
| 418 | E | 31.3 | Very low | 43.7 | Very low | 187 Ų | 187 | 125.8 Ų | 125.8 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 121.9 | 163.9 | -71.3 | 179.2 | 155.5 | 0 | 0 | 108.5 | D416 E420 | D416-E418 PolarHBondContact O-N 3.4Å; E418-E420 PolarHBondContact O-N 3.14Å |
| 419 | V | 30.5 | Very low | 46.6 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -64.2 | 102 | 170.5 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | P417 Q421 | P417-V419 PolarHBondContact O-N 3.1Å; P417-V419 VanDerWaalsContact O-N 3.16Å; V419-Q421 VanDerWaalsContact C-N 3.31Å; V419-Q421 PolarHBondContact O-N 2.77Å | ||
| 420 | E | 33.9 | Very low | 49.7 | Very low | 187 Ų | 187 | 117.9 Ų | 117.9 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -57.6 | 99 | 165.8 | -79.8 | -174 | 167.5 | 0 | 0 | 107.5 | E418 S422 | E418-E420 PolarHBondContact O-N 3.14Å; E420-S422 PolarHBondContact O-N 2.81Å | ||
| 421 | Q | 34.2 | Very low | 53 | Low | 173 Ų | 173 | 114.9 Ų | 114.9 | 81% | 0.808 | 64% | 0.638 | S | S | * | * | trans | -58.9 | 111.8 | 162.9 | -73.4 | 178.4 | 5.9 | 0 | 0 | 105.8 | V419 E423 | V419-Q421 VanDerWaalsContact C-N 3.31Å; V419-Q421 PolarHBondContact O-N 2.77Å; Q421-E423 PolarHBondContact O-N 2.81Å | ||
| 422 | S | 48.1 | Very low | 56.2 | Low | 115 Ų | 115 | 107.6 Ų | 107.6 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | trans | -59.8 | 106.2 | 171.3 | 71.9 | 0 | 0 | 0 | 0 | 107.1 | E420 S424 | E420-S422 PolarHBondContact O-N 2.81Å; S422-S424 PolarHBondContact O-N 3.05Å | ||
| 423 | E | 57.4 | Low | 59.5 | Low | 164 Ų | 164 | 104.3 Ų | 104.3 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | trans | -54 | 128.1 | 177.6 | -73.3 | -174.5 | 150.8 | 0 | 0 | 109 | Q421 V425 | Q421-E423 PolarHBondContact O-N 2.81Å; E423-V425 PolarHBondContact O-N 2.98Å | ||
| 424 | S | 72.6 | Confident | 62.9 | Low | 114 Ų | 114 | 97.4 Ų | 97.4 | 80% | 0.797 | 52% | 0.521 | S | S | * | . | trans | -66.1 | 108.2 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | S422 P426 | S422-S424 PolarHBondContact O-N 3.05Å; S424-P426 VanDerWaalsContact O-CD 3.28Å; S424-P426 WeakPolarHBondContact O-CD 3.32Å | ||
| 425 | V | 81 | Confident | 65.9 | Low | 20 Ų | 20 | 85.8 Ų | 85.8 | 12% | 0.121 | 48% | 0.477 | C | S | . | . | trans | -63 | 119.4 | -178.8 | 178.3 | 0 | 0 | 0 | 0 | 109.4 | H338 T339 R342 E423 E429 | H338-V425 PolarHBondContact NE2-O 2.97Å; T339-V425 HydrophobicContact CG2-CG2 4.2Å; R342-V425 HydrophobicContact CG-CG1 4.21Å; E423-V425 PolarHBondContact O-N 2.98Å; V425-E429 HydrophobicContact CG1-CB 4.16Å | ||
| 426 | P | 82.2 | Confident | 69.2 | Low | 50 Ų | 50 | 81.3 Ų | 81.3 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | trans | -56.3 | 141.9 | 176.3 | -25.2 | 34.7 | 0 | 0 | 0 | 111 | S424 Q428 E429 G430 | S424-P426 VanDerWaalsContact O-CD 3.28Å; S424-P426 WeakPolarHBondContact O-CD 3.32Å; P426-Q428 PolarHBondContact O-N 3.21Å; P426-E429 HydrophobicContact CB-CG 4.38Å; P426-E429 PolarHBondContact O-N 3.01Å; P426-G430 PolarHBondContact O-N 3.08Å; P426-G430 VanDerWaalsContact O-N 3.14Å | ||
| 427 | P | 78.7 | Confident | 72.6 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.5 | -176.1 | -29.7 | 37.7 | 0 | 0 | 0 | 115 | E429 G430 G513 | P427-E429 VanDerWaalsContact C-N 3.31Å; P427-G430 PolarHBondContact O-N 2.96Å; P427-G513 WeakPolarHBondContact CB-O 3.41Å |
| 428 | Q | 81.2 | Confident | 75.9 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 61% | 0.612 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -28.2 | 179.1 | -59.4 | 81.2 | 4.8 | 0 | 0 | 112.7 | P426 | P426-Q428 PolarHBondContact O-N 3.21Š|
| 429 | E | 86.8 | Confident | 79.1 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 41% | 0.407 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8.5 | 178.4 | -61.8 | 179.6 | -161.5 | 0 | 0 | 112.3 | R342 V425 P426 P427 | R342-E429 WeakPolarHBondContact CG-O 3.36Å; R342-E429 IonicContact CZ-OE2 3.83Å; R342-E429 IonicContact NH2-OE2 2.93Å; R342-E429 PolarHBondContact NH2-OE2 2.95Å; V425-E429 HydrophobicContact CG1-CB 4.16Å; P426-E429 HydrophobicContact CB-CG 4.38Å; P426-E429 PolarHBondContact O-N 3.01Å; P427-E429 VanDerWaalsContact C-N 3.31Å |
| 430 | G | 90.5 | Very high | 82.3 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -62 | 139.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R244 H338 P426 P427 V432 | R244-G430 VanDerWaalsContact CZ-O 3.3Å; R244-G430 PolarHBondContact NE-O 3.38Å; R244-G430 PolarHBondContact NH2-O 3.37Å; H338-G430 WeakPolarHBondContact CE1-CA 3.15Å; H338-G430 WeakPolarHBondContact ND1-CA 3.27Å; H338-G430 WeakPolarHBondContact O-CA 3.49Å; P426-G430 PolarHBondContact O-N 3.08Å; P426-G430 VanDerWaalsContact O-N 3.14Å; P427-G430 PolarHBondContact O-N 2.96Å; G430-V432 PolarHBondContact O-N 3.35Å | ||
| 431 | G | 95.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -71.5 | -11.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R244 V245 H337 H338 N341 | R244-G431 CarbonylContact C-O 3.51Å; R244-G431 WeakPolarHBondContact CA-O 3.34Å; R244-G431 VanDerWaalsContact CB-O 3.3Å; R244-G431 WeakPolarHBondContact CB-O 3.2Å; V245-G431 PolarHBondContact N-O 2.93Å; H337-G431 CarbonylContact O-C 3.54Å; H337-G431 VanDerWaalsContact O-CA 3.23Å; H337-G431 WeakPolarHBondContact O-CA 3.1Å; H338-G431 PolarHBondContact O-N 3.15Å; N341-G431 VanDerWaalsContact C-CA 3.45Å; N341-G431 WeakPolarHBondContact O-CA 3.44Å |
| 432 | V | 97.7 | Very high | 88 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.3 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | R244 L334 H337 H338 G430 I512 V514 | R244-V432 PolarHBondContact NH2-O 2.96Å; L334-V432 HydrophobicContact CD2-CG1 3.99Å; L334-V432 HydrophobicContact CD2-CG2 4.23Å; H337-V432 HydrophobicContact CB-CG2 4.04Å; H338-V432 HydrophobicContact CB-CG2 4.29Å; G430-V432 PolarHBondContact O-N 3.35Å; V432-I512 HydrophobicContact CB-CD1 3.93Å; V432-I512 HydrophobicContact CG1-CD1 4.27Å; V432-I512 HydrophobicContact CG2-CD1 4.02Å; V432-V514 HydrophobicContact CG1-CG2 4.31Å |
| 433 | A | 97.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 35.2 Ų | 35.2 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R244 V245 F285 H516 | R244-A433 HydrophobicContact CB-CB 3.91Å; V245-A433 PolarHBondContact O-N 3.16Å; F285-A433 HydrophobicContact CD1-CB 4.3Å; F285-A433 HydrophobicContact CE1-CB 3.71Å; A433-H516 WeakPolarHBondContact O-CB 3.39Å |
| 434 | Y | 98.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.1 | -177.7 | -63 | -92.5 | 0 | 0 | 0 | 110.8 | V245 F246 F247 F285 Y466 H516 A571 M574 | V245-Y434 PolarHBondContact O-N 3.34Å; F246-Y434 AromaticContact CD2-CD2 3.41Å; F246-Y434 HydrophobicContact CD2-CD2 3.41Å; F246-Y434 VanDerWaalsContact CD2-CD2 3.41Å; F246-Y434 HydrophobicContact CD2-CE2 4.23Å; F246-Y434 AromaticContact CD2-CG 3.67Å; F246-Y434 HydrophobicContact CD2-CG 3.67Å; F246-Y434 HydrophobicContact CE2-CD1 4.06Å; F246-Y434 AromaticContact CE2-CD2 3.64Å; F246-Y434 HydrophobicContact CE2-CD2 3.64Å; F246-Y434 HydrophobicContact CE2-CE2 4.32Å; F246-Y434 AromaticContact CE2-CG 3.5Å; F246-Y434 HydrophobicContact CE2-CG 3.5Å; F246-Y434 HydrophobicContact CG-CD2 4.27Å; F246-Y434 HydrophobicContact CG-CG 4.39Å; F246-Y434 HydrophobicContact CZ-CG 4.1Å; F247-Y434 PolarHBondContact N-O 3.24Å; F285-Y434 HydrophobicContact CE1-CD2 4.29Å; F285-Y434 HydrophobicContact CE1-CE2 4.12Å; F285-Y434 HydrophobicContact CZ-CD2 4.42Å; F285-Y434 AromaticContact CZ-CE2 3.9Å; F285-Y434 HydrophobicContact CZ-CE2 3.9Å; Y434-Y466 HydrophobicContact CD1-CD1 4.27Å; Y434-Y466 AromaticContact CD1-CE1 3.98Å; Y434-Y466 HydrophobicContact CD1-CE1 3.98Å; Y434-Y466 HydrophobicContact CD1-CE2 4.32Å; Y434-Y466 HydrophobicContact CE1-CD1 4.09Å; Y434-Y466 AromaticContact CE1-CD2 3.73Å; Y434-Y466 HydrophobicContact CE1-CD2 3.73Å; Y434-Y466 HydrophobicContact CE1-CE1 4.07Å; Y434-Y466 AromaticContact CE1-CE2 3.74Å; Y434-Y466 HydrophobicContact CE1-CE2 3.74Å; Y434-Y466 AromaticContact CE1-CG 3.89Å; Y434-Y466 HydrophobicContact CE1-CG 3.89Å; Y434-Y466 AromaticContact CE1-CZ 3.9Å; Y434-H516 HydrophobicContact CD1-CB 3.46Å; Y434-H516 VanDerWaalsContact CD1-CB 3.46Å; Y434-H516 AromaticContact CD1-CG 3.84Å; Y434-H516 HydrophobicContact CE1-CB 3.78Å; Y434-H516 AromaticContact CE1-CD2 3.58Å; Y434-H516 AromaticContact CE1-CG 3.6Å; Y434-H516 HydrophobicContact CG-CB 4.2Å; Y434-H516 AromaticContact CZ-CD2 3.92Å; Y434-A571 HydrophobicContact CE2-CB 4.22Å; Y434-M574 WeakPolarHBondContact OH-CG 3.45Å |
| 435 | Y | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.8 | 162.5 | 171.3 | -102.6 | 0 | 0 | 0 | 109 | F247 Y316 L334 D437 G504 V508 H516 S517 Y518 | F247-Y435 HydrophobicContact CB-CD2 4.24Å; F247-Y435 AromaticContact CD1-CD2 3.57Å; F247-Y435 HydrophobicContact CD1-CD2 3.57Å; F247-Y435 AromaticContact CD1-CE2 3.76Å; F247-Y435 HydrophobicContact CD1-CE2 3.76Å; F247-Y435 HydrophobicContact CE1-CD2 4.28Å; F247-Y435 HydrophobicContact CE1-CE2 4.03Å; F247-Y435 HydrophobicContact CG-CD2 4.18Å; F247-Y435 WeakPolarHBondContact O-CA 3.31Å; Y316-Y435 PolarHBondContact OH-OH 3.31Å; L334-Y435 HydrophobicContact CD1-CD2 3.67Å; L334-Y435 HydrophobicContact CD1-CE2 3.76Å; L334-Y435 HydrophobicContact CD1-CG 4.43Å; L334-Y435 HydrophobicContact CD2-CD2 3.96Å; L334-Y435 HydrophobicContact CD2-CG 4.48Å; L334-Y435 HydrophobicContact CG-CD2 4.43Å; Y435-D437 HydrophobicContact CE1-CB 4.15Å; Y435-G504 VanDerWaalsContact CE1-C 3.45Å; Y435-V508 HydrophobicContact CD1-CB 4.19Å; Y435-V508 HydrophobicContact CD1-CG1 4.25Å; Y435-V508 HydrophobicContact CD1-CG2 4.29Å; Y435-V508 HydrophobicContact CE1-CB 4.44Å; Y435-V508 HydrophobicContact CE1-CG2 4.14Å; Y435-V508 HydrophobicContact CE2-CG2 4.47Å; Y435-V508 HydrophobicContact CG-CB 4.5Å; Y435-V508 HydrophobicContact CG-CG1 4.12Å; Y435-H516 PolarHBondContact N-O 3.43Å; Y435-S517 WeakPolarHBondContact CD1-OG 3.47Å; Y435-S517 CarbonylContact O-C 3.53Å; Y435-S517 WeakPolarHBondContact O-CA 3.19Å; Y435-Y518 PolarHBondContact O-N 3.21Å |
| 436 | V | 98.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.5 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | F246 F247 L248 S249 L438 M449 Y518 L520 | F246-V436 HydrophobicContact CE1-CG2 4.17Å; F246-V436 HydrophobicContact CZ-CG2 4.14Å; F247-V436 PolarHBondContact O-N 3.27Å; L248-V436 WeakPolarHBondContact CA-O 3.21Å; L248-V436 HydrophobicContact CD1-CB 3.67Å; L248-V436 HydrophobicContact CD1-CG1 3.86Å; L248-V436 WeakPolarHBondContact CD1-O 3.4Å; S249-V436 PolarHBondContact N-O 3.45Å; V436-L438 HydrophobicContact CG1-CD2 3.87Å; V436-M449 HydrophobicContact CG1-CE 4.23Å; V436-Y518 HydrophobicContact CG2-CD2 4.17Å; V436-L520 HydrophobicContact CG1-CB 4.19Å |
| 437 | D | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.3 | 175 | -167.5 | 23.9 | 0 | 0 | 0 | 110 | S249 Y435 H439 Y518 T519 L520 | S249-D437 PolarHBondContact OG-OD1 3.43Å; Y435-D437 HydrophobicContact CE1-CB 4.15Å; D437-H439 PolarHBondContact O-CD2 3.45Å; D437-H439 IonicContact OD1-NE2 3.86Å; D437-H439 IonicContact OD2-CD2 2.73Å; D437-H439 IonicContact OD2-CE1 4Å; D437-H439 IonicContact OD2-NE2 3.83Å; D437-H439 PolarHBondContact OD2-NE2 2.98Å; D437-Y518 PolarHBondContact N-O 3.33Å; D437-T519 CarbonylContact O-C 3.52Å; D437-T519 WeakPolarHBondContact O-CA 3.37Å; D437-L520 PolarHBondContact O-N 3.01Å |
| 438 | L | 98.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.4 | -171 | -56.7 | 178.4 | 0 | 0 | 0 | 111.9 | L248 S249 S259 V262 F263 V436 L520 | L248-L438 HydrophobicContact CD1-CD1 3.91Å; L248-L438 HydrophobicContact CD1-CD2 3.94Å; L248-L438 HydrophobicContact CD1-CG 3.82Å; L248-L438 HydrophobicContact CD2-CD1 4.21Å; L248-L438 HydrophobicContact CG-CD1 4.12Å; L248-L438 HydrophobicContact CG-CG 4.41Å; S249-L438 WeakPolarHBondContact O-CB 3.06Å; S249-L438 WeakPolarHBondContact O-CG 3.25Å; S249-L438 PolarHBondContact O-N 3Å; S259-L438 WeakPolarHBondContact CB-O 3.39Å; V262-L438 HydrophobicContact CB-CD1 4.07Å; V262-L438 HydrophobicContact CG1-CD1 3.83Å; V262-L438 HydrophobicContact CG1-CD2 3.78Å; V262-L438 HydrophobicContact CG1-CG 4.41Å; F263-L438 HydrophobicContact CB-CD1 3.8Å; F263-L438 HydrophobicContact CD2-CD1 4.33Å; V436-L438 HydrophobicContact CG1-CD2 3.87Å; L438-L520 HydrophobicContact CD2-CB 3.71Å; L438-L520 HydrophobicContact CD2-CD1 3.89Å; L438-L520 HydrophobicContact CD2-CD2 4.4Å; L438-L520 HydrophobicContact CD2-CG 4.21Å |
| 439 | H | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.009 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 171.4 | -171.9 | -73.5 | -111.2 | 0 | 0 | 0 | 112.4 | V252 H253 E256 N313 D437 T519 L520 E521 C522 | V252-H439 WeakPolarHBondContact CG1-CE1 3.47Å; V252-H439 WeakPolarHBondContact CG1-NE2 3.32Å; H253-H439 AromaticContact CE1-CE1 3.2Å; H253-H439 PolarHBondContact CE1-CE1 3.22Å; H253-H439 AromaticContact CE1-ND1 3.19Å; H253-H439 PolarHBondContact CE1-ND1 3.46Å; H253-H439 AromaticContact ND1-CE1 3.4Å; H253-H439 PolarHBondContact ND1-CE1 2.97Å; H253-H439 AromaticContact ND1-ND1 3.06Å; H253-H439 PolarHBondContact ND1-ND1 3.1Å; E256-H439 WeakPolarHBondContact OE2-CA 3.5Å; E256-H439 VanDerWaalsContact OE2-CB 3.31Å; E256-H439 WeakPolarHBondContact OE2-CB 3.42Å; E256-H439 IonicContact OE2-CG 2.96Å; E256-H439 IonicContact OE2-ND1 2.65Å; E256-H439 PolarHBondContact OE2-ND1 3.49Å; E256-H439 VanDerWaalsContact OE2-ND1 3.13Å; N313-H439 PolarHBondContact ND2-CE1 3.18Å; D437-H439 PolarHBondContact O-CD2 3.45Å; D437-H439 IonicContact OD1-NE2 3.86Å; D437-H439 IonicContact OD2-CD2 2.73Å; D437-H439 IonicContact OD2-CE1 4Å; D437-H439 IonicContact OD2-NE2 3.83Å; D437-H439 PolarHBondContact OD2-NE2 2.98Å; H439-T519 HydrophobicContact CB-CG2 4.19Å; H439-T519 VanDerWaalsContact CD2-CG2 3.46Å; H439-T519 WeakPolarHBondContact CD2-CG2 3.37Å; H439-L520 PolarHBondContact N-O 2.86Å; H439-E521 WeakPolarHBondContact CB-OE2 3.46Å; H439-C522 PolarHBondContact O-N 2.94Å |
| 440 | G | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 4% | 0.041 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E256 C522 | E256-G440 PolarHBondContact OE2-N 3.07Å; E256-G440 VanDerWaalsContact OE2-N 3.08Å; G440-C522 CarbonylContact C-O 3.49Å; G440-C522 WeakPolarHBondContact CA-O 3.39Å |
| 441 | H | 95.9 | Very high | 97.2 | Very high | 38 Ų | 38 | 13.4 Ų | 13.4 | 18% | 0.176 | 7% | 0.067 | C | C | . | . | trans | -127 | 108.8 | -172.6 | -164.8 | -65.2 | 0 | 0 | 0 | 113.2 | S443 K444 F448 Y450 E521 C522 N523 | H441-S443 PolarHBondContact ND1-N 3Å; H441-S443 PolarHBondContact O-N 3.41Å; H441-K444 VanDerWaalsContact CE1-CB 3.42Å; H441-K444 WeakPolarHBondContact CE1-CB 3.45Å; H441-K444 PolarHBondContact CE1-N 3.07Å; H441-K444 PolarHBondContact ND1-N 3.5Å; H441-F448 HydrophobicContact CB-CZ 4.09Å; H441-F448 AromaticContact CD2-CZ 3.71Å; H441-F448 AromaticContact CG-CZ 3.78Å; H441-Y450 PolarHBondContact NE2-OH 2.87Å; H441-E521 HydrophobicContact CB-CB 4.06Å; H441-E521 IonicContact CD2-OE2 2.85Å; H441-C522 PolarHBondContact N-O 3.05Å; H441-N523 WeakPolarHBondContact O-CA 3.37Å; H441-N523 PolarHBondContact O-ND2 2.94Å | ||
| 442 | A | 92.7 | Very high | 97.3 | Very high | 11 Ų | 11 | 13.4 Ų | 13.4 | 9% | 0.091 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -66.6 | -36.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L101 N523 Y524 | L101-A442 WeakPolarHBondContact CB-O 3.35Å; L101-A442 WeakPolarHBondContact CD1-O 3.41Å; L101-A442 HydrophobicContact CD2-CB 4.16Å; A442-N523 PolarHBondContact O-ND2 2.98Å; A442-Y524 HydrophobicContact CB-CD2 4.38Å; A442-Y524 HydrophobicContact CB-CE2 4.23Å |
| 443 | S | 91.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 16.1 Ų | 16.1 | 34% | 0.336 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -94.7 | -45.6 | -166.4 | -82.2 | 0 | 0 | 0 | 0 | 115.9 | K100 Q104 H441 | K100-S443 VanDerWaalsContact CE-O 3.28Å; K100-S443 WeakPolarHBondContact CE-O 3.33Å; Q104-S443 PolarHBondContact NE2-O 3.48Å; H441-S443 PolarHBondContact ND1-N 3Å; H441-S443 PolarHBondContact O-N 3.41Å |
| 444 | K | 95.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 16 Ų | 16 | 23% | 0.226 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -85.7 | 125.2 | 179.7 | -172 | 167.4 | -178.8 | 170.3 | 0 | 108.6 | H441 F448 G481 N523 | H441-K444 VanDerWaalsContact CE1-CB 3.42Å; H441-K444 WeakPolarHBondContact CE1-CB 3.45Å; H441-K444 PolarHBondContact CE1-N 3.07Å; H441-K444 PolarHBondContact ND1-N 3.5Å; K444-F448 HydrophobicContact CB-CE1 3.73Å; K444-F448 HydrophobicContact CB-CZ 3.79Å; K444-F448 HydrophobicContact CD-CD1 4.1Å; K444-F448 HydrophobicContact CD-CD2 4.4Å; K444-F448 HydrophobicContact CD-CE1 3.63Å; K444-F448 HydrophobicContact CD-CE2 3.96Å; K444-F448 HydrophobicContact CD-CG 4.49Å; K444-F448 HydrophobicContact CD-CZ 3.57Å; K444-F448 HydrophobicContact CG-CD1 4.15Å; K444-F448 HydrophobicContact CG-CE1 3.51Å; K444-F448 HydrophobicContact CG-CZ 3.84Å; K444-G481 VanDerWaalsContact CE-O 3.28Å; K444-G481 WeakPolarHBondContact CE-O 3.48Å; K444-G481 VanDerWaalsContact NZ-C 3.3Å; K444-G481 PolarHBondContact NZ-O 3.39Å; K444-N523 WeakPolarHBondContact O-CB 3.16Å; K444-N523 PolarHBondContact O-ND2 3.35Å |
| 445 | R | 95.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 21.2 Ų | 21.2 | 30% | 0.298 | 12% | 0.115 | S | C | . | . | trans | -70.9 | 153 | 174 | -69.4 | 171.5 | 64.5 | -175.5 | 6.2 | 110.4 | Q104 T526 G527 K528 | Q104-R445 HydrophobicContact CG-CG 4.3Å; R445-T526 WeakPolarHBondContact CA-O 3.35Å; R445-T526 WeakPolarHBondContact CB-O 3.4Å; R445-T526 HydrophobicContact CG-CG2 4.37Å; R445-G527 PolarHBondContact NE-O 3.34Å; R445-G527 VanDerWaalsContact NE-O 3.07Å; R445-G527 PolarHBondContact NH2-O 3.11Å; R445-K528 HydrophobicContact CB-CG 3.55Å; R445-K528 HydrophobicContact CG-CG 4.49Å | ||
| 446 | G | 96.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 94.7 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N523 T526 Y555 | G446-N523 WeakPolarHBondContact O-CB 3.49Å; G446-N523 PolarHBondContact O-N 3.25Å; G446-T526 PolarHBondContact N-O 3.35Å; G446-Y555 WeakPolarHBondContact CA-OH 3.28Å |
| 447 | C | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.4 | 163.6 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | H476 F477 D478 E521 C522 V563 | C447-H476 WeakPolarHBondContact CB-O 3.26Å; C447-H476 PolarHBondContact N-O 3.13Å; C447-F477 HydrophobicContact CB-CD2 4.34Å; C447-F477 CarbonylContact O-C 3.52Å; C447-F477 WeakPolarHBondContact O-CA 3.47Å; C447-D478 PolarHBondContact O-N 3.28Å; C447-E521 CarbonylContact C-O 3.55Å; C447-E521 VanDerWaalsContact CA-O 3.26Å; C447-E521 WeakPolarHBondContact CA-O 3.24Å; C447-C522 PolarHBondContact SG-SG 3.4Å; C447-V563 HydrophobicContact CB-CG1 4.2Å; C447-V563 HydrophobicContact CB-CG2 4.16Å |
| 448 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 170.8 | -175.7 | 54.8 | -89.5 | 0 | 0 | 0 | 110.1 | H441 K444 Y450 D478 G481 E521 | H441-F448 HydrophobicContact CB-CZ 4.09Å; H441-F448 AromaticContact CD2-CZ 3.71Å; H441-F448 AromaticContact CG-CZ 3.78Å; K444-F448 HydrophobicContact CB-CE1 3.73Å; K444-F448 HydrophobicContact CB-CZ 3.79Å; K444-F448 HydrophobicContact CD-CD1 4.1Å; K444-F448 HydrophobicContact CD-CD2 4.4Å; K444-F448 HydrophobicContact CD-CE1 3.63Å; K444-F448 HydrophobicContact CD-CE2 3.96Å; K444-F448 HydrophobicContact CD-CG 4.49Å; K444-F448 HydrophobicContact CD-CZ 3.57Å; K444-F448 HydrophobicContact CG-CD1 4.15Å; K444-F448 HydrophobicContact CG-CE1 3.51Å; K444-F448 HydrophobicContact CG-CZ 3.84Å; F448-Y450 HydrophobicContact CD2-CD1 4.35Å; F448-Y450 AromaticContact CD2-CE1 4Å; F448-Y450 HydrophobicContact CD2-CE1 4Å; F448-Y450 HydrophobicContact CE2-CD1 4.25Å; F448-Y450 AromaticContact CE2-CE1 3.55Å; F448-Y450 HydrophobicContact CE2-CE1 3.55Å; F448-Y450 HydrophobicContact CE2-CE2 4.28Å; F448-Y450 AromaticContact CE2-CZ 3.57Å; F448-D478 WeakPolarHBondContact CB-O 3.46Å; F448-G481 WeakPolarHBondContact CD2-O 3.41Å; F448-G481 WeakPolarHBondContact CG-O 3.45Å; F448-E521 HydrophobicContact CD2-CB 3.94Å; F448-E521 HydrophobicContact CD2-CG 4.43Å; F448-E521 HydrophobicContact CE1-CB 4.13Å; F448-E521 HydrophobicContact CE2-CB 3.39Å; F448-E521 HydrophobicContact CE2-CG 3.76Å; F448-E521 HydrophobicContact CG-CB 4.49Å; F448-E521 HydrophobicContact CZ-CB 3.48Å; F448-E521 VanDerWaalsContact CZ-CB 3.48Å; F448-E521 HydrophobicContact CZ-CG 4.18Å; F448-E521 PolarHBondContact N-O 3.33Å; F448-E521 PolarHBondContact O-N 2.67Å |
| 449 | M | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 144.2 | 178 | -78.5 | 177.3 | 175.6 | 0 | 0 | 112.9 | V436 Y466 P467 I470 F477 C482 N483 Y518 T519 L520 V567 | V436-M449 HydrophobicContact CG1-CE 4.23Å; M449-Y466 HydrophobicContact CE-CE1 4.36Å; M449-P467 HydrophobicContact CB-CG 4.35Å; M449-P467 HydrophobicContact SD-CB 4.13Å; M449-P467 HydrophobicContact SD-CG 3.67Å; M449-I470 HydrophobicContact CE-CD1 3.42Å; M449-I470 VanDerWaalsContact CE-CD1 3.42Å; M449-I470 HydrophobicContact SD-CD1 3.94Å; M449-F477 HydrophobicContact CB-CZ 4.13Å; M449-F477 HydrophobicContact CE-CE2 4.4Å; M449-F477 HydrophobicContact CG-CE2 3.97Å; M449-F477 HydrophobicContact CG-CZ 3.72Å; M449-F477 HydrophobicContact SD-CE2 4.4Å; M449-F477 HydrophobicContact SD-CZ 4.02Å; M449-C482 PolarHBondContact N-SG 3.21Å; M449-C482 CarbonylContact O-C 3.59Å; M449-C482 WeakPolarHBondContact O-CA 3.36Å; M449-C482 WeakPolarHBondContact O-CB 3.25Å; M449-N483 PolarHBondContact O-N 3.12Å; M449-Y518 HydrophobicContact SD-CD1 4.19Å; M449-Y518 HydrophobicContact SD-CD2 4.33Å; M449-Y518 HydrophobicContact SD-CG 3.9Å; M449-T519 CarbonylContact C-O 3.59Å; M449-T519 VanDerWaalsContact CA-O 3.27Å; M449-T519 WeakPolarHBondContact CA-O 3.27Å; M449-L520 HydrophobicContact CE-CB 4.11Å; M449-L520 HydrophobicContact CE-CD1 3.67Å; M449-L520 HydrophobicContact CE-CG 4.1Å; M449-L520 HydrophobicContact CG-CB 4.09Å; M449-L520 HydrophobicContact CG-CG 4.2Å; M449-V567 HydrophobicContact CE-CG2 4.22Å |
| 450 | Y | 98.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.7 | 157 | -55.3 | -42.5 | 0 | 0 | 0 | 108.7 | H441 F448 N483 R505 Y518 T519 E521 | H441-Y450 PolarHBondContact NE2-OH 2.87Å; F448-Y450 HydrophobicContact CD2-CD1 4.35Å; F448-Y450 AromaticContact CD2-CE1 4Å; F448-Y450 HydrophobicContact CD2-CE1 4Å; F448-Y450 HydrophobicContact CE2-CD1 4.25Å; F448-Y450 AromaticContact CE2-CE1 3.55Å; F448-Y450 HydrophobicContact CE2-CE1 3.55Å; F448-Y450 HydrophobicContact CE2-CE2 4.28Å; F448-Y450 AromaticContact CE2-CZ 3.57Å; Y450-N483 WeakPolarHBondContact CA-O 3.38Å; Y450-N483 HydrophobicContact CD1-CB 3.75Å; Y450-N483 HydrophobicContact CE1-CB 3.99Å; Y450-R505 WeakPolarHBondContact O-CD 3.28Å; Y450-Y518 WeakPolarHBondContact O-CA 3.3Å; Y450-T519 PolarHBondContact N-O 2.97Å; Y450-T519 PolarHBondContact O-N 3.39Å; Y450-E521 HydrophobicContact CD2-CG 3.81Å; Y450-E521 HydrophobicContact CE2-CG 3.64Å; Y450-E521 WeakPolarHBondContact CE2-OE1 3.37Å |
| 451 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -121.7 | 177.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N483 R505 | G451-N483 PolarHBondContact N-O 3.46Å; G451-N483 VanDerWaalsContact N-O 3.11Å; G451-R505 PolarHBondContact O-NH1 3.3Å | ||
| 452 | N | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -86.2 | 158.1 | 179.4 | -61 | -47.7 | 0 | 0 | 0 | 111.8 | L454 Q460 N463 M489 R505 H509 | N452-L454 HydrophobicContact CB-CD2 4.22Å; N452-Q460 PolarHBondContact O-OE1 3.13Å; N452-N463 PolarHBondContact O-ND2 3.46Å; N452-M489 HydrophobicContact CB-CE 3.91Å; N452-M489 HydrophobicContact CB-SD 4.02Å; N452-R505 PolarHBondContact ND2-O 3.39Å; N452-R505 PolarHBondContact OD1-NE 3.31Å; N452-H509 WeakPolarHBondContact ND2-CB 3.4Å; N452-H509 VanDerWaalsContact ND2-CG 3.26Å | ||
| 453 | N | 97.5 | Very high | 96.6 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | trans | -91.7 | 112.8 | 172 | -177.2 | 88.4 | 0 | 0 | 0 | 108.3 | F484 E486 M489 | N453-F484 VanDerWaalsContact CA-O 3.29Å; N453-F484 WeakPolarHBondContact CA-O 3.16Å; N453-F484 WeakPolarHBondContact CB-O 3.45Å; N453-F484 PolarHBondContact OD1-O 3.24Å; N453-E486 HydrophobicContact CB-CB 3.94Å; N453-M489 HydrophobicContact CB-SD 3.68Å; N453-M489 PolarHBondContact N-SD 3.01Å | ||
| 454 | L | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | trans | -101.9 | 135.6 | -179.5 | -51.9 | -177.7 | 0 | 0 | 0 | 109.7 | N452 Q459 Q460 N463 H509 L515 | N452-L454 HydrophobicContact CB-CD2 4.22Å; L454-Q459 HydrophobicContact CB-CB 4.43Å; L454-Q459 HydrophobicContact CD1-CB 3.88Å; L454-Q460 HydrophobicContact CB-CB 4.32Å; L454-N463 HydrophobicContact CD1-CB 3.79Å; L454-H509 WeakPolarHBondContact CD2-CE1 3.47Å; L454-H509 WeakPolarHBondContact CD2-NE2 3.38Å; L454-L515 HydrophobicContact CD1-CD1 4.26Å; L454-L515 HydrophobicContact CD1-CG 3.96Å | ||
| 455 | P | 92.6 | Very high | 97.1 | Very high | 119 Ų | 119 | 31.4 Ų | 31.4 | 77% | 0.773 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -68.5 | -40.1 | -178.7 | 25.8 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 456 | D | 95.1 | Very high | 97.2 | Very high | 63 Ų | 63 | 27.7 Ų | 27.7 | 34% | 0.337 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -70.6 | 127.8 | 176.4 | 177.9 | -109.2 | 0 | 0 | 0 | 111.3 | N458 Q459 Q460 | D456-N458 WeakPolarHBondContact OD1-CB 3.48Å; D456-N458 PolarHBondContact OD1-N 3.4Å; D456-Q459 HydrophobicContact CB-CB 4.13Å; D456-Q459 HydrophobicContact CB-CG 4.22Å; D456-Q459 WeakPolarHBondContact OD1-CB 3.48Å; D456-Q459 VanDerWaalsContact OD1-CG 3.28Å; D456-Q459 WeakPolarHBondContact OD1-CG 3.47Å; D456-Q459 PolarHBondContact OD1-N 3.02Å; D456-Q460 WeakPolarHBondContact O-CB 3.44Å; D456-Q460 PolarHBondContact O-N 3.37Å |
| 457 | E | 95.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 27.6 Ų | 27.6 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | -174.9 | -176.1 | 174.3 | 61 | 0 | 0 | 111.8 | Q460 V461 L599 V602 R603 | E457-Q460 PolarHBondContact O-N 3.04Å; E457-V461 WeakPolarHBondContact O-CG2 3.37Å; E457-V461 PolarHBondContact O-N 2.69Å; E457-L599 HydrophobicContact CG-CD1 3.6Å; E457-L599 WeakPolarHBondContact OE1-CD1 3.5Å; E457-V602 HydrophobicContact CG-CG1 4.45Å; E457-R603 IonicContact OE1-CZ 3.5Å; E457-R603 IonicContact OE1-NE 3.33Å; E457-R603 PolarHBondContact OE1-NE 3.27Å; E457-R603 IonicContact OE1-NH2 2.79Å; E457-R603 PolarHBondContact OE1-NH2 3.29Å; E457-R603 WeakPolarHBondContact OE2-CG 3.41Å; E457-R603 IonicContact OE2-CZ 3.85Å; E457-R603 IonicContact OE2-NE 2.92Å; E457-R603 PolarHBondContact OE2-NE 3.15Å; E457-R603 IonicContact OE2-NH2 3.88Å |
| 458 | N | 95.7 | Very high | 97.3 | Very high | 106 Ų | 106 | 29 Ų | 29 | 57% | 0.567 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -68.6 | -44 | -178.4 | -66.2 | -36.3 | 0 | 0 | 0 | 111 | D456 Q460 V461 E462 | D456-N458 WeakPolarHBondContact OD1-CB 3.48Å; D456-N458 PolarHBondContact OD1-N 3.4Å; N458-Q460 VanDerWaalsContact C-N 3.3Å; N458-Q460 PolarHBondContact O-N 2.98Å; N458-V461 WeakPolarHBondContact O-CB 3.22Å; N458-V461 PolarHBondContact O-N 3.16Å; N458-V461 VanDerWaalsContact O-N 3.16Å; N458-E462 PolarHBondContact O-N 3Å |
| 459 | Q | 96.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 29 Ų | 29 | 36% | 0.355 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 172.5 | -72.2 | 177.6 | 53.3 | 0 | 0 | 111.9 | L454 D456 V461 E462 N463 L515 | L454-Q459 HydrophobicContact CB-CB 4.43Å; L454-Q459 HydrophobicContact CD1-CB 3.88Å; D456-Q459 HydrophobicContact CB-CB 4.13Å; D456-Q459 HydrophobicContact CB-CG 4.22Å; D456-Q459 WeakPolarHBondContact OD1-CB 3.48Å; D456-Q459 VanDerWaalsContact OD1-CG 3.28Å; D456-Q459 WeakPolarHBondContact OD1-CG 3.47Å; D456-Q459 PolarHBondContact OD1-N 3.02Å; Q459-V461 VanDerWaalsContact C-N 3.3Å; Q459-V461 PolarHBondContact O-N 3.14Å; Q459-E462 PolarHBondContact O-N 2.68Å; Q459-N463 VanDerWaalsContact O-CB 3.23Å; Q459-N463 WeakPolarHBondContact O-CB 3.5Å; Q459-N463 PolarHBondContact O-N 3.08Å; Q459-L515 HydrophobicContact CB-CD1 3.83Å; Q459-L515 HydrophobicContact CG-CD1 3.99Å |
| 460 | Q | 97.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 175.6 | -172.9 | 59.1 | 33 | 0 | 0 | 112 | N452 L454 D456 E457 N458 N463 M464 V602 | N452-Q460 PolarHBondContact O-OE1 3.13Å; L454-Q460 HydrophobicContact CB-CB 4.32Å; D456-Q460 WeakPolarHBondContact O-CB 3.44Å; D456-Q460 PolarHBondContact O-N 3.37Å; E457-Q460 PolarHBondContact O-N 3.04Å; N458-Q460 VanDerWaalsContact C-N 3.3Å; N458-Q460 PolarHBondContact O-N 2.98Å; Q460-N463 PolarHBondContact O-N 3.18Å; Q460-N463 PolarHBondContact OE1-ND2 3.18Å; Q460-M464 HydrophobicContact CG-SD 4.4Å; Q460-M464 WeakPolarHBondContact O-CG 3.42Å; Q460-M464 PolarHBondContact O-N 3.38Å; Q460-M464 VanDerWaalsContact O-N 3.08Å; Q460-V602 HydrophobicContact CG-CG1 4.23Å; Q460-V602 HydrophobicContact CG-CG2 4.19Å |
| 461 | V | 98.2 | Very high | 97.3 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.6 | -52 | 172.4 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | E457 N458 Q459 N463 M464 L465 R595 I598 L599 V602 | E457-V461 WeakPolarHBondContact O-CG2 3.37Å; E457-V461 PolarHBondContact O-N 2.69Å; N458-V461 WeakPolarHBondContact O-CB 3.22Å; N458-V461 PolarHBondContact O-N 3.16Å; N458-V461 VanDerWaalsContact O-N 3.16Å; Q459-V461 VanDerWaalsContact C-N 3.3Å; Q459-V461 PolarHBondContact O-N 3.14Å; V461-N463 PolarHBondContact O-N 2.87Å; V461-M464 PolarHBondContact O-N 2.91Å; V461-M464 VanDerWaalsContact O-N 3.11Å; V461-L465 WeakPolarHBondContact O-CB 3.48Å; V461-L465 PolarHBondContact O-N 2.96Å; V461-R595 HydrophobicContact CG1-CB 4.22Å; V461-R595 HydrophobicContact CG1-CG 4.24Å; V461-I598 HydrophobicContact CB-CG2 4.18Å; V461-I598 HydrophobicContact CG1-CB 4.16Å; V461-I598 HydrophobicContact CG1-CG2 3.89Å; V461-I598 HydrophobicContact CG2-CG2 4.2Å; V461-L599 HydrophobicContact CG2-CB 3.93Å; V461-L599 HydrophobicContact CG2-CD1 3.89Å; V461-V602 HydrophobicContact CG2-CG2 4.35Å |
| 462 | E | 97.4 | Very high | 97.2 | Very high | 49 Ų | 49 | 28 Ų | 28 | 23% | 0.229 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 177.9 | -65 | -51.5 | 111.5 | 0 | 0 | 111.8 | N458 Q459 M464 L465 L515 H516 R595 | N458-E462 PolarHBondContact O-N 3Å; Q459-E462 PolarHBondContact O-N 2.68Å; E462-M464 VanDerWaalsContact C-N 3.3Å; E462-M464 PolarHBondContact O-N 3.07Å; E462-L465 WeakPolarHBondContact O-CB 3.15Å; E462-L465 PolarHBondContact O-N 3.19Å; E462-L515 HydrophobicContact CB-CD1 4.1Å; E462-L515 HydrophobicContact CB-CD2 3.95Å; E462-H516 PolarHBondContact O-CE1 3.11Å; E462-R595 WeakPolarHBondContact OE1-CD 3.33Å; E462-R595 IonicContact OE1-CZ 3.91Å; E462-R595 IonicContact OE1-NE 3.11Å; E462-R595 PolarHBondContact OE1-NE 3.14Å; E462-R595 IonicContact OE1-NH2 3.51Å; E462-R595 IonicContact OE2-CZ 3.72Å; E462-R595 IonicContact OE2-NE 3.67Å; E462-R595 PolarHBondContact OE2-NE 2.8Å; E462-R595 IonicContact OE2-NH2 2.74Å; E462-R595 PolarHBondContact OE2-NH2 2.71Å |
| 463 | N | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -34.1 | 179 | 177.9 | 24.6 | 0 | 0 | 0 | 112 | N452 L454 Q459 Q460 V461 P467 L515 Y518 | N452-N463 PolarHBondContact O-ND2 3.46Å; L454-N463 HydrophobicContact CD1-CB 3.79Å; Q459-N463 VanDerWaalsContact O-CB 3.23Å; Q459-N463 WeakPolarHBondContact O-CB 3.5Å; Q459-N463 PolarHBondContact O-N 3.08Å; Q460-N463 PolarHBondContact O-N 3.18Å; Q460-N463 PolarHBondContact OE1-ND2 3.18Å; V461-N463 PolarHBondContact O-N 2.87Å; N463-P467 WeakPolarHBondContact O-CD 3.28Å; N463-L515 HydrophobicContact CB-CD2 3.82Å; N463-L515 HydrophobicContact CB-CG 4.22Å; N463-L515 PolarHBondContact OD1-O 3.15Å; N463-Y518 WeakPolarHBondContact O-CE1 3.29Å; N463-Y518 PolarHBondContact O-OH 3.2Å; N463-Y518 VanDerWaalsContact OD1-CE1 3.25Å; N463-Y518 WeakPolarHBondContact OD1-CE1 3.35Å; N463-Y518 PolarHBondContact OD1-OH 2.87Å |
| 464 | M | 98.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -88.4 | -18.3 | 176.6 | -66.3 | -174.9 | 66.6 | 0 | 0 | 113.5 | Q460 V461 E462 P467 R468 F479 F484 I598 H601 V602 | Q460-M464 HydrophobicContact CG-SD 4.4Å; Q460-M464 WeakPolarHBondContact O-CG 3.42Å; Q460-M464 PolarHBondContact O-N 3.38Å; Q460-M464 VanDerWaalsContact O-N 3.08Å; V461-M464 PolarHBondContact O-N 2.91Å; V461-M464 VanDerWaalsContact O-N 3.11Å; E462-M464 VanDerWaalsContact C-N 3.3Å; E462-M464 PolarHBondContact O-N 3.07Å; M464-P467 WeakPolarHBondContact O-CD 3.31Å; M464-R468 PolarHBondContact O-N 2.93Å; M464-F479 HydrophobicContact CE-CE2 4.43Å; M464-F479 HydrophobicContact CE-CZ 3.84Å; M464-F479 WeakPolarHBondContact O-CE2 3.35Å; M464-F484 HydrophobicContact CB-CZ 4.35Å; M464-F484 HydrophobicContact CE-CD2 3.9Å; M464-F484 HydrophobicContact CE-CE2 3.97Å; M464-F484 HydrophobicContact CG-CD1 3.95Å; M464-F484 HydrophobicContact CG-CD2 3.91Å; M464-F484 HydrophobicContact CG-CE1 3.83Å; M464-F484 HydrophobicContact CG-CE2 3.81Å; M464-F484 HydrophobicContact CG-CG 3.98Å; M464-F484 HydrophobicContact CG-CZ 3.76Å; M464-F484 HydrophobicContact SD-CD2 4.1Å; M464-F484 HydrophobicContact SD-CE2 4.42Å; M464-F484 HydrophobicContact SD-CG 4.32Å; M464-I598 HydrophobicContact CB-CD1 4.5Å; M464-I598 HydrophobicContact CB-CG2 3.79Å; M464-H601 VanDerWaalsContact CE-CD2 3.43Å; M464-H601 WeakPolarHBondContact CE-CD2 3.17Å; M464-V602 HydrophobicContact SD-CG2 3.65Å |
| 465 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | -179.2 | -172.9 | 61.9 | 0 | 0 | 0 | 111.5 | V461 E462 R468 L469 M574 L591 L594 R595 I598 | V461-L465 WeakPolarHBondContact O-CB 3.48Å; V461-L465 PolarHBondContact O-N 2.96Å; E462-L465 WeakPolarHBondContact O-CB 3.15Å; E462-L465 PolarHBondContact O-N 3.19Å; L465-R468 WeakPolarHBondContact O-CB 3.47Å; L465-R468 PolarHBondContact O-N 3.23Å; L465-R468 VanDerWaalsContact O-N 3.16Å; L465-L469 HydrophobicContact CG-CD1 4.4Å; L465-L469 WeakPolarHBondContact O-CG 3.35Å; L465-L469 PolarHBondContact O-N 3.37Å; L465-M574 HydrophobicContact CB-CE 3.94Å; L465-M574 HydrophobicContact CD2-CE 4.15Å; L465-M574 HydrophobicContact CD2-SD 3.7Å; L465-M574 HydrophobicContact CG-CE 4.08Å; L465-M574 HydrophobicContact CG-SD 4.11Å; L465-L591 HydrophobicContact CD1-CD1 4Å; L465-L591 HydrophobicContact CD2-CD1 3.87Å; L465-L591 HydrophobicContact CD2-CG 4.2Å; L465-L591 HydrophobicContact CG-CD1 4.1Å; L465-L594 HydrophobicContact CD1-CB 4.13Å; L465-L594 HydrophobicContact CD1-CD2 3.53Å; L465-L594 HydrophobicContact CD1-CG 3.52Å; L465-R595 HydrophobicContact CD1-CG 4.16Å; L465-R595 HydrophobicContact CD2-CG 3.67Å; L465-I598 HydrophobicContact CD1-CG1 4.41Å |
| 466 | Y | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | -179.4 | -179.8 | -114.8 | 0 | 0 | 0 | 113.1 | F246 Y434 M449 R468 L469 I470 Y518 V567 A571 | F246-Y466 WeakPolarHBondContact CZ-OH 3.3Å; Y434-Y466 HydrophobicContact CD1-CD1 4.27Å; Y434-Y466 AromaticContact CD1-CE1 3.98Å; Y434-Y466 HydrophobicContact CD1-CE1 3.98Å; Y434-Y466 HydrophobicContact CD1-CE2 4.32Å; Y434-Y466 HydrophobicContact CE1-CD1 4.09Å; Y434-Y466 AromaticContact CE1-CD2 3.73Å; Y434-Y466 HydrophobicContact CE1-CD2 3.73Å; Y434-Y466 HydrophobicContact CE1-CE1 4.07Å; Y434-Y466 AromaticContact CE1-CE2 3.74Å; Y434-Y466 HydrophobicContact CE1-CE2 3.74Å; Y434-Y466 AromaticContact CE1-CG 3.89Å; Y434-Y466 HydrophobicContact CE1-CG 3.89Å; Y434-Y466 AromaticContact CE1-CZ 3.9Å; M449-Y466 HydrophobicContact CE-CE1 4.36Å; Y466-R468 PolarHBondContact O-N 3.41Å; Y466-L469 WeakPolarHBondContact O-CB 3.48Å; Y466-L469 PolarHBondContact O-N 3.4Å; Y466-L469 VanDerWaalsContact O-N 3.12Å; Y466-I470 HydrophobicContact CD1-CD1 3.91Å; Y466-I470 HydrophobicContact CE1-CD1 3.63Å; Y466-I470 HydrophobicContact CE2-CD1 4.43Å; Y466-I470 HydrophobicContact CG-CD1 4.46Å; Y466-I470 WeakPolarHBondContact O-CG1 3.23Å; Y466-I470 PolarHBondContact O-N 2.91Å; Y466-Y518 HydrophobicContact CD1-CD2 4.04Å; Y466-Y518 AromaticContact CD1-CE2 3.46Å; Y466-Y518 HydrophobicContact CD1-CE2 3.46Å; Y466-Y518 VanDerWaalsContact CD1-CE2 3.46Å; Y466-Y518 HydrophobicContact CE1-CD2 4.29Å; Y466-Y518 HydrophobicContact CE1-CE2 4.09Å; Y466-Y518 HydrophobicContact CG-CE2 4.37Å; Y466-V567 WeakPolarHBondContact OH-CG1 3.49Å; Y466-V567 PolarHBondContact OH-O 2.61Å; Y466-A571 HydrophobicContact CE2-CB 4.3Å |
| 467 | P | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -27.5 | 174.8 | -29.4 | 42.6 | 0 | 0 | 0 | 113.7 | M449 N463 M464 I470 A471 F477 F479 F484 Y518 | M449-P467 HydrophobicContact CB-CG 4.35Å; M449-P467 HydrophobicContact SD-CB 4.13Å; M449-P467 HydrophobicContact SD-CG 3.67Å; N463-P467 WeakPolarHBondContact O-CD 3.28Å; M464-P467 WeakPolarHBondContact O-CD 3.31Å; P467-I470 PolarHBondContact O-N 3.34Å; P467-A471 PolarHBondContact O-N 3.27Å; P467-A471 VanDerWaalsContact O-N 3.15Å; P467-F477 HydrophobicContact CB-CE1 3.95Å; P467-F477 HydrophobicContact CB-CZ 4.04Å; P467-F477 WeakPolarHBondContact O-CE1 3.23Å; P467-F479 HydrophobicContact CB-CD2 4.25Å; P467-F479 HydrophobicContact CB-CE2 4.48Å; P467-F484 HydrophobicContact CB-CZ 4.44Å; P467-F484 HydrophobicContact CG-CZ 3.96Å; P467-Y518 HydrophobicContact CG-CD1 4.38Å; P467-Y518 HydrophobicContact CG-CE1 3.96Å |
| 468 | R | 98.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 17 Ų | 17 | 11% | 0.109 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -71.2 | -39.8 | 174.1 | -176.8 | 62.6 | -170.3 | 139.7 | 0.5 | 112.1 | M464 L465 Y466 I470 A471 I472 F479 E587 H588 L594 I598 | M464-R468 PolarHBondContact O-N 2.93Å; L465-R468 WeakPolarHBondContact O-CB 3.47Å; L465-R468 PolarHBondContact O-N 3.23Å; L465-R468 VanDerWaalsContact O-N 3.16Å; Y466-R468 PolarHBondContact O-N 3.41Å; R468-I470 VanDerWaalsContact C-N 3.28Å; R468-I470 PolarHBondContact O-N 2.95Å; R468-A471 WeakPolarHBondContact O-CB 3.27Å; R468-A471 PolarHBondContact O-N 2.96Å; R468-A471 VanDerWaalsContact O-N 3.14Å; R468-I472 PolarHBondContact O-N 3.08Å; R468-F479 HydrophobicContact CB-CD2 3.85Å; R468-F479 HydrophobicContact CB-CE2 3.73Å; R468-F479 HydrophobicContact CB-CG 4.44Å; R468-F479 HydrophobicContact CB-CZ 4.23Å; R468-E587 IonicContact CZ-OE1 3.19Å; R468-E587 IonicContact NH2-OE1 3.88Å; R468-E587 PolarHBondContact NH2-OE1 3.4Å; R468-H588 PolarHBondContact NH2-NE2 3.2Å; R468-L594 HydrophobicContact CG-CD1 3.64Å; R468-L594 HydrophobicContact CG-CD2 4.3Å; R468-L594 HydrophobicContact CG-CG 4.34Å; R468-I598 HydrophobicContact CB-CD1 3.82Å; R468-I598 HydrophobicContact CG-CD1 3.96Å |
| 469 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | 172 | -70.5 | 169.4 | 0 | 0 | 0 | 111.5 | L465 Y466 A471 I472 N473 S570 D573 M574 L583 L591 L594 | L465-L469 HydrophobicContact CG-CD1 4.4Å; L465-L469 WeakPolarHBondContact O-CG 3.35Å; L465-L469 PolarHBondContact O-N 3.37Å; Y466-L469 WeakPolarHBondContact O-CB 3.48Å; Y466-L469 PolarHBondContact O-N 3.4Å; Y466-L469 VanDerWaalsContact O-N 3.12Å; L469-A471 VanDerWaalsContact C-N 3.29Å; L469-A471 PolarHBondContact O-N 3.41Å; L469-I472 HydrophobicContact CD2-CD1 4.38Å; L469-I472 WeakPolarHBondContact O-CB 3.39Å; L469-I472 PolarHBondContact O-N 3.35Å; L469-I472 VanDerWaalsContact O-N 3.12Å; L469-N473 PolarHBondContact O-N 3.17Å; L469-N473 VanDerWaalsContact O-N 3.11Å; L469-N473 PolarHBondContact O-ND2 3.24Å; L469-S570 PolarHBondContact O-OG 3.34Å; L469-S570 VanDerWaalsContact O-OG 3.13Å; L469-D573 HydrophobicContact CD1-CB 4Å; L469-D573 HydrophobicContact CD2-CB 3.85Å; L469-D573 HydrophobicContact CG-CB 4.37Å; L469-M574 HydrophobicContact CD1-CB 4.02Å; L469-M574 HydrophobicContact CD1-SD 4.32Å; L469-L583 HydrophobicContact CD2-CD1 4.38Å; L469-L583 HydrophobicContact CD2-CD2 4.13Å; L469-L591 HydrophobicContact CD1-CD1 4.09Å; L469-L591 HydrophobicContact CD2-CD1 4.17Å; L469-L594 HydrophobicContact CD2-CD2 3.51Å; L469-L594 HydrophobicContact CG-CD2 3.94Å |
| 470 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 173.9 | -62.2 | 165.3 | 0 | 0 | 0 | 110.7 | M449 Y466 P467 R468 I472 N473 S474 F477 A566 V567 S570 | M449-I470 HydrophobicContact CE-CD1 3.42Å; M449-I470 VanDerWaalsContact CE-CD1 3.42Å; M449-I470 HydrophobicContact SD-CD1 3.94Å; Y466-I470 HydrophobicContact CD1-CD1 3.91Å; Y466-I470 HydrophobicContact CE1-CD1 3.63Å; Y466-I470 HydrophobicContact CE2-CD1 4.43Å; Y466-I470 HydrophobicContact CG-CD1 4.46Å; Y466-I470 WeakPolarHBondContact O-CG1 3.23Å; Y466-I470 PolarHBondContact O-N 2.91Å; P467-I470 PolarHBondContact O-N 3.34Å; R468-I470 VanDerWaalsContact C-N 3.28Å; R468-I470 PolarHBondContact O-N 2.95Å; I470-I472 VanDerWaalsContact C-N 3.3Å; I470-I472 PolarHBondContact O-N 2.91Å; I470-N473 CarbonylContact O-C 3.08Å; I470-N473 PolarHBondContact O-N 2.89Å; I470-N473 VanDerWaalsContact O-N 3.11Å; I470-S474 WeakPolarHBondContact O-CB 3.47Å; I470-S474 PolarHBondContact O-N 3.25Å; I470-F477 HydrophobicContact CB-CD1 4.17Å; I470-F477 HydrophobicContact CB-CD2 4.42Å; I470-F477 HydrophobicContact CB-CE1 4.24Å; I470-F477 HydrophobicContact CB-CE2 4.48Å; I470-F477 HydrophobicContact CB-CG 4.25Å; I470-F477 HydrophobicContact CB-CZ 4.39Å; I470-F477 HydrophobicContact CG2-CB 3.98Å; I470-F477 HydrophobicContact CG2-CD1 3.96Å; I470-F477 HydrophobicContact CG2-CD2 3.49Å; I470-F477 VanDerWaalsContact CG2-CD2 3.49Å; I470-F477 HydrophobicContact CG2-CE1 4.31Å; I470-F477 HydrophobicContact CG2-CE2 3.87Å; I470-F477 HydrophobicContact CG2-CG 3.53Å; I470-F477 HydrophobicContact CG2-CZ 4.26Å; I470-A566 HydrophobicContact CG2-CB 4.12Å; I470-V567 HydrophobicContact CD1-CG2 4.03Å; I470-V567 HydrophobicContact CG2-CG2 4.42Å; I470-S570 WeakPolarHBondContact CA-OG 3.37Å; I470-S570 PolarHBondContact N-OG 3.14Å; I470-S570 VanDerWaalsContact N-OG 3.14Å |
| 471 | A | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P467 R468 L469 N473 S474 F477 F479 N531 | P467-A471 PolarHBondContact O-N 3.27Å; P467-A471 VanDerWaalsContact O-N 3.15Å; R468-A471 WeakPolarHBondContact O-CB 3.27Å; R468-A471 PolarHBondContact O-N 2.96Å; R468-A471 VanDerWaalsContact O-N 3.14Å; L469-A471 VanDerWaalsContact C-N 3.29Å; L469-A471 PolarHBondContact O-N 3.41Å; A471-N473 VanDerWaalsContact C-N 3.3Å; A471-S474 VanDerWaalsContact O-O 3.1Å; A471-F477 HydrophobicContact CB-CD1 4.04Å; A471-F479 HydrophobicContact CB-CB 3.91Å; A471-N531 PolarHBondContact O-ND2 3.03Å |
| 472 | I | 96.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.6 | -32.6 | 173.6 | -66.8 | 171.1 | 0 | 0 | 0 | 110.7 | R468 L469 I470 P534 R582 L583 L594 | R468-I472 PolarHBondContact O-N 3.08Å; L469-I472 HydrophobicContact CD2-CD1 4.38Å; L469-I472 WeakPolarHBondContact O-CB 3.39Å; L469-I472 PolarHBondContact O-N 3.35Å; L469-I472 VanDerWaalsContact O-N 3.12Å; I470-I472 VanDerWaalsContact C-N 3.3Å; I470-I472 PolarHBondContact O-N 2.91Å; I472-P534 HydrophobicContact CG2-CG 4.33Å; I472-R582 HydrophobicContact CG2-CB 3.8Å; I472-R582 WeakPolarHBondContact O-CD 3.41Å; I472-L583 HydrophobicContact CD1-CD1 3.74Å; I472-L594 HydrophobicContact CD1-CD1 4.45Å; I472-L594 HydrophobicContact CD1-CD2 4.06Å |
| 473 | N | 96.8 | Very high | 97.4 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 9% | 0.086 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -94.7 | -2.9 | -177 | -74.3 | -75 | 0 | 0 | 0 | 115 | L469 I470 A471 A566 V569 S570 D573 | L469-N473 PolarHBondContact O-N 3.17Å; L469-N473 VanDerWaalsContact O-N 3.11Å; L469-N473 PolarHBondContact O-ND2 3.24Å; I470-N473 CarbonylContact O-C 3.08Å; I470-N473 PolarHBondContact O-N 2.89Å; I470-N473 VanDerWaalsContact O-N 3.11Å; A471-N473 VanDerWaalsContact C-N 3.3Å; N473-A566 HydrophobicContact CB-CB 3.94Å; N473-V569 WeakPolarHBondContact OD1-CG1 3.4Å; N473-S570 PolarHBondContact ND2-OG 2.75Å; N473-D573 PolarHBondContact ND2-OD2 3.37Å |
| 474 | S | 95.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 3% | 0.028 | 9% | 0.085 | C | C | . | . | trans | -139.3 | 125.1 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | I470 A471 H476 F477 N531 M533 | I470-S474 WeakPolarHBondContact O-CB 3.47Å; I470-S474 PolarHBondContact O-N 3.25Å; A471-S474 VanDerWaalsContact O-O 3.1Å; S474-H476 PolarHBondContact O-N 2.61Å; S474-H476 VanDerWaalsContact O-N 3.14Å; S474-H476 PolarHBondContact OG-N 3.3Å; S474-H476 VanDerWaalsContact OG-N 3.13Å; S474-F477 PolarHBondContact OG-N 3.23Å; S474-N531 PolarHBondContact O-ND2 3.08Å; S474-M533 VanDerWaalsContact C-SD 3.55Å; S474-M533 VanDerWaalsContact CA-SD 3.56Å | ||
| 475 | A | 94.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M530 N531 M533 | A475-M530 HydrophobicContact CB-CE 3.79Å; A475-M530 CarbonylContact O-C 3.55Å; A475-M530 WeakPolarHBondContact O-CA 3.28Å; A475-N531 PolarHBondContact O-N 2.97Å; A475-M533 HydrophobicContact CB-CE 4.39Å; A475-M533 HydrophobicContact CB-CG 4.11Å; A475-M533 HydrophobicContact CB-SD 4.09Å; A475-M533 PolarHBondContact N-SD 3.36Å |
| 476 | H | 95.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 6% | 0.06 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 7.5 | -169.1 | -58.3 | -52.7 | 0 | 0 | 0 | 114.1 | C447 S474 Y555 I559 Q562 V563 | C447-H476 WeakPolarHBondContact CB-O 3.26Å; C447-H476 PolarHBondContact N-O 3.13Å; S474-H476 PolarHBondContact O-N 2.61Å; S474-H476 VanDerWaalsContact O-N 3.14Å; S474-H476 PolarHBondContact OG-N 3.3Å; S474-H476 VanDerWaalsContact OG-N 3.13Å; H476-Y555 HydrophobicContact CB-CE1 4.26Å; H476-Y555 PolarHBondContact O-OH 3.16Å; H476-I559 HydrophobicContact CB-CG2 4.06Å; H476-I559 VanDerWaalsContact CD2-CG2 3.48Å; H476-I559 WeakPolarHBondContact CD2-CG2 3.36Å; H476-Q562 PolarHBondContact CD2-OE1 3.02Å; H476-V563 HydrophobicContact CB-CG2 4.14Å |
| 477 | F | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -100.7 | 114 | 177.9 | -168.5 | -87.1 | 0 | 0 | 0 | 112 | C447 M449 P467 I470 A471 S474 F479 L520 N531 V563 | C447-F477 HydrophobicContact CB-CD2 4.34Å; C447-F477 CarbonylContact O-C 3.52Å; C447-F477 WeakPolarHBondContact O-CA 3.47Å; M449-F477 HydrophobicContact CB-CZ 4.13Å; M449-F477 HydrophobicContact CE-CE2 4.4Å; M449-F477 HydrophobicContact CG-CE2 3.97Å; M449-F477 HydrophobicContact CG-CZ 3.72Å; M449-F477 HydrophobicContact SD-CE2 4.4Å; M449-F477 HydrophobicContact SD-CZ 4.02Å; P467-F477 HydrophobicContact CB-CE1 3.95Å; P467-F477 HydrophobicContact CB-CZ 4.04Å; P467-F477 WeakPolarHBondContact O-CE1 3.23Å; I470-F477 HydrophobicContact CB-CD1 4.17Å; I470-F477 HydrophobicContact CB-CD2 4.42Å; I470-F477 HydrophobicContact CB-CE1 4.24Å; I470-F477 HydrophobicContact CB-CE2 4.48Å; I470-F477 HydrophobicContact CB-CG 4.25Å; I470-F477 HydrophobicContact CB-CZ 4.39Å; I470-F477 HydrophobicContact CG2-CB 3.98Å; I470-F477 HydrophobicContact CG2-CD1 3.96Å; I470-F477 HydrophobicContact CG2-CD2 3.49Å; I470-F477 VanDerWaalsContact CG2-CD2 3.49Å; I470-F477 HydrophobicContact CG2-CE1 4.31Å; I470-F477 HydrophobicContact CG2-CE2 3.87Å; I470-F477 HydrophobicContact CG2-CG 3.53Å; I470-F477 HydrophobicContact CG2-CZ 4.26Å; A471-F477 HydrophobicContact CB-CD1 4.04Å; S474-F477 PolarHBondContact OG-N 3.23Å; F477-F479 PolarHBondContact O-N 2.96Å; F477-L520 HydrophobicContact CE2-CG 4.49Å; F477-N531 PolarHBondContact O-ND2 2.84Å; F477-V563 HydrophobicContact CD2-CG1 4.3Å |
| 478 | D | 97 | Very high | 96.9 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 16% | 0.161 | C | C | . | . | trans | -88.4 | 92 | -178.3 | -177.5 | 5.1 | 0 | 0 | 0 | 110.8 | C447 F448 L480 G481 C482 | C447-D478 PolarHBondContact O-N 3.28Å; F448-D478 WeakPolarHBondContact CB-O 3.46Å; D478-L480 VanDerWaalsContact C-N 3.33Å; D478-L480 PolarHBondContact O-N 3.43Å; D478-L480 PolarHBondContact OD1-N 2.83Å; D478-G481 VanDerWaalsContact CG-N 3.27Å; D478-G481 VanDerWaalsContact O-CA 3.3Å; D478-G481 WeakPolarHBondContact O-CA 3.1Å; D478-G481 PolarHBondContact O-N 2.85Å; D478-G481 PolarHBondContact OD1-N 2.9Å; D478-C482 PolarHBondContact O-N 2.66Å | ||
| 479 | F | 97.7 | Very high | 96.8 | Very high | 10 Ų | 10 | 31 Ų | 31 | 4% | 0.044 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -60.1 | -40.3 | 176.4 | 175.4 | -103.7 | 0 | 0 | 0 | 112.6 | M464 P467 R468 A471 F477 G481 C482 W597 I598 | M464-F479 HydrophobicContact CE-CE2 4.43Å; M464-F479 HydrophobicContact CE-CZ 3.84Å; M464-F479 WeakPolarHBondContact O-CE2 3.35Å; P467-F479 HydrophobicContact CB-CD2 4.25Å; P467-F479 HydrophobicContact CB-CE2 4.48Å; R468-F479 HydrophobicContact CB-CD2 3.85Å; R468-F479 HydrophobicContact CB-CE2 3.73Å; R468-F479 HydrophobicContact CB-CG 4.44Å; R468-F479 HydrophobicContact CB-CZ 4.23Å; A471-F479 HydrophobicContact CB-CB 3.91Å; F477-F479 PolarHBondContact O-N 2.96Å; F479-G481 PolarHBondContact O-N 2.95Å; F479-C482 WeakPolarHBondContact O-CB 3.29Å; F479-C482 PolarHBondContact O-N 2.81Å; F479-C482 PolarHBondContact O-SG 3.44Å; F479-C482 VanDerWaalsContact O-SG 3.38Å; F479-W597 HydrophobicContact CD1-CH2 4.4Å; F479-W597 HydrophobicContact CD1-CZ3 4.39Å; F479-W597 HydrophobicContact CE1-CH2 4.02Å; F479-W597 AromaticContact CE1-CZ3 3.74Å; F479-W597 HydrophobicContact CE1-CZ3 3.74Å; F479-W597 HydrophobicContact CZ-CZ3 4.4Å; F479-I598 HydrophobicContact CE1-CD1 4.13Å; F479-I598 HydrophobicContact CE2-CD1 4.17Å; F479-I598 HydrophobicContact CZ-CD1 3.5Å; F479-I598 VanDerWaalsContact CZ-CD1 3.5Å |
| 480 | L | 95.9 | Very high | 96.7 | Very high | 132 Ų | 132 | 35 Ų | 35 | 69% | 0.691 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -69 | -19.2 | 176.7 | -59.6 | 179.5 | 0 | 0 | 0 | 111.7 | D478 C482 | D478-L480 VanDerWaalsContact C-N 3.33Å; D478-L480 PolarHBondContact O-N 3.43Å; D478-L480 PolarHBondContact OD1-N 2.83Å; L480-C482 VanDerWaalsContact C-N 3.26Å |
| 481 | G | 96.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -72.4 | -12.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K444 F448 D478 F479 | K444-G481 VanDerWaalsContact CE-O 3.28Å; K444-G481 WeakPolarHBondContact CE-O 3.48Å; K444-G481 VanDerWaalsContact NZ-C 3.3Å; K444-G481 PolarHBondContact NZ-O 3.39Å; F448-G481 WeakPolarHBondContact CD2-O 3.41Å; F448-G481 WeakPolarHBondContact CG-O 3.45Å; D478-G481 VanDerWaalsContact CG-N 3.27Å; D478-G481 VanDerWaalsContact O-CA 3.3Å; D478-G481 WeakPolarHBondContact O-CA 3.1Å; D478-G481 PolarHBondContact O-N 2.85Å; D478-G481 PolarHBondContact OD1-N 2.9Å; F479-G481 PolarHBondContact O-N 2.95Å |
| 482 | C | 98.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | trans | -71.9 | 155.8 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | M449 D478 F479 L480 F484 | M449-C482 PolarHBondContact N-SG 3.21Å; M449-C482 CarbonylContact O-C 3.59Å; M449-C482 WeakPolarHBondContact O-CA 3.36Å; M449-C482 WeakPolarHBondContact O-CB 3.25Å; D478-C482 PolarHBondContact O-N 2.66Å; F479-C482 WeakPolarHBondContact O-CB 3.29Å; F479-C482 PolarHBondContact O-N 2.81Å; F479-C482 PolarHBondContact O-SG 3.44Å; F479-C482 VanDerWaalsContact O-SG 3.38Å; L480-C482 VanDerWaalsContact C-N 3.26Å; C482-F484 HydrophobicContact CB-CD2 4.28Å; C482-F484 HydrophobicContact CB-CE2 3.49Å; C482-F484 VanDerWaalsContact CB-CE2 3.49Å; C482-F484 HydrophobicContact CB-CZ 4.24Å | ||
| 483 | N | 97.6 | Very high | 95.8 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -140.7 | 121.2 | 177.6 | -172.2 | -28.9 | 0 | 0 | 0 | 110.9 | M449 Y450 G451 S485 N488 | M449-N483 PolarHBondContact O-N 3.12Å; Y450-N483 WeakPolarHBondContact CA-O 3.38Å; Y450-N483 HydrophobicContact CD1-CB 3.75Å; Y450-N483 HydrophobicContact CE1-CB 3.99Å; G451-N483 PolarHBondContact N-O 3.46Å; G451-N483 VanDerWaalsContact N-O 3.11Å; N483-S485 WeakPolarHBondContact OD1-CB 3.3Å; N483-S485 PolarHBondContact OD1-N 3.38Å; N483-S485 PolarHBondContact OD1-OG 3.05Å; N483-N488 WeakPolarHBondContact OD1-CB 3.2Å |
| 484 | F | 97.6 | Very high | 95 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | trans | -121 | 17.6 | -178.4 | -59.1 | -100.9 | 0 | 0 | 0 | 112 | N453 M464 P467 C482 Y518 | N453-F484 VanDerWaalsContact CA-O 3.29Å; N453-F484 WeakPolarHBondContact CA-O 3.16Å; N453-F484 WeakPolarHBondContact CB-O 3.45Å; N453-F484 PolarHBondContact OD1-O 3.24Å; M464-F484 HydrophobicContact CB-CZ 4.35Å; M464-F484 HydrophobicContact CE-CD2 3.9Å; M464-F484 HydrophobicContact CE-CE2 3.97Å; M464-F484 HydrophobicContact CG-CD1 3.95Å; M464-F484 HydrophobicContact CG-CD2 3.91Å; M464-F484 HydrophobicContact CG-CE1 3.83Å; M464-F484 HydrophobicContact CG-CE2 3.81Å; M464-F484 HydrophobicContact CG-CG 3.98Å; M464-F484 HydrophobicContact CG-CZ 3.76Å; M464-F484 HydrophobicContact SD-CD2 4.1Å; M464-F484 HydrophobicContact SD-CE2 4.42Å; M464-F484 HydrophobicContact SD-CG 4.32Å; P467-F484 HydrophobicContact CB-CZ 4.44Å; P467-F484 HydrophobicContact CG-CZ 3.96Å; C482-F484 HydrophobicContact CB-CD2 4.28Å; C482-F484 HydrophobicContact CB-CE2 3.49Å; C482-F484 VanDerWaalsContact CB-CE2 3.49Å; C482-F484 HydrophobicContact CB-CZ 4.24Å; F484-Y518 HydrophobicContact CE1-CE1 4.05Å | ||
| 485 | S | 96.6 | Very high | 94 | Very high | 41 Ų | 41 | 61 Ų | 61 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | trans | -73.9 | 144.5 | -178.9 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | N483 K487 N488 M489 | N483-S485 WeakPolarHBondContact OD1-CB 3.3Å; N483-S485 PolarHBondContact OD1-N 3.38Å; N483-S485 PolarHBondContact OD1-OG 3.05Å; S485-K487 PolarHBondContact O-N 3.27Å; S485-N488 WeakPolarHBondContact O-CB 3.03Å; S485-N488 PolarHBondContact O-N 3.4Å; S485-N488 WeakPolarHBondContact OG-CB 3.29Å; S485-N488 PolarHBondContact OG-N 3.04Å; S485-M489 PolarHBondContact O-N 3.25Å | ||
| 486 | E | 96 | Very high | 93.1 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 173.4 | -175.4 | 173.3 | -140.1 | 0 | 0 | 111.8 | N453 N488 M489 Y490 | N453-E486 HydrophobicContact CB-CB 3.94Å; E486-N488 PolarHBondContact O-N 2.98Å; E486-N488 VanDerWaalsContact O-N 3.14Å; E486-M489 WeakPolarHBondContact O-CB 3.1Å; E486-M489 PolarHBondContact O-N 3.17Å; E486-Y490 HydrophobicContact CG-CD2 3.68Å; E486-Y490 HydrophobicContact CG-CE2 3.61Å; E486-Y490 WeakPolarHBondContact O-CD2 3.17Å; E486-Y490 PolarHBondContact O-N 3.26Å |
| 487 | K | 96.7 | Very high | 92.7 | Very high | 181 Ų | 181 | 64.8 Ų | 64.8 | 79% | 0.787 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -52.2 | -37.5 | 172.9 | -178.5 | 176.3 | -179.9 | 173.1 | 0 | 112.4 | S485 A491 | S485-K487 PolarHBondContact O-N 3.27Å; K487-A491 VanDerWaalsContact O-CB 3.29Å; K487-A491 WeakPolarHBondContact O-CB 3.34Å; K487-A491 PolarHBondContact O-N 3.04Å; K487-A491 VanDerWaalsContact O-N 3.07Å |
| 488 | N | 96 | Very high | 92.4 | Very high | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.2 | -32.5 | 177.1 | 179 | -90.5 | 0 | 0 | 0 | 112.7 | N483 S485 E486 K500 R505 | N483-N488 WeakPolarHBondContact OD1-CB 3.2Å; S485-N488 WeakPolarHBondContact O-CB 3.03Å; S485-N488 PolarHBondContact O-N 3.4Å; S485-N488 WeakPolarHBondContact OG-CB 3.29Å; S485-N488 PolarHBondContact OG-N 3.04Å; E486-N488 PolarHBondContact O-N 2.98Å; E486-N488 VanDerWaalsContact O-N 3.14Å; N488-K500 PolarHBondContact ND2-NZ 3.41Å; N488-K500 WeakPolarHBondContact O-CD 3.43Å; N488-R505 PolarHBondContact OD1-NH1 3.23Å; N488-R505 PolarHBondContact OD1-NH2 3.46Å |
| 489 | M | 96.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 178.4 | -65.3 | 173.9 | 66.6 | 0 | 0 | 112.1 | N452 N453 S485 E486 K500 E501 V506 | N452-M489 HydrophobicContact CB-CE 3.91Å; N452-M489 HydrophobicContact CB-SD 4.02Å; N453-M489 HydrophobicContact CB-SD 3.68Å; N453-M489 PolarHBondContact N-SD 3.01Å; S485-M489 PolarHBondContact O-N 3.25Å; E486-M489 WeakPolarHBondContact O-CB 3.1Å; E486-M489 PolarHBondContact O-N 3.17Å; M489-K500 CarbonylContact O-C 3.56Å; M489-K500 WeakPolarHBondContact O-CB 3.47Å; M489-E501 PolarHBondContact O-N 3.12Å; M489-V506 HydrophobicContact CB-CG2 4.07Å; M489-V506 HydrophobicContact CE-CG1 3.82Å; M489-V506 HydrophobicContact CE-CG2 4.4Å; M489-V506 HydrophobicContact CG-CG2 4.2Å |
| 490 | Y | 96.5 | Very high | 92.2 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -107.2 | 4.9 | -173.4 | -56.7 | -66 | 0 | 0 | 0 | 114.2 | E486 R492 E501 K510 | E486-Y490 HydrophobicContact CG-CD2 3.68Å; E486-Y490 HydrophobicContact CG-CE2 3.61Å; E486-Y490 WeakPolarHBondContact O-CD2 3.17Å; E486-Y490 PolarHBondContact O-N 3.26Å; Y490-R492 PolarHBondContact O-N 3.43Å; Y490-E501 HydrophobicContact CD1-CB 4Å; Y490-E501 HydrophobicContact CD1-CG 4.09Å; Y490-E501 HydrophobicContact CE1-CB 4.28Å; Y490-E501 HydrophobicContact CE1-CG 3.88Å; Y490-K510 WeakPolarHBondContact OH-CE 3.34Å; Y490-K510 PolarHBondContact OH-NZ 3.36Å |
| 491 | A | 95.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 66.3 Ų | 66.3 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 133.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | K487 K500 | K487-A491 VanDerWaalsContact O-CB 3.29Å; K487-A491 WeakPolarHBondContact O-CB 3.34Å; K487-A491 PolarHBondContact O-N 3.04Å; K487-A491 VanDerWaalsContact O-N 3.07Å; A491-K500 HydrophobicContact CB-CD 4.25Å; A491-K500 WeakPolarHBondContact O-CB 3.41Å; A491-K500 WeakPolarHBondContact O-CG 3.27Å; A491-K500 PolarHBondContact O-N 3.11Å |
| 492 | R | 93.3 | Very high | 92.2 | Very high | 149 Ų | 149 | 66.4 Ų | 66.4 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | B | Isolated β-bridge | trans | -89.5 | 138.6 | 174.9 | -65.6 | 178.2 | 178.5 | -91.4 | 2.7 | 110.4 | Y490 G497 Q498 | Y490-R492 PolarHBondContact O-N 3.43Å; R492-G497 WeakPolarHBondContact CG-O 3.25Å; R492-G497 PolarHBondContact NH1-O 3.22Å; R492-G497 VanDerWaalsContact NH1-O 3.11Å; R492-Q498 WeakPolarHBondContact CA-O 3.37Å |
| 493 | D | 84.3 | Confident | 92.2 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 134.9 | 172.2 | -168.9 | -51.8 | 0 | 0 | 0 | 108.8 | R495 D496 G497 Q498 | D493-R495 PolarHBondContact O-N 2.94Å; D493-R495 VanDerWaalsContact OD1-CB 3.27Å; D493-R495 WeakPolarHBondContact OD1-CB 3.42Å; D493-R495 WeakPolarHBondContact OD1-CG 3.41Å; D493-R495 IonicContact OD1-CZ 2.89Å; D493-R495 PolarHBondContact OD1-N 3.42Å; D493-R495 IonicContact OD1-NE 3.56Å; D493-R495 PolarHBondContact OD1-NE 2.74Å; D493-R495 VanDerWaalsContact OD1-NE 3.11Å; D493-R495 IonicContact OD1-NH2 3.74Å; D493-R495 IonicContact OD2-CZ 3.67Å; D493-R495 IonicContact OD2-NE 3.26Å; D493-R495 IonicContact OD2-NH2 3.22Å; D493-R495 PolarHBondContact OD2-NH2 3.29Å; D493-D496 WeakPolarHBondContact CB-OD1 3.18Å; D493-G497 VanDerWaalsContact O-CA 3.24Å; D493-G497 WeakPolarHBondContact O-CA 3.28Å; D493-G497 PolarHBondContact O-N 2.71Å; D493-Q498 PolarHBondContact N-O 3.13Å |
| 494 | K | 80.9 | Confident | 92.3 | Very high | 212 Ų | 212 | 63.2 Ų | 63.2 | 92% | 0.922 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.3 | -177.9 | -65.9 | -174 | 176.7 | -172.1 | 0 | 112.8 | ||
| 495 | R | 73.8 | Confident | 92.3 | Very high | 147 Ų | 147 | 62.5 Ų | 62.5 | 56% | 0.555 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -44.2 | -175.1 | -63.6 | 172.7 | -69.9 | 170.4 | 1.3 | 112.4 | N71 D493 | N71-R495 PolarHBondContact OD1-NH1 3.31Å; D493-R495 PolarHBondContact O-N 2.94Å; D493-R495 VanDerWaalsContact OD1-CB 3.27Å; D493-R495 WeakPolarHBondContact OD1-CB 3.42Å; D493-R495 WeakPolarHBondContact OD1-CG 3.41Å; D493-R495 IonicContact OD1-CZ 2.89Å; D493-R495 PolarHBondContact OD1-N 3.42Å; D493-R495 IonicContact OD1-NE 3.56Å; D493-R495 PolarHBondContact OD1-NE 2.74Å; D493-R495 VanDerWaalsContact OD1-NE 3.11Å; D493-R495 IonicContact OD1-NH2 3.74Å; D493-R495 IonicContact OD2-CZ 3.67Å; D493-R495 IonicContact OD2-NE 3.26Å; D493-R495 IonicContact OD2-NH2 3.22Å; D493-R495 PolarHBondContact OD2-NH2 3.29Å |
| 496 | D | 76.9 | Confident | 92.4 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -4.6 | -173.4 | 63 | 24.5 | 0 | 0 | 0 | 113.8 | D493 Q498 | D493-D496 WeakPolarHBondContact CB-OD1 3.18Å; D496-Q498 HydrophobicContact CB-CG 4.26Å; D496-Q498 PolarHBondContact O-N 2.92Å; D496-Q498 VanDerWaalsContact O-N 3.17Å; D496-Q498 VanDerWaalsContact OD1-CB 3.29Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.25Å; D496-Q498 WeakPolarHBondContact OD1-CG 3.41Å; D496-Q498 PolarHBondContact OD1-N 3.14Å |
| 497 | G | 86.9 | Confident | 92.5 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 26% | 0.259 | S | S | . | . | trans | 72 | -0.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R492 D493 | R492-G497 WeakPolarHBondContact CG-O 3.25Å; R492-G497 PolarHBondContact NH1-O 3.22Å; R492-G497 VanDerWaalsContact NH1-O 3.11Å; D493-G497 VanDerWaalsContact O-CA 3.24Å; D493-G497 WeakPolarHBondContact O-CA 3.28Å; D493-G497 PolarHBondContact O-N 2.71Å | ||
| 498 | Q | 89.9 | Confident | 92.5 | Very high | 64 Ų | 64 | 47 Ų | 47 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -75.5 | 134.3 | -175.1 | -60.4 | -175 | 41.5 | 0 | 0 | 110.9 | R314 R492 D493 D496 | R314-Q498 HydrophobicContact CB-CB 4.33Å; R314-Q498 HydrophobicContact CG-CB 3.87Å; R314-Q498 VanDerWaalsContact CG-OE1 3.28Å; R492-Q498 WeakPolarHBondContact CA-O 3.37Å; D493-Q498 PolarHBondContact N-O 3.13Å; D496-Q498 HydrophobicContact CB-CG 4.26Å; D496-Q498 PolarHBondContact O-N 2.92Å; D496-Q498 VanDerWaalsContact O-N 3.17Å; D496-Q498 VanDerWaalsContact OD1-CB 3.29Å; D496-Q498 WeakPolarHBondContact OD1-CB 3.25Å; D496-Q498 WeakPolarHBondContact OD1-CG 3.41Å; D496-Q498 PolarHBondContact OD1-N 3.14Å | ||
| 499 | S | 94.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 48 Ų | 48 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 142.2 | -179.2 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | R314 E501 G502 | R314-S499 WeakPolarHBondContact CD-O 3.32Å; S499-E501 PolarHBondContact O-N 2.92Å; S499-E501 VanDerWaalsContact O-N 3.15Å; S499-E501 VanDerWaalsContact OG-CB 3.27Å; S499-E501 WeakPolarHBondContact OG-CB 3.42Å; S499-E501 PolarHBondContact OG-N 3.11Å; S499-E501 VanDerWaalsContact OG-N 3.11Å; S499-G502 PolarHBondContact O-N 3.45Å |
| 500 | K | 95.8 | Very high | 92.6 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -64.5 | -8.2 | 167.9 | -77.1 | -179.3 | 180 | -168.4 | 0 | 113.6 | N488 M489 A491 G502 S503 | N488-K500 PolarHBondContact ND2-NZ 3.41Å; N488-K500 WeakPolarHBondContact O-CD 3.43Å; M489-K500 CarbonylContact O-C 3.56Å; M489-K500 WeakPolarHBondContact O-CB 3.47Å; A491-K500 HydrophobicContact CB-CD 4.25Å; A491-K500 WeakPolarHBondContact O-CB 3.41Å; A491-K500 WeakPolarHBondContact O-CG 3.27Å; A491-K500 PolarHBondContact O-N 3.11Å; K500-G502 PolarHBondContact O-N 3.4Å; K500-S503 WeakPolarHBondContact O-CB 3.45Å; K500-S503 PolarHBondContact O-N 3.35Å; K500-S503 PolarHBondContact O-OG 3.3Å |
| 501 | E | 97.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -57.6 | -33.9 | 169 | -167.7 | -180 | -172 | 0 | 0 | 112.3 | L317 M489 Y490 S499 S503 V506 K510 | L317-E501 HydrophobicContact CD1-CB 4.39Å; L317-E501 HydrophobicContact CD1-CG 3.99Å; L317-E501 HydrophobicContact CD2-CG 4.34Å; M489-E501 PolarHBondContact O-N 3.12Å; Y490-E501 HydrophobicContact CD1-CB 4Å; Y490-E501 HydrophobicContact CD1-CG 4.09Å; Y490-E501 HydrophobicContact CE1-CB 4.28Å; Y490-E501 HydrophobicContact CE1-CG 3.88Å; S499-E501 PolarHBondContact O-N 2.92Å; S499-E501 VanDerWaalsContact O-N 3.15Å; S499-E501 VanDerWaalsContact OG-CB 3.27Å; S499-E501 WeakPolarHBondContact OG-CB 3.42Å; S499-E501 PolarHBondContact OG-N 3.11Å; S499-E501 VanDerWaalsContact OG-N 3.11Å; E501-S503 PolarHBondContact O-N 3.18Å; E501-V506 HydrophobicContact CG-CG1 4.23Å; E501-K510 HydrophobicContact CG-CD 4.47Å; E501-K510 IonicContact OE1-NZ 3.26Å; E501-K510 PolarHBondContact OE1-NZ 2.9Å |
| 502 | G | 96.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -71.8 | -4.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R314 Q315 Y316 S499 K500 | R314-G502 CarbonylContact C-O 3.59Å; R314-G502 VanDerWaalsContact CA-O 3.23Å; R314-G502 WeakPolarHBondContact CA-O 3.48Å; R314-G502 WeakPolarHBondContact O-CA 3.31Å; Q315-G502 PolarHBondContact N-O 3.14Å; Y316-G502 WeakPolarHBondContact CB-O 3.43Å; Y316-G502 PolarHBondContact N-O 2.73Å; Y316-G502 VanDerWaalsContact N-O 3.08Å; S499-G502 PolarHBondContact O-N 3.45Å; K500-G502 PolarHBondContact O-N 3.4Å |
| 503 | S | 98.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.028 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -73.6 | 150.5 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | N313 K500 E501 R505 V506 A507 | N313-S503 VanDerWaalsContact O-CA 3.25Å; N313-S503 WeakPolarHBondContact O-CA 3.16Å; N313-S503 VanDerWaalsContact OD1-CA 3.28Å; N313-S503 WeakPolarHBondContact OD1-CA 3.42Å; N313-S503 WeakPolarHBondContact OD1-CB 3.33Å; K500-S503 WeakPolarHBondContact O-CB 3.45Å; K500-S503 PolarHBondContact O-N 3.35Å; K500-S503 PolarHBondContact O-OG 3.3Å; E501-S503 PolarHBondContact O-N 3.18Å; S503-R505 VanDerWaalsContact C-N 3.27Å; S503-R505 PolarHBondContact O-N 3.03Å; S503-V506 PolarHBondContact O-N 2.75Å; S503-V506 VanDerWaalsContact O-N 3.13Å; S503-A507 WeakPolarHBondContact O-CB 3.24Å; S503-A507 PolarHBondContact O-N 3.4Å |
| 504 | G | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.6 | -46.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N313 Y316 Y435 V506 V508 | N313-G504 PolarHBondContact OD1-N 2.98Å; Y316-G504 VanDerWaalsContact CD2-CA 3.44Å; Y316-G504 VanDerWaalsContact CD2-N 3.31Å; Y435-G504 VanDerWaalsContact CE1-C 3.45Å; G504-V506 PolarHBondContact O-N 2.8Å; G504-V508 WeakPolarHBondContact O-CB 3.21Å; G504-V508 WeakPolarHBondContact O-CG2 3.46Å; G504-V508 PolarHBondContact O-N 2.88Å |
| 505 | R | 97.8 | Very high | 94 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.4 | -49 | 179 | 179 | -158.1 | 61.9 | 178.1 | -20.5 | 113 | Y450 G451 N452 N488 S503 H509 S517 T519 | Y450-R505 WeakPolarHBondContact O-CD 3.28Å; G451-R505 PolarHBondContact O-NH1 3.3Å; N452-R505 PolarHBondContact ND2-O 3.39Å; N452-R505 PolarHBondContact OD1-NE 3.31Å; N488-R505 PolarHBondContact OD1-NH1 3.23Å; N488-R505 PolarHBondContact OD1-NH2 3.46Å; S503-R505 VanDerWaalsContact C-N 3.27Å; S503-R505 PolarHBondContact O-N 3.03Å; R505-H509 WeakPolarHBondContact O-CB 3.42Å; R505-H509 PolarHBondContact O-N 3.11Å; R505-S517 WeakPolarHBondContact CA-OG 3.28Å; R505-S517 VanDerWaalsContact CG-O 3.23Å; R505-S517 WeakPolarHBondContact CG-O 3.35Å; R505-S517 PolarHBondContact O-OG 3.22Å; R505-T519 WeakPolarHBondContact CB-OG1 3.49Å |
| 506 | V | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78.2 | -47.8 | -174.6 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | M489 E501 S503 G504 V508 H509 K510 | M489-V506 HydrophobicContact CB-CG2 4.07Å; M489-V506 HydrophobicContact CE-CG1 3.82Å; M489-V506 HydrophobicContact CE-CG2 4.4Å; M489-V506 HydrophobicContact CG-CG2 4.2Å; E501-V506 HydrophobicContact CG-CG1 4.23Å; S503-V506 PolarHBondContact O-N 2.75Å; S503-V506 VanDerWaalsContact O-N 3.13Å; G504-V506 PolarHBondContact O-N 2.8Å; V506-V508 PolarHBondContact O-N 3.25Å; V506-H509 PolarHBondContact O-N 3.4Å; V506-K510 HydrophobicContact CG1-CD 4.4Å; V506-K510 HydrophobicContact CG1-CG 4.49Å; V506-K510 WeakPolarHBondContact O-CG 3.48Å; V506-K510 PolarHBondContact O-N 2.92Å |
| 507 | A | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y316 L317 S503 K510 A511 | Y316-A507 VanDerWaalsContact CB-CB 3.46Å; L317-A507 HydrophobicContact CD2-CB 4.01Å; L317-A507 HydrophobicContact CG-CB 4.25Å; S503-A507 WeakPolarHBondContact O-CB 3.24Å; S503-A507 PolarHBondContact O-N 3.4Å; A507-K510 PolarHBondContact O-N 3.44Å; A507-A511 VanDerWaalsContact O-CB 3.29Å; A507-A511 WeakPolarHBondContact O-CB 3.35Å; A507-A511 PolarHBondContact O-N 3.48Å |
| 508 | V | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | Y316 L334 Y435 G504 V506 K510 A511 I512 V514 | Y316-V508 HydrophobicContact CD1-CG2 4.34Å; L334-V508 HydrophobicContact CD1-CB 4.44Å; L334-V508 HydrophobicContact CD1-CG1 3.96Å; L334-V508 HydrophobicContact CD1-CG2 3.54Å; L334-V508 HydrophobicContact CD2-CG1 4.35Å; Y435-V508 HydrophobicContact CD1-CB 4.19Å; Y435-V508 HydrophobicContact CD1-CG1 4.25Å; Y435-V508 HydrophobicContact CD1-CG2 4.29Å; Y435-V508 HydrophobicContact CE1-CB 4.44Å; Y435-V508 HydrophobicContact CE1-CG2 4.14Å; Y435-V508 HydrophobicContact CE2-CG2 4.47Å; Y435-V508 HydrophobicContact CG-CB 4.5Å; Y435-V508 HydrophobicContact CG-CG1 4.12Å; G504-V508 WeakPolarHBondContact O-CB 3.21Å; G504-V508 WeakPolarHBondContact O-CG2 3.46Å; G504-V508 PolarHBondContact O-N 2.88Å; V506-V508 PolarHBondContact O-N 3.25Å; V508-K510 VanDerWaalsContact C-N 3.32Å; V508-K510 PolarHBondContact O-N 3.24Å; V508-A511 PolarHBondContact O-N 2.98Å; V508-A511 VanDerWaalsContact O-N 3.11Å; V508-I512 HydrophobicContact CG1-CD1 4.03Å; V508-I512 HydrophobicContact CG1-CG1 4.06Å; V508-I512 VanDerWaalsContact O-CG1 3.3Å; V508-I512 WeakPolarHBondContact O-CG1 3.39Å; V508-I512 PolarHBondContact O-N 2.91Å; V508-V514 HydrophobicContact CG1-CG1 3.92Å |
| 509 | H | 97.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 20.1 Ų | 20.1 | 16% | 0.157 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -41.6 | 174.7 | 173.3 | 72.5 | 0 | 0 | 0 | 112.2 | N452 L454 R505 V506 A511 G513 V514 | N452-H509 WeakPolarHBondContact ND2-CB 3.4Å; N452-H509 VanDerWaalsContact ND2-CG 3.26Å; L454-H509 WeakPolarHBondContact CD2-CE1 3.47Å; L454-H509 WeakPolarHBondContact CD2-NE2 3.38Å; R505-H509 WeakPolarHBondContact O-CB 3.42Å; R505-H509 PolarHBondContact O-N 3.11Å; V506-H509 PolarHBondContact O-N 3.4Å; H509-A511 VanDerWaalsContact C-N 3.31Å; H509-A511 PolarHBondContact O-N 2.89Å; H509-G513 WeakPolarHBondContact O-CA 3.45Å; H509-G513 PolarHBondContact O-N 3.18Å; H509-V514 PolarHBondContact ND1-O 3.11Å |
| 510 | K | 96.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 19.2 Ų | 19.2 | 42% | 0.417 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.4 | -74.3 | -169.4 | 172.9 | -153.6 | 0 | 113 | Y490 E501 V506 A507 V508 | Y490-K510 WeakPolarHBondContact OH-CE 3.34Å; Y490-K510 PolarHBondContact OH-NZ 3.36Å; E501-K510 HydrophobicContact CG-CD 4.47Å; E501-K510 IonicContact OE1-NZ 3.26Å; E501-K510 PolarHBondContact OE1-NZ 2.9Å; V506-K510 HydrophobicContact CG1-CD 4.4Å; V506-K510 HydrophobicContact CG1-CG 4.49Å; V506-K510 WeakPolarHBondContact O-CG 3.48Å; V506-K510 PolarHBondContact O-N 2.92Å; A507-K510 PolarHBondContact O-N 3.44Å; V508-K510 VanDerWaalsContact C-N 3.32Å; V508-K510 PolarHBondContact O-N 3.24Å |
| 511 | A | 96.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 17.7 Ų | 17.7 | 40% | 0.397 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -77.5 | -38.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L335 A507 V508 H509 | L335-A511 HydrophobicContact CD2-CB 4.26Å; A507-A511 VanDerWaalsContact O-CB 3.29Å; A507-A511 WeakPolarHBondContact O-CB 3.35Å; A507-A511 PolarHBondContact O-N 3.48Å; V508-A511 PolarHBondContact O-N 2.98Å; V508-A511 VanDerWaalsContact O-N 3.11Å; H509-A511 VanDerWaalsContact C-N 3.31Å; H509-A511 PolarHBondContact O-N 2.89Å |
| 512 | I | 96 | Very high | 97.6 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.041 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -126.5 | 0.2 | -173.9 | 64.5 | 167.5 | 0 | 0 | 0 | 114.3 | L335 H338 V432 V508 V514 | L335-I512 HydrophobicContact CD2-CG2 3.61Å; H338-I512 HydrophobicContact CB-CB 4.19Å; H338-I512 HydrophobicContact CB-CD1 4.19Å; H338-I512 HydrophobicContact CB-CG2 3.85Å; H338-I512 PolarHBondContact CE1-O 2.95Å; H338-I512 VanDerWaalsContact CE1-O 3.24Å; V432-I512 HydrophobicContact CB-CD1 3.93Å; V432-I512 HydrophobicContact CG1-CD1 4.27Å; V432-I512 HydrophobicContact CG2-CD1 4.02Å; V508-I512 HydrophobicContact CG1-CD1 4.03Å; V508-I512 HydrophobicContact CG1-CG1 4.06Å; V508-I512 VanDerWaalsContact O-CG1 3.3Å; V508-I512 WeakPolarHBondContact O-CG1 3.39Å; V508-I512 PolarHBondContact O-N 2.91Å; I512-V514 HydrophobicContact CD1-CB 3.95Å; I512-V514 HydrophobicContact CD1-CG1 3.83Å; I512-V514 HydrophobicContact CG1-CB 3.99Å; I512-V514 HydrophobicContact CG1-CG1 3.79Å; I512-V514 PolarHBondContact O-N 3.27Å; I512-V514 VanDerWaalsContact O-N 3.11Å |
| 513 | G | 95.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 14.9 Ų | 14.9 | 23% | 0.227 | 9% | 0.085 | C | C | . | . | trans | 67 | 7.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P427 H509 L515 | P427-G513 WeakPolarHBondContact CB-O 3.41Å; H509-G513 WeakPolarHBondContact O-CA 3.45Å; H509-G513 PolarHBondContact O-N 3.18Å; G513-L515 PolarHBondContact O-N 3.3Å | ||
| 514 | V | 95.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.024 | 8% | 0.084 | C | C | . | . | trans | -56.2 | 124.5 | -177.5 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | V432 V508 H509 I512 | V432-V514 HydrophobicContact CG1-CG2 4.31Å; V508-V514 HydrophobicContact CG1-CG1 3.92Å; H509-V514 PolarHBondContact ND1-O 3.11Å; I512-V514 HydrophobicContact CD1-CB 3.95Å; I512-V514 HydrophobicContact CD1-CG1 3.83Å; I512-V514 HydrophobicContact CG1-CB 3.99Å; I512-V514 HydrophobicContact CG1-CG1 3.79Å; I512-V514 PolarHBondContact O-N 3.27Å; I512-V514 VanDerWaalsContact O-N 3.11Å | ||
| 515 | L | 95.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 14.8 Ų | 14.8 | 19% | 0.188 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -71 | -43.1 | -173.7 | -177.4 | 151.1 | 0 | 0 | 0 | 111 | L454 Q459 E462 N463 G513 S517 | L454-L515 HydrophobicContact CD1-CD1 4.26Å; L454-L515 HydrophobicContact CD1-CG 3.96Å; Q459-L515 HydrophobicContact CB-CD1 3.83Å; Q459-L515 HydrophobicContact CG-CD1 3.99Å; E462-L515 HydrophobicContact CB-CD1 4.1Å; E462-L515 HydrophobicContact CB-CD2 3.95Å; N463-L515 HydrophobicContact CB-CD2 3.82Å; N463-L515 HydrophobicContact CB-CG 4.22Å; N463-L515 PolarHBondContact OD1-O 3.15Å; G513-L515 PolarHBondContact O-N 3.3Å; L515-S517 VanDerWaalsContact C-N 3.3Å; L515-S517 PolarHBondContact O-N 2.84Å; L515-S517 VanDerWaalsContact O-N 3.08Å |
| 516 | H | 98.1 | Very high | 97.4 | Very high | 26 Ų | 26 | 15 Ų | 15 | 12% | 0.12 | 9% | 0.085 | C | C | . | . | trans | -87.1 | 64.8 | 179.8 | -62.8 | -48.9 | 0 | 0 | 0 | 112.2 | A433 Y434 Y435 E462 Y518 M574 | A433-H516 WeakPolarHBondContact O-CB 3.39Å; Y434-H516 HydrophobicContact CD1-CB 3.46Å; Y434-H516 VanDerWaalsContact CD1-CB 3.46Å; Y434-H516 AromaticContact CD1-CG 3.84Å; Y434-H516 HydrophobicContact CE1-CB 3.78Å; Y434-H516 AromaticContact CE1-CD2 3.58Å; Y434-H516 AromaticContact CE1-CG 3.6Å; Y434-H516 HydrophobicContact CG-CB 4.2Å; Y434-H516 AromaticContact CZ-CD2 3.92Å; Y435-H516 PolarHBondContact N-O 3.43Å; E462-H516 PolarHBondContact O-CE1 3.11Å; H516-Y518 VanDerWaalsContact C-CE2 3.49Å; H516-Y518 VanDerWaalsContact CA-CE2 3.41Å; H516-Y518 HydrophobicContact CB-CD2 4.48Å; H516-Y518 HydrophobicContact CB-CE2 3.58Å; H516-Y518 AromaticContact ND1-CZ 3.87Å; H516-Y518 PolarHBondContact ND1-OH 3Å; H516-M574 WeakPolarHBondContact CE1-CE 3.39Å | ||
| 517 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.9 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | Y435 R505 L515 | Y435-S517 WeakPolarHBondContact CD1-OG 3.47Å; Y435-S517 CarbonylContact O-C 3.53Å; Y435-S517 WeakPolarHBondContact O-CA 3.19Å; R505-S517 WeakPolarHBondContact CA-OG 3.28Å; R505-S517 VanDerWaalsContact CG-O 3.23Å; R505-S517 WeakPolarHBondContact CG-O 3.35Å; R505-S517 PolarHBondContact O-OG 3.22Å; L515-S517 VanDerWaalsContact C-N 3.3Å; L515-S517 PolarHBondContact O-N 2.84Å; L515-S517 VanDerWaalsContact O-N 3.08Å |
| 518 | Y | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.5 | -170.1 | -54.5 | -69.9 | 0 | 0 | 0 | 114.1 | Y435 V436 D437 M449 Y450 N463 Y466 P467 F484 H516 | Y435-Y518 PolarHBondContact O-N 3.21Å; V436-Y518 HydrophobicContact CG2-CD2 4.17Å; D437-Y518 PolarHBondContact N-O 3.33Å; M449-Y518 HydrophobicContact SD-CD1 4.19Å; M449-Y518 HydrophobicContact SD-CD2 4.33Å; M449-Y518 HydrophobicContact SD-CG 3.9Å; Y450-Y518 WeakPolarHBondContact O-CA 3.3Å; N463-Y518 WeakPolarHBondContact O-CE1 3.29Å; N463-Y518 PolarHBondContact O-OH 3.2Å; N463-Y518 VanDerWaalsContact OD1-CE1 3.25Å; N463-Y518 WeakPolarHBondContact OD1-CE1 3.35Å; N463-Y518 PolarHBondContact OD1-OH 2.87Å; Y466-Y518 HydrophobicContact CD1-CD2 4.04Å; Y466-Y518 AromaticContact CD1-CE2 3.46Å; Y466-Y518 HydrophobicContact CD1-CE2 3.46Å; Y466-Y518 VanDerWaalsContact CD1-CE2 3.46Å; Y466-Y518 HydrophobicContact CE1-CD2 4.29Å; Y466-Y518 HydrophobicContact CE1-CE2 4.09Å; Y466-Y518 HydrophobicContact CG-CE2 4.37Å; P467-Y518 HydrophobicContact CG-CD1 4.38Å; P467-Y518 HydrophobicContact CG-CE1 3.96Å; F484-Y518 HydrophobicContact CE1-CE1 4.05Å; H516-Y518 VanDerWaalsContact C-CE2 3.49Å; H516-Y518 VanDerWaalsContact CA-CE2 3.41Å; H516-Y518 HydrophobicContact CB-CD2 4.48Å; H516-Y518 HydrophobicContact CB-CE2 3.58Å; H516-Y518 AromaticContact ND1-CZ 3.87Å; H516-Y518 PolarHBondContact ND1-OH 3Å |
| 519 | T | 98.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.025 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.5 | 157 | -59.9 | 0 | 0 | 0 | 0 | 107.9 | D437 H439 M449 Y450 R505 E521 | D437-T519 CarbonylContact O-C 3.52Å; D437-T519 WeakPolarHBondContact O-CA 3.37Å; H439-T519 HydrophobicContact CB-CG2 4.19Å; H439-T519 VanDerWaalsContact CD2-CG2 3.46Å; H439-T519 WeakPolarHBondContact CD2-CG2 3.37Å; M449-T519 CarbonylContact C-O 3.59Å; M449-T519 VanDerWaalsContact CA-O 3.27Å; M449-T519 WeakPolarHBondContact CA-O 3.27Å; Y450-T519 PolarHBondContact N-O 2.97Å; Y450-T519 PolarHBondContact O-N 3.39Å; R505-T519 WeakPolarHBondContact CB-OG1 3.49Å; T519-E521 HydrophobicContact CG2-CG 4.16Å |
| 520 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.1 | 173.8 | -169.8 | 165.7 | 0 | 0 | 0 | 109.1 | V262 V436 D437 L438 H439 M449 F477 C522 V563 V567 | V262-L520 HydrophobicContact CG1-CD1 4.31Å; V436-L520 HydrophobicContact CG1-CB 4.19Å; D437-L520 PolarHBondContact O-N 3.01Å; L438-L520 HydrophobicContact CD2-CB 3.71Å; L438-L520 HydrophobicContact CD2-CD1 3.89Å; L438-L520 HydrophobicContact CD2-CD2 4.4Å; L438-L520 HydrophobicContact CD2-CG 4.21Å; H439-L520 PolarHBondContact N-O 2.86Å; M449-L520 HydrophobicContact CE-CB 4.11Å; M449-L520 HydrophobicContact CE-CD1 3.67Å; M449-L520 HydrophobicContact CE-CG 4.1Å; M449-L520 HydrophobicContact CG-CB 4.09Å; M449-L520 HydrophobicContact CG-CG 4.2Å; F477-L520 HydrophobicContact CE2-CG 4.49Å; L520-C522 WeakPolarHBondContact CD2-SG 3.06Å; L520-V563 HydrophobicContact CD1-CG1 4.17Å; L520-V563 HydrophobicContact CD2-CG1 4.47Å; L520-V567 HydrophobicContact CD1-CG2 3.58Å |
| 521 | E | 98.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 21.2 Ų | 21.2 | 10% | 0.098 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.7 | -175.2 | -67 | -77.1 | -175.1 | 0 | 0 | 110.3 | H439 H441 C447 F448 Y450 T519 | H439-E521 WeakPolarHBondContact CB-OE2 3.46Å; H441-E521 HydrophobicContact CB-CB 4.06Å; H441-E521 IonicContact CD2-OE2 2.85Å; C447-E521 CarbonylContact C-O 3.55Å; C447-E521 VanDerWaalsContact CA-O 3.26Å; C447-E521 WeakPolarHBondContact CA-O 3.24Å; F448-E521 HydrophobicContact CD2-CB 3.94Å; F448-E521 HydrophobicContact CD2-CG 4.43Å; F448-E521 HydrophobicContact CE1-CB 4.13Å; F448-E521 HydrophobicContact CE2-CB 3.39Å; F448-E521 HydrophobicContact CE2-CG 3.76Å; F448-E521 HydrophobicContact CG-CB 4.49Å; F448-E521 HydrophobicContact CZ-CB 3.48Å; F448-E521 VanDerWaalsContact CZ-CB 3.48Å; F448-E521 HydrophobicContact CZ-CG 4.18Å; F448-E521 PolarHBondContact N-O 3.33Å; F448-E521 PolarHBondContact O-N 2.67Å; Y450-E521 HydrophobicContact CD2-CG 3.81Å; Y450-E521 HydrophobicContact CE2-CG 3.64Å; Y450-E521 WeakPolarHBondContact CE2-OE1 3.37Å; T519-E521 HydrophobicContact CG2-CG 4.16Å |
| 522 | C | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.3 | 179.5 | -77 | 0 | 0 | 0 | 0 | 112.5 | P258 V262 H439 G440 H441 C447 L520 F560 | P258-C522 HydrophobicContact CB-CB 3.67Å; V262-C522 VanDerWaalsContact CG2-SG 3.52Å; H439-C522 PolarHBondContact O-N 2.94Å; G440-C522 CarbonylContact C-O 3.49Å; G440-C522 WeakPolarHBondContact CA-O 3.39Å; H441-C522 PolarHBondContact N-O 3.05Å; C447-C522 PolarHBondContact SG-SG 3.4Å; L520-C522 WeakPolarHBondContact CD2-SG 3.06Å; C522-F560 HydrophobicContact CB-CD1 4.04Å; C522-F560 HydrophobicContact CB-CE1 3.88Å |
| 523 | N | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -63.4 | 141.1 | 171.1 | -172.2 | -99.5 | 0 | 0 | 0 | 112.2 | H441 A442 K444 G446 N525 T526 Y555 F560 | H441-N523 WeakPolarHBondContact O-CA 3.37Å; H441-N523 PolarHBondContact O-ND2 2.94Å; A442-N523 PolarHBondContact O-ND2 2.98Å; K444-N523 WeakPolarHBondContact O-CB 3.16Å; K444-N523 PolarHBondContact O-ND2 3.35Å; G446-N523 WeakPolarHBondContact O-CB 3.49Å; G446-N523 PolarHBondContact O-N 3.25Å; N523-N525 PolarHBondContact O-N 3.04Å; N523-N525 WeakPolarHBondContact OD1-CA 3.23Å; N523-N525 WeakPolarHBondContact OD1-CB 3.04Å; N523-N525 PolarHBondContact OD1-N 3.42Å; N523-T526 PolarHBondContact OD1-N 2.9Å; N523-T526 PolarHBondContact OD1-O 2.66Å; N523-Y555 HydrophobicContact CB-CE2 4.44Å; N523-Y555 WeakPolarHBondContact O-CD2 3.4Å; N523-F560 WeakPolarHBondContact O-CE1 3.44Å; N523-F560 WeakPolarHBondContact O-CZ 3.36Å | ||
| 524 | Y | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -69.8 | -12.9 | 180 | -65.3 | -91.4 | 0 | 0 | 0 | 114.8 | L101 R121 F155 C156 G255 E256 P258 A442 | L101-Y524 HydrophobicContact CD2-CD2 4.44Å; R121-Y524 PolarHBondContact NH2-O 3.08Å; F155-Y524 HydrophobicContact CE1-CD1 4.03Å; F155-Y524 AromaticContact CE1-CE1 3.91Å; F155-Y524 HydrophobicContact CE1-CE1 3.91Å; F155-Y524 HydrophobicContact CE1-CG 4.38Å; C156-Y524 HydrophobicContact CB-CD1 3.8Å; C156-Y524 HydrophobicContact CB-CE1 4.48Å; G255-Y524 PolarHBondContact O-OH 3.21Å; E256-Y524 WeakPolarHBondContact CA-OH 3.47Å; E256-Y524 WeakPolarHBondContact CG-OH 3.47Å; P258-Y524 VanDerWaalsContact CD-CE1 3.47Å; P258-Y524 HydrophobicContact CG-CD1 3.57Å; P258-Y524 HydrophobicContact CG-CE1 3.79Å; P258-Y524 HydrophobicContact CG-CG 4.19Å; A442-Y524 HydrophobicContact CB-CD2 4.38Å; A442-Y524 HydrophobicContact CB-CE2 4.23Å |
| 525 | N | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -129.2 | -55.3 | -162.4 | 176 | 47.3 | 0 | 0 | 0 | 113.8 | L101 Q104 G105 M106 N523 K554 Y555 | L101-N525 HydrophobicContact CD1-CB 4.03Å; Q104-N525 PolarHBondContact O-ND2 3.2Å; G105-N525 PolarHBondContact O-OD1 3.44Å; M106-N525 HydrophobicContact CB-CB 4.11Å; M106-N525 PolarHBondContact N-ND2 2.74Å; M106-N525 HydrophobicContact SD-CB 3.81Å; N523-N525 PolarHBondContact O-N 3.04Å; N523-N525 WeakPolarHBondContact OD1-CA 3.23Å; N523-N525 WeakPolarHBondContact OD1-CB 3.04Å; N523-N525 PolarHBondContact OD1-N 3.42Å; N525-K554 PolarHBondContact ND2-NZ 3.05Å; N525-K554 CarbonylContact O-C 3.58Å; N525-K554 VanDerWaalsContact O-CA 3.32Å; N525-K554 WeakPolarHBondContact O-CA 3.14Å; N525-K554 WeakPolarHBondContact OD1-CD 3.29Å; N525-K554 PolarHBondContact OD1-NZ 3.41Å; N525-Y555 PolarHBondContact O-N 3.43Å |
| 526 | T | 95.4 | Very high | 95 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -165.3 | 162.5 | -173.7 | -169.3 | 0 | 0 | 0 | 0 | 114 | R445 G446 N523 P553 | R445-T526 WeakPolarHBondContact CA-O 3.35Å; R445-T526 WeakPolarHBondContact CB-O 3.4Å; R445-T526 HydrophobicContact CG-CG2 4.37Å; G446-T526 PolarHBondContact N-O 3.35Å; N523-T526 PolarHBondContact OD1-N 2.9Å; N523-T526 PolarHBondContact OD1-O 2.66Å; T526-P553 WeakPolarHBondContact CB-O 3.45Å; T526-P553 PolarHBondContact OG1-O 2.89Å |
| 527 | G | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -83.9 | 164.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R445 P552 Y555 | R445-G527 PolarHBondContact NE-O 3.34Å; R445-G527 VanDerWaalsContact NE-O 3.07Å; R445-G527 PolarHBondContact NH2-O 3.11Å; G527-P552 WeakPolarHBondContact O-CB 3.48Å; G527-Y555 WeakPolarHBondContact CA-OH 3.3Å; G527-Y555 VanDerWaalsContact N-CZ 3.25Å; G527-Y555 PolarHBondContact N-OH 3.21Å | ||
| 528 | K | 91.8 | Very high | 94.1 | Very high | 107 Ų | 107 | 33.4 Ų | 33.4 | 47% | 0.465 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -80.8 | -42.7 | 169.9 | -66.4 | -173.9 | -177.8 | 174 | 0 | 112.1 | R445 P552 | R445-K528 HydrophobicContact CB-CG 3.55Å; R445-K528 HydrophobicContact CG-CG 4.49Å; K528-P552 WeakPolarHBondContact O-CG 3.25Å |
| 529 | T | 90.1 | Very high | 93.6 | Very high | 82 Ų | 82 | 33.9 Ų | 33.9 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | trans | -138.7 | 169.6 | -175.3 | 51.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 530 | M | 91.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 41 Ų | 41 | 21% | 0.212 | 22% | 0.224 | C | C | . | . | trans | -118.9 | 144.1 | 165.9 | -74.1 | -179.8 | 57.7 | 0 | 0 | 109.6 | A475 P548 S549 P552 P553 | A475-M530 HydrophobicContact CB-CE 3.79Å; A475-M530 CarbonylContact O-C 3.55Å; A475-M530 WeakPolarHBondContact O-CA 3.28Å; M530-P548 HydrophobicContact CE-CB 3.64Å; M530-S549 PolarHBondContact SD-OG 2.58Å; M530-S549 VanDerWaalsContact SD-OG 3.36Å; M530-P552 HydrophobicContact CG-CB 4.39Å; M530-P553 WeakPolarHBondContact SD-CD 3.43Å; M530-P553 HydrophobicContact SD-CG 4.46Å | ||
| 531 | N | 91.7 | Very high | 92 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -79 | 141.4 | 171.8 | -56.9 | -40.7 | 0 | 0 | 0 | 109.6 | A471 S474 A475 F477 M533 | A471-N531 PolarHBondContact O-ND2 3.03Å; S474-N531 PolarHBondContact O-ND2 3.08Å; A475-N531 PolarHBondContact O-N 2.97Å; F477-N531 PolarHBondContact O-ND2 2.84Å; N531-M533 PolarHBondContact O-N 3.1Å |
| 532 | S | 89.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 51.7 Ų | 51.7 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 119.2 | 160.6 | -171.1 | 0 | 0 | 0 | 0 | 107.6 | P534 | S532-P534 WeakPolarHBondContact O-CD 3.49Š|
| 533 | M | 90.4 | Very high | 90.6 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 20% | 0.202 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 119.4 | 178.7 | -69 | -159.6 | -50.7 | 0 | 0 | 109.1 | S474 A475 N531 P545 | S474-M533 VanDerWaalsContact C-SD 3.55Å; S474-M533 VanDerWaalsContact CA-SD 3.56Å; A475-M533 HydrophobicContact CB-CE 4.39Å; A475-M533 HydrophobicContact CB-CG 4.11Å; A475-M533 HydrophobicContact CB-SD 4.09Å; A475-M533 PolarHBondContact N-SD 3.36Å; N531-M533 PolarHBondContact O-N 3.1Å; M533-P545 HydrophobicContact CB-CG 3.93Å; M533-P545 HydrophobicContact CE-CB 3.32Å; M533-P545 HydrophobicContact CE-CG 3.51Å |
| 534 | P | 92.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 149.5 | 173.6 | -21.3 | 32.2 | 0 | 0 | 0 | 111 | I472 S532 R582 L585 | I472-P534 HydrophobicContact CG2-CG 4.33Å; S532-P534 WeakPolarHBondContact O-CD 3.49Å; P534-R582 HydrophobicContact CB-CB 4.31Å; P534-R582 WeakPolarHBondContact O-CD 3.17Å; P534-R582 PolarHBondContact O-NH1 3.02Å; P534-L585 HydrophobicContact CB-CB 4.27Å |
| 535 | P | 92.3 | Very high | 88.8 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 150.7 | 169.9 | -23 | 33.6 | 0 | 0 | 0 | 111.7 | T544 L585 | P535-T544 HydrophobicContact CB-CG2 4.02Å; P535-L585 HydrophobicContact CB-CD1 4.04Å |
| 536 | A | 92.9 | Very high | 87.8 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 140.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | D539 A543 T544 W580 R582 | A536-D539 HydrophobicContact CB-CB 4.17Å; A536-A543 HydrophobicContact CB-CB 3.93Å; A536-T544 PolarHBondContact N-OG1 2.88Å; A536-T544 VanDerWaalsContact N-OG1 3.08Å; A536-W580 HydrophobicContact CB-CB 4.31Å; A536-R582 HydrophobicContact CB-CG 4.39Å |
| 537 | C | 90.9 | Very high | 86.7 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 10% | 0.095 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -81.6 | 154.7 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | D539 W580 P581 L585 | C537-D539 PolarHBondContact O-N 3.12Å; C537-W580 VanDerWaalsContact O-CA 3.28Å; C537-W580 WeakPolarHBondContact O-CA 3.47Å; C537-P581 HydrophobicContact CB-CG 4.18Å; C537-P581 PolarHBondContact N-O 2.77Å; C537-P581 PolarHBondContact SG-O 3.15Å; C537-L585 VanDerWaalsContact SG-CG 3.57Å |
| 538 | H | 87.6 | Confident | 85.5 | Confident | 155 Ų | 155 | 70.5 Ų | 70.5 | 72% | 0.718 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 56.3 | 19.9 | 169.6 | -46.1 | -64 | 0 | 0 | 0 | 115.6 | W580 | H538-W580 VanDerWaalsContact O-CD1 3.23Å; H538-W580 PolarHBondContact O-NE1 3.47Å |
| 539 | D | 88 | Confident | 84.6 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.053 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -103.2 | -5.8 | -173.9 | 77.6 | -29 | 0 | 0 | 0 | 113.4 | A536 C537 G541 R542 A543 T544 W580 | A536-D539 HydrophobicContact CB-CB 4.17Å; C537-D539 PolarHBondContact O-N 3.12Å; D539-G541 VanDerWaalsContact CG-N 3.31Å; D539-G541 PolarHBondContact O-N 2.93Å; D539-G541 PolarHBondContact OD1-N 3.16Å; D539-R542 VanDerWaalsContact O-CB 3.24Å; D539-R542 WeakPolarHBondContact O-CB 3.37Å; D539-R542 WeakPolarHBondContact O-CG 3.21Å; D539-R542 PolarHBondContact O-N 3.26Å; D539-R542 PolarHBondContact OD2-N 3.15Å; D539-A543 HydrophobicContact CB-CB 4.11Å; D539-A543 WeakPolarHBondContact OD2-CA 3.07Å; D539-A543 WeakPolarHBondContact OD2-CB 3.47Å; D539-A543 PolarHBondContact OD2-N 3.38Å; D539-T544 PolarHBondContact OD2-N 3.03Å; D539-T544 PolarHBondContact OD2-OG1 3.23Å; D539-W580 HydrophobicContact CB-CB 4.16Å; D539-W580 HydrophobicContact CB-CD2 3.76Å; D539-W580 HydrophobicContact CB-CE3 4.24Å; D539-W580 HydrophobicContact CB-CG 3.71Å |
| 540 | N | 84.2 | Confident | 84 | Confident | 155 Ų | 155 | 69.6 Ų | 69.6 | 83% | 0.829 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37 | -170 | -63.5 | -31.4 | 0 | 0 | 0 | 112.7 | R542 | N540-R542 VanDerWaalsContact C-N 3.32Å; N540-R542 PolarHBondContact O-N 3.44Å |
| 541 | G | 79.1 | Confident | 83.7 | Confident | 49 Ų | 49 | 75 Ų | 75 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 4.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D539 | D539-G541 VanDerWaalsContact CG-N 3.31Å; D539-G541 PolarHBondContact O-N 2.93Å; D539-G541 PolarHBondContact OD1-N 3.16Å |
| 542 | R | 83.8 | Confident | 83.6 | Confident | 195 Ų | 195 | 75.1 Ų | 75.1 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -71.1 | -30.2 | -177.2 | -67.7 | 176.4 | 179 | -164.9 | 0.9 | 114.2 | D539 N540 W580 | D539-R542 VanDerWaalsContact O-CB 3.24Å; D539-R542 WeakPolarHBondContact O-CB 3.37Å; D539-R542 WeakPolarHBondContact O-CG 3.21Å; D539-R542 PolarHBondContact O-N 3.26Å; D539-R542 PolarHBondContact OD2-N 3.15Å; N540-R542 VanDerWaalsContact C-N 3.32Å; N540-R542 PolarHBondContact O-N 3.44Å; R542-W580 HydrophobicContact CB-CH2 4.41Å |
| 543 | A | 84.4 | Confident | 83.7 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -112.7 | -15.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A536 D539 W580 R582 | A536-A543 HydrophobicContact CB-CB 3.93Å; D539-A543 HydrophobicContact CB-CB 4.11Å; D539-A543 WeakPolarHBondContact OD2-CA 3.07Å; D539-A543 WeakPolarHBondContact OD2-CB 3.47Å; D539-A543 PolarHBondContact OD2-N 3.38Å; A543-W580 HydrophobicContact CB-CD2 4.49Å; A543-W580 HydrophobicContact CB-CE3 3.67Å; A543-W580 HydrophobicContact CB-CZ3 4.16Å; A543-R582 PolarHBondContact O-NH2 2.98Å |
| 544 | T | 81.5 | Confident | 84 | Confident | 53 Ų | 53 | 74 Ų | 74 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 123.5 | 173.6 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | P535 A536 D539 | P535-T544 HydrophobicContact CB-CG2 4.02Å; A536-T544 PolarHBondContact N-OG1 2.88Å; A536-T544 VanDerWaalsContact N-OG1 3.08Å; D539-T544 PolarHBondContact OD2-N 3.03Å; D539-T544 PolarHBondContact OD2-OG1 3.23Å |
| 545 | P | 76.2 | Confident | 84.2 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 22% | 0.221 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 156.1 | -173.2 | 32.5 | -39.4 | 0 | 0 | 0 | 111.2 | M533 | M533-P545 HydrophobicContact CB-CG 3.93Å; M533-P545 HydrophobicContact CE-CB 3.32Å; M533-P545 HydrophobicContact CE-CG 3.51Å |
| 546 | P | 74.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 72 Ų | 72 | 69% | 0.688 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 159.3 | 163.8 | 29.5 | -34.4 | 0 | 0 | 0 | 110.4 | ||
| 547 | P | 72.3 | Confident | 84.6 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 79% | 0.792 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 132.4 | 175 | -24.7 | 33.2 | 0 | 0 | 0 | 111 | ||
| 548 | P | 71.1 | Confident | 84.9 | Confident | 77 Ų | 77 | 77 Ų | 77 | 50% | 0.5 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 152.2 | -179.5 | 26.2 | -32.5 | 0 | 0 | 0 | 110.9 | M530 | M530-P548 HydrophobicContact CE-CB 3.64Š|
| 549 | S | 72.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 148.9 | 169.2 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | M530 F551 | M530-S549 PolarHBondContact SD-OG 2.58Å; M530-S549 VanDerWaalsContact SD-OG 3.36Å; S549-F551 PolarHBondContact O-N 3.46Å; S549-F551 PolarHBondContact OG-O 3.26Å |
| 550 | S | 76.4 | Confident | 85.9 | Confident | 108 Ų | 108 | 70 Ų | 70 | 76% | 0.755 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -64 | -20.1 | 178.6 | 47 | 0 | 0 | 0 | 0 | 113.8 | ||
| 551 | F | 85.4 | Confident | 86.6 | Confident | 155 Ų | 155 | 65.2 Ų | 65.2 | 68% | 0.68 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -131.6 | 151.3 | 179.6 | -58.4 | -77.8 | 0 | 0 | 0 | 111.7 | S549 P553 | S549-F551 PolarHBondContact O-N 3.46Å; S549-F551 PolarHBondContact OG-O 3.26Å; F551-P553 WeakPolarHBondContact O-CD 3.18Å |
| 552 | P | 89.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 122.9 | 174.2 | -21.8 | 31.6 | 0 | 0 | 0 | 111.3 | G527 K528 M530 | G527-P552 WeakPolarHBondContact O-CB 3.48Å; K528-P552 WeakPolarHBondContact O-CG 3.25Å; M530-P552 HydrophobicContact CG-CB 4.39Å |
| 553 | P | 93.2 | Very high | 88.1 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 167 | -178.2 | 30.1 | -37 | 0 | 0 | 0 | 111.5 | T526 M530 F551 I559 | T526-P553 WeakPolarHBondContact CB-O 3.45Å; T526-P553 PolarHBondContact OG1-O 2.89Å; M530-P553 WeakPolarHBondContact SD-CD 3.43Å; M530-P553 HydrophobicContact SD-CG 4.46Å; F551-P553 WeakPolarHBondContact O-CD 3.18Å; P553-I559 HydrophobicContact CB-CD1 4.1Å; P553-I559 HydrophobicContact CG-CD1 3.62Å |
| 554 | K | 94.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 130 | 158.9 | -65 | -63.7 | -176.8 | 178.1 | 0 | 108.2 | Q104 G105 N525 | Q104-K554 PolarHBondContact O-NZ 3.02Å; G105-K554 VanDerWaalsContact C-NZ 3.31Å; G105-K554 PolarHBondContact O-NZ 3.25Å; N525-K554 PolarHBondContact ND2-NZ 3.05Å; N525-K554 CarbonylContact O-C 3.58Å; N525-K554 VanDerWaalsContact O-CA 3.32Å; N525-K554 WeakPolarHBondContact O-CA 3.14Å; N525-K554 WeakPolarHBondContact OD1-CD 3.29Å; N525-K554 PolarHBondContact OD1-NZ 3.41Å |
| 555 | Y | 96.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141 | -179.4 | -68.2 | -11.1 | 0 | 0 | 0 | 110.9 | R121 G446 H476 N523 N525 G527 I559 F560 | R121-Y555 PolarHBondContact NH2-O 2.67Å; G446-Y555 WeakPolarHBondContact CA-OH 3.28Å; H476-Y555 HydrophobicContact CB-CE1 4.26Å; H476-Y555 PolarHBondContact O-OH 3.16Å; N523-Y555 HydrophobicContact CB-CE2 4.44Å; N523-Y555 WeakPolarHBondContact O-CD2 3.4Å; N525-Y555 PolarHBondContact O-N 3.43Å; G527-Y555 WeakPolarHBondContact CA-OH 3.3Å; G527-Y555 VanDerWaalsContact N-CZ 3.25Å; G527-Y555 PolarHBondContact N-OH 3.21Å; Y555-I559 HydrophobicContact CD1-CB 4.44Å; Y555-I559 HydrophobicContact CD1-CD1 4.15Å; Y555-I559 HydrophobicContact CD1-CG2 3.55Å; Y555-I559 HydrophobicContact CE1-CG2 3.83Å; Y555-I559 HydrophobicContact CG-CG2 3.97Å; Y555-F560 AromaticContact CD2-CE1 3.62Å; Y555-F560 HydrophobicContact CD2-CE1 3.62Å; Y555-F560 AromaticContact CD2-CZ 3.96Å; Y555-F560 HydrophobicContact CD2-CZ 3.96Å; Y555-F560 HydrophobicContact CE2-CE1 4.43Å; Y555-F560 HydrophobicContact CG-CE1 4.21Å; Y555-F560 HydrophobicContact CG-CZ 4.28Å |
| 556 | T | 97 | Very high | 90.7 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | trans | -125.8 | 165.9 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 108.5 | E558 I559 F560 | T556-E558 WeakPolarHBondContact CB-OE2 3.36Å; T556-E558 PolarHBondContact O-N 3.33Å; T556-E558 PolarHBondContact OG1-N 3.18Å; T556-E558 PolarHBondContact OG1-OE2 2.73Å; T556-I559 PolarHBondContact O-N 3.48Å; T556-I559 PolarHBondContact OG1-N 3.43Å; T556-F560 WeakPolarHBondContact O-CD2 3.28Å; T556-F560 PolarHBondContact O-N 3.37Å | ||
| 557 | P | 97.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -47.3 | -43.6 | 171.6 | -31.7 | 40.3 | 0 | 0 | 0 | 112.7 | Y157 F261 I559 F560 E561 | Y157-P557 HydrophobicContact CD1-CG 4.06Å; Y157-P557 HydrophobicContact CD2-CG 4.25Å; Y157-P557 HydrophobicContact CE1-CG 4.25Å; Y157-P557 HydrophobicContact CE2-CG 4.43Å; Y157-P557 HydrophobicContact CG-CG 4.06Å; F261-P557 HydrophobicContact CD1-CB 3.64Å; F261-P557 HydrophobicContact CD1-CG 4.15Å; F261-P557 HydrophobicContact CE1-CB 3.95Å; F261-P557 HydrophobicContact CE1-CG 4Å; F261-P557 HydrophobicContact CG-CB 4.05Å; F261-P557 HydrophobicContact CZ-CG 4.25Å; P557-I559 VanDerWaalsContact C-N 3.3Å; P557-I559 PolarHBondContact O-N 2.95Å; P557-F560 WeakPolarHBondContact O-CB 3.41Å; P557-F560 PolarHBondContact O-N 3.1Å; P557-F560 VanDerWaalsContact O-N 3.1Å; P557-E561 WeakPolarHBondContact O-CG 3.05Å; P557-E561 PolarHBondContact O-N 3.06Å |
| 558 | E | 97.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 45 Ų | 45 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.2 | -33.5 | -178.2 | -56.6 | 76 | -166.5 | 0 | 0 | 112.6 | T556 E561 Q562 | T556-E558 WeakPolarHBondContact CB-OE2 3.36Å; T556-E558 PolarHBondContact O-N 3.33Å; T556-E558 PolarHBondContact OG1-N 3.18Å; T556-E558 PolarHBondContact OG1-OE2 2.73Å; E558-E561 PolarHBondContact O-N 3.2Å; E558-Q562 WeakPolarHBondContact O-CG 3.35Å; E558-Q562 PolarHBondContact O-N 3.15Å |
| 559 | I | 96.7 | Very high | 94.4 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.8 | -41.2 | 174.8 | -73.8 | 165.5 | 0 | 0 | 0 | 110.8 | H476 P553 Y555 T556 P557 E561 Q562 V563 | H476-I559 HydrophobicContact CB-CG2 4.06Å; H476-I559 VanDerWaalsContact CD2-CG2 3.48Å; H476-I559 WeakPolarHBondContact CD2-CG2 3.36Å; P553-I559 HydrophobicContact CB-CD1 4.1Å; P553-I559 HydrophobicContact CG-CD1 3.62Å; Y555-I559 HydrophobicContact CD1-CB 4.44Å; Y555-I559 HydrophobicContact CD1-CD1 4.15Å; Y555-I559 HydrophobicContact CD1-CG2 3.55Å; Y555-I559 HydrophobicContact CE1-CG2 3.83Å; Y555-I559 HydrophobicContact CG-CG2 3.97Å; T556-I559 PolarHBondContact O-N 3.48Å; T556-I559 PolarHBondContact OG1-N 3.43Å; P557-I559 VanDerWaalsContact C-N 3.3Å; P557-I559 PolarHBondContact O-N 2.95Å; I559-E561 VanDerWaalsContact C-N 3.32Å; I559-Q562 WeakPolarHBondContact O-CB 3.39Å; I559-Q562 PolarHBondContact O-N 2.92Å; I559-V563 PolarHBondContact O-N 2.79Å |
| 560 | F | 98.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 174 | -62.9 | -54.8 | 0 | 0 | 0 | 111 | P258 F261 V262 C522 N523 Y555 T556 P557 Q562 V563 G564 | P258-F560 HydrophobicContact CB-CD1 4.15Å; P258-F560 HydrophobicContact CB-CD2 4.48Å; P258-F560 HydrophobicContact CB-CE1 3.85Å; P258-F560 HydrophobicContact CB-CE2 4.21Å; P258-F560 HydrophobicContact CB-CG 4.46Å; P258-F560 HydrophobicContact CB-CZ 3.88Å; P258-F560 HydrophobicContact CG-CE1 4.46Å; P258-F560 HydrophobicContact CG-CE2 4.39Å; P258-F560 HydrophobicContact CG-CZ 4.06Å; F261-F560 HydrophobicContact CB-CB 3.54Å; F261-F560 HydrophobicContact CB-CD2 4.08Å; F261-F560 HydrophobicContact CB-CG 4.21Å; F261-F560 HydrophobicContact CD2-CD2 4.14Å; F261-F560 HydrophobicContact CG-CD2 4.43Å; V262-F560 WeakPolarHBondContact CA-O 3.39Å; V262-F560 HydrophobicContact CG2-CB 3.9Å; V262-F560 HydrophobicContact CG2-CD1 4.43Å; C522-F560 HydrophobicContact CB-CD1 4.04Å; C522-F560 HydrophobicContact CB-CE1 3.88Å; N523-F560 WeakPolarHBondContact O-CE1 3.44Å; N523-F560 WeakPolarHBondContact O-CZ 3.36Å; Y555-F560 AromaticContact CD2-CE1 3.62Å; Y555-F560 HydrophobicContact CD2-CE1 3.62Å; Y555-F560 AromaticContact CD2-CZ 3.96Å; Y555-F560 HydrophobicContact CD2-CZ 3.96Å; Y555-F560 HydrophobicContact CE2-CE1 4.43Å; Y555-F560 HydrophobicContact CG-CE1 4.21Å; Y555-F560 HydrophobicContact CG-CZ 4.28Å; T556-F560 WeakPolarHBondContact O-CD2 3.28Å; T556-F560 PolarHBondContact O-N 3.37Å; P557-F560 WeakPolarHBondContact O-CB 3.41Å; P557-F560 PolarHBondContact O-N 3.1Å; P557-F560 VanDerWaalsContact O-N 3.1Å; F560-Q562 VanDerWaalsContact C-N 3.32Å; F560-Q562 PolarHBondContact O-N 3.16Å; F560-V563 WeakPolarHBondContact O-CB 3.42Å; F560-V563 PolarHBondContact O-N 2.83Å; F560-V563 VanDerWaalsContact O-N 3.1Å; F560-G564 PolarHBondContact O-N 2.75Å |
| 561 | E | 98.7 | Very high | 96.7 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 26% | 0.262 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 176 | -71.2 | 172.3 | -174.9 | 0 | 0 | 112.5 | F261 G265 P557 E558 I559 V563 G564 R565 | F261-E561 WeakPolarHBondContact O-CG 3.39Å; G265-E561 WeakPolarHBondContact CA-O 3.13Å; P557-E561 WeakPolarHBondContact O-CG 3.05Å; P557-E561 PolarHBondContact O-N 3.06Å; E558-E561 PolarHBondContact O-N 3.2Å; I559-E561 VanDerWaalsContact C-N 3.32Å; E561-V563 VanDerWaalsContact C-N 3.3Å; E561-V563 PolarHBondContact O-N 2.85Å; E561-G564 PolarHBondContact O-N 3.22Å; E561-R565 PolarHBondContact O-N 3.14Å |
| 562 | Q | 97.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 26 Ų | 26 | 34% | 0.341 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 172 | -77.6 | 167.7 | 19.1 | 0 | 0 | 111.9 | H476 E558 I559 F560 R565 A566 | H476-Q562 PolarHBondContact CD2-OE1 3.02Å; E558-Q562 WeakPolarHBondContact O-CG 3.35Å; E558-Q562 PolarHBondContact O-N 3.15Å; I559-Q562 WeakPolarHBondContact O-CB 3.39Å; I559-Q562 PolarHBondContact O-N 2.92Å; F560-Q562 VanDerWaalsContact C-N 3.32Å; F560-Q562 PolarHBondContact O-N 3.16Å; Q562-R565 PolarHBondContact O-N 3.06Å; Q562-A566 PolarHBondContact O-N 2.88Å |
| 563 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | C447 H476 F477 L520 I559 F560 E561 R565 A566 V567 | C447-V563 HydrophobicContact CB-CG1 4.2Å; C447-V563 HydrophobicContact CB-CG2 4.16Å; H476-V563 HydrophobicContact CB-CG2 4.14Å; F477-V563 HydrophobicContact CD2-CG1 4.3Å; L520-V563 HydrophobicContact CD1-CG1 4.17Å; L520-V563 HydrophobicContact CD2-CG1 4.47Å; I559-V563 PolarHBondContact O-N 2.79Å; F560-V563 WeakPolarHBondContact O-CB 3.42Å; F560-V563 PolarHBondContact O-N 2.83Å; F560-V563 VanDerWaalsContact O-N 3.1Å; E561-V563 VanDerWaalsContact C-N 3.3Å; E561-V563 PolarHBondContact O-N 2.85Å; V563-R565 PolarHBondContact O-N 2.79Å; V563-A566 WeakPolarHBondContact O-CB 3.34Å; V563-A566 PolarHBondContact O-N 3.02Å; V563-A566 VanDerWaalsContact O-N 3.1Å; V563-V567 WeakPolarHBondContact O-CG2 3.23Å; V563-V567 PolarHBondContact O-N 3.32Å |
| 564 | G | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V262 F266 F560 E561 A566 V567 A568 | V262-G564 VanDerWaalsContact O-CA 3.3Å; V262-G564 WeakPolarHBondContact O-CA 3.37Å; F266-G564 WeakPolarHBondContact CD2-O 3.33Å; F560-G564 PolarHBondContact O-N 2.75Å; E561-G564 PolarHBondContact O-N 3.22Å; G564-A566 VanDerWaalsContact C-N 3.34Å; G564-A566 PolarHBondContact O-N 2.94Å; G564-V567 WeakPolarHBondContact O-CB 3.43Å; G564-V567 PolarHBondContact O-N 2.95Å; G564-A568 PolarHBondContact O-N 3.17Å |
| 565 | R | 98.6 | Very high | 98 | Very high | 72 Ų | 72 | 21.9 Ų | 21.9 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 172.9 | 169.7 | 171.5 | 53.9 | -120.6 | 0 | 112.2 | F269 E561 Q562 V563 V567 A568 V569 | F269-R565 HydrophobicContact CB-CB 4.18Å; F269-R565 HydrophobicContact CB-CG 4.2Å; F269-R565 HydrophobicContact CD1-CG 4.25Å; F269-R565 HydrophobicContact CD2-CB 4.46Å; F269-R565 HydrophobicContact CD2-CG 3.6Å; F269-R565 HydrophobicContact CE2-CG 3.97Å; F269-R565 HydrophobicContact CG-CB 4.25Å; F269-R565 HydrophobicContact CG-CG 3.74Å; F269-R565 HydrophobicContact CZ-CG 4.42Å; E561-R565 PolarHBondContact O-N 3.14Å; Q562-R565 PolarHBondContact O-N 3.06Å; V563-R565 PolarHBondContact O-N 2.79Å; R565-V567 VanDerWaalsContact C-N 3.32Å; R565-V567 PolarHBondContact O-N 3Å; R565-A568 PolarHBondContact O-N 3.23Å; R565-V569 HydrophobicContact CG-CG2 4.18Å; R565-V569 WeakPolarHBondContact O-CG2 3.41Å; R565-V569 PolarHBondContact O-N 2.75Å |
| 566 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I470 N473 Q562 V563 G564 A568 V569 S570 | I470-A566 HydrophobicContact CG2-CB 4.12Å; N473-A566 HydrophobicContact CB-CB 3.94Å; Q562-A566 PolarHBondContact O-N 2.88Å; V563-A566 WeakPolarHBondContact O-CB 3.34Å; V563-A566 PolarHBondContact O-N 3.02Å; V563-A566 VanDerWaalsContact O-N 3.1Å; G564-A566 VanDerWaalsContact C-N 3.34Å; G564-A566 PolarHBondContact O-N 2.94Å; A566-A568 VanDerWaalsContact C-N 3.33Å; A566-A568 PolarHBondContact O-N 3.07Å; A566-V569 PolarHBondContact O-N 3.07Å; A566-S570 WeakPolarHBondContact O-CB 3.35Å; A566-S570 PolarHBondContact O-N 3.11Å; A566-S570 PolarHBondContact O-OG 2.63Å |
| 567 | V | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | F246 F266 M449 Y466 I470 L520 V563 G564 R565 | F246-V567 HydrophobicContact CZ-CG1 4.07Å; F266-V567 HydrophobicContact CD2-CB 4.15Å; F266-V567 HydrophobicContact CD2-CG1 3.97Å; F266-V567 HydrophobicContact CE2-CB 4.49Å; F266-V567 HydrophobicContact CE2-CG1 3.95Å; M449-V567 HydrophobicContact CE-CG2 4.22Å; Y466-V567 WeakPolarHBondContact OH-CG1 3.49Å; Y466-V567 PolarHBondContact OH-O 2.61Å; I470-V567 HydrophobicContact CD1-CG2 4.03Å; I470-V567 HydrophobicContact CG2-CG2 4.42Å; L520-V567 HydrophobicContact CD1-CG2 3.58Å; V563-V567 WeakPolarHBondContact O-CG2 3.23Å; V563-V567 PolarHBondContact O-N 3.32Å; G564-V567 WeakPolarHBondContact O-CB 3.43Å; G564-V567 PolarHBondContact O-N 2.95Å; R565-V567 VanDerWaalsContact C-N 3.32Å; R565-V567 PolarHBondContact O-N 3Å |
| 568 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -51 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F266 F269 I270 L281 G564 R565 A566 S570 A571 | F266-A568 HydrophobicContact CD2-CB 3.69Å; F266-A568 HydrophobicContact CE2-CB 3.57Å; F266-A568 HydrophobicContact CG-CB 4.38Å; F266-A568 HydrophobicContact CZ-CB 4.17Å; F269-A568 HydrophobicContact CD1-CB 3.69Å; F269-A568 HydrophobicContact CE1-CB 4.12Å; I270-A568 HydrophobicContact CG2-CB 4.07Å; L281-A568 HydrophobicContact CD1-CB 3.93Å; L281-A568 WeakPolarHBondContact CD2-O 3.3Å; G564-A568 PolarHBondContact O-N 3.17Å; R565-A568 PolarHBondContact O-N 3.23Å; A566-A568 VanDerWaalsContact C-N 3.33Å; A566-A568 PolarHBondContact O-N 3.07Å; A568-S570 VanDerWaalsContact C-N 3.31Å; A568-S570 PolarHBondContact O-N 2.86Å; A568-A571 WeakPolarHBondContact O-CB 3.47Å; A568-A571 PolarHBondContact O-N 3.35Å; A568-A571 VanDerWaalsContact O-N 3.16Å |
| 569 | V | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.5 | -39.7 | -177.1 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | F269 N473 R565 A566 A571 L572 D573 N578 | F269-V569 HydrophobicContact CD1-CG2 4.4Å; F269-V569 HydrophobicContact CE1-CG2 3.5Å; F269-V569 HydrophobicContact CE2-CG2 4.25Å; F269-V569 HydrophobicContact CZ-CG2 3.4Å; F269-V569 VanDerWaalsContact CZ-CG2 3.4Å; N473-V569 WeakPolarHBondContact OD1-CG1 3.4Å; R565-V569 HydrophobicContact CG-CG2 4.18Å; R565-V569 WeakPolarHBondContact O-CG2 3.41Å; R565-V569 PolarHBondContact O-N 2.75Å; A566-V569 PolarHBondContact O-N 3.07Å; V569-A571 PolarHBondContact O-N 2.95Å; V569-A571 VanDerWaalsContact O-N 3.17Å; V569-L572 VanDerWaalsContact O-CB 3.31Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.32Å; V569-D573 PolarHBondContact O-N 3.44Å; V569-N578 WeakPolarHBondContact CG1-ND2 3.37Å |
| 570 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -17.7 | -178.9 | -64.4 | 0 | 0 | 0 | 0 | 114.1 | L469 I470 N473 A566 A568 L572 D573 M574 | L469-S570 PolarHBondContact O-OG 3.34Å; L469-S570 VanDerWaalsContact O-OG 3.13Å; I470-S570 WeakPolarHBondContact CA-OG 3.37Å; I470-S570 PolarHBondContact N-OG 3.14Å; I470-S570 VanDerWaalsContact N-OG 3.14Å; N473-S570 PolarHBondContact ND2-OG 2.75Å; A566-S570 WeakPolarHBondContact O-CB 3.35Å; A566-S570 PolarHBondContact O-N 3.11Å; A566-S570 PolarHBondContact O-OG 2.63Å; A568-S570 VanDerWaalsContact C-N 3.31Å; A568-S570 PolarHBondContact O-N 2.86Å; S570-L572 VanDerWaalsContact C-N 3.31Å; S570-D573 PolarHBondContact O-N 3.24Å; S570-M574 WeakPolarHBondContact O-CB 3.39Å; S570-M574 PolarHBondContact O-N 2.91Å |
| 571 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.1 | -31.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F246 L281 F285 Y434 Y466 A568 V569 A575 | F246-A571 HydrophobicContact CE2-CB 4.17Å; L281-A571 HydrophobicContact CD2-CB 4.16Å; F285-A571 HydrophobicContact CE2-CB 4.12Å; F285-A571 HydrophobicContact CZ-CB 4.48Å; Y434-A571 HydrophobicContact CE2-CB 4.22Å; Y466-A571 HydrophobicContact CE2-CB 4.3Å; A568-A571 WeakPolarHBondContact O-CB 3.47Å; A568-A571 PolarHBondContact O-N 3.35Å; A568-A571 VanDerWaalsContact O-N 3.16Å; V569-A571 PolarHBondContact O-N 2.95Å; V569-A571 VanDerWaalsContact O-N 3.17Å; A571-A575 PolarHBondContact O-N 3.31Å |
| 572 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.5 | -39.7 | 173.1 | -61.4 | 175.2 | 0 | 0 | 0 | 112 | R277 T280 L281 M284 V569 S570 M574 A575 E576 C577 N578 | R277-L572 HydrophobicContact CB-CD1 3.54Å; R277-L572 HydrophobicContact CG-CD1 4.02Å; T280-L572 HydrophobicContact CG2-CD2 3.61Å; L281-L572 HydrophobicContact CD1-CD1 4.29Å; L281-L572 HydrophobicContact CD1-CG 4.37Å; L281-L572 HydrophobicContact CD2-CD2 3.88Å; L281-L572 HydrophobicContact CD2-CG 3.88Å; L281-L572 HydrophobicContact CG-CD1 4Å; L281-L572 HydrophobicContact CG-CD2 3.72Å; L281-L572 HydrophobicContact CG-CG 3.74Å; M284-L572 HydrophobicContact SD-CD2 3.65Å; V569-L572 VanDerWaalsContact O-CB 3.31Å; V569-L572 WeakPolarHBondContact O-CB 3.43Å; V569-L572 PolarHBondContact O-N 3.32Å; S570-L572 VanDerWaalsContact C-N 3.31Å; L572-M574 VanDerWaalsContact C-N 3.31Å; L572-A575 CarbonylContact O-C 3.57Å; L572-A575 PolarHBondContact O-N 3.39Å; L572-E576 PolarHBondContact O-N 2.85Å; L572-C577 PolarHBondContact O-N 2.88Å; L572-N578 HydrophobicContact CB-CB 3.59Å; L572-N578 HydrophobicContact CD1-CB 4.46Å; L572-N578 PolarHBondContact O-N 3.29Å |
| 573 | D | 97.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 176.4 | -67.7 | -38.7 | 0 | 0 | 0 | 110.9 | L469 N473 V569 S570 A575 E576 N578 | L469-D573 HydrophobicContact CD1-CB 4Å; L469-D573 HydrophobicContact CD2-CB 3.85Å; L469-D573 HydrophobicContact CG-CB 4.37Å; N473-D573 PolarHBondContact ND2-OD2 3.37Å; V569-D573 PolarHBondContact O-N 3.44Å; S570-D573 PolarHBondContact O-N 3.24Å; D573-A575 PolarHBondContact O-N 3.08Å; D573-E576 PolarHBondContact O-N 3.11Å; D573-E576 VanDerWaalsContact O-N 3.1Å; D573-N578 VanDerWaalsContact OD1-CB 3.24Å; D573-N578 WeakPolarHBondContact OD1-CB 3.34Å; D573-N578 PolarHBondContact OD1-ND2 2.7Å |
| 574 | M | 97.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 10% | 0.099 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -35.1 | 175.8 | -175.6 | 64.7 | 97.2 | 0 | 0 | 112.1 | Y434 L465 L469 H516 S570 L572 | Y434-M574 WeakPolarHBondContact OH-CG 3.45Å; L465-M574 HydrophobicContact CB-CE 3.94Å; L465-M574 HydrophobicContact CD2-CE 4.15Å; L465-M574 HydrophobicContact CD2-SD 3.7Å; L465-M574 HydrophobicContact CG-CE 4.08Å; L465-M574 HydrophobicContact CG-SD 4.11Å; L469-M574 HydrophobicContact CD1-CB 4.02Å; L469-M574 HydrophobicContact CD1-SD 4.32Å; H516-M574 WeakPolarHBondContact CE1-CE 3.39Å; S570-M574 WeakPolarHBondContact O-CB 3.39Å; S570-M574 PolarHBondContact O-N 2.91Å; L572-M574 VanDerWaalsContact C-N 3.31Å |
| 575 | A | 96.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 39% | 0.388 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 8.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M284 A571 L572 D573 C577 | M284-A575 HydrophobicContact CE-CB 3.28Å; A571-A575 PolarHBondContact O-N 3.31Å; L572-A575 CarbonylContact O-C 3.57Å; L572-A575 PolarHBondContact O-N 3.39Å; D573-A575 PolarHBondContact O-N 3.08Å; A575-C577 PolarHBondContact O-N 3.42Å; A575-C577 VanDerWaalsContact O-N 3.08Å |
| 576 | E | 96.4 | Very high | 96.9 | Very high | 132 Ų | 132 | 27.2 Ų | 27.2 | 62% | 0.617 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.4 | 178.9 | -58.3 | -172.5 | 90 | 0 | 0 | 114.5 | L572 D573 L591 | L572-E576 PolarHBondContact O-N 2.85Å; D573-E576 PolarHBondContact O-N 3.11Å; D573-E576 VanDerWaalsContact O-N 3.1Å; E576-L591 HydrophobicContact CG-CB 4.29Å; E576-L591 HydrophobicContact CG-CD2 3.54Å |
| 577 | C | 96.8 | Very high | 96.7 | Very high | 49 Ų | 49 | 33.5 Ų | 33.5 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | trans | -128.6 | 15.5 | -176.5 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | M284 L572 A575 P579 | M284-C577 PolarHBondContact SD-SG 3.36Å; L572-C577 PolarHBondContact O-N 2.88Å; A575-C577 PolarHBondContact O-N 3.42Å; A575-C577 VanDerWaalsContact O-N 3.08Å; C577-P579 WeakPolarHBondContact O-CD 3.28Å | ||
| 578 | N | 97.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | trans | -62.9 | 119.6 | 175.7 | -173.4 | -9.1 | 0 | 0 | 0 | 110.4 | R277 V569 L572 D573 W580 P581 | R277-N578 WeakPolarHBondContact CG-OD1 3.5Å; V569-N578 WeakPolarHBondContact CG1-ND2 3.37Å; L572-N578 HydrophobicContact CB-CB 3.59Å; L572-N578 HydrophobicContact CD1-CB 4.46Å; L572-N578 PolarHBondContact O-N 3.29Å; D573-N578 VanDerWaalsContact OD1-CB 3.24Å; D573-N578 WeakPolarHBondContact OD1-CB 3.34Å; D573-N578 PolarHBondContact OD1-ND2 2.7Å; N578-W580 PolarHBondContact ND2-O 2.86Å; N578-W580 PolarHBondContact O-N 2.9Å; N578-W580 PolarHBondContact OD1-N 2.87Å; N578-W580 PolarHBondContact OD1-O 3.28Å; N578-P581 HydrophobicContact CB-CB 4.19Å; N578-P581 VanDerWaalsContact O-CD 3.28Å; N578-P581 WeakPolarHBondContact O-CD 3.31Å | ||
| 579 | P | 96.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 24% | 0.24 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -59.9 | -31.8 | 175.5 | -27.8 | 36.6 | 0 | 0 | 0 | 113.7 | P276 R277 T280 C577 P581 | P276-P579 HydrophobicContact CB-CB 4.05Å; P276-P579 HydrophobicContact CB-CG 4.15Å; P276-P579 HydrophobicContact CG-CB 4.22Å; R277-P579 HydrophobicContact CG-CB 4.41Å; R277-P579 HydrophobicContact CG-CG 4.33Å; T280-P579 WeakPolarHBondContact OG1-CG 3.28Å; C577-P579 WeakPolarHBondContact O-CD 3.28Å; P579-P581 WeakPolarHBondContact O-CD 3Å |
| 580 | W | 96.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -126.3 | 68.6 | -179.5 | -56 | -30.2 | 0 | 0 | 0 | 111 | P276 R277 A536 C537 H538 D539 R542 A543 N578 | P276-W580 VanDerWaalsContact CD-CH2 3.45Å; P276-W580 VanDerWaalsContact CD-CZ2 3.49Å; P276-W580 HydrophobicContact CG-CD2 4.11Å; P276-W580 VanDerWaalsContact CG-CE2 3.46Å; P276-W580 HydrophobicContact CG-CH2 3.78Å; P276-W580 HydrophobicContact CG-CZ2 3.29Å; P276-W580 HydrophobicContact CG-CZ3 4.36Å; R277-W580 HydrophobicContact CG-CE3 4.35Å; R277-W580 VanDerWaalsContact CZ-CE3 3.43Å; A536-W580 HydrophobicContact CB-CB 4.31Å; C537-W580 VanDerWaalsContact O-CA 3.28Å; C537-W580 WeakPolarHBondContact O-CA 3.47Å; H538-W580 VanDerWaalsContact O-CD1 3.23Å; H538-W580 PolarHBondContact O-NE1 3.47Å; D539-W580 HydrophobicContact CB-CB 4.16Å; D539-W580 HydrophobicContact CB-CD2 3.76Å; D539-W580 HydrophobicContact CB-CE3 4.24Å; D539-W580 HydrophobicContact CB-CG 3.71Å; R542-W580 HydrophobicContact CB-CH2 4.41Å; A543-W580 HydrophobicContact CB-CD2 4.49Å; A543-W580 HydrophobicContact CB-CE3 3.67Å; A543-W580 HydrophobicContact CB-CZ3 4.16Å; N578-W580 PolarHBondContact ND2-O 2.86Å; N578-W580 PolarHBondContact O-N 2.9Å; N578-W580 PolarHBondContact OD1-N 2.87Å; N578-W580 PolarHBondContact OD1-O 3.28Å |
| 581 | P | 95.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | trans | -72.1 | 142.7 | -175.1 | 31 | -31.8 | 0 | 0 | 0 | 110.7 | C537 N578 P579 V584 | C537-P581 HydrophobicContact CB-CG 4.18Å; C537-P581 PolarHBondContact N-O 2.77Å; C537-P581 PolarHBondContact SG-O 3.15Å; N578-P581 HydrophobicContact CB-CB 4.19Å; N578-P581 VanDerWaalsContact O-CD 3.28Å; N578-P581 WeakPolarHBondContact O-CD 3.31Å; P579-P581 WeakPolarHBondContact O-CD 3Å; P581-V584 HydrophobicContact CB-CG2 4.22Å; P581-V584 HydrophobicContact CG-CG2 3.94Å | ||
| 582 | R | 95.5 | Very high | 96.2 | Very high | 16 Ų | 16 | 44 Ų | 44 | 6% | 0.06 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -95.9 | -23.9 | 168.1 | -65.7 | -173.8 | -171.7 | -69.5 | -2.3 | 112.8 | I472 P534 A536 A543 V584 L585 S586 | I472-R582 HydrophobicContact CG2-CB 3.8Å; I472-R582 WeakPolarHBondContact O-CD 3.41Å; P534-R582 HydrophobicContact CB-CB 4.31Å; P534-R582 WeakPolarHBondContact O-CD 3.17Å; P534-R582 PolarHBondContact O-NH1 3.02Å; A536-R582 HydrophobicContact CB-CG 4.39Å; A543-R582 PolarHBondContact O-NH2 2.98Å; R582-V584 PolarHBondContact O-N 3.45Å; R582-L585 PolarHBondContact O-N 3.26Å; R582-L585 VanDerWaalsContact O-N 3.15Å; R582-S586 PolarHBondContact O-N 3.03Å |
| 583 | L | 95.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.8 | -37.7 | -175.9 | -178.8 | 60.7 | 0 | 0 | 0 | 112.1 | L469 I472 L585 S586 H588 T589 L591 L594 | L469-L583 HydrophobicContact CD2-CD1 4.38Å; L469-L583 HydrophobicContact CD2-CD2 4.13Å; I472-L583 HydrophobicContact CD1-CD1 3.74Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 PolarHBondContact O-N 3.39Å; L583-S586 WeakPolarHBondContact O-CB 3.29Å; L583-S586 PolarHBondContact O-N 3.32Å; L583-S586 VanDerWaalsContact O-N 3.1Å; L583-S586 PolarHBondContact O-OG 2.93Å; L583-H588 HydrophobicContact CD1-CB 4.07Å; L583-T589 CarbonylContact O-C 3.53Å; L583-T589 WeakPolarHBondContact O-CA 3.4Å; L583-T589 PolarHBondContact O-N 3.03Å; L583-L591 HydrophobicContact CD2-CB 4.06Å; L583-L591 HydrophobicContact CD2-CD1 4.01Å; L583-L594 HydrophobicContact CD1-CB 4.37Å; L583-L594 HydrophobicContact CD1-CD2 3.97Å |
| 584 | V | 94.3 | Very high | 96.2 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 47% | 0.473 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -59.3 | -37.4 | -179.4 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | P581 R582 T589 | P581-V584 HydrophobicContact CB-CG2 4.22Å; P581-V584 HydrophobicContact CG-CG2 3.94Å; R582-V584 PolarHBondContact O-N 3.45Å; V584-T589 VanDerWaalsContact CA-O 3.31Å; V584-T589 WeakPolarHBondContact CA-O 3.38Å |
| 585 | L | 94.1 | Very high | 96.2 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -100.7 | 8 | 179.3 | -61.6 | 176.7 | 0 | 0 | 0 | 112.9 | P534 P535 C537 R582 L583 | P534-L585 HydrophobicContact CB-CB 4.27Å; P535-L585 HydrophobicContact CB-CD1 4.04Å; C537-L585 VanDerWaalsContact SG-CG 3.57Å; R582-L585 PolarHBondContact O-N 3.26Å; R582-L585 VanDerWaalsContact O-N 3.15Å; L583-L585 VanDerWaalsContact C-N 3.29Å; L583-L585 PolarHBondContact O-N 3.39Å |
| 586 | S | 94.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -82 | 171.4 | 173.8 | 79.1 | 0 | 0 | 0 | 0 | 111.6 | R582 L583 H588 T589 | R582-S586 PolarHBondContact O-N 3.03Å; L583-S586 WeakPolarHBondContact O-CB 3.29Å; L583-S586 PolarHBondContact O-N 3.32Å; L583-S586 VanDerWaalsContact O-N 3.1Å; L583-S586 PolarHBondContact O-OG 2.93Å; S586-H588 PolarHBondContact O-N 3.16Å; S586-H588 PolarHBondContact OG-N 3.42Å; S586-H588 VanDerWaalsContact OG-N 3.16Å; S586-T589 PolarHBondContact O-N 3.33Å; S586-T589 VanDerWaalsContact O-N 3.15Å |
| 587 | E | 94.3 | Very high | 96.4 | Very high | 134 Ų | 134 | 48.8 Ų | 48.8 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -13.8 | 173.6 | 72.9 | -81.9 | -173.9 | 0 | 0 | 114 | R468 | R468-E587 IonicContact CZ-OE1 3.19Å; R468-E587 IonicContact NH2-OE1 3.88Å; R468-E587 PolarHBondContact NH2-OE1 3.4Å |
| 588 | H | 96.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -22.3 | 178.6 | -56.5 | -76.2 | 0 | 0 | 0 | 113 | R468 L583 S586 C590 N593 L594 W597 | R468-H588 PolarHBondContact NH2-NE2 3.2Å; L583-H588 HydrophobicContact CD1-CB 4.07Å; S586-H588 PolarHBondContact O-N 3.16Å; S586-H588 PolarHBondContact OG-N 3.42Å; S586-H588 VanDerWaalsContact OG-N 3.16Å; H588-C590 PolarHBondContact O-N 2.74Å; H588-N593 WeakPolarHBondContact O-CB 3.39Å; H588-N593 PolarHBondContact O-ND2 3.26Å; H588-L594 HydrophobicContact CB-CB 4.02Å; H588-L594 HydrophobicContact CB-CD1 4.13Å; H588-L594 VanDerWaalsContact CG-CD1 3.41Å; H588-W597 AromaticContact CE1-CD1 3.74Å; H588-W597 AromaticContact CE1-CD2 3.87Å; H588-W597 AromaticContact CE1-CG 3.56Å; H588-W597 AromaticContact ND1-CG 3.97Å |
| 589 | T | 95.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | trans | 60.2 | -31.6 | -179.4 | 67.9 | 0 | 0 | 0 | 0 | 117.6 | L583 V584 S586 N593 | L583-T589 CarbonylContact O-C 3.53Å; L583-T589 WeakPolarHBondContact O-CA 3.4Å; L583-T589 PolarHBondContact O-N 3.03Å; V584-T589 VanDerWaalsContact CA-O 3.31Å; V584-T589 WeakPolarHBondContact CA-O 3.38Å; S586-T589 PolarHBondContact O-N 3.33Å; S586-T589 VanDerWaalsContact O-N 3.15Å; T589-N593 PolarHBondContact OG1-ND2 3.08Å; T589-N593 VanDerWaalsContact OG1-ND2 3.12Å | ||
| 590 | C | 95.9 | Very high | 96.5 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 30% | 0.297 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -155.8 | 170.1 | 178.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | H588 T592 N593 L594 | H588-C590 PolarHBondContact O-N 2.74Å; C590-T592 PolarHBondContact O-N 3.04Å; C590-N593 PolarHBondContact O-N 2.82Å; C590-N593 VanDerWaalsContact SG-CG 3.58Å; C590-L594 PolarHBondContact O-N 3.49Å; C590-L594 VanDerWaalsContact O-N 3.14Å |
| 591 | L | 96.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.3 | -34.7 | -176 | -162.4 | 61.9 | 0 | 0 | 0 | 112.4 | L465 L469 E576 L583 L594 R595 | L465-L591 HydrophobicContact CD1-CD1 4Å; L465-L591 HydrophobicContact CD2-CD1 3.87Å; L465-L591 HydrophobicContact CD2-CG 4.2Å; L465-L591 HydrophobicContact CG-CD1 4.1Å; L469-L591 HydrophobicContact CD1-CD1 4.09Å; L469-L591 HydrophobicContact CD2-CD1 4.17Å; E576-L591 HydrophobicContact CG-CB 4.29Å; E576-L591 HydrophobicContact CG-CD2 3.54Å; L583-L591 HydrophobicContact CD2-CB 4.06Å; L583-L591 HydrophobicContact CD2-CD1 4.01Å; L591-L594 HydrophobicContact CD1-CD2 4.32Å; L591-L594 PolarHBondContact O-N 3.33Å; L591-R595 VanDerWaalsContact CG-NH1 3.34Å; L591-R595 WeakPolarHBondContact O-CG 3.39Å; L591-R595 PolarHBondContact O-N 3.4Å |
| 592 | T | 97.8 | Very high | 96.3 | Very high | 94 Ų | 94 | 53 Ų | 53 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | C590 L594 R595 A596 | C590-T592 PolarHBondContact O-N 3.04Å; T592-L594 VanDerWaalsContact C-N 3.35Å; T592-R595 WeakPolarHBondContact O-CB 3.41Å; T592-R595 PolarHBondContact O-N 3.33Å; T592-A596 PolarHBondContact O-N 2.85Å |
| 593 | N | 98 | Very high | 96.3 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 177.8 | -74.1 | -11.2 | 0 | 0 | 0 | 111.5 | H588 T589 C590 A596 W597 | H588-N593 WeakPolarHBondContact O-CB 3.39Å; H588-N593 PolarHBondContact O-ND2 3.26Å; T589-N593 PolarHBondContact OG1-ND2 3.08Å; T589-N593 VanDerWaalsContact OG1-ND2 3.12Å; C590-N593 PolarHBondContact O-N 2.82Å; C590-N593 VanDerWaalsContact SG-CG 3.58Å; N593-A596 PolarHBondContact O-N 3.01Å; N593-W597 PolarHBondContact O-N 2.84Å |
| 594 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 174.3 | -173.5 | 61.1 | 0 | 0 | 0 | 111.8 | L465 R468 L469 I472 L583 H588 C590 L591 T592 W597 I598 | L465-L594 HydrophobicContact CD1-CB 4.13Å; L465-L594 HydrophobicContact CD1-CD2 3.53Å; L465-L594 HydrophobicContact CD1-CG 3.52Å; R468-L594 HydrophobicContact CG-CD1 3.64Å; R468-L594 HydrophobicContact CG-CD2 4.3Å; R468-L594 HydrophobicContact CG-CG 4.34Å; L469-L594 HydrophobicContact CD2-CD2 3.51Å; L469-L594 HydrophobicContact CG-CD2 3.94Å; I472-L594 HydrophobicContact CD1-CD1 4.45Å; I472-L594 HydrophobicContact CD1-CD2 4.06Å; L583-L594 HydrophobicContact CD1-CB 4.37Å; L583-L594 HydrophobicContact CD1-CD2 3.97Å; H588-L594 HydrophobicContact CB-CB 4.02Å; H588-L594 HydrophobicContact CB-CD1 4.13Å; H588-L594 VanDerWaalsContact CG-CD1 3.41Å; C590-L594 PolarHBondContact O-N 3.49Å; C590-L594 VanDerWaalsContact O-N 3.14Å; L591-L594 HydrophobicContact CD1-CD2 4.32Å; L591-L594 PolarHBondContact O-N 3.33Å; T592-L594 VanDerWaalsContact C-N 3.35Å; L594-W597 WeakPolarHBondContact O-CB 3.41Å; L594-W597 PolarHBondContact O-N 3.47Å; L594-I598 WeakPolarHBondContact O-CG1 3.46Å; L594-I598 PolarHBondContact O-N 3.39Å |
| 595 | R | 98.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 173.1 | -78.3 | 176.9 | 174.1 | 112.7 | 6.2 | 111.6 | V461 E462 L465 L591 T592 W597 I598 L599 | V461-R595 HydrophobicContact CG1-CB 4.22Å; V461-R595 HydrophobicContact CG1-CG 4.24Å; E462-R595 WeakPolarHBondContact OE1-CD 3.33Å; E462-R595 IonicContact OE1-CZ 3.91Å; E462-R595 IonicContact OE1-NE 3.11Å; E462-R595 PolarHBondContact OE1-NE 3.14Å; E462-R595 IonicContact OE1-NH2 3.51Å; E462-R595 IonicContact OE2-CZ 3.72Å; E462-R595 IonicContact OE2-NE 3.67Å; E462-R595 PolarHBondContact OE2-NE 2.8Å; E462-R595 IonicContact OE2-NH2 2.74Å; E462-R595 PolarHBondContact OE2-NH2 2.71Å; L465-R595 HydrophobicContact CD1-CG 4.16Å; L465-R595 HydrophobicContact CD2-CG 3.67Å; L591-R595 VanDerWaalsContact CG-NH1 3.34Å; L591-R595 WeakPolarHBondContact O-CG 3.39Å; L591-R595 PolarHBondContact O-N 3.4Å; T592-R595 WeakPolarHBondContact O-CB 3.41Å; T592-R595 PolarHBondContact O-N 3.33Å; R595-W597 VanDerWaalsContact C-N 3.3Å; R595-W597 PolarHBondContact O-N 3.21Å; R595-I598 PolarHBondContact O-N 3.25Å; R595-L599 WeakPolarHBondContact O-CB 3.49Å; R595-L599 PolarHBondContact O-N 3.01Å |
| 596 | A | 98.1 | Very high | 94.6 | Very high | 59 Ų | 59 | 61 Ų | 61 | 49% | 0.488 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T592 N593 L599 K600 | T592-A596 PolarHBondContact O-N 2.85Å; N593-A596 PolarHBondContact O-N 3.01Å; A596-L599 PolarHBondContact O-N 3.32Å; A596-K600 PolarHBondContact O-N 3.5Å; A596-K600 VanDerWaalsContact O-N 3.14Å |
| 597 | W | 97.9 | Very high | 93 | Very high | 99 Ų | 99 | 62.2 Ų | 62.2 | 38% | 0.375 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.7 | -173.7 | 95.3 | 0 | 0 | 0 | 112.2 | F479 H588 N593 L594 R595 K600 H601 | F479-W597 HydrophobicContact CD1-CH2 4.4Å; F479-W597 HydrophobicContact CD1-CZ3 4.39Å; F479-W597 HydrophobicContact CE1-CH2 4.02Å; F479-W597 AromaticContact CE1-CZ3 3.74Å; F479-W597 HydrophobicContact CE1-CZ3 3.74Å; F479-W597 HydrophobicContact CZ-CZ3 4.4Å; H588-W597 AromaticContact CE1-CD1 3.74Å; H588-W597 AromaticContact CE1-CD2 3.87Å; H588-W597 AromaticContact CE1-CG 3.56Å; H588-W597 AromaticContact ND1-CG 3.97Å; N593-W597 PolarHBondContact O-N 2.84Å; L594-W597 WeakPolarHBondContact O-CB 3.41Å; L594-W597 PolarHBondContact O-N 3.47Å; R595-W597 VanDerWaalsContact C-N 3.3Å; R595-W597 PolarHBondContact O-N 3.21Å; W597-K600 PolarHBondContact O-N 2.92Å; W597-H601 HydrophobicContact CZ3-CB 4.28Å; W597-H601 PolarHBondContact O-N 3.07Å |
| 598 | I | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.2 | -67.3 | -72 | 0 | 0 | 0 | 111.2 | V461 M464 L465 R468 F479 L594 R595 K600 H601 V602 | V461-I598 HydrophobicContact CB-CG2 4.18Å; V461-I598 HydrophobicContact CG1-CB 4.16Å; V461-I598 HydrophobicContact CG1-CG2 3.89Å; V461-I598 HydrophobicContact CG2-CG2 4.2Å; M464-I598 HydrophobicContact CB-CD1 4.5Å; M464-I598 HydrophobicContact CB-CG2 3.79Å; L465-I598 HydrophobicContact CD1-CG1 4.41Å; R468-I598 HydrophobicContact CB-CD1 3.82Å; R468-I598 HydrophobicContact CG-CD1 3.96Å; F479-I598 HydrophobicContact CE1-CD1 4.13Å; F479-I598 HydrophobicContact CE2-CD1 4.17Å; F479-I598 HydrophobicContact CZ-CD1 3.5Å; F479-I598 VanDerWaalsContact CZ-CD1 3.5Å; L594-I598 WeakPolarHBondContact O-CG1 3.46Å; L594-I598 PolarHBondContact O-N 3.39Å; R595-I598 PolarHBondContact O-N 3.25Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 2.96Å; I598-H601 CarbonylContact O-C 3.59Å; I598-H601 WeakPolarHBondContact O-CA 3.44Å; I598-H601 WeakPolarHBondContact O-CB 3.48Å; I598-H601 PolarHBondContact O-N 3.3Å; I598-V602 HydrophobicContact CG2-CG2 4.23Å; I598-V602 WeakPolarHBondContact O-CG2 3.43Å; I598-V602 PolarHBondContact O-N 3.33Å |
| 599 | L | 97.8 | Very high | 89.3 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 175 | 178.9 | 62.2 | 0 | 0 | 0 | 111.4 | E457 V461 R595 A596 H601 V602 R603 | E457-L599 HydrophobicContact CG-CD1 3.6Å; E457-L599 WeakPolarHBondContact OE1-CD1 3.5Å; V461-L599 HydrophobicContact CG2-CB 3.93Å; V461-L599 HydrophobicContact CG2-CD1 3.89Å; R595-L599 WeakPolarHBondContact O-CB 3.49Å; R595-L599 PolarHBondContact O-N 3.01Å; A596-L599 PolarHBondContact O-N 3.32Å; L599-H601 VanDerWaalsContact C-N 3.31Å; L599-H601 PolarHBondContact O-N 3.12Å; L599-V602 PolarHBondContact O-N 3.02Å; L599-R603 WeakPolarHBondContact O-CG 3.08Å; L599-R603 PolarHBondContact O-N 3.42Å |
| 600 | K | 96.8 | Very high | 87.2 | Confident | 140 Ų | 140 | 65.8 Ų | 65.8 | 61% | 0.609 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 173.8 | -174 | 177.6 | -179.7 | 177.5 | 0 | 111.6 | A596 W597 I598 R603 N604 | A596-K600 PolarHBondContact O-N 3.5Å; A596-K600 VanDerWaalsContact O-N 3.14Å; W597-K600 PolarHBondContact O-N 2.92Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 2.96Å; K600-R603 PolarHBondContact O-N 2.92Å; K600-N604 WeakPolarHBondContact O-CB 3.49Å; K600-N604 PolarHBondContact O-N 3.27Å; K600-N604 PolarHBondContact O-ND2 2.81Å; K600-N604 PolarHBondContact O-OD1 3.44Å |
| 601 | H | 95.1 | Very high | 84.7 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 22% | 0.218 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.2 | -179.3 | 87.2 | 0 | 0 | 0 | 112.9 | M464 W597 I598 L599 N604 T605 | M464-H601 VanDerWaalsContact CE-CD2 3.43Å; M464-H601 WeakPolarHBondContact CE-CD2 3.17Å; W597-H601 HydrophobicContact CZ3-CB 4.28Å; W597-H601 PolarHBondContact O-N 3.07Å; I598-H601 CarbonylContact O-C 3.59Å; I598-H601 WeakPolarHBondContact O-CA 3.44Å; I598-H601 WeakPolarHBondContact O-CB 3.48Å; I598-H601 PolarHBondContact O-N 3.3Å; L599-H601 VanDerWaalsContact C-N 3.31Å; L599-H601 PolarHBondContact O-N 3.12Å; H601-N604 PolarHBondContact O-N 3.35Å; H601-T605 WeakPolarHBondContact O-CB 3.48Å; H601-T605 PolarHBondContact O-N 2.79Å; H601-T605 VanDerWaalsContact O-N 3.08Å; H601-T605 PolarHBondContact O-OG1 3.23Å |
| 602 | V | 94.5 | Very high | 82.4 | Confident | 7 Ų | 7 | 77.3 Ų | 77.3 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | E457 Q460 V461 M464 I598 L599 N604 T605 K606 | E457-V602 HydrophobicContact CG-CG1 4.45Å; Q460-V602 HydrophobicContact CG-CG1 4.23Å; Q460-V602 HydrophobicContact CG-CG2 4.19Å; V461-V602 HydrophobicContact CG2-CG2 4.35Å; M464-V602 HydrophobicContact SD-CG2 3.65Å; I598-V602 HydrophobicContact CG2-CG2 4.23Å; I598-V602 WeakPolarHBondContact O-CG2 3.43Å; I598-V602 PolarHBondContact O-N 3.33Å; L599-V602 PolarHBondContact O-N 3.02Å; V602-N604 PolarHBondContact O-N 3.47Å; V602-T605 PolarHBondContact O-N 2.98Å; V602-K606 HydrophobicContact CG1-CD 4.41Å; V602-K606 PolarHBondContact O-N 2.91Å |
| 603 | R | 93.9 | Very high | 79.7 | Confident | 132 Ų | 132 | 80.4 Ų | 80.4 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 179.2 | -72.1 | 177.2 | 177.7 | 175.8 | -0.2 | 112.7 | E457 L599 K600 T605 K606 G607 | E457-R603 IonicContact OE1-CZ 3.5Å; E457-R603 IonicContact OE1-NE 3.33Å; E457-R603 PolarHBondContact OE1-NE 3.27Å; E457-R603 IonicContact OE1-NH2 2.79Å; E457-R603 PolarHBondContact OE1-NH2 3.29Å; E457-R603 WeakPolarHBondContact OE2-CG 3.41Å; E457-R603 IonicContact OE2-CZ 3.85Å; E457-R603 IonicContact OE2-NE 2.92Å; E457-R603 PolarHBondContact OE2-NE 3.15Å; E457-R603 IonicContact OE2-NH2 3.88Å; L599-R603 WeakPolarHBondContact O-CG 3.08Å; L599-R603 PolarHBondContact O-N 3.42Å; K600-R603 PolarHBondContact O-N 2.92Å; R603-T605 VanDerWaalsContact C-N 3.31Å; R603-T605 PolarHBondContact O-N 3.42Å; R603-K606 PolarHBondContact O-N 3.45Å; R603-G607 PolarHBondContact O-N 3.36Å |
| 604 | N | 90.7 | Very high | 76.4 | Confident | 91 Ų | 91 | 80 Ų | 80 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 177.5 | -71.9 | -9.1 | 0 | 0 | 0 | 112.1 | K600 H601 V602 G607 L608 | K600-N604 WeakPolarHBondContact O-CB 3.49Å; K600-N604 PolarHBondContact O-N 3.27Å; K600-N604 PolarHBondContact O-ND2 2.81Å; K600-N604 PolarHBondContact O-OD1 3.44Å; H601-N604 PolarHBondContact O-N 3.35Å; V602-N604 PolarHBondContact O-N 3.47Å; N604-G607 PolarHBondContact O-N 3.37Å; N604-L608 WeakPolarHBondContact O-CD1 3.47Å; N604-L608 PolarHBondContact O-N 3.11Å; N604-L608 VanDerWaalsContact O-N 3.11Å |
| 605 | T | 82.6 | Confident | 73.7 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 39% | 0.387 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.1 | -36.7 | -179.8 | -55 | 0 | 0 | 0 | 0 | 111.5 | H601 V602 R603 N609 | H601-T605 WeakPolarHBondContact O-CB 3.48Å; H601-T605 PolarHBondContact O-N 2.79Å; H601-T605 VanDerWaalsContact O-N 3.08Å; H601-T605 PolarHBondContact O-OG1 3.23Å; V602-T605 PolarHBondContact O-N 2.98Å; R603-T605 VanDerWaalsContact C-N 3.31Å; R603-T605 PolarHBondContact O-N 3.42Å; T605-N609 PolarHBondContact O-N 3.33Å; T605-N609 PolarHBondContact O-ND2 3.45Å |
| 606 | K | 74.9 | Confident | 71.2 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 38% | 0.378 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 170.8 | -72.7 | -174.7 | 178.1 | -178 | 0 | 111.6 | V602 R603 L608 N609 T610 | V602-K606 HydrophobicContact CG1-CD 4.41Å; V602-K606 PolarHBondContact O-N 2.91Å; R603-K606 PolarHBondContact O-N 3.45Å; K606-L608 VanDerWaalsContact C-N 3.34Å; K606-L608 PolarHBondContact O-N 3.43Å; K606-N609 PolarHBondContact O-N 3.14Å; K606-N609 VanDerWaalsContact O-N 3.09Å; K606-T610 PolarHBondContact O-N 3.45Å; K606-T610 VanDerWaalsContact O-N 3.07Å; K606-T610 PolarHBondContact O-OG1 3.09Å |
| 607 | G | 62.5 | Low | 69.8 | Low | 33 Ų | 33 | 93.5 Ų | 93.5 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R603 N604 T610 Q611 | R603-G607 PolarHBondContact O-N 3.36Å; N604-G607 PolarHBondContact O-N 3.37Å; G607-T610 WeakPolarHBondContact CA-OG1 3.42Å; G607-T610 PolarHBondContact O-N 3Å; G607-T610 PolarHBondContact O-OG1 3.29Å; G607-Q611 PolarHBondContact O-N 3.4Å |
| 608 | L | 59 | Low | 68.3 | Low | 110 Ų | 110 | 93.2 Ų | 93.2 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -35.5 | 173.2 | -79.6 | 156.7 | 0 | 0 | 0 | 112.5 | N604 K606 I612 | N604-L608 WeakPolarHBondContact O-CD1 3.47Å; N604-L608 PolarHBondContact O-N 3.11Å; N604-L608 VanDerWaalsContact O-N 3.11Å; K606-L608 VanDerWaalsContact C-N 3.34Å; K606-L608 PolarHBondContact O-N 3.43Å; L608-I612 WeakPolarHBondContact O-CD1 3.35Å; L608-I612 WeakPolarHBondContact O-CG1 3.42Å |
| 609 | N | 53.6 | Low | 66.7 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74 | -31.4 | 177.6 | -69.5 | -25.9 | 0 | 0 | 0 | 112.5 | T605 K606 H613 | T605-N609 PolarHBondContact O-N 3.33Å; T605-N609 PolarHBondContact O-ND2 3.45Å; K606-N609 PolarHBondContact O-N 3.14Å; K606-N609 VanDerWaalsContact O-N 3.09Å; N609-H613 PolarHBondContact O-CD2 2.82Å |
| 610 | T | 51.6 | Low | 64.9 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.3 | -32.2 | 175.9 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | K606 G607 I612 H613 A614 | K606-T610 PolarHBondContact O-N 3.45Å; K606-T610 VanDerWaalsContact O-N 3.07Å; K606-T610 PolarHBondContact O-OG1 3.09Å; G607-T610 WeakPolarHBondContact CA-OG1 3.42Å; G607-T610 PolarHBondContact O-N 3Å; G607-T610 PolarHBondContact O-OG1 3.29Å; T610-I612 VanDerWaalsContact C-N 3.32Å; T610-I612 PolarHBondContact O-N 3.39Å; T610-H613 PolarHBondContact O-N 3.46Å; T610-A614 PolarHBondContact O-N 3.3Å |
| 611 | Q | 43.5 | Very low | 62.9 | Low | 159 Ų | 159 | 99.4 Ų | 99.4 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.2 | -20.6 | 176.9 | -74.8 | -168.3 | -11.3 | 0 | 0 | 113.9 | G607 H613 | G607-Q611 PolarHBondContact O-N 3.4Å; Q611-H613 VanDerWaalsContact C-N 3.29Å |
| 612 | I | 47.3 | Very low | 60.7 | Low | 128 Ų | 128 | 102.9 Ų | 102.9 | 66% | 0.656 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.3 | 175.2 | -62.6 | 167.5 | 0 | 0 | 0 | 111.4 | L608 T610 | L608-I612 WeakPolarHBondContact O-CD1 3.35Å; L608-I612 WeakPolarHBondContact O-CG1 3.42Å; T610-I612 VanDerWaalsContact C-N 3.32Å; T610-I612 PolarHBondContact O-N 3.39Å |
| 613 | H | 41.6 | Very low | 58.3 | Low | 159 Ų | 159 | 109.7 Ų | 109.7 | 74% | 0.736 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -115.4 | 12.6 | -176.7 | -72.8 | -60.2 | 0 | 0 | 0 | 114.2 | N609 T610 Q611 | N609-H613 PolarHBondContact O-CD2 2.82Å; T610-H613 PolarHBondContact O-N 3.46Å; Q611-H613 VanDerWaalsContact C-N 3.29Å |
| 614 | A | 29.8 | Very low | 55.6 | Low | 72 Ų | 72 | 108 Ų | 108 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | trans | -68.6 | 127.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | T610 | T610-A614 PolarHBondContact O-N 3.3Š| ||
| 615 | P | 41 | Very low | 52.6 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | trans | -65.1 | 151.6 | 172 | 29.8 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 616 | P | 44.3 | Very low | 49.9 | Very low | 203 Ų | 203 | 113.6 Ų | 113.6 | 100% | 1.318 | 65% | 0.65 | S | S | * | * | trans | -60.2 | 0 | -178.7 | 26.2 | -34.3 | 0 | 0 | 0 | 113.4 |
Retrieved 616 of 616 residues in 122.7 ms
(Link to these results)