| 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 | 88.1 | Confident | 94.2 | Very high | 64 Ų | 64 | 10.2 Ų | 10.2 | 32% | 0.315 | 6% | 0.059 | S | C | . | . | 0 | 141.5 | 0 | 164.7 | 154.1 | 168.1 | 0 | 0 | 107.6 | L26 E27 N190 V191 F333 L337 T342 | M1-L26 HydrophobicContact CB-CD2 3.77Å; M1-L26 HydrophobicContact CG-CD2 3.94Å; M1-L26 WeakPolarHBondContact O-CD2 3.16Å; M1-E27 PolarHBondContact O-N 3.4Å; M1-E27 VanDerWaalsContact O-N 3.09Å; M1-N190 VanDerWaalsContact CA-OD1 3.31Å; M1-N190 WeakPolarHBondContact CA-OD1 3.41Å; M1-N190 HydrophobicContact CE-CB 4.01Å; M1-N190 HydrophobicContact CG-CB 3.93Å; M1-N190 WeakPolarHBondContact CG-OD1 3.15Å; M1-N190 HydrophobicContact SD-CB 4.18Å; M1-V191 HydrophobicContact CE-CB 4.4Å; M1-V191 HydrophobicContact CE-CG2 3.32Å; M1-F333 HydrophobicContact CE-CE2 4.04Å; M1-F333 HydrophobicContact CE-CZ 3.9Å; M1-L337 HydrophobicContact CE-CD2 3.56Å; M1-L337 HydrophobicContact CE-CG 4.49Å; M1-L337 HydrophobicContact SD-CD2 3.45Å; M1-L337 WeakPolarHBondContact SD-CD2 3.36Å; M1-T342 HydrophobicContact SD-CG2 3.94Å | |||
| 2 | K | 93.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 9.3 Ų | 9.3 | 7% | 0.074 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.4 | -172.4 | -172.3 | 178.7 | -172.1 | 154.3 | 0 | 112.6 | E27 Q187 I189 N190 | K2-E27 CarbonylContact C-O 3.59Å; K2-E27 VanDerWaalsContact CA-O 3.25Å; K2-E27 WeakPolarHBondContact CA-O 3.44Å; K2-E27 HydrophobicContact CB-CB 4.13Å; K2-E27 HydrophobicContact CB-CG 4.46Å; K2-E27 VanDerWaalsContact CD-CD 3.44Å; K2-E27 HydrophobicContact CD-CG 4.21Å; K2-E27 VanDerWaalsContact CD-OE1 3.3Å; K2-E27 WeakPolarHBondContact CD-OE1 3.44Å; K2-E27 WeakPolarHBondContact CD-OE2 3.43Å; K2-E27 WeakPolarHBondContact CE-OE1 3.4Å; K2-E27 HydrophobicContact CG-CB 4.05Å; K2-E27 HydrophobicContact CG-CG 3.93Å; K2-E27 IonicContact NZ-OE1 2.97Å; K2-E27 PolarHBondContact NZ-OE1 3.09Å; K2-Q187 WeakPolarHBondContact CD-O 3.4Å; K2-Q187 WeakPolarHBondContact CE-O 3.14Å; K2-Q187 PolarHBondContact NZ-O 3.34Å; K2-I189 HydrophobicContact CD-CG1 3.93Å; K2-I189 HydrophobicContact CG-CG1 4.01Å; K2-N190 PolarHBondContact N-OD1 3.37Å; K2-N190 PolarHBondContact O-N 3.27Å |
| 3 | V | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128 | 178.9 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | I5 I19 L26 E27 I29 V193 F333 | V3-I5 HydrophobicContact CG1-CG1 4.15Å; V3-I19 HydrophobicContact CG1-CD1 4.45Å; V3-L26 HydrophobicContact CG2-CD1 3.98Å; V3-E27 PolarHBondContact N-O 2.95Å; V3-I29 PolarHBondContact O-N 2.86Å; V3-V193 HydrophobicContact CG1-CG2 3.7Å; V3-F333 HydrophobicContact CG1-CE2 4.22Å; V3-F333 HydrophobicContact CG2-CE2 3.49Å; V3-F333 VanDerWaalsContact CG2-CE2 3.49Å; V3-F333 HydrophobicContact CG2-CZ 3.52Å |
| 4 | G | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 106.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I29 V191 I192 V193 | G4-I29 CarbonylContact C-O 3.58Å; G4-I29 WeakPolarHBondContact CA-O 3.34Å; G4-V191 PolarHBondContact N-O 2.67Å; G4-I192 CarbonylContact O-C 3.55Å; G4-I192 VanDerWaalsContact O-CA 3.25Å; G4-I192 WeakPolarHBondContact O-CA 3.22Å; G4-V193 PolarHBondContact O-N 3.33Å |
| 5 | I | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.3 | -179.5 | -53.2 | -172.2 | 0 | 0 | 0 | 108.7 | V3 A16 I19 L28 I29 I30 Q31 V193 | V3-I5 HydrophobicContact CG1-CG1 4.15Å; I5-A16 VanDerWaalsContact CD1-CA 3.43Å; I5-A16 HydrophobicContact CD1-CB 3.57Å; I5-I19 HydrophobicContact CD1-CD1 4.33Å; I5-L28 HydrophobicContact CD1-CD1 3.77Å; I5-L28 HydrophobicContact CD1-CD2 4.27Å; I5-L28 HydrophobicContact CD1-CG 4.06Å; I5-L28 HydrophobicContact CG1-CG 4.5Å; I5-I29 PolarHBondContact N-O 3.19Å; I5-I30 HydrophobicContact CB-CG1 4.39Å; I5-I30 CarbonylContact O-C 3.36Å; I5-I30 VanDerWaalsContact O-CA 3.29Å; I5-I30 WeakPolarHBondContact O-CA 3.4Å; I5-Q31 PolarHBondContact O-N 3.23Å; I5-V193 WeakPolarHBondContact CA-O 3.35Å; I5-V193 HydrophobicContact CG1-CB 4.07Å; I5-V193 HydrophobicContact CG1-CG2 4.27Å; I5-V193 HydrophobicContact CG2-CB 4.44Å |
| 6 | I | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.7 | 179.8 | 57.8 | 169.8 | 0 | 0 | 0 | 111.1 | Q31 F174 L180 W183 I192 V193 N194 C195 T196 | I6-Q31 CarbonylContact C-O 3.55Å; I6-Q31 VanDerWaalsContact CA-O 3.31Å; I6-Q31 WeakPolarHBondContact CA-O 3.47Å; I6-Q31 HydrophobicContact CG2-CB 4.26Å; I6-F174 HydrophobicContact CG2-CE2 4.01Å; I6-L180 HydrophobicContact CD1-CD1 3.71Å; I6-L180 HydrophobicContact CD1-CD2 3.61Å; I6-L180 HydrophobicContact CD1-CG 4.3Å; I6-L180 HydrophobicContact CG2-CD1 3.67Å; I6-W183 HydrophobicContact CG2-CE3 4.46Å; I6-W183 HydrophobicContact CG2-CH2 3.83Å; I6-W183 HydrophobicContact CG2-CZ3 3.67Å; I6-I192 HydrophobicContact CD1-CG2 4.17Å; I6-I192 HydrophobicContact CG1-CG2 4.13Å; I6-V193 PolarHBondContact N-O 2.95Å; I6-N194 HydrophobicContact CD1-CB 3.94Å; I6-N194 HydrophobicContact CG1-CB 4Å; I6-C195 CarbonylContact O-C 3.47Å; I6-C195 VanDerWaalsContact O-C 3.25Å; I6-C195 VanDerWaalsContact O-CA 3.27Å; I6-C195 WeakPolarHBondContact O-CA 3.27Å; I6-C195 WeakPolarHBondContact O-CB 3.43Å; I6-C195 PolarHBondContact O-N 2.97Å; I6-T196 HydrophobicContact CB-CG2 3.74Å; I6-T196 HydrophobicContact CD1-CG2 3.75Å; I6-T196 HydrophobicContact CG1-CG2 3.67Å; I6-T196 PolarHBondContact O-N 3.36Å |
| 7 | G | 94.2 | Very high | 95.2 | Very high | 9 Ų | 9 | 7 Ų | 7 | 9% | 0.093 | 4% | 0.04 | C | C | . | . | trans | 100 | 128.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q31 | G7-Q31 PolarHBondContact N-O 3.49Š| ||
| 8 | S | 94.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 6.6 Ų | 6.6 | 3% | 0.028 | 4% | 0.038 | C | C | . | . | trans | -104.7 | 9.5 | -176.1 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | L13 A32 K34 V39 | S8-L13 WeakPolarHBondContact O-CD1 3.26Å; S8-L13 WeakPolarHBondContact O-CG 3.28Å; S8-A32 WeakPolarHBondContact OG-CB 3.36Å; S8-K34 PolarHBondContact OG-O 2.69Å; S8-V39 WeakPolarHBondContact OG-CG1 3.31Å | ||
| 9 | G | 93.3 | Very high | 95.3 | Very high | 9 Ų | 9 | 6.3 Ų | 6.3 | 9% | 0.093 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -72.8 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I11 G12 L13 S41 | G9-I11 PolarHBondContact O-N 3.22Å; G9-I11 VanDerWaalsContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 3.14Å; G9-L13 PolarHBondContact O-N 3.02Å; G9-S41 WeakPolarHBondContact CA-OG 3.08Å |
| 10 | I | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -55.2 | -37.5 | -174.6 | -167 | 173.9 | 0 | 0 | 0 | 112.5 | S14 S41 P145 Y148 M149 W296 V319 | I10-S14 VanDerWaalsContact O-CB 3.29Å; I10-S14 WeakPolarHBondContact O-CB 3.45Å; I10-S14 PolarHBondContact O-N 2.71Å; I10-S14 PolarHBondContact O-OG 3.46Å; I10-S14 VanDerWaalsContact O-OG 3.06Å; I10-S41 PolarHBondContact N-OG 2.68Å; I10-S41 VanDerWaalsContact N-OG 3.07Å; I10-P145 HydrophobicContact CD1-CB 4.47Å; I10-Y148 HydrophobicContact CD1-CD1 3.7Å; I10-Y148 HydrophobicContact CD1-CE1 4.14Å; I10-Y148 HydrophobicContact CG1-CD1 3.98Å; I10-Y148 HydrophobicContact CG1-CE1 4.22Å; I10-M149 HydrophobicContact CB-CG 4.16Å; I10-M149 HydrophobicContact CB-SD 4.25Å; I10-M149 HydrophobicContact CG1-CG 4.44Å; I10-W296 HydrophobicContact CG2-CH2 3.84Å; I10-W296 HydrophobicContact CG2-CZ2 3.98Å; I10-V319 HydrophobicContact CD1-CB 4.39Å; I10-V319 HydrophobicContact CD1-CG1 4.13Å; I10-V319 HydrophobicContact CD1-CG2 4.21Å |
| 11 | I | 95.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.6 | -46.7 | 176.5 | -48.3 | -53 | 0 | 0 | 0 | 111.5 | G9 T15 C195 N311 H314 | G9-I11 PolarHBondContact O-N 3.22Å; G9-I11 VanDerWaalsContact O-N 3.13Å; I11-T15 VanDerWaalsContact O-CB 3.31Å; I11-T15 WeakPolarHBondContact O-CB 3.48Å; I11-T15 PolarHBondContact O-N 2.68Å; I11-T15 PolarHBondContact O-OG1 3.37Å; I11-C195 HydrophobicContact CB-CB 4.47Å; I11-C195 HydrophobicContact CG2-CB 4.38Å; I11-N311 HydrophobicContact CG2-CB 3.95Å; I11-N311 VanDerWaalsContact CG2-ND2 3.32Å; I11-N311 WeakPolarHBondContact CG2-ND2 3.37Å; I11-N311 VanDerWaalsContact CG2-O 3.25Å; I11-N311 WeakPolarHBondContact CG2-O 3.36Å; I11-H314 VanDerWaalsContact CD1-CE1 3.44Å; I11-H314 WeakPolarHBondContact CD1-CE1 3.47Å |
| 12 | G | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G9 A16 | G9-G12 PolarHBondContact O-N 3.14Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 3.11Å |
| 13 | L | 97.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -72.4 | -40.2 | 179 | -63.7 | 177.4 | 0 | 0 | 0 | 113 | S8 G9 T15 A16 L17 I30 M149 L152 L153 | S8-L13 WeakPolarHBondContact O-CD1 3.26Å; S8-L13 WeakPolarHBondContact O-CG 3.28Å; G9-L13 PolarHBondContact O-N 3.02Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 3.17Å; L13-L17 PolarHBondContact O-N 3.24Å; L13-I30 HydrophobicContact CD2-CD1 3.93Å; L13-M149 HydrophobicContact CD1-CB 3.64Å; L13-M149 HydrophobicContact CD1-CG 3.91Å; L13-M149 HydrophobicContact CD1-SD 4.28Å; L13-L152 HydrophobicContact CB-CB 4.12Å; L13-L152 HydrophobicContact CB-CD1 3.81Å; L13-L153 HydrophobicContact CD1-CD1 4.14Å; L13-L153 HydrophobicContact CD1-CG 4.08Å; L13-L153 HydrophobicContact CD2-CD1 4.42Å; L13-L153 HydrophobicContact CD2-CD2 3.61Å; L13-L153 HydrophobicContact CD2-CG 3.84Å |
| 14 | S | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 172.9 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | I10 L17 A18 L152 S322 | I10-S14 VanDerWaalsContact O-CB 3.29Å; I10-S14 WeakPolarHBondContact O-CB 3.45Å; I10-S14 PolarHBondContact O-N 2.71Å; I10-S14 PolarHBondContact O-OG 3.46Å; I10-S14 VanDerWaalsContact O-OG 3.06Å; S14-L17 PolarHBondContact O-N 3.05Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 3.34Å; S14-L152 WeakPolarHBondContact OG-CD1 3.31Å; S14-S322 WeakPolarHBondContact CB-O 3.05Å; S14-S322 PolarHBondContact OG-OG 3.42Å |
| 15 | T | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69 | -38 | 177.9 | -48.4 | 0 | 0 | 0 | 0 | 112.2 | I11 L13 A18 I19 V193 N311 A329 | I11-T15 VanDerWaalsContact O-CB 3.31Å; I11-T15 WeakPolarHBondContact O-CB 3.48Å; I11-T15 PolarHBondContact O-N 2.68Å; I11-T15 PolarHBondContact O-OG1 3.37Å; L13-T15 VanDerWaalsContact C-N 3.34Å; T15-A18 PolarHBondContact O-N 2.86Å; T15-I19 HydrophobicContact CG2-CD1 3.92Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CB 3.25Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.43Å; T15-I19 PolarHBondContact O-N 3.26Å; T15-V193 HydrophobicContact CG2-CG1 3.83Å; T15-N311 PolarHBondContact OG1-ND2 3.48Å; T15-A329 HydrophobicContact CG2-CB 3.71Å |
| 16 | A | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I5 G12 L13 Q20 L28 I30 L156 | I5-A16 VanDerWaalsContact CD1-CA 3.43Å; I5-A16 HydrophobicContact CD1-CB 3.57Å; G12-A16 WeakPolarHBondContact O-CB 3.42Å; G12-A16 PolarHBondContact O-N 3.11Å; L13-A16 PolarHBondContact O-N 3.17Å; A16-Q20 PolarHBondContact O-N 2.74Å; A16-Q20 VanDerWaalsContact O-N 3.08Å; A16-L28 HydrophobicContact CB-CD1 4.16Å; A16-L28 HydrophobicContact CB-CD2 4.22Å; A16-L28 WeakPolarHBondContact O-CD1 3.32Å; A16-I30 HydrophobicContact CB-CD1 3.94Å; A16-L156 HydrophobicContact CB-CD2 3.68Å |
| 17 | L | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -47.7 | 176.2 | -176.4 | 60.9 | 0 | 0 | 0 | 111.3 | L13 S14 I19 Q20 E21 L152 K155 L156 L159 W323 | L13-L17 PolarHBondContact O-N 3.24Å; S14-L17 PolarHBondContact O-N 3.05Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.25Å; L17-Q20 PolarHBondContact O-N 3.2Å; L17-E21 HydrophobicContact CD1-CG 3.9Å; L17-E21 HydrophobicContact CG-CG 4.16Å; L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 WeakPolarHBondContact O-CG 3.04Å; L17-E21 PolarHBondContact O-N 3.13Å; L17-L152 HydrophobicContact CB-CD2 4.34Å; L17-L152 HydrophobicContact CD2-CD2 3.54Å; L17-K155 HydrophobicContact CD1-CB 3.69Å; L17-K155 HydrophobicContact CD2-CB 3.86Å; L17-K155 HydrophobicContact CD2-CG 4.38Å; L17-K155 HydrophobicContact CG-CB 4.47Å; L17-L156 HydrophobicContact CD1-CB 4.44Å; L17-L159 HydrophobicContact CD1-CD1 3.71Å; L17-W323 HydrophobicContact CD2-CH2 4.32Å; L17-W323 HydrophobicContact CD2-CZ3 4.17Å; L17-W323 HydrophobicContact CG-CH2 4.46Å |
| 18 | A | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -39.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S14 T15 N22 W323 A326 I327 V330 | S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.31Å; S14-A18 PolarHBondContact O-N 3.34Å; T15-A18 PolarHBondContact O-N 2.86Å; A18-N22 PolarHBondContact O-N 2.97Å; A18-N22 PolarHBondContact O-ND2 2.89Å; A18-W323 HydrophobicContact CB-CH2 4.45Å; A18-A326 HydrophobicContact CB-CB 4.11Å; A18-I327 HydrophobicContact CB-CD1 4.35Å; A18-V330 HydrophobicContact CB-CG2 3.77Å |
| 19 | I | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.4 | -70.5 | 171.3 | 0 | 0 | 0 | 110.9 | V3 I5 T15 L17 E21 N22 Y23 L26 L28 V193 V330 | V3-I19 HydrophobicContact CG1-CD1 4.45Å; I5-I19 HydrophobicContact CD1-CD1 4.33Å; T15-I19 HydrophobicContact CG2-CD1 3.92Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CB 3.25Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.43Å; T15-I19 PolarHBondContact O-N 3.26Å; L17-I19 VanDerWaalsContact C-N 3.32Å; L17-I19 PolarHBondContact O-N 3.25Å; I19-E21 PolarHBondContact O-N 3.14Å; I19-N22 PolarHBondContact O-N 2.88Å; I19-Y23 PolarHBondContact O-N 2.81Å; I19-L26 HydrophobicContact CG2-CD1 3.99Å; I19-L28 HydrophobicContact CG2-CD1 4.42Å; I19-V193 HydrophobicContact CD1-CG2 3.87Å; I19-V330 HydrophobicContact CG1-CG2 3.77Å |
| 20 | Q | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.5 | -33 | -178.2 | -156.5 | 73.1 | 31.1 | 0 | 0 | 112.9 | A16 L17 Y23 P24 L26 L156 L159 I160 | A16-Q20 PolarHBondContact O-N 2.74Å; A16-Q20 VanDerWaalsContact O-N 3.08Å; L17-Q20 PolarHBondContact O-N 3.2Å; Q20-Y23 CarbonylContact O-C 3.48Å; Q20-P24 PolarHBondContact NE2-O 3.38Å; Q20-P24 VanDerWaalsContact NE2-O 3.17Å; Q20-P24 WeakPolarHBondContact O-CA 3.3Å; Q20-L26 PolarHBondContact NE2-O 2.88Å; Q20-L156 HydrophobicContact CB-CD1 3.66Å; Q20-L156 HydrophobicContact CG-CD1 4.03Å; Q20-L159 HydrophobicContact CB-CD1 4.26Å; Q20-L159 HydrophobicContact CG-CB 3.77Å; Q20-L159 HydrophobicContact CG-CD1 4.32Å; Q20-I160 HydrophobicContact CG-CG1 4.07Å |
| 21 | E | 94.9 | Very high | 95 | Very high | 92 Ų | 92 | 29.6 Ų | 29.6 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 175.7 | -76.4 | -176.6 | 157.1 | 0 | 0 | 112.3 | L17 I19 L159 | L17-E21 HydrophobicContact CD1-CG 3.9Å; L17-E21 HydrophobicContact CG-CG 4.16Å; L17-E21 WeakPolarHBondContact O-CB 3.49Å; L17-E21 WeakPolarHBondContact O-CG 3.04Å; L17-E21 PolarHBondContact O-N 3.13Å; I19-E21 PolarHBondContact O-N 3.14Å; E21-L159 HydrophobicContact CG-CD1 3.58Å |
| 22 | N | 94.6 | Very high | 94.9 | Very high | 86 Ų | 86 | 29.7 Ų | 29.7 | 46% | 0.46 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -85.1 | -27.7 | 177 | -73.2 | -85.2 | 0 | 0 | 0 | 113 | A18 I19 V330 | A18-N22 PolarHBondContact O-N 2.97Å; A18-N22 PolarHBondContact O-ND2 2.89Å; I19-N22 PolarHBondContact O-N 2.88Å; N22-V330 HydrophobicContact CB-CG1 4.09Å |
| 23 | Y | 93.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 32.7 Ų | 32.7 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | trans | -133.9 | 71 | -177.1 | -63.1 | -69.1 | 0 | 0 | 0 | 113.1 | I19 Q20 N25 L26 V330 F333 E334 L337 | I19-Y23 PolarHBondContact O-N 2.81Å; Q20-Y23 CarbonylContact O-C 3.48Å; Y23-N25 PolarHBondContact O-N 3.49Å; Y23-L26 HydrophobicContact CD2-CD1 4.29Å; Y23-L26 HydrophobicContact CG-CD1 4.01Å; Y23-L26 PolarHBondContact O-N 3.29Å; Y23-L26 VanDerWaalsContact O-N 3.12Å; Y23-V330 HydrophobicContact CE2-CG1 4.31Å; Y23-F333 AromaticContact CD2-CD1 3.88Å; Y23-F333 HydrophobicContact CD2-CD1 3.88Å; Y23-F333 AromaticContact CD2-CE1 3.86Å; Y23-F333 HydrophobicContact CD2-CE1 3.86Å; Y23-F333 AromaticContact CE2-CD1 3.72Å; Y23-F333 HydrophobicContact CE2-CD1 3.72Å; Y23-F333 HydrophobicContact CE2-CE1 4.05Å; Y23-F333 HydrophobicContact CG-CE1 4.49Å; Y23-E334 HydrophobicContact CE2-CG 4.47Å; Y23-E334 VanDerWaalsContact OH-CG 3.26Å; Y23-E334 WeakPolarHBondContact OH-CG 3.45Å; Y23-L337 HydrophobicContact CD1-CD1 4.24Å; Y23-L337 HydrophobicContact CD2-CD1 4.47Å; Y23-L337 HydrophobicContact CE1-CD1 3.72Å; Y23-L337 HydrophobicContact CE2-CD1 3.96Å | ||
| 24 | P | 89.9 | Confident | 94.2 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 48% | 0.481 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.6 | -173.4 | -26.2 | 35.8 | 0 | 0 | 0 | 115.7 | Q20 L26 | Q20-P24 PolarHBondContact NE2-O 3.38Å; Q20-P24 VanDerWaalsContact NE2-O 3.17Å; Q20-P24 WeakPolarHBondContact O-CA 3.3Å; P24-L26 VanDerWaalsContact C-N 3.33Å |
| 25 | N | 89.2 | Confident | 93.7 | Very high | 163 Ų | 163 | 39.1 Ų | 39.1 | 87% | 0.872 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.4 | -179 | -63.6 | -33.8 | 0 | 0 | 0 | 114 | Y23 | Y23-N25 PolarHBondContact O-N 3.49Š|
| 26 | L | 91 | Very high | 93.2 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -86.3 | 144.8 | 173.8 | -67.5 | 175.2 | 0 | 0 | 0 | 111.9 | M1 V3 I19 Q20 Y23 P24 F333 | M1-L26 HydrophobicContact CB-CD2 3.77Å; M1-L26 HydrophobicContact CG-CD2 3.94Å; M1-L26 WeakPolarHBondContact O-CD2 3.16Å; V3-L26 HydrophobicContact CG2-CD1 3.98Å; I19-L26 HydrophobicContact CG2-CD1 3.99Å; Q20-L26 PolarHBondContact NE2-O 2.88Å; Y23-L26 HydrophobicContact CD2-CD1 4.29Å; Y23-L26 HydrophobicContact CG-CD1 4.01Å; Y23-L26 PolarHBondContact O-N 3.29Å; Y23-L26 VanDerWaalsContact O-N 3.12Å; P24-L26 VanDerWaalsContact C-N 3.33Å; L26-F333 HydrophobicContact CD1-CE1 3.48Å; L26-F333 VanDerWaalsContact CD1-CE1 3.48Å; L26-F333 HydrophobicContact CD1-CZ 3.53Å |
| 27 | E | 93.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.3 | 163.1 | -172 | -169.5 | 165.6 | 0 | 0 | 107.9 | M1 K2 V3 | M1-E27 PolarHBondContact O-N 3.4Å; M1-E27 VanDerWaalsContact O-N 3.09Å; K2-E27 CarbonylContact C-O 3.59Å; K2-E27 VanDerWaalsContact CA-O 3.25Å; K2-E27 WeakPolarHBondContact CA-O 3.44Å; K2-E27 HydrophobicContact CB-CB 4.13Å; K2-E27 HydrophobicContact CB-CG 4.46Å; K2-E27 VanDerWaalsContact CD-CD 3.44Å; K2-E27 HydrophobicContact CD-CG 4.21Å; K2-E27 VanDerWaalsContact CD-OE1 3.3Å; K2-E27 WeakPolarHBondContact CD-OE1 3.44Å; K2-E27 WeakPolarHBondContact CD-OE2 3.43Å; K2-E27 WeakPolarHBondContact CE-OE1 3.4Å; K2-E27 HydrophobicContact CG-CB 4.05Å; K2-E27 HydrophobicContact CG-CG 3.93Å; K2-E27 IonicContact NZ-OE1 2.97Å; K2-E27 PolarHBondContact NZ-OE1 3.09Å; V3-E27 PolarHBondContact N-O 2.95Å |
| 28 | L | 94.9 | Very high | 92 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.6 | -178 | -175.8 | 153.8 | 0 | 0 | 0 | 109.3 | I5 A16 I19 I30 L156 I160 I166 | I5-L28 HydrophobicContact CD1-CD1 3.77Å; I5-L28 HydrophobicContact CD1-CD2 4.27Å; I5-L28 HydrophobicContact CD1-CG 4.06Å; I5-L28 HydrophobicContact CG1-CG 4.5Å; A16-L28 HydrophobicContact CB-CD1 4.16Å; A16-L28 HydrophobicContact CB-CD2 4.22Å; A16-L28 WeakPolarHBondContact O-CD1 3.32Å; I19-L28 HydrophobicContact CG2-CD1 4.42Å; L28-I30 HydrophobicContact CD2-CD1 4.32Å; L28-I30 HydrophobicContact CD2-CG1 3.78Å; L28-L156 HydrophobicContact CD2-CD2 4.4Å; L28-I160 HydrophobicContact CB-CD1 4.23Å; L28-I160 HydrophobicContact CD2-CD1 4.28Å; L28-I166 HydrophobicContact CD2-CG2 4.47Å |
| 29 | I | 95.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.2 | 176.2 | -165.5 | 172.1 | 0 | 0 | 0 | 110.7 | V3 G4 I5 I166 S168 W183 I189 | V3-I29 PolarHBondContact O-N 2.86Å; G4-I29 CarbonylContact C-O 3.58Å; G4-I29 WeakPolarHBondContact CA-O 3.34Å; I5-I29 PolarHBondContact N-O 3.19Å; I29-I166 CarbonylContact C-O 3.33Å; I29-S168 VanDerWaalsContact CD1-OG 3.3Å; I29-S168 WeakPolarHBondContact CD1-OG 3.43Å; I29-S168 WeakPolarHBondContact CG1-OG 3.49Å; I29-W183 HydrophobicContact CG2-CH2 4.48Å; I29-W183 HydrophobicContact CG2-CZ2 4.11Å; I29-I189 HydrophobicContact CG2-CD1 3.81Å; I29-I189 HydrophobicContact CG2-CG1 4.13Å |
| 30 | I | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.9 | 176.9 | -52.4 | -176.1 | 0 | 0 | 0 | 109.1 | I5 L13 A16 L28 L156 I166 Y167 S168 | I5-I30 HydrophobicContact CB-CG1 4.39Å; I5-I30 CarbonylContact O-C 3.36Å; I5-I30 VanDerWaalsContact O-CA 3.29Å; I5-I30 WeakPolarHBondContact O-CA 3.4Å; L13-I30 HydrophobicContact CD2-CD1 3.93Å; A16-I30 HydrophobicContact CB-CD1 3.94Å; L28-I30 HydrophobicContact CD2-CD1 4.32Å; L28-I30 HydrophobicContact CD2-CG1 3.78Å; I30-L156 HydrophobicContact CD1-CD2 4.06Å; I30-I166 HydrophobicContact CD1-CG2 3.78Å; I30-I166 HydrophobicContact CG1-CG2 4.07Å; I30-I166 PolarHBondContact N-O 2.85Å; I30-Y167 HydrophobicContact CB-CD1 3.75Å; I30-Y167 HydrophobicContact CB-CE1 3.89Å; I30-Y167 HydrophobicContact CG2-CD1 3.89Å; I30-Y167 HydrophobicContact CG2-CE1 3.62Å; I30-Y167 WeakPolarHBondContact O-CA 3.37Å; I30-S168 PolarHBondContact O-N 3.01Å; I30-S168 PolarHBondContact O-OG 3.4Å |
| 31 | Q | 95.7 | Very high | 90.7 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.1 | 175 | 176 | 69.7 | 75.2 | 0 | 0 | 109.6 | I5 I6 G7 S168 R170 F174 W183 | I5-Q31 PolarHBondContact O-N 3.23Å; I6-Q31 CarbonylContact C-O 3.55Å; I6-Q31 VanDerWaalsContact CA-O 3.31Å; I6-Q31 WeakPolarHBondContact CA-O 3.47Å; I6-Q31 HydrophobicContact CG2-CB 4.26Å; G7-Q31 PolarHBondContact N-O 3.49Å; Q31-S168 PolarHBondContact OE1-OG 2.96Å; Q31-S168 VanDerWaalsContact OE1-OG 3.14Å; Q31-R170 PolarHBondContact NE2-O 3.12Å; Q31-F174 HydrophobicContact CG-CE2 3.65Å; Q31-F174 HydrophobicContact CG-CZ 3.72Å; Q31-W183 HydrophobicContact CB-CH2 3.8Å; Q31-W183 HydrophobicContact CB-CZ2 3.26Å; Q31-W183 HydrophobicContact CG-CD2 4.42Å; Q31-W183 HydrophobicContact CG-CZ2 3.95Å |
| 32 | A | 93.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | trans | -151.8 | 166.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | S8 K34 M171 T172 | S8-A32 WeakPolarHBondContact OG-CB 3.36Å; A32-K34 WeakPolarHBondContact CB-O 3.36Å; A32-M171 CarbonylContact O-C 3.28Å; A32-M171 WeakPolarHBondContact O-CA 3.37Å; A32-M171 WeakPolarHBondContact O-CB 3.47Å; A32-T172 CarbonylContact C-O 3.56Å; A32-T172 PolarHBondContact O-N 3.07Å | ||
| 33 | D | 90.7 | Very high | 90 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -95.5 | -36.5 | 169.5 | 66.9 | -31.7 | 0 | 0 | 0 | 112.2 | R173 | D33-R173 HydrophobicContact CB-CB 3.56Å; D33-R173 HydrophobicContact CB-CG 4.1Å; D33-R173 WeakPolarHBondContact OD2-CD 3.23Å; D33-R173 IonicContact OD2-NE 2.68Å; D33-R173 IonicContact OD2-NH1 2.68Å |
| 34 | K | 87.6 | Confident | 89.8 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 24% | 0.235 | 26% | 0.258 | C | S | . | . | trans | -112.4 | 159.4 | 174.4 | -60.4 | -168 | 179.4 | -169.3 | 0 | 110.6 | S8 A32 M38 V39 D263 | S8-K34 PolarHBondContact OG-O 2.69Å; A32-K34 WeakPolarHBondContact CB-O 3.36Å; K34-M38 HydrophobicContact CB-CB 3.88Å; K34-M38 HydrophobicContact CD-CB 4.29Å; K34-M38 VanDerWaalsContact CD-O 3.24Å; K34-M38 WeakPolarHBondContact CD-O 3.36Å; K34-M38 HydrophobicContact CG-CB 4.28Å; K34-V39 HydrophobicContact CB-CG1 4.24Å; K34-D263 IonicContact NZ-OD1 3.62Å; K34-D263 PolarHBondContact NZ-OD1 2.68Å | ||
| 35 | K | 88.4 | Confident | 89.8 | Confident | 84 Ų | 84 | 45.1 Ų | 45.1 | 37% | 0.365 | 24% | 0.238 | S | C | . | . | trans | -155.3 | 172 | 175.1 | 68.7 | -178.5 | -169.9 | 89.5 | 0 | 111.2 | V37 M38 M171 | K35-V37 PolarHBondContact O-N 3.05Å; K35-V37 VanDerWaalsContact O-N 3.16Å; K35-M38 VanDerWaalsContact O-CB 3.3Å; K35-M38 WeakPolarHBondContact O-CB 3.45Å; K35-M38 PolarHBondContact O-N 3.39Å; K35-M171 HydrophobicContact CD-SD 3.72Å; K35-M171 HydrophobicContact CG-SD 3.89Å | ||
| 36 | D | 86.8 | Confident | 90 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | 51.2 | -113 | 172.7 | -45.2 | -28.1 | 0 | 0 | 0 | 113 | M38 V39 | D36-M38 VanDerWaalsContact C-N 3.28Å; D36-M38 PolarHBondContact O-N 3.08Å; D36-V39 WeakPolarHBondContact O-CG2 3.31Å |
| 37 | V | 85 | Confident | 90.2 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 55% | 0.545 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -74.5 | -15.5 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 114 | K35 Y42 | K35-V37 PolarHBondContact O-N 3.05Å; K35-V37 VanDerWaalsContact O-N 3.16Å; V37-Y42 HydrophobicContact CB-CD1 4.03Å; V37-Y42 HydrophobicContact CB-CE1 3.93Å; V37-Y42 HydrophobicContact CB-CG 4.4Å; V37-Y42 HydrophobicContact CG1-CD1 4.37Å; V37-Y42 HydrophobicContact CG1-CD2 4.49Å; V37-Y42 HydrophobicContact CG1-CE1 3.85Å; V37-Y42 HydrophobicContact CG1-CE2 3.99Å |
| 38 | M | 83.4 | Confident | 90.3 | Very high | 111 Ų | 111 | 33.6 Ų | 33.6 | 55% | 0.547 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -90.4 | -15.4 | -173.3 | -58.5 | -61.1 | -63.8 | 0 | 0 | 113.4 | K34 K35 D36 | K34-M38 HydrophobicContact CB-CB 3.88Å; K34-M38 HydrophobicContact CD-CB 4.29Å; K34-M38 VanDerWaalsContact CD-O 3.24Å; K34-M38 WeakPolarHBondContact CD-O 3.36Å; K34-M38 HydrophobicContact CG-CB 4.28Å; K35-M38 VanDerWaalsContact O-CB 3.3Å; K35-M38 WeakPolarHBondContact O-CB 3.45Å; K35-M38 PolarHBondContact O-N 3.39Å; D36-M38 VanDerWaalsContact C-N 3.28Å; D36-M38 PolarHBondContact O-N 3.08Å |
| 39 | V | 86.4 | Confident | 90.2 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -74.8 | 142.7 | 174.8 | -67 | 0 | 0 | 0 | 0 | 110.1 | S8 K34 D36 S41 Y42 M149 | S8-V39 WeakPolarHBondContact OG-CG1 3.31Å; K34-V39 HydrophobicContact CB-CG1 4.24Å; D36-V39 WeakPolarHBondContact O-CG2 3.31Å; V39-S41 PolarHBondContact O-N 3.41Å; V39-Y42 WeakPolarHBondContact O-CB 3.4Å; V39-Y42 PolarHBondContact O-N 2.76Å; V39-M149 HydrophobicContact CG2-CE 3.69Å; V39-M149 HydrophobicContact CG2-SD 3.9Å |
| 40 | T | 86 | Confident | 89.9 | Confident | 62 Ų | 62 | 33.8 Ų | 33.8 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -45.1 | -37.7 | 166.9 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | Y42 G43 W296 Y297 | T40-Y42 PolarHBondContact O-N 3Å; T40-G43 PolarHBondContact O-N 2.93Å; T40-W296 HydrophobicContact CG2-CB 4.47Å; T40-W296 HydrophobicContact CG2-CG 4.37Å; T40-Y297 VanDerWaalsContact CG2-O 3.29Å; T40-Y297 WeakPolarHBondContact CG2-O 3.14Å |
| 41 | S | 88.4 | Confident | 89.3 | Confident | 13 Ų | 13 | 35 Ų | 35 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -65.8 | 5 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 116.8 | G9 I10 V39 P145 M149 W296 | G9-S41 WeakPolarHBondContact CA-OG 3.08Å; I10-S41 PolarHBondContact N-OG 2.68Å; I10-S41 VanDerWaalsContact N-OG 3.07Å; V39-S41 PolarHBondContact O-N 3.41Å; S41-P145 WeakPolarHBondContact O-CB 3.15Å; S41-M149 WeakPolarHBondContact CB-SD 3.45Å; S41-M149 WeakPolarHBondContact O-CE 3.07Å; S41-W296 VanDerWaalsContact CA-CE3 3.48Å; S41-W296 WeakPolarHBondContact O-CZ3 3.48Å |
| 42 | Y | 89 | Confident | 88.5 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -98.7 | -18.4 | 175.4 | -171.6 | -101.8 | 0 | 0 | 0 | 113.4 | V37 V39 T40 R146 M149 | V37-Y42 HydrophobicContact CB-CD1 4.03Å; V37-Y42 HydrophobicContact CB-CE1 3.93Å; V37-Y42 HydrophobicContact CB-CG 4.4Å; V37-Y42 HydrophobicContact CG1-CD1 4.37Å; V37-Y42 HydrophobicContact CG1-CD2 4.49Å; V37-Y42 HydrophobicContact CG1-CE1 3.85Å; V37-Y42 HydrophobicContact CG1-CE2 3.99Å; V39-Y42 WeakPolarHBondContact O-CB 3.4Å; V39-Y42 PolarHBondContact O-N 2.76Å; T40-Y42 PolarHBondContact O-N 3Å; Y42-R146 HydrophobicContact CD1-CG 4.33Å; Y42-R146 HydrophobicContact CD2-CB 4.1Å; Y42-R146 HydrophobicContact CD2-CG 3.77Å; Y42-R146 HydrophobicContact CE1-CG 4.13Å; Y42-R146 HydrophobicContact CE2-CB 3.58Å; Y42-R146 HydrophobicContact CE2-CG 3.53Å; Y42-R146 HydrophobicContact CG-CG 4.15Å; Y42-R146 VanDerWaalsContact O-CG 3.31Å; Y42-R146 WeakPolarHBondContact O-CG 3.49Å; Y42-R146 PolarHBondContact O-NE 2.98Å; Y42-R146 PolarHBondContact O-NH2 3.39Å; Y42-M149 HydrophobicContact CD2-CE 4.07Å |
| 43 | G | 85.2 | Confident | 87.7 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -90.8 | -30.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117 | T40 D295 | T40-G43 PolarHBondContact O-N 2.93Å; G43-D295 CarbonylContact C-O 2.72Å; G43-D295 WeakPolarHBondContact CA-O 3.17Å |
| 44 | A | 88.8 | Confident | 86.8 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -69.6 | 172.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R218 W296 | A44-R218 PolarHBondContact O-NH2 3.15Å; A44-W296 HydrophobicContact CB-CB 3.8Å; A44-W296 HydrophobicContact CB-CD2 3.4Å; A44-W296 HydrophobicContact CB-CE3 3.09Å; A44-W296 HydrophobicContact CB-CG 3.74Å; A44-W296 HydrophobicContact CB-CH2 4.37Å; A44-W296 HydrophobicContact CB-CZ3 3.57Å |
| 45 | A | 90.7 | Very high | 85.9 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | trans | -67 | -30.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I47 L216 Y236 Y238 I245 | A45-I47 PolarHBondContact O-N 3.37Å; A45-L216 HydrophobicContact CB-CD2 4.38Å; A45-Y236 HydrophobicContact CB-CE2 4.13Å; A45-Y238 HydrophobicContact CB-CD2 3.59Å; A45-Y238 HydrophobicContact CB-CE2 3.95Å; A45-I245 HydrophobicContact CB-CG2 3.81Å | ||
| 46 | G | 93.5 | Very high | 84.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | 80.5 | 2.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | I143 | G46-I143 VanDerWaalsContact CA-O 3.26Å; G46-I143 WeakPolarHBondContact CA-O 3.36Å; G46-I143 PolarHBondContact O-N 3.49Å | ||
| 47 | I | 95.3 | Very high | 82.8 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -67.7 | 136 | -178.8 | -167.6 | 167.8 | 0 | 0 | 0 | 113.3 | A45 R49 T94 T140 I142 Y238 | A45-I47 PolarHBondContact O-N 3.37Å; I47-R49 VanDerWaalsContact C-N 3.34Å; I47-R49 HydrophobicContact CD1-CB 4.36Å; I47-R49 HydrophobicContact CG1-CB 4.24Å; I47-R49 HydrophobicContact CG2-CB 4.15Å; I47-R49 PolarHBondContact O-N 3.02Å; I47-R49 VanDerWaalsContact O-N 3.11Å; I47-T94 HydrophobicContact CD1-CG2 4.04Å; I47-T140 HydrophobicContact CD1-CG2 3.87Å; I47-T140 HydrophobicContact CG1-CG2 3.84Å; I47-I142 HydrophobicContact CB-CD1 3.75Å; I47-I142 HydrophobicContact CG1-CD1 4.12Å; I47-Y238 HydrophobicContact CB-CD1 4.48Å; I47-Y238 HydrophobicContact CB-CD2 4.48Å; I47-Y238 HydrophobicContact CB-CE1 4.39Å; I47-Y238 HydrophobicContact CB-CE2 4.32Å; I47-Y238 HydrophobicContact CD1-CD1 3.56Å; I47-Y238 HydrophobicContact CD1-CE1 3.25Å; I47-Y238 HydrophobicContact CD1-CG 4.38Å; I47-Y238 HydrophobicContact CG1-CE1 4.38Å; I47-Y238 HydrophobicContact CG2-CD2 4.33Å; I47-Y238 HydrophobicContact CG2-CE1 4.24Å; I47-Y238 HydrophobicContact CG2-CE2 3.73Å |
| 48 | F | 95.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -77.5 | 84.2 | 163 | -168.2 | -89.3 | 0 | 0 | 0 | 109.6 | P50 C68 H72 Y75 W76 I108 L111 T140 C141 I143 A320 | F48-P50 VanDerWaalsContact C-CD 3.49Å; F48-P50 HydrophobicContact CD1-CG 4.3Å; F48-P50 HydrophobicContact CE1-CG 3.77Å; F48-P50 HydrophobicContact CZ-CG 3.91Å; F48-C68 WeakPolarHBondContact CZ-O 3.41Å; F48-H72 HydrophobicContact CE1-CB 4.22Å; F48-H72 HydrophobicContact CZ-CB 3.87Å; F48-Y75 AromaticContact CD2-CD2 3.63Å; F48-Y75 HydrophobicContact CD2-CD2 3.63Å; F48-Y75 AromaticContact CD2-CE2 3.89Å; F48-Y75 HydrophobicContact CD2-CE2 3.89Å; F48-Y75 AromaticContact CE2-CD2 4Å; F48-Y75 HydrophobicContact CE2-CD2 4Å; F48-Y75 HydrophobicContact CE2-CE2 4.12Å; F48-W76 HydrophobicContact CD1-CH2 4.09Å; F48-W76 AromaticContact CD1-CZ3 3.96Å; F48-W76 HydrophobicContact CD1-CZ3 3.96Å; F48-W76 HydrophobicContact CE1-CZ3 4.43Å; F48-W76 HydrophobicContact CG-CZ3 4.17Å; F48-I108 HydrophobicContact CD1-CD1 4.49Å; F48-L111 HydrophobicContact CE1-CB 4.25Å; F48-L111 HydrophobicContact CE1-CD1 4.24Å; F48-T140 PolarHBondContact O-OG1 3.04Å; F48-C141 WeakPolarHBondContact CB-O 3.15Å; F48-C141 PolarHBondContact N-O 3.36Å; F48-I143 HydrophobicContact CB-CD1 3.86Å; F48-I143 HydrophobicContact CD2-CD1 4.43Å; F48-A320 HydrophobicContact CD2-CB 3.75Å; F48-A320 HydrophobicContact CE2-CB 3.96Å; F48-A320 HydrophobicContact CG-CB 4.43Å | ||
| 49 | R | 91.8 | Very high | 79.6 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | trans | -130.1 | 64.9 | 170.4 | -163.1 | -175.7 | 81.7 | 73.9 | -0.1 | 111.1 | I47 D51 Y138 | I47-R49 VanDerWaalsContact C-N 3.34Å; I47-R49 HydrophobicContact CD1-CB 4.36Å; I47-R49 HydrophobicContact CG1-CB 4.24Å; I47-R49 HydrophobicContact CG2-CB 4.15Å; I47-R49 PolarHBondContact O-N 3.02Å; I47-R49 VanDerWaalsContact O-N 3.11Å; R49-D51 IonicContact NH1-OD2 2.71Å; R49-D51 PolarHBondContact NH1-OD2 2.95Å; R49-Y138 VanDerWaalsContact CD-OH 3.27Å; R49-Y138 WeakPolarHBondContact CD-OH 3.49Å; R49-Y138 WeakPolarHBondContact CG-OH 3.34Å | ||
| 50 | P | 89.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | trans | -62.5 | 140.6 | 171.1 | 27.9 | -34.9 | 0 | 0 | 0 | 110.9 | F48 F64 C68 F107 I108 L111 M317 A320 | F48-P50 VanDerWaalsContact C-CD 3.49Å; F48-P50 HydrophobicContact CD1-CG 4.3Å; F48-P50 HydrophobicContact CE1-CG 3.77Å; F48-P50 HydrophobicContact CZ-CG 3.91Å; P50-F64 HydrophobicContact CB-CE2 4.37Å; P50-F64 HydrophobicContact CB-CZ 3.84Å; P50-C68 WeakPolarHBondContact CB-SG 3.41Å; P50-C68 HydrophobicContact CG-CB 4.42Å; P50-F107 HydrophobicContact CB-CE1 4.44Å; P50-F107 HydrophobicContact CG-CE1 4.47Å; P50-I108 HydrophobicContact CG-CD1 4.15Å; P50-L111 HydrophobicContact CG-CD1 3.62Å; P50-M317 HydrophobicContact CB-SD 4.33Å; P50-A320 HydrophobicContact CB-CB 4.39Å | ||
| 51 | D | 83.9 | Confident | 77.4 | Confident | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | trans | -148 | 116.4 | 179.3 | -171.8 | -20.1 | 0 | 0 | 0 | 108.5 | R49 K53 L54 | R49-D51 IonicContact NH1-OD2 2.71Å; R49-D51 PolarHBondContact NH1-OD2 2.95Å; D51-K53 PolarHBondContact O-N 2.85Å; D51-K53 VanDerWaalsContact O-N 3.15Å; D51-K53 VanDerWaalsContact OD1-CB 3.27Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 VanDerWaalsContact OD1-CG 3.31Å; D51-K53 WeakPolarHBondContact OD1-CG 3.23Å; D51-K53 PolarHBondContact OD1-N 3.01Å; D51-K53 VanDerWaalsContact OD1-N 3.09Å; D51-L54 HydrophobicContact CB-CD1 4.08Å; D51-L54 HydrophobicContact CB-CG 4.13Å; D51-L54 WeakPolarHBondContact O-CB 3.42Å; D51-L54 PolarHBondContact O-N 3.18Å | ||
| 52 | P | 79.4 | Confident | 77 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -64.8 | -19.5 | -176.9 | 26.8 | -33.4 | 0 | 0 | 0 | 112.2 | L54 L55 F64 F107 | P52-L54 PolarHBondContact O-N 3.35Å; P52-L54 VanDerWaalsContact O-N 3.12Å; P52-L55 PolarHBondContact O-N 2.96Å; P52-L55 VanDerWaalsContact O-N 3.13Å; P52-F64 HydrophobicContact CB-CD1 4.05Å; P52-F64 HydrophobicContact CB-CE1 3.71Å; P52-F64 HydrophobicContact CG-CE1 4.27Å; P52-F107 VanDerWaalsContact CD-CG 3.49Å; P52-F107 HydrophobicContact CG-CB 4.48Å; P52-F107 HydrophobicContact CG-CD2 3.84Å; P52-F107 HydrophobicContact CG-CE2 4.17Å; P52-F107 HydrophobicContact CG-CG 4.05Å |
| 53 | K | 77.4 | Confident | 76.7 | Confident | 176 Ų | 176 | 64.5 Ų | 64.5 | 77% | 0.765 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -62.8 | -15.7 | 173 | -59.5 | 173.7 | -179.2 | 178.4 | 0 | 113 | D51 | D51-K53 PolarHBondContact O-N 2.85Å; D51-K53 VanDerWaalsContact O-N 3.15Å; D51-K53 VanDerWaalsContact OD1-CB 3.27Å; D51-K53 WeakPolarHBondContact OD1-CB 3.43Å; D51-K53 VanDerWaalsContact OD1-CG 3.31Å; D51-K53 WeakPolarHBondContact OD1-CG 3.23Å; D51-K53 PolarHBondContact OD1-N 3.01Å; D51-K53 VanDerWaalsContact OD1-N 3.09Å |
| 54 | L | 70.9 | Confident | 76.7 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -95.2 | 0.7 | 178.7 | -59.1 | 179.1 | 0 | 0 | 0 | 113.8 | D51 P52 M317 | D51-L54 HydrophobicContact CB-CD1 4.08Å; D51-L54 HydrophobicContact CB-CG 4.13Å; D51-L54 WeakPolarHBondContact O-CB 3.42Å; D51-L54 PolarHBondContact O-N 3.18Å; P52-L54 PolarHBondContact O-N 3.35Å; P52-L54 VanDerWaalsContact O-N 3.12Å; L54-M317 HydrophobicContact CB-CE 4.24Å; L54-M317 HydrophobicContact CB-SD 4.46Å |
| 55 | L | 67.9 | Low | 76.7 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -89.4 | 152.5 | 169.3 | -66.2 | -178.9 | 0 | 0 | 0 | 111.1 | P52 R57 F64 M317 | P52-L55 PolarHBondContact O-N 2.96Å; P52-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 PolarHBondContact O-N 2.91Å; L55-F64 HydrophobicContact CD1-CB 3.93Å; L55-F64 HydrophobicContact CD1-CD1 4.26Å; L55-F64 HydrophobicContact CD1-CD2 3.66Å; L55-F64 HydrophobicContact CD1-CE2 4.19Å; L55-F64 HydrophobicContact CD1-CG 3.68Å; L55-F64 HydrophobicContact CG-CD2 4.38Å; L55-F64 HydrophobicContact CG-CE2 4.47Å; L55-M317 HydrophobicContact CD2-CE 3.51Å; L55-M317 HydrophobicContact CG-CE 3.89Å |
| 56 | P | 58.4 | Low | 76.7 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | trans | -55.6 | 134.1 | 151.3 | -12.8 | 27.8 | 0 | 0 | 0 | 107.7 | S58 | P56-S58 PolarHBondContact O-N 2.84Š| ||
| 57 | R | 53.5 | Low | 76.6 | Confident | 253 Ų | 253 | 71.7 Ų | 71.7 | 96% | 0.955 | 36% | 0.362 | S | S | * | . | trans | -65.2 | 90.4 | -176.4 | -67.6 | -177.1 | -178.4 | 178.8 | -0.4 | 111.4 | L55 | L55-R57 PolarHBondContact O-N 2.91Š| ||
| 58 | S | 52.3 | Low | 76.5 | Confident | 59 Ų | 59 | 70.5 Ų | 70.5 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | trans | -76 | 164.9 | 163.3 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | P56 D60 | P56-S58 PolarHBondContact O-N 2.84Å; S58-D60 PolarHBondContact O-N 2.85Å; S58-D60 PolarHBondContact OG-N 3.49Å | ||
| 59 | N | 47.2 | Very low | 76.5 | Confident | 179 Ų | 179 | 74 Ų | 74 | 96% | 0.957 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -88 | 21.5 | 166.8 | -62.9 | -34 | 0 | 0 | 0 | 111.4 | ||
| 60 | D | 58.6 | Low | 76.6 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | trans | -129.5 | 59 | -170.2 | -168.7 | 7.2 | 0 | 0 | 0 | 110.7 | S58 D62 S63 | S58-D60 PolarHBondContact O-N 2.85Å; S58-D60 PolarHBondContact OG-N 3.49Å; D60-D62 PolarHBondContact O-N 3.34Å; D60-S63 VanDerWaalsContact CG-CB 3.49Å; D60-S63 VanDerWaalsContact OD1-CB 3.31Å; D60-S63 WeakPolarHBondContact OD1-CB 3.47Å; D60-S63 PolarHBondContact OD1-N 3.3Å; D60-S63 PolarHBondContact OD1-OG 3.18Å; D60-S63 WeakPolarHBondContact OD2-CB 3.47Å; D60-S63 PolarHBondContact OD2-OG 3.08Å | ||
| 61 | D | 68.2 | Low | 76.9 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -28.9 | 167.1 | -80.5 | -40.8 | 0 | 0 | 0 | 110.9 | F64 I65 | D61-F64 PolarHBondContact O-N 3.03Å; D61-I65 HydrophobicContact CB-CD1 4.31Å; D61-I65 VanDerWaalsContact O-CB 3.31Å; D61-I65 WeakPolarHBondContact O-CB 3.48Å; D61-I65 WeakPolarHBondContact O-CD1 3.3Å; D61-I65 WeakPolarHBondContact O-CG1 3.34Å; D61-I65 PolarHBondContact O-N 3.4Å |
| 62 | D | 79.3 | Confident | 77.5 | Confident | 130 Ų | 130 | 74.9 Ų | 74.9 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.9 | -48.3 | -176.8 | -76.2 | -18.3 | 0 | 0 | 0 | 112.3 | D60 F64 I65 H66 | D60-D62 PolarHBondContact O-N 3.34Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 2.89Å; D62-I65 PolarHBondContact O-N 3.12Å; D62-H66 VanDerWaalsContact O-CB 3.29Å; D62-H66 WeakPolarHBondContact O-CB 3.47Å; D62-H66 PolarHBondContact O-N 3.24Å |
| 63 | S | 83.5 | Confident | 78.2 | Confident | 34 Ų | 34 | 79 Ų | 79 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.9 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | D60 H66 W67 | D60-S63 VanDerWaalsContact CG-CB 3.49Å; D60-S63 VanDerWaalsContact OD1-CB 3.31Å; D60-S63 WeakPolarHBondContact OD1-CB 3.47Å; D60-S63 PolarHBondContact OD1-N 3.3Å; D60-S63 PolarHBondContact OD1-OG 3.18Å; D60-S63 WeakPolarHBondContact OD2-CB 3.47Å; D60-S63 PolarHBondContact OD2-OG 3.08Å; S63-H66 PolarHBondContact O-N 3.34Å; S63-W67 PolarHBondContact O-N 2.94Å |
| 64 | F | 85.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 177 | 171.5 | -106.8 | 0 | 0 | 0 | 112.2 | P50 P52 L55 D61 D62 W67 C68 F107 M317 L321 | P50-F64 HydrophobicContact CB-CE2 4.37Å; P50-F64 HydrophobicContact CB-CZ 3.84Å; P52-F64 HydrophobicContact CB-CD1 4.05Å; P52-F64 HydrophobicContact CB-CE1 3.71Å; P52-F64 HydrophobicContact CG-CE1 4.27Å; L55-F64 HydrophobicContact CD1-CB 3.93Å; L55-F64 HydrophobicContact CD1-CD1 4.26Å; L55-F64 HydrophobicContact CD1-CD2 3.66Å; L55-F64 HydrophobicContact CD1-CE2 4.19Å; L55-F64 HydrophobicContact CD1-CG 3.68Å; L55-F64 HydrophobicContact CG-CD2 4.38Å; L55-F64 HydrophobicContact CG-CE2 4.47Å; D61-F64 PolarHBondContact O-N 3.03Å; D62-F64 VanDerWaalsContact C-N 3.34Å; D62-F64 PolarHBondContact O-N 2.89Å; F64-W67 PolarHBondContact O-N 2.96Å; F64-C68 WeakPolarHBondContact O-CB 3.29Å; F64-C68 PolarHBondContact O-N 3Å; F64-C68 PolarHBondContact O-SG 2.95Å; F64-F107 HydrophobicContact CD1-CZ 4.15Å; F64-F107 AromaticContact CE1-CE1 3.78Å; F64-F107 HydrophobicContact CE1-CE1 3.78Å; F64-F107 HydrophobicContact CE1-CE2 4.42Å; F64-F107 AromaticContact CE1-CZ 3.64Å; F64-F107 HydrophobicContact CE1-CZ 3.64Å; F64-F107 HydrophobicContact CZ-CE1 4.38Å; F64-M317 HydrophobicContact CE2-CE 3.66Å; F64-M317 HydrophobicContact CE2-SD 3.91Å; F64-M317 HydrophobicContact CZ-CE 4.14Å; F64-M317 HydrophobicContact CZ-SD 4.02Å; F64-L321 HydrophobicContact CD2-CD1 4.36Å; F64-L321 HydrophobicContact CD2-CD2 4.05Å; F64-L321 HydrophobicContact CE2-CD1 4.23Å; F64-L321 HydrophobicContact CE2-CD2 3.96Å |
| 65 | I | 88.3 | Confident | 80.4 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 22% | 0.221 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.7 | -74.9 | 165.7 | 0 | 0 | 0 | 110.4 | D61 D62 C68 H69 F107 | D61-I65 HydrophobicContact CB-CD1 4.31Å; D61-I65 VanDerWaalsContact O-CB 3.31Å; D61-I65 WeakPolarHBondContact O-CB 3.48Å; D61-I65 WeakPolarHBondContact O-CD1 3.3Å; D61-I65 WeakPolarHBondContact O-CG1 3.34Å; D61-I65 PolarHBondContact O-N 3.4Å; D62-I65 PolarHBondContact O-N 3.12Å; I65-C68 WeakPolarHBondContact O-CB 3.19Å; I65-C68 PolarHBondContact O-N 2.97Å; I65-H69 PolarHBondContact O-CD2 2.8Å; I65-H69 PolarHBondContact O-N 3.38Å; I65-F107 HydrophobicContact CD1-CE2 4.24Å; I65-F107 HydrophobicContact CG1-CE2 3.79Å; I65-F107 HydrophobicContact CG1-CZ 3.88Å |
| 66 | H | 90.7 | Very high | 81.8 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 175.9 | 168.1 | 63.3 | 0 | 0 | 0 | 112.3 | D62 S63 C68 H69 L70 D328 K331 | D62-H66 VanDerWaalsContact O-CB 3.29Å; D62-H66 WeakPolarHBondContact O-CB 3.47Å; D62-H66 PolarHBondContact O-N 3.24Å; S63-H66 PolarHBondContact O-N 3.34Å; H66-C68 VanDerWaalsContact C-N 3.3Å; H66-C68 PolarHBondContact O-N 2.68Å; H66-H69 PolarHBondContact O-N 2.97Å; H66-L70 WeakPolarHBondContact CE1-CD1 3.41Å; H66-L70 VanDerWaalsContact CE1-CG 3.41Å; H66-L70 WeakPolarHBondContact CE1-CG 3.05Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.48Å; H66-L70 PolarHBondContact O-N 1.93Å; H66-D328 IonicContact CD2-OD1 2.75Å; H66-D328 IonicContact CD2-OD2 3.36Å; H66-D328 PolarHBondContact CD2-OD2 3.47Å; H66-D328 VanDerWaalsContact CD2-OD2 3.3Å; H66-D328 IonicContact NE2-OD1 3.12Å; H66-D328 PolarHBondContact NE2-OD1 2.97Å; H66-D328 IonicContact NE2-OD2 3.82Å; H66-D328 PolarHBondContact NE2-OD2 3.13Å; H66-K331 PolarHBondContact NE2-NZ 3.07Å |
| 67 | W | 92.3 | Very high | 83.6 | Confident | 65 Ų | 65 | 71 Ų | 71 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 175.5 | -57.1 | -28.4 | 0 | 0 | 0 | 112.6 | S63 F64 G71 L321 T325 D328 | S63-W67 PolarHBondContact O-N 2.94Å; F64-W67 PolarHBondContact O-N 2.96Å; W67-G71 PolarHBondContact O-N 3.25Å; W67-L321 HydrophobicContact CB-CD2 3.9Å; W67-T325 HydrophobicContact CB-CG2 4.38Å; W67-T325 HydrophobicContact CD2-CG2 3.55Å; W67-T325 HydrophobicContact CE3-CG2 3.8Å; W67-T325 HydrophobicContact CG-CG2 3.8Å; W67-T325 HydrophobicContact CZ2-CG2 4.47Å; W67-T325 HydrophobicContact CZ3-CG2 4.36Å; W67-D328 PolarHBondContact NE1-OD2 3.31Å |
| 68 | C | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.4 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | F48 P50 F64 I65 H66 G71 H72 L111 | F48-C68 WeakPolarHBondContact CZ-O 3.41Å; P50-C68 WeakPolarHBondContact CB-SG 3.41Å; P50-C68 HydrophobicContact CG-CB 4.42Å; F64-C68 WeakPolarHBondContact O-CB 3.29Å; F64-C68 PolarHBondContact O-N 3Å; F64-C68 PolarHBondContact O-SG 2.95Å; I65-C68 WeakPolarHBondContact O-CB 3.19Å; I65-C68 PolarHBondContact O-N 2.97Å; H66-C68 VanDerWaalsContact C-N 3.3Å; H66-C68 PolarHBondContact O-N 2.68Å; C68-G71 PolarHBondContact O-N 2.91Å; C68-H72 WeakPolarHBondContact O-CB 3.06Å; C68-H72 PolarHBondContact O-N 2.86Å; C68-L111 HydrophobicContact CB-CD1 3.7Å; C68-L111 HydrophobicContact CB-CD2 3.93Å; C68-L111 HydrophobicContact CB-CG 4.5Å |
| 69 | H | 94 | Very high | 87.8 | Confident | 74 Ų | 74 | 57 Ų | 57 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 176.5 | -79.2 | -68.6 | 0 | 0 | 0 | 112 | I65 H66 G71 H72 E73 | I65-H69 PolarHBondContact O-CD2 2.8Å; I65-H69 PolarHBondContact O-N 3.38Å; H66-H69 PolarHBondContact O-N 2.97Å; H69-G71 VanDerWaalsContact C-N 3.33Å; H69-G71 PolarHBondContact O-N 2.95Å; H69-H72 PolarHBondContact O-N 3.3Å; H69-E73 WeakPolarHBondContact O-CG 3.25Å; H69-E73 PolarHBondContact O-N 3.08Å |
| 70 | L | 95.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 175.9 | -72 | -177.3 | 0 | 0 | 0 | 113 | H66 Q74 I327 | H66-L70 WeakPolarHBondContact CE1-CD1 3.41Å; H66-L70 VanDerWaalsContact CE1-CG 3.41Å; H66-L70 WeakPolarHBondContact CE1-CG 3.05Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.48Å; H66-L70 PolarHBondContact O-N 1.93Å; L70-Q74 PolarHBondContact O-N 3.06Å; L70-I327 HydrophobicContact CD1-CB 3.78Å; L70-I327 HydrophobicContact CD1-CG1 4.25Å; L70-I327 HydrophobicContact CD1-CG2 3.7Å |
| 71 | G | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W67 C68 H69 E73 Q74 Y75 | W67-G71 PolarHBondContact O-N 3.25Å; C68-G71 PolarHBondContact O-N 2.91Å; H69-G71 VanDerWaalsContact C-N 3.33Å; H69-G71 PolarHBondContact O-N 2.95Å; G71-E73 PolarHBondContact O-N 3.19Å; G71-Q74 PolarHBondContact O-N 3.25Å; G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 WeakPolarHBondContact O-CD2 3.38Å; G71-Y75 PolarHBondContact O-N 3.15Å |
| 72 | H | 95.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 19% | 0.185 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.6 | -52.1 | 176 | 161.2 | -91.3 | 0 | 0 | 0 | 111.8 | F48 C68 H69 Q74 Y75 W76 L111 | F48-H72 HydrophobicContact CE1-CB 4.22Å; F48-H72 HydrophobicContact CZ-CB 3.87Å; C68-H72 WeakPolarHBondContact O-CB 3.06Å; C68-H72 PolarHBondContact O-N 2.86Å; H69-H72 PolarHBondContact O-N 3.3Å; H72-Q74 PolarHBondContact O-N 3.37Å; H72-Y75 PolarHBondContact O-N 3.46Å; H72-W76 HydrophobicContact CB-CE3 4.48Å; H72-W76 AromaticContact CD2-CD2 3.31Å; H72-W76 AromaticContact CD2-CE2 3.52Å; H72-W76 AromaticContact CD2-CE3 3.37Å; H72-W76 AromaticContact CD2-CG 3.88Å; H72-W76 AromaticContact CD2-CH2 3.88Å; H72-W76 AromaticContact CD2-CZ2 3.83Å; H72-W76 AromaticContact CD2-CZ3 3.66Å; H72-W76 AromaticContact NE2-CD1 3.59Å; H72-W76 AromaticContact NE2-CD2 3.43Å; H72-W76 AromaticContact NE2-CE2 3.5Å; H72-W76 AromaticContact NE2-CG 3.53Å; H72-W76 AromaticContact NE2-NE1 3.57Å; H72-W76 WeakPolarHBondContact O-CB 3.24Å; H72-W76 PolarHBondContact O-N 3.4Å; H72-L111 PolarHBondContact CD2-O 3.02Å; H72-L111 PolarHBondContact NE2-O 3.44Å; H72-L111 VanDerWaalsContact NE2-O 3.16Å |
| 73 | E | 95.5 | Very high | 94.2 | Very high | 123 Ų | 123 | 55.9 Ų | 55.9 | 58% | 0.575 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.7 | -47.4 | -177.9 | -75.2 | -179 | 176.7 | 0 | 0 | 112.4 | H69 G71 K77 | H69-E73 WeakPolarHBondContact O-CG 3.25Å; H69-E73 PolarHBondContact O-N 3.08Å; G71-E73 PolarHBondContact O-N 3.19Å; E73-K77 WeakPolarHBondContact O-CB 3.15Å; E73-K77 PolarHBondContact O-N 2.78Å |
| 74 | Q | 96.8 | Very high | 94.9 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 178.5 | 177.3 | 71.7 | -35.4 | 0 | 0 | 111.9 | L70 G71 H72 L78 W323 | L70-Q74 PolarHBondContact O-N 3.06Å; G71-Q74 PolarHBondContact O-N 3.25Å; H72-Q74 PolarHBondContact O-N 3.37Å; Q74-L78 VanDerWaalsContact O-CB 3.25Å; Q74-L78 WeakPolarHBondContact O-CB 3.25Å; Q74-L78 PolarHBondContact O-N 3.26Å; Q74-W323 HydrophobicContact CB-CB 4.4Å; Q74-W323 VanDerWaalsContact CB-CD1 3.42Å; Q74-W323 HydrophobicContact CB-CD2 4.26Å; Q74-W323 HydrophobicContact CB-CG 3.77Å; Q74-W323 HydrophobicContact CG-CB 4.38Å; Q74-W323 HydrophobicContact CG-CD2 3.69Å; Q74-W323 HydrophobicContact CG-CE3 4.3Å; Q74-W323 HydrophobicContact CG-CG 3.67Å; Q74-W323 VanDerWaalsContact NE2-CE2 3.33Å |
| 75 | Y | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.8 | -35.3 | -175.3 | -54.5 | -33.7 | 0 | 0 | 0 | 112.6 | F48 G71 H72 L78 A79 V89 I143 Y148 V319 S322 W323 | F48-Y75 AromaticContact CD2-CD2 3.63Å; F48-Y75 HydrophobicContact CD2-CD2 3.63Å; F48-Y75 AromaticContact CD2-CE2 3.89Å; F48-Y75 HydrophobicContact CD2-CE2 3.89Å; F48-Y75 AromaticContact CE2-CD2 4Å; F48-Y75 HydrophobicContact CE2-CD2 4Å; F48-Y75 HydrophobicContact CE2-CE2 4.12Å; G71-Y75 WeakPolarHBondContact O-CB 3.46Å; G71-Y75 WeakPolarHBondContact O-CD2 3.38Å; G71-Y75 PolarHBondContact O-N 3.15Å; H72-Y75 PolarHBondContact O-N 3.46Å; Y75-L78 PolarHBondContact O-N 3.47Å; Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.44Å; Y75-A79 PolarHBondContact O-N 3.34Å; Y75-V89 VanDerWaalsContact O-CG1 3.28Å; Y75-V89 WeakPolarHBondContact O-CG1 3.41Å; Y75-I143 HydrophobicContact CD1-CD1 4.4Å; Y75-I143 HydrophobicContact CD1-CG1 3.84Å; Y75-I143 HydrophobicContact CD2-CD1 3.43Å; Y75-I143 VanDerWaalsContact CD2-CD1 3.43Å; Y75-I143 HydrophobicContact CD2-CG1 3.81Å; Y75-I143 HydrophobicContact CE1-CG1 4.33Å; Y75-I143 HydrophobicContact CE1-CG2 4.37Å; Y75-I143 HydrophobicContact CE2-CD1 3.99Å; Y75-I143 HydrophobicContact CE2-CG1 4.28Å; Y75-I143 HydrophobicContact CG-CD1 3.67Å; Y75-I143 HydrophobicContact CG-CG1 3.58Å; Y75-Y148 HydrophobicContact CE1-CE1 4.23Å; Y75-Y148 AromaticContact CE1-CZ 3.96Å; Y75-V319 WeakPolarHBondContact CE2-O 3.09Å; Y75-V319 PolarHBondContact OH-O 3.2Å; Y75-S322 PolarHBondContact OH-OG 2.86Å; Y75-W323 HydrophobicContact CE1-CB 4.18Å; Y75-W323 PolarHBondContact OH-N 3.01Å |
| 76 | W | 96.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 172.5 | -93.1 | -122.5 | 0 | 0 | 0 | 111.3 | F48 H72 L78 A79 C80 F91 C112 C141 | F48-W76 HydrophobicContact CD1-CH2 4.09Å; F48-W76 AromaticContact CD1-CZ3 3.96Å; F48-W76 HydrophobicContact CD1-CZ3 3.96Å; F48-W76 HydrophobicContact CE1-CZ3 4.43Å; F48-W76 HydrophobicContact CG-CZ3 4.17Å; H72-W76 HydrophobicContact CB-CE3 4.48Å; H72-W76 AromaticContact CD2-CD2 3.31Å; H72-W76 AromaticContact CD2-CE2 3.52Å; H72-W76 AromaticContact CD2-CE3 3.37Å; H72-W76 AromaticContact CD2-CG 3.88Å; H72-W76 AromaticContact CD2-CH2 3.88Å; H72-W76 AromaticContact CD2-CZ2 3.83Å; H72-W76 AromaticContact CD2-CZ3 3.66Å; H72-W76 AromaticContact NE2-CD1 3.59Å; H72-W76 AromaticContact NE2-CD2 3.43Å; H72-W76 AromaticContact NE2-CE2 3.5Å; H72-W76 AromaticContact NE2-CG 3.53Å; H72-W76 AromaticContact NE2-NE1 3.57Å; H72-W76 WeakPolarHBondContact O-CB 3.24Å; H72-W76 PolarHBondContact O-N 3.4Å; W76-L78 VanDerWaalsContact C-N 3.26Å; W76-L78 PolarHBondContact O-N 2.86Å; W76-A79 PolarHBondContact O-N 3.37Å; W76-C80 WeakPolarHBondContact O-CB 3.46Å; W76-C80 PolarHBondContact O-N 3.05Å; W76-C80 PolarHBondContact O-SG 3.35Å; W76-F91 HydrophobicContact CB-CE1 4.48Å; W76-F91 AromaticContact CD1-CE1 3.55Å; W76-F91 AromaticContact CD2-CE1 3.97Å; W76-F91 HydrophobicContact CD2-CE1 3.97Å; W76-F91 AromaticContact CE2-CE1 3.88Å; W76-F91 AromaticContact CG-CE1 3.77Å; W76-F91 HydrophobicContact CG-CE1 3.77Å; W76-F91 HydrophobicContact CG-CZ 4.3Å; W76-F91 AromaticContact NE1-CE1 3.61Å; W76-C112 HydrophobicContact CZ2-CB 4.41Å; W76-C141 HydrophobicContact CE3-CB 4.17Å; W76-C141 VanDerWaalsContact CE3-SG 3.51Å; W76-C141 HydrophobicContact CH2-CB 4.2Å; W76-C141 HydrophobicContact CZ3-CB 3.75Å |
| 77 | K | 96.8 | Very high | 96 | Very high | 151 Ų | 151 | 57.1 Ų | 57.1 | 66% | 0.657 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56 | -42.1 | 173.2 | 176.5 | -174.6 | 175.4 | -170.8 | 0 | 111.7 | E73 | E73-K77 WeakPolarHBondContact O-CB 3.15Å; E73-K77 PolarHBondContact O-N 2.78Å |
| 78 | L | 97.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.5 | -38.5 | -179.3 | -173.2 | 48.8 | 0 | 0 | 0 | 112.5 | Q74 Y75 W76 C80 S81 D83 S84 A87 V89 Y148 Y151 | Q74-L78 VanDerWaalsContact O-CB 3.25Å; Q74-L78 WeakPolarHBondContact O-CB 3.25Å; Q74-L78 PolarHBondContact O-N 3.26Å; Y75-L78 PolarHBondContact O-N 3.47Å; W76-L78 VanDerWaalsContact C-N 3.26Å; W76-L78 PolarHBondContact O-N 2.86Å; L78-C80 VanDerWaalsContact C-N 3.3Å; L78-C80 PolarHBondContact O-N 2.85Å; L78-S81 WeakPolarHBondContact O-CB 3.47Å; L78-S81 PolarHBondContact O-N 3.06Å; L78-S81 VanDerWaalsContact O-N 3.1Å; L78-S81 PolarHBondContact O-OG 3.42Å; L78-D83 HydrophobicContact CD1-CB 3.81Å; L78-S84 WeakPolarHBondContact O-CB 3.31Å; L78-A87 HydrophobicContact CD1-CB 3.94Å; L78-A87 HydrophobicContact CD2-CB 3.77Å; L78-A87 HydrophobicContact CG-CB 3.88Å; L78-V89 HydrophobicContact CB-CB 4.45Å; L78-V89 HydrophobicContact CB-CG1 4.04Å; L78-V89 HydrophobicContact CD2-CB 4.18Å; L78-V89 HydrophobicContact CD2-CG1 4.42Å; L78-V89 HydrophobicContact CD2-CG2 3.9Å; L78-V89 HydrophobicContact CG-CB 3.95Å; L78-V89 HydrophobicContact CG-CG1 4.09Å; L78-V89 HydrophobicContact CG-CG2 4.23Å; L78-Y148 HydrophobicContact CD2-CD2 4.18Å; L78-Y148 HydrophobicContact CD2-CE2 3.62Å; L78-Y151 HydrophobicContact CD1-CE1 3.97Å; L78-Y151 HydrophobicContact CD1-CE2 4.48Å; L78-Y151 VanDerWaalsContact CD1-OH 3.23Å; L78-Y151 WeakPolarHBondContact CD1-OH 3.43Å; L78-Y151 HydrophobicContact CD2-CD1 4.32Å; L78-Y151 HydrophobicContact CD2-CE1 3.63Å; L78-Y151 HydrophobicContact CG-CE1 4.47Å |
| 79 | A | 96.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -32.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y75 W76 S81 V89 F91 | Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.44Å; Y75-A79 PolarHBondContact O-N 3.34Å; W76-A79 PolarHBondContact O-N 3.37Å; A79-S81 VanDerWaalsContact C-N 3.26Å; A79-S81 PolarHBondContact O-N 2.89Å; A79-V89 WeakPolarHBondContact CA-O 3.29Å; A79-V89 HydrophobicContact CB-CG1 4.16Å; A79-F91 HydrophobicContact CB-CD1 4.27Å; A79-F91 HydrophobicContact CB-CD2 4.23Å; A79-F91 HydrophobicContact CB-CE1 3.86Å; A79-F91 HydrophobicContact CB-CE2 3.83Å; A79-F91 HydrophobicContact CB-CG 4.42Å; A79-F91 HydrophobicContact CB-CZ 3.63Å |
| 80 | C | 96.6 | Very high | 96.5 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 68% | 0.676 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.9 | 173 | -74.2 | 0 | 0 | 0 | 0 | 114.5 | W76 L78 F91 | W76-C80 WeakPolarHBondContact O-CB 3.46Å; W76-C80 PolarHBondContact O-N 3.05Å; W76-C80 PolarHBondContact O-SG 3.35Å; L78-C80 VanDerWaalsContact C-N 3.3Å; L78-C80 PolarHBondContact O-N 2.85Å; C80-F91 VanDerWaalsContact SG-CZ 3.59Å |
| 81 | S | 97.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -109.5 | 160.5 | -172.5 | 80.2 | 0 | 0 | 0 | 0 | 113.5 | L78 A79 D83 S84 | L78-S81 WeakPolarHBondContact O-CB 3.47Å; L78-S81 PolarHBondContact O-N 3.06Å; L78-S81 VanDerWaalsContact O-N 3.1Å; L78-S81 PolarHBondContact O-OG 3.42Å; A79-S81 VanDerWaalsContact C-N 3.26Å; A79-S81 PolarHBondContact O-N 2.89Å; S81-D83 PolarHBondContact O-N 3.39Å; S81-D83 VanDerWaalsContact O-N 3.17Å; S81-D83 PolarHBondContact OG-N 3.28Å; S81-S84 WeakPolarHBondContact O-CB 3.34Å; S81-S84 PolarHBondContact O-N 2.92Å |
| 82 | W | 97 | Very high | 96.6 | Very high | 255 Ų | 255 | 54.9 Ų | 54.9 | 97% | 0.966 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.9 | 171.8 | -61.4 | 106 | 0 | 0 | 0 | 113.4 | S84 | W82-S84 VanDerWaalsContact C-N 3.25Å; W82-S84 PolarHBondContact O-N 3.24Å |
| 83 | D | 96.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -11.8 | 178.6 | -70.4 | 9.5 | 0 | 0 | 0 | 112.6 | L78 S81 S85 E86 A87 Y151 K155 | L78-D83 HydrophobicContact CD1-CB 3.81Å; S81-D83 PolarHBondContact O-N 3.39Å; S81-D83 VanDerWaalsContact O-N 3.17Å; S81-D83 PolarHBondContact OG-N 3.28Å; D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 3.41Å; D83-S85 VanDerWaalsContact O-N 3.15Å; D83-E86 PolarHBondContact O-N 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.13Å; D83-A87 PolarHBondContact O-N 3.36Å; D83-Y151 HydrophobicContact CB-CE2 3.68Å; D83-Y151 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y151 PolarHBondContact OD2-OH 3.16Å; D83-K155 WeakPolarHBondContact OD2-CE 3.32Å; D83-K155 IonicContact OD2-NZ 3.46Å; D83-K155 PolarHBondContact OD2-NZ 3.39Å |
| 84 | S | 97 | Very high | 96.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -44.6 | -48.7 | -177.1 | 163.9 | 0 | 0 | 0 | 0 | 114.1 | L78 S81 W82 G88 V89 | L78-S84 WeakPolarHBondContact O-CB 3.31Å; S81-S84 WeakPolarHBondContact O-CB 3.34Å; S81-S84 PolarHBondContact O-N 2.92Å; W82-S84 VanDerWaalsContact C-N 3.25Å; W82-S84 PolarHBondContact O-N 3.24Å; S84-G88 WeakPolarHBondContact O-CA 3.41Å; S84-G88 PolarHBondContact O-N 2.87Å; S84-V89 WeakPolarHBondContact CA-O 3.3Å; S84-V89 WeakPolarHBondContact CB-O 3.44Å; S84-V89 PolarHBondContact O-N 2.68Å; S84-V89 PolarHBondContact OG-O 3.46Å |
| 85 | S | 94.9 | Very high | 96.6 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.2 | -30.8 | -178.5 | -174.2 | 0 | 0 | 0 | 0 | 113.2 | D83 K241 | D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 PolarHBondContact O-N 3.41Å; D83-S85 VanDerWaalsContact O-N 3.15Å; S85-K241 PolarHBondContact O-NZ 3.36Å |
| 86 | E | 96.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.8 | -39.2 | 173.8 | -177.1 | 171 | -143 | 0 | 0 | 111.2 | D83 G88 Y151 K154 | D83-E86 PolarHBondContact O-N 3.25Å; E86-G88 VanDerWaalsContact C-N 3.31Å; E86-Y151 HydrophobicContact CG-CD2 4.19Å; E86-K154 VanDerWaalsContact OE1-CD 3.24Å; E86-K154 WeakPolarHBondContact OE1-CD 3.31Å; E86-K154 WeakPolarHBondContact OE1-CE 3.47Å; E86-K154 IonicContact OE1-NZ 2.64Å; E86-K154 PolarHBondContact OE1-NZ 3.35Å |
| 87 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.9 | -21.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L78 D83 V89 Y147 Y148 Y151 | L78-A87 HydrophobicContact CD1-CB 3.94Å; L78-A87 HydrophobicContact CD2-CB 3.77Å; L78-A87 HydrophobicContact CG-CB 3.88Å; D83-A87 WeakPolarHBondContact O-CB 3.13Å; D83-A87 PolarHBondContact O-N 3.36Å; A87-V89 HydrophobicContact CB-CB 4.14Å; A87-V89 HydrophobicContact CB-CG2 3.9Å; A87-V89 PolarHBondContact O-N 2.96Å; A87-Y147 CarbonylContact O-C 3.5Å; A87-Y148 HydrophobicContact CB-CD2 4.32Å; A87-Y148 WeakPolarHBondContact O-CA 3.45Å; A87-Y148 WeakPolarHBondContact O-CB 3.18Å; A87-Y148 PolarHBondContact O-N 2.96Å; A87-Y151 HydrophobicContact CB-CD1 3.75Å; A87-Y151 HydrophobicContact CB-CD2 4.03Å; A87-Y151 HydrophobicContact CB-CE1 4.01Å; A87-Y151 HydrophobicContact CB-CE2 4.28Å; A87-Y151 HydrophobicContact CB-CG 3.75Å |
| 88 | G | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 32.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S84 E86 Y90 E144 | S84-G88 WeakPolarHBondContact O-CA 3.41Å; S84-G88 PolarHBondContact O-N 2.87Å; E86-G88 VanDerWaalsContact C-N 3.31Å; G88-Y90 VanDerWaalsContact C-CE1 3.48Å; G88-Y90 VanDerWaalsContact O-CE1 3.23Å; G88-Y90 WeakPolarHBondContact O-CE1 3.25Å; G88-E144 PolarHBondContact O-N 3.15Å |
| 89 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115 | -178.3 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | Y75 L78 A79 S84 A87 I142 I143 Y148 | Y75-V89 VanDerWaalsContact O-CG1 3.28Å; Y75-V89 WeakPolarHBondContact O-CG1 3.41Å; L78-V89 HydrophobicContact CB-CB 4.45Å; L78-V89 HydrophobicContact CB-CG1 4.04Å; L78-V89 HydrophobicContact CD2-CB 4.18Å; L78-V89 HydrophobicContact CD2-CG1 4.42Å; L78-V89 HydrophobicContact CD2-CG2 3.9Å; L78-V89 HydrophobicContact CG-CB 3.95Å; L78-V89 HydrophobicContact CG-CG1 4.09Å; L78-V89 HydrophobicContact CG-CG2 4.23Å; A79-V89 WeakPolarHBondContact CA-O 3.29Å; A79-V89 HydrophobicContact CB-CG1 4.16Å; S84-V89 WeakPolarHBondContact CA-O 3.3Å; S84-V89 WeakPolarHBondContact CB-O 3.44Å; S84-V89 PolarHBondContact O-N 2.68Å; S84-V89 PolarHBondContact OG-O 3.46Å; A87-V89 HydrophobicContact CB-CB 4.14Å; A87-V89 HydrophobicContact CB-CG2 3.9Å; A87-V89 PolarHBondContact O-N 2.96Å; V89-I142 VanDerWaalsContact CA-O 3.3Å; V89-I142 WeakPolarHBondContact CA-O 3.22Å; V89-I143 HydrophobicContact CG1-CG1 4.07Å; V89-I143 HydrophobicContact CG2-CB 4.09Å; V89-I143 HydrophobicContact CG2-CG1 3.96Å; V89-I143 HydrophobicContact CG2-CG2 3.84Å; V89-Y148 HydrophobicContact CG2-CD2 3.75Å; V89-Y148 HydrophobicContact CG2-CE2 4.24Å; V89-Y148 HydrophobicContact CG2-CG 4.42Å |
| 90 | Y | 96 | Very high | 95.7 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 158.5 | -172.3 | 45 | -91.7 | 0 | 0 | 0 | 111.9 | G88 C141 I142 E144 T239 G240 K241 | G88-Y90 VanDerWaalsContact C-CE1 3.48Å; G88-Y90 VanDerWaalsContact O-CE1 3.23Å; G88-Y90 WeakPolarHBondContact O-CE1 3.25Å; Y90-C141 CarbonylContact O-C 3.44Å; Y90-C141 VanDerWaalsContact O-CA 3.27Å; Y90-C141 WeakPolarHBondContact O-CA 3.42Å; Y90-I142 HydrophobicContact CD2-CB 4.2Å; Y90-I142 HydrophobicContact CE1-CG2 4.47Å; Y90-I142 HydrophobicContact CE2-CB 3.61Å; Y90-I142 HydrophobicContact CE2-CG1 4.03Å; Y90-I142 HydrophobicContact CE2-CG2 4Å; Y90-I142 PolarHBondContact N-O 2.84Å; Y90-I142 PolarHBondContact O-N 3.05Å; Y90-I142 WeakPolarHBondContact OH-CG2 3.35Å; Y90-E144 PolarHBondContact OH-OE2 2.84Å; Y90-T239 WeakPolarHBondContact CE2-O 3.47Å; Y90-T239 PolarHBondContact OH-O 3.38Å; Y90-G240 VanDerWaalsContact OH-C 3.23Å; Y90-G240 VanDerWaalsContact OH-CA 3.22Å; Y90-G240 WeakPolarHBondContact OH-CA 3.46Å; Y90-K241 HydrophobicContact CE1-CB 4.2Å; Y90-K241 PolarHBondContact OH-N 3.23Å |
| 91 | F | 95.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 52.6 Ų | 52.6 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 143.5 | 179 | -62.3 | -59.2 | 0 | 0 | 0 | 112.5 | W76 A79 C80 T139 T140 C141 | W76-F91 HydrophobicContact CB-CE1 4.48Å; W76-F91 AromaticContact CD1-CE1 3.55Å; W76-F91 AromaticContact CD2-CE1 3.97Å; W76-F91 HydrophobicContact CD2-CE1 3.97Å; W76-F91 AromaticContact CE2-CE1 3.88Å; W76-F91 AromaticContact CG-CE1 3.77Å; W76-F91 HydrophobicContact CG-CE1 3.77Å; W76-F91 HydrophobicContact CG-CZ 4.3Å; W76-F91 AromaticContact NE1-CE1 3.61Å; A79-F91 HydrophobicContact CB-CD1 4.27Å; A79-F91 HydrophobicContact CB-CD2 4.23Å; A79-F91 HydrophobicContact CB-CE1 3.86Å; A79-F91 HydrophobicContact CB-CE2 3.83Å; A79-F91 HydrophobicContact CB-CG 4.42Å; A79-F91 HydrophobicContact CB-CZ 3.63Å; C80-F91 VanDerWaalsContact SG-CZ 3.59Å; F91-T139 HydrophobicContact CB-CG2 3.98Å; F91-T139 HydrophobicContact CD1-CG2 4.42Å; F91-T139 HydrophobicContact CG-CG2 4.48Å; F91-T140 CarbonylContact C-O 3.59Å; F91-T140 WeakPolarHBondContact CA-O 3.3Å; F91-C141 VanDerWaalsContact CD1-SG 3.52Å |
| 92 | H | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 104.4 | -174 | -169 | 40.3 | 0 | 0 | 0 | 111.1 | T94 T140 I142 G227 Y238 T239 | H92-T94 PolarHBondContact CD2-OG1 3.47Å; H92-T94 VanDerWaalsContact CD2-OG1 3.29Å; H92-T94 PolarHBondContact O-N 3.34Å; H92-T94 PolarHBondContact O-OG1 3.35Å; H92-T140 PolarHBondContact N-O 3.03Å; H92-T140 PolarHBondContact O-N 3.07Å; H92-T140 VanDerWaalsContact O-N 3.07Å; H92-I142 HydrophobicContact CB-CG1 3.81Å; H92-G227 PolarHBondContact CE1-N 3.4Å; H92-G227 WeakPolarHBondContact NE2-CA 3.23Å; H92-G227 PolarHBondContact NE2-N 3.26Å; H92-Y238 WeakPolarHBondContact NE2-CA 3.07Å; H92-Y238 AromaticContact NE2-CD1 3.8Å; H92-T239 PolarHBondContact CE1-N 2.88Å; H92-T239 PolarHBondContact CE1-OG1 2.94Å; H92-T239 PolarHBondContact ND1-OG1 2.93Å; H92-T239 PolarHBondContact NE2-N 3.05Å |
| 93 | P | 95.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 120.7 | 167.3 | -24.1 | 35.9 | 0 | 0 | 0 | 109.6 | Y137 F226 G227 | P93-Y137 HydrophobicContact CB-CE2 3.77Å; P93-Y137 WeakPolarHBondContact CB-OH 3.49Å; P93-F226 HydrophobicContact CB-CB 4.13Å; P93-F226 CarbonylContact O-C 3.25Å; P93-F226 WeakPolarHBondContact O-CA 3.32Å; P93-F226 WeakPolarHBondContact O-CB 3.47Å; P93-G227 PolarHBondContact O-N 2.95Å |
| 94 | T | 96 | Very high | 93 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.2 | -171.2 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | I47 H92 Y137 Y138 G227 | I47-T94 HydrophobicContact CD1-CG2 4.04Å; H92-T94 PolarHBondContact CD2-OG1 3.47Å; H92-T94 VanDerWaalsContact CD2-OG1 3.29Å; H92-T94 PolarHBondContact O-N 3.34Å; H92-T94 PolarHBondContact O-OG1 3.35Å; T94-Y137 WeakPolarHBondContact O-CA 3.29Å; T94-Y138 HydrophobicContact CG2-CE1 3.83Å; T94-Y138 HydrophobicContact CG2-CE2 4.43Å; T94-Y138 PolarHBondContact N-O 3.48Å; T94-Y138 WeakPolarHBondContact O-CD1 3.46Å; T94-Y138 PolarHBondContact O-N 3.06Å; T94-Y138 VanDerWaalsContact O-O 3.11Å; T94-G227 WeakPolarHBondContact CA-O 3.45Å |
| 95 | Y | 95.7 | Very high | 92.3 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.5 | 170 | -58.3 | -84.2 | 0 | 0 | 0 | 111.3 | L118 I126 F128 Y136 Y137 F226 G227 F228 Y229 | Y95-L118 HydrophobicContact CD1-CD1 4.33Å; Y95-L118 HydrophobicContact CD1-CD2 4.15Å; Y95-L118 HydrophobicContact CE1-CD1 4.29Å; Y95-L118 HydrophobicContact CE1-CD2 3.87Å; Y95-I126 HydrophobicContact CE1-CD1 3.79Å; Y95-I126 HydrophobicContact CE2-CG2 4.44Å; Y95-F128 HydrophobicContact CD1-CE2 4.47Å; Y95-F128 HydrophobicContact CD2-CE2 4.04Å; Y95-F128 AromaticContact CD2-CZ 3.83Å; Y95-F128 HydrophobicContact CD2-CZ 3.83Å; Y95-F128 HydrophobicContact CE2-CE2 4.48Å; Y95-F128 HydrophobicContact CE2-CZ 4.5Å; Y95-F128 HydrophobicContact CG-CE2 4.03Å; Y95-F128 HydrophobicContact CG-CZ 4.08Å; Y95-Y136 CarbonylContact C-O 3.49Å; Y95-Y136 WeakPolarHBondContact CA-O 3.28Å; Y95-Y137 HydrophobicContact CD1-CD2 4.06Å; Y95-Y137 AromaticContact CE1-CD2 3.59Å; Y95-Y137 HydrophobicContact CE1-CD2 3.59Å; Y95-Y137 HydrophobicContact CE1-CG 4.2Å; Y95-Y137 HydrophobicContact CE2-CD2 4.42Å; Y95-Y137 AromaticContact CZ-CD2 3.79Å; Y95-F226 HydrophobicContact CD2-CB 4.45Å; Y95-F226 AromaticContact CD2-CD2 3.68Å; Y95-F226 HydrophobicContact CD2-CD2 3.68Å; Y95-F226 HydrophobicContact CD2-CE2 4.21Å; Y95-F226 HydrophobicContact CD2-CG 4.25Å; Y95-F226 HydrophobicContact CE2-CB 4.02Å; Y95-F226 HydrophobicContact CE2-CD1 4.42Å; Y95-F226 AromaticContact CE2-CD2 3.61Å; Y95-F226 HydrophobicContact CE2-CD2 3.61Å; Y95-F226 HydrophobicContact CE2-CE2 4.13Å; Y95-F226 AromaticContact CE2-CG 3.77Å; Y95-F226 HydrophobicContact CE2-CG 3.77Å; Y95-G227 PolarHBondContact N-O 2.93Å; Y95-F228 CarbonylContact O-C 2.75Å; Y95-F228 WeakPolarHBondContact O-CA 3.5Å; Y95-Y229 PolarHBondContact O-N 2.99Å |
| 96 | Q | 94.3 | Very high | 91.9 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.4 | 158.7 | -175.9 | 89.2 | 5.9 | 0 | 0 | 107.8 | A135 Y136 Y138 Y229 | Q96-A135 CarbonylContact O-C 3.58Å; Q96-A135 WeakPolarHBondContact O-CA 3.11Å; Q96-A135 VanDerWaalsContact O-CB 3.3Å; Q96-A135 WeakPolarHBondContact O-CB 3.48Å; Q96-Y136 HydrophobicContact CB-CD1 3.92Å; Q96-Y136 HydrophobicContact CB-CD2 3.91Å; Q96-Y136 HydrophobicContact CB-CE1 3.49Å; Q96-Y136 VanDerWaalsContact CB-CE1 3.49Å; Q96-Y136 HydrophobicContact CB-CE2 3.47Å; Q96-Y136 VanDerWaalsContact CB-CE2 3.47Å; Q96-Y136 HydrophobicContact CB-CG 4.1Å; Q96-Y136 HydrophobicContact CG-CD1 4.28Å; Q96-Y136 HydrophobicContact CG-CE1 3.53Å; Q96-Y136 HydrophobicContact CG-CE2 4.26Å; Q96-Y136 VanDerWaalsContact CG-CZ 3.49Å; Q96-Y136 WeakPolarHBondContact CG-OH 3.49Å; Q96-Y136 PolarHBondContact N-O 2.89Å; Q96-Y136 PolarHBondContact O-N 2.72Å; Q96-Y138 HydrophobicContact CB-CE1 4.43Å; Q96-Y229 CarbonylContact C-O 3.59Å; Q96-Y229 WeakPolarHBondContact CA-O 3.37Å; Q96-Y229 VanDerWaalsContact NE2-CD1 3.33Å |
| 97 | L | 94.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.8 | -177.8 | -47.7 | 178.4 | 0 | 0 | 0 | 111.4 | F128 I132 A135 F228 Y229 F230 G231 T283 | L97-F128 HydrophobicContact CD1-CD1 3.62Å; L97-F128 HydrophobicContact CD1-CE1 3.61Å; L97-F128 HydrophobicContact CD1-CG 4.25Å; L97-F128 HydrophobicContact CD1-CZ 4.21Å; L97-F128 HydrophobicContact CD2-CD1 4.29Å; L97-F128 HydrophobicContact CD2-CD2 4.04Å; L97-F128 HydrophobicContact CD2-CE1 4.15Å; L97-F128 HydrophobicContact CD2-CE2 3.86Å; L97-F128 HydrophobicContact CD2-CG 4.26Å; L97-F128 HydrophobicContact CD2-CZ 3.93Å; L97-F128 HydrophobicContact CG-CE1 4.48Å; L97-I132 HydrophobicContact CB-CD1 4.29Å; L97-I132 HydrophobicContact CB-CG2 3.98Å; L97-I132 HydrophobicContact CD2-CG2 4.3Å; L97-A135 HydrophobicContact CD2-CB 3.76Å; L97-F228 HydrophobicContact CD1-CB 4.04Å; L97-F228 HydrophobicContact CD1-CD2 4.06Å; L97-F228 HydrophobicContact CD1-CG 4.23Å; L97-F228 HydrophobicContact CG-CB 4.32Å; L97-Y229 PolarHBondContact N-O 3.48Å; L97-F230 HydrophobicContact CB-CB 4.17Å; L97-F230 HydrophobicContact CB-CD2 4.1Å; L97-F230 HydrophobicContact CB-CG 4.41Å; L97-F230 HydrophobicContact CD1-CB 4.33Å; L97-G231 PolarHBondContact O-N 3Å; L97-T283 HydrophobicContact CD1-CG2 3.78Å |
| 98 | S | 93.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.9 | 170.4 | -168 | 0 | 0 | 0 | 0 | 113.1 | Y100 E102 K133 S134 | S98-Y100 VanDerWaalsContact C-N 3.28Å; S98-Y100 PolarHBondContact OG-N 2.84Å; S98-E102 WeakPolarHBondContact CB-OE1 3.24Å; S98-E102 PolarHBondContact OG-OE1 3.45Å; S98-K133 PolarHBondContact O-N 3.24Å; S98-S134 PolarHBondContact N-O 2.99Å; S98-S134 PolarHBondContact O-N 3.14Å |
| 99 | E | 92.8 | Very high | 90.6 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -79.6 | -11.7 | 168.8 | -78.1 | 175.5 | 138.7 | 0 | 0 | 113 | H131 K133 F230 R232 | E99-H131 IonicContact OE1-CD2 3.21Å; E99-H131 PolarHBondContact OE1-CD2 3.4Å; E99-H131 VanDerWaalsContact OE1-CD2 3.24Å; E99-H131 IonicContact OE1-CG 2.68Å; E99-K133 WeakPolarHBondContact O-CB 3.32Å; E99-K133 WeakPolarHBondContact O-CG 3.32Å; E99-F230 HydrophobicContact CG-CE2 3.87Å; E99-F230 HydrophobicContact CG-CZ 3.7Å; E99-R232 VanDerWaalsContact CD-NH1 3.34Å; E99-R232 IonicContact OE1-CZ 3.77Å; E99-R232 IonicContact OE1-NH1 2.64Å; E99-R232 PolarHBondContact OE1-NH1 2.9Å; E99-R232 VanDerWaalsContact OE2-CD 3.25Å; E99-R232 WeakPolarHBondContact OE2-CD 3.29Å; E99-R232 WeakPolarHBondContact OE2-CG 3.24Å; E99-R232 IonicContact OE2-CZ 3.83Å; E99-R232 IonicContact OE2-NE 3.92Å; E99-R232 IonicContact OE2-NH1 3.24Å; E99-R232 PolarHBondContact OE2-NH1 3.43Å |
| 100 | Y | 91.5 | Very high | 90.1 | Very high | 164 Ų | 164 | 63.6 Ų | 63.6 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -107.1 | 162.3 | 177.2 | -52.7 | -71.5 | 0 | 0 | 0 | 109.9 | S98 E102 S134 | S98-Y100 VanDerWaalsContact C-N 3.28Å; S98-Y100 PolarHBondContact OG-N 2.84Å; Y100-E102 PolarHBondContact O-N 2.75Å; Y100-S134 WeakPolarHBondContact O-CB 3.27Å; Y100-S134 PolarHBondContact O-OG 3.23Å |
| 101 | Y | 88 | Confident | 89.7 | Confident | 142 Ų | 142 | 62 Ų | 62 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | trans | -79.7 | 100.1 | 171.5 | -64 | -71.4 | 0 | 0 | 0 | 109.8 | F103 E120 K133 | Y101-F103 HydrophobicContact CD1-CE2 4.37Å; Y101-F103 HydrophobicContact CD1-CZ 4.17Å; Y101-F103 HydrophobicContact CG-CE2 4.46Å; Y101-E120 PolarHBondContact OH-OE1 2.85Å; Y101-E120 VanDerWaalsContact OH-OE1 3.11Å; Y101-K133 HydrophobicContact CD1-CB 4.32Å; Y101-K133 VanDerWaalsContact CD1-O 3.3Å; Y101-K133 WeakPolarHBondContact CD1-O 3.47Å; Y101-K133 HydrophobicContact CE1-CB 4.07Å; Y101-K133 WeakPolarHBondContact CE1-O 3.47Å | ||
| 102 | E | 82.3 | Confident | 89.3 | Confident | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | trans | -111 | 109.3 | 179.1 | -72.7 | 178.5 | -127.9 | 0 | 0 | 110.1 | S98 Y100 F117 S134 | S98-E102 WeakPolarHBondContact CB-OE1 3.24Å; S98-E102 PolarHBondContact OG-OE1 3.45Å; Y100-E102 PolarHBondContact O-N 2.75Å; E102-F117 WeakPolarHBondContact O-CE1 3.28Å; E102-S134 PolarHBondContact N-OG 2.88Å | ||
| 103 | F | 78 | Confident | 88.3 | Confident | 131 Ų | 131 | 60.4 Ų | 60.4 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | trans | -116.6 | 5.6 | 179.5 | -57.8 | -62.8 | 0 | 0 | 0 | 113.5 | Y101 F117 | Y101-F103 HydrophobicContact CD1-CE2 4.37Å; Y101-F103 HydrophobicContact CD1-CZ 4.17Å; Y101-F103 HydrophobicContact CG-CE2 4.46Å; F103-F117 HydrophobicContact CD1-CD1 4.09Å; F103-F117 HydrophobicContact CD1-CG 4.48Å | ||
| 104 | D | 82.5 | Confident | 87.7 | Confident | 149 Ų | 149 | 66.7 Ų | 66.7 | 80% | 0.797 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -63.8 | 133.9 | 172.3 | -77.9 | -24.2 | 0 | 0 | 0 | 110.2 | P106 | D104-P106 VanDerWaalsContact O-CD 3.23Å; D104-P106 WeakPolarHBondContact O-CD 3.31Å; D104-P106 VanDerWaalsContact O-N 3.1Å |
| 105 | I | 82.9 | Confident | 87.5 | Confident | 138 Ų | 138 | 67.9 Ų | 67.9 | 71% | 0.708 | 32% | 0.324 | S | S | * | . | trans | -63.3 | 113.8 | 177.6 | -59.5 | 176.5 | 0 | 0 | 0 | 108.6 | ||||
| 106 | P | 85.6 | Confident | 87.3 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | trans | -72.5 | 153.5 | -173 | 31.5 | -37.6 | 0 | 0 | 0 | 111.1 | D104 I108 S109 T115 Y136 | D104-P106 VanDerWaalsContact O-CD 3.23Å; D104-P106 WeakPolarHBondContact O-CD 3.31Å; D104-P106 VanDerWaalsContact O-N 3.1Å; P106-I108 HydrophobicContact CB-CG2 4.15Å; P106-I108 HydrophobicContact CG-CG2 4Å; P106-I108 PolarHBondContact O-N 3.14Å; P106-I108 VanDerWaalsContact O-N 3.08Å; P106-S109 VanDerWaalsContact CD-OG 3.32Å; P106-S109 WeakPolarHBondContact CD-OG 3.43Å; P106-S109 VanDerWaalsContact CG-OG 3.32Å; P106-S109 WeakPolarHBondContact CG-OG 3.31Å; P106-S109 VanDerWaalsContact O-CB 3.3Å; P106-S109 WeakPolarHBondContact O-CB 3.19Å; P106-S109 PolarHBondContact O-N 3.31Å; P106-S109 PolarHBondContact O-OG 3.44Å; P106-T115 HydrophobicContact CG-CG2 4.18Å; P106-Y136 HydrophobicContact CB-CE1 3.72Å; P106-Y136 HydrophobicContact CB-CE2 4.16Å; P106-Y136 VanDerWaalsContact CB-CZ 3.46Å; P106-Y136 VanDerWaalsContact CB-OH 3.27Å; P106-Y136 WeakPolarHBondContact CB-OH 3.42Å; P106-Y136 HydrophobicContact CG-CD1 4.1Å; P106-Y136 HydrophobicContact CG-CD2 4.09Å; P106-Y136 HydrophobicContact CG-CE1 3.63Å; P106-Y136 HydrophobicContact CG-CE2 3.64Å; P106-Y136 HydrophobicContact CG-CG 4.32Å | ||
| 107 | F | 87.6 | Confident | 87.3 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -52 | -37.1 | 178.5 | 177.3 | -97.5 | 0 | 0 | 0 | 112.8 | P50 P52 F64 I65 S109 K110 L111 | P50-F107 HydrophobicContact CB-CE1 4.44Å; P50-F107 HydrophobicContact CG-CE1 4.47Å; P52-F107 VanDerWaalsContact CD-CG 3.49Å; P52-F107 HydrophobicContact CG-CB 4.48Å; P52-F107 HydrophobicContact CG-CD2 3.84Å; P52-F107 HydrophobicContact CG-CE2 4.17Å; P52-F107 HydrophobicContact CG-CG 4.05Å; F64-F107 HydrophobicContact CD1-CZ 4.15Å; F64-F107 AromaticContact CE1-CE1 3.78Å; F64-F107 HydrophobicContact CE1-CE1 3.78Å; F64-F107 HydrophobicContact CE1-CE2 4.42Å; F64-F107 AromaticContact CE1-CZ 3.64Å; F64-F107 HydrophobicContact CE1-CZ 3.64Å; F64-F107 HydrophobicContact CZ-CE1 4.38Å; I65-F107 HydrophobicContact CD1-CE2 4.24Å; I65-F107 HydrophobicContact CG1-CE2 3.79Å; I65-F107 HydrophobicContact CG1-CZ 3.88Å; F107-S109 PolarHBondContact O-N 3.1Å; F107-K110 HydrophobicContact CD2-CD 4.33Å; F107-K110 HydrophobicContact CE2-CD 4.48Å; F107-K110 WeakPolarHBondContact O-CB 3.49Å; F107-K110 PolarHBondContact O-N 3.44Å; F107-L111 HydrophobicContact CD1-CD1 4.2Å; F107-L111 HydrophobicContact CE1-CD1 3.55Å; F107-L111 HydrophobicContact CZ-CD1 4.2Å |
| 108 | I | 88.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -62 | -23 | -179.4 | -156.8 | 61.4 | 0 | 0 | 0 | 113.3 | F48 P50 P106 K110 L111 C112 Y136 Y138 | F48-I108 HydrophobicContact CD1-CD1 4.49Å; P50-I108 HydrophobicContact CG-CD1 4.15Å; P106-I108 HydrophobicContact CB-CG2 4.15Å; P106-I108 HydrophobicContact CG-CG2 4Å; P106-I108 PolarHBondContact O-N 3.14Å; P106-I108 VanDerWaalsContact O-N 3.08Å; I108-K110 PolarHBondContact O-N 3.24Å; I108-L111 PolarHBondContact O-N 3.15Å; I108-L111 VanDerWaalsContact O-N 3.07Å; I108-C112 VanDerWaalsContact CD1-SG 3.54Å; I108-C112 HydrophobicContact CG1-CB 4.15Å; I108-C112 PolarHBondContact O-N 2.71Å; I108-Y136 HydrophobicContact CG2-CE2 3.9Å; I108-Y138 HydrophobicContact CG1-CD2 3.87Å; I108-Y138 HydrophobicContact CG1-CE2 3.61Å; I108-Y138 HydrophobicContact CG2-CD2 4.21Å; I108-Y138 HydrophobicContact CG2-CE2 4.24Å; I108-Y138 HydrophobicContact CG2-CG 4.36Å |
| 109 | S | 87.4 | Confident | 87.2 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 26% | 0.259 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -65.1 | -16.6 | 173 | -55.4 | 0 | 0 | 0 | 0 | 114 | P106 F107 L111 T115 | P106-S109 VanDerWaalsContact CD-OG 3.32Å; P106-S109 WeakPolarHBondContact CD-OG 3.43Å; P106-S109 VanDerWaalsContact CG-OG 3.32Å; P106-S109 WeakPolarHBondContact CG-OG 3.31Å; P106-S109 VanDerWaalsContact O-CB 3.3Å; P106-S109 WeakPolarHBondContact O-CB 3.19Å; P106-S109 PolarHBondContact O-N 3.31Å; P106-S109 PolarHBondContact O-OG 3.44Å; F107-S109 PolarHBondContact O-N 3.1Å; S109-L111 VanDerWaalsContact C-N 3.33Å; S109-T115 WeakPolarHBondContact CB-OG1 3.21Å; S109-T115 WeakPolarHBondContact OG-CB 3.45Å; S109-T115 PolarHBondContact OG-OG1 3.31Å |
| 110 | K | 87 | Confident | 87.3 | Confident | 142 Ų | 142 | 77 Ų | 77 | 62% | 0.617 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -80.2 | -15.7 | 173.7 | -60.6 | -177.2 | 177.8 | -176.4 | 0 | 113.2 | F107 I108 | F107-K110 HydrophobicContact CD2-CD 4.33Å; F107-K110 HydrophobicContact CE2-CD 4.48Å; F107-K110 WeakPolarHBondContact O-CB 3.49Å; F107-K110 PolarHBondContact O-N 3.44Å; I108-K110 PolarHBondContact O-N 3.24Å |
| 111 | L | 88.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -38.6 | -169.6 | -65.8 | 167.4 | 0 | 0 | 0 | 112.6 | F48 P50 C68 H72 F107 I108 S109 | F48-L111 HydrophobicContact CE1-CB 4.25Å; F48-L111 HydrophobicContact CE1-CD1 4.24Å; P50-L111 HydrophobicContact CG-CD1 3.62Å; C68-L111 HydrophobicContact CB-CD1 3.7Å; C68-L111 HydrophobicContact CB-CD2 3.93Å; C68-L111 HydrophobicContact CB-CG 4.5Å; H72-L111 PolarHBondContact CD2-O 3.02Å; H72-L111 PolarHBondContact NE2-O 3.44Å; H72-L111 VanDerWaalsContact NE2-O 3.16Å; F107-L111 HydrophobicContact CD1-CD1 4.2Å; F107-L111 HydrophobicContact CE1-CD1 3.55Å; F107-L111 HydrophobicContact CZ-CD1 4.2Å; I108-L111 PolarHBondContact O-N 3.15Å; I108-L111 VanDerWaalsContact O-N 3.07Å; S109-L111 VanDerWaalsContact C-N 3.33Å |
| 112 | C | 87.3 | Confident | 87.8 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -101.4 | 176.3 | -172.4 | -67.7 | 0 | 0 | 0 | 0 | 113 | W76 I108 Y138 T139 T140 | W76-C112 HydrophobicContact CZ2-CB 4.41Å; I108-C112 VanDerWaalsContact CD1-SG 3.54Å; I108-C112 HydrophobicContact CG1-CB 4.15Å; I108-C112 PolarHBondContact O-N 2.71Å; C112-Y138 HydrophobicContact CB-CD2 4.09Å; C112-T139 WeakPolarHBondContact CB-O 3.18Å; C112-T140 PolarHBondContact SG-OG1 3.21Å; C112-T140 VanDerWaalsContact SG-OG1 3.37Å |
| 113 | G | 73.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 31% | 0.309 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -61.1 | 159.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T115 T139 | G113-T115 PolarHBondContact O-N 2.85Å; G113-T115 VanDerWaalsContact O-N 3.14Å; G113-T139 PolarHBondContact N-O 3.49Å |
| 114 | K | 83.8 | Confident | 89.3 | Confident | 174 Ų | 174 | 66.9 Ų | 66.9 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | trans | -37 | 116.3 | -174.3 | -178.4 | -169.1 | 173.2 | -168.9 | 0 | 112.4 | I116 | K114-I116 HydrophobicContact CD-CG1 4.36Å; K114-I116 HydrophobicContact CG-CG1 4.44Å | ||
| 115 | T | 90.8 | Very high | 89.8 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | trans | -70.7 | 137.1 | 170.3 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | P106 S109 G113 Y136 Y137 | P106-T115 HydrophobicContact CG-CG2 4.18Å; S109-T115 WeakPolarHBondContact CB-OG1 3.21Å; S109-T115 WeakPolarHBondContact OG-CB 3.45Å; S109-T115 PolarHBondContact OG-OG1 3.31Å; G113-T115 PolarHBondContact O-N 2.85Å; G113-T115 VanDerWaalsContact O-N 3.14Å; T115-Y136 HydrophobicContact CG2-CD2 3.63Å; T115-Y136 HydrophobicContact CG2-CE2 4.47Å; T115-Y136 HydrophobicContact CG2-CG 3.84Å; T115-Y137 VanDerWaalsContact CA-O 3.31Å; T115-Y137 WeakPolarHBondContact CA-O 3.22Å | ||
| 116 | I | 93.1 | Very high | 90.4 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 120.8 | 177.5 | -58.5 | 174.1 | 0 | 0 | 0 | 106.4 | K114 L118 Y136 Y137 | K114-I116 HydrophobicContact CD-CG1 4.36Å; K114-I116 HydrophobicContact CG-CG1 4.44Å; I116-L118 WeakPolarHBondContact O-CD1 3.32Å; I116-Y136 CarbonylContact O-C 3.57Å; I116-Y136 WeakPolarHBondContact O-CA 3.31Å; I116-Y136 WeakPolarHBondContact O-CB 3.27Å; I116-Y137 HydrophobicContact CD1-CD1 4.39Å; I116-Y137 PolarHBondContact N-O 2.95Å; I116-Y137 PolarHBondContact O-N 3.42Å |
| 117 | F | 94.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 142.1 | 169.8 | -67.5 | -88.2 | 0 | 0 | 0 | 109.2 | E102 F103 Y136 | E102-F117 WeakPolarHBondContact O-CE1 3.28Å; F103-F117 HydrophobicContact CD1-CD1 4.09Å; F103-F117 HydrophobicContact CD1-CG 4.48Å; F117-Y136 HydrophobicContact CE1-CD1 4.11Å; F117-Y136 HydrophobicContact CE1-CG 4.48Å |
| 118 | L | 94.2 | Very high | 91.2 | Very high | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.1 | 178 | -75.4 | 70.8 | 0 | 0 | 0 | 110.5 | Y95 I116 E122 I123 I126 A135 | Y95-L118 HydrophobicContact CD1-CD1 4.33Å; Y95-L118 HydrophobicContact CD1-CD2 4.15Å; Y95-L118 HydrophobicContact CE1-CD1 4.29Å; Y95-L118 HydrophobicContact CE1-CD2 3.87Å; I116-L118 WeakPolarHBondContact O-CD1 3.32Å; L118-E122 VanDerWaalsContact CA-OE2 3.26Å; L118-E122 WeakPolarHBondContact CA-OE2 3.46Å; L118-E122 HydrophobicContact CB-CB 4.05Å; L118-E122 HydrophobicContact CD2-CB 4.05Å; L118-E122 HydrophobicContact CG-CB 4.12Å; L118-I123 HydrophobicContact CB-CD1 4.27Å; L118-I123 HydrophobicContact CB-CG1 3.79Å; L118-I123 HydrophobicContact CD2-CG1 4.13Å; L118-I126 HydrophobicContact CD2-CD1 3.5Å; L118-A135 HydrophobicContact CB-CB 4.45Å; L118-A135 PolarHBondContact N-O 3.03Å |
| 119 | D | 92.4 | Very high | 91.5 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 172.8 | 162.7 | 70.6 | 45.3 | 0 | 0 | 0 | 112.4 | E121 E122 I123 | D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.92Å; D119-E121 WeakPolarHBondContact OD1-CA 3.36Å; D119-E121 WeakPolarHBondContact OD1-CB 3.49Å; D119-E121 PolarHBondContact OD1-N 3.17Å; D119-E122 PolarHBondContact N-OE2 2.86Å; D119-E122 PolarHBondContact O-N 2.68Å; D119-E122 PolarHBondContact OD1-N 3.39Å; D119-I123 WeakPolarHBondContact O-CD1 3.41Å; D119-I123 WeakPolarHBondContact O-CG1 3.4Å; D119-I123 PolarHBondContact O-N 3.02Å |
| 120 | E | 93.9 | Very high | 91.8 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | -179.1 | -76.8 | -171 | -100.9 | 0 | 0 | 113.3 | Y101 I123 H124 K133 | Y101-E120 PolarHBondContact OH-OE1 2.85Å; Y101-E120 VanDerWaalsContact OH-OE1 3.11Å; E120-I123 PolarHBondContact O-N 3.39Å; E120-H124 VanDerWaalsContact O-CG 3.3Å; E120-H124 PolarHBondContact O-N 2.89Å; E120-H124 PolarHBondContact O-ND1 2.87Å; E120-H124 VanDerWaalsContact O-ND1 3.14Å; E120-H124 IonicContact OE2-CE1 2.82Å; E120-H124 PolarHBondContact OE2-CE1 3.37Å; E120-K133 HydrophobicContact CG-CD 4.5Å; E120-K133 WeakPolarHBondContact OE2-CD 3.29Å; E120-K133 WeakPolarHBondContact OE2-CE 3.25Å; E120-K133 IonicContact OE2-NZ 3.82Å; E120-K133 PolarHBondContact OE2-NZ 2.98Å |
| 121 | E | 94.8 | Very high | 92.1 | Very high | 167 Ų | 167 | 59.7 Ų | 59.7 | 78% | 0.78 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 178.5 | -170.9 | 176.3 | 158.3 | 0 | 0 | 109.9 | D119 S125 | D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.92Å; D119-E121 WeakPolarHBondContact OD1-CA 3.36Å; D119-E121 WeakPolarHBondContact OD1-CB 3.49Å; D119-E121 PolarHBondContact OD1-N 3.17Å; E121-S125 WeakPolarHBondContact O-CB 2.99Å; E121-S125 PolarHBondContact O-N 3.15Å; E121-S125 PolarHBondContact O-OG 3.21Å |
| 122 | E | 95.4 | Very high | 92.4 | Very high | 88 Ų | 88 | 59.3 Ų | 59.3 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 171.6 | -69.8 | -173.7 | 123.6 | 0 | 0 | 111.7 | L118 D119 S125 I126 | L118-E122 VanDerWaalsContact CA-OE2 3.26Å; L118-E122 WeakPolarHBondContact CA-OE2 3.46Å; L118-E122 HydrophobicContact CB-CB 4.05Å; L118-E122 HydrophobicContact CD2-CB 4.05Å; L118-E122 HydrophobicContact CG-CB 4.12Å; D119-E122 PolarHBondContact N-OE2 2.86Å; D119-E122 PolarHBondContact O-N 2.68Å; D119-E122 PolarHBondContact OD1-N 3.39Å; E122-S125 PolarHBondContact O-N 2.98Å; E122-S125 PolarHBondContact O-OG 2.62Å; E122-I126 WeakPolarHBondContact O-CD1 3.12Å; E122-I126 WeakPolarHBondContact O-CG1 3.34Å; E122-I126 PolarHBondContact O-N 3.43Å |
| 123 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -52 | -179.4 | -70.9 | 163.5 | 0 | 0 | 0 | 111.5 | L118 D119 E120 S125 I126 F128 I132 A135 | L118-I123 HydrophobicContact CB-CD1 4.27Å; L118-I123 HydrophobicContact CB-CG1 3.79Å; L118-I123 HydrophobicContact CD2-CG1 4.13Å; D119-I123 WeakPolarHBondContact O-CD1 3.41Å; D119-I123 WeakPolarHBondContact O-CG1 3.4Å; D119-I123 PolarHBondContact O-N 3.02Å; E120-I123 PolarHBondContact O-N 3.39Å; I123-S125 VanDerWaalsContact C-N 3.35Å; I123-I126 PolarHBondContact O-N 2.7Å; I123-F128 HydrophobicContact CG2-CB 3.82Å; I123-F128 HydrophobicContact CG2-CD2 4.17Å; I123-F128 HydrophobicContact CG2-CG 4.43Å; I123-F128 WeakPolarHBondContact O-CD2 3.39Å; I123-F128 PolarHBondContact O-N 3Å; I123-I132 HydrophobicContact CG2-CB 4.01Å; I123-I132 HydrophobicContact CG2-CG2 3.75Å; I123-A135 HydrophobicContact CD1-CB 3.77Å; I123-A135 HydrophobicContact CG1-CB 3.72Å |
| 124 | H | 95.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.9 | -28.1 | -176.8 | -54.1 | 141.1 | 0 | 0 | 0 | 111.5 | E120 I126 G127 I132 | E120-H124 VanDerWaalsContact O-CG 3.3Å; E120-H124 PolarHBondContact O-N 2.89Å; E120-H124 PolarHBondContact O-ND1 2.87Å; E120-H124 VanDerWaalsContact O-ND1 3.14Å; E120-H124 IonicContact OE2-CE1 2.82Å; E120-H124 PolarHBondContact OE2-CE1 3.37Å; H124-I126 VanDerWaalsContact C-N 3.28Å; H124-I126 PolarHBondContact O-N 3.2Å; H124-G127 WeakPolarHBondContact O-CA 2.96Å; H124-G127 PolarHBondContact O-N 3.18Å; H124-I132 PolarHBondContact NE2-O 2.94Å |
| 125 | S | 94.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64 | -28.6 | 173.2 | 79.4 | 0 | 0 | 0 | 0 | 113.9 | E121 E122 I123 G127 | E121-S125 WeakPolarHBondContact O-CB 2.99Å; E121-S125 PolarHBondContact O-N 3.15Å; E121-S125 PolarHBondContact O-OG 3.21Å; E122-S125 PolarHBondContact O-N 2.98Å; E122-S125 PolarHBondContact O-OG 2.62Å; I123-S125 VanDerWaalsContact C-N 3.35Å; S125-G127 PolarHBondContact O-N 2.92Å |
| 126 | I | 94.2 | Very high | 94.4 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.205 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.4 | 173.7 | -65 | 158.2 | 0 | 0 | 0 | 111.3 | Y95 L118 E122 I123 H124 F128 F226 W284 | Y95-I126 HydrophobicContact CE1-CD1 3.79Å; Y95-I126 HydrophobicContact CE2-CG2 4.44Å; L118-I126 HydrophobicContact CD2-CD1 3.5Å; E122-I126 WeakPolarHBondContact O-CD1 3.12Å; E122-I126 WeakPolarHBondContact O-CG1 3.34Å; E122-I126 PolarHBondContact O-N 3.43Å; I123-I126 PolarHBondContact O-N 2.7Å; H124-I126 VanDerWaalsContact C-N 3.28Å; H124-I126 PolarHBondContact O-N 3.2Å; I126-F128 HydrophobicContact CB-CD2 3.98Å; I126-F128 HydrophobicContact CB-CE2 4Å; I126-F128 HydrophobicContact CD1-CE2 4.34Å; I126-F128 HydrophobicContact CG2-CD2 3.86Å; I126-F128 HydrophobicContact CG2-CE2 3.44Å; I126-F128 VanDerWaalsContact CG2-CE2 3.44Å; I126-F128 HydrophobicContact CG2-CZ 3.98Å; I126-F226 HydrophobicContact CG2-CE1 4.4Å; I126-F226 HydrophobicContact CG2-CE2 4.27Å; I126-F226 HydrophobicContact CG2-CZ 3.84Å; I126-W284 PolarHBondContact O-NE1 2.73Å |
| 127 | G | 94 | Very high | 94.5 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 15.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H124 S125 W284 Y285 | H124-G127 WeakPolarHBondContact O-CA 2.96Å; H124-G127 PolarHBondContact O-N 3.18Å; S125-G127 PolarHBondContact O-N 2.92Å; G127-W284 WeakPolarHBondContact O-CA 3.34Å; G127-W284 VanDerWaalsContact O-CD1 3.25Å; G127-Y285 PolarHBondContact O-N 3.35Å |
| 128 | F | 96 | Very high | 94.5 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 148.9 | 168.3 | -63.8 | -59.1 | 0 | 0 | 0 | 110.7 | Y95 L97 I123 I126 I132 F226 F228 T283 W284 | Y95-F128 HydrophobicContact CD1-CE2 4.47Å; Y95-F128 HydrophobicContact CD2-CE2 4.04Å; Y95-F128 AromaticContact CD2-CZ 3.83Å; Y95-F128 HydrophobicContact CD2-CZ 3.83Å; Y95-F128 HydrophobicContact CE2-CE2 4.48Å; Y95-F128 HydrophobicContact CE2-CZ 4.5Å; Y95-F128 HydrophobicContact CG-CE2 4.03Å; Y95-F128 HydrophobicContact CG-CZ 4.08Å; L97-F128 HydrophobicContact CD1-CD1 3.62Å; L97-F128 HydrophobicContact CD1-CE1 3.61Å; L97-F128 HydrophobicContact CD1-CG 4.25Å; L97-F128 HydrophobicContact CD1-CZ 4.21Å; L97-F128 HydrophobicContact CD2-CD1 4.29Å; L97-F128 HydrophobicContact CD2-CD2 4.04Å; L97-F128 HydrophobicContact CD2-CE1 4.15Å; L97-F128 HydrophobicContact CD2-CE2 3.86Å; L97-F128 HydrophobicContact CD2-CG 4.26Å; L97-F128 HydrophobicContact CD2-CZ 3.93Å; L97-F128 HydrophobicContact CG-CE1 4.48Å; I123-F128 HydrophobicContact CG2-CB 3.82Å; I123-F128 HydrophobicContact CG2-CD2 4.17Å; I123-F128 HydrophobicContact CG2-CG 4.43Å; I123-F128 WeakPolarHBondContact O-CD2 3.39Å; I123-F128 PolarHBondContact O-N 3Å; I126-F128 HydrophobicContact CB-CD2 3.98Å; I126-F128 HydrophobicContact CB-CE2 4Å; I126-F128 HydrophobicContact CD1-CE2 4.34Å; I126-F128 HydrophobicContact CG2-CD2 3.86Å; I126-F128 HydrophobicContact CG2-CE2 3.44Å; I126-F128 VanDerWaalsContact CG2-CE2 3.44Å; I126-F128 HydrophobicContact CG2-CZ 3.98Å; F128-I132 HydrophobicContact CB-CG1 4.38Å; F128-F226 HydrophobicContact CE1-CE2 4.48Å; F128-F226 AromaticContact CZ-CE2 3.99Å; F128-F226 HydrophobicContact CZ-CE2 3.99Å; F128-F228 HydrophobicContact CE1-CB 4.05Å; F128-F228 AromaticContact CE1-CD1 3.71Å; F128-F228 HydrophobicContact CE1-CD1 3.71Å; F128-F228 HydrophobicContact CE1-CE1 4.22Å; F128-F228 AromaticContact CE1-CG 3.89Å; F128-F228 HydrophobicContact CE1-CG 3.89Å; F128-F228 HydrophobicContact CZ-CB 4.14Å; F128-F228 HydrophobicContact CZ-CD1 4.26Å; F128-F228 HydrophobicContact CZ-CG 4.42Å; F128-T283 WeakPolarHBondContact CA-O 3.43Å; F128-W284 HydrophobicContact CD1-CB 3.95Å; F128-W284 AromaticContact CD1-CD1 3.52Å; F128-W284 HydrophobicContact CD1-CG 4.07Å; F128-W284 HydrophobicContact CE1-CB 4.16Å; F128-W284 AromaticContact CE1-CD1 3.63Å; F128-W284 HydrophobicContact CE1-CG 4.08Å |
| 129 | A | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -67.9 | 151 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H131 I132 N282 T283 Y285 | A129-H131 VanDerWaalsContact CB-CE1 3.41Å; A129-H131 WeakPolarHBondContact CB-CE1 3.15Å; A129-H131 WeakPolarHBondContact CB-ND1 3.46Å; A129-H131 PolarHBondContact O-N 2.99Å; A129-I132 WeakPolarHBondContact O-CB 3.44Å; A129-I132 PolarHBondContact O-N 3.45Å; A129-N282 VanDerWaalsContact CB-O 3.25Å; A129-N282 WeakPolarHBondContact CB-O 3.49Å; A129-T283 PolarHBondContact N-O 3.13Å; A129-Y285 HydrophobicContact CB-CE1 4.23Å; A129-Y285 HydrophobicContact CB-CE2 4.07Å; A129-Y285 VanDerWaalsContact CB-OH 3.3Å; A129-Y285 WeakPolarHBondContact CB-OH 2.98Å | ||
| 130 | E | 93.9 | Very high | 94.7 | Very high | 151 Ų | 151 | 44.9 Ų | 44.9 | 71% | 0.706 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19.5 | -175.2 | -60.8 | -179.1 | 169.7 | 0 | 0 | 114.9 | K133 | E130-K133 WeakPolarHBondContact O-CE 3.36Å; E130-K133 PolarHBondContact O-NZ 2.82Å |
| 131 | H | 93.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.5 | 177.7 | 65.2 | -95.6 | 0 | 0 | 0 | 113.6 | E99 A129 K133 F230 N282 | E99-H131 IonicContact OE1-CD2 3.21Å; E99-H131 PolarHBondContact OE1-CD2 3.4Å; E99-H131 VanDerWaalsContact OE1-CD2 3.24Å; E99-H131 IonicContact OE1-CG 2.68Å; A129-H131 VanDerWaalsContact CB-CE1 3.41Å; A129-H131 WeakPolarHBondContact CB-CE1 3.15Å; A129-H131 WeakPolarHBondContact CB-ND1 3.46Å; A129-H131 PolarHBondContact O-N 2.99Å; H131-K133 PolarHBondContact O-N 3.33Å; H131-F230 AromaticContact CD2-CZ 3.98Å; H131-F230 AromaticContact NE2-CE1 3.74Å; H131-F230 AromaticContact NE2-CZ 3.86Å; H131-N282 PolarHBondContact CE1-O 2.76Å |
| 132 | I | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -73.3 | 121.9 | 171.4 | -53.1 | -56.5 | 0 | 0 | 0 | 108.3 | L97 I123 H124 F128 A129 F230 | L97-I132 HydrophobicContact CB-CD1 4.29Å; L97-I132 HydrophobicContact CB-CG2 3.98Å; L97-I132 HydrophobicContact CD2-CG2 4.3Å; I123-I132 HydrophobicContact CG2-CB 4.01Å; I123-I132 HydrophobicContact CG2-CG2 3.75Å; H124-I132 PolarHBondContact NE2-O 2.94Å; F128-I132 HydrophobicContact CB-CG1 4.38Å; A129-I132 WeakPolarHBondContact O-CB 3.44Å; A129-I132 PolarHBondContact O-N 3.45Å; I132-F230 HydrophobicContact CD1-CD1 4.29Å; I132-F230 HydrophobicContact CD1-CD2 3.87Å; I132-F230 HydrophobicContact CD1-CE1 3.98Å; I132-F230 HydrophobicContact CD1-CE2 3.55Å; I132-F230 HydrophobicContact CD1-CG 4.25Å; I132-F230 HydrophobicContact CD1-CZ 3.6Å | ||
| 133 | K | 93.8 | Very high | 95 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | trans | -114.9 | -17.3 | -172.8 | -63.7 | -49 | -174.4 | -164.7 | 0 | 114.9 | S98 E99 Y101 E120 E130 H131 | S98-K133 PolarHBondContact O-N 3.24Å; E99-K133 WeakPolarHBondContact O-CB 3.32Å; E99-K133 WeakPolarHBondContact O-CG 3.32Å; Y101-K133 HydrophobicContact CD1-CB 4.32Å; Y101-K133 VanDerWaalsContact CD1-O 3.3Å; Y101-K133 WeakPolarHBondContact CD1-O 3.47Å; Y101-K133 HydrophobicContact CE1-CB 4.07Å; Y101-K133 WeakPolarHBondContact CE1-O 3.47Å; E120-K133 HydrophobicContact CG-CD 4.5Å; E120-K133 WeakPolarHBondContact OE2-CD 3.29Å; E120-K133 WeakPolarHBondContact OE2-CE 3.25Å; E120-K133 IonicContact OE2-NZ 3.82Å; E120-K133 PolarHBondContact OE2-NZ 2.98Å; E130-K133 WeakPolarHBondContact O-CE 3.36Å; E130-K133 PolarHBondContact O-NZ 2.82Å; H131-K133 PolarHBondContact O-N 3.33Å | ||
| 134 | S | 94.3 | Very high | 95 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.6 | 163.2 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | S98 Y100 E102 | S98-S134 PolarHBondContact N-O 2.99Å; S98-S134 PolarHBondContact O-N 3.14Å; Y100-S134 WeakPolarHBondContact O-CB 3.27Å; Y100-S134 PolarHBondContact O-OG 3.23Å; E102-S134 PolarHBondContact N-OG 2.88Å |
| 135 | A | 95.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q96 L97 L118 I123 | Q96-A135 CarbonylContact O-C 3.58Å; Q96-A135 WeakPolarHBondContact O-CA 3.11Å; Q96-A135 VanDerWaalsContact O-CB 3.3Å; Q96-A135 WeakPolarHBondContact O-CB 3.48Å; L97-A135 HydrophobicContact CD2-CB 3.76Å; L118-A135 HydrophobicContact CB-CB 4.45Å; L118-A135 PolarHBondContact N-O 3.03Å; I123-A135 HydrophobicContact CD1-CB 3.77Å; I123-A135 HydrophobicContact CG1-CB 3.72Å |
| 136 | Y | 94.7 | Very high | 94.7 | Very high | 24 Ų | 24 | 24.1 Ų | 24.1 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.7 | 161.4 | 65.2 | -103.6 | 0 | 0 | 0 | 111.6 | Y95 Q96 P106 I108 T115 I116 F117 Y138 | Y95-Y136 CarbonylContact C-O 3.49Å; Y95-Y136 WeakPolarHBondContact CA-O 3.28Å; Q96-Y136 HydrophobicContact CB-CD1 3.92Å; Q96-Y136 HydrophobicContact CB-CD2 3.91Å; Q96-Y136 HydrophobicContact CB-CE1 3.49Å; Q96-Y136 VanDerWaalsContact CB-CE1 3.49Å; Q96-Y136 HydrophobicContact CB-CE2 3.47Å; Q96-Y136 VanDerWaalsContact CB-CE2 3.47Å; Q96-Y136 HydrophobicContact CB-CG 4.1Å; Q96-Y136 HydrophobicContact CG-CD1 4.28Å; Q96-Y136 HydrophobicContact CG-CE1 3.53Å; Q96-Y136 HydrophobicContact CG-CE2 4.26Å; Q96-Y136 VanDerWaalsContact CG-CZ 3.49Å; Q96-Y136 WeakPolarHBondContact CG-OH 3.49Å; Q96-Y136 PolarHBondContact N-O 2.89Å; Q96-Y136 PolarHBondContact O-N 2.72Å; P106-Y136 HydrophobicContact CB-CE1 3.72Å; P106-Y136 HydrophobicContact CB-CE2 4.16Å; P106-Y136 VanDerWaalsContact CB-CZ 3.46Å; P106-Y136 VanDerWaalsContact CB-OH 3.27Å; P106-Y136 WeakPolarHBondContact CB-OH 3.42Å; P106-Y136 HydrophobicContact CG-CD1 4.1Å; P106-Y136 HydrophobicContact CG-CD2 4.09Å; P106-Y136 HydrophobicContact CG-CE1 3.63Å; P106-Y136 HydrophobicContact CG-CE2 3.64Å; P106-Y136 HydrophobicContact CG-CG 4.32Å; I108-Y136 HydrophobicContact CG2-CE2 3.9Å; T115-Y136 HydrophobicContact CG2-CD2 3.63Å; T115-Y136 HydrophobicContact CG2-CE2 4.47Å; T115-Y136 HydrophobicContact CG2-CG 3.84Å; I116-Y136 CarbonylContact O-C 3.57Å; I116-Y136 WeakPolarHBondContact O-CA 3.31Å; I116-Y136 WeakPolarHBondContact O-CB 3.27Å; F117-Y136 HydrophobicContact CE1-CD1 4.11Å; F117-Y136 HydrophobicContact CE1-CG 4.48Å; Y136-Y138 AromaticContact CD2-CD1 3.72Å; Y136-Y138 HydrophobicContact CD2-CD1 3.72Å; Y136-Y138 HydrophobicContact CD2-CE1 4.2Å; Y136-Y138 AromaticContact CE2-CD1 3.57Å; Y136-Y138 HydrophobicContact CE2-CD1 3.57Å; Y136-Y138 AromaticContact CE2-CE1 3.67Å; Y136-Y138 HydrophobicContact CE2-CE1 3.67Å; Y136-Y138 HydrophobicContact CE2-CG 4.47Å |
| 137 | Y | 94.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 24.5 Ų | 24.5 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 142.6 | 170.9 | 174.7 | -89.6 | 0 | 0 | 0 | 111 | P93 T94 Y95 T115 I116 T139 | P93-Y137 HydrophobicContact CB-CE2 3.77Å; P93-Y137 WeakPolarHBondContact CB-OH 3.49Å; T94-Y137 WeakPolarHBondContact O-CA 3.29Å; Y95-Y137 HydrophobicContact CD1-CD2 4.06Å; Y95-Y137 AromaticContact CE1-CD2 3.59Å; Y95-Y137 HydrophobicContact CE1-CD2 3.59Å; Y95-Y137 HydrophobicContact CE1-CG 4.2Å; Y95-Y137 HydrophobicContact CE2-CD2 4.42Å; Y95-Y137 AromaticContact CZ-CD2 3.79Å; T115-Y137 VanDerWaalsContact CA-O 3.31Å; T115-Y137 WeakPolarHBondContact CA-O 3.22Å; I116-Y137 HydrophobicContact CD1-CD1 4.39Å; I116-Y137 PolarHBondContact N-O 2.95Å; I116-Y137 PolarHBondContact O-N 3.42Å; Y137-T139 PolarHBondContact OH-OG1 3.3Å |
| 138 | Y | 95.2 | Very high | 95 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.8 | 166.8 | 62.3 | -71.3 | 0 | 0 | 0 | 110.6 | R49 T94 Q96 I108 C112 Y136 T140 | R49-Y138 VanDerWaalsContact CD-OH 3.27Å; R49-Y138 WeakPolarHBondContact CD-OH 3.49Å; R49-Y138 WeakPolarHBondContact CG-OH 3.34Å; T94-Y138 HydrophobicContact CG2-CE1 3.83Å; T94-Y138 HydrophobicContact CG2-CE2 4.43Å; T94-Y138 PolarHBondContact N-O 3.48Å; T94-Y138 WeakPolarHBondContact O-CD1 3.46Å; T94-Y138 PolarHBondContact O-N 3.06Å; T94-Y138 VanDerWaalsContact O-O 3.11Å; Q96-Y138 HydrophobicContact CB-CE1 4.43Å; I108-Y138 HydrophobicContact CG1-CD2 3.87Å; I108-Y138 HydrophobicContact CG1-CE2 3.61Å; I108-Y138 HydrophobicContact CG2-CD2 4.21Å; I108-Y138 HydrophobicContact CG2-CE2 4.24Å; I108-Y138 HydrophobicContact CG2-CG 4.36Å; C112-Y138 HydrophobicContact CB-CD2 4.09Å; Y136-Y138 AromaticContact CD2-CD1 3.72Å; Y136-Y138 HydrophobicContact CD2-CD1 3.72Å; Y136-Y138 HydrophobicContact CD2-CE1 4.2Å; Y136-Y138 AromaticContact CE2-CD1 3.57Å; Y136-Y138 HydrophobicContact CE2-CD1 3.57Å; Y136-Y138 AromaticContact CE2-CE1 3.67Å; Y136-Y138 HydrophobicContact CE2-CE1 3.67Å; Y136-Y138 HydrophobicContact CE2-CG 4.47Å; Y138-T140 HydrophobicContact CD2-CG2 4.35Å; Y138-T140 HydrophobicContact CE2-CG2 3.82Å |
| 139 | T | 95.3 | Very high | 95 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 26% | 0.258 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.4 | 168.6 | -54.4 | 0 | 0 | 0 | 0 | 109 | F91 C112 G113 Y137 | F91-T139 HydrophobicContact CB-CG2 3.98Å; F91-T139 HydrophobicContact CD1-CG2 4.42Å; F91-T139 HydrophobicContact CG-CG2 4.48Å; C112-T139 WeakPolarHBondContact CB-O 3.18Å; G113-T139 PolarHBondContact N-O 3.49Å; Y137-T139 PolarHBondContact OH-OG1 3.3Å |
| 140 | T | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | -165 | 171.8 | -169 | 0 | 0 | 0 | 0 | 110.9 | I47 F48 F91 H92 C112 Y138 | I47-T140 HydrophobicContact CD1-CG2 3.87Å; I47-T140 HydrophobicContact CG1-CG2 3.84Å; F48-T140 PolarHBondContact O-OG1 3.04Å; F91-T140 CarbonylContact C-O 3.59Å; F91-T140 WeakPolarHBondContact CA-O 3.3Å; H92-T140 PolarHBondContact N-O 3.03Å; H92-T140 PolarHBondContact O-N 3.07Å; H92-T140 VanDerWaalsContact O-N 3.07Å; C112-T140 PolarHBondContact SG-OG1 3.21Å; C112-T140 VanDerWaalsContact SG-OG1 3.37Å; Y138-T140 HydrophobicContact CD2-CG2 4.35Å; Y138-T140 HydrophobicContact CE2-CG2 3.82Å |
| 141 | C | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.6 | 167.9 | -77.7 | 0 | 0 | 0 | 0 | 112.2 | F48 W76 Y90 F91 I143 | F48-C141 WeakPolarHBondContact CB-O 3.15Å; F48-C141 PolarHBondContact N-O 3.36Å; W76-C141 HydrophobicContact CE3-CB 4.17Å; W76-C141 VanDerWaalsContact CE3-SG 3.51Å; W76-C141 HydrophobicContact CH2-CB 4.2Å; W76-C141 HydrophobicContact CZ3-CB 3.75Å; Y90-C141 CarbonylContact O-C 3.44Å; Y90-C141 VanDerWaalsContact O-CA 3.27Å; Y90-C141 WeakPolarHBondContact O-CA 3.42Å; F91-C141 VanDerWaalsContact CD1-SG 3.52Å; C141-I143 HydrophobicContact CB-CD1 3.89Å |
| 142 | I | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 139.1 | 150.4 | -63.7 | -64.5 | 0 | 0 | 0 | 107.6 | I47 V89 Y90 H92 E144 Y238 | I47-I142 HydrophobicContact CB-CD1 3.75Å; I47-I142 HydrophobicContact CG1-CD1 4.12Å; V89-I142 VanDerWaalsContact CA-O 3.3Å; V89-I142 WeakPolarHBondContact CA-O 3.22Å; Y90-I142 HydrophobicContact CD2-CB 4.2Å; Y90-I142 HydrophobicContact CE1-CG2 4.47Å; Y90-I142 HydrophobicContact CE2-CB 3.61Å; Y90-I142 HydrophobicContact CE2-CG1 4.03Å; Y90-I142 HydrophobicContact CE2-CG2 4Å; Y90-I142 PolarHBondContact N-O 2.84Å; Y90-I142 PolarHBondContact O-N 3.05Å; Y90-I142 WeakPolarHBondContact OH-CG2 3.35Å; H92-I142 HydrophobicContact CB-CG1 3.81Å; I142-E144 HydrophobicContact CG2-CB 3.98Å; I142-Y238 HydrophobicContact CD1-CG 4.47Å |
| 143 | I | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 85.2 | 170.2 | -61.5 | 97.6 | 0 | 0 | 0 | 105.3 | G46 F48 Y75 V89 C141 P145 Y148 V319 | G46-I143 VanDerWaalsContact CA-O 3.26Å; G46-I143 WeakPolarHBondContact CA-O 3.36Å; G46-I143 PolarHBondContact O-N 3.49Å; F48-I143 HydrophobicContact CB-CD1 3.86Å; F48-I143 HydrophobicContact CD2-CD1 4.43Å; Y75-I143 HydrophobicContact CD1-CD1 4.4Å; Y75-I143 HydrophobicContact CD1-CG1 3.84Å; Y75-I143 HydrophobicContact CD2-CD1 3.43Å; Y75-I143 VanDerWaalsContact CD2-CD1 3.43Å; Y75-I143 HydrophobicContact CD2-CG1 3.81Å; Y75-I143 HydrophobicContact CE1-CG1 4.33Å; Y75-I143 HydrophobicContact CE1-CG2 4.37Å; Y75-I143 HydrophobicContact CE2-CD1 3.99Å; Y75-I143 HydrophobicContact CE2-CG1 4.28Å; Y75-I143 HydrophobicContact CG-CD1 3.67Å; Y75-I143 HydrophobicContact CG-CG1 3.58Å; V89-I143 HydrophobicContact CG1-CG1 4.07Å; V89-I143 HydrophobicContact CG2-CB 4.09Å; V89-I143 HydrophobicContact CG2-CG1 3.96Å; V89-I143 HydrophobicContact CG2-CG2 3.84Å; C141-I143 HydrophobicContact CB-CD1 3.89Å; I143-P145 WeakPolarHBondContact O-CD 3.37Å; I143-Y148 HydrophobicContact CG2-CD1 3.66Å; I143-Y148 HydrophobicContact CG2-CD2 4.18Å; I143-Y148 HydrophobicContact CG2-CE1 4.13Å; I143-Y148 HydrophobicContact CG2-CG 3.68Å; I143-V319 HydrophobicContact CB-CG1 3.48Å; I143-V319 VanDerWaalsContact CB-CG1 3.48Å; I143-V319 HydrophobicContact CD1-CG1 4.46Å; I143-V319 HydrophobicContact CG1-CG1 4.45Å; I143-V319 HydrophobicContact CG2-CG1 3.58Å; I143-V319 WeakPolarHBondContact O-CG1 3.47Å |
| 144 | E | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | trans | -74.3 | 109.2 | -170.1 | -178.1 | 157.6 | -158.7 | 0 | 0 | 110.6 | G88 Y90 I142 R146 Y147 Y148 R218 G240 K241 | G88-E144 PolarHBondContact O-N 3.15Å; Y90-E144 PolarHBondContact OH-OE2 2.84Å; I142-E144 HydrophobicContact CG2-CB 3.98Å; E144-R146 HydrophobicContact CG-CB 4.49Å; E144-R146 PolarHBondContact O-N 3.12Å; E144-Y147 HydrophobicContact CB-CD2 3.95Å; E144-Y147 HydrophobicContact CB-CE2 4.41Å; E144-Y147 HydrophobicContact CG-CD2 3.75Å; E144-Y147 HydrophobicContact CG-CE2 3.85Å; E144-Y147 PolarHBondContact O-N 2.85Å; E144-Y147 WeakPolarHBondContact OE2-CE2 3.33Å; E144-Y148 PolarHBondContact O-N 3.4Å; E144-Y148 VanDerWaalsContact O-N 3.08Å; E144-R218 IonicContact OE1-CZ 3.3Å; E144-R218 IonicContact OE1-NH1 1.93Å; E144-R218 PolarHBondContact OE1-NH1 3.45Å; E144-R218 IonicContact OE1-NH2 2.95Å; E144-R218 PolarHBondContact OE1-NH2 3.12Å; E144-G240 WeakPolarHBondContact OE2-CA 3.33Å; E144-K241 WeakPolarHBondContact OE2-CB 3.5Å; E144-K241 PolarHBondContact OE2-N 2.98Å | ||
| 145 | P | 93.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.5 | -23.5 | -160.6 | -28.2 | 40.5 | 0 | 0 | 0 | 114.3 | I10 S41 I143 Y147 Y148 M149 W296 V319 | I10-P145 HydrophobicContact CD1-CB 4.47Å; S41-P145 WeakPolarHBondContact O-CB 3.15Å; I143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-Y147 PolarHBondContact O-N 3.24Å; P145-Y148 PolarHBondContact O-N 3.25Å; P145-M149 WeakPolarHBondContact O-CB 3.47Å; P145-M149 WeakPolarHBondContact O-CG 3.35Å; P145-M149 PolarHBondContact O-N 3.28Å; P145-W296 HydrophobicContact CB-CH2 4.22Å; P145-W296 HydrophobicContact CB-CZ3 3.93Å; P145-W296 HydrophobicContact CG-CH2 3.9Å; P145-W296 HydrophobicContact CG-CZ3 3.68Å; P145-V319 HydrophobicContact CG-CG2 3.67Å |
| 146 | R | 91.8 | Very high | 95.3 | Very high | 35 Ų | 35 | 23.1 Ų | 23.1 | 13% | 0.132 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | 176.4 | -55.9 | -169 | 167.8 | -169.6 | -4.3 | 113 | Y42 E144 N150 | Y42-R146 HydrophobicContact CD1-CG 4.33Å; Y42-R146 HydrophobicContact CD2-CB 4.1Å; Y42-R146 HydrophobicContact CD2-CG 3.77Å; Y42-R146 HydrophobicContact CE1-CG 4.13Å; Y42-R146 HydrophobicContact CE2-CB 3.58Å; Y42-R146 HydrophobicContact CE2-CG 3.53Å; Y42-R146 HydrophobicContact CG-CG 4.15Å; Y42-R146 VanDerWaalsContact O-CG 3.31Å; Y42-R146 WeakPolarHBondContact O-CG 3.49Å; Y42-R146 PolarHBondContact O-NE 2.98Å; Y42-R146 PolarHBondContact O-NH2 3.39Å; E144-R146 HydrophobicContact CG-CB 4.49Å; E144-R146 PolarHBondContact O-N 3.12Å; R146-N150 PolarHBondContact O-ND2 3.5Å |
| 147 | Y | 96.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 25.3 Ų | 25.3 | 18% | 0.184 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -95.3 | -42 | 175.3 | -51.2 | -80 | 0 | 0 | 0 | 110 | A87 E144 P145 M149 N150 Y151 K241 E242 | A87-Y147 CarbonylContact O-C 3.5Å; E144-Y147 HydrophobicContact CB-CD2 3.95Å; E144-Y147 HydrophobicContact CB-CE2 4.41Å; E144-Y147 HydrophobicContact CG-CD2 3.75Å; E144-Y147 HydrophobicContact CG-CE2 3.85Å; E144-Y147 PolarHBondContact O-N 2.85Å; E144-Y147 WeakPolarHBondContact OE2-CE2 3.33Å; P145-Y147 PolarHBondContact O-N 3.24Å; Y147-M149 PolarHBondContact O-N 3.08Å; Y147-N150 WeakPolarHBondContact O-CB 3.5Å; Y147-N150 PolarHBondContact O-N 2.73Å; Y147-N150 VanDerWaalsContact O-N 3.1Å; Y147-Y151 WeakPolarHBondContact O-CB 3.01Å; Y147-Y151 PolarHBondContact O-N 3.06Å; Y147-K241 HydrophobicContact CD1-CD 4.3Å; Y147-K241 HydrophobicContact CD2-CD 4.16Å; Y147-K241 HydrophobicContact CE1-CD 4.02Å; Y147-K241 HydrophobicContact CE2-CB 3.89Å; Y147-K241 HydrophobicContact CE2-CD 3.9Å; Y147-K241 HydrophobicContact CG-CD 4.37Å; Y147-E242 WeakPolarHBondContact CE1-OE1 3.39Å; Y147-E242 PolarHBondContact OH-OE1 3.29Å; Y147-E242 PolarHBondContact OH-OE2 2.85Å |
| 148 | Y | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | -174.6 | -170.9 | -118.5 | 0 | 0 | 0 | 113.3 | I10 Y75 L78 A87 V89 I143 E144 P145 N150 Y151 L152 | I10-Y148 HydrophobicContact CD1-CD1 3.7Å; I10-Y148 HydrophobicContact CD1-CE1 4.14Å; I10-Y148 HydrophobicContact CG1-CD1 3.98Å; I10-Y148 HydrophobicContact CG1-CE1 4.22Å; Y75-Y148 HydrophobicContact CE1-CE1 4.23Å; Y75-Y148 AromaticContact CE1-CZ 3.96Å; L78-Y148 HydrophobicContact CD2-CD2 4.18Å; L78-Y148 HydrophobicContact CD2-CE2 3.62Å; A87-Y148 HydrophobicContact CB-CD2 4.32Å; A87-Y148 WeakPolarHBondContact O-CA 3.45Å; A87-Y148 WeakPolarHBondContact O-CB 3.18Å; A87-Y148 PolarHBondContact O-N 2.96Å; V89-Y148 HydrophobicContact CG2-CD2 3.75Å; V89-Y148 HydrophobicContact CG2-CE2 4.24Å; V89-Y148 HydrophobicContact CG2-CG 4.42Å; I143-Y148 HydrophobicContact CG2-CD1 3.66Å; I143-Y148 HydrophobicContact CG2-CD2 4.18Å; I143-Y148 HydrophobicContact CG2-CE1 4.13Å; I143-Y148 HydrophobicContact CG2-CG 3.68Å; E144-Y148 PolarHBondContact O-N 3.4Å; E144-Y148 VanDerWaalsContact O-N 3.08Å; P145-Y148 PolarHBondContact O-N 3.25Å; Y148-N150 PolarHBondContact O-N 3.24Å; Y148-Y151 HydrophobicContact CD2-CD1 4.02Å; Y148-Y151 HydrophobicContact CE2-CD1 4.06Å; Y148-Y151 HydrophobicContact CE2-CE1 4.33Å; Y148-Y151 WeakPolarHBondContact O-CB 3.49Å; Y148-Y151 PolarHBondContact O-N 3.26Å; Y148-L152 HydrophobicContact CD1-CD1 3.82Å; Y148-L152 HydrophobicContact CD1-CG 4.28Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CD2 4.24Å; Y148-L152 HydrophobicContact CE1-CG 4.01Å; Y148-L152 HydrophobicContact CE2-CD2 4.33Å; Y148-L152 HydrophobicContact CE2-CG 4.31Å; Y148-L152 VanDerWaalsContact O-CG 3.32Å; Y148-L152 WeakPolarHBondContact O-CG 2.73Å; Y148-L152 PolarHBondContact O-N 2.87Å |
| 149 | M | 95.9 | Very high | 95 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 175 | -69.2 | -169.4 | -56 | 0 | 0 | 112.6 | I10 L13 V39 S41 Y42 P145 Y147 Y151 L152 L153 | I10-M149 HydrophobicContact CB-CG 4.16Å; I10-M149 HydrophobicContact CB-SD 4.25Å; I10-M149 HydrophobicContact CG1-CG 4.44Å; L13-M149 HydrophobicContact CD1-CB 3.64Å; L13-M149 HydrophobicContact CD1-CG 3.91Å; L13-M149 HydrophobicContact CD1-SD 4.28Å; V39-M149 HydrophobicContact CG2-CE 3.69Å; V39-M149 HydrophobicContact CG2-SD 3.9Å; S41-M149 WeakPolarHBondContact CB-SD 3.45Å; S41-M149 WeakPolarHBondContact O-CE 3.07Å; Y42-M149 HydrophobicContact CD2-CE 4.07Å; P145-M149 WeakPolarHBondContact O-CB 3.47Å; P145-M149 WeakPolarHBondContact O-CG 3.35Å; P145-M149 PolarHBondContact O-N 3.28Å; Y147-M149 PolarHBondContact O-N 3.08Å; M149-Y151 VanDerWaalsContact C-N 3.34Å; M149-L152 PolarHBondContact O-N 3.26Å; M149-L153 WeakPolarHBondContact O-CG 3.21Å; M149-L153 PolarHBondContact O-N 3.07Å |
| 150 | N | 94.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 41% | 0.406 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.4 | -35.7 | 175.1 | -80.2 | -61.8 | 0 | 0 | 0 | 111.9 | R146 Y147 Y148 K154 | R146-N150 PolarHBondContact O-ND2 3.5Å; Y147-N150 WeakPolarHBondContact O-CB 3.5Å; Y147-N150 PolarHBondContact O-N 2.73Å; Y147-N150 VanDerWaalsContact O-N 3.1Å; Y148-N150 PolarHBondContact O-N 3.24Å; N150-K154 WeakPolarHBondContact O-CB 2.94Å; N150-K154 VanDerWaalsContact O-CG 3.29Å; N150-K154 WeakPolarHBondContact O-CG 3.3Å; N150-K154 PolarHBondContact O-N 3.37Å |
| 151 | Y | 96.9 | Very high | 94 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -45 | 174.5 | 169.4 | -98.6 | 0 | 0 | 0 | 112.3 | L78 D83 E86 A87 Y147 Y148 M149 L153 K154 K155 | L78-Y151 HydrophobicContact CD1-CE1 3.97Å; L78-Y151 HydrophobicContact CD1-CE2 4.48Å; L78-Y151 VanDerWaalsContact CD1-OH 3.23Å; L78-Y151 WeakPolarHBondContact CD1-OH 3.43Å; L78-Y151 HydrophobicContact CD2-CD1 4.32Å; L78-Y151 HydrophobicContact CD2-CE1 3.63Å; L78-Y151 HydrophobicContact CG-CE1 4.47Å; D83-Y151 HydrophobicContact CB-CE2 3.68Å; D83-Y151 WeakPolarHBondContact OD2-CE2 3.34Å; D83-Y151 PolarHBondContact OD2-OH 3.16Å; E86-Y151 HydrophobicContact CG-CD2 4.19Å; A87-Y151 HydrophobicContact CB-CD1 3.75Å; A87-Y151 HydrophobicContact CB-CD2 4.03Å; A87-Y151 HydrophobicContact CB-CE1 4.01Å; A87-Y151 HydrophobicContact CB-CE2 4.28Å; A87-Y151 HydrophobicContact CB-CG 3.75Å; Y147-Y151 WeakPolarHBondContact O-CB 3.01Å; Y147-Y151 PolarHBondContact O-N 3.06Å; Y148-Y151 HydrophobicContact CD2-CD1 4.02Å; Y148-Y151 HydrophobicContact CE2-CD1 4.06Å; Y148-Y151 HydrophobicContact CE2-CE1 4.33Å; Y148-Y151 WeakPolarHBondContact O-CB 3.49Å; Y148-Y151 PolarHBondContact O-N 3.26Å; M149-Y151 VanDerWaalsContact C-N 3.34Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.07Å; Y151-K154 PolarHBondContact O-N 2.95Å; Y151-K155 HydrophobicContact CE1-CG 4.39Å; Y151-K155 HydrophobicContact CE2-CD 4.48Å; Y151-K155 HydrophobicContact CE2-CG 4.39Å; Y151-K155 WeakPolarHBondContact O-CG 3.43Å; Y151-K155 PolarHBondContact O-N 2.84Å; Y151-K155 WeakPolarHBondContact OH-CE 3.49Å; Y151-K155 PolarHBondContact OH-NZ 2.97Å |
| 152 | L | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -47.8 | 172.4 | -72.9 | 170.9 | 0 | 0 | 0 | 111.1 | L13 S14 L17 Y148 M149 K155 L156 W323 | L13-L152 HydrophobicContact CB-CB 4.12Å; L13-L152 HydrophobicContact CB-CD1 3.81Å; S14-L152 WeakPolarHBondContact OG-CD1 3.31Å; L17-L152 HydrophobicContact CB-CD2 4.34Å; L17-L152 HydrophobicContact CD2-CD2 3.54Å; Y148-L152 HydrophobicContact CD1-CD1 3.82Å; Y148-L152 HydrophobicContact CD1-CG 4.28Å; Y148-L152 HydrophobicContact CE1-CD1 3.59Å; Y148-L152 HydrophobicContact CE1-CD2 4.24Å; Y148-L152 HydrophobicContact CE1-CG 4.01Å; Y148-L152 HydrophobicContact CE2-CD2 4.33Å; Y148-L152 HydrophobicContact CE2-CG 4.31Å; Y148-L152 VanDerWaalsContact O-CG 3.32Å; Y148-L152 WeakPolarHBondContact O-CG 2.73Å; Y148-L152 PolarHBondContact O-N 2.87Å; M149-L152 PolarHBondContact O-N 3.26Å; L152-K155 PolarHBondContact O-N 2.96Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.39Å; L152-W323 HydrophobicContact CD2-CZ3 4.33Å |
| 153 | L | 94.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 175 | -79.8 | 166.7 | 0 | 0 | 0 | 112 | L13 M149 Y151 K155 L156 T157 Y167 | L13-L153 HydrophobicContact CD1-CD1 4.14Å; L13-L153 HydrophobicContact CD1-CG 4.08Å; L13-L153 HydrophobicContact CD2-CD1 4.42Å; L13-L153 HydrophobicContact CD2-CD2 3.61Å; L13-L153 HydrophobicContact CD2-CG 3.84Å; M149-L153 WeakPolarHBondContact O-CG 3.21Å; M149-L153 PolarHBondContact O-N 3.07Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 3.07Å; L153-K155 PolarHBondContact O-N 2.92Å; L153-L156 PolarHBondContact O-N 2.95Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L153-T157 PolarHBondContact O-N 3.06Å; L153-T157 PolarHBondContact O-OG1 3.13Å; L153-Y167 HydrophobicContact CD2-CE2 3.86Å |
| 154 | K | 94.4 | Very high | 91.4 | Very high | 100 Ų | 100 | 54.3 Ų | 54.3 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -27.8 | 176.9 | -77.5 | 172.9 | 176 | -179.9 | 0 | 114.1 | E86 N150 Y151 K158 | E86-K154 VanDerWaalsContact OE1-CD 3.24Å; E86-K154 WeakPolarHBondContact OE1-CD 3.31Å; E86-K154 WeakPolarHBondContact OE1-CE 3.47Å; E86-K154 IonicContact OE1-NZ 2.64Å; E86-K154 PolarHBondContact OE1-NZ 3.35Å; N150-K154 WeakPolarHBondContact O-CB 2.94Å; N150-K154 VanDerWaalsContact O-CG 3.29Å; N150-K154 WeakPolarHBondContact O-CG 3.3Å; N150-K154 PolarHBondContact O-N 3.37Å; Y151-K154 PolarHBondContact O-N 2.95Å; K154-K158 WeakPolarHBondContact O-CD 3.46Å; K154-K158 VanDerWaalsContact O-CG 3.3Å; K154-K158 WeakPolarHBondContact O-CG 3.16Å |
| 155 | K | 95.3 | Very high | 91 | Very high | 56 Ų | 56 | 58.4 Ų | 58.4 | 24% | 0.243 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.1 | -47.7 | 171.6 | -66.6 | -76.3 | 179.1 | 165.5 | 0 | 110.2 | L17 D83 Y151 L152 L153 T157 K158 L159 | L17-K155 HydrophobicContact CD1-CB 3.69Å; L17-K155 HydrophobicContact CD2-CB 3.86Å; L17-K155 HydrophobicContact CD2-CG 4.38Å; L17-K155 HydrophobicContact CG-CB 4.47Å; D83-K155 WeakPolarHBondContact OD2-CE 3.32Å; D83-K155 IonicContact OD2-NZ 3.46Å; D83-K155 PolarHBondContact OD2-NZ 3.39Å; Y151-K155 HydrophobicContact CE1-CG 4.39Å; Y151-K155 HydrophobicContact CE2-CD 4.48Å; Y151-K155 HydrophobicContact CE2-CG 4.39Å; Y151-K155 WeakPolarHBondContact O-CG 3.43Å; Y151-K155 PolarHBondContact O-N 2.84Å; Y151-K155 WeakPolarHBondContact OH-CE 3.49Å; Y151-K155 PolarHBondContact OH-NZ 2.97Å; L152-K155 PolarHBondContact O-N 2.96Å; L153-K155 PolarHBondContact O-N 2.92Å; K155-T157 PolarHBondContact O-N 3.35Å; K155-K158 WeakPolarHBondContact O-CB 3.46Å; K155-K158 PolarHBondContact O-N 2.84Å; K155-L159 PolarHBondContact O-N 2.95Å |
| 156 | L | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 179.3 | -173.5 | 59 | 0 | 0 | 0 | 112.5 | A16 L17 Q20 L28 I30 L152 L153 K158 L159 I160 I166 | A16-L156 HydrophobicContact CB-CD2 3.68Å; L17-L156 HydrophobicContact CD1-CB 4.44Å; Q20-L156 HydrophobicContact CB-CD1 3.66Å; Q20-L156 HydrophobicContact CG-CD1 4.03Å; L28-L156 HydrophobicContact CD2-CD2 4.4Å; I30-L156 HydrophobicContact CD1-CD2 4.06Å; L152-L156 WeakPolarHBondContact O-CB 3.44Å; L152-L156 PolarHBondContact O-N 3.39Å; L153-L156 PolarHBondContact O-N 2.95Å; L153-L156 VanDerWaalsContact O-N 3.12Å; L156-K158 PolarHBondContact O-N 3.17Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L156-I160 HydrophobicContact CD1-CD1 3.74Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CG-CD1 3.9Å; L156-I160 PolarHBondContact O-N 2.89Å; L156-I166 HydrophobicContact CD2-CG2 3.63Å; L156-I166 HydrophobicContact CG-CD1 4.26Å; L156-I166 HydrophobicContact CG-CG2 4.2Å |
| 157 | T | 92.7 | Very high | 91 | Very high | 70 Ų | 70 | 60.2 Ų | 60.2 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -20.9 | 173.5 | -43.5 | 0 | 0 | 0 | 0 | 113.8 | L153 K155 I166 | L153-T157 PolarHBondContact O-N 3.06Å; L153-T157 PolarHBondContact O-OG1 3.13Å; K155-T157 PolarHBondContact O-N 3.35Å; T157-I166 HydrophobicContact CG2-CD1 4.34Å; T157-I166 VanDerWaalsContact OG1-CD1 3.23Å; T157-I166 WeakPolarHBondContact OG1-CD1 3.16Å |
| 158 | K | 92.9 | Very high | 90.8 | Very high | 160 Ų | 160 | 58.8 Ų | 58.8 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -86.6 | -13.5 | 175.5 | -68.6 | 169.2 | -175.2 | 176.8 | 0 | 113 | K154 K155 L156 | K154-K158 WeakPolarHBondContact O-CD 3.46Å; K154-K158 VanDerWaalsContact O-CG 3.3Å; K154-K158 WeakPolarHBondContact O-CG 3.16Å; K155-K158 WeakPolarHBondContact O-CB 3.46Å; K155-K158 PolarHBondContact O-N 2.84Å; L156-K158 PolarHBondContact O-N 3.17Å |
| 159 | L | 92.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -100.8 | -29.3 | 179 | -61.7 | 175.6 | 0 | 0 | 0 | 112.5 | L17 Q20 E21 K155 L156 | L17-L159 HydrophobicContact CD1-CD1 3.71Å; Q20-L159 HydrophobicContact CB-CD1 4.26Å; Q20-L159 HydrophobicContact CG-CB 3.77Å; Q20-L159 HydrophobicContact CG-CD1 4.32Å; E21-L159 HydrophobicContact CG-CD1 3.58Å; K155-L159 PolarHBondContact O-N 2.95Å; L156-L159 PolarHBondContact O-N 2.97Å; L156-L159 VanDerWaalsContact O-N 3.08Å |
| 160 | I | 88.5 | Confident | 90 | Very high | 13 Ų | 13 | 76.9 Ų | 76.9 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -87.8 | 131.6 | 176.4 | -67.4 | 175.7 | 0 | 0 | 0 | 109.4 | Q20 L28 L156 H164 I166 | Q20-I160 HydrophobicContact CG-CG1 4.07Å; L28-I160 HydrophobicContact CB-CD1 4.23Å; L28-I160 HydrophobicContact CD2-CD1 4.28Å; L156-I160 HydrophobicContact CD1-CD1 3.74Å; L156-I160 HydrophobicContact CD1-CG1 4.26Å; L156-I160 HydrophobicContact CG-CD1 3.9Å; L156-I160 PolarHBondContact O-N 2.89Å; I160-H164 HydrophobicContact CG2-CB 3.77Å; I160-I166 HydrophobicContact CD1-CG1 4.03Å; I160-I166 HydrophobicContact CD1-CG2 4.34Å |
| 161 | P | 81.1 | Confident | 89.8 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | trans | -54.5 | 141.4 | 175.7 | -30.2 | 38.3 | 0 | 0 | 0 | 114 | D163 H164 | P161-D163 WeakPolarHBondContact CB-OD1 3.37Å; P161-D163 PolarHBondContact O-N 3.04Å; P161-H164 PolarHBondContact O-N 2.85Å | ||
| 162 | N | 75.4 | Confident | 89.6 | Confident | 165 Ų | 165 | 80.6 Ų | 80.6 | 88% | 0.882 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -14.1 | -171.9 | -69.5 | -48.5 | 0 | 0 | 0 | 115.5 | ||
| 163 | D | 78.9 | Confident | 89.3 | Confident | 129 Ų | 129 | 85.3 Ų | 85.3 | 69% | 0.69 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.7 | 175.6 | 59.9 | -26.9 | 0 | 0 | 0 | 113.3 | P161 | P161-D163 WeakPolarHBondContact CB-OD1 3.37Å; P161-D163 PolarHBondContact O-N 3.04Å |
| 164 | H | 80.7 | Confident | 89.2 | Confident | 93 Ų | 93 | 85.1 Ų | 85.1 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -107.4 | 123.7 | -178.9 | -68.4 | 71.3 | 0 | 0 | 0 | 111.6 | I160 P161 | I160-H164 HydrophobicContact CG2-CB 3.77Å; P161-H164 PolarHBondContact O-N 2.85Å |
| 165 | S | 86.8 | Confident | 88.9 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | trans | -77 | 125.1 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | Y167 | S165-Y167 WeakPolarHBondContact CB-O 3.45Å; S165-Y167 PolarHBondContact O-N 2.63Å; S165-Y167 PolarHBondContact OG-N 2.98Å; S165-Y167 PolarHBondContact OG-O 3.49Å | ||
| 166 | I | 92 | Very high | 88.6 | Confident | 16 Ų | 16 | 83.7 Ų | 83.7 | 8% | 0.082 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -61.4 | -32.8 | 173.2 | -48.6 | -179.4 | 0 | 0 | 0 | 111.1 | L28 I29 I30 L156 T157 I160 | L28-I166 HydrophobicContact CD2-CG2 4.47Å; I29-I166 CarbonylContact C-O 3.33Å; I30-I166 HydrophobicContact CD1-CG2 3.78Å; I30-I166 HydrophobicContact CG1-CG2 4.07Å; I30-I166 PolarHBondContact N-O 2.85Å; L156-I166 HydrophobicContact CD2-CG2 3.63Å; L156-I166 HydrophobicContact CG-CD1 4.26Å; L156-I166 HydrophobicContact CG-CG2 4.2Å; T157-I166 HydrophobicContact CG2-CD1 4.34Å; T157-I166 VanDerWaalsContact OG1-CD1 3.23Å; T157-I166 WeakPolarHBondContact OG1-CD1 3.16Å; I160-I166 HydrophobicContact CD1-CG1 4.03Å; I160-I166 HydrophobicContact CD1-CG2 4.34Å |
| 167 | Y | 93.3 | Very high | 88.4 | Confident | 56 Ų | 56 | 84.6 Ų | 84.6 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -106.7 | 148.1 | -178.5 | -73.6 | -76.8 | 0 | 0 | 0 | 112 | I30 L153 S165 | I30-Y167 HydrophobicContact CB-CD1 3.75Å; I30-Y167 HydrophobicContact CB-CE1 3.89Å; I30-Y167 HydrophobicContact CG2-CD1 3.89Å; I30-Y167 HydrophobicContact CG2-CE1 3.62Å; I30-Y167 WeakPolarHBondContact O-CA 3.37Å; L153-Y167 HydrophobicContact CD2-CE2 3.86Å; S165-Y167 WeakPolarHBondContact CB-O 3.45Å; S165-Y167 PolarHBondContact O-N 2.63Å; S165-Y167 PolarHBondContact OG-N 2.98Å; S165-Y167 PolarHBondContact OG-O 3.49Å |
| 168 | S | 91.4 | Very high | 88.2 | Confident | 17 Ų | 17 | 86.5 Ų | 86.5 | 12% | 0.119 | 44% | 0.438 | C | S | . | . | trans | -60.7 | 142.9 | 165.6 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | I29 I30 Q31 R170 | I29-S168 VanDerWaalsContact CD1-OG 3.3Å; I29-S168 WeakPolarHBondContact CD1-OG 3.43Å; I29-S168 WeakPolarHBondContact CG1-OG 3.49Å; I30-S168 PolarHBondContact O-N 3.01Å; I30-S168 PolarHBondContact O-OG 3.4Å; Q31-S168 PolarHBondContact OE1-OG 2.96Å; Q31-S168 VanDerWaalsContact OE1-OG 3.14Å; S168-R170 PolarHBondContact O-N 3.08Å | ||
| 169 | E | 87.9 | Confident | 88.1 | Confident | 195 Ų | 195 | 82.1 Ų | 82.1 | 91% | 0.911 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -55.5 | -26.8 | -176.6 | -61.5 | -175.7 | 162.8 | 0 | 0 | 114.2 | ||
| 170 | R | 89.8 | Confident | 88.1 | Confident | 193 Ų | 193 | 78.9 Ų | 78.9 | 73% | 0.728 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -122.3 | 128.3 | -179 | -61.3 | -176.7 | -177 | -170.4 | 0.1 | 109.8 | Q31 S168 | Q31-R170 PolarHBondContact NE2-O 3.12Å; S168-R170 PolarHBondContact O-N 3.08Å |
| 171 | M | 90.5 | Very high | 88.2 | Confident | 116 Ų | 116 | 80 Ų | 80 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | trans | -64.9 | 141 | 160.6 | -62.1 | -174.2 | -56.5 | 0 | 0 | 108.6 | A32 K35 | A32-M171 CarbonylContact O-C 3.28Å; A32-M171 WeakPolarHBondContact O-CA 3.37Å; A32-M171 WeakPolarHBondContact O-CB 3.47Å; K35-M171 HydrophobicContact CD-SD 3.72Å; K35-M171 HydrophobicContact CG-SD 3.89Å | ||
| 172 | T | 91.5 | Very high | 88.7 | Confident | 58 Ų | 58 | 80.7 Ų | 80.7 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | trans | -154.5 | 127.9 | -173.8 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | A32 F174 | A32-T172 CarbonylContact C-O 3.56Å; A32-T172 PolarHBondContact O-N 3.07Å; T172-F174 HydrophobicContact CG2-CD1 4.2Å; T172-F174 HydrophobicContact CG2-CE1 4.06Å | ||
| 173 | R | 90.5 | Very high | 89.6 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | trans | -92.8 | 105.3 | 171 | -171.1 | 169.4 | 177.8 | 150.6 | -16.9 | 108.6 | D33 Y202 S261 | D33-R173 HydrophobicContact CB-CB 3.56Å; D33-R173 HydrophobicContact CB-CG 4.1Å; D33-R173 WeakPolarHBondContact OD2-CD 3.23Å; D33-R173 IonicContact OD2-NE 2.68Å; D33-R173 IonicContact OD2-NH1 2.68Å; R173-Y202 PolarHBondContact NE-OH 3.01Å; R173-S261 PolarHBondContact NH2-O 3.36Å; R173-S261 VanDerWaalsContact NH2-O 3.12Å | ||
| 174 | F | 92.2 | Very high | 90.3 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | trans | -62.6 | 142.2 | 167.8 | -59.5 | -54.7 | 0 | 0 | 0 | 109.7 | I6 Q31 T172 E179 L180 W183 Y202 L203 | I6-F174 HydrophobicContact CG2-CE2 4.01Å; Q31-F174 HydrophobicContact CG-CE2 3.65Å; Q31-F174 HydrophobicContact CG-CZ 3.72Å; T172-F174 HydrophobicContact CG2-CD1 4.2Å; T172-F174 HydrophobicContact CG2-CE1 4.06Å; F174-E179 VanDerWaalsContact CA-OE2 3.23Å; F174-E179 WeakPolarHBondContact CA-OE2 3.27Å; F174-E179 HydrophobicContact CD1-CB 3.76Å; F174-E179 HydrophobicContact CE1-CB 4.49Å; F174-L180 HydrophobicContact CD2-CB 4.32Å; F174-L180 HydrophobicContact CD2-CD1 4.04Å; F174-L180 HydrophobicContact CE2-CD1 3.76Å; F174-L180 HydrophobicContact CG-CB 4.37Å; F174-L180 HydrophobicContact CZ-CD1 4.35Å; F174-W183 HydrophobicContact CE1-CB 3.75Å; F174-W183 HydrophobicContact CE1-CG 4.17Å; F174-W183 HydrophobicContact CE2-CD2 4.41Å; F174-W183 HydrophobicContact CE2-CE3 4.4Å; F174-W183 HydrophobicContact CZ-CB 3.62Å; F174-W183 AromaticContact CZ-CD2 3.79Å; F174-W183 HydrophobicContact CZ-CD2 3.79Å; F174-W183 HydrophobicContact CZ-CE3 4.13Å; F174-W183 AromaticContact CZ-CG 3.57Å; F174-W183 HydrophobicContact CZ-CG 3.57Å; F174-Y202 WeakPolarHBondContact O-CE2 3.39Å; F174-L203 HydrophobicContact CB-CD2 3.66Å | ||
| 175 | T | 89.7 | Confident | 90.9 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -105.6 | -18.7 | 174.5 | 79.9 | 0 | 0 | 0 | 0 | 112.4 | E179 | T175-E179 PolarHBondContact N-OE2 3.46Å; T175-E179 PolarHBondContact OG1-OE1 3.32Å |
| 176 | S | 88.5 | Confident | 91.1 | Very high | 36 Ų | 36 | 74 Ų | 74 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -150 | 160.5 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | N178 E179 L180 | S176-N178 PolarHBondContact O-N 2.91Å; S176-E179 PolarHBondContact O-N 3.1Å; S176-L180 PolarHBondContact O-N 3.24Å |
| 177 | S | 88.8 | Confident | 91.2 | Very high | 21 Ų | 21 | 76.6 Ų | 76.6 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -27.2 | 171.7 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L180 Y181 L203 | S177-L180 WeakPolarHBondContact O-CB 3.37Å; S177-L180 PolarHBondContact O-N 3.46Å; S177-Y181 WeakPolarHBondContact O-CD2 3.47Å; S177-Y181 WeakPolarHBondContact O-CE2 3.33Å; S177-Y181 PolarHBondContact O-N 3.44Å; S177-L203 WeakPolarHBondContact CB-O 3.35Å; S177-L203 PolarHBondContact N-O 3.34Å |
| 178 | N | 88.4 | Confident | 91.2 | Very high | 110 Ų | 110 | 81.9 Ų | 81.9 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 177.1 | -73 | -33.5 | 0 | 0 | 0 | 112.7 | S176 L180 Y181 N182 | S176-N178 PolarHBondContact O-N 2.91Å; N178-L180 VanDerWaalsContact C-N 3.3Å; N178-L180 PolarHBondContact O-N 2.75Å; N178-Y181 PolarHBondContact O-N 3.34Å; N178-N182 PolarHBondContact O-N 2.87Å; N178-N182 VanDerWaalsContact O-N 3.08Å; N178-N182 PolarHBondContact O-ND2 3.01Å |
| 179 | E | 92.7 | Very high | 91.3 | Very high | 68 Ų | 68 | 81.4 Ų | 81.4 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 175.1 | -64.8 | 170.5 | -166.9 | 0 | 0 | 111.3 | F174 T175 S176 N182 W183 | F174-E179 VanDerWaalsContact CA-OE2 3.23Å; F174-E179 WeakPolarHBondContact CA-OE2 3.27Å; F174-E179 HydrophobicContact CD1-CB 3.76Å; F174-E179 HydrophobicContact CE1-CB 4.49Å; T175-E179 PolarHBondContact N-OE2 3.46Å; T175-E179 PolarHBondContact OG1-OE1 3.32Å; S176-E179 PolarHBondContact O-N 3.1Å; E179-N182 PolarHBondContact O-N 3.22Å; E179-W183 PolarHBondContact O-N 3.17Å |
| 180 | L | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.9 | 171.6 | 65.7 | 0 | 0 | 0 | 112.3 | I6 F174 S176 S177 N178 W183 A184 I192 F204 I308 | I6-L180 HydrophobicContact CD1-CD1 3.71Å; I6-L180 HydrophobicContact CD1-CD2 3.61Å; I6-L180 HydrophobicContact CD1-CG 4.3Å; I6-L180 HydrophobicContact CG2-CD1 3.67Å; F174-L180 HydrophobicContact CD2-CB 4.32Å; F174-L180 HydrophobicContact CD2-CD1 4.04Å; F174-L180 HydrophobicContact CE2-CD1 3.76Å; F174-L180 HydrophobicContact CG-CB 4.37Å; F174-L180 HydrophobicContact CZ-CD1 4.35Å; S176-L180 PolarHBondContact O-N 3.24Å; S177-L180 WeakPolarHBondContact O-CB 3.37Å; S177-L180 PolarHBondContact O-N 3.46Å; N178-L180 VanDerWaalsContact C-N 3.3Å; N178-L180 PolarHBondContact O-N 2.75Å; L180-W183 HydrophobicContact CD1-CE3 3.74Å; L180-W183 HydrophobicContact CD1-CZ3 3.89Å; L180-A184 WeakPolarHBondContact O-CB 3.35Å; L180-A184 PolarHBondContact O-N 2.87Å; L180-I192 HydrophobicContact CD1-CD1 4.08Å; L180-I192 HydrophobicContact CD1-CG2 4.27Å; L180-I192 HydrophobicContact CD2-CD1 4.15Å; L180-I192 HydrophobicContact CD2-CG2 4.4Å; L180-I192 HydrophobicContact CG-CD1 3.81Å; L180-F204 HydrophobicContact CD2-CE2 4.29Å; L180-F204 HydrophobicContact CD2-CZ 3.69Å; L180-I308 HydrophobicContact CD2-CD1 4.07Å |
| 181 | Y | 91.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | 174 | -63.2 | -58.5 | 0 | 0 | 0 | 112.9 | S177 N178 A184 K185 I192 Q304 L306 I308 | S177-Y181 WeakPolarHBondContact O-CD2 3.47Å; S177-Y181 WeakPolarHBondContact O-CE2 3.33Å; S177-Y181 PolarHBondContact O-N 3.44Å; N178-Y181 PolarHBondContact O-N 3.34Å; Y181-A184 PolarHBondContact O-N 2.87Å; Y181-K185 VanDerWaalsContact O-CB 3.25Å; Y181-K185 WeakPolarHBondContact O-CB 3.37Å; Y181-K185 PolarHBondContact O-N 3.07Å; Y181-I192 HydrophobicContact CD1-CD1 4.23Å; Y181-I192 HydrophobicContact CE1-CD1 4.21Å; Y181-Q304 VanDerWaalsContact CZ-OE1 3.29Å; Y181-Q304 WeakPolarHBondContact OH-CB 3.47Å; Y181-Q304 PolarHBondContact OH-OE1 3.36Å; Y181-L306 HydrophobicContact CD1-CB 4.13Å; Y181-L306 HydrophobicContact CE1-CB 4.2Å; Y181-I308 HydrophobicContact CE1-CD1 3.7Å; Y181-I308 HydrophobicContact CE1-CG1 4.19Å; Y181-I308 WeakPolarHBondContact OH-CD1 3.23Å |
| 182 | N | 91.7 | Very high | 91.8 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -49.1 | 174.9 | -71.7 | -28.5 | 0 | 0 | 0 | 110.7 | N178 E179 A184 K185 E186 | N178-N182 PolarHBondContact O-N 2.87Å; N178-N182 VanDerWaalsContact O-N 3.08Å; N178-N182 PolarHBondContact O-ND2 3.01Å; E179-N182 PolarHBondContact O-N 3.22Å; N182-A184 VanDerWaalsContact C-N 3.34Å; N182-A184 PolarHBondContact O-N 3.09Å; N182-K185 PolarHBondContact O-N 2.8Å; N182-E186 WeakPolarHBondContact O-CB 3.09Å; N182-E186 VanDerWaalsContact O-CG 3.31Å; N182-E186 WeakPolarHBondContact O-CG 3.41Å; N182-E186 PolarHBondContact O-N 3.26Å |
| 183 | W | 93.9 | Very high | 92 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.6 | -46.9 | 171.7 | 166.9 | 84 | 0 | 0 | 0 | 112 | I6 I29 Q31 F174 E179 L180 K185 E186 Q187 I189 | I6-W183 HydrophobicContact CG2-CE3 4.46Å; I6-W183 HydrophobicContact CG2-CH2 3.83Å; I6-W183 HydrophobicContact CG2-CZ3 3.67Å; I29-W183 HydrophobicContact CG2-CH2 4.48Å; I29-W183 HydrophobicContact CG2-CZ2 4.11Å; Q31-W183 HydrophobicContact CB-CH2 3.8Å; Q31-W183 HydrophobicContact CB-CZ2 3.26Å; Q31-W183 HydrophobicContact CG-CD2 4.42Å; Q31-W183 HydrophobicContact CG-CZ2 3.95Å; F174-W183 HydrophobicContact CE1-CB 3.75Å; F174-W183 HydrophobicContact CE1-CG 4.17Å; F174-W183 HydrophobicContact CE2-CD2 4.41Å; F174-W183 HydrophobicContact CE2-CE3 4.4Å; F174-W183 HydrophobicContact CZ-CB 3.62Å; F174-W183 AromaticContact CZ-CD2 3.79Å; F174-W183 HydrophobicContact CZ-CD2 3.79Å; F174-W183 HydrophobicContact CZ-CE3 4.13Å; F174-W183 AromaticContact CZ-CG 3.57Å; F174-W183 HydrophobicContact CZ-CG 3.57Å; E179-W183 PolarHBondContact O-N 3.17Å; L180-W183 HydrophobicContact CD1-CE3 3.74Å; L180-W183 HydrophobicContact CD1-CZ3 3.89Å; W183-K185 VanDerWaalsContact C-N 3.32Å; W183-K185 PolarHBondContact O-N 2.65Å; W183-E186 PolarHBondContact O-N 3.15Å; W183-Q187 HydrophobicContact CG-CG 4.4Å; W183-Q187 VanDerWaalsContact O-CB 3.32Å; W183-Q187 WeakPolarHBondContact O-CB 3.05Å; W183-Q187 WeakPolarHBondContact O-CG 3.16Å; W183-Q187 PolarHBondContact O-N 2.96Å; W183-I189 HydrophobicContact CD2-CD1 4.09Å; W183-I189 HydrophobicContact CE3-CD1 3.8Å; W183-I189 HydrophobicContact CH2-CD1 3.28Å; W183-I189 HydrophobicContact CZ2-CD1 3.51Å; W183-I189 HydrophobicContact CZ3-CD1 3.43Å; W183-I189 VanDerWaalsContact CZ3-CD1 3.43Å |
| 184 | A | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -40 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L180 Y181 N182 K188 I189 I192 L306 | L180-A184 WeakPolarHBondContact O-CB 3.35Å; L180-A184 PolarHBondContact O-N 2.87Å; Y181-A184 PolarHBondContact O-N 2.87Å; N182-A184 VanDerWaalsContact C-N 3.34Å; N182-A184 PolarHBondContact O-N 3.09Å; A184-K188 PolarHBondContact O-N 3.36Å; A184-I189 HydrophobicContact CB-CB 4.07Å; A184-I189 HydrophobicContact CB-CD1 4.45Å; A184-I189 HydrophobicContact CB-CG2 4.36Å; A184-I189 PolarHBondContact O-N 3.47Å; A184-I192 HydrophobicContact CB-CD1 3.94Å; A184-I192 HydrophobicContact CB-CG1 4.15Å; A184-L306 HydrophobicContact CB-CD2 3.51Å |
| 185 | K | 92.1 | Very high | 92.3 | Very high | 172 Ų | 172 | 52.9 Ų | 52.9 | 75% | 0.748 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.9 | -44.1 | 175.5 | -179.1 | -177.6 | 176.6 | -174.9 | 0 | 112.4 | Y181 N182 W183 K188 | Y181-K185 VanDerWaalsContact O-CB 3.25Å; Y181-K185 WeakPolarHBondContact O-CB 3.37Å; Y181-K185 PolarHBondContact O-N 3.07Å; N182-K185 PolarHBondContact O-N 2.8Å; W183-K185 VanDerWaalsContact C-N 3.32Å; W183-K185 PolarHBondContact O-N 2.65Å; K185-K188 PolarHBondContact O-N 3.15Å |
| 186 | E | 92.7 | Very high | 92.4 | Very high | 146 Ų | 146 | 50.3 Ų | 50.3 | 68% | 0.682 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.3 | -45.3 | 176.6 | -74.1 | 169 | -167.2 | 0 | 0 | 111.6 | N182 W183 K188 | N182-E186 WeakPolarHBondContact O-CB 3.09Å; N182-E186 VanDerWaalsContact O-CG 3.31Å; N182-E186 WeakPolarHBondContact O-CG 3.41Å; N182-E186 PolarHBondContact O-N 3.26Å; W183-E186 PolarHBondContact O-N 3.15Å; E186-K188 VanDerWaalsContact C-N 3.27Å; E186-K188 PolarHBondContact O-N 3.41Å |
| 187 | Q | 92.7 | Very high | 92.4 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.3 | -6.5 | 179.5 | -67.4 | -59.5 | -38.5 | 0 | 0 | 114.2 | K2 W183 I189 | K2-Q187 WeakPolarHBondContact CD-O 3.4Å; K2-Q187 WeakPolarHBondContact CE-O 3.14Å; K2-Q187 PolarHBondContact NZ-O 3.34Å; W183-Q187 HydrophobicContact CG-CG 4.4Å; W183-Q187 VanDerWaalsContact O-CB 3.32Å; W183-Q187 WeakPolarHBondContact O-CB 3.05Å; W183-Q187 WeakPolarHBondContact O-CG 3.16Å; W183-Q187 PolarHBondContact O-N 2.96Å; Q187-I189 VanDerWaalsContact C-N 3.31Å; Q187-I189 HydrophobicContact CB-CD1 3.73Å; Q187-I189 HydrophobicContact CB-CG1 3.97Å; Q187-I189 HydrophobicContact CG-CD1 4.45Å; Q187-I189 PolarHBondContact O-N 3.14Å |
| 188 | K | 93.4 | Very high | 92.2 | Very high | 168 Ų | 168 | 49.9 Ų | 49.9 | 73% | 0.73 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 33.6 | -175.1 | -52.1 | 174.5 | -173.1 | 169.2 | 0 | 114.1 | A184 K185 E186 | A184-K188 PolarHBondContact O-N 3.36Å; K185-K188 PolarHBondContact O-N 3.15Å; E186-K188 VanDerWaalsContact C-N 3.27Å; E186-K188 PolarHBondContact O-N 3.41Å |
| 189 | I | 93.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | trans | -67.4 | 137.4 | 175.7 | -72.2 | 159.5 | 0 | 0 | 0 | 110 | K2 I29 W183 A184 Q187 V191 I192 L306 | K2-I189 HydrophobicContact CD-CG1 3.93Å; K2-I189 HydrophobicContact CG-CG1 4.01Å; I29-I189 HydrophobicContact CG2-CD1 3.81Å; I29-I189 HydrophobicContact CG2-CG1 4.13Å; W183-I189 HydrophobicContact CD2-CD1 4.09Å; W183-I189 HydrophobicContact CE3-CD1 3.8Å; W183-I189 HydrophobicContact CH2-CD1 3.28Å; W183-I189 HydrophobicContact CZ2-CD1 3.51Å; W183-I189 HydrophobicContact CZ3-CD1 3.43Å; W183-I189 VanDerWaalsContact CZ3-CD1 3.43Å; A184-I189 HydrophobicContact CB-CB 4.07Å; A184-I189 HydrophobicContact CB-CD1 4.45Å; A184-I189 HydrophobicContact CB-CG2 4.36Å; A184-I189 PolarHBondContact O-N 3.47Å; Q187-I189 VanDerWaalsContact C-N 3.31Å; Q187-I189 HydrophobicContact CB-CD1 3.73Å; Q187-I189 HydrophobicContact CB-CG1 3.97Å; Q187-I189 HydrophobicContact CG-CD1 4.45Å; Q187-I189 PolarHBondContact O-N 3.14Å; I189-V191 WeakPolarHBondContact CG2-O 3.46Å; I189-I192 HydrophobicContact CG2-CG1 4.23Å; I189-L306 HydrophobicContact CG2-CD2 4.39Å | ||
| 190 | N | 92.2 | Very high | 92.1 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -98.3 | -26.7 | 178.9 | -55.2 | 123.1 | 0 | 0 | 0 | 112.9 | M1 K2 L306 P307 | M1-N190 VanDerWaalsContact CA-OD1 3.31Å; M1-N190 WeakPolarHBondContact CA-OD1 3.41Å; M1-N190 HydrophobicContact CE-CB 4.01Å; M1-N190 HydrophobicContact CG-CB 3.93Å; M1-N190 WeakPolarHBondContact CG-OD1 3.15Å; M1-N190 HydrophobicContact SD-CB 4.18Å; K2-N190 PolarHBondContact N-OD1 3.37Å; K2-N190 PolarHBondContact O-N 3.27Å; N190-L306 WeakPolarHBondContact O-CD1 3.19Å; N190-P307 WeakPolarHBondContact O-CG 3.13Å |
| 191 | V | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 132.7 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | M1 G4 I189 P307 I309 F333 V336 | M1-V191 HydrophobicContact CE-CB 4.4Å; M1-V191 HydrophobicContact CE-CG2 3.32Å; G4-V191 PolarHBondContact N-O 2.67Å; I189-V191 WeakPolarHBondContact CG2-O 3.46Å; V191-P307 WeakPolarHBondContact CA-O 3.47Å; V191-P307 HydrophobicContact CG2-CG 4.01Å; V191-I309 HydrophobicContact CG1-CD1 3.73Å; V191-I309 HydrophobicContact CG1-CG1 4.21Å; V191-F333 HydrophobicContact CB-CD2 4.36Å; V191-F333 HydrophobicContact CB-CE2 3.93Å; V191-F333 HydrophobicContact CG1-CD2 3.98Å; V191-F333 HydrophobicContact CG1-CE2 4.06Å; V191-F333 HydrophobicContact CG2-CD2 4.41Å; V191-F333 HydrophobicContact CG2-CE2 3.9Å; V191-V336 HydrophobicContact CG2-CG1 3.67Å |
| 192 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.2 | 168.8 | -61.8 | 158.7 | 0 | 0 | 0 | 108.8 | G4 I6 L180 Y181 A184 I189 L306 P307 I308 I309 | G4-I192 CarbonylContact O-C 3.55Å; G4-I192 VanDerWaalsContact O-CA 3.25Å; G4-I192 WeakPolarHBondContact O-CA 3.22Å; I6-I192 HydrophobicContact CD1-CG2 4.17Å; I6-I192 HydrophobicContact CG1-CG2 4.13Å; L180-I192 HydrophobicContact CD1-CD1 4.08Å; L180-I192 HydrophobicContact CD1-CG2 4.27Å; L180-I192 HydrophobicContact CD2-CD1 4.15Å; L180-I192 HydrophobicContact CD2-CG2 4.4Å; L180-I192 HydrophobicContact CG-CD1 3.81Å; Y181-I192 HydrophobicContact CD1-CD1 4.23Å; Y181-I192 HydrophobicContact CE1-CD1 4.21Å; A184-I192 HydrophobicContact CB-CD1 3.94Å; A184-I192 HydrophobicContact CB-CG1 4.15Å; I189-I192 HydrophobicContact CG2-CG1 4.23Å; I192-L306 HydrophobicContact CD1-CD2 3.79Å; I192-L306 HydrophobicContact CG1-CD2 3.9Å; I192-P307 PolarHBondContact N-O 3.47Å; I192-I308 HydrophobicContact CB-CB 4.36Å; I192-I308 HydrophobicContact CB-CD1 4.26Å; I192-I308 HydrophobicContact CB-CG1 4.03Å; I192-I308 HydrophobicContact CB-CG2 3.99Å; I192-I308 HydrophobicContact CD1-CD1 3.7Å; I192-I308 HydrophobicContact CD1-CG1 3.98Å; I192-I308 HydrophobicContact CG2-CD1 4.43Å; I192-I308 HydrophobicContact CG2-CG2 3.94Å; I192-I308 WeakPolarHBondContact O-CA 3.08Å; I192-I309 PolarHBondContact O-N 3.36Å |
| 193 | V | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 109.4 | 166.1 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | V3 G4 I5 I6 T15 I19 I309 | V3-V193 HydrophobicContact CG1-CG2 3.7Å; G4-V193 PolarHBondContact O-N 3.33Å; I5-V193 WeakPolarHBondContact CA-O 3.35Å; I5-V193 HydrophobicContact CG1-CB 4.07Å; I5-V193 HydrophobicContact CG1-CG2 4.27Å; I5-V193 HydrophobicContact CG2-CB 4.44Å; I6-V193 PolarHBondContact N-O 2.95Å; T15-V193 HydrophobicContact CG2-CG1 3.83Å; I19-V193 HydrophobicContact CD1-CG2 3.87Å; V193-I309 CarbonylContact C-O 3.57Å; V193-I309 VanDerWaalsContact CA-O 3.24Å; V193-I309 WeakPolarHBondContact CA-O 3.03Å; V193-I309 HydrophobicContact CG1-CG2 4.43Å |
| 194 | N | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.7 | -176.4 | 178.8 | 19.7 | 0 | 0 | 0 | 112.7 | I6 T196 S200 F204 I308 I309 H310 N311 Y312 | I6-N194 HydrophobicContact CD1-CB 3.94Å; I6-N194 HydrophobicContact CG1-CB 4Å; N194-T196 PolarHBondContact OD1-N 2.66Å; N194-T196 PolarHBondContact OD1-OG1 3.12Å; N194-S200 PolarHBondContact ND2-OG 2.97Å; N194-S200 PolarHBondContact OD1-OG 3.3Å; N194-S200 VanDerWaalsContact OD1-OG 3.12Å; N194-F204 WeakPolarHBondContact ND2-CD2 3.48Å; N194-F204 WeakPolarHBondContact ND2-CE2 3.48Å; N194-I308 HydrophobicContact CB-CG2 4.08Å; N194-I309 PolarHBondContact N-O 3.13Å; N194-H310 PolarHBondContact ND2-ND1 3.39Å; N194-N311 CarbonylContact O-C 3.49Å; N194-N311 VanDerWaalsContact O-C 3.28Å; N194-N311 PolarHBondContact O-N 3.38Å; N194-Y312 VanDerWaalsContact ND2-CD1 3.34Å; N194-Y312 WeakPolarHBondContact ND2-CD1 3.31Å |
| 195 | C | 94.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | trans | -129.1 | 24.2 | 178.5 | -52 | 0 | 0 | 0 | 0 | 112 | I6 I11 G197 | I6-C195 CarbonylContact O-C 3.47Å; I6-C195 VanDerWaalsContact O-C 3.25Å; I6-C195 VanDerWaalsContact O-CA 3.27Å; I6-C195 WeakPolarHBondContact O-CA 3.27Å; I6-C195 WeakPolarHBondContact O-CB 3.43Å; I6-C195 PolarHBondContact O-N 2.97Å; I11-C195 HydrophobicContact CB-CB 4.47Å; I11-C195 HydrophobicContact CG2-CB 4.38Å; C195-G197 PolarHBondContact O-N 3.1Å | ||
| 196 | T | 91.9 | Very high | 90.6 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 22% | 0.221 | 19% | 0.189 | C | C | . | . | trans | -74.4 | 16.8 | -164.4 | 49.4 | 0 | 0 | 0 | 0 | 117.1 | I6 N194 G199 S200 L203 | I6-T196 HydrophobicContact CB-CG2 3.74Å; I6-T196 HydrophobicContact CD1-CG2 3.75Å; I6-T196 HydrophobicContact CG1-CG2 3.67Å; I6-T196 PolarHBondContact O-N 3.36Å; N194-T196 PolarHBondContact OD1-N 2.66Å; N194-T196 PolarHBondContact OD1-OG1 3.12Å; T196-G199 WeakPolarHBondContact O-CA 3.29Å; T196-G199 PolarHBondContact O-N 2.75Å; T196-G199 VanDerWaalsContact O-N 3.1Å; T196-S200 PolarHBondContact OG1-N 2.89Å; T196-S200 PolarHBondContact OG1-OG 3.07Å; T196-L203 HydrophobicContact CG2-CD1 4.25Å | ||
| 197 | G | 88.9 | Confident | 90 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -153.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C195 G199 S200 P299 | C195-G197 PolarHBondContact O-N 3.1Å; G197-G199 PolarHBondContact O-N 2.63Å; G197-S200 PolarHBondContact O-N 2.77Å; G197-S200 VanDerWaalsContact O-N 3.15Å; G197-P299 WeakPolarHBondContact O-CB 3.33Å |
| 198 | L | 85.5 | Confident | 89.5 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 15% | 0.152 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -20.3 | 165 | -76.3 | 161.8 | 0 | 0 | 0 | 114.4 | S200 G201 L209 P211 V256 Y297 | L198-S200 PolarHBondContact O-N 3.07Å; L198-G201 PolarHBondContact O-N 2.93Å; L198-L209 HydrophobicContact CD2-CB 4.49Å; L198-P211 HydrophobicContact CD1-CB 3.76Å; L198-P211 HydrophobicContact CD2-CB 3.94Å; L198-P211 HydrophobicContact CG-CB 4.49Å; L198-V256 HydrophobicContact CB-CG1 4.19Å; L198-V256 HydrophobicContact CD2-CG1 4.21Å; L198-Y297 HydrophobicContact CD1-CD1 4.13Å; L198-Y297 HydrophobicContact CD2-CD1 3.85Å; L198-Y297 HydrophobicContact CD2-CE1 4.25Å; L198-Y297 HydrophobicContact CG-CD1 3.97Å |
| 199 | G | 88.6 | Confident | 88.9 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -31.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | T196 G197 G201 Y202 L203 | T196-G199 WeakPolarHBondContact O-CA 3.29Å; T196-G199 PolarHBondContact O-N 2.75Å; T196-G199 VanDerWaalsContact O-N 3.1Å; G197-G199 PolarHBondContact O-N 2.63Å; G199-G201 PolarHBondContact O-N 2.84Å; G199-Y202 VanDerWaalsContact CA-CE1 3.49Å; G199-Y202 WeakPolarHBondContact O-CD1 3.33Å; G199-Y202 WeakPolarHBondContact O-CE1 3.27Å; G199-Y202 WeakPolarHBondContact O-CE2 3.19Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 3.03Å |
| 200 | S | 89.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -24.6 | 179.9 | -63.4 | 0 | 0 | 0 | 0 | 114.3 | N194 T196 G197 L198 Y202 L203 F204 Y312 | N194-S200 PolarHBondContact ND2-OG 2.97Å; N194-S200 PolarHBondContact OD1-OG 3.3Å; N194-S200 VanDerWaalsContact OD1-OG 3.12Å; T196-S200 PolarHBondContact OG1-N 2.89Å; T196-S200 PolarHBondContact OG1-OG 3.07Å; G197-S200 PolarHBondContact O-N 2.77Å; G197-S200 VanDerWaalsContact O-N 3.15Å; L198-S200 PolarHBondContact O-N 3.07Å; S200-Y202 PolarHBondContact O-N 2.9Å; S200-L203 PolarHBondContact O-N 2.81Å; S200-L203 VanDerWaalsContact O-N 3.15Å; S200-F204 PolarHBondContact O-N 3.43Å; S200-Y312 WeakPolarHBondContact OG-CD2 3.34Å |
| 201 | G | 86 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L198 G199 N205 D206 L257 | L198-G201 PolarHBondContact O-N 2.93Å; G199-G201 PolarHBondContact O-N 2.84Å; G201-N205 WeakPolarHBondContact O-CA 3.32Å; G201-N205 PolarHBondContact O-N 2.64Å; G201-D206 PolarHBondContact O-N 2.91Å; G201-L257 WeakPolarHBondContact O-CD2 3.14Å |
| 202 | Y | 85.6 | Confident | 87.3 | Confident | 51 Ų | 51 | 32.2 Ų | 32.2 | 20% | 0.2 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79.2 | -25.3 | 174.3 | 62.2 | -104.4 | 0 | 0 | 0 | 113.7 | R173 F174 G199 S200 P260 | R173-Y202 PolarHBondContact NE-OH 3.01Å; F174-Y202 WeakPolarHBondContact O-CE2 3.39Å; G199-Y202 VanDerWaalsContact CA-CE1 3.49Å; G199-Y202 WeakPolarHBondContact O-CD1 3.33Å; G199-Y202 WeakPolarHBondContact O-CE1 3.27Å; G199-Y202 WeakPolarHBondContact O-CE2 3.19Å; S200-Y202 PolarHBondContact O-N 2.9Å; Y202-P260 HydrophobicContact CD1-CB 3.98Å; Y202-P260 HydrophobicContact CD1-CG 4.11Å; Y202-P260 HydrophobicContact CE1-CB 3.89Å; Y202-P260 HydrophobicContact CE1-CG 4.36Å; Y202-P260 HydrophobicContact CG-CG 4.47Å |
| 203 | L | 89.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -32.9 | 176.7 | -67.3 | 174.5 | 0 | 0 | 0 | 113.3 | F174 S177 T196 G199 S200 | F174-L203 HydrophobicContact CB-CD2 3.66Å; S177-L203 WeakPolarHBondContact CB-O 3.35Å; S177-L203 PolarHBondContact N-O 3.34Å; T196-L203 HydrophobicContact CG2-CD1 4.25Å; G199-L203 WeakPolarHBondContact O-CG 3.32Å; G199-L203 PolarHBondContact O-N 3.03Å; S200-L203 PolarHBondContact O-N 2.81Å; S200-L203 VanDerWaalsContact O-N 3.15Å |
| 204 | F | 88.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 34 Ų | 34 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -123.6 | 2.6 | -171.6 | -67.4 | -79.8 | 0 | 0 | 0 | 114.4 | L180 N194 S200 T302 I308 H310 | L180-F204 HydrophobicContact CD2-CE2 4.29Å; L180-F204 HydrophobicContact CD2-CZ 3.69Å; N194-F204 WeakPolarHBondContact ND2-CD2 3.48Å; N194-F204 WeakPolarHBondContact ND2-CE2 3.48Å; S200-F204 PolarHBondContact O-N 3.43Å; F204-T302 HydrophobicContact CB-CG2 3.83Å; F204-T302 HydrophobicContact CD1-CG2 3.93Å; F204-T302 VanDerWaalsContact CD1-OG1 3.28Å; F204-T302 WeakPolarHBondContact CD1-OG1 3.46Å; F204-T302 HydrophobicContact CG-CG2 4.14Å; F204-I308 HydrophobicContact CE1-CD1 3.88Å; F204-I308 HydrophobicContact CZ-CD1 3.83Å; F204-H310 AromaticContact CD1-CE1 3.89Å; F204-H310 AromaticContact CE1-CE1 3.68Å; F204-H310 AromaticContact CE2-CE1 3.9Å; F204-H310 AromaticContact CZ-CE1 3.68Å |
| 205 | N | 86.7 | Confident | 85.8 | Confident | 125 Ų | 125 | 34.1 Ų | 34.1 | 67% | 0.668 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 51.2 | -178.7 | -167 | 87.2 | 0 | 0 | 0 | 113.1 | G201 | G201-N205 WeakPolarHBondContact O-CA 3.32Å; G201-N205 PolarHBondContact O-N 2.64Å |
| 206 | D | 85.5 | Confident | 85.5 | Confident | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | trans | -96 | 118.3 | 178.3 | 167.5 | -6 | 0 | 0 | 0 | 110.3 | G201 E208 L209 E300 Y312 | G201-D206 PolarHBondContact O-N 2.91Å; D206-E208 PolarHBondContact OD1-N 3.01Å; D206-L209 PolarHBondContact OD1-N 3.46Å; D206-L209 VanDerWaalsContact OD2-CG 3.29Å; D206-L209 WeakPolarHBondContact OD2-CG 3.27Å; D206-E300 WeakPolarHBondContact OD2-CB 3.01Å; D206-Y312 HydrophobicContact CB-CE2 4.45Å; D206-Y312 VanDerWaalsContact OD2-CE2 3.27Å; D206-Y312 WeakPolarHBondContact OD2-CE2 3.47Å; D206-Y312 PolarHBondContact OD2-OH 2.71Å | ||
| 207 | P | 81.9 | Confident | 85.4 | Confident | 67 Ų | 67 | 32.1 Ų | 32.1 | 44% | 0.435 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -89.9 | -11.4 | -176.4 | 37 | -36.4 | 0 | 0 | 0 | 114.7 | L209 L257 | P207-L209 VanDerWaalsContact C-N 3.34Å; P207-L257 HydrophobicContact CB-CD1 3.84Å |
| 208 | E | 81.3 | Confident | 85.5 | Confident | 119 Ų | 119 | 32.6 Ų | 32.6 | 56% | 0.556 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -82.8 | -17.8 | 178.3 | -62.6 | -48.2 | 128.7 | 0 | 0 | 111.3 | D206 R210 | D206-E208 PolarHBondContact OD1-N 3.01Å; E208-R210 PolarHBondContact O-N 3.33Å; E208-R210 VanDerWaalsContact O-N 3.13Å; E208-R210 IonicContact OE1-NH2 2.62Å; E208-R210 PolarHBondContact OE1-NH2 3.16Å; E208-R210 IonicContact OE2-CZ 3.34Å; E208-R210 IonicContact OE2-NH2 3.61Å; E208-R210 PolarHBondContact OE2-NH2 2.87Å |
| 209 | L | 81.6 | Confident | 85.7 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | trans | -68.2 | 110.3 | 166.7 | -59.7 | -163.5 | 0 | 0 | 0 | 113.3 | L198 D206 P207 V256 P299 E300 Y312 | L198-L209 HydrophobicContact CD2-CB 4.49Å; D206-L209 PolarHBondContact OD1-N 3.46Å; D206-L209 VanDerWaalsContact OD2-CG 3.29Å; D206-L209 WeakPolarHBondContact OD2-CG 3.27Å; P207-L209 VanDerWaalsContact C-N 3.34Å; L209-V256 HydrophobicContact CB-CG2 4.08Å; L209-P299 HydrophobicContact CD1-CB 4.33Å; L209-P299 VanDerWaalsContact CD2-CA 3.47Å; L209-P299 WeakPolarHBondContact CD2-O 3.36Å; L209-E300 HydrophobicContact CD2-CB 4.15Å; L209-Y312 HydrophobicContact CD1-CD2 4Å; L209-Y312 HydrophobicContact CD1-CE2 3.79Å | ||
| 210 | R | 78.7 | Confident | 85.9 | Confident | 133 Ų | 133 | 38.3 Ų | 38.3 | 50% | 0.502 | 19% | 0.187 | S | C | . | . | trans | -123.4 | 121.2 | 176.4 | -61.3 | 179.6 | -164.1 | 158.5 | 17.8 | 108.8 | E208 V212 | E208-R210 PolarHBondContact O-N 3.33Å; E208-R210 VanDerWaalsContact O-N 3.13Å; E208-R210 IonicContact OE1-NH2 2.62Å; E208-R210 PolarHBondContact OE1-NH2 3.16Å; E208-R210 IonicContact OE2-CZ 3.34Å; E208-R210 IonicContact OE2-NH2 3.61Å; E208-R210 PolarHBondContact OE2-NH2 2.87Å; R210-V212 PolarHBondContact O-N 2.82Å | ||
| 211 | P | 83 | Confident | 86 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -67.4 | 122.5 | 176.3 | 22.4 | -25.9 | 0 | 0 | 0 | 110.2 | L198 L253 P254 V256 | L198-P211 HydrophobicContact CD1-CB 3.76Å; L198-P211 HydrophobicContact CD2-CB 3.94Å; L198-P211 HydrophobicContact CG-CB 4.49Å; P211-L253 HydrophobicContact CB-CB 4.02Å; P211-L253 HydrophobicContact CB-CD1 4.39Å; P211-L253 HydrophobicContact CG-CB 3.76Å; P211-L253 PolarHBondContact O-N 3.04Å; P211-P254 WeakPolarHBondContact CD-O 3.47Å; P211-P254 WeakPolarHBondContact CG-O 3.49Å; P211-V256 HydrophobicContact CG-CG1 4.17Å | ||
| 212 | V | 82.9 | Confident | 86.2 | Confident | 24 Ų | 24 | 42.9 Ų | 42.9 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.2 | 165.8 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | R210 R250 Y252 | R210-V212 PolarHBondContact O-N 2.82Å; V212-R250 HydrophobicContact CG1-CB 3.97Å; V212-R250 HydrophobicContact CG1-CG 4.32Å; V212-Y252 HydrophobicContact CG2-CD1 3.74Å; V212-Y252 HydrophobicContact CG2-CE1 3.75Å |
| 213 | K | 83.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.2 | 175.2 | 175.8 | -165 | -174 | 173.5 | 0 | 109.4 | F249 R250 E251 L253 D265 I267 | K213-F249 HydrophobicContact CD-CE1 4.26Å; K213-R250 CarbonylContact O-C 3.49Å; K213-R250 WeakPolarHBondContact O-CA 3.48Å; K213-E251 HydrophobicContact CB-CB 4.2Å; K213-E251 HydrophobicContact CD-CB 4.16Å; K213-E251 HydrophobicContact CD-CG 4.4Å; K213-E251 WeakPolarHBondContact CD-OE2 3.43Å; K213-E251 PolarHBondContact N-O 3.02Å; K213-E251 IonicContact NZ-OE2 3.27Å; K213-E251 PolarHBondContact NZ-OE2 3.16Å; K213-E251 PolarHBondContact O-N 2.68Å; K213-L253 HydrophobicContact CB-CD1 3.81Å; K213-L253 HydrophobicContact CB-CG 4.21Å; K213-D265 WeakPolarHBondContact CD-O 3.46Å; K213-D265 WeakPolarHBondContact CE-O 3.47Å; K213-D265 PolarHBondContact NZ-O 3.36Å; K213-I267 WeakPolarHBondContact CE-O 3.31Å; K213-I267 PolarHBondContact NZ-O 3.28Å |
| 214 | G | 83.2 | Confident | 86.6 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 167.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D295 | G214-D295 WeakPolarHBondContact CA-OD1 3.42Å; G214-D295 PolarHBondContact N-OD1 2.76Å; G214-D295 VanDerWaalsContact O-OD1 3.13Å |
| 215 | Q | 85.1 | Confident | 86.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 133.3 | 162.3 | -163.9 | 173.8 | -60.8 | 0 | 0 | 109.1 | F249 S269 T273 I276 I293 I294 | Q215-F249 HydrophobicContact CB-CB 3.73Å; Q215-F249 HydrophobicContact CB-CD1 3.43Å; Q215-F249 VanDerWaalsContact CB-CD1 3.43Å; Q215-F249 HydrophobicContact CB-CE1 4.25Å; Q215-F249 HydrophobicContact CB-CG 3.77Å; Q215-S269 PolarHBondContact NE2-O 2.75Å; Q215-T273 PolarHBondContact NE2-OG1 3.22Å; Q215-T273 VanDerWaalsContact NE2-OG1 3.13Å; Q215-I276 HydrophobicContact CB-CD1 4.25Å; Q215-I276 HydrophobicContact CG-CD1 4.3Å; Q215-I276 WeakPolarHBondContact O-CD1 3.37Å; Q215-I293 HydrophobicContact CG-CD1 4.3Å; Q215-I293 HydrophobicContact CG-CG2 3.2Å; Q215-I294 CarbonylContact C-O 3.5Å; Q215-I294 WeakPolarHBondContact CA-O 3.46Å |
| 216 | L | 88.4 | Confident | 87.3 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141.4 | -176 | 63.4 | 68 | 0 | 0 | 0 | 112.4 | A45 R218 Y236 I245 L246 I293 I294 | A45-L216 HydrophobicContact CB-CD2 4.38Å; L216-R218 HydrophobicContact CD1-CG 4.11Å; L216-Y236 HydrophobicContact CB-CE2 4.35Å; L216-I245 HydrophobicContact CB-CG2 4.37Å; L216-I245 HydrophobicContact CD1-CG2 3.88Å; L216-I245 HydrophobicContact CD2-CG2 3.74Å; L216-I245 HydrophobicContact CG-CG2 4.23Å; L216-L246 CarbonylContact C-O 3.5Å; L216-L246 VanDerWaalsContact C-O 3.28Å; L216-L246 WeakPolarHBondContact CA-O 3.22Å; L216-L246 WeakPolarHBondContact CB-O 3.14Å; L216-I293 CarbonylContact O-C 3.38Å; L216-I293 VanDerWaalsContact O-C 3.3Å; L216-I293 WeakPolarHBondContact O-CA 3.49Å; L216-I293 WeakPolarHBondContact O-CB 3.27Å; L216-I293 VanDerWaalsContact O-CG2 3.31Å; L216-I293 WeakPolarHBondContact O-CG2 3.24Å; L216-I294 HydrophobicContact CD1-CB 4.46Å; L216-I294 WeakPolarHBondContact CG-O 3.49Å; L216-I294 PolarHBondContact N-O 3.44Å; L216-I294 PolarHBondContact O-N 2.79Å |
| 217 | V | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 154.9 | 172.1 | -160.7 | 0 | 0 | 0 | 0 | 109.8 | V219 I245 L246 I276 L277 S291 S292 I293 | V217-V219 HydrophobicContact CB-CG1 4.26Å; V217-V219 HydrophobicContact CG1-CG1 3.34Å; V217-I245 CarbonylContact O-C 3.28Å; V217-I245 WeakPolarHBondContact O-CA 3.09Å; V217-L246 HydrophobicContact CB-CB 3.76Å; V217-L246 HydrophobicContact CB-CD1 3.97Å; V217-L246 HydrophobicContact CB-CG 3.92Å; V217-L246 HydrophobicContact CG1-CD1 4.24Å; V217-L246 HydrophobicContact CG2-CB 3.88Å; V217-L246 HydrophobicContact CG2-CD1 4.1Å; V217-L246 HydrophobicContact CG2-CG 4.35Å; V217-L246 PolarHBondContact N-O 3Å; V217-L246 PolarHBondContact O-N 3.3Å; V217-I276 HydrophobicContact CG2-CB 4.08Å; V217-I276 HydrophobicContact CG2-CG2 3.54Å; V217-L277 HydrophobicContact CB-CD2 4.44Å; V217-L277 HydrophobicContact CG1-CD2 3.86Å; V217-L277 HydrophobicContact CG2-CD2 3.76Å; V217-L277 HydrophobicContact CG2-CG 4.16Å; V217-S291 VanDerWaalsContact CG1-C 3.43Å; V217-S291 WeakPolarHBondContact CG1-O 3.29Å; V217-S292 CarbonylContact C-O 3.39Å; V217-I293 HydrophobicContact CB-CD1 4.1Å; V217-I293 HydrophobicContact CB-CG1 4.18Å; V217-I293 HydrophobicContact CG1-CG1 4.23Å; V217-I293 HydrophobicContact CG2-CD1 3.43Å; V217-I293 VanDerWaalsContact CG2-CD1 3.43Å; V217-I293 HydrophobicContact CG2-CG1 3.97Å |
| 218 | R | 91 | Very high | 88.5 | Confident | 27 Ų | 27 | 45 Ų | 45 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 98.7 | 166.7 | -80 | 174.5 | 167.1 | -87.8 | 3 | 108.3 | A44 E144 L216 S243 V244 I245 S292 | A44-R218 PolarHBondContact O-NH2 3.15Å; E144-R218 IonicContact OE1-CZ 3.3Å; E144-R218 IonicContact OE1-NH1 1.93Å; E144-R218 PolarHBondContact OE1-NH1 3.45Å; E144-R218 IonicContact OE1-NH2 2.95Å; E144-R218 PolarHBondContact OE1-NH2 3.12Å; L216-R218 HydrophobicContact CD1-CG 4.11Å; R218-S243 PolarHBondContact NH1-OG 3.09Å; R218-V244 CarbonylContact C-O 3.59Å; R218-V244 VanDerWaalsContact CA-O 3.26Å; R218-V244 WeakPolarHBondContact CA-O 3.22Å; R218-I245 HydrophobicContact CG-CG1 3.96Å; R218-S292 CarbonylContact C-O 3.55Å; R218-S292 WeakPolarHBondContact CA-O 3.44Å; R218-S292 PolarHBondContact N-O 3.25Å |
| 219 | V | 90.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.9 | -177.1 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | V217 A221 S243 V244 L246 L288 S291 | V217-V219 HydrophobicContact CB-CG1 4.26Å; V217-V219 HydrophobicContact CG1-CG1 3.34Å; V219-A221 HydrophobicContact CG2-CB 3.78Å; V219-A221 PolarHBondContact O-N 3.13Å; V219-S243 CarbonylContact O-C 3.3Å; V219-S243 WeakPolarHBondContact O-CA 3.49Å; V219-V244 HydrophobicContact CG2-CB 3.74Å; V219-V244 HydrophobicContact CG2-CG1 4.33Å; V219-V244 PolarHBondContact N-O 3.46Å; V219-V244 PolarHBondContact O-N 3.29Å; V219-L246 HydrophobicContact CG1-CD1 3.59Å; V219-L246 HydrophobicContact CG1-CG 4.19Å; V219-L246 HydrophobicContact CG2-CD1 4.25Å; V219-L246 HydrophobicContact CG2-CD2 4.41Å; V219-L246 HydrophobicContact CG2-CG 4.38Å; V219-L288 HydrophobicContact CG2-CD2 4.31Å; V219-S291 WeakPolarHBondContact CB-OG 3.38Å |
| 220 | Q | 92.3 | Very high | 89.7 | Confident | 158 Ų | 158 | 40.2 Ų | 40.2 | 74% | 0.738 | 19% | 0.186 | S | C | * | . | trans | -85 | 86.5 | 165.8 | -108.4 | -152.7 | 5.9 | 0 | 0 | 109.4 | P222 | Q220-P222 VanDerWaalsContact C-CD 3.4Å; Q220-P222 WeakPolarHBondContact O-CD 3.26Å | ||
| 221 | A | 91.4 | Very high | 90 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | trans | -122.1 | 67 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V219 W223 M224 V244 L288 | V219-A221 HydrophobicContact CG2-CB 3.78Å; V219-A221 PolarHBondContact O-N 3.13Å; A221-W223 HydrophobicContact CB-CD2 4.15Å; A221-W223 HydrophobicContact CB-CE3 4.48Å; A221-W223 HydrophobicContact CB-CH2 3.97Å; A221-W223 HydrophobicContact CB-CZ2 3.59Å; A221-W223 HydrophobicContact CB-CZ3 4.4Å; A221-W223 PolarHBondContact O-N 3.02Å; A221-M224 HydrophobicContact CB-CG 3.9Å; A221-M224 WeakPolarHBondContact O-CB 3.12Å; A221-M224 WeakPolarHBondContact O-CG 3.44Å; A221-M224 PolarHBondContact O-N 3.26Å; A221-V244 HydrophobicContact CB-CB 4.38Å; A221-V244 HydrophobicContact CB-CG2 3.97Å; A221-V244 WeakPolarHBondContact O-CG2 3.3Å; A221-L288 HydrophobicContact CB-CD2 3.35Å | ||
| 222 | P | 90.2 | Very high | 90 | Very high | 91 Ų | 91 | 42.6 Ų | 42.6 | 59% | 0.591 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7 | -175.1 | 28 | -36.8 | 0 | 0 | 0 | 114.2 | Q220 K225 | Q220-P222 VanDerWaalsContact C-CD 3.4Å; Q220-P222 WeakPolarHBondContact O-CD 3.26Å; P222-K225 WeakPolarHBondContact O-CE 3.44Å; P222-K225 PolarHBondContact O-NZ 3.07Å |
| 223 | W | 90.9 | Very high | 90 | Very high | 148 Ų | 148 | 44.7 Ų | 44.7 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.2 | 169.2 | 54.2 | 94.9 | 0 | 0 | 0 | 113.4 | A221 K225 L288 | A221-W223 HydrophobicContact CB-CD2 4.15Å; A221-W223 HydrophobicContact CB-CE3 4.48Å; A221-W223 HydrophobicContact CB-CH2 3.97Å; A221-W223 HydrophobicContact CB-CZ2 3.59Å; A221-W223 HydrophobicContact CB-CZ3 4.4Å; A221-W223 PolarHBondContact O-N 3.02Å; W223-K225 PolarHBondContact O-N 2.93Å; W223-L288 HydrophobicContact CZ2-CD2 4.28Å |
| 224 | M | 94 | Very high | 90.1 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | trans | -65.7 | 134.6 | 177.8 | -62.1 | -56.2 | -69.9 | 0 | 0 | 111.7 | A221 F226 T239 V244 W284 L288 | A221-M224 HydrophobicContact CB-CG 3.9Å; A221-M224 WeakPolarHBondContact O-CB 3.12Å; A221-M224 WeakPolarHBondContact O-CG 3.44Å; A221-M224 PolarHBondContact O-N 3.26Å; M224-F226 HydrophobicContact CE-CE2 4.27Å; M224-F226 HydrophobicContact CE-CZ 4.35Å; M224-T239 HydrophobicContact CB-CG2 3.59Å; M224-V244 HydrophobicContact CB-CG1 4.45Å; M224-V244 HydrophobicContact CB-CG2 3.74Å; M224-V244 HydrophobicContact CG-CG1 4.17Å; M224-V244 HydrophobicContact CG-CG2 3.87Å; M224-W284 HydrophobicContact CE-CE3 4.06Å; M224-W284 HydrophobicContact CE-CH2 3.78Å; M224-W284 HydrophobicContact CE-CZ2 4.39Å; M224-W284 HydrophobicContact CE-CZ3 3.59Å; M224-W284 HydrophobicContact SD-CE3 4.25Å; M224-W284 HydrophobicContact SD-CH2 3.28Å; M224-W284 WeakPolarHBondContact SD-CH2 3.29Å; M224-W284 HydrophobicContact SD-CZ2 4.32Å; M224-W284 HydrophobicContact SD-CZ3 3.23Å; M224-W284 WeakPolarHBondContact SD-CZ3 3.33Å; M224-L288 HydrophobicContact CE-CD1 4.21Å; M224-L288 HydrophobicContact CG-CD2 4.08Å; M224-L288 HydrophobicContact SD-CD1 4.22Å; M224-L288 HydrophobicContact SD-CD2 4.15Å | ||
| 225 | K | 93.2 | Very high | 90.6 | Very high | 140 Ų | 140 | 44.9 Ų | 44.9 | 61% | 0.609 | 22% | 0.215 | S | C | * | . | trans | -131.4 | -3.9 | 178.5 | -57 | -65.3 | 149.5 | -122.9 | 0 | 113.9 | P222 W223 | P222-K225 WeakPolarHBondContact O-CE 3.44Å; P222-K225 PolarHBondContact O-NZ 3.07Å; W223-K225 PolarHBondContact O-N 2.93Å | ||
| 226 | F | 95.3 | Very high | 91 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | trans | -135.6 | 163.2 | 174.9 | 62.5 | -95.1 | 0 | 0 | 0 | 109.4 | P93 Y95 I126 F128 M224 F228 W284 | P93-F226 HydrophobicContact CB-CB 4.13Å; P93-F226 CarbonylContact O-C 3.25Å; P93-F226 WeakPolarHBondContact O-CA 3.32Å; P93-F226 WeakPolarHBondContact O-CB 3.47Å; Y95-F226 HydrophobicContact CD2-CB 4.45Å; Y95-F226 AromaticContact CD2-CD2 3.68Å; Y95-F226 HydrophobicContact CD2-CD2 3.68Å; Y95-F226 HydrophobicContact CD2-CE2 4.21Å; Y95-F226 HydrophobicContact CD2-CG 4.25Å; Y95-F226 HydrophobicContact CE2-CB 4.02Å; Y95-F226 HydrophobicContact CE2-CD1 4.42Å; Y95-F226 AromaticContact CE2-CD2 3.61Å; Y95-F226 HydrophobicContact CE2-CD2 3.61Å; Y95-F226 HydrophobicContact CE2-CE2 4.13Å; Y95-F226 AromaticContact CE2-CG 3.77Å; Y95-F226 HydrophobicContact CE2-CG 3.77Å; I126-F226 HydrophobicContact CG2-CE1 4.4Å; I126-F226 HydrophobicContact CG2-CE2 4.27Å; I126-F226 HydrophobicContact CG2-CZ 3.84Å; F128-F226 HydrophobicContact CE1-CE2 4.48Å; F128-F226 AromaticContact CZ-CE2 3.99Å; F128-F226 HydrophobicContact CZ-CE2 3.99Å; M224-F226 HydrophobicContact CE-CE2 4.27Å; M224-F226 HydrophobicContact CE-CZ 4.35Å; F226-F228 HydrophobicContact CE2-CD1 4.25Å; F226-W284 HydrophobicContact CE1-CZ2 4.38Å; F226-W284 AromaticContact CZ-CE2 3.76Å; F226-W284 AromaticContact CZ-CZ2 3.76Å; F226-W284 HydrophobicContact CZ-CZ2 3.76Å; F226-W284 AromaticContact CZ-NE1 3.76Å | ||
| 227 | G | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 171.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H92 P93 T94 Y95 C237 | H92-G227 PolarHBondContact CE1-N 3.4Å; H92-G227 WeakPolarHBondContact NE2-CA 3.23Å; H92-G227 PolarHBondContact NE2-N 3.26Å; P93-G227 PolarHBondContact O-N 2.95Å; T94-G227 WeakPolarHBondContact CA-O 3.45Å; Y95-G227 PolarHBondContact N-O 2.93Å; G227-C237 CarbonylContact C-O 3.34Å; G227-C237 WeakPolarHBondContact CA-O 3.2Å |
| 228 | F | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 155.1 | 171.8 | 58.1 | -98.1 | 0 | 0 | 0 | 112.4 | Y95 L97 F128 F226 Y236 C237 I280 T283 W284 | Y95-F228 CarbonylContact O-C 2.75Å; Y95-F228 WeakPolarHBondContact O-CA 3.5Å; L97-F228 HydrophobicContact CD1-CB 4.04Å; L97-F228 HydrophobicContact CD1-CD2 4.06Å; L97-F228 HydrophobicContact CD1-CG 4.23Å; L97-F228 HydrophobicContact CG-CB 4.32Å; F128-F228 HydrophobicContact CE1-CB 4.05Å; F128-F228 AromaticContact CE1-CD1 3.71Å; F128-F228 HydrophobicContact CE1-CD1 3.71Å; F128-F228 HydrophobicContact CE1-CE1 4.22Å; F128-F228 AromaticContact CE1-CG 3.89Å; F128-F228 HydrophobicContact CE1-CG 3.89Å; F128-F228 HydrophobicContact CZ-CB 4.14Å; F128-F228 HydrophobicContact CZ-CD1 4.26Å; F128-F228 HydrophobicContact CZ-CG 4.42Å; F226-F228 HydrophobicContact CE2-CD1 4.25Å; F228-Y236 CarbonylContact O-C 3.56Å; F228-Y236 VanDerWaalsContact O-CA 3.24Å; F228-Y236 WeakPolarHBondContact O-CA 3.42Å; F228-Y236 WeakPolarHBondContact O-CB 3.31Å; F228-C237 HydrophobicContact CD1-CB 3.8Å; F228-C237 HydrophobicContact CD2-CB 4.12Å; F228-C237 HydrophobicContact CE1-CB 3.45Å; F228-C237 VanDerWaalsContact CE1-CB 3.45Å; F228-C237 HydrophobicContact CE2-CB 3.78Å; F228-C237 HydrophobicContact CG-CB 4.14Å; F228-C237 HydrophobicContact CZ-CB 3.44Å; F228-C237 VanDerWaalsContact CZ-CB 3.44Å; F228-C237 PolarHBondContact N-O 2.67Å; F228-C237 PolarHBondContact O-N 3.27Å; F228-I280 HydrophobicContact CE2-CD1 4.06Å; F228-I280 HydrophobicContact CZ-CD1 4.19Å; F228-I280 HydrophobicContact CZ-CG2 4.35Å; F228-T283 HydrophobicContact CD2-CG2 4.19Å; F228-T283 HydrophobicContact CE2-CG2 3.77Å; F228-T283 HydrophobicContact CZ-CG2 4.42Å; F228-W284 HydrophobicContact CE1-CB 3.77Å; F228-W284 HydrophobicContact CE1-CD2 4.34Å; F228-W284 HydrophobicContact CE1-CE3 4.45Å; F228-W284 HydrophobicContact CE1-CG 4.05Å; F228-W284 HydrophobicContact CZ-CB 3.79Å |
| 229 | Y | 94.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.2 | 167 | 172.4 | -81.6 | 0 | 0 | 0 | 109 | Y95 Q96 L97 D234 T235 Y236 | Y95-Y229 PolarHBondContact O-N 2.99Å; Q96-Y229 CarbonylContact C-O 3.59Å; Q96-Y229 WeakPolarHBondContact CA-O 3.37Å; Q96-Y229 VanDerWaalsContact NE2-CD1 3.33Å; L97-Y229 PolarHBondContact N-O 3.48Å; Y229-D234 PolarHBondContact OH-OD1 2.91Å; Y229-T235 CarbonylContact C-O 3.56Å; Y229-T235 WeakPolarHBondContact CA-O 3.34Å; Y229-Y236 HydrophobicContact CD2-CD1 4.43Å |
| 230 | F | 93.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.2 | -179.5 | 177.8 | -153.8 | 0 | 0 | 0 | 109.4 | L97 E99 H131 I132 R232 T235 T283 | L97-F230 HydrophobicContact CB-CB 4.17Å; L97-F230 HydrophobicContact CB-CD2 4.1Å; L97-F230 HydrophobicContact CB-CG 4.41Å; L97-F230 HydrophobicContact CD1-CB 4.33Å; E99-F230 HydrophobicContact CG-CE2 3.87Å; E99-F230 HydrophobicContact CG-CZ 3.7Å; H131-F230 AromaticContact CD2-CZ 3.98Å; H131-F230 AromaticContact NE2-CE1 3.74Å; H131-F230 AromaticContact NE2-CZ 3.86Å; I132-F230 HydrophobicContact CD1-CD1 4.29Å; I132-F230 HydrophobicContact CD1-CD2 3.87Å; I132-F230 HydrophobicContact CD1-CE1 3.98Å; I132-F230 HydrophobicContact CD1-CE2 3.55Å; I132-F230 HydrophobicContact CD1-CG 4.25Å; I132-F230 HydrophobicContact CD1-CZ 3.6Å; F230-R232 VanDerWaalsContact C-N 3.34Å; F230-R232 HydrophobicContact CD1-CB 4.5Å; F230-R232 HydrophobicContact CD2-CB 4.13Å; F230-R232 HydrophobicContact CE1-CB 4.01Å; F230-R232 HydrophobicContact CE2-CB 3.57Å; F230-R232 HydrophobicContact CZ-CB 3.51Å; F230-R232 HydrophobicContact CZ-CG 4.17Å; F230-R232 PolarHBondContact O-N 3.22Å; F230-T235 PolarHBondContact N-O 3.08Å; F230-T235 PolarHBondContact O-N 2.88Å; F230-T283 HydrophobicContact CB-CG2 4.3Å; F230-T283 HydrophobicContact CD1-CG2 3.96Å; F230-T283 HydrophobicContact CG-CG2 4.39Å |
| 231 | G | 85 | Confident | 91.8 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -29.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L97 D233 | L97-G231 PolarHBondContact O-N 3Å; G231-D233 PolarHBondContact O-N 3.21Å |
| 232 | R | 83.7 | Confident | 91.7 | Very high | 148 Ų | 148 | 49.1 Ų | 49.1 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -58.7 | -174.6 | -179.8 | -150.7 | 170.3 | 123.8 | 3.5 | 113.1 | E99 F230 | E99-R232 VanDerWaalsContact CD-NH1 3.34Å; E99-R232 IonicContact OE1-CZ 3.77Å; E99-R232 IonicContact OE1-NH1 2.64Å; E99-R232 PolarHBondContact OE1-NH1 2.9Å; E99-R232 VanDerWaalsContact OE2-CD 3.25Å; E99-R232 WeakPolarHBondContact OE2-CD 3.29Å; E99-R232 WeakPolarHBondContact OE2-CG 3.24Å; E99-R232 IonicContact OE2-CZ 3.83Å; E99-R232 IonicContact OE2-NE 3.92Å; E99-R232 IonicContact OE2-NH1 3.24Å; E99-R232 PolarHBondContact OE2-NH1 3.43Å; F230-R232 VanDerWaalsContact C-N 3.34Å; F230-R232 HydrophobicContact CD1-CB 4.5Å; F230-R232 HydrophobicContact CD2-CB 4.13Å; F230-R232 HydrophobicContact CE1-CB 4.01Å; F230-R232 HydrophobicContact CE2-CB 3.57Å; F230-R232 HydrophobicContact CZ-CB 3.51Å; F230-R232 HydrophobicContact CZ-CG 4.17Å; F230-R232 PolarHBondContact O-N 3.22Å |
| 233 | D | 82.5 | Confident | 91.8 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 32.6 | -174.6 | -60.2 | -29.2 | 0 | 0 | 0 | 111 | G231 T235 | G231-D233 PolarHBondContact O-N 3.21Å; D233-T235 PolarHBondContact O-N 3.11Å; D233-T235 PolarHBondContact O-OG1 3.34Å |
| 234 | D | 85.1 | Confident | 91.9 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 20.3 | -179.2 | -124.7 | -55.7 | 0 | 0 | 0 | 114 | Y229 Y236 G248 R250 | Y229-D234 PolarHBondContact OH-OD1 2.91Å; D234-Y236 VanDerWaalsContact O-CD1 3.29Å; D234-Y236 WeakPolarHBondContact O-CD1 3.3Å; D234-G248 WeakPolarHBondContact O-CA 3.46Å; D234-R250 VanDerWaalsContact CG-NH2 3.3Å; D234-R250 IonicContact OD1-CZ 3.59Å; D234-R250 IonicContact OD1-NE 2.73Å; D234-R250 IonicContact OD1-NH2 3.97Å; D234-R250 PolarHBondContact OD1-NH2 3.49Å; D234-R250 IonicContact OD2-CZ 3.65Å; D234-R250 IonicContact OD2-NE 3.62Å; D234-R250 PolarHBondContact OD2-NE 2.99Å; D234-R250 IonicContact OD2-NH2 3.58Å; D234-R250 PolarHBondContact OD2-NH2 3.18Å; D234-R250 VanDerWaalsContact OD2-NH2 3.12Å |
| 235 | T | 92.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.7 | -160.2 | -71.4 | 0 | 0 | 0 | 0 | 111 | Y229 F230 D233 G247 R279 I280 | Y229-T235 CarbonylContact C-O 3.56Å; Y229-T235 WeakPolarHBondContact CA-O 3.34Å; F230-T235 PolarHBondContact N-O 3.08Å; F230-T235 PolarHBondContact O-N 2.88Å; D233-T235 PolarHBondContact O-N 3.11Å; D233-T235 PolarHBondContact O-OG1 3.34Å; T235-G247 WeakPolarHBondContact CA-O 3.24Å; T235-R279 HydrophobicContact CG2-CB 4.17Å; T235-R279 PolarHBondContact OG1-NE 2.9Å; T235-R279 PolarHBondContact OG1-NH2 2.92Å; T235-I280 HydrophobicContact CG2-CD1 3.66Å; T235-I280 HydrophobicContact CG2-CG1 4.28Å |
| 236 | Y | 94.3 | Very high | 91.8 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.153 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 157 | -175.1 | 57.7 | -105.4 | 0 | 0 | 0 | 114 | A45 L216 F228 Y229 D234 Y238 I245 L246 G247 I280 | A45-Y236 HydrophobicContact CB-CE2 4.13Å; L216-Y236 HydrophobicContact CB-CE2 4.35Å; F228-Y236 CarbonylContact O-C 3.56Å; F228-Y236 VanDerWaalsContact O-CA 3.24Å; F228-Y236 WeakPolarHBondContact O-CA 3.42Å; F228-Y236 WeakPolarHBondContact O-CB 3.31Å; Y229-Y236 HydrophobicContact CD2-CD1 4.43Å; D234-Y236 VanDerWaalsContact O-CD1 3.29Å; D234-Y236 WeakPolarHBondContact O-CD1 3.3Å; Y236-Y238 VanDerWaalsContact CB-CE2 3.49Å; Y236-Y238 VanDerWaalsContact CB-CZ 3.45Å; Y236-Y238 WeakPolarHBondContact CB-OH 3.36Å; Y236-Y238 HydrophobicContact CD1-CE2 4.14Å; Y236-Y238 AromaticContact CD2-CD2 3.46Å; Y236-Y238 HydrophobicContact CD2-CD2 3.46Å; Y236-Y238 VanDerWaalsContact CD2-CD2 3.46Å; Y236-Y238 AromaticContact CD2-CE2 3.21Å; Y236-Y238 HydrophobicContact CD2-CE2 3.21Å; Y236-Y238 HydrophobicContact CE2-CD2 4.07Å; Y236-Y238 AromaticContact CE2-CE2 3.89Å; Y236-Y238 HydrophobicContact CE2-CE2 3.89Å; Y236-Y238 HydrophobicContact CG-CD2 4.05Å; Y236-Y238 AromaticContact CG-CE2 3.36Å; Y236-Y238 HydrophobicContact CG-CE2 3.36Å; Y236-Y238 AromaticContact CG-CZ 3.84Å; Y236-I245 HydrophobicContact CE2-CG2 4.45Å; Y236-L246 CarbonylContact O-C 3.5Å; Y236-L246 WeakPolarHBondContact O-CA 3.02Å; Y236-G247 PolarHBondContact N-O 3.03Å; Y236-G247 PolarHBondContact O-N 3.43Å; Y236-I280 VanDerWaalsContact O-CD1 3.23Å; Y236-I280 WeakPolarHBondContact O-CD1 3.44Å |
| 237 | C | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 123.9 | 172 | 173.8 | 0 | 0 | 0 | 0 | 107.8 | G227 F228 V244 I245 L246 I280 | G227-C237 CarbonylContact C-O 3.34Å; G227-C237 WeakPolarHBondContact CA-O 3.2Å; F228-C237 HydrophobicContact CD1-CB 3.8Å; F228-C237 HydrophobicContact CD2-CB 4.12Å; F228-C237 HydrophobicContact CE1-CB 3.45Å; F228-C237 VanDerWaalsContact CE1-CB 3.45Å; F228-C237 HydrophobicContact CE2-CB 3.78Å; F228-C237 HydrophobicContact CG-CB 4.14Å; F228-C237 HydrophobicContact CZ-CB 3.44Å; F228-C237 VanDerWaalsContact CZ-CB 3.44Å; F228-C237 PolarHBondContact N-O 2.67Å; F228-C237 PolarHBondContact O-N 3.27Å; C237-V244 WeakPolarHBondContact SG-CG1 3.23Å; C237-I245 CarbonylContact C-O 3.5Å; C237-I245 WeakPolarHBondContact CA-O 3.45Å; C237-L246 HydrophobicContact CB-CD2 3.77Å; C237-L246 WeakPolarHBondContact SG-CD2 3.48Å; C237-I280 HydrophobicContact CB-CD1 4.21Å |
| 238 | Y | 95.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.1 | -179.1 | -53 | -59.5 | 0 | 0 | 0 | 111.1 | A45 I47 H92 I142 Y236 G240 V244 I245 | A45-Y238 HydrophobicContact CB-CD2 3.59Å; A45-Y238 HydrophobicContact CB-CE2 3.95Å; I47-Y238 HydrophobicContact CB-CD1 4.48Å; I47-Y238 HydrophobicContact CB-CD2 4.48Å; I47-Y238 HydrophobicContact CB-CE1 4.39Å; I47-Y238 HydrophobicContact CB-CE2 4.32Å; I47-Y238 HydrophobicContact CD1-CD1 3.56Å; I47-Y238 HydrophobicContact CD1-CE1 3.25Å; I47-Y238 HydrophobicContact CD1-CG 4.38Å; I47-Y238 HydrophobicContact CG1-CE1 4.38Å; I47-Y238 HydrophobicContact CG2-CD2 4.33Å; I47-Y238 HydrophobicContact CG2-CE1 4.24Å; I47-Y238 HydrophobicContact CG2-CE2 3.73Å; H92-Y238 WeakPolarHBondContact NE2-CA 3.07Å; H92-Y238 AromaticContact NE2-CD1 3.8Å; I142-Y238 HydrophobicContact CD1-CG 4.47Å; Y236-Y238 VanDerWaalsContact CB-CE2 3.49Å; Y236-Y238 VanDerWaalsContact CB-CZ 3.45Å; Y236-Y238 WeakPolarHBondContact CB-OH 3.36Å; Y236-Y238 HydrophobicContact CD1-CE2 4.14Å; Y236-Y238 AromaticContact CD2-CD2 3.46Å; Y236-Y238 HydrophobicContact CD2-CD2 3.46Å; Y236-Y238 VanDerWaalsContact CD2-CD2 3.46Å; Y236-Y238 AromaticContact CD2-CE2 3.21Å; Y236-Y238 HydrophobicContact CD2-CE2 3.21Å; Y236-Y238 HydrophobicContact CE2-CD2 4.07Å; Y236-Y238 AromaticContact CE2-CE2 3.89Å; Y236-Y238 HydrophobicContact CE2-CE2 3.89Å; Y236-Y238 HydrophobicContact CG-CD2 4.05Å; Y236-Y238 AromaticContact CG-CE2 3.36Å; Y236-Y238 HydrophobicContact CG-CE2 3.36Å; Y236-Y238 AromaticContact CG-CZ 3.84Å; Y238-G240 PolarHBondContact O-N 2.94Å; Y238-V244 CarbonylContact O-C 3.53Å; Y238-V244 WeakPolarHBondContact O-CA 3.47Å; Y238-V244 WeakPolarHBondContact O-CG1 3.26Å; Y238-I245 PolarHBondContact N-O 2.82Å; Y238-I245 PolarHBondContact O-N 3.25Å |
| 239 | T | 94.1 | Very high | 90.3 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 102.5 | -179.1 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | Y90 H92 M224 V244 | Y90-T239 WeakPolarHBondContact CE2-O 3.47Å; Y90-T239 PolarHBondContact OH-O 3.38Å; H92-T239 PolarHBondContact CE1-N 2.88Å; H92-T239 PolarHBondContact CE1-OG1 2.94Å; H92-T239 PolarHBondContact ND1-OG1 2.93Å; H92-T239 PolarHBondContact NE2-N 3.05Å; M224-T239 HydrophobicContact CB-CG2 3.59Å; T239-V244 HydrophobicContact CG2-CG2 4.36Å |
| 240 | G | 91.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | trans | -72.8 | 175.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y90 E144 Y238 S243 | Y90-G240 VanDerWaalsContact OH-C 3.23Å; Y90-G240 VanDerWaalsContact OH-CA 3.22Å; Y90-G240 WeakPolarHBondContact OH-CA 3.46Å; E144-G240 WeakPolarHBondContact OE2-CA 3.33Å; Y238-G240 PolarHBondContact O-N 2.94Å; G240-S243 CarbonylContact C-O 3.52Å; G240-S243 WeakPolarHBondContact CA-O 3.26Å; G240-S243 PolarHBondContact N-O 2.86Å | ||
| 241 | K | 90.5 | Very high | 89.1 | Confident | 82 Ų | 82 | 39.6 Ų | 39.6 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -68.7 | -40.3 | -173 | -175.5 | -175.2 | 172.1 | -175.8 | 0 | 112.9 | S85 Y90 E144 Y147 | S85-K241 PolarHBondContact O-NZ 3.36Å; Y90-K241 HydrophobicContact CE1-CB 4.2Å; Y90-K241 PolarHBondContact OH-N 3.23Å; E144-K241 WeakPolarHBondContact OE2-CB 3.5Å; E144-K241 PolarHBondContact OE2-N 2.98Å; Y147-K241 HydrophobicContact CD1-CD 4.3Å; Y147-K241 HydrophobicContact CD2-CD 4.16Å; Y147-K241 HydrophobicContact CE1-CD 4.02Å; Y147-K241 HydrophobicContact CE2-CB 3.89Å; Y147-K241 HydrophobicContact CE2-CD 3.9Å; Y147-K241 HydrophobicContact CG-CD 4.37Å |
| 242 | E | 89.6 | Confident | 89 | Confident | 127 Ų | 127 | 46.7 Ų | 46.7 | 59% | 0.593 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -122.9 | -5.6 | -176.3 | -71.3 | 166.1 | -139 | 0 | 0 | 112.7 | Y147 | Y147-E242 WeakPolarHBondContact CE1-OE1 3.39Å; Y147-E242 PolarHBondContact OH-OE1 3.29Å; Y147-E242 PolarHBondContact OH-OE2 2.85Å |
| 243 | S | 92.1 | Very high | 88.9 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -155.6 | 148.5 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 111 | R218 V219 G240 | R218-S243 PolarHBondContact NH1-OG 3.09Å; V219-S243 CarbonylContact O-C 3.3Å; V219-S243 WeakPolarHBondContact O-CA 3.49Å; G240-S243 CarbonylContact C-O 3.52Å; G240-S243 WeakPolarHBondContact CA-O 3.26Å; G240-S243 PolarHBondContact N-O 2.86Å |
| 244 | V | 92.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.8 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 109 | R218 V219 A221 M224 C237 Y238 T239 L246 | R218-V244 CarbonylContact C-O 3.59Å; R218-V244 VanDerWaalsContact CA-O 3.26Å; R218-V244 WeakPolarHBondContact CA-O 3.22Å; V219-V244 HydrophobicContact CG2-CB 3.74Å; V219-V244 HydrophobicContact CG2-CG1 4.33Å; V219-V244 PolarHBondContact N-O 3.46Å; V219-V244 PolarHBondContact O-N 3.29Å; A221-V244 HydrophobicContact CB-CB 4.38Å; A221-V244 HydrophobicContact CB-CG2 3.97Å; A221-V244 WeakPolarHBondContact O-CG2 3.3Å; M224-V244 HydrophobicContact CB-CG1 4.45Å; M224-V244 HydrophobicContact CB-CG2 3.74Å; M224-V244 HydrophobicContact CG-CG1 4.17Å; M224-V244 HydrophobicContact CG-CG2 3.87Å; C237-V244 WeakPolarHBondContact SG-CG1 3.23Å; Y238-V244 CarbonylContact O-C 3.53Å; Y238-V244 WeakPolarHBondContact O-CA 3.47Å; Y238-V244 WeakPolarHBondContact O-CG1 3.26Å; T239-V244 HydrophobicContact CG2-CG2 4.36Å; V244-L246 HydrophobicContact CG1-CD2 3.91Å |
| 245 | I | 92.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109.7 | -166.5 | -57.6 | 154 | 0 | 0 | 0 | 109.5 | A45 L216 V217 R218 Y236 C237 Y238 | A45-I245 HydrophobicContact CB-CG2 3.81Å; L216-I245 HydrophobicContact CB-CG2 4.37Å; L216-I245 HydrophobicContact CD1-CG2 3.88Å; L216-I245 HydrophobicContact CD2-CG2 3.74Å; L216-I245 HydrophobicContact CG-CG2 4.23Å; V217-I245 CarbonylContact O-C 3.28Å; V217-I245 WeakPolarHBondContact O-CA 3.09Å; R218-I245 HydrophobicContact CG-CG1 3.96Å; Y236-I245 HydrophobicContact CE2-CG2 4.45Å; C237-I245 CarbonylContact C-O 3.5Å; C237-I245 WeakPolarHBondContact CA-O 3.45Å; Y238-I245 PolarHBondContact N-O 2.82Å; Y238-I245 PolarHBondContact O-N 3.25Å |
| 246 | L | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.8 | -178 | -36 | 174.8 | 0 | 0 | 0 | 110.8 | L216 V217 V219 Y236 C237 V244 I276 L277 I280 L288 | L216-L246 CarbonylContact C-O 3.5Å; L216-L246 VanDerWaalsContact C-O 3.28Å; L216-L246 WeakPolarHBondContact CA-O 3.22Å; L216-L246 WeakPolarHBondContact CB-O 3.14Å; V217-L246 HydrophobicContact CB-CB 3.76Å; V217-L246 HydrophobicContact CB-CD1 3.97Å; V217-L246 HydrophobicContact CB-CG 3.92Å; V217-L246 HydrophobicContact CG1-CD1 4.24Å; V217-L246 HydrophobicContact CG2-CB 3.88Å; V217-L246 HydrophobicContact CG2-CD1 4.1Å; V217-L246 HydrophobicContact CG2-CG 4.35Å; V217-L246 PolarHBondContact N-O 3Å; V217-L246 PolarHBondContact O-N 3.3Å; V219-L246 HydrophobicContact CG1-CD1 3.59Å; V219-L246 HydrophobicContact CG1-CG 4.19Å; V219-L246 HydrophobicContact CG2-CD1 4.25Å; V219-L246 HydrophobicContact CG2-CD2 4.41Å; V219-L246 HydrophobicContact CG2-CG 4.38Å; Y236-L246 CarbonylContact O-C 3.5Å; Y236-L246 WeakPolarHBondContact O-CA 3.02Å; C237-L246 HydrophobicContact CB-CD2 3.77Å; C237-L246 WeakPolarHBondContact SG-CD2 3.48Å; V244-L246 HydrophobicContact CG1-CD2 3.91Å; L246-I276 HydrophobicContact CB-CG2 4.14Å; L246-L277 HydrophobicContact CD1-CD2 4.25Å; L246-I280 HydrophobicContact CB-CD1 4.02Å; L246-I280 HydrophobicContact CB-CG1 3.98Å; L246-I280 HydrophobicContact CD1-CB 4.48Å; L246-I280 HydrophobicContact CD1-CG1 4.18Å; L246-I280 HydrophobicContact CD1-CG2 4.21Å; L246-I280 HydrophobicContact CD2-CD1 4.39Å; L246-I280 HydrophobicContact CD2-CG2 4.39Å; L246-I280 HydrophobicContact CG-CG1 4.48Å; L246-L288 HydrophobicContact CD1-CB 4.13Å; L246-L288 HydrophobicContact CD2-CD1 4.09Å |
| 247 | G | 88.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -152.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | T235 Y236 R279 | T235-G247 WeakPolarHBondContact CA-O 3.24Å; Y236-G247 PolarHBondContact N-O 3.03Å; Y236-G247 PolarHBondContact O-N 3.43Å; G247-R279 PolarHBondContact O-NH2 2.85Å |
| 248 | G | 82.7 | Confident | 87.1 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.7 | 37.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | D234 R279 | D234-G248 WeakPolarHBondContact O-CA 3.46Å; G248-R279 VanDerWaalsContact C-NH2 3.29Å; G248-R279 PolarHBondContact O-NH2 3.4Å |
| 249 | F | 85.1 | Confident | 86.5 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.7 | 168.5 | 179 | -93 | 0 | 0 | 0 | 109.7 | K213 Q215 E251 S272 I276 | K213-F249 HydrophobicContact CD-CE1 4.26Å; Q215-F249 HydrophobicContact CB-CB 3.73Å; Q215-F249 HydrophobicContact CB-CD1 3.43Å; Q215-F249 VanDerWaalsContact CB-CD1 3.43Å; Q215-F249 HydrophobicContact CB-CE1 4.25Å; Q215-F249 HydrophobicContact CB-CG 3.77Å; F249-E251 HydrophobicContact CE1-CB 3.61Å; F249-E251 HydrophobicContact CZ-CB 3.68Å; F249-S272 WeakPolarHBondContact CE2-OG 3.26Å; F249-I276 HydrophobicContact CB-CD1 4.08Å; F249-I276 HydrophobicContact CB-CG1 4.42Å |
| 250 | R | 82.9 | Confident | 85.7 | Confident | 89 Ų | 89 | 52.5 Ų | 52.5 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.1 | 171.5 | -60.9 | -172.3 | -164.2 | -101.4 | 1.8 | 109.1 | V212 K213 D234 | V212-R250 HydrophobicContact CG1-CB 3.97Å; V212-R250 HydrophobicContact CG1-CG 4.32Å; K213-R250 CarbonylContact O-C 3.49Å; K213-R250 WeakPolarHBondContact O-CA 3.48Å; D234-R250 VanDerWaalsContact CG-NH2 3.3Å; D234-R250 IonicContact OD1-CZ 3.59Å; D234-R250 IonicContact OD1-NE 2.73Å; D234-R250 IonicContact OD1-NH2 3.97Å; D234-R250 PolarHBondContact OD1-NH2 3.49Å; D234-R250 IonicContact OD2-CZ 3.65Å; D234-R250 IonicContact OD2-NE 3.62Å; D234-R250 PolarHBondContact OD2-NE 2.99Å; D234-R250 IonicContact OD2-NH2 3.58Å; D234-R250 PolarHBondContact OD2-NH2 3.18Å; D234-R250 VanDerWaalsContact OD2-NH2 3.12Å |
| 251 | E | 81.8 | Confident | 85 | Confident | 77 Ų | 77 | 53.5 Ų | 53.5 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.1 | 172.6 | 171.7 | 174.7 | -161.7 | 0 | 0 | 108.2 | K213 F249 L253 | K213-E251 HydrophobicContact CB-CB 4.2Å; K213-E251 HydrophobicContact CD-CB 4.16Å; K213-E251 HydrophobicContact CD-CG 4.4Å; K213-E251 WeakPolarHBondContact CD-OE2 3.43Å; K213-E251 PolarHBondContact N-O 3.02Å; K213-E251 IonicContact NZ-OE2 3.27Å; K213-E251 PolarHBondContact NZ-OE2 3.16Å; K213-E251 PolarHBondContact O-N 2.68Å; F249-E251 HydrophobicContact CE1-CB 3.61Å; F249-E251 HydrophobicContact CZ-CB 3.68Å; E251-L253 HydrophobicContact CG-CD2 4.17Å; E251-L253 PolarHBondContact O-N 3.32Å |
| 252 | Y | 82.9 | Confident | 84.5 | Confident | 188 Ų | 188 | 52.2 Ų | 52.2 | 74% | 0.737 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.7 | 178.4 | -69.7 | -84.5 | 0 | 0 | 0 | 109.4 | V212 | V212-Y252 HydrophobicContact CG2-CD1 3.74Å; V212-Y252 HydrophobicContact CG2-CE1 3.75Å |
| 253 | L | 82 | Confident | 84 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 162.8 | -177.2 | -68 | 175.9 | 0 | 0 | 0 | 111.5 | P211 K213 E251 D265 | P211-L253 HydrophobicContact CB-CB 4.02Å; P211-L253 HydrophobicContact CB-CD1 4.39Å; P211-L253 HydrophobicContact CG-CB 3.76Å; P211-L253 PolarHBondContact O-N 3.04Å; K213-L253 HydrophobicContact CB-CD1 3.81Å; K213-L253 HydrophobicContact CB-CG 4.21Å; E251-L253 HydrophobicContact CG-CD2 4.17Å; E251-L253 PolarHBondContact O-N 3.32Å; L253-D265 HydrophobicContact CD1-CB 3.7Å |
| 254 | P | 81.1 | Confident | 83.5 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 144.8 | 175.6 | -24.9 | 35.1 | 0 | 0 | 0 | 112.6 | P211 V256 | P211-P254 WeakPolarHBondContact CD-O 3.47Å; P211-P254 WeakPolarHBondContact CG-O 3.49Å; P254-V256 PolarHBondContact O-N 3.48Å |
| 255 | S | 83.1 | Confident | 82.9 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 140.6 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.8 | L257 S258 | S255-L257 PolarHBondContact O-N 2.87Å; S255-L257 PolarHBondContact OG-N 2.82Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 2.79Å |
| 256 | V | 82.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.5 | 178.2 | -73 | 0 | 0 | 0 | 0 | 114.2 | L198 L209 P211 P254 R259 | L198-V256 HydrophobicContact CB-CG1 4.19Å; L198-V256 HydrophobicContact CD2-CG1 4.21Å; L209-V256 HydrophobicContact CB-CG2 4.08Å; P211-V256 HydrophobicContact CG-CG1 4.17Å; P254-V256 PolarHBondContact O-N 3.48Å; V256-R259 CarbonylContact C-O 3.58Å; V256-R259 WeakPolarHBondContact CA-O 3.45Å; V256-R259 CarbonylContact O-C 3.47Å |
| 257 | L | 82.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 63.2 Ų | 63.2 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -25.5 | 170.9 | -60.3 | -175.6 | 0 | 0 | 0 | 113.4 | G201 P207 S255 | G201-L257 WeakPolarHBondContact O-CD2 3.14Å; P207-L257 HydrophobicContact CB-CD1 3.84Å; S255-L257 PolarHBondContact O-N 2.87Å; S255-L257 PolarHBondContact OG-N 2.82Å |
| 258 | S | 82.2 | Confident | 81.6 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -35.4 | 179 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | S255 | S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 2.79Å |
| 259 | R | 82.1 | Confident | 81.8 | Confident | 93 Ų | 93 | 67.9 Ų | 67.9 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -156.8 | 147.3 | 162.6 | 59.6 | 173.1 | -175.7 | 77.8 | -4.8 | 109.7 | V256 D265 | V256-R259 CarbonylContact C-O 3.58Å; V256-R259 WeakPolarHBondContact CA-O 3.45Å; V256-R259 CarbonylContact O-C 3.47Å; R259-D265 IonicContact CZ-OD1 3.48Å; R259-D265 IonicContact CZ-OD2 3.51Å; R259-D265 IonicContact NH1-OD1 2.97Å; R259-D265 PolarHBondContact NH1-OD1 3.31Å; R259-D265 IonicContact NH1-OD2 3.4Å; R259-D265 PolarHBondContact NH1-OD2 3.05Å; R259-D265 IonicContact NH2-OD1 2.67Å; R259-D265 PolarHBondContact NH2-OD1 3.5Å; R259-D265 IonicContact NH2-OD2 2.7Å |
| 260 | P | 77.6 | Confident | 82 | Confident | 57 Ų | 57 | 70 Ų | 70 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 152 | 165.9 | -21.7 | 33.4 | 0 | 0 | 0 | 111.2 | Y202 T262 | Y202-P260 HydrophobicContact CD1-CB 3.98Å; Y202-P260 HydrophobicContact CD1-CG 4.11Å; Y202-P260 HydrophobicContact CE1-CB 3.89Å; Y202-P260 HydrophobicContact CE1-CG 4.36Å; Y202-P260 HydrophobicContact CG-CG 4.47Å; P260-T262 PolarHBondContact O-N 2.94Å |
| 261 | S | 76.8 | Confident | 82.3 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -63 | 135 | 171.3 | -52 | 0 | 0 | 0 | 0 | 110.8 | R173 D265 | R173-S261 PolarHBondContact NH2-O 3.36Å; R173-S261 VanDerWaalsContact NH2-O 3.12Å; S261-D265 WeakPolarHBondContact CA-OD2 3.18Å |
| 262 | T | 80.8 | Confident | 82.6 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 173.9 | 174.3 | 70 | 0 | 0 | 0 | 0 | 110 | P260 D264 D265 | P260-T262 PolarHBondContact O-N 2.94Å; T262-D264 WeakPolarHBondContact CB-OD2 3.44Å; T262-D264 PolarHBondContact O-N 2.97Å; T262-D264 WeakPolarHBondContact OG1-CB 2.96Å; T262-D264 PolarHBondContact OG1-N 2.71Å; T262-D264 PolarHBondContact OG1-OD2 3.46Å; T262-D265 PolarHBondContact N-OD2 3.24Å; T262-D265 WeakPolarHBondContact O-CB 3.45Å; T262-D265 PolarHBondContact O-N 3.13Å |
| 263 | D | 78.8 | Confident | 82.7 | Confident | 95 Ų | 95 | 59.8 Ų | 59.8 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -73.9 | -19.8 | 175 | -61.8 | -36.4 | 0 | 0 | 0 | 111.6 | K34 D265 T266 | K34-D263 IonicContact NZ-OD1 3.62Å; K34-D263 PolarHBondContact NZ-OD1 2.68Å; D263-D265 VanDerWaalsContact C-N 3.28Å; D263-D265 PolarHBondContact O-N 3.34Å; D263-T266 PolarHBondContact O-N 2.97Å; D263-T266 PolarHBondContact O-OG1 3.02Å |
| 264 | D | 81.1 | Confident | 83.1 | Confident | 109 Ų | 109 | 63.6 Ų | 63.6 | 58% | 0.583 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -60.8 | -37 | 172.6 | -45.5 | -75.4 | 0 | 0 | 0 | 112.2 | T262 T266 I267 | T262-D264 WeakPolarHBondContact CB-OD2 3.44Å; T262-D264 PolarHBondContact O-N 2.97Å; T262-D264 WeakPolarHBondContact OG1-CB 2.96Å; T262-D264 PolarHBondContact OG1-N 2.71Å; T262-D264 PolarHBondContact OG1-OD2 3.46Å; D264-T266 PolarHBondContact O-N 2.77Å; D264-T266 VanDerWaalsContact O-N 3.13Å; D264-I267 HydrophobicContact CB-CD1 4.14Å; D264-I267 WeakPolarHBondContact O-CB 3.37Å; D264-I267 WeakPolarHBondContact O-CG1 3.2Å; D264-I267 PolarHBondContact O-N 2.97Å |
| 265 | D | 80.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -57.4 | -26.6 | 174.6 | -68.4 | -45.8 | 0 | 0 | 0 | 111.8 | K213 L253 R259 S261 T262 D263 | K213-D265 WeakPolarHBondContact CD-O 3.46Å; K213-D265 WeakPolarHBondContact CE-O 3.47Å; K213-D265 PolarHBondContact NZ-O 3.36Å; L253-D265 HydrophobicContact CD1-CB 3.7Å; R259-D265 IonicContact CZ-OD1 3.48Å; R259-D265 IonicContact CZ-OD2 3.51Å; R259-D265 IonicContact NH1-OD1 2.97Å; R259-D265 PolarHBondContact NH1-OD1 3.31Å; R259-D265 IonicContact NH1-OD2 3.4Å; R259-D265 PolarHBondContact NH1-OD2 3.05Å; R259-D265 IonicContact NH2-OD1 2.67Å; R259-D265 PolarHBondContact NH2-OD1 3.5Å; R259-D265 IonicContact NH2-OD2 2.7Å; S261-D265 WeakPolarHBondContact CA-OD2 3.18Å; T262-D265 PolarHBondContact N-OD2 3.24Å; T262-D265 WeakPolarHBondContact O-CB 3.45Å; T262-D265 PolarHBondContact O-N 3.13Å; D263-D265 VanDerWaalsContact C-N 3.28Å; D263-D265 PolarHBondContact O-N 3.34Å |
| 266 | T | 78.9 | Confident | 83.5 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -95.1 | 3.9 | 180 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | D263 D264 V268 | D263-T266 PolarHBondContact O-N 2.97Å; D263-T266 PolarHBondContact O-OG1 3.02Å; D264-T266 PolarHBondContact O-N 2.77Å; D264-T266 VanDerWaalsContact O-N 3.13Å; T266-V268 PolarHBondContact O-N 2.88Å |
| 267 | I | 83.4 | Confident | 83.7 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 52% | 0.523 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 122.2 | 178.5 | -69.8 | 170.6 | 0 | 0 | 0 | 110.4 | K213 D264 S269 | K213-I267 WeakPolarHBondContact CE-O 3.31Å; K213-I267 PolarHBondContact NZ-O 3.28Å; D264-I267 HydrophobicContact CB-CD1 4.14Å; D264-I267 WeakPolarHBondContact O-CB 3.37Å; D264-I267 WeakPolarHBondContact O-CG1 3.2Å; D264-I267 PolarHBondContact O-N 2.97Å; I267-S269 PolarHBondContact O-N 3.12Å |
| 268 | V | 84.1 | Confident | 84 | Confident | 68 Ų | 68 | 64.9 Ų | 64.9 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 119.8 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110 | T266 I293 | T266-V268 PolarHBondContact O-N 2.88Å; V268-I293 HydrophobicContact CB-CG2 4.47Å; V268-I293 HydrophobicContact CG1-CB 4.08Å; V268-I293 HydrophobicContact CG1-CG2 3.55Å; V268-I293 HydrophobicContact CG2-CG2 4.07Å |
| 269 | S | 87.5 | Confident | 84.3 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 124.5 | 173.1 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | Q215 I267 E271 S272 T273 | Q215-S269 PolarHBondContact NE2-O 2.75Å; I267-S269 PolarHBondContact O-N 3.12Å; S269-E271 PolarHBondContact O-N 3.47Å; S269-E271 PolarHBondContact OG-N 2.93Å; S269-S272 VanDerWaalsContact CB-OG 3.3Å; S269-S272 WeakPolarHBondContact CB-OG 3.41Å; S269-S272 PolarHBondContact O-N 3.12Å; S269-S272 PolarHBondContact OG-N 2.89Å; S269-S272 PolarHBondContact OG-OG 2.76Å; S269-T273 WeakPolarHBondContact O-CB 3.41Å; S269-T273 PolarHBondContact O-N 2.78Å; S269-T273 PolarHBondContact O-OG1 2.64Å |
| 270 | S | 88.5 | Confident | 84.5 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.1 | -24.9 | 173.4 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | T273 K274 | S270-T273 WeakPolarHBondContact O-CB 3.46Å; S270-K274 WeakPolarHBondContact O-CG 3.37Å; S270-K274 PolarHBondContact O-N 3.49Å |
| 271 | E | 90 | Very high | 84.9 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.3 | -46.2 | 174.8 | -166.5 | 52 | -134.2 | 0 | 0 | 111 | S269 T273 K274 N275 | S269-E271 PolarHBondContact O-N 3.47Å; S269-E271 PolarHBondContact OG-N 2.93Å; E271-T273 PolarHBondContact O-N 2.82Å; E271-K274 PolarHBondContact O-N 2.98Å; E271-K274 VanDerWaalsContact O-N 3.12Å; E271-K274 WeakPolarHBondContact OE2-CE 3.48Å; E271-K274 IonicContact OE2-NZ 2.68Å; E271-K274 PolarHBondContact OE2-NZ 2.91Å; E271-N275 PolarHBondContact O-N 2.78Å; E271-N275 PolarHBondContact O-ND2 3Å; E271-N275 PolarHBondContact OE1-ND2 3.22Å |
| 272 | S | 86.6 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 12% | 0.119 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | 171.9 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | F249 S269 I276 | F249-S272 WeakPolarHBondContact CE2-OG 3.26Å; S269-S272 VanDerWaalsContact CB-OG 3.3Å; S269-S272 WeakPolarHBondContact CB-OG 3.41Å; S269-S272 PolarHBondContact O-N 3.12Å; S269-S272 PolarHBondContact OG-N 2.89Å; S269-S272 PolarHBondContact OG-OG 2.76Å; S272-I276 WeakPolarHBondContact O-CD1 3.02Å; S272-I276 VanDerWaalsContact O-CG1 3.31Å; S272-I276 WeakPolarHBondContact O-CG1 3.21Å; S272-I276 PolarHBondContact O-N 3.26Å; S272-I276 VanDerWaalsContact O-N 3.07Å |
| 273 | T | 86.5 | Confident | 85.4 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -54.2 | 172 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | Q215 S269 S270 E271 N275 I276 L277 I293 | Q215-T273 PolarHBondContact NE2-OG1 3.22Å; Q215-T273 VanDerWaalsContact NE2-OG1 3.13Å; S269-T273 WeakPolarHBondContact O-CB 3.41Å; S269-T273 PolarHBondContact O-N 2.78Å; S269-T273 PolarHBondContact O-OG1 2.64Å; S270-T273 WeakPolarHBondContact O-CB 3.46Å; E271-T273 PolarHBondContact O-N 2.82Å; T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 2.72Å; T273-I276 PolarHBondContact O-N 2.99Å; T273-L277 HydrophobicContact CG2-CD1 3.94Å; T273-L277 VanDerWaalsContact O-CG 3.3Å; T273-L277 WeakPolarHBondContact O-CG 3.43Å; T273-L277 PolarHBondContact O-N 2.95Å; T273-L277 VanDerWaalsContact O-N 3.14Å; T273-I293 HydrophobicContact CG2-CD1 3.82Å; T273-I293 HydrophobicContact CG2-CG1 3.7Å; T273-I293 WeakPolarHBondContact OG1-CD1 3.4Å |
| 274 | K | 88.8 | Confident | 85.6 | Confident | 113 Ų | 113 | 55.3 Ų | 55.3 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 176.2 | -63.1 | 172.7 | -154.6 | 159 | 0 | 111.7 | S270 E271 I276 L277 Q278 | S270-K274 WeakPolarHBondContact O-CG 3.37Å; S270-K274 PolarHBondContact O-N 3.49Å; E271-K274 PolarHBondContact O-N 2.98Å; E271-K274 VanDerWaalsContact O-N 3.12Å; E271-K274 WeakPolarHBondContact OE2-CE 3.48Å; E271-K274 IonicContact OE2-NZ 2.68Å; E271-K274 PolarHBondContact OE2-NZ 2.91Å; K274-I276 PolarHBondContact O-N 2.62Å; K274-L277 PolarHBondContact O-N 3.48Å; K274-Q278 WeakPolarHBondContact O-CB 3.41Å; K274-Q278 PolarHBondContact O-N 2.94Å |
| 275 | N | 88.7 | Confident | 85.4 | Confident | 64 Ų | 64 | 57.4 Ų | 57.4 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -176.8 | -78.3 | -84.4 | 0 | 0 | 0 | 112.3 | E271 T273 R279 | E271-N275 PolarHBondContact O-N 2.78Å; E271-N275 PolarHBondContact O-ND2 3Å; E271-N275 PolarHBondContact OE1-ND2 3.22Å; T273-N275 VanDerWaalsContact C-N 3.28Å; T273-N275 PolarHBondContact O-N 2.72Å; N275-R279 WeakPolarHBondContact O-CG 3.44Å; N275-R279 PolarHBondContact O-N 2.83Å; N275-R279 VanDerWaalsContact O-N 3.1Å |
| 276 | I | 84.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 171.5 | -63.6 | 158.4 | 0 | 0 | 0 | 110.2 | Q215 V217 L246 F249 S272 T273 K274 Q278 R279 I280 I293 | Q215-I276 HydrophobicContact CB-CD1 4.25Å; Q215-I276 HydrophobicContact CG-CD1 4.3Å; Q215-I276 WeakPolarHBondContact O-CD1 3.37Å; V217-I276 HydrophobicContact CG2-CB 4.08Å; V217-I276 HydrophobicContact CG2-CG2 3.54Å; L246-I276 HydrophobicContact CB-CG2 4.14Å; F249-I276 HydrophobicContact CB-CD1 4.08Å; F249-I276 HydrophobicContact CB-CG1 4.42Å; S272-I276 WeakPolarHBondContact O-CD1 3.02Å; S272-I276 VanDerWaalsContact O-CG1 3.31Å; S272-I276 WeakPolarHBondContact O-CG1 3.21Å; S272-I276 PolarHBondContact O-N 3.26Å; S272-I276 VanDerWaalsContact O-N 3.07Å; T273-I276 PolarHBondContact O-N 2.99Å; K274-I276 PolarHBondContact O-N 2.62Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 2.57Å; I276-R279 PolarHBondContact O-N 3.45Å; I276-I280 HydrophobicContact CG2-CG1 4.4Å; I276-I280 VanDerWaalsContact O-CG1 3.23Å; I276-I280 WeakPolarHBondContact O-CG1 3.36Å; I276-I280 PolarHBondContact O-N 3Å; I276-I280 VanDerWaalsContact O-N 3.1Å; I276-I293 HydrophobicContact CD1-CD1 3.78Å |
| 277 | L | 87.8 | Confident | 84 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | -179.3 | -66.6 | 169.2 | 0 | 0 | 0 | 111.8 | V217 L246 T273 K274 I280 D281 | V217-L277 HydrophobicContact CB-CD2 4.44Å; V217-L277 HydrophobicContact CG1-CD2 3.86Å; V217-L277 HydrophobicContact CG2-CD2 3.76Å; V217-L277 HydrophobicContact CG2-CG 4.16Å; L246-L277 HydrophobicContact CD1-CD2 4.25Å; T273-L277 HydrophobicContact CG2-CD1 3.94Å; T273-L277 VanDerWaalsContact O-CG 3.3Å; T273-L277 WeakPolarHBondContact O-CG 3.43Å; T273-L277 PolarHBondContact O-N 2.95Å; T273-L277 VanDerWaalsContact O-N 3.14Å; K274-L277 PolarHBondContact O-N 3.48Å; L277-I280 PolarHBondContact O-N 3.44Å; L277-D281 PolarHBondContact O-N 3.39Å; L277-D281 VanDerWaalsContact O-N 3.13Å |
| 278 | Q | 88.2 | Confident | 83 | Confident | 113 Ų | 113 | 52.4 Ų | 52.4 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 179.3 | -174.3 | 179.1 | 5.4 | 0 | 0 | 112.7 | K274 I276 I280 D281 N282 | K274-Q278 WeakPolarHBondContact O-CB 3.41Å; K274-Q278 PolarHBondContact O-N 2.94Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 2.57Å; Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 3.45Å; Q278-D281 PolarHBondContact O-N 2.84Å; Q278-N282 WeakPolarHBondContact O-CB 3.17Å; Q278-N282 PolarHBondContact O-N 3.06Å; Q278-N282 PolarHBondContact O-ND2 2.91Å |
| 279 | R | 87.9 | Confident | 81 | Confident | 53 Ų | 53 | 50 Ų | 50 | 20% | 0.2 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 176.5 | -71.5 | -167.6 | -40 | -115.9 | -5.9 | 112.3 | T235 G247 G248 N275 I276 N282 T283 | T235-R279 HydrophobicContact CG2-CB 4.17Å; T235-R279 PolarHBondContact OG1-NE 2.9Å; T235-R279 PolarHBondContact OG1-NH2 2.92Å; G247-R279 PolarHBondContact O-NH2 2.85Å; G248-R279 VanDerWaalsContact C-NH2 3.29Å; G248-R279 PolarHBondContact O-NH2 3.4Å; N275-R279 WeakPolarHBondContact O-CG 3.44Å; N275-R279 PolarHBondContact O-N 2.83Å; N275-R279 VanDerWaalsContact O-N 3.1Å; I276-R279 PolarHBondContact O-N 3.45Å; R279-N282 PolarHBondContact O-N 2.91Å; R279-T283 WeakPolarHBondContact O-CB 3.05Å; R279-T283 PolarHBondContact O-N 2.71Å; R279-T283 PolarHBondContact O-OG1 2.95Å |
| 280 | I | 87.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.2 | -50.1 | 176.4 | -64.6 | -76 | 0 | 0 | 0 | 110.8 | F228 T235 Y236 C237 L246 I276 L277 Q278 N282 T283 W284 L288 | F228-I280 HydrophobicContact CE2-CD1 4.06Å; F228-I280 HydrophobicContact CZ-CD1 4.19Å; F228-I280 HydrophobicContact CZ-CG2 4.35Å; T235-I280 HydrophobicContact CG2-CD1 3.66Å; T235-I280 HydrophobicContact CG2-CG1 4.28Å; Y236-I280 VanDerWaalsContact O-CD1 3.23Å; Y236-I280 WeakPolarHBondContact O-CD1 3.44Å; C237-I280 HydrophobicContact CB-CD1 4.21Å; L246-I280 HydrophobicContact CB-CD1 4.02Å; L246-I280 HydrophobicContact CB-CG1 3.98Å; L246-I280 HydrophobicContact CD1-CB 4.48Å; L246-I280 HydrophobicContact CD1-CG1 4.18Å; L246-I280 HydrophobicContact CD1-CG2 4.21Å; L246-I280 HydrophobicContact CD2-CD1 4.39Å; L246-I280 HydrophobicContact CD2-CG2 4.39Å; L246-I280 HydrophobicContact CG-CG1 4.48Å; I276-I280 HydrophobicContact CG2-CG1 4.4Å; I276-I280 VanDerWaalsContact O-CG1 3.23Å; I276-I280 WeakPolarHBondContact O-CG1 3.36Å; I276-I280 PolarHBondContact O-N 3Å; I276-I280 VanDerWaalsContact O-N 3.1Å; L277-I280 PolarHBondContact O-N 3.44Å; Q278-I280 VanDerWaalsContact C-N 3.27Å; Q278-I280 PolarHBondContact O-N 3.45Å; I280-N282 PolarHBondContact O-N 2.92Å; I280-T283 PolarHBondContact O-N 3.28Å; I280-W284 PolarHBondContact O-N 2.86Å; I280-L288 HydrophobicContact CG2-CB 3.73Å; I280-L288 HydrophobicContact CG2-CD1 3.79Å; I280-L288 HydrophobicContact CG2-CG 4.33Å |
| 281 | D | 86.1 | Confident | 76.6 | Confident | 56 Ų | 56 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -28.9 | 176.5 | -73.2 | -15.1 | 0 | 0 | 0 | 112.2 | L277 Q278 L288 G289 | L277-D281 PolarHBondContact O-N 3.39Å; L277-D281 VanDerWaalsContact O-N 3.13Å; Q278-D281 PolarHBondContact O-N 2.84Å; D281-L288 PolarHBondContact OD1-N 2.7Å; D281-G289 PolarHBondContact OD1-N 3.4Å; D281-G289 VanDerWaalsContact OD2-CA 3.27Å; D281-G289 WeakPolarHBondContact OD2-CA 3.37Å; D281-G289 PolarHBondContact OD2-N 3.35Å |
| 282 | N | 85.3 | Confident | 74 | Confident | 86 Ų | 86 | 53.9 Ų | 53.9 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.5 | -25.9 | 170.5 | -73.9 | -11.2 | 0 | 0 | 0 | 113.7 | A129 H131 Q278 R279 I280 | A129-N282 VanDerWaalsContact CB-O 3.25Å; A129-N282 WeakPolarHBondContact CB-O 3.49Å; H131-N282 PolarHBondContact CE1-O 2.76Å; Q278-N282 WeakPolarHBondContact O-CB 3.17Å; Q278-N282 PolarHBondContact O-N 3.06Å; Q278-N282 PolarHBondContact O-ND2 2.91Å; R279-N282 PolarHBondContact O-N 2.91Å; I280-N282 PolarHBondContact O-N 2.92Å |
| 283 | T | 81.7 | Confident | 71.9 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -89.3 | -39.4 | -176.3 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L97 F128 A129 F228 F230 R279 I280 | L97-T283 HydrophobicContact CD1-CG2 3.78Å; F128-T283 WeakPolarHBondContact CA-O 3.43Å; A129-T283 PolarHBondContact N-O 3.13Å; F228-T283 HydrophobicContact CD2-CG2 4.19Å; F228-T283 HydrophobicContact CE2-CG2 3.77Å; F228-T283 HydrophobicContact CZ-CG2 4.42Å; F230-T283 HydrophobicContact CB-CG2 4.3Å; F230-T283 HydrophobicContact CD1-CG2 3.96Å; F230-T283 HydrophobicContact CG-CG2 4.39Å; R279-T283 WeakPolarHBondContact O-CB 3.05Å; R279-T283 PolarHBondContact O-N 2.71Å; R279-T283 PolarHBondContact O-OG1 2.95Å; I280-T283 PolarHBondContact O-N 3.28Å |
| 284 | W | 83.5 | Confident | 69.6 | Low | 25 Ų | 25 | 56.6 Ų | 56.6 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 121.1 | -174.5 | -177.3 | 71.3 | 0 | 0 | 0 | 111.7 | I126 G127 F128 M224 F226 F228 I280 G286 L288 | I126-W284 PolarHBondContact O-NE1 2.73Å; G127-W284 WeakPolarHBondContact O-CA 3.34Å; G127-W284 VanDerWaalsContact O-CD1 3.25Å; F128-W284 HydrophobicContact CD1-CB 3.95Å; F128-W284 AromaticContact CD1-CD1 3.52Å; F128-W284 HydrophobicContact CD1-CG 4.07Å; F128-W284 HydrophobicContact CE1-CB 4.16Å; F128-W284 AromaticContact CE1-CD1 3.63Å; F128-W284 HydrophobicContact CE1-CG 4.08Å; M224-W284 HydrophobicContact CE-CE3 4.06Å; M224-W284 HydrophobicContact CE-CH2 3.78Å; M224-W284 HydrophobicContact CE-CZ2 4.39Å; M224-W284 HydrophobicContact CE-CZ3 3.59Å; M224-W284 HydrophobicContact SD-CE3 4.25Å; M224-W284 HydrophobicContact SD-CH2 3.28Å; M224-W284 WeakPolarHBondContact SD-CH2 3.29Å; M224-W284 HydrophobicContact SD-CZ2 4.32Å; M224-W284 HydrophobicContact SD-CZ3 3.23Å; M224-W284 WeakPolarHBondContact SD-CZ3 3.33Å; F226-W284 HydrophobicContact CE1-CZ2 4.38Å; F226-W284 AromaticContact CZ-CE2 3.76Å; F226-W284 AromaticContact CZ-CZ2 3.76Å; F226-W284 HydrophobicContact CZ-CZ2 3.76Å; F226-W284 AromaticContact CZ-NE1 3.76Å; F228-W284 HydrophobicContact CE1-CB 3.77Å; F228-W284 HydrophobicContact CE1-CD2 4.34Å; F228-W284 HydrophobicContact CE1-CE3 4.45Å; F228-W284 HydrophobicContact CE1-CG 4.05Å; F228-W284 HydrophobicContact CZ-CB 3.79Å; I280-W284 PolarHBondContact O-N 2.86Å; W284-G286 PolarHBondContact O-N 2.86Å; W284-L288 HydrophobicContact CE3-CD1 3.8Å; W284-L288 HydrophobicContact CE3-CG 4.27Å; W284-L288 HydrophobicContact CZ3-CD1 3.83Å; W284-L288 HydrophobicContact CZ3-CD2 4.47Å; W284-L288 HydrophobicContact CZ3-CG 4.03Å |
| 285 | Y | 77.3 | Confident | 67.2 | Low | 152 Ų | 152 | 52.8 Ų | 52.8 | 60% | 0.596 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -80.5 | 38 | -167.1 | -57.1 | -46.9 | 0 | 0 | 0 | 115.1 | G127 A129 | G127-Y285 PolarHBondContact O-N 3.35Å; A129-Y285 HydrophobicContact CB-CE1 4.23Å; A129-Y285 HydrophobicContact CB-CE2 4.07Å; A129-Y285 VanDerWaalsContact CB-OH 3.3Å; A129-Y285 WeakPolarHBondContact CB-OH 2.98Å |
| 286 | G | 67.1 | Low | 64.4 | Low | 24 Ų | 24 | 50.8 Ų | 50.8 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -110.6 | 20.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | W284 | W284-G286 PolarHBondContact O-N 2.86Š|
| 287 | G | 62.7 | Low | 61.8 | Low | 51 Ų | 51 | 53 Ų | 53 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | trans | 65 | 64.9 | 163 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 288 | L | 61.3 | Low | 59.3 | Low | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -107.1 | -9.6 | -177.5 | -63.3 | 175.3 | 0 | 0 | 0 | 113.4 | V219 A221 W223 M224 L246 I280 D281 W284 Q290 | V219-L288 HydrophobicContact CG2-CD2 4.31Å; A221-L288 HydrophobicContact CB-CD2 3.35Å; W223-L288 HydrophobicContact CZ2-CD2 4.28Å; M224-L288 HydrophobicContact CE-CD1 4.21Å; M224-L288 HydrophobicContact CG-CD2 4.08Å; M224-L288 HydrophobicContact SD-CD1 4.22Å; M224-L288 HydrophobicContact SD-CD2 4.15Å; L246-L288 HydrophobicContact CD1-CB 4.13Å; L246-L288 HydrophobicContact CD2-CD1 4.09Å; I280-L288 HydrophobicContact CG2-CB 3.73Å; I280-L288 HydrophobicContact CG2-CD1 3.79Å; I280-L288 HydrophobicContact CG2-CG 4.33Å; D281-L288 PolarHBondContact OD1-N 2.7Å; W284-L288 HydrophobicContact CE3-CD1 3.8Å; W284-L288 HydrophobicContact CE3-CG 4.27Å; W284-L288 HydrophobicContact CZ3-CD1 3.83Å; W284-L288 HydrophobicContact CZ3-CD2 4.47Å; W284-L288 HydrophobicContact CZ3-CG 4.03Å; L288-Q290 PolarHBondContact O-N 3.36Å | ||
| 289 | G | 43.5 | Very low | 56.7 | Low | 18 Ų | 18 | 47.1 Ų | 47.1 | 19% | 0.186 | 26% | 0.255 | C | S | . | . | trans | -66.7 | 23.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | D281 | D281-G289 PolarHBondContact OD1-N 3.4Å; D281-G289 VanDerWaalsContact OD2-CA 3.27Å; D281-G289 WeakPolarHBondContact OD2-CA 3.37Å; D281-G289 PolarHBondContact OD2-N 3.35Å | ||
| 290 | Q | 42.7 | Very low | 54.5 | Low | 183 Ų | 183 | 48.6 Ų | 48.6 | 86% | 0.855 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -130 | 37 | -171.4 | -55.9 | -170.5 | 12.6 | 0 | 0 | 115.8 | L288 | L288-Q290 PolarHBondContact O-N 3.36Š|
| 291 | S | 40.1 | Very low | 52.3 | Low | 39 Ų | 39 | 53.1 Ų | 53.1 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | trans | -154.3 | -155.9 | 167.8 | -15.7 | 0 | 0 | 0 | 0 | 117 | V217 V219 | V217-S291 VanDerWaalsContact CG1-C 3.43Å; V217-S291 WeakPolarHBondContact CG1-O 3.29Å; V219-S291 WeakPolarHBondContact CB-OG 3.38Å | ||
| 292 | S | 36.2 | Very low | 50 | Low | 83 Ų | 83 | 52.5 Ų | 52.5 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 158.9 | -140.2 | -39.3 | 0 | 0 | 0 | 0 | 118.5 | V217 R218 | V217-S292 CarbonylContact C-O 3.39Å; R218-S292 CarbonylContact C-O 3.55Å; R218-S292 WeakPolarHBondContact CA-O 3.44Å; R218-S292 PolarHBondContact N-O 3.25Å |
| 293 | I | 41.1 | Very low | 47.6 | Very low | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155 | -146.3 | -65.3 | -123.1 | 0 | 0 | 0 | 122.6 | Q215 L216 V217 V268 T273 I276 | Q215-I293 HydrophobicContact CG-CD1 4.3Å; Q215-I293 HydrophobicContact CG-CG2 3.2Å; L216-I293 CarbonylContact O-C 3.38Å; L216-I293 VanDerWaalsContact O-C 3.3Å; L216-I293 WeakPolarHBondContact O-CA 3.49Å; L216-I293 WeakPolarHBondContact O-CB 3.27Å; L216-I293 VanDerWaalsContact O-CG2 3.31Å; L216-I293 WeakPolarHBondContact O-CG2 3.24Å; V217-I293 HydrophobicContact CB-CD1 4.1Å; V217-I293 HydrophobicContact CB-CG1 4.18Å; V217-I293 HydrophobicContact CG1-CG1 4.23Å; V217-I293 HydrophobicContact CG2-CD1 3.43Å; V217-I293 VanDerWaalsContact CG2-CD1 3.43Å; V217-I293 HydrophobicContact CG2-CG1 3.97Å; V268-I293 HydrophobicContact CB-CG2 4.47Å; V268-I293 HydrophobicContact CG1-CB 4.08Å; V268-I293 HydrophobicContact CG1-CG2 3.55Å; V268-I293 HydrophobicContact CG2-CG2 4.07Å; T273-I293 HydrophobicContact CG2-CD1 3.82Å; T273-I293 HydrophobicContact CG2-CG1 3.7Å; T273-I293 WeakPolarHBondContact OG1-CD1 3.4Å; I276-I293 HydrophobicContact CD1-CD1 3.78Å |
| 294 | I | 38.5 | Very low | 46 | Very low | 75 Ų | 75 | 58 Ų | 58 | 39% | 0.385 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | -172 | 171.9 | -57.9 | -169 | 0 | 0 | 0 | 116.8 | Q215 L216 | Q215-I294 CarbonylContact C-O 3.5Å; Q215-I294 WeakPolarHBondContact CA-O 3.46Å; L216-I294 HydrophobicContact CD1-CB 4.46Å; L216-I294 WeakPolarHBondContact CG-O 3.49Å; L216-I294 PolarHBondContact N-O 3.44Å; L216-I294 PolarHBondContact O-N 2.79Å |
| 295 | D | 38.6 | Very low | 45.3 | Very low | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | trans | -138.9 | 175 | -162.2 | 161.4 | 64 | 0 | 0 | 0 | 120.7 | G43 G214 | G43-D295 CarbonylContact C-O 2.72Å; G43-D295 WeakPolarHBondContact CA-O 3.17Å; G214-D295 WeakPolarHBondContact CA-OD1 3.42Å; G214-D295 PolarHBondContact N-OD1 2.76Å; G214-D295 VanDerWaalsContact O-OD1 3.13Å | ||
| 296 | W | 29.8 | Very low | 45.5 | Very low | 22 Ų | 22 | 57.5 Ų | 57.5 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | trans | -175.1 | 142.8 | 170.4 | -177.1 | -73.6 | 0 | 0 | 0 | 122.4 | I10 T40 S41 A44 P145 V319 | I10-W296 HydrophobicContact CG2-CH2 3.84Å; I10-W296 HydrophobicContact CG2-CZ2 3.98Å; T40-W296 HydrophobicContact CG2-CB 4.47Å; T40-W296 HydrophobicContact CG2-CG 4.37Å; S41-W296 VanDerWaalsContact CA-CE3 3.48Å; S41-W296 WeakPolarHBondContact O-CZ3 3.48Å; A44-W296 HydrophobicContact CB-CB 3.8Å; A44-W296 HydrophobicContact CB-CD2 3.4Å; A44-W296 HydrophobicContact CB-CE3 3.09Å; A44-W296 HydrophobicContact CB-CG 3.74Å; A44-W296 HydrophobicContact CB-CH2 4.37Å; A44-W296 HydrophobicContact CB-CZ3 3.57Å; P145-W296 HydrophobicContact CB-CH2 4.22Å; P145-W296 HydrophobicContact CB-CZ3 3.93Å; P145-W296 HydrophobicContact CG-CH2 3.9Å; P145-W296 HydrophobicContact CG-CZ3 3.68Å; W296-V319 HydrophobicContact CH2-CG2 3.32Å; W296-V319 HydrophobicContact CZ2-CG2 3.62Å; W296-V319 HydrophobicContact CZ3-CG2 4.11Å | ||
| 297 | Y | 31.5 | Very low | 46.5 | Very low | 49 Ų | 49 | 58.5 Ų | 58.5 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | trans | -161.7 | -165 | 157.3 | -163.2 | -107.1 | 0 | 0 | 0 | 118.2 | T40 L198 G315 | T40-Y297 VanDerWaalsContact CG2-O 3.29Å; T40-Y297 WeakPolarHBondContact CG2-O 3.14Å; L198-Y297 HydrophobicContact CD1-CD1 4.13Å; L198-Y297 HydrophobicContact CD2-CD1 3.85Å; L198-Y297 HydrophobicContact CD2-CE1 4.25Å; L198-Y297 HydrophobicContact CG-CD1 3.97Å; Y297-G315 WeakPolarHBondContact CD2-O 3.37Å; Y297-G315 VanDerWaalsContact CE2-O 3.26Å; Y297-G315 WeakPolarHBondContact CE2-O 3.23Å | ||
| 298 | Q | 33.7 | Very low | 47.7 | Very low | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | trans | -160.4 | -173.1 | -147.2 | -90.6 | 168.5 | -105.6 | 0 | 0 | 120.2 | H314 G315 | Q298-H314 HydrophobicContact CB-CB 4.1Å; Q298-H314 HydrophobicContact CG-CB 4.27Å; Q298-H314 PolarHBondContact NE2-O 3.19Å; Q298-G315 VanDerWaalsContact CB-O 3.24Å; Q298-G315 WeakPolarHBondContact CB-O 3.41Å; Q298-G315 PolarHBondContact NE2-O 2.92Å; Q298-G315 PolarHBondContact OE1-O 2.72Å | ||
| 299 | P | 35 | Very low | 49.2 | Very low | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | trans | -129.2 | 0 | -159.4 | 13.6 | 14.4 | 0 | 0 | 0 | 122.5 | G197 L209 Y312 G313 H314 | G197-P299 WeakPolarHBondContact O-CB 3.33Å; L209-P299 HydrophobicContact CD1-CB 4.33Å; L209-P299 VanDerWaalsContact CD2-CA 3.47Å; L209-P299 WeakPolarHBondContact CD2-O 3.36Å; P299-Y312 HydrophobicContact CB-CD2 3.32Å; P299-Y312 HydrophobicContact CB-CG 3.69Å; P299-G313 CarbonylContact O-C 3.5Å; P299-G313 WeakPolarHBondContact O-CA 3.39Å; P299-G313 PolarHBondContact O-N 2.79Å; P299-H314 VanDerWaalsContact CD-CB 3.43Å; P299-H314 PolarHBondContact O-N 2.79Å; P299-H314 VanDerWaalsContact O-N 3.09Å | ||
| 300 | E | 40.6 | Very low | 51.5 | Low | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | 0 | -126.3 | 0 | -143.2 | -124.7 | -126.6 | 0 | 0 | 123.3 | D206 L209 Y312 G313 | D206-E300 WeakPolarHBondContact OD2-CB 3.01Å; L209-E300 HydrophobicContact CD2-CB 4.15Å; E300-Y312 VanDerWaalsContact C-C 3.48Å; E300-Y312 VanDerWaalsContact C-CD2 3.43Å; E300-Y312 VanDerWaalsContact C-CE2 3.49Å; E300-Y312 VanDerWaalsContact C-CZ 3.4Å; E300-Y312 CarbonylContact C-O 3.37Å; E300-Y312 VanDerWaalsContact CA-CD2 3.48Å; E300-Y312 HydrophobicContact CB-CD2 4.49Å; E300-Y312 HydrophobicContact CB-CE2 4.21Å; E300-Y312 VanDerWaalsContact N-CE2 3.27Å; E300-Y312 VanDerWaalsContact N-CG 3.3Å; E300-Y312 CarbonylContact O-C 3.59Å; E300-Y312 WeakPolarHBondContact O-CA 3.08Å; E300-Y312 WeakPolarHBondContact O-CB 3.4Å; E300-Y312 WeakPolarHBondContact O-CD1 3.15Å; E300-Y312 WeakPolarHBondContact O-CD2 3.44Å; E300-Y312 VanDerWaalsContact O-CE1 3.31Å; E300-Y312 WeakPolarHBondContact O-CE1 3.45Å; E300-Y312 PolarHBondContact O-N 3.35Å; E300-G313 VanDerWaalsContact CA-N 3.33Å; E300-G313 VanDerWaalsContact N-N 3.12Å | |||
| 301 | I | 42.3 | Very low | 53.8 | Low | 94 Ų | 94 | 47.7 Ų | 47.7 | 48% | 0.482 | 27% | 0.269 | S | S | . | . | trans | -147.3 | 0 | -170.8 | -66.7 | -169.4 | 0 | 0 | 0 | 121.4 | H310 Y312 | I301-H310 HydrophobicContact CB-CB 4.16Å; I301-H310 HydrophobicContact CG1-CB 4.02Å; I301-H310 HydrophobicContact CG2-CB 4.2Å; I301-Y312 VanDerWaalsContact C-CE1 3.47Å; I301-Y312 PolarHBondContact O-OH 2.84Å | ||
| 302 | T | 37.3 | Very low | 56.2 | Low | 43 Ų | 43 | 46.1 Ų | 46.1 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | 0 | -171.1 | 0 | 82 | 0 | 0 | 0 | 0 | 120.9 | F204 H310 | F204-T302 HydrophobicContact CB-CG2 3.83Å; F204-T302 HydrophobicContact CD1-CG2 3.93Å; F204-T302 VanDerWaalsContact CD1-OG1 3.28Å; F204-T302 WeakPolarHBondContact CD1-OG1 3.46Å; F204-T302 HydrophobicContact CG-CG2 4.14Å; T302-H310 PolarHBondContact N-CD2 3Å; T302-H310 PolarHBondContact N-NE2 3.35Å; T302-H310 PolarHBondContact O-CD2 3.46Å; T302-H310 PolarHBondContact O-NE2 2.79Å; T302-H310 PolarHBondContact OG1-CE1 3.49Å; T302-H310 PolarHBondContact OG1-NE2 3.35Å | |||
| 303 | C | 35.2 | Very low | 58.5 | Low | 105 Ų | 105 | 44.2 Ų | 44.2 | 71% | 0.709 | 25% | 0.25 | S | S | * | . | trans | -151.3 | 145.2 | 171.9 | -92.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 304 | Q | 49.1 | Very low | 60.6 | Low | 100 Ų | 100 | 43.3 Ų | 43.3 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | trans | -163.2 | -173.8 | -176.7 | -116.4 | 164.3 | 55.3 | 0 | 0 | 113.7 | Y181 L306 | Y181-Q304 VanDerWaalsContact CZ-OE1 3.29Å; Y181-Q304 WeakPolarHBondContact OH-CB 3.47Å; Y181-Q304 PolarHBondContact OH-OE1 3.36Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 CarbonylContact C-O 3.52Å; Q304-L306 CarbonylContact O-C 3.47Å; Q304-L306 PolarHBondContact O-N 3.46Å; Q304-L306 VanDerWaalsContact O-O 3.08Å | ||
| 305 | P | 68.1 | Low | 62.8 | Low | 127 Ų | 127 | 40.1 Ų | 40.1 | 83% | 0.825 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -71.9 | -13.5 | -161.5 | 29 | -37.6 | 0 | 0 | 0 | 116.6 | ||
| 306 | L | 82.3 | Confident | 64.8 | Low | 39 Ų | 39 | 41.3 Ų | 41.3 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -102.4 | 127 | 154.9 | -170.5 | 73 | 0 | 0 | 0 | 105.8 | Y181 A184 I189 N190 I192 Q304 I308 | Y181-L306 HydrophobicContact CD1-CB 4.13Å; Y181-L306 HydrophobicContact CE1-CB 4.2Å; A184-L306 HydrophobicContact CB-CD2 3.51Å; I189-L306 HydrophobicContact CG2-CD2 4.39Å; N190-L306 WeakPolarHBondContact O-CD1 3.19Å; I192-L306 HydrophobicContact CD1-CD2 3.79Å; I192-L306 HydrophobicContact CG1-CD2 3.9Å; Q304-L306 VanDerWaalsContact C-N 3.32Å; Q304-L306 CarbonylContact C-O 3.52Å; Q304-L306 CarbonylContact O-C 3.47Å; Q304-L306 PolarHBondContact O-N 3.46Å; Q304-L306 VanDerWaalsContact O-O 3.08Å; L306-I308 WeakPolarHBondContact O-CG1 3.42Å; L306-I308 PolarHBondContact O-N 3.41Å; L306-I308 VanDerWaalsContact O-N 3.08Å |
| 307 | P | 86.6 | Confident | 67.5 | Low | 45 Ų | 45 | 40.6 Ų | 40.6 | 29% | 0.292 | 24% | 0.24 | S | C | . | . | trans | -57.9 | 119.8 | -178.8 | 23.6 | -34.2 | 0 | 0 | 0 | 109.9 | N190 V191 I192 V336 | N190-P307 WeakPolarHBondContact O-CG 3.13Å; V191-P307 WeakPolarHBondContact CA-O 3.47Å; V191-P307 HydrophobicContact CG2-CG 4.01Å; I192-P307 PolarHBondContact N-O 3.47Å; P307-V336 HydrophobicContact CB-CG1 3.77Å; P307-V336 HydrophobicContact CB-CG2 4.18Å; P307-V336 HydrophobicContact CG-CG1 3.68Å | ||
| 308 | I | 89.3 | Confident | 70.1 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.3 | 170.7 | -48.6 | -159.9 | 0 | 0 | 0 | 107.2 | L180 Y181 I192 N194 F204 L306 H310 | L180-I308 HydrophobicContact CD2-CD1 4.07Å; Y181-I308 HydrophobicContact CE1-CD1 3.7Å; Y181-I308 HydrophobicContact CE1-CG1 4.19Å; Y181-I308 WeakPolarHBondContact OH-CD1 3.23Å; I192-I308 HydrophobicContact CB-CB 4.36Å; I192-I308 HydrophobicContact CB-CD1 4.26Å; I192-I308 HydrophobicContact CB-CG1 4.03Å; I192-I308 HydrophobicContact CB-CG2 3.99Å; I192-I308 HydrophobicContact CD1-CD1 3.7Å; I192-I308 HydrophobicContact CD1-CG1 3.98Å; I192-I308 HydrophobicContact CG2-CD1 4.43Å; I192-I308 HydrophobicContact CG2-CG2 3.94Å; I192-I308 WeakPolarHBondContact O-CA 3.08Å; N194-I308 HydrophobicContact CB-CG2 4.08Å; F204-I308 HydrophobicContact CE1-CD1 3.88Å; F204-I308 HydrophobicContact CZ-CD1 3.83Å; L306-I308 WeakPolarHBondContact O-CG1 3.42Å; L306-I308 PolarHBondContact O-N 3.41Å; L306-I308 VanDerWaalsContact O-N 3.08Å; I308-H310 WeakPolarHBondContact CB-NE2 3.4Å; I308-H310 VanDerWaalsContact CG2-CD2 3.45Å; I308-H310 WeakPolarHBondContact CG2-CD2 3.31Å; I308-H310 WeakPolarHBondContact CG2-NE2 3.28Å; I308-H310 PolarHBondContact O-CD2 2.83Å |
| 309 | I | 91.9 | Very high | 72.9 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 143.2 | 161.8 | -61.6 | 158.6 | 0 | 0 | 0 | 106 | V191 I192 V193 N194 A329 L332 F333 V336 | V191-I309 HydrophobicContact CG1-CD1 3.73Å; V191-I309 HydrophobicContact CG1-CG1 4.21Å; I192-I309 PolarHBondContact O-N 3.36Å; V193-I309 CarbonylContact C-O 3.57Å; V193-I309 VanDerWaalsContact CA-O 3.24Å; V193-I309 WeakPolarHBondContact CA-O 3.03Å; V193-I309 HydrophobicContact CG1-CG2 4.43Å; N194-I309 PolarHBondContact N-O 3.13Å; I309-A329 HydrophobicContact CG2-CB 4.2Å; I309-L332 HydrophobicContact CD1-CB 4.43Å; I309-L332 HydrophobicContact CG1-CB 4.25Å; I309-L332 HydrophobicContact CG2-CB 3.96Å; I309-L332 HydrophobicContact CG2-CD1 4.05Å; I309-F333 HydrophobicContact CD1-CB 3.58Å; I309-F333 HydrophobicContact CD1-CD2 3.74Å; I309-F333 HydrophobicContact CD1-CG 4.15Å; I309-V336 HydrophobicContact CD1-CG2 4.25Å; I309-V336 HydrophobicContact CG1-CG2 4.29Å |
| 310 | H | 91.1 | Very high | 75.6 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 112.9 | -175.5 | -77.3 | -96.6 | 0 | 0 | 0 | 106.6 | N194 F204 I301 T302 I308 Y312 | N194-H310 PolarHBondContact ND2-ND1 3.39Å; F204-H310 AromaticContact CD1-CE1 3.89Å; F204-H310 AromaticContact CE1-CE1 3.68Å; F204-H310 AromaticContact CE2-CE1 3.9Å; F204-H310 AromaticContact CZ-CE1 3.68Å; I301-H310 HydrophobicContact CB-CB 4.16Å; I301-H310 HydrophobicContact CG1-CB 4.02Å; I301-H310 HydrophobicContact CG2-CB 4.2Å; T302-H310 PolarHBondContact N-CD2 3Å; T302-H310 PolarHBondContact N-NE2 3.35Å; T302-H310 PolarHBondContact O-CD2 3.46Å; T302-H310 PolarHBondContact O-NE2 2.79Å; T302-H310 PolarHBondContact OG1-CE1 3.49Å; T302-H310 PolarHBondContact OG1-NE2 3.35Å; I308-H310 WeakPolarHBondContact CB-NE2 3.4Å; I308-H310 VanDerWaalsContact CG2-CD2 3.45Å; I308-H310 WeakPolarHBondContact CG2-CD2 3.31Å; I308-H310 WeakPolarHBondContact CG2-NE2 3.28Å; I308-H310 PolarHBondContact O-CD2 2.83Å; H310-Y312 VanDerWaalsContact C-N 3.26Å; H310-Y312 HydrophobicContact CB-CD1 3.65Å; H310-Y312 HydrophobicContact CB-CE1 4.16Å; H310-Y312 AromaticContact CE1-CE1 3.63Å; H310-Y312 AromaticContact CG-CD1 3.65Å; H310-Y312 AromaticContact CG-CE1 3.79Å; H310-Y312 AromaticContact ND1-CD1 2.99Å; H310-Y312 WeakPolarHBondContact ND1-CD1 3.23Å; H310-Y312 AromaticContact ND1-CE1 2.94Å; H310-Y312 WeakPolarHBondContact ND1-CE1 3.3Å |
| 311 | N | 92 | Very high | 78.1 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -102.6 | 61.8 | 162.8 | -165.2 | -3.2 | 0 | 0 | 0 | 108 | I11 T15 N194 H314 T325 A326 A329 | I11-N311 HydrophobicContact CG2-CB 3.95Å; I11-N311 VanDerWaalsContact CG2-ND2 3.32Å; I11-N311 WeakPolarHBondContact CG2-ND2 3.37Å; I11-N311 VanDerWaalsContact CG2-O 3.25Å; I11-N311 WeakPolarHBondContact CG2-O 3.36Å; T15-N311 PolarHBondContact OG1-ND2 3.48Å; N194-N311 CarbonylContact O-C 3.49Å; N194-N311 VanDerWaalsContact O-C 3.28Å; N194-N311 PolarHBondContact O-N 3.38Å; N311-H314 PolarHBondContact OD1-CE1 2.82Å; N311-T325 VanDerWaalsContact ND2-C 3.32Å; N311-T325 PolarHBondContact ND2-O 3Å; N311-T325 PolarHBondContact ND2-OG1 2.66Å; N311-T325 VanDerWaalsContact OD1-CB 3.29Å; N311-T325 WeakPolarHBondContact OD1-CB 3.42Å; N311-T325 PolarHBondContact OD1-OG1 3.48Å; N311-A326 PolarHBondContact ND2-N 2.97Å; N311-A329 HydrophobicContact CB-CB 4.12Å | ||
| 312 | Y | 90.4 | Very high | 80.6 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | trans | -118.6 | 143.7 | 176.1 | 114 | -95.5 | 0 | 0 | 0 | 101.2 | N194 S200 D206 L209 P299 E300 I301 H310 | N194-Y312 VanDerWaalsContact ND2-CD1 3.34Å; N194-Y312 WeakPolarHBondContact ND2-CD1 3.31Å; S200-Y312 WeakPolarHBondContact OG-CD2 3.34Å; D206-Y312 HydrophobicContact CB-CE2 4.45Å; D206-Y312 VanDerWaalsContact OD2-CE2 3.27Å; D206-Y312 WeakPolarHBondContact OD2-CE2 3.47Å; D206-Y312 PolarHBondContact OD2-OH 2.71Å; L209-Y312 HydrophobicContact CD1-CD2 4Å; L209-Y312 HydrophobicContact CD1-CE2 3.79Å; P299-Y312 HydrophobicContact CB-CD2 3.32Å; P299-Y312 HydrophobicContact CB-CG 3.69Å; E300-Y312 VanDerWaalsContact C-C 3.48Å; E300-Y312 VanDerWaalsContact C-CD2 3.43Å; E300-Y312 VanDerWaalsContact C-CE2 3.49Å; E300-Y312 VanDerWaalsContact C-CZ 3.4Å; E300-Y312 CarbonylContact C-O 3.37Å; E300-Y312 VanDerWaalsContact CA-CD2 3.48Å; E300-Y312 HydrophobicContact CB-CD2 4.49Å; E300-Y312 HydrophobicContact CB-CE2 4.21Å; E300-Y312 VanDerWaalsContact N-CE2 3.27Å; E300-Y312 VanDerWaalsContact N-CG 3.3Å; E300-Y312 CarbonylContact O-C 3.59Å; E300-Y312 WeakPolarHBondContact O-CA 3.08Å; E300-Y312 WeakPolarHBondContact O-CB 3.4Å; E300-Y312 WeakPolarHBondContact O-CD1 3.15Å; E300-Y312 WeakPolarHBondContact O-CD2 3.44Å; E300-Y312 VanDerWaalsContact O-CE1 3.31Å; E300-Y312 WeakPolarHBondContact O-CE1 3.45Å; E300-Y312 PolarHBondContact O-N 3.35Å; I301-Y312 VanDerWaalsContact C-CE1 3.47Å; I301-Y312 PolarHBondContact O-OH 2.84Å; H310-Y312 VanDerWaalsContact C-N 3.26Å; H310-Y312 HydrophobicContact CB-CD1 3.65Å; H310-Y312 HydrophobicContact CB-CE1 4.16Å; H310-Y312 AromaticContact CE1-CE1 3.63Å; H310-Y312 AromaticContact CG-CD1 3.65Å; H310-Y312 AromaticContact CG-CE1 3.79Å; H310-Y312 AromaticContact ND1-CD1 2.99Å; H310-Y312 WeakPolarHBondContact ND1-CD1 3.23Å; H310-Y312 AromaticContact ND1-CE1 2.94Å; H310-Y312 WeakPolarHBondContact ND1-CE1 3.3Å | ||
| 313 | G | 83.7 | Confident | 83.4 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | trans | -161.8 | -77.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 120 | P299 E300 | P299-G313 CarbonylContact O-C 3.5Å; P299-G313 WeakPolarHBondContact O-CA 3.39Å; P299-G313 PolarHBondContact O-N 2.79Å; E300-G313 VanDerWaalsContact CA-N 3.33Å; E300-G313 VanDerWaalsContact N-N 3.12Å | ||
| 314 | H | 86.3 | Confident | 86.2 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | cis | -163.2 | -19 | -34.9 | -132.6 | 136.5 | 0 | 0 | 0 | 113.3 | I11 Q298 P299 N311 T325 | I11-H314 VanDerWaalsContact CD1-CE1 3.44Å; I11-H314 WeakPolarHBondContact CD1-CE1 3.47Å; Q298-H314 HydrophobicContact CB-CB 4.1Å; Q298-H314 HydrophobicContact CG-CB 4.27Å; Q298-H314 PolarHBondContact NE2-O 3.19Å; P299-H314 VanDerWaalsContact CD-CB 3.43Å; P299-H314 PolarHBondContact O-N 2.79Å; P299-H314 VanDerWaalsContact O-N 3.09Å; N311-H314 PolarHBondContact OD1-CE1 2.82Å; H314-T325 PolarHBondContact CE1-OG1 3.18Å; H314-T325 WeakPolarHBondContact NE2-CG2 3.46Å; H314-T325 PolarHBondContact NE2-OG1 2.8Å | ||
| 315 | G | 83.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -159.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | Y297 Q298 M317 | Y297-G315 WeakPolarHBondContact CD2-O 3.37Å; Y297-G315 VanDerWaalsContact CE2-O 3.26Å; Y297-G315 WeakPolarHBondContact CE2-O 3.23Å; Q298-G315 VanDerWaalsContact CB-O 3.24Å; Q298-G315 WeakPolarHBondContact CB-O 3.41Å; Q298-G315 PolarHBondContact NE2-O 2.92Å; Q298-G315 PolarHBondContact OE1-O 2.72Å; G315-M317 PolarHBondContact O-N 2.64Å |
| 316 | S | 80.6 | Confident | 89.7 | Confident | 56 Ų | 56 | 13.5 Ų | 13.5 | 39% | 0.392 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 13.3 | 165.9 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 317 | M | 86.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.039 | 9% | 0.089 | C | C | . | . | trans | -106.5 | 15.4 | -170 | -63.3 | -172.8 | -76.1 | 0 | 0 | 113.3 | P50 L54 L55 F64 G315 V319 A320 L321 | P50-M317 HydrophobicContact CB-SD 4.33Å; L54-M317 HydrophobicContact CB-CE 4.24Å; L54-M317 HydrophobicContact CB-SD 4.46Å; L55-M317 HydrophobicContact CD2-CE 3.51Å; L55-M317 HydrophobicContact CG-CE 3.89Å; F64-M317 HydrophobicContact CE2-CE 3.66Å; F64-M317 HydrophobicContact CE2-SD 3.91Å; F64-M317 HydrophobicContact CZ-CE 4.14Å; F64-M317 HydrophobicContact CZ-SD 4.02Å; G315-M317 PolarHBondContact O-N 2.64Å; M317-V319 PolarHBondContact O-N 3.11Å; M317-V319 VanDerWaalsContact O-N 3.12Å; M317-A320 WeakPolarHBondContact O-CB 3.46Å; M317-A320 PolarHBondContact O-N 3.2Å; M317-L321 HydrophobicContact CB-CD1 3.93Å; M317-L321 HydrophobicContact CB-CG 4.14Å; M317-L321 PolarHBondContact O-N 3.3Å | ||
| 318 | G | 87.2 | Confident | 90.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -29.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S322 | G318-S322 WeakPolarHBondContact O-CA 3.39Å; G318-S322 WeakPolarHBondContact O-CB 3.31Å; G318-S322 PolarHBondContact O-N 2.67Å |
| 319 | V | 91.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 5% | 0.048 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.1 | -49.2 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | I10 Y75 I143 P145 W296 M317 L321 | I10-V319 HydrophobicContact CD1-CB 4.39Å; I10-V319 HydrophobicContact CD1-CG1 4.13Å; I10-V319 HydrophobicContact CD1-CG2 4.21Å; Y75-V319 WeakPolarHBondContact CE2-O 3.09Å; Y75-V319 PolarHBondContact OH-O 3.2Å; I143-V319 HydrophobicContact CB-CG1 3.48Å; I143-V319 VanDerWaalsContact CB-CG1 3.48Å; I143-V319 HydrophobicContact CD1-CG1 4.46Å; I143-V319 HydrophobicContact CG1-CG1 4.45Å; I143-V319 HydrophobicContact CG2-CG1 3.58Å; I143-V319 WeakPolarHBondContact O-CG1 3.47Å; P145-V319 HydrophobicContact CG-CG2 3.67Å; W296-V319 HydrophobicContact CH2-CG2 3.32Å; W296-V319 HydrophobicContact CZ2-CG2 3.62Å; W296-V319 HydrophobicContact CZ3-CG2 4.11Å; M317-V319 PolarHBondContact O-N 3.11Å; M317-V319 VanDerWaalsContact O-N 3.12Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.48Å |
| 320 | A | 92.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.017 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F48 P50 M317 | F48-A320 HydrophobicContact CD2-CB 3.75Å; F48-A320 HydrophobicContact CE2-CB 3.96Å; F48-A320 HydrophobicContact CG-CB 4.43Å; P50-A320 HydrophobicContact CB-CB 4.39Å; M317-A320 WeakPolarHBondContact O-CB 3.46Å; M317-A320 PolarHBondContact O-N 3.2Å |
| 321 | L | 92.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -93.4 | -17 | -174.2 | -61.2 | 177.8 | 0 | 0 | 0 | 115 | F64 W67 M317 V319 W323 G324 T325 | F64-L321 HydrophobicContact CD2-CD1 4.36Å; F64-L321 HydrophobicContact CD2-CD2 4.05Å; F64-L321 HydrophobicContact CE2-CD1 4.23Å; F64-L321 HydrophobicContact CE2-CD2 3.96Å; W67-L321 HydrophobicContact CB-CD2 3.9Å; M317-L321 HydrophobicContact CB-CD1 3.93Å; M317-L321 HydrophobicContact CB-CG 4.14Å; M317-L321 PolarHBondContact O-N 3.3Å; V319-L321 VanDerWaalsContact C-N 3.29Å; V319-L321 PolarHBondContact O-N 3.48Å; L321-W323 VanDerWaalsContact C-N 3.27Å; L321-W323 PolarHBondContact O-N 2.93Å; L321-G324 PolarHBondContact O-N 2.73Å; L321-T325 HydrophobicContact CB-CG2 4.37Å; L321-T325 PolarHBondContact O-N 3.03Å; L321-T325 PolarHBondContact O-OG1 3.16Å; L321-T325 VanDerWaalsContact O-OG1 3.05Å |
| 322 | S | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.6 | -33.4 | -166.7 | 72.4 | 0 | 0 | 0 | 0 | 115.6 | S14 Y75 G318 A326 | S14-S322 WeakPolarHBondContact CB-O 3.05Å; S14-S322 PolarHBondContact OG-OG 3.42Å; Y75-S322 PolarHBondContact OH-OG 2.86Å; G318-S322 WeakPolarHBondContact O-CA 3.39Å; G318-S322 WeakPolarHBondContact O-CB 3.31Å; G318-S322 PolarHBondContact O-N 2.67Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.07Å |
| 323 | W | 96.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 19.8 Ų | 19.8 | 8% | 0.076 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -80.9 | -42 | 177.5 | -166.6 | -100.2 | 0 | 0 | 0 | 112.4 | L17 A18 Q74 Y75 L152 L321 T325 A326 I327 | L17-W323 HydrophobicContact CD2-CH2 4.32Å; L17-W323 HydrophobicContact CD2-CZ3 4.17Å; L17-W323 HydrophobicContact CG-CH2 4.46Å; A18-W323 HydrophobicContact CB-CH2 4.45Å; Q74-W323 HydrophobicContact CB-CB 4.4Å; Q74-W323 VanDerWaalsContact CB-CD1 3.42Å; Q74-W323 HydrophobicContact CB-CD2 4.26Å; Q74-W323 HydrophobicContact CB-CG 3.77Å; Q74-W323 HydrophobicContact CG-CB 4.38Å; Q74-W323 HydrophobicContact CG-CD2 3.69Å; Q74-W323 HydrophobicContact CG-CE3 4.3Å; Q74-W323 HydrophobicContact CG-CG 3.67Å; Q74-W323 VanDerWaalsContact NE2-CE2 3.33Å; Y75-W323 HydrophobicContact CE1-CB 4.18Å; Y75-W323 PolarHBondContact OH-N 3.01Å; L152-W323 HydrophobicContact CD2-CZ3 4.33Å; L321-W323 VanDerWaalsContact C-N 3.27Å; L321-W323 PolarHBondContact O-N 2.93Å; W323-T325 PolarHBondContact O-N 2.96Å; W323-A326 WeakPolarHBondContact O-CB 3.3Å; W323-A326 PolarHBondContact O-N 2.87Å; W323-I327 HydrophobicContact CZ2-CD1 4.29Å; W323-I327 WeakPolarHBondContact O-CG1 3.45Å; W323-I327 PolarHBondContact O-N 3.05Å |
| 324 | G | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L321 I327 D328 | L321-G324 PolarHBondContact O-N 2.73Å; G324-I327 PolarHBondContact O-N 3.14Å; G324-D328 PolarHBondContact O-N 2.93Å |
| 325 | T | 93.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.3 | -28.9 | 175.8 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | W67 N311 H314 L321 W323 D328 A329 | W67-T325 HydrophobicContact CB-CG2 4.38Å; W67-T325 HydrophobicContact CD2-CG2 3.55Å; W67-T325 HydrophobicContact CE3-CG2 3.8Å; W67-T325 HydrophobicContact CG-CG2 3.8Å; W67-T325 HydrophobicContact CZ2-CG2 4.47Å; W67-T325 HydrophobicContact CZ3-CG2 4.36Å; N311-T325 VanDerWaalsContact ND2-C 3.32Å; N311-T325 PolarHBondContact ND2-O 3Å; N311-T325 PolarHBondContact ND2-OG1 2.66Å; N311-T325 VanDerWaalsContact OD1-CB 3.29Å; N311-T325 WeakPolarHBondContact OD1-CB 3.42Å; N311-T325 PolarHBondContact OD1-OG1 3.48Å; H314-T325 PolarHBondContact CE1-OG1 3.18Å; H314-T325 WeakPolarHBondContact NE2-CG2 3.46Å; H314-T325 PolarHBondContact NE2-OG1 2.8Å; L321-T325 HydrophobicContact CB-CG2 4.37Å; L321-T325 PolarHBondContact O-N 3.03Å; L321-T325 PolarHBondContact O-OG1 3.16Å; L321-T325 VanDerWaalsContact O-OG1 3.05Å; W323-T325 PolarHBondContact O-N 2.96Å; T325-D328 PolarHBondContact O-N 2.97Å; T325-A329 WeakPolarHBondContact O-CB 3.39Å; T325-A329 PolarHBondContact O-N 3.41Å |
| 326 | A | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A18 N311 S322 W323 A329 V330 | A18-A326 HydrophobicContact CB-CB 4.11Å; N311-A326 PolarHBondContact ND2-N 2.97Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 3.07Å; W323-A326 WeakPolarHBondContact O-CB 3.3Å; W323-A326 PolarHBondContact O-N 2.87Å; A326-A329 PolarHBondContact O-N 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.23Å; A326-V330 PolarHBondContact O-N 3.1Å |
| 327 | I | 96.1 | Very high | 91.5 | Very high | 40 Ų | 40 | 23 Ų | 23 | 21% | 0.205 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 175 | -65.1 | -63.8 | 0 | 0 | 0 | 111.3 | A18 L70 W323 G324 V330 K331 | A18-I327 HydrophobicContact CB-CD1 4.35Å; L70-I327 HydrophobicContact CD1-CB 3.78Å; L70-I327 HydrophobicContact CD1-CG1 4.25Å; L70-I327 HydrophobicContact CD1-CG2 3.7Å; W323-I327 HydrophobicContact CZ2-CD1 4.29Å; W323-I327 WeakPolarHBondContact O-CG1 3.45Å; W323-I327 PolarHBondContact O-N 3.05Å; G324-I327 PolarHBondContact O-N 3.14Å; I327-V330 WeakPolarHBondContact O-CB 3.3Å; I327-V330 PolarHBondContact O-N 3.22Å; I327-K331 PolarHBondContact O-N 3.3Å |
| 328 | D | 92.3 | Very high | 91.4 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 16% | 0.16 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.4 | -31 | 176.4 | -79 | 12.5 | 0 | 0 | 0 | 112.7 | H66 W67 G324 T325 V330 K331 L332 | H66-D328 IonicContact CD2-OD1 2.75Å; H66-D328 IonicContact CD2-OD2 3.36Å; H66-D328 PolarHBondContact CD2-OD2 3.47Å; H66-D328 VanDerWaalsContact CD2-OD2 3.3Å; H66-D328 IonicContact NE2-OD1 3.12Å; H66-D328 PolarHBondContact NE2-OD1 2.97Å; H66-D328 IonicContact NE2-OD2 3.82Å; H66-D328 PolarHBondContact NE2-OD2 3.13Å; W67-D328 PolarHBondContact NE1-OD2 3.31Å; G324-D328 PolarHBondContact O-N 2.93Å; T325-D328 PolarHBondContact O-N 2.97Å; D328-V330 VanDerWaalsContact C-N 3.3Å; D328-V330 PolarHBondContact O-N 2.91Å; D328-K331 WeakPolarHBondContact O-CB 3.27Å; D328-K331 PolarHBondContact O-N 2.9Å; D328-K331 VanDerWaalsContact O-N 3.15Å; D328-K331 WeakPolarHBondContact OD1-CD 3.25Å; D328-K331 WeakPolarHBondContact OD1-CE 3.4Å; D328-K331 IonicContact OD1-NZ 2.69Å; D328-K331 PolarHBondContact OD1-NZ 3.47Å; D328-L332 WeakPolarHBondContact O-CG 3.47Å; D328-L332 PolarHBondContact O-N 3.36Å |
| 329 | A | 92.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -33.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T15 I309 N311 T325 A326 F333 | T15-A329 HydrophobicContact CG2-CB 3.71Å; I309-A329 HydrophobicContact CG2-CB 4.2Å; N311-A329 HydrophobicContact CB-CB 4.12Å; T325-A329 WeakPolarHBondContact O-CB 3.39Å; T325-A329 PolarHBondContact O-N 3.41Å; A326-A329 PolarHBondContact O-N 3.29Å; A329-F333 WeakPolarHBondContact O-CB 3.25Å; A329-F333 PolarHBondContact O-N 2.95Å |
| 330 | V | 93.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 168.6 | 175.3 | 0 | 0 | 0 | 0 | 111 | A18 I19 N22 Y23 A326 I327 D328 L332 F333 E334 | A18-V330 HydrophobicContact CB-CG2 3.77Å; I19-V330 HydrophobicContact CG1-CG2 3.77Å; N22-V330 HydrophobicContact CB-CG1 4.09Å; Y23-V330 HydrophobicContact CE2-CG1 4.31Å; A326-V330 WeakPolarHBondContact O-CG2 3.23Å; A326-V330 PolarHBondContact O-N 3.1Å; I327-V330 WeakPolarHBondContact O-CB 3.3Å; I327-V330 PolarHBondContact O-N 3.22Å; D328-V330 VanDerWaalsContact C-N 3.3Å; D328-V330 PolarHBondContact O-N 2.91Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.17Å; V330-F333 CarbonylContact O-C 3.55Å; V330-F333 WeakPolarHBondContact O-CA 3.41Å; V330-F333 VanDerWaalsContact O-CB 3.32Å; V330-F333 WeakPolarHBondContact O-CB 3.46Å; V330-F333 PolarHBondContact O-N 3.14Å; V330-E334 VanDerWaalsContact O-CG 3.28Å; V330-E334 WeakPolarHBondContact O-CG 3.3Å; V330-E334 PolarHBondContact O-N 2.83Å |
| 331 | K | 91.8 | Very high | 88.8 | Confident | 88 Ų | 88 | 38 Ų | 38 | 38% | 0.383 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 175.4 | -63.9 | 175.1 | -172.3 | 165 | 0 | 112.2 | H66 I327 D328 F333 E334 N335 | H66-K331 PolarHBondContact NE2-NZ 3.07Å; I327-K331 PolarHBondContact O-N 3.3Å; D328-K331 WeakPolarHBondContact O-CB 3.27Å; D328-K331 PolarHBondContact O-N 2.9Å; D328-K331 VanDerWaalsContact O-N 3.15Å; D328-K331 WeakPolarHBondContact OD1-CD 3.25Å; D328-K331 WeakPolarHBondContact OD1-CE 3.4Å; D328-K331 IonicContact OD1-NZ 2.69Å; D328-K331 PolarHBondContact OD1-NZ 3.47Å; K331-F333 VanDerWaalsContact C-N 3.3Å; K331-F333 PolarHBondContact O-N 3.39Å; K331-E334 PolarHBondContact O-N 3.34Å; K331-N335 PolarHBondContact O-N 2.86Å; K331-N335 PolarHBondContact O-ND2 2.93Å |
| 332 | L | 90.2 | Very high | 87.3 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 45% | 0.45 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 174.2 | -66.9 | 175.7 | 0 | 0 | 0 | 111.4 | I309 D328 V330 N335 V336 | I309-L332 HydrophobicContact CD1-CB 4.43Å; I309-L332 HydrophobicContact CG1-CB 4.25Å; I309-L332 HydrophobicContact CG2-CB 3.96Å; I309-L332 HydrophobicContact CG2-CD1 4.05Å; D328-L332 WeakPolarHBondContact O-CG 3.47Å; D328-L332 PolarHBondContact O-N 3.36Å; V330-L332 VanDerWaalsContact C-N 3.33Å; V330-L332 PolarHBondContact O-N 3.17Å; L332-N335 PolarHBondContact O-N 3.45Å; L332-V336 PolarHBondContact O-N 3.31Å; L332-V336 VanDerWaalsContact O-N 3.11Å |
| 333 | F | 90.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175.9 | -174.3 | -95.6 | 0 | 0 | 0 | 113 | M1 V3 Y23 L26 V191 I309 A329 V330 K331 N335 V336 L337 | M1-F333 HydrophobicContact CE-CE2 4.04Å; M1-F333 HydrophobicContact CE-CZ 3.9Å; V3-F333 HydrophobicContact CG1-CE2 4.22Å; V3-F333 HydrophobicContact CG2-CE2 3.49Å; V3-F333 VanDerWaalsContact CG2-CE2 3.49Å; V3-F333 HydrophobicContact CG2-CZ 3.52Å; Y23-F333 AromaticContact CD2-CD1 3.88Å; Y23-F333 HydrophobicContact CD2-CD1 3.88Å; Y23-F333 AromaticContact CD2-CE1 3.86Å; Y23-F333 HydrophobicContact CD2-CE1 3.86Å; Y23-F333 AromaticContact CE2-CD1 3.72Å; Y23-F333 HydrophobicContact CE2-CD1 3.72Å; Y23-F333 HydrophobicContact CE2-CE1 4.05Å; Y23-F333 HydrophobicContact CG-CE1 4.49Å; L26-F333 HydrophobicContact CD1-CE1 3.48Å; L26-F333 VanDerWaalsContact CD1-CE1 3.48Å; L26-F333 HydrophobicContact CD1-CZ 3.53Å; V191-F333 HydrophobicContact CB-CD2 4.36Å; V191-F333 HydrophobicContact CB-CE2 3.93Å; V191-F333 HydrophobicContact CG1-CD2 3.98Å; V191-F333 HydrophobicContact CG1-CE2 4.06Å; V191-F333 HydrophobicContact CG2-CD2 4.41Å; V191-F333 HydrophobicContact CG2-CE2 3.9Å; I309-F333 HydrophobicContact CD1-CB 3.58Å; I309-F333 HydrophobicContact CD1-CD2 3.74Å; I309-F333 HydrophobicContact CD1-CG 4.15Å; A329-F333 WeakPolarHBondContact O-CB 3.25Å; A329-F333 PolarHBondContact O-N 2.95Å; V330-F333 CarbonylContact O-C 3.55Å; V330-F333 WeakPolarHBondContact O-CA 3.41Å; V330-F333 VanDerWaalsContact O-CB 3.32Å; V330-F333 WeakPolarHBondContact O-CB 3.46Å; V330-F333 PolarHBondContact O-N 3.14Å; K331-F333 VanDerWaalsContact C-N 3.3Å; K331-F333 PolarHBondContact O-N 3.39Å; F333-N335 VanDerWaalsContact C-N 3.25Å; F333-N335 PolarHBondContact O-N 3.41Å; F333-V336 PolarHBondContact O-N 2.89Å; F333-L337 HydrophobicContact CD1-CD1 3.89Å; F333-L337 HydrophobicContact CD1-CG 4.13Å; F333-L337 HydrophobicContact CE1-CD1 3.49Å; F333-L337 VanDerWaalsContact CE1-CD1 3.49Å; F333-L337 HydrophobicContact CE1-CD2 4.1Å; F333-L337 HydrophobicContact CE1-CG 3.7Å; F333-L337 HydrophobicContact CZ-CD1 4.33Å; F333-L337 HydrophobicContact CZ-CD2 4.14Å; F333-L337 HydrophobicContact CZ-CG 4.12Å; F333-L337 PolarHBondContact O-N 3.27Å |
| 334 | E | 89.6 | Confident | 82.3 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 172.6 | -39.3 | -163.5 | 150.4 | 0 | 0 | 111.7 | Y23 V330 K331 V336 L337 K338 | Y23-E334 HydrophobicContact CE2-CG 4.47Å; Y23-E334 VanDerWaalsContact OH-CG 3.26Å; Y23-E334 WeakPolarHBondContact OH-CG 3.45Å; V330-E334 VanDerWaalsContact O-CG 3.28Å; V330-E334 WeakPolarHBondContact O-CG 3.3Å; V330-E334 PolarHBondContact O-N 2.83Å; K331-E334 PolarHBondContact O-N 3.34Å; E334-V336 VanDerWaalsContact C-N 3.31Å; E334-V336 PolarHBondContact O-N 2.82Å; E334-L337 WeakPolarHBondContact O-CB 3.41Å; E334-L337 PolarHBondContact O-N 3.13Å; E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 WeakPolarHBondContact O-CD 3.48Å; E334-K338 WeakPolarHBondContact O-CG 3.35Å; E334-K338 PolarHBondContact O-N 2.94Å; E334-K338 IonicContact OE2-NZ 2.68Å; E334-K338 PolarHBondContact OE2-NZ 3.4Å |
| 335 | N | 87.9 | Confident | 79.4 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -33.2 | -178.1 | -66.8 | -19.8 | 0 | 0 | 0 | 111.6 | K331 L332 F333 K338 S339 | K331-N335 PolarHBondContact O-N 2.86Å; K331-N335 PolarHBondContact O-ND2 2.93Å; L332-N335 PolarHBondContact O-N 3.45Å; F333-N335 VanDerWaalsContact C-N 3.25Å; F333-N335 PolarHBondContact O-N 3.41Å; N335-K338 PolarHBondContact OD1-NZ 3.5Å; N335-S339 WeakPolarHBondContact O-CB 3.5Å; N335-S339 PolarHBondContact O-N 3.39Å; N335-S339 PolarHBondContact O-OG 3.06Å |
| 336 | V | 86 | Confident | 78.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.2 | -46.9 | 169.4 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | V191 P307 I309 L332 F333 E334 K338 S339 S340 | V191-V336 HydrophobicContact CG2-CG1 3.67Å; P307-V336 HydrophobicContact CB-CG1 3.77Å; P307-V336 HydrophobicContact CB-CG2 4.18Å; P307-V336 HydrophobicContact CG-CG1 3.68Å; I309-V336 HydrophobicContact CD1-CG2 4.25Å; I309-V336 HydrophobicContact CG1-CG2 4.29Å; L332-V336 PolarHBondContact O-N 3.31Å; L332-V336 VanDerWaalsContact O-N 3.11Å; F333-V336 PolarHBondContact O-N 2.89Å; E334-V336 VanDerWaalsContact C-N 3.31Å; E334-V336 PolarHBondContact O-N 2.82Å; V336-K338 VanDerWaalsContact C-N 3.33Å; V336-K338 PolarHBondContact O-N 3.24Å; V336-S339 PolarHBondContact O-N 3.1Å; V336-S339 VanDerWaalsContact O-N 3.13Å; V336-S340 PolarHBondContact O-N 2.79Å; V336-S340 PolarHBondContact O-OG 2.83Å |
| 337 | L | 85.2 | Confident | 77.8 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.042 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.8 | -40.8 | 176.1 | -75.3 | 177.7 | 0 | 0 | 0 | 113.4 | M1 Y23 F333 E334 S340 G341 T342 I343 | M1-L337 HydrophobicContact CE-CD2 3.56Å; M1-L337 HydrophobicContact CE-CG 4.49Å; M1-L337 HydrophobicContact SD-CD2 3.45Å; M1-L337 WeakPolarHBondContact SD-CD2 3.36Å; Y23-L337 HydrophobicContact CD1-CD1 4.24Å; Y23-L337 HydrophobicContact CD2-CD1 4.47Å; Y23-L337 HydrophobicContact CE1-CD1 3.72Å; Y23-L337 HydrophobicContact CE2-CD1 3.96Å; F333-L337 HydrophobicContact CD1-CD1 3.89Å; F333-L337 HydrophobicContact CD1-CG 4.13Å; F333-L337 HydrophobicContact CE1-CD1 3.49Å; F333-L337 VanDerWaalsContact CE1-CD1 3.49Å; F333-L337 HydrophobicContact CE1-CD2 4.1Å; F333-L337 HydrophobicContact CE1-CG 3.7Å; F333-L337 HydrophobicContact CZ-CD1 4.33Å; F333-L337 HydrophobicContact CZ-CD2 4.14Å; F333-L337 HydrophobicContact CZ-CG 4.12Å; F333-L337 PolarHBondContact O-N 3.27Å; E334-L337 WeakPolarHBondContact O-CB 3.41Å; E334-L337 PolarHBondContact O-N 3.13Å; L337-S340 PolarHBondContact O-OG 2.77Å; L337-G341 PolarHBondContact O-N 3.12Å; L337-T342 HydrophobicContact CD2-CG2 4.11Å; L337-T342 PolarHBondContact O-N 3.02Å; L337-I343 HydrophobicContact CB-CD1 3.86Å; L337-I343 HydrophobicContact CB-CG1 3.7Å; L337-I343 HydrophobicContact CD1-CD1 4.32Å; L337-I343 HydrophobicContact CD1-CG1 4.38Å |
| 338 | K | 83.6 | Confident | 76.8 | Confident | 105 Ų | 105 | 68.2 Ų | 68.2 | 46% | 0.457 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.7 | -68.9 | 159.7 | -161.8 | 163.5 | 0 | 110.2 | E334 N335 V336 S340 G341 I343 | E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 WeakPolarHBondContact O-CD 3.48Å; E334-K338 WeakPolarHBondContact O-CG 3.35Å; E334-K338 PolarHBondContact O-N 2.94Å; E334-K338 IonicContact OE2-NZ 2.68Å; E334-K338 PolarHBondContact OE2-NZ 3.4Å; N335-K338 PolarHBondContact OD1-NZ 3.5Å; V336-K338 VanDerWaalsContact C-N 3.33Å; V336-K338 PolarHBondContact O-N 3.24Å; K338-S340 PolarHBondContact O-N 2.64Å; K338-G341 PolarHBondContact O-N 3.28Å; K338-I343 HydrophobicContact CG-CD1 3.69Å; K338-I343 HydrophobicContact CG-CG1 4.45Å |
| 339 | S | 78 | Confident | 75.9 | Confident | 110 Ų | 110 | 70.5 Ų | 70.5 | 77% | 0.769 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.7 | -30.3 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 113.5 | N335 V336 G341 | N335-S339 WeakPolarHBondContact O-CB 3.5Å; N335-S339 PolarHBondContact O-N 3.39Å; N335-S339 PolarHBondContact O-OG 3.06Å; V336-S339 PolarHBondContact O-N 3.1Å; V336-S339 VanDerWaalsContact O-N 3.13Å; S339-G341 VanDerWaalsContact C-N 3.3Å |
| 340 | S | 73.9 | Confident | 74.8 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 46% | 0.455 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 7.2 | 174.7 | 63.2 | 0 | 0 | 0 | 0 | 114 | V336 L337 K338 T342 | V336-S340 PolarHBondContact O-N 2.79Å; V336-S340 PolarHBondContact O-OG 2.83Å; L337-S340 PolarHBondContact O-OG 2.77Å; K338-S340 PolarHBondContact O-N 2.64Å; S340-T342 PolarHBondContact O-N 3.31Å; S340-T342 PolarHBondContact O-OG1 2.96Å; S340-T342 VanDerWaalsContact O-OG1 3.14Å; S340-T342 PolarHBondContact OG-OG1 3Å |
| 341 | G | 65.2 | Low | 73.6 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 54% | 0.536 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L337 K338 S339 | L337-G341 PolarHBondContact O-N 3.12Å; K338-G341 PolarHBondContact O-N 3.28Å; S339-G341 VanDerWaalsContact C-N 3.3Å |
| 342 | T | 61.7 | Low | 72.3 | Confident | 71 Ų | 71 | 78.7 Ų | 78.7 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | trans | -91.3 | -10.9 | -169.5 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | M1 L337 S340 H344 | M1-T342 HydrophobicContact SD-CG2 3.94Å; L337-T342 HydrophobicContact CD2-CG2 4.11Å; L337-T342 PolarHBondContact O-N 3.02Å; S340-T342 PolarHBondContact O-N 3.31Å; S340-T342 PolarHBondContact O-OG1 2.96Å; S340-T342 VanDerWaalsContact O-OG1 3.14Å; S340-T342 PolarHBondContact OG-OG1 3Å; T342-H344 PolarHBondContact O-N 2.68Å | ||
| 343 | I | 49.8 | Very low | 70.9 | Confident | 69 Ų | 69 | 78.2 Ų | 78.2 | 35% | 0.354 | 47% | 0.466 | S | S | . | . | trans | -88.5 | 99.2 | 175.2 | -49.8 | -167 | 0 | 0 | 0 | 110.6 | L337 K338 | L337-I343 HydrophobicContact CB-CD1 3.86Å; L337-I343 HydrophobicContact CB-CG1 3.7Å; L337-I343 HydrophobicContact CD1-CD1 4.32Å; L337-I343 HydrophobicContact CD1-CG1 4.38Å; K338-I343 HydrophobicContact CG-CD1 3.69Å; K338-I343 HydrophobicContact CG-CG1 4.45Å | ||
| 344 | H | 36.3 | Very low | 69.3 | Low | 182 Ų | 182 | 84.7 Ų | 84.7 | 84% | 0.843 | 51% | 0.505 | S | S | * | . | trans | -133.1 | 45.6 | 172.7 | -86.5 | -8.7 | 0 | 0 | 0 | 112.4 | T342 | T342-H344 PolarHBondContact O-N 2.68Š| ||
| 345 | S | 34.2 | Very low | 67.4 | Low | 180 Ų | 180 | 86.6 Ų | 86.6 | 100% | 1.259 | 52% | 0.524 | S | S | * | . | trans | -167.8 | 0 | 159.2 | 60 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 345 of 345 residues in 170.4 ms
(Link to these results)