| 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 | 67.2 | Low | 92 | Very high | 243 Ų | 243 | 90.2 Ų | 90.2 | 100% | 1.197 | 42% | 0.418 | S | S | * | . | 0 | 137.9 | 0 | -155.1 | 170.9 | -171.3 | 0 | 0 | 107.2 | |||||
| 2 | S | 85.7 | Confident | 92.5 | Very high | 122 Ų | 122 | 82.7 Ų | 82.7 | 85% | 0.853 | 38% | 0.383 | S | S | * | . | trans | -70.6 | 138.4 | 178.8 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | I | 91.8 | Very high | 92.9 | Very high | 36 Ų | 36 | 76.5 Ų | 76.5 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | trans | -78.2 | 125.6 | -179.8 | -62.7 | 171.2 | 0 | 0 | 0 | 109.3 | R5 Y9 E107 Y108 | I3-R5 PolarHBondContact O-N 2.86Å; I3-Y9 HydrophobicContact CG2-CE2 3.86Å; I3-E107 HydrophobicContact CD1-CG 3.66Å; I3-E107 WeakPolarHBondContact CD1-O 3.37Å; I3-Y108 HydrophobicContact CD1-CD1 4.2Å; I3-Y108 HydrophobicContact CD1-CE1 4.31Å; I3-Y108 HydrophobicContact CD1-CG 4.36Å; I3-Y108 HydrophobicContact CG1-CD1 4.44Å; I3-Y108 HydrophobicContact CG1-CE1 4.29Å; I3-Y108 HydrophobicContact CG2-CD1 4.04Å; I3-Y108 HydrophobicContact CG2-CE1 4.5Å | ||
| 4 | D | 94.1 | Very high | 93.1 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | trans | -75.8 | 89.1 | 178.8 | -174 | -2.2 | 0 | 0 | 0 | 111.3 | R6 R7 Y9 | D4-R6 PolarHBondContact O-N 3.39Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 IonicContact OD1-CZ 3.55Å; D4-R6 PolarHBondContact OD1-N 3.18Å; D4-R6 IonicContact OD1-NE 2.83Å; D4-R6 PolarHBondContact OD1-NE 3.2Å; D4-R6 IonicContact OD1-NH2 3.39Å; D4-R6 PolarHBondContact OD1-NH2 3.47Å; D4-R6 IonicContact OD2-CZ 3.67Å; D4-R6 IonicContact OD2-NE 3.61Å; D4-R6 IonicContact OD2-NH2 2.86Å; D4-R6 PolarHBondContact OD2-NH2 3.01Å; D4-R7 HydrophobicContact CB-CG 4.34Å; D4-R7 PolarHBondContact O-N 2.83Å; D4-R7 IonicContact OD2-NE 2.65Å; D4-Y9 PolarHBondContact N-OH 3.34Å; D4-Y9 VanDerWaalsContact O-CE2 3.32Å; D4-Y9 WeakPolarHBondContact O-CE2 3.34Å; D4-Y9 PolarHBondContact O-OH 2.67Å | ||
| 5 | R | 92.6 | Very high | 93.2 | Very high | 152 Ų | 152 | 68 Ų | 68 | 57% | 0.574 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -5.3 | -179 | -61.2 | -65.3 | -177.3 | -174.9 | -3.8 | 115.1 | I3 R7 E107 Y108 | I3-R5 PolarHBondContact O-N 2.86Å; R5-R7 VanDerWaalsContact C-N 3.27Å; R5-E107 PolarHBondContact NH1-O 2.85Å; R5-E107 PolarHBondContact NH2-O 2.77Å; R5-Y108 PolarHBondContact NH1-O 3.24Å; R5-Y108 VanDerWaalsContact NH1-O 3.08Å |
| 6 | R | 93.5 | Very high | 93.2 | Very high | 216 Ų | 216 | 64.8 Ų | 64.8 | 82% | 0.815 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -16.2 | 172.1 | -58.7 | 170.3 | -63 | 178.3 | 5 | 112.3 | D4 | D4-R6 PolarHBondContact O-N 3.39Å; D4-R6 WeakPolarHBondContact OD1-CB 3.32Å; D4-R6 IonicContact OD1-CZ 3.55Å; D4-R6 PolarHBondContact OD1-N 3.18Å; D4-R6 IonicContact OD1-NE 2.83Å; D4-R6 PolarHBondContact OD1-NE 3.2Å; D4-R6 IonicContact OD1-NH2 3.39Å; D4-R6 PolarHBondContact OD1-NH2 3.47Å; D4-R6 IonicContact OD2-CZ 3.67Å; D4-R6 IonicContact OD2-NE 3.61Å; D4-R6 IonicContact OD2-NH2 2.86Å; D4-R6 PolarHBondContact OD2-NH2 3.01Å |
| 7 | R | 95.2 | Very high | 93.1 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -87.7 | 147.5 | 177.2 | -59.8 | -174.2 | -177.6 | -136.1 | 10.2 | 110.3 | D4 R5 Y9 D44 N48 Y50 | D4-R7 HydrophobicContact CB-CG 4.34Å; D4-R7 PolarHBondContact O-N 2.83Å; D4-R7 IonicContact OD2-NE 2.65Å; R5-R7 VanDerWaalsContact C-N 3.27Å; R7-Y9 HydrophobicContact CB-CD2 4.38Å; R7-Y9 HydrophobicContact CB-CE1 4.4Å; R7-Y9 HydrophobicContact CB-CE2 3.76Å; R7-Y9 WeakPolarHBondContact O-CD2 3.42Å; R7-D44 HydrophobicContact CB-CB 4.41Å; R7-D44 IonicContact CZ-OD2 3.62Å; R7-D44 IonicContact NH1-OD2 3.8Å; R7-D44 PolarHBondContact NH1-OD2 2.96Å; R7-N48 PolarHBondContact NH1-ND2 3.01Å; R7-Y50 WeakPolarHBondContact CD-OH 3.17Å; R7-Y50 VanDerWaalsContact CZ-OH 3.28Å; R7-Y50 PolarHBondContact NE-OH 3.46Å; R7-Y50 PolarHBondContact NH1-OH 2.89Å |
| 8 | H | 96.8 | Very high | 93.1 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | trans | -92.5 | 112.3 | 170.4 | -174.7 | -169.3 | 0 | 0 | 0 | 109 | D44 T45 E112 W148 | H8-D44 VanDerWaalsContact O-CA 3.31Å; H8-D44 WeakPolarHBondContact O-CA 3.44Å; H8-T45 HydrophobicContact CB-CG2 4.19Å; H8-T45 PolarHBondContact O-N 2.93Å; H8-T45 VanDerWaalsContact O-N 3.11Å; H8-E112 IonicContact CE1-OE1 3.64Å; H8-E112 PolarHBondContact CE1-OE1 3.23Å; H8-E112 IonicContact NE2-OE1 3.36Å; H8-E112 PolarHBondContact NE2-OE1 2.9Å; H8-E112 IonicContact NE2-OE2 2.77Å; H8-E112 PolarHBondContact NE2-OE2 3.08Å; H8-W148 AromaticContact CE1-CH2 3.68Å | ||
| 9 | Y | 98.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 145.2 | 179 | -61.2 | -84.7 | 0 | 0 | 0 | 111.3 | I3 D4 R7 V42 M43 D44 Y50 Y108 | I3-Y9 HydrophobicContact CG2-CE2 3.86Å; D4-Y9 PolarHBondContact N-OH 3.34Å; D4-Y9 VanDerWaalsContact O-CE2 3.32Å; D4-Y9 WeakPolarHBondContact O-CE2 3.34Å; D4-Y9 PolarHBondContact O-OH 2.67Å; R7-Y9 HydrophobicContact CB-CD2 4.38Å; R7-Y9 HydrophobicContact CB-CE1 4.4Å; R7-Y9 HydrophobicContact CB-CE2 3.76Å; R7-Y9 WeakPolarHBondContact O-CD2 3.42Å; Y9-V42 HydrophobicContact CD1-CG1 4.39Å; Y9-M43 CarbonylContact C-O 3.54Å; Y9-M43 VanDerWaalsContact CA-O 3.32Å; Y9-M43 WeakPolarHBondContact CA-O 3.06Å; Y9-D44 HydrophobicContact CD1-CB 4.38Å; Y9-Y50 HydrophobicContact CD1-CD2 4.02Å; Y9-Y50 HydrophobicContact CD1-CE2 4.01Å; Y9-Y50 HydrophobicContact CE1-CD1 4.2Å; Y9-Y50 AromaticContact CE1-CD2 3.71Å; Y9-Y50 HydrophobicContact CE1-CD2 3.71Å; Y9-Y50 AromaticContact CE1-CE1 4Å; Y9-Y50 HydrophobicContact CE1-CE1 4Å; Y9-Y50 AromaticContact CE1-CE2 3.51Å; Y9-Y50 HydrophobicContact CE1-CE2 3.51Å; Y9-Y50 HydrophobicContact CE1-CG 4.06Å; Y9-Y50 AromaticContact CE1-CZ 3.66Å; Y9-Y108 AromaticContact CD1-CD1 3.9Å; Y9-Y108 HydrophobicContact CD1-CD1 3.9Å; Y9-Y108 AromaticContact CE1-CD1 3.94Å; Y9-Y108 HydrophobicContact CE1-CD1 3.94Å; Y9-Y108 HydrophobicContact CE1-CE1 4.36Å; Y9-Y108 HydrophobicContact CG-CD1 4.24Å |
| 10 | V | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.5 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | M43 T45 E112 V114 W148 M214 | V10-M43 HydrophobicContact CG2-CE 4.42Å; V10-M43 HydrophobicContact CG2-CG 3.7Å; V10-M43 HydrophobicContact CG2-SD 4.42Å; V10-M43 PolarHBondContact N-O 3.45Å; V10-M43 PolarHBondContact O-N 3.01Å; V10-T45 HydrophobicContact CG1-CG2 4.38Å; V10-E112 HydrophobicContact CG1-CB 4.11Å; V10-V114 HydrophobicContact CB-CG2 3.92Å; V10-V114 HydrophobicContact CG1-CG2 4.49Å; V10-V114 HydrophobicContact CG2-CG2 3.91Å; V10-W148 HydrophobicContact CG1-CE3 4.38Å; V10-W148 HydrophobicContact CG1-CH2 4Å; V10-W148 HydrophobicContact CG1-CZ3 3.75Å; V10-M214 HydrophobicContact CG2-CE 4.17Å; V10-M214 HydrophobicContact CG2-SD 4.5Å |
| 11 | L | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.5 | 171 | -174.6 | 148.7 | 0 | 0 | 0 | 108.3 | L13 W40 C41 M101 M105 I110 E112 V113 V114 | L11-L13 HydrophobicContact CD2-CB 3.95Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 4.42Å; L11-W40 HydrophobicContact CD1-CG 4.2Å; L11-W40 HydrophobicContact CD2-CB 3.81Å; L11-W40 HydrophobicContact CD2-CG 4.18Å; L11-W40 HydrophobicContact CG-CB 4.17Å; L11-W40 HydrophobicContact CG-CG 4.23Å; L11-C41 WeakPolarHBondContact CA-O 3.38Å; L11-M101 HydrophobicContact CD1-CG 3.73Å; L11-M101 HydrophobicContact CD2-CG 4.38Å; L11-M101 HydrophobicContact CD2-SD 4.44Å; L11-M105 HydrophobicContact CD1-CG 3.76Å; L11-I110 HydrophobicContact CB-CD1 4.17Å; L11-I110 HydrophobicContact CB-CG2 4.12Å; L11-E112 PolarHBondContact N-O 3.44Å; L11-V113 HydrophobicContact CB-CG2 4.43Å; L11-V113 HydrophobicContact CD2-CG1 4.24Å; L11-V113 HydrophobicContact CD2-CG2 4.47Å; L11-V113 CarbonylContact O-C 3.5Å; L11-V113 VanDerWaalsContact O-CA 3.27Å; L11-V113 WeakPolarHBondContact O-CA 3.12Å; L11-V114 PolarHBondContact O-N 2.83Å |
| 12 | L | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.6 | 173.9 | -168.9 | 156.2 | 0 | 0 | 0 | 108.7 | W40 C41 M43 V114 V207 E210 R211 | L12-W40 CarbonylContact O-C 3.55Å; L12-W40 WeakPolarHBondContact O-CA 3.35Å; L12-W40 VanDerWaalsContact O-CB 3.24Å; L12-W40 WeakPolarHBondContact O-CB 3.31Å; L12-C41 PolarHBondContact N-O 2.88Å; L12-C41 PolarHBondContact O-N 2.77Å; L12-M43 HydrophobicContact CB-SD 4.13Å; L12-M43 HydrophobicContact CD1-SD 4.08Å; L12-V114 CarbonylContact C-O 3.56Å; L12-V114 VanDerWaalsContact CA-O 3.28Å; L12-V114 WeakPolarHBondContact CA-O 3.31Å; L12-V114 HydrophobicContact CB-CB 4.21Å; L12-V114 HydrophobicContact CD1-CB 4.4Å; L12-V114 HydrophobicContact CD1-CG1 4.25Å; L12-V114 HydrophobicContact CG-CB 4.11Å; L12-V114 HydrophobicContact CG-CG1 4.37Å; L12-V207 HydrophobicContact CD2-CB 4.06Å; L12-V207 HydrophobicContact CD2-CG1 3.71Å; L12-V207 HydrophobicContact CD2-CG2 4.23Å; L12-V207 WeakPolarHBondContact CD2-O 3.3Å; L12-E210 HydrophobicContact CD1-CB 4.05Å; L12-E210 HydrophobicContact CD2-CB 3.72Å; L12-E210 HydrophobicContact CG-CB 4.42Å; L12-R211 HydrophobicContact CD1-CB 4.19Å |
| 13 | L | 97.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.1 | -178.2 | 70.2 | 91 | 0 | 0 | 0 | 112.4 | L11 T15 G39 W40 M101 V113 V114 A115 D121 L125 F141 | L11-L13 HydrophobicContact CD2-CB 3.95Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 4.42Å; L13-T15 HydrophobicContact CD1-CG2 4.1Å; L13-G39 VanDerWaalsContact CA-O 3.24Å; L13-G39 WeakPolarHBondContact CA-O 3.09Å; L13-G39 WeakPolarHBondContact CB-O 3.29Å; L13-W40 HydrophobicContact CB-CB 3.79Å; L13-M101 HydrophobicContact CD2-CE 4.36Å; L13-M101 HydrophobicContact CD2-SD 4.45Å; L13-V113 HydrophobicContact CD2-CG1 3.33Å; L13-V113 HydrophobicContact CG-CG1 4.15Å; L13-V114 PolarHBondContact N-O 2.93Å; L13-A115 HydrophobicContact CD1-CB 4.25Å; L13-A115 HydrophobicContact CG-CB 4.42Å; L13-A115 WeakPolarHBondContact O-CB 3.06Å; L13-D121 HydrophobicContact CD1-CB 3.6Å; L13-L125 HydrophobicContact CD1-CD1 4.18Å; L13-L125 HydrophobicContact CD2-CD1 4.14Å; L13-F141 HydrophobicContact CD2-CE1 4.38Å; L13-F141 HydrophobicContact CD2-CE2 4.37Å; L13-F141 HydrophobicContact CD2-CZ 3.54Å |
| 14 | D | 95.9 | Very high | 91.9 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.7 | 168.7 | 176.4 | 67.7 | 0 | 0 | 0 | 109.4 | G39 D206 V207 | D14-G39 PolarHBondContact N-O 2.73Å; D14-G39 PolarHBondContact O-N 2.92Å; D14-G39 VanDerWaalsContact O-N 3.09Å; D14-D206 HydrophobicContact CB-CB 4.26Å; D14-V207 HydrophobicContact CB-CG2 3.83Å |
| 15 | T | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.5 | -178.9 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | L13 V35 C38 D121 L125 | L13-T15 HydrophobicContact CD1-CG2 4.1Å; T15-V35 HydrophobicContact CG2-CG1 3.95Å; T15-V35 HydrophobicContact CG2-CG2 4.21Å; T15-C38 HydrophobicContact CG2-CB 4.42Å; T15-D121 HydrophobicContact CG2-CB 4.47Å; T15-D121 PolarHBondContact N-OD1 2.89Å; T15-D121 PolarHBondContact OG1-OD1 3.26Å; T15-L125 HydrophobicContact CG2-CD1 4.36Å; T15-L125 HydrophobicContact CG2-CD2 4.07Å; T15-L125 HydrophobicContact CG2-CG 4.13Å |
| 16 | E | 92.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.8 | 170 | -70.5 | -65.6 | 173.6 | 0 | 0 | 111.5 | V35 Y36 D37 Y73 H201 | E16-V35 WeakPolarHBondContact O-CA 3.38Å; E16-Y36 HydrophobicContact CB-CD1 4.45Å; E16-Y36 HydrophobicContact CB-CE1 3.8Å; E16-Y36 HydrophobicContact CB-CE2 4.02Å; E16-Y36 WeakPolarHBondContact O-CD1 3.23Å; E16-Y36 PolarHBondContact O-N 3.22Å; E16-D37 HydrophobicContact CB-CB 3.94Å; E16-D37 HydrophobicContact CG-CB 4.39Å; E16-D37 PolarHBondContact N-O 3.01Å; E16-D37 PolarHBondContact O-N 3.47Å; E16-Y73 WeakPolarHBondContact OE1-CE2 3.41Å; E16-Y73 VanDerWaalsContact OE2-CD2 3.31Å; E16-Y73 WeakPolarHBondContact OE2-CD2 3.33Å; E16-Y73 WeakPolarHBondContact OE2-CE2 3.12Å; E16-H201 WeakPolarHBondContact OE1-CB 3.44Å; E16-H201 IonicContact OE1-CG 3.79Å; E16-H201 IonicContact OE1-ND1 3.43Å |
| 17 | T | 92.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.6 | -167.8 | 71.3 | 0 | 0 | 0 | 0 | 115.5 | V33 L34 V35 Y36 F120 A124 | T17-V33 HydrophobicContact CG2-CB 4.22Å; T17-V33 HydrophobicContact CG2-CG2 4.21Å; T17-L34 CarbonylContact C-O 3.52Å; T17-L34 VanDerWaalsContact CA-O 3.3Å; T17-L34 WeakPolarHBondContact CA-O 3.13Å; T17-V35 HydrophobicContact CG2-CG2 4.04Å; T17-Y36 VanDerWaalsContact C-CD1 3.5Å; T17-Y36 VanDerWaalsContact C-CE1 3.44Å; T17-Y36 WeakPolarHBondContact O-CE1 2.94Å; T17-F120 HydrophobicContact CG2-CE1 3.89Å; T17-F120 HydrophobicContact CG2-CZ 3.8Å; T17-A124 HydrophobicContact CG2-CB 4.06Å |
| 18 | A | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -175.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V33 L34 Y36 M68 A71 | A18-V33 VanDerWaalsContact O-CA 3.26Å; A18-V33 WeakPolarHBondContact O-CA 3.28Å; A18-L34 PolarHBondContact N-O 2.84Å; A18-L34 PolarHBondContact O-N 2.81Å; A18-Y36 HydrophobicContact CB-CD1 4Å; A18-M68 HydrophobicContact CB-SD 3.79Å; A18-A71 HydrophobicContact CB-CB 4.04Å |
| 19 | N | 89.8 | Confident | 89.1 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | trans | 63.9 | 39.3 | -178.5 | -161.7 | 37.3 | 0 | 0 | 0 | 113.2 | S32 L34 L67 S70 | N19-S32 PolarHBondContact ND2-O 2.92Å; N19-L34 HydrophobicContact CB-CG 4.48Å; N19-L67 HydrophobicContact CB-CD1 4.31Å; N19-S70 VanDerWaalsContact CA-OG 3.24Å; N19-S70 WeakPolarHBondContact CA-OG 3.27Å; N19-S70 PolarHBondContact N-OG 2.88Å; N19-S70 VanDerWaalsContact N-OG 3.08Å | ||
| 20 | T | 85.8 | Confident | 88.5 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | trans | -86 | 128.8 | 170.7 | -59.1 | 0 | 0 | 0 | 0 | 108.8 | L28 M30 | T20-L28 HydrophobicContact CG2-CB 3.73Å; T20-L28 HydrophobicContact CG2-CD1 4.42Å; T20-L28 HydrophobicContact CG2-CD2 3.76Å; T20-L28 HydrophobicContact CG2-CG 4.16Å; T20-M30 HydrophobicContact CG2-CG 3.94Å | ||
| 21 | I | 80.9 | Confident | 88 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.9 | -177.7 | -58.6 | 172 | 0 | 0 | 0 | 108.7 | D29 | I21-D29 HydrophobicContact CB-CB 4.43Å; I21-D29 PolarHBondContact N-O 3.15Å; I21-D29 VanDerWaalsContact N-O 3.12Å; I21-D29 WeakPolarHBondContact O-CA 3.42Å; I21-D29 WeakPolarHBondContact O-CB 3.28Å; I21-D29 PolarHBondContact O-N 3.13Å |
| 22 | T | 80.2 | Confident | 87.6 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.4 | 171.7 | -54.8 | 0 | 0 | 0 | 0 | 109.5 | G26 R27 | T22-G26 VanDerWaalsContact CG2-CA 3.5Å; T22-R27 CarbonylContact C-O 3.58Å; T22-R27 WeakPolarHBondContact CA-O 3.18Å |
| 23 | D | 80.7 | Confident | 87.3 | Confident | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | trans | -69.4 | 170.6 | 175 | 80.6 | 4.5 | 0 | 0 | 0 | 111.9 | K25 G26 R27 | D23-K25 PolarHBondContact O-N 3.3Å; D23-K25 VanDerWaalsContact OD1-C 3.25Å; D23-K25 VanDerWaalsContact OD1-CA 3.24Å; D23-K25 WeakPolarHBondContact OD1-CA 3.26Å; D23-K25 WeakPolarHBondContact OD1-CB 3.4Å; D23-K25 PolarHBondContact OD1-N 2.97Å; D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.11Å; D23-R27 PolarHBondContact N-O 3.26Å; D23-R27 WeakPolarHBondContact OD1-CB 3.48Å; D23-R27 PolarHBondContact OD1-N 3.1Å; D23-R27 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 24 | Q | 81.7 | Confident | 87.2 | Confident | 209 Ų | 209 | 63.9 Ų | 63.9 | 98% | 0.977 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.1 | 179 | -64.1 | -179.9 | -8.5 | 0 | 0 | 114 | ||
| 25 | K | 83 | Confident | 87.2 | Confident | 165 Ų | 165 | 63 Ų | 63 | 72% | 0.717 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.6 | 179.2 | -60.4 | -178 | -180 | 178.5 | 0 | 112.2 | D23 R27 | D23-K25 PolarHBondContact O-N 3.3Å; D23-K25 VanDerWaalsContact OD1-C 3.25Å; D23-K25 VanDerWaalsContact OD1-CA 3.24Å; D23-K25 WeakPolarHBondContact OD1-CA 3.26Å; D23-K25 WeakPolarHBondContact OD1-CB 3.4Å; D23-K25 PolarHBondContact OD1-N 2.97Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 HydrophobicContact CB-CG 4.36Å |
| 26 | G | 80.2 | Confident | 87.2 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 77.3 | 14.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T22 D23 | T22-G26 VanDerWaalsContact CG2-CA 3.5Å; D23-G26 PolarHBondContact O-N 2.98Å; D23-G26 PolarHBondContact OD1-N 3.11Å |
| 27 | R | 82.8 | Confident | 87.2 | Confident | 164 Ų | 164 | 62.1 Ų | 62.1 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | trans | -91.7 | 139.2 | 178.5 | -54.6 | 175.2 | 172.9 | 178 | -4 | 109.9 | T22 D23 K25 D29 | T22-R27 CarbonylContact C-O 3.58Å; T22-R27 WeakPolarHBondContact CA-O 3.18Å; D23-R27 PolarHBondContact N-O 3.26Å; D23-R27 WeakPolarHBondContact OD1-CB 3.48Å; D23-R27 PolarHBondContact OD1-N 3.1Å; D23-R27 WeakPolarHBondContact OD2-CB 3.39Å; K25-R27 VanDerWaalsContact C-N 3.32Å; K25-R27 HydrophobicContact CB-CG 4.36Å; R27-D29 PolarHBondContact O-N 3.39Å | ||
| 28 | L | 83 | Confident | 87.4 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 112.3 | 174.2 | -60.9 | 176.1 | 0 | 0 | 0 | 109.7 | T20 M30 | T20-L28 HydrophobicContact CG2-CB 3.73Å; T20-L28 HydrophobicContact CG2-CD1 4.42Å; T20-L28 HydrophobicContact CG2-CD2 3.76Å; T20-L28 HydrophobicContact CG2-CG 4.16Å; L28-M30 HydrophobicContact CB-CG 4.4Å |
| 29 | D | 84.9 | Confident | 87.6 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 109.1 | 164 | -175.7 | -2.5 | 0 | 0 | 0 | 109.1 | I21 R27 T31 | I21-D29 HydrophobicContact CB-CB 4.43Å; I21-D29 PolarHBondContact N-O 3.15Å; I21-D29 VanDerWaalsContact N-O 3.12Å; I21-D29 WeakPolarHBondContact O-CA 3.42Å; I21-D29 WeakPolarHBondContact O-CB 3.28Å; I21-D29 PolarHBondContact O-N 3.13Å; R27-D29 PolarHBondContact O-N 3.39Å; D29-T31 VanDerWaalsContact OD1-CB 3.25Å; D29-T31 WeakPolarHBondContact OD1-CB 3.32Å; D29-T31 VanDerWaalsContact OD1-CG2 3.25Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.24Å; D29-T31 PolarHBondContact OD1-N 2.82Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; D29-T31 PolarHBondContact OD2-OG1 2.85Å |
| 30 | M | 85.9 | Confident | 88 | Confident | 95 Ų | 95 | 60 Ų | 60 | 47% | 0.468 | 32% | 0.316 | S | S | . | . | trans | -106.7 | 18.1 | 178.4 | -63.6 | 179.1 | -73.6 | 0 | 0 | 112.2 | T20 L28 S32 V33 F120 | T20-M30 HydrophobicContact CG2-CG 3.94Å; L28-M30 HydrophobicContact CB-CG 4.4Å; M30-S32 VanDerWaalsContact C-N 3.27Å; M30-S32 PolarHBondContact O-N 3.41Å; M30-V33 HydrophobicContact CB-CG1 3.82Å; M30-V33 HydrophobicContact CG-CG1 4.27Å; M30-V33 WeakPolarHBondContact O-CG1 3.5Å; M30-V33 WeakPolarHBondContact O-CG2 3.25Å; M30-F120 HydrophobicContact CB-CE2 4.2Å; M30-F120 HydrophobicContact SD-CE2 4.05Å | ||
| 31 | T | 87.3 | Confident | 88.6 | Confident | 109 Ų | 109 | 59.1 Ų | 59.1 | 67% | 0.669 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -18.7 | -179.4 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | D29 L127 | D29-T31 VanDerWaalsContact OD1-CB 3.25Å; D29-T31 WeakPolarHBondContact OD1-CB 3.32Å; D29-T31 VanDerWaalsContact OD1-CG2 3.25Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.24Å; D29-T31 PolarHBondContact OD1-N 2.82Å; D29-T31 PolarHBondContact OD1-OG1 3.27Å; D29-T31 PolarHBondContact OD2-OG1 2.85Å; T31-L127 WeakPolarHBondContact O-CD2 3.2Å |
| 32 | S | 89.7 | Confident | 89.4 | Confident | 49 Ų | 49 | 55 Ų | 55 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 16.9 | -175 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | N19 M30 L127 | N19-S32 PolarHBondContact ND2-O 2.92Å; M30-S32 VanDerWaalsContact C-N 3.27Å; M30-S32 PolarHBondContact O-N 3.41Å; S32-L127 VanDerWaalsContact CA-CD2 3.41Å |
| 33 | V | 93.5 | Very high | 90.3 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | trans | -63.7 | 145.9 | -174.4 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | T17 A18 M30 F120 A124 L127 | T17-V33 HydrophobicContact CG2-CB 4.22Å; T17-V33 HydrophobicContact CG2-CG2 4.21Å; A18-V33 VanDerWaalsContact O-CA 3.26Å; A18-V33 WeakPolarHBondContact O-CA 3.28Å; M30-V33 HydrophobicContact CB-CG1 3.82Å; M30-V33 HydrophobicContact CG-CG1 4.27Å; M30-V33 WeakPolarHBondContact O-CG1 3.5Å; M30-V33 WeakPolarHBondContact O-CG2 3.25Å; V33-F120 HydrophobicContact CG2-CE2 4.24Å; V33-F120 HydrophobicContact CG2-CZ 4.33Å; V33-A124 HydrophobicContact CG2-CB 3.86Å; V33-L127 WeakPolarHBondContact O-CD2 3.49Å | ||
| 34 | L | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 131.3 | 175.8 | -63.1 | 175.5 | 0 | 0 | 0 | 110 | T17 A18 N19 Y36 I60 L67 L127 W131 | T17-L34 CarbonylContact C-O 3.52Å; T17-L34 VanDerWaalsContact CA-O 3.3Å; T17-L34 WeakPolarHBondContact CA-O 3.13Å; A18-L34 PolarHBondContact N-O 2.84Å; A18-L34 PolarHBondContact O-N 2.81Å; N19-L34 HydrophobicContact CB-CG 4.48Å; L34-Y36 PolarHBondContact O-N 2.81Å; L34-I60 HydrophobicContact CB-CD1 4.02Å; L34-I60 HydrophobicContact CB-CG1 4.18Å; L34-I60 HydrophobicContact CB-CG2 3.95Å; L34-I60 HydrophobicContact CD1-CD1 4.01Å; L34-I60 HydrophobicContact CG-CD1 4.45Å; L34-L67 HydrophobicContact CD1-CD1 3.82Å; L34-L127 HydrophobicContact CD2-CG 4.25Å; L34-W131 HydrophobicContact CD1-CD2 4.17Å; L34-W131 HydrophobicContact CD1-CG 4.2Å; L34-W131 HydrophobicContact CD2-CB 3.8Å; L34-W131 HydrophobicContact CD2-CD2 4.35Å; L34-W131 HydrophobicContact CD2-CG 3.84Å |
| 35 | V | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.4 | -175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | T15 E16 T17 D37 C38 N57 I60 A124 L125 L128 | T15-V35 HydrophobicContact CG2-CG1 3.95Å; T15-V35 HydrophobicContact CG2-CG2 4.21Å; E16-V35 WeakPolarHBondContact O-CA 3.38Å; T17-V35 HydrophobicContact CG2-CG2 4.04Å; V35-D37 WeakPolarHBondContact CG1-O 3.37Å; V35-C38 HydrophobicContact CG1-CB 4.02Å; V35-N57 PolarHBondContact O-ND2 3.13Å; V35-I60 WeakPolarHBondContact O-CG1 3.49Å; V35-A124 HydrophobicContact CG2-CB 3.65Å; V35-L125 HydrophobicContact CG2-CD2 4.24Å; V35-L128 HydrophobicContact CB-CD2 4.15Å |
| 36 | Y | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -19.6 | 177.6 | 74 | -96.3 | 0 | 0 | 0 | 113.6 | E16 T17 A18 L34 V56 N57 F61 M68 A71 Y80 | E16-Y36 HydrophobicContact CB-CD1 4.45Å; E16-Y36 HydrophobicContact CB-CE1 3.8Å; E16-Y36 HydrophobicContact CB-CE2 4.02Å; E16-Y36 WeakPolarHBondContact O-CD1 3.23Å; E16-Y36 PolarHBondContact O-N 3.22Å; T17-Y36 VanDerWaalsContact C-CD1 3.5Å; T17-Y36 VanDerWaalsContact C-CE1 3.44Å; T17-Y36 WeakPolarHBondContact O-CE1 2.94Å; A18-Y36 HydrophobicContact CB-CD1 4Å; L34-Y36 PolarHBondContact O-N 2.81Å; Y36-V56 CarbonylContact O-C 3.52Å; Y36-V56 WeakPolarHBondContact O-CA 3.45Å; Y36-N57 PolarHBondContact O-N 2.84Å; Y36-F61 AromaticContact CD2-CD2 3.87Å; Y36-F61 HydrophobicContact CD2-CD2 3.87Å; Y36-F61 HydrophobicContact CD2-CE2 4.48Å; Y36-M68 HydrophobicContact CD1-CE 3.95Å; Y36-M68 HydrophobicContact CD1-SD 4.04Å; Y36-M68 HydrophobicContact CD2-CE 3.79Å; Y36-M68 HydrophobicContact CD2-SD 4.48Å; Y36-M68 HydrophobicContact CE1-CE 4.28Å; Y36-M68 HydrophobicContact CE2-CE 4.12Å; Y36-M68 HydrophobicContact CG-CE 3.7Å; Y36-M68 HydrophobicContact CG-SD 3.84Å; Y36-A71 HydrophobicContact CE1-CB 4.26Å; Y36-Y80 HydrophobicContact CD2-CE1 4.35Å; Y36-Y80 AromaticContact CE2-CE1 3.94Å; Y36-Y80 HydrophobicContact CE2-CE1 3.94Å; Y36-Y80 HydrophobicContact CE2-CE2 4.43Å; Y36-Y80 AromaticContact CE2-CZ 3.82Å |
| 37 | D | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.9 | 167.8 | -166.1 | -42.3 | 0 | 0 | 0 | 108.6 | E16 V35 S54 F55 Y80 R89 | E16-D37 HydrophobicContact CB-CB 3.94Å; E16-D37 HydrophobicContact CG-CB 4.39Å; E16-D37 PolarHBondContact N-O 3.01Å; E16-D37 PolarHBondContact O-N 3.47Å; V35-D37 WeakPolarHBondContact CG1-O 3.37Å; D37-S54 PolarHBondContact OD1-OG 3.3Å; D37-F55 WeakPolarHBondContact CA-O 3.17Å; D37-Y80 HydrophobicContact CB-CE1 4.05Å; D37-Y80 WeakPolarHBondContact OD2-CE1 3.4Å; D37-Y80 PolarHBondContact OD2-OH 2.86Å; D37-R89 IonicContact OD2-CZ 3.96Å; D37-R89 IonicContact OD2-NH1 2.9Å; D37-R89 PolarHBondContact OD2-NH1 3.31Å |
| 38 | C | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 121.9 | 178 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | T15 V35 S54 F55 I97 | T15-C38 HydrophobicContact CG2-CB 4.42Å; V35-C38 HydrophobicContact CG1-CB 4.02Å; C38-S54 WeakPolarHBondContact O-CA 3.44Å; C38-F55 PolarHBondContact N-O 2.67Å; C38-F55 PolarHBondContact O-N 2.91Å; C38-I97 HydrophobicContact CB-CG2 4.35Å |
| 39 | G | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L13 D14 Q53 | L13-G39 VanDerWaalsContact CA-O 3.24Å; L13-G39 WeakPolarHBondContact CA-O 3.09Å; L13-G39 WeakPolarHBondContact CB-O 3.29Å; D14-G39 PolarHBondContact N-O 2.73Å; D14-G39 PolarHBondContact O-N 2.92Å; D14-G39 VanDerWaalsContact O-N 3.09Å; G39-Q53 CarbonylContact C-O 3.59Å; G39-Q53 WeakPolarHBondContact CA-O 3.26Å |
| 40 | W | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 160.7 | 167.4 | 66.1 | 91.7 | 0 | 0 | 0 | 112.7 | L11 L12 L13 E52 Q53 F55 I97 A100 M101 D104 | L11-W40 HydrophobicContact CD1-CG 4.2Å; L11-W40 HydrophobicContact CD2-CB 3.81Å; L11-W40 HydrophobicContact CD2-CG 4.18Å; L11-W40 HydrophobicContact CG-CB 4.17Å; L11-W40 HydrophobicContact CG-CG 4.23Å; L12-W40 CarbonylContact O-C 3.55Å; L12-W40 WeakPolarHBondContact O-CA 3.35Å; L12-W40 VanDerWaalsContact O-CB 3.24Å; L12-W40 WeakPolarHBondContact O-CB 3.31Å; L13-W40 HydrophobicContact CB-CB 3.79Å; W40-E52 WeakPolarHBondContact O-CA 3.49Å; W40-Q53 HydrophobicContact CD2-CB 4.1Å; W40-Q53 HydrophobicContact CH2-CB 4.17Å; W40-Q53 HydrophobicContact CZ2-CB 3.63Å; W40-Q53 HydrophobicContact CZ2-CG 4.11Å; W40-Q53 PolarHBondContact N-O 3.34Å; W40-Q53 PolarHBondContact O-N 3.06Å; W40-Q53 VanDerWaalsContact O-O 3.12Å; W40-F55 AromaticContact CH2-CD2 3.44Å; W40-F55 HydrophobicContact CH2-CD2 3.44Å; W40-F55 VanDerWaalsContact CH2-CD2 3.44Å; W40-F55 AromaticContact CH2-CE2 3.32Å; W40-F55 HydrophobicContact CH2-CE2 3.32Å; W40-F55 HydrophobicContact CZ2-CD2 4.39Å; W40-F55 AromaticContact CZ2-CE2 3.88Å; W40-F55 HydrophobicContact CZ2-CE2 3.88Å; W40-F55 AromaticContact CZ3-CD2 3.67Å; W40-F55 HydrophobicContact CZ3-CD2 3.67Å; W40-F55 HydrophobicContact CZ3-CE2 4.02Å; W40-I97 HydrophobicContact CH2-CG2 4.21Å; W40-I97 HydrophobicContact CZ3-CG2 3.96Å; W40-A100 HydrophobicContact CH2-CB 4.12Å; W40-A100 HydrophobicContact CZ2-CB 4.03Å; W40-M101 HydrophobicContact CD2-CB 4.49Å; W40-M101 HydrophobicContact CD2-CE 3.89Å; W40-M101 HydrophobicContact CD2-CG 4.29Å; W40-M101 HydrophobicContact CE3-CE 3.41Å; W40-M101 VanDerWaalsContact CE3-CE 3.41Å; W40-M101 HydrophobicContact CG-CE 4.49Å; W40-M101 HydrophobicContact CH2-CB 3.87Å; W40-M101 HydrophobicContact CH2-CE 4.39Å; W40-M101 VanDerWaalsContact CZ2-CA 3.49Å; W40-M101 HydrophobicContact CZ2-CB 3.73Å; W40-M101 HydrophobicContact CZ2-CG 4.37Å; W40-M101 HydrophobicContact CZ3-CB 4.34Å; W40-M101 HydrophobicContact CZ3-CE 3.7Å; W40-D104 PolarHBondContact NE1-OD2 2.91Å |
| 41 | C | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.7 | 166 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | L11 L12 I49 K51 E52 V207 | L11-C41 WeakPolarHBondContact CA-O 3.38Å; L12-C41 PolarHBondContact N-O 2.88Å; L12-C41 PolarHBondContact O-N 2.77Å; C41-I49 HydrophobicContact CB-CG2 4.26Å; C41-K51 CarbonylContact C-O 3.57Å; C41-K51 WeakPolarHBondContact CA-O 3.47Å; C41-K51 WeakPolarHBondContact CB-O 3.47Å; C41-E52 HydrophobicContact CB-CG 4.05Å; C41-V207 HydrophobicContact CB-CG1 3.74Å; C41-V207 VanDerWaalsContact SG-CG1 3.51Å |
| 42 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.4 | 162.7 | 173.6 | 0 | 0 | 0 | 0 | 107.5 | Y9 Y50 K51 D104 Y108 I110 | Y9-V42 HydrophobicContact CD1-CG1 4.39Å; V42-Y50 PolarHBondContact O-N 3.23Å; V42-K51 HydrophobicContact CB-CB 3.94Å; V42-K51 HydrophobicContact CG2-CB 4.05Å; V42-K51 PolarHBondContact N-O 3.02Å; V42-D104 HydrophobicContact CG2-CB 3.99Å; V42-Y108 HydrophobicContact CB-CD2 4.44Å; V42-Y108 HydrophobicContact CB-CE2 4.48Å; V42-Y108 HydrophobicContact CG1-CD1 3.7Å; V42-Y108 HydrophobicContact CG1-CD2 3.78Å; V42-Y108 HydrophobicContact CG1-CE1 3.97Å; V42-Y108 HydrophobicContact CG1-CE2 4.07Å; V42-Y108 HydrophobicContact CG1-CG 3.59Å; V42-Y108 HydrophobicContact CG2-CD2 4.12Å; V42-Y108 HydrophobicContact CG2-CE2 4.33Å; V42-I110 HydrophobicContact CB-CD1 4.5Å; V42-I110 HydrophobicContact CG1-CD1 3.89Å; V42-I110 HydrophobicContact CG2-CD1 4.06Å |
| 43 | M | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.5 | 179.9 | 58.6 | 172.3 | -83.5 | 0 | 0 | 112.5 | Y9 V10 L12 N48 R211 M214 I215 | Y9-M43 CarbonylContact C-O 3.54Å; Y9-M43 VanDerWaalsContact CA-O 3.32Å; Y9-M43 WeakPolarHBondContact CA-O 3.06Å; V10-M43 HydrophobicContact CG2-CE 4.42Å; V10-M43 HydrophobicContact CG2-CG 3.7Å; V10-M43 HydrophobicContact CG2-SD 4.42Å; V10-M43 PolarHBondContact N-O 3.45Å; V10-M43 PolarHBondContact O-N 3.01Å; L12-M43 HydrophobicContact CB-SD 4.13Å; L12-M43 HydrophobicContact CD1-SD 4.08Å; M43-N48 CarbonylContact C-O 3.57Å; M43-N48 WeakPolarHBondContact CA-O 3.39Å; M43-N48 WeakPolarHBondContact CB-O 3.47Å; M43-R211 HydrophobicContact CE-CG 4.22Å; M43-R211 HydrophobicContact SD-CB 4.17Å; M43-R211 HydrophobicContact SD-CG 3.81Å; M43-M214 HydrophobicContact CE-CE 4.41Å; M43-M214 HydrophobicContact CE-SD 3.85Å; M43-I215 HydrophobicContact CE-CD1 3.71Å; M43-I215 HydrophobicContact CE-CG1 4.2Å |
| 44 | D | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 163.9 | 164.8 | 67.9 | 27 | 0 | 0 | 0 | 111.5 | R7 H8 Y9 R46 G47 N48 Y50 | R7-D44 HydrophobicContact CB-CB 4.41Å; R7-D44 IonicContact CZ-OD2 3.62Å; R7-D44 IonicContact NH1-OD2 3.8Å; R7-D44 PolarHBondContact NH1-OD2 2.96Å; H8-D44 VanDerWaalsContact O-CA 3.31Å; H8-D44 WeakPolarHBondContact O-CA 3.44Å; Y9-D44 HydrophobicContact CD1-CB 4.38Å; D44-R46 PolarHBondContact O-N 3.35Å; D44-R46 WeakPolarHBondContact OD1-CA 3.11Å; D44-R46 VanDerWaalsContact OD1-CB 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.45Å; D44-R46 PolarHBondContact OD1-N 3.35Å; D44-G47 PolarHBondContact O-N 3.36Å; D44-G47 PolarHBondContact OD1-N 2.97Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 PolarHBondContact OD1-N 2.66Å; D44-N48 PolarHBondContact OD1-ND2 3.02Å; D44-N48 VanDerWaalsContact OD1-ND2 3.15Å; D44-N48 PolarHBondContact OD2-ND2 3.15Å; D44-Y50 HydrophobicContact CB-CE2 3.84Å; D44-Y50 PolarHBondContact OD2-OH 3Å |
| 45 | T | 94 | Very high | 96.2 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 23% | 0.227 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -1.1 | 177.9 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | H8 V10 Y218 | H8-T45 HydrophobicContact CB-CG2 4.19Å; H8-T45 PolarHBondContact O-N 2.93Å; H8-T45 VanDerWaalsContact O-N 3.11Å; V10-T45 HydrophobicContact CG1-CG2 4.38Å; T45-Y218 HydrophobicContact CG2-CE1 4.15Å |
| 46 | R | 94.4 | Very high | 96.3 | Very high | 196 Ų | 196 | 31.6 Ų | 31.6 | 74% | 0.74 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -9.6 | 169.8 | -58.7 | -177.9 | 177.6 | -171.2 | -0.3 | 112.5 | D44 | D44-R46 PolarHBondContact O-N 3.35Å; D44-R46 WeakPolarHBondContact OD1-CA 3.11Å; D44-R46 VanDerWaalsContact OD1-CB 3.31Å; D44-R46 WeakPolarHBondContact OD1-CB 3.45Å; D44-R46 PolarHBondContact OD1-N 3.35Å |
| 47 | G | 94.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | trans | 98.1 | 8.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D44 I49 R211 | D44-G47 PolarHBondContact O-N 3.36Å; D44-G47 PolarHBondContact OD1-N 2.97Å; G47-I49 PolarHBondContact O-N 2.94Å; G47-R211 PolarHBondContact O-NE 3.32Å; G47-R211 PolarHBondContact O-NH2 2.85Å | ||
| 48 | N | 96.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 39 Ų | 39 | 40% | 0.401 | 17% | 0.173 | S | C | . | . | trans | -75.8 | 129.8 | 175.5 | -53.8 | -65.1 | 0 | 0 | 0 | 108.9 | R7 M43 D44 Y50 | R7-N48 PolarHBondContact NH1-ND2 3.01Å; M43-N48 CarbonylContact C-O 3.57Å; M43-N48 WeakPolarHBondContact CA-O 3.39Å; M43-N48 WeakPolarHBondContact CB-O 3.47Å; D44-N48 PolarHBondContact N-O 2.83Å; D44-N48 PolarHBondContact OD1-N 2.66Å; D44-N48 PolarHBondContact OD1-ND2 3.02Å; D44-N48 VanDerWaalsContact OD1-ND2 3.15Å; D44-N48 PolarHBondContact OD2-ND2 3.15Å; N48-Y50 HydrophobicContact CB-CE2 3.86Å; N48-Y50 VanDerWaalsContact O-CD2 3.28Å; N48-Y50 WeakPolarHBondContact O-CD2 3.49Å; N48-Y50 WeakPolarHBondContact O-CE2 3.32Å | ||
| 49 | I | 96.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 33% | 0.328 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 135.6 | 175.9 | -62.5 | 176.3 | 0 | 0 | 0 | 108.7 | C41 G47 E52 | C41-I49 HydrophobicContact CB-CG2 4.26Å; G47-I49 PolarHBondContact O-N 2.94Å; I49-E52 HydrophobicContact CG2-CG 3.57Å |
| 50 | Y | 97.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 41.6 Ų | 41.6 | 29% | 0.286 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -23.8 | 179.8 | -62.6 | -93.5 | 0 | 0 | 0 | 112.7 | R7 Y9 V42 D44 N48 Y108 | R7-Y50 WeakPolarHBondContact CD-OH 3.17Å; R7-Y50 VanDerWaalsContact CZ-OH 3.28Å; R7-Y50 PolarHBondContact NE-OH 3.46Å; R7-Y50 PolarHBondContact NH1-OH 2.89Å; Y9-Y50 HydrophobicContact CD1-CD2 4.02Å; Y9-Y50 HydrophobicContact CD1-CE2 4.01Å; Y9-Y50 HydrophobicContact CE1-CD1 4.2Å; Y9-Y50 AromaticContact CE1-CD2 3.71Å; Y9-Y50 HydrophobicContact CE1-CD2 3.71Å; Y9-Y50 AromaticContact CE1-CE1 4Å; Y9-Y50 HydrophobicContact CE1-CE1 4Å; Y9-Y50 AromaticContact CE1-CE2 3.51Å; Y9-Y50 HydrophobicContact CE1-CE2 3.51Å; Y9-Y50 HydrophobicContact CE1-CG 4.06Å; Y9-Y50 AromaticContact CE1-CZ 3.66Å; V42-Y50 PolarHBondContact O-N 3.23Å; D44-Y50 HydrophobicContact CB-CE2 3.84Å; D44-Y50 PolarHBondContact OD2-OH 3Å; N48-Y50 HydrophobicContact CB-CE2 3.86Å; N48-Y50 VanDerWaalsContact O-CD2 3.28Å; N48-Y50 WeakPolarHBondContact O-CD2 3.49Å; N48-Y50 WeakPolarHBondContact O-CE2 3.32Å; Y50-Y108 HydrophobicContact CD1-CE1 4.43Å; Y50-Y108 HydrophobicContact CG-CE1 4.14Å |
| 51 | K | 96.7 | Very high | 96.3 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 143.7 | 178.4 | -156.7 | 166.9 | -175.5 | 178.4 | 0 | 108.9 | C41 V42 D104 E107 Y108 | C41-K51 CarbonylContact C-O 3.57Å; C41-K51 WeakPolarHBondContact CA-O 3.47Å; C41-K51 WeakPolarHBondContact CB-O 3.47Å; V42-K51 HydrophobicContact CB-CB 3.94Å; V42-K51 HydrophobicContact CG2-CB 4.05Å; V42-K51 PolarHBondContact N-O 3.02Å; K51-D104 WeakPolarHBondContact CD-OD1 3.45Å; K51-D104 WeakPolarHBondContact CE-OD1 3.36Å; K51-D104 IonicContact NZ-OD1 3.13Å; K51-D104 PolarHBondContact NZ-OD1 3.37Å; K51-E107 IonicContact NZ-OE2 2.81Å; K51-E107 PolarHBondContact NZ-OE2 3.42Å; K51-Y108 HydrophobicContact CD-CE2 4.38Å |
| 52 | E | 97.1 | Very high | 96.1 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.2 | 171.3 | -68 | -175.4 | 127.8 | 0 | 0 | 107.1 | W40 C41 I49 L204 R208 | W40-E52 WeakPolarHBondContact O-CA 3.49Å; C41-E52 HydrophobicContact CB-CG 4.05Å; I49-E52 HydrophobicContact CG2-CG 3.57Å; E52-L204 HydrophobicContact CB-CD1 3.81Å; E52-L204 HydrophobicContact CB-CD2 4.03Å; E52-L204 HydrophobicContact CG-CD1 4.03Å; E52-L204 HydrophobicContact CG-CD2 4.49Å; E52-R208 IonicContact OE1-CZ 3.63Å; E52-R208 IonicContact OE1-NE 3.68Å; E52-R208 PolarHBondContact OE1-NE 3Å; E52-R208 IonicContact OE1-NH2 2.86Å; E52-R208 PolarHBondContact OE1-NH2 3.02Å; E52-R208 IonicContact OE2-CZ 2.63Å; E52-R208 IonicContact OE2-NE 3.72Å; E52-R208 IonicContact OE2-NH2 3.64Å; E52-R208 PolarHBondContact OE2-NH2 3.04Å |
| 53 | Q | 96.5 | Very high | 95.8 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 16% | 0.159 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 145.3 | 172.1 | -62.4 | -157.3 | 77.7 | 0 | 0 | 109.2 | G39 W40 F55 D104 | G39-Q53 CarbonylContact C-O 3.59Å; G39-Q53 WeakPolarHBondContact CA-O 3.26Å; W40-Q53 HydrophobicContact CD2-CB 4.1Å; W40-Q53 HydrophobicContact CH2-CB 4.17Å; W40-Q53 HydrophobicContact CZ2-CB 3.63Å; W40-Q53 HydrophobicContact CZ2-CG 4.11Å; W40-Q53 PolarHBondContact N-O 3.34Å; W40-Q53 PolarHBondContact O-N 3.06Å; W40-Q53 VanDerWaalsContact O-O 3.12Å; Q53-F55 HydrophobicContact CB-CD2 4.48Å; Q53-F55 HydrophobicContact CB-CE2 3.79Å; Q53-F55 HydrophobicContact CB-CZ 4.46Å; Q53-F55 HydrophobicContact CG-CE2 4.44Å; Q53-F55 VanDerWaalsContact OE1-CZ 3.25Å; Q53-D104 PolarHBondContact NE2-OD1 3.32Å; Q53-D104 VanDerWaalsContact NE2-OD1 3.09Å; Q53-D104 PolarHBondContact NE2-OD2 3.06Å |
| 54 | S | 96.2 | Very high | 95.4 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 133.1 | 173.7 | 166.6 | 0 | 0 | 0 | 0 | 108.6 | D37 C38 | D37-S54 PolarHBondContact OD1-OG 3.3Å; C38-S54 WeakPolarHBondContact O-CA 3.44Å |
| 55 | F | 96.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.1 | -175.7 | -63.6 | -79.8 | 0 | 0 | 0 | 111.2 | D37 C38 W40 Q53 Q90 A92 I97 A100 | D37-F55 WeakPolarHBondContact CA-O 3.17Å; C38-F55 PolarHBondContact N-O 2.67Å; C38-F55 PolarHBondContact O-N 2.91Å; W40-F55 AromaticContact CH2-CD2 3.44Å; W40-F55 HydrophobicContact CH2-CD2 3.44Å; W40-F55 VanDerWaalsContact CH2-CD2 3.44Å; W40-F55 AromaticContact CH2-CE2 3.32Å; W40-F55 HydrophobicContact CH2-CE2 3.32Å; W40-F55 HydrophobicContact CZ2-CD2 4.39Å; W40-F55 AromaticContact CZ2-CE2 3.88Å; W40-F55 HydrophobicContact CZ2-CE2 3.88Å; W40-F55 AromaticContact CZ3-CD2 3.67Å; W40-F55 HydrophobicContact CZ3-CD2 3.67Å; W40-F55 HydrophobicContact CZ3-CE2 4.02Å; Q53-F55 HydrophobicContact CB-CD2 4.48Å; Q53-F55 HydrophobicContact CB-CE2 3.79Å; Q53-F55 HydrophobicContact CB-CZ 4.46Å; Q53-F55 HydrophobicContact CG-CE2 4.44Å; Q53-F55 VanDerWaalsContact OE1-CZ 3.25Å; F55-Q90 CarbonylContact C-O 3.54Å; F55-Q90 WeakPolarHBondContact CA-O 3.35Å; F55-Q90 HydrophobicContact CD1-CB 3.77Å; F55-Q90 HydrophobicContact CE1-CB 3.97Å; F55-Q90 VanDerWaalsContact CE1-OE1 3.3Å; F55-A92 HydrophobicContact CB-CB 4.5Å; F55-A92 HydrophobicContact CD1-CB 3.72Å; F55-A92 HydrophobicContact CE1-CB 4.27Å; F55-A92 HydrophobicContact CG-CB 4.3Å; F55-I97 HydrophobicContact CB-CD1 3.77Å; F55-I97 HydrophobicContact CB-CG1 3.69Å; F55-I97 HydrophobicContact CD2-CG1 4.35Å; F55-I97 HydrophobicContact CD2-CG2 4.45Å; F55-I97 HydrophobicContact CG-CG1 4.01Å; F55-A100 HydrophobicContact CE2-CB 4.03Å; F55-A100 HydrophobicContact CZ-CB 4.17Å |
| 56 | V | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.8 | 159.4 | 179.1 | 0 | 0 | 0 | 0 | 108.1 | Y36 R58 F61 Y80 I84 R89 Q90 V91 A92 | Y36-V56 CarbonylContact O-C 3.52Å; Y36-V56 WeakPolarHBondContact O-CA 3.45Å; V56-R58 PolarHBondContact O-N 3.26Å; V56-F61 HydrophobicContact CG1-CB 3.62Å; V56-F61 HydrophobicContact CG1-CD1 3.98Å; V56-F61 HydrophobicContact CG1-CD2 3.91Å; V56-F61 HydrophobicContact CG1-CG 3.55Å; V56-Y80 HydrophobicContact CG2-CD1 3.8Å; V56-Y80 HydrophobicContact CG2-CE1 3.94Å; V56-I84 HydrophobicContact CB-CD1 4.38Å; V56-I84 HydrophobicContact CG1-CD1 4.11Å; V56-I84 HydrophobicContact CG2-CD1 4.25Å; V56-I84 HydrophobicContact CG2-CG1 4.43Å; V56-R89 HydrophobicContact CG2-CB 4Å; V56-R89 HydrophobicContact CG2-CG 4.33Å; V56-Q90 PolarHBondContact N-O 2.9Å; V56-V91 HydrophobicContact CB-CG2 4.29Å; V56-V91 WeakPolarHBondContact O-CA 3.4Å; V56-A92 PolarHBondContact O-N 2.83Å; V56-A92 VanDerWaalsContact O-N 3.09Å |
| 57 | N | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 107.9 | 178.5 | -173.1 | -10.7 | 0 | 0 | 0 | 111 | V35 Y36 D59 I60 F61 A92 T94 I97 L128 | V35-N57 PolarHBondContact O-ND2 3.13Å; Y36-N57 PolarHBondContact O-N 2.84Å; N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.16Å; N57-D59 PolarHBondContact OD1-N 3.5Å; N57-I60 PolarHBondContact O-N 3.23Å; N57-F61 VanDerWaalsContact O-CB 3.26Å; N57-F61 WeakPolarHBondContact O-CB 3.43Å; N57-F61 PolarHBondContact O-N 2.63Å; N57-A92 WeakPolarHBondContact CA-O 3.39Å; N57-T94 PolarHBondContact ND2-OG1 3.32Å; N57-T94 PolarHBondContact OD1-N 2.96Å; N57-T94 PolarHBondContact OD1-OG1 3.08Å; N57-I97 HydrophobicContact CB-CD1 3.65Å; N57-L128 WeakPolarHBondContact ND2-CD1 3.46Å; N57-L128 WeakPolarHBondContact ND2-CD2 3.37Å |
| 58 | R | 96.7 | Very high | 93.4 | Very high | 159 Ų | 159 | 51.8 Ų | 51.8 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -56.3 | -39.2 | 179.9 | -178.6 | 177.2 | 174.6 | 169.5 | -0.7 | 113.1 | V56 I60 F62 G63 V91 A92 | V56-R58 PolarHBondContact O-N 3.26Å; R58-I60 PolarHBondContact O-N 2.89Å; R58-F62 HydrophobicContact CB-CD2 4.48Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 PolarHBondContact O-N 3.21Å; R58-F62 VanDerWaalsContact O-N 3.14Å; R58-G63 PolarHBondContact O-N 2.83Å; R58-G63 VanDerWaalsContact O-N 3.1Å; R58-V91 HydrophobicContact CB-CG1 3.78Å; R58-V91 HydrophobicContact CG-CG1 4.35Å; R58-A92 PolarHBondContact N-O 3.42Å |
| 59 | D | 96.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | -173.5 | -58.3 | -31.8 | 0 | 0 | 0 | 111.1 | N57 G63 T94 T132 | N57-D59 VanDerWaalsContact C-N 3.26Å; N57-D59 PolarHBondContact O-N 3.16Å; N57-D59 PolarHBondContact OD1-N 3.5Å; D59-G63 CarbonylContact O-C 3.56Å; D59-G63 WeakPolarHBondContact O-CA 3.38Å; D59-G63 PolarHBondContact O-N 3.43Å; D59-T94 WeakPolarHBondContact OD2-CB 3.39Å; D59-T94 PolarHBondContact OD2-N 3Å; D59-T94 PolarHBondContact OD2-OG1 3.3Å; D59-T132 HydrophobicContact CB-CG2 4.28Å |
| 60 | I | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -97.7 | -51.8 | -178.9 | -52.2 | -50.8 | 0 | 0 | 0 | 110.7 | L34 V35 N57 R58 F62 E64 M68 L128 | L34-I60 HydrophobicContact CB-CD1 4.02Å; L34-I60 HydrophobicContact CB-CG1 4.18Å; L34-I60 HydrophobicContact CB-CG2 3.95Å; L34-I60 HydrophobicContact CD1-CD1 4.01Å; L34-I60 HydrophobicContact CG-CD1 4.45Å; V35-I60 WeakPolarHBondContact O-CG1 3.49Å; N57-I60 PolarHBondContact O-N 3.23Å; R58-I60 PolarHBondContact O-N 2.89Å; I60-F62 PolarHBondContact O-N 3.36Å; I60-E64 HydrophobicContact CD1-CG 4.13Å; I60-E64 CarbonylContact O-C 3.49Å; I60-E64 WeakPolarHBondContact O-CA 3.1Å; I60-E64 WeakPolarHBondContact O-CB 3.24Å; I60-E64 PolarHBondContact O-N 3.45Å; I60-M68 HydrophobicContact CG2-SD 4.36Å; I60-L128 HydrophobicContact CD1-CD1 3.81Å; I60-L128 HydrophobicContact CG1-CD1 3.59Å |
| 61 | F | 94 | Very high | 90.4 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | -174.3 | -170.4 | -90.7 | 0 | 0 | 0 | 112.6 | Y36 V56 N57 M68 I77 Y80 L81 I84 | Y36-F61 AromaticContact CD2-CD2 3.87Å; Y36-F61 HydrophobicContact CD2-CD2 3.87Å; Y36-F61 HydrophobicContact CD2-CE2 4.48Å; V56-F61 HydrophobicContact CG1-CB 3.62Å; V56-F61 HydrophobicContact CG1-CD1 3.98Å; V56-F61 HydrophobicContact CG1-CD2 3.91Å; V56-F61 HydrophobicContact CG1-CG 3.55Å; N57-F61 VanDerWaalsContact O-CB 3.26Å; N57-F61 WeakPolarHBondContact O-CB 3.43Å; N57-F61 PolarHBondContact O-N 2.63Å; F61-M68 HydrophobicContact CD2-CE 3.58Å; F61-M68 HydrophobicContact CD2-SD 4.33Å; F61-M68 HydrophobicContact CE2-CE 3.86Å; F61-I77 HydrophobicContact CZ-CG2 4.18Å; F61-Y80 HydrophobicContact CD2-CD1 4.41Å; F61-Y80 AromaticContact CE2-CD1 3.82Å; F61-Y80 HydrophobicContact CE2-CD1 3.82Å; F61-Y80 AromaticContact CE2-CG 3.88Å; F61-Y80 HydrophobicContact CE2-CG 3.88Å; F61-Y80 VanDerWaalsContact CZ-CB 3.46Å; F61-Y80 HydrophobicContact CZ-CD1 4.31Å; F61-Y80 HydrophobicContact CZ-CG 4.16Å; F61-L81 HydrophobicContact CE1-CD2 3.88Å; F61-L81 HydrophobicContact CE1-CG 4.37Å; F61-L81 HydrophobicContact CZ-CD2 4.45Å; F61-L81 HydrophobicContact CZ-CG 4.46Å; F61-I84 HydrophobicContact CD1-CD1 4.41Å; F61-I84 HydrophobicContact CE1-CD1 4.06Å |
| 62 | F | 93.3 | Very high | 88.9 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -37.1 | 177.7 | -63.9 | -70.2 | 0 | 0 | 0 | 112.7 | R58 I60 L81 I84 V91 | R58-F62 HydrophobicContact CB-CD2 4.48Å; R58-F62 HydrophobicContact CG-CD2 4.09Å; R58-F62 PolarHBondContact O-N 3.21Å; R58-F62 VanDerWaalsContact O-N 3.14Å; I60-F62 PolarHBondContact O-N 3.36Å; F62-L81 HydrophobicContact CE1-CD2 3.83Å; F62-L81 HydrophobicContact CZ-CD2 4.32Å; F62-I84 HydrophobicContact CE2-CD1 4.19Å; F62-I84 HydrophobicContact CZ-CD1 3.86Å; F62-V91 HydrophobicContact CD2-CG1 4.42Å; F62-V91 HydrophobicContact CE2-CG1 3.99Å; F62-V91 HydrophobicContact CE2-CG2 4.32Å |
| 63 | G | 92 | Very high | 87.5 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | R58 D59 | R58-G63 PolarHBondContact O-N 2.83Å; R58-G63 VanDerWaalsContact O-N 3.1Å; D59-G63 CarbonylContact O-C 3.56Å; D59-G63 WeakPolarHBondContact O-CA 3.38Å; D59-G63 PolarHBondContact O-N 3.43Å |
| 64 | E | 90.9 | Very high | 86.6 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 27% | 0.266 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 46.7 | -178.2 | -55 | -66.4 | 174.8 | 0 | 0 | 111.3 | I60 E66 L67 M68 W131 | I60-E64 HydrophobicContact CD1-CG 4.13Å; I60-E64 CarbonylContact O-C 3.49Å; I60-E64 WeakPolarHBondContact O-CA 3.1Å; I60-E64 WeakPolarHBondContact O-CB 3.24Å; I60-E64 PolarHBondContact O-N 3.45Å; E64-E66 PolarHBondContact O-N 3.21Å; E64-L67 HydrophobicContact CB-CB 4.06Å; E64-L67 HydrophobicContact CB-CD1 3.85Å; E64-L67 HydrophobicContact CB-CG 4.03Å; E64-L67 HydrophobicContact CG-CD1 4.12Å; E64-L67 WeakPolarHBondContact O-CA 3.27Å; E64-L67 WeakPolarHBondContact O-CB 3.38Å; E64-L67 PolarHBondContact O-N 2.7Å; E64-M68 PolarHBondContact O-N 3.09Å; E64-M68 VanDerWaalsContact O-N 3.12Å; E64-W131 PolarHBondContact OE1-NE1 3.1Å |
| 65 | S | 83.5 | Confident | 85.9 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.7 | -29.4 | -173.7 | 62 | 0 | 0 | 0 | 0 | 114.5 | M68 | S65-M68 WeakPolarHBondContact O-CB 3.5Å; S65-M68 PolarHBondContact O-N 2.91Å |
| 66 | E | 85.8 | Confident | 85.4 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 58% | 0.575 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.5 | -38.9 | 174.4 | -68.8 | -59.7 | 122.4 | 0 | 0 | 112 | E64 M68 K69 | E64-E66 PolarHBondContact O-N 3.21Å; E66-M68 PolarHBondContact O-N 2.83Å; E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.9Å; E66-K69 WeakPolarHBondContact OE1-CE 3.28Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.49Å; E66-K69 WeakPolarHBondContact OE2-CE 3.49Å; E66-K69 IonicContact OE2-NZ 3.37Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å |
| 67 | L | 85.2 | Confident | 85 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -30.4 | 174.7 | -59.1 | -174.7 | 0 | 0 | 0 | 111.3 | N19 L34 E64 K69 S70 | N19-L67 HydrophobicContact CB-CD1 4.31Å; L34-L67 HydrophobicContact CD1-CD1 3.82Å; E64-L67 HydrophobicContact CB-CB 4.06Å; E64-L67 HydrophobicContact CB-CD1 3.85Å; E64-L67 HydrophobicContact CB-CG 4.03Å; E64-L67 HydrophobicContact CG-CD1 4.12Å; E64-L67 WeakPolarHBondContact O-CA 3.27Å; E64-L67 WeakPolarHBondContact O-CB 3.38Å; E64-L67 PolarHBondContact O-N 2.7Å; L67-K69 PolarHBondContact O-N 3.21Å; L67-S70 WeakPolarHBondContact O-CB 3.36Å; L67-S70 PolarHBondContact O-N 2.82Å; L67-S70 PolarHBondContact O-OG 3.35Å |
| 68 | M | 83.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -23.2 | 174.9 | -68.9 | -59.6 | -57.6 | 0 | 0 | 113 | A18 Y36 I60 F61 E64 S65 E66 S70 A71 I77 | A18-M68 HydrophobicContact CB-SD 3.79Å; Y36-M68 HydrophobicContact CD1-CE 3.95Å; Y36-M68 HydrophobicContact CD1-SD 4.04Å; Y36-M68 HydrophobicContact CD2-CE 3.79Å; Y36-M68 HydrophobicContact CD2-SD 4.48Å; Y36-M68 HydrophobicContact CE1-CE 4.28Å; Y36-M68 HydrophobicContact CE2-CE 4.12Å; Y36-M68 HydrophobicContact CG-CE 3.7Å; Y36-M68 HydrophobicContact CG-SD 3.84Å; I60-M68 HydrophobicContact CG2-SD 4.36Å; F61-M68 HydrophobicContact CD2-CE 3.58Å; F61-M68 HydrophobicContact CD2-SD 4.33Å; F61-M68 HydrophobicContact CE2-CE 3.86Å; E64-M68 PolarHBondContact O-N 3.09Å; E64-M68 VanDerWaalsContact O-N 3.12Å; S65-M68 WeakPolarHBondContact O-CB 3.5Å; S65-M68 PolarHBondContact O-N 2.91Å; E66-M68 PolarHBondContact O-N 2.83Å; M68-S70 PolarHBondContact O-N 2.81Å; M68-A71 HydrophobicContact CE-CB 4.19Å; M68-A71 WeakPolarHBondContact O-CB 3.48Å; M68-A71 PolarHBondContact O-N 2.95Å; M68-I77 HydrophobicContact CB-CD1 3.96Å; M68-I77 HydrophobicContact CE-CD1 4.39Å; M68-I77 HydrophobicContact CE-CG1 4.27Å |
| 69 | K | 79.8 | Confident | 84.4 | Confident | 135 Ų | 135 | 64.6 Ų | 64.6 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.4 | 172.3 | -60.8 | 177.8 | -177.2 | 167.7 | 0 | 112.9 | E66 L67 | E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.9Å; E66-K69 WeakPolarHBondContact OE1-CE 3.28Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.49Å; E66-K69 WeakPolarHBondContact OE2-CE 3.49Å; E66-K69 IonicContact OE2-NZ 3.37Å; E66-K69 PolarHBondContact OE2-NZ 3.02Å; L67-K69 PolarHBondContact O-N 3.21Å |
| 70 | S | 74.8 | Confident | 84.1 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0 | 174.7 | 73.5 | 0 | 0 | 0 | 0 | 113.6 | N19 L67 M68 Y72 | N19-S70 VanDerWaalsContact CA-OG 3.24Å; N19-S70 WeakPolarHBondContact CA-OG 3.27Å; N19-S70 PolarHBondContact N-OG 2.88Å; N19-S70 VanDerWaalsContact N-OG 3.08Å; L67-S70 WeakPolarHBondContact O-CB 3.36Å; L67-S70 PolarHBondContact O-N 2.82Å; L67-S70 PolarHBondContact O-OG 3.35Å; M68-S70 PolarHBondContact O-N 2.81Å; S70-Y72 PolarHBondContact O-N 3.46Å |
| 71 | A | 72.1 | Confident | 83.9 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -60.3 | 138.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A18 Y36 M68 Y73 A74 | A18-A71 HydrophobicContact CB-CB 4.04Å; Y36-A71 HydrophobicContact CE1-CB 4.26Å; M68-A71 HydrophobicContact CE-CB 4.19Å; M68-A71 WeakPolarHBondContact O-CB 3.48Å; M68-A71 PolarHBondContact O-N 2.95Å; A71-Y73 PolarHBondContact O-N 2.78Å; A71-A74 PolarHBondContact O-N 3.02Å |
| 72 | Y | 66.4 | Low | 83.9 | Confident | 164 Ų | 164 | 68.6 Ų | 68.6 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.9 | 176.1 | -174.1 | -104.5 | 0 | 0 | 0 | 111.5 | S70 | S70-Y72 PolarHBondContact O-N 3.46Š|
| 73 | Y | 67 | Low | 83.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 39.1 | 174.7 | -56.2 | -58.8 | 0 | 0 | 0 | 114.5 | E16 A71 E75 K76 H201 | E16-Y73 WeakPolarHBondContact OE1-CE2 3.41Å; E16-Y73 VanDerWaalsContact OE2-CD2 3.31Å; E16-Y73 WeakPolarHBondContact OE2-CD2 3.33Å; E16-Y73 WeakPolarHBondContact OE2-CE2 3.12Å; A71-Y73 PolarHBondContact O-N 2.78Å; Y73-E75 PolarHBondContact O-N 3.35Å; Y73-E75 VanDerWaalsContact O-N 3.08Å; Y73-K76 HydrophobicContact CD1-CD 4.08Å; Y73-K76 HydrophobicContact CG-CD 4Å; Y73-K76 WeakPolarHBondContact O-CB 3.2Å; Y73-K76 PolarHBondContact O-N 3.36Å; Y73-H201 HydrophobicContact CD2-CB 4.38Å; Y73-H201 HydrophobicContact CE1-CB 4.39Å; Y73-H201 AromaticContact CE1-CD2 3.58Å; Y73-H201 HydrophobicContact CE2-CB 3.78Å; Y73-H201 AromaticContact CE2-CG 3.81Å; Y73-H201 AromaticContact CZ-CD2 3.27Å; Y73-H201 AromaticContact CZ-CE1 3.97Å; Y73-H201 AromaticContact CZ-CG 3.41Å; Y73-H201 VanDerWaalsContact CZ-CG 3.41Å; Y73-H201 AromaticContact CZ-ND1 3.88Å; Y73-H201 AromaticContact CZ-NE2 3.63Å; Y73-H201 PolarHBondContact OH-CD2 3.4Å; Y73-H201 PolarHBondContact OH-CE1 2.87Å; Y73-H201 VanDerWaalsContact OH-CG 3.25Å; Y73-H201 PolarHBondContact OH-ND1 3.1Å; Y73-H201 PolarHBondContact OH-NE2 2.96Å |
| 74 | A | 76.6 | Confident | 84 | Confident | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -53.9 | -31.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A71 K76 I77 | A71-A74 PolarHBondContact O-N 3.02Å; A74-K76 PolarHBondContact O-N 2.76Å; A74-I77 HydrophobicContact CB-CD1 4.29Å; A74-I77 WeakPolarHBondContact O-CB 3.43Å; A74-I77 WeakPolarHBondContact O-CD1 3.26Å; A74-I77 VanDerWaalsContact O-CG1 3.23Å; A74-I77 WeakPolarHBondContact O-CG1 3.4Å; A74-I77 PolarHBondContact O-N 3.43Å |
| 75 | E | 82.9 | Confident | 84.2 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 76% | 0.762 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -63.2 | -21.7 | 174 | 64 | -170.4 | -155.9 | 0 | 0 | 114.6 | Y73 P78 | Y73-E75 PolarHBondContact O-N 3.35Å; Y73-E75 VanDerWaalsContact O-N 3.08Å; E75-P78 WeakPolarHBondContact O-CD 3.42Å |
| 76 | K | 84 | Confident | 84.7 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -86.6 | -9.6 | 179.4 | -60.5 | -172.2 | -174.9 | 172.8 | 0 | 113.1 | Y73 A74 P78 Q79 Y80 E200 | Y73-K76 HydrophobicContact CD1-CD 4.08Å; Y73-K76 HydrophobicContact CG-CD 4Å; Y73-K76 WeakPolarHBondContact O-CB 3.2Å; Y73-K76 PolarHBondContact O-N 3.36Å; A74-K76 PolarHBondContact O-N 2.76Å; K76-P78 VanDerWaalsContact C-CD 3.44Å; K76-P78 VanDerWaalsContact C-N 3.31Å; K76-Q79 WeakPolarHBondContact O-CB 3.26Å; K76-Q79 PolarHBondContact O-N 2.94Å; K76-Y80 HydrophobicContact CB-CD2 4.18Å; K76-Y80 HydrophobicContact CB-CE2 4.26Å; K76-Y80 WeakPolarHBondContact O-CD2 3.34Å; K76-Y80 PolarHBondContact O-N 3.25Å; K76-E200 PolarHBondContact NZ-O 2.82Å |
| 77 | I | 87.5 | Confident | 85 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -51 | -43.9 | -179.9 | -66.8 | 169.3 | 0 | 0 | 0 | 112.4 | F61 M68 A74 Q79 Y80 L81 | F61-I77 HydrophobicContact CZ-CG2 4.18Å; M68-I77 HydrophobicContact CB-CD1 3.96Å; M68-I77 HydrophobicContact CE-CD1 4.39Å; M68-I77 HydrophobicContact CE-CG1 4.27Å; A74-I77 HydrophobicContact CB-CD1 4.29Å; A74-I77 WeakPolarHBondContact O-CB 3.43Å; A74-I77 WeakPolarHBondContact O-CD1 3.26Å; A74-I77 VanDerWaalsContact O-CG1 3.23Å; A74-I77 WeakPolarHBondContact O-CG1 3.4Å; A74-I77 PolarHBondContact O-N 3.43Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.43Å; I77-Y80 WeakPolarHBondContact O-CB 3.35Å; I77-Y80 PolarHBondContact O-N 3.46Å; I77-L81 HydrophobicContact CG2-CD1 4.13Å; I77-L81 HydrophobicContact CG2-CG 4.45Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.41Å |
| 78 | P | 90.1 | Very high | 85.2 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 58% | 0.578 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.5 | -40.2 | 176.1 | -24.9 | 36 | 0 | 0 | 0 | 113.6 | E75 K76 L81 E82 | E75-P78 WeakPolarHBondContact O-CD 3.42Å; K76-P78 VanDerWaalsContact C-CD 3.44Å; K76-P78 VanDerWaalsContact C-N 3.31Å; P78-L81 PolarHBondContact O-N 3.15Å; P78-E82 PolarHBondContact O-N 2.94Å; P78-E82 VanDerWaalsContact O-N 3.09Å |
| 79 | Q | 90.1 | Very high | 85.6 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 176.7 | -176.3 | 61.8 | 54.1 | 0 | 0 | 111.2 | K76 I77 L81 E82 D83 | K76-Q79 WeakPolarHBondContact O-CB 3.26Å; K76-Q79 PolarHBondContact O-N 2.94Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.43Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 3.3Å; Q79-E82 PolarHBondContact O-N 2.92Å; Q79-D83 PolarHBondContact NE2-OD1 2.86Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 VanDerWaalsContact O-CG 3.29Å; Q79-D83 PolarHBondContact O-N 2.82Å |
| 80 | Y | 90.5 | Very high | 86.3 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.02 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 174.6 | -90.9 | -105.3 | 0 | 0 | 0 | 111.7 | Y36 D37 V56 F61 K76 I77 E82 D83 I84 | Y36-Y80 HydrophobicContact CD2-CE1 4.35Å; Y36-Y80 AromaticContact CE2-CE1 3.94Å; Y36-Y80 HydrophobicContact CE2-CE1 3.94Å; Y36-Y80 HydrophobicContact CE2-CE2 4.43Å; Y36-Y80 AromaticContact CE2-CZ 3.82Å; D37-Y80 HydrophobicContact CB-CE1 4.05Å; D37-Y80 WeakPolarHBondContact OD2-CE1 3.4Å; D37-Y80 PolarHBondContact OD2-OH 2.86Å; V56-Y80 HydrophobicContact CG2-CD1 3.8Å; V56-Y80 HydrophobicContact CG2-CE1 3.94Å; F61-Y80 HydrophobicContact CD2-CD1 4.41Å; F61-Y80 AromaticContact CE2-CD1 3.82Å; F61-Y80 HydrophobicContact CE2-CD1 3.82Å; F61-Y80 AromaticContact CE2-CG 3.88Å; F61-Y80 HydrophobicContact CE2-CG 3.88Å; F61-Y80 VanDerWaalsContact CZ-CB 3.46Å; F61-Y80 HydrophobicContact CZ-CD1 4.31Å; F61-Y80 HydrophobicContact CZ-CG 4.16Å; K76-Y80 HydrophobicContact CB-CD2 4.18Å; K76-Y80 HydrophobicContact CB-CE2 4.26Å; K76-Y80 WeakPolarHBondContact O-CD2 3.34Å; K76-Y80 PolarHBondContact O-N 3.25Å; I77-Y80 WeakPolarHBondContact O-CB 3.35Å; I77-Y80 PolarHBondContact O-N 3.46Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; Y80-E82 PolarHBondContact O-N 2.75Å; Y80-D83 PolarHBondContact O-N 3.46Å; Y80-I84 WeakPolarHBondContact O-CB 3.47Å; Y80-I84 WeakPolarHBondContact O-CD1 3.43Å; Y80-I84 WeakPolarHBondContact O-CG1 3.42Å; Y80-I84 PolarHBondContact O-N 2.86Å |
| 81 | L | 92.5 | Very high | 87.3 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.435 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 178.3 | -69.9 | 170 | 0 | 0 | 0 | 112 | F61 F62 I77 P78 Q79 R85 | F61-L81 HydrophobicContact CE1-CD2 3.88Å; F61-L81 HydrophobicContact CE1-CG 4.37Å; F61-L81 HydrophobicContact CZ-CD2 4.45Å; F61-L81 HydrophobicContact CZ-CG 4.46Å; F62-L81 HydrophobicContact CE1-CD2 3.83Å; F62-L81 HydrophobicContact CZ-CD2 4.32Å; I77-L81 HydrophobicContact CG2-CD1 4.13Å; I77-L81 HydrophobicContact CG2-CG 4.45Å; I77-L81 WeakPolarHBondContact O-CG 3.35Å; I77-L81 PolarHBondContact O-N 3.41Å; P78-L81 PolarHBondContact O-N 3.15Å; Q79-L81 VanDerWaalsContact C-N 3.33Å; Q79-L81 PolarHBondContact O-N 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.41Å; L81-R85 PolarHBondContact O-N 2.75Å |
| 82 | E | 93.8 | Very high | 88.6 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 177.3 | 179.2 | 55.6 | -160.1 | 0 | 0 | 112.2 | P78 Q79 Y80 I84 R85 R86 | P78-E82 PolarHBondContact O-N 2.94Å; P78-E82 VanDerWaalsContact O-N 3.09Å; Q79-E82 PolarHBondContact O-N 2.92Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; Y80-E82 PolarHBondContact O-N 2.75Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 2.8Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 3.47Å; E82-R85 IonicContact OE1-CZ 2.95Å; E82-R85 IonicContact OE1-NE 2.76Å; E82-R85 IonicContact OE1-NH2 2.63Å; E82-R85 PolarHBondContact OE1-NH2 3.04Å; E82-R85 IonicContact OE2-CZ 3.71Å; E82-R85 IonicContact OE2-NE 3.31Å; E82-R85 PolarHBondContact OE2-NE 2.85Å; E82-R85 IonicContact OE2-NH2 3.53Å; E82-R85 PolarHBondContact OE2-NH2 2.84Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 WeakPolarHBondContact O-CG 3.5Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact OE1-CD 3.26Å; E82-R86 WeakPolarHBondContact OE1-CD 3.49Å; E82-R86 WeakPolarHBondContact OE1-CG 3.49Å; E82-R86 IonicContact OE1-NE 2.86Å; E82-R86 PolarHBondContact OE1-NE 3.42Å |
| 83 | D | 92.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.053 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.9 | -72.6 | -12.6 | 0 | 0 | 0 | 111.8 | Q79 Y80 R86 G87 I88 R89 | Q79-D83 PolarHBondContact NE2-OD1 2.86Å; Q79-D83 WeakPolarHBondContact O-CB 3.32Å; Q79-D83 VanDerWaalsContact O-CG 3.29Å; Q79-D83 PolarHBondContact O-N 2.82Å; Y80-D83 PolarHBondContact O-N 3.46Å; D83-R86 PolarHBondContact O-N 3.41Å; D83-G87 PolarHBondContact O-N 3.35Å; D83-G87 VanDerWaalsContact O-N 3.15Å; D83-I88 HydrophobicContact CB-CB 4.21Å; D83-I88 WeakPolarHBondContact O-CB 3.41Å; D83-I88 PolarHBondContact O-N 2.86Å; D83-R89 HydrophobicContact CB-CB 4.33Å; D83-R89 HydrophobicContact CB-CG 3.81Å; D83-R89 PolarHBondContact O-N 2.84Å; D83-R89 IonicContact OD2-CZ 3.2Å; D83-R89 IonicContact OD2-NE 2.69Å; D83-R89 PolarHBondContact OD2-NE 3.44Å; D83-R89 IonicContact OD2-NH2 3.68Å |
| 84 | I | 93.9 | Very high | 91.6 | Very high | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.179 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 174.6 | -70.4 | 165.3 | 0 | 0 | 0 | 109.9 | V56 F61 F62 Y80 E82 R86 G87 R89 V91 | V56-I84 HydrophobicContact CB-CD1 4.38Å; V56-I84 HydrophobicContact CG1-CD1 4.11Å; V56-I84 HydrophobicContact CG2-CD1 4.25Å; V56-I84 HydrophobicContact CG2-CG1 4.43Å; F61-I84 HydrophobicContact CD1-CD1 4.41Å; F61-I84 HydrophobicContact CE1-CD1 4.06Å; F62-I84 HydrophobicContact CE2-CD1 4.19Å; F62-I84 HydrophobicContact CZ-CD1 3.86Å; Y80-I84 WeakPolarHBondContact O-CB 3.47Å; Y80-I84 WeakPolarHBondContact O-CD1 3.43Å; Y80-I84 WeakPolarHBondContact O-CG1 3.42Å; Y80-I84 PolarHBondContact O-N 2.86Å; E82-I84 VanDerWaalsContact C-N 3.33Å; E82-I84 PolarHBondContact O-N 2.8Å; I84-R86 PolarHBondContact O-N 3.05Å; I84-G87 PolarHBondContact O-N 2.99Å; I84-R89 HydrophobicContact CG1-CB 3.92Å; I84-V91 HydrophobicContact CB-CG2 4.36Å; I84-V91 HydrophobicContact CD1-CG2 3.87Å; I84-V91 HydrophobicContact CG1-CG2 3.77Å; I84-V91 HydrophobicContact CG2-CG2 3.68Å |
| 85 | R | 94.7 | Very high | 92.6 | Very high | 175 Ų | 175 | 73.8 Ų | 73.8 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 178.1 | -168.5 | -171 | 70.6 | 78.7 | -0.1 | 112.2 | L81 E82 G87 | L81-R85 WeakPolarHBondContact O-CB 3.41Å; L81-R85 PolarHBondContact O-N 2.75Å; E82-R85 WeakPolarHBondContact O-CB 3.45Å; E82-R85 PolarHBondContact O-N 3.47Å; E82-R85 IonicContact OE1-CZ 2.95Å; E82-R85 IonicContact OE1-NE 2.76Å; E82-R85 IonicContact OE1-NH2 2.63Å; E82-R85 PolarHBondContact OE1-NH2 3.04Å; E82-R85 IonicContact OE2-CZ 3.71Å; E82-R85 IonicContact OE2-NE 3.31Å; E82-R85 PolarHBondContact OE2-NE 2.85Å; E82-R85 IonicContact OE2-NH2 3.53Å; E82-R85 PolarHBondContact OE2-NH2 2.84Å; R85-G87 VanDerWaalsContact C-N 3.28Å |
| 86 | R | 94.6 | Very high | 93.4 | Very high | 165 Ų | 165 | 70.8 Ų | 70.8 | 62% | 0.623 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.4 | 175.8 | -71.5 | 176.9 | 130.7 | -178.9 | -1.4 | 113.9 | E82 D83 I84 I88 | E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 WeakPolarHBondContact O-CG 3.5Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact OE1-CD 3.26Å; E82-R86 WeakPolarHBondContact OE1-CD 3.49Å; E82-R86 WeakPolarHBondContact OE1-CG 3.49Å; E82-R86 IonicContact OE1-NE 2.86Å; E82-R86 PolarHBondContact OE1-NE 3.42Å; D83-R86 PolarHBondContact O-N 3.41Å; I84-R86 PolarHBondContact O-N 3.05Å; R86-I88 HydrophobicContact CB-CD1 3.91Å; R86-I88 HydrophobicContact CB-CG1 3.94Å; R86-I88 PolarHBondContact O-N 3.25Å |
| 87 | G | 91.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 62% | 0.619 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 15.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D83 I84 R85 | D83-G87 PolarHBondContact O-N 3.35Å; D83-G87 VanDerWaalsContact O-N 3.15Å; I84-G87 PolarHBondContact O-N 2.99Å; R85-G87 VanDerWaalsContact C-N 3.28Å |
| 88 | I | 90.2 | Very high | 94.6 | Very high | 108 Ų | 108 | 69 Ų | 69 | 55% | 0.554 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -72.7 | -40.5 | 176.4 | -63.8 | 170.9 | 0 | 0 | 0 | 109.7 | D83 R86 | D83-I88 HydrophobicContact CB-CB 4.21Å; D83-I88 WeakPolarHBondContact O-CB 3.41Å; D83-I88 PolarHBondContact O-N 2.86Å; R86-I88 HydrophobicContact CB-CD1 3.91Å; R86-I88 HydrophobicContact CB-CG1 3.94Å; R86-I88 PolarHBondContact O-N 3.25Å |
| 89 | R | 92.1 | Very high | 95 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -100.8 | 131.7 | 176.9 | -74.3 | 177.8 | -170.2 | -90.3 | 0.9 | 111.1 | D37 V56 D83 I84 | D37-R89 IonicContact OD2-CZ 3.96Å; D37-R89 IonicContact OD2-NH1 2.9Å; D37-R89 PolarHBondContact OD2-NH1 3.31Å; V56-R89 HydrophobicContact CG2-CB 4Å; V56-R89 HydrophobicContact CG2-CG 4.33Å; D83-R89 HydrophobicContact CB-CB 4.33Å; D83-R89 HydrophobicContact CB-CG 3.81Å; D83-R89 PolarHBondContact O-N 2.84Å; D83-R89 IonicContact OD2-CZ 3.2Å; D83-R89 IonicContact OD2-NE 2.69Å; D83-R89 PolarHBondContact OD2-NE 3.44Å; D83-R89 IonicContact OD2-NH2 3.68Å; I84-R89 HydrophobicContact CG1-CB 3.92Å |
| 90 | Q | 94.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.5 | 174.7 | -58.7 | -173.9 | 20.2 | 0 | 0 | 109.7 | F55 V56 | F55-Q90 CarbonylContact C-O 3.54Å; F55-Q90 WeakPolarHBondContact CA-O 3.35Å; F55-Q90 HydrophobicContact CD1-CB 3.77Å; F55-Q90 HydrophobicContact CE1-CB 3.97Å; F55-Q90 VanDerWaalsContact CE1-OE1 3.3Å; V56-Q90 PolarHBondContact N-O 2.9Å |
| 91 | V | 96.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.3 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | V56 R58 F62 I84 | V56-V91 HydrophobicContact CB-CG2 4.29Å; V56-V91 WeakPolarHBondContact O-CA 3.4Å; R58-V91 HydrophobicContact CB-CG1 3.78Å; R58-V91 HydrophobicContact CG-CG1 4.35Å; F62-V91 HydrophobicContact CD2-CG1 4.42Å; F62-V91 HydrophobicContact CE2-CG1 3.99Å; F62-V91 HydrophobicContact CE2-CG2 4.32Å; I84-V91 HydrophobicContact CB-CG2 4.36Å; I84-V91 HydrophobicContact CD1-CG2 3.87Å; I84-V91 HydrophobicContact CG1-CG2 3.77Å; I84-V91 HydrophobicContact CG2-CG2 3.68Å |
| 92 | A | 98 | Very high | 96.1 | Very high | 7 Ų | 7 | 62 Ų | 62 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F55 V56 N57 R58 Q96 I97 | F55-A92 HydrophobicContact CB-CB 4.5Å; F55-A92 HydrophobicContact CD1-CB 3.72Å; F55-A92 HydrophobicContact CE1-CB 4.27Å; F55-A92 HydrophobicContact CG-CB 4.3Å; V56-A92 PolarHBondContact O-N 2.83Å; V56-A92 VanDerWaalsContact O-N 3.09Å; N57-A92 WeakPolarHBondContact CA-O 3.39Å; R58-A92 PolarHBondContact N-O 3.42Å; A92-Q96 HydrophobicContact CB-CB 3.95Å; A92-I97 HydrophobicContact CB-CD1 4.41Å; A92-I97 HydrophobicContact CB-CG1 3.73Å |
| 93 | N | 98.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | trans | -78.3 | 165.5 | 170.3 | 67.8 | 41.4 | 0 | 0 | 0 | 111.1 | Y95 Q96 I97 | N93-Y95 PolarHBondContact O-N 2.88Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.39Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; N93-Q96 PolarHBondContact ND2-OE1 3.26Å; N93-Q96 WeakPolarHBondContact O-CB 3.24Å; N93-Q96 PolarHBondContact O-N 3.04Å; N93-Q96 WeakPolarHBondContact OD1-CB 3.33Å; N93-Q96 VanDerWaalsContact OD1-CG 3.3Å; N93-Q96 WeakPolarHBondContact OD1-CG 3.28Å; N93-Q96 PolarHBondContact OD1-N 3.47Å; N93-I97 WeakPolarHBondContact O-CG1 3.24Å; N93-I97 PolarHBondContact O-N 2.96Å | ||
| 94 | T | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.5 | -40.7 | -177.1 | -61.9 | 0 | 0 | 0 | 0 | 112.5 | N57 D59 R98 L128 T132 W140 | N57-T94 PolarHBondContact ND2-OG1 3.32Å; N57-T94 PolarHBondContact OD1-N 2.96Å; N57-T94 PolarHBondContact OD1-OG1 3.08Å; D59-T94 WeakPolarHBondContact OD2-CB 3.39Å; D59-T94 PolarHBondContact OD2-N 3Å; D59-T94 PolarHBondContact OD2-OG1 3.3Å; T94-R98 WeakPolarHBondContact O-CB 3.49Å; T94-R98 PolarHBondContact O-N 2.9Å; T94-L128 HydrophobicContact CG2-CD1 4.4Å; T94-L128 HydrophobicContact CG2-CD2 3.69Å; T94-L128 HydrophobicContact CG2-CG 3.74Å; T94-T132 HydrophobicContact CG2-CG2 4.11Å; T94-T132 WeakPolarHBondContact CG2-OG1 3.39Å; T94-T132 WeakPolarHBondContact OG1-CG2 3.38Å; T94-W140 HydrophobicContact CG2-CH2 4.24Å; T94-W140 HydrophobicContact CG2-CZ3 3.78Å |
| 95 | Y | 98.1 | Very high | 96.8 | Very high | 154 Ų | 154 | 60.1 Ų | 60.1 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 178.4 | 174.9 | -106 | 0 | 0 | 0 | 111.6 | N93 R98 Q99 | N93-Y95 PolarHBondContact O-N 2.88Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.39Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; Y95-R98 PolarHBondContact O-N 2.97Å; Y95-Q99 HydrophobicContact CD1-CG 4.25Å; Y95-Q99 HydrophobicContact CD2-CG 4.25Å; Y95-Q99 HydrophobicContact CE1-CG 3.81Å; Y95-Q99 HydrophobicContact CE2-CG 3.79Å; Y95-Q99 HydrophobicContact CG-CG 4.46Å; Y95-Q99 WeakPolarHBondContact O-CG 3.46Å; Y95-Q99 PolarHBondContact O-N 3.48Å |
| 96 | Q | 98.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 178.1 | -73.5 | 169.2 | -35.9 | 0 | 0 | 111.9 | A92 N93 R98 Q99 A100 | A92-Q96 HydrophobicContact CB-CB 3.95Å; N93-Q96 PolarHBondContact ND2-OE1 3.26Å; N93-Q96 WeakPolarHBondContact O-CB 3.24Å; N93-Q96 PolarHBondContact O-N 3.04Å; N93-Q96 WeakPolarHBondContact OD1-CB 3.33Å; N93-Q96 VanDerWaalsContact OD1-CG 3.3Å; N93-Q96 WeakPolarHBondContact OD1-CG 3.28Å; N93-Q96 PolarHBondContact OD1-N 3.47Å; Q96-R98 VanDerWaalsContact C-N 3.33Å; Q96-R98 PolarHBondContact O-N 3.06Å; Q96-Q99 PolarHBondContact O-N 3.24Å; Q96-A100 WeakPolarHBondContact O-CB 3.42Å; Q96-A100 PolarHBondContact O-N 3.05Å |
| 97 | I | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 176.5 | -64.3 | 173.4 | 0 | 0 | 0 | 109.9 | C38 W40 F55 N57 A92 N93 Q99 A100 M101 W140 | C38-I97 HydrophobicContact CB-CG2 4.35Å; W40-I97 HydrophobicContact CH2-CG2 4.21Å; W40-I97 HydrophobicContact CZ3-CG2 3.96Å; F55-I97 HydrophobicContact CB-CD1 3.77Å; F55-I97 HydrophobicContact CB-CG1 3.69Å; F55-I97 HydrophobicContact CD2-CG1 4.35Å; F55-I97 HydrophobicContact CD2-CG2 4.45Å; F55-I97 HydrophobicContact CG-CG1 4.01Å; N57-I97 HydrophobicContact CB-CD1 3.65Å; A92-I97 HydrophobicContact CB-CD1 4.41Å; A92-I97 HydrophobicContact CB-CG1 3.73Å; N93-I97 WeakPolarHBondContact O-CG1 3.24Å; N93-I97 PolarHBondContact O-N 2.96Å; I97-Q99 PolarHBondContact O-N 2.99Å; I97-A100 PolarHBondContact O-N 3.16Å; I97-M101 PolarHBondContact O-N 2.84Å; I97-W140 HydrophobicContact CG2-CH2 4.25Å; I97-W140 HydrophobicContact CG2-CZ2 4.15Å |
| 98 | R | 98.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.8 | -172 | 170.8 | 175.7 | -84.5 | -2.6 | 112 | T94 Y95 Q96 A100 M101 L102 W140 | T94-R98 WeakPolarHBondContact O-CB 3.49Å; T94-R98 PolarHBondContact O-N 2.9Å; Y95-R98 PolarHBondContact O-N 2.97Å; Q96-R98 VanDerWaalsContact C-N 3.33Å; Q96-R98 PolarHBondContact O-N 3.06Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 3.08Å; R98-M101 PolarHBondContact O-N 3Å; R98-L102 HydrophobicContact CG-CD1 4.07Å; R98-L102 HydrophobicContact CG-CG 4.23Å; R98-L102 WeakPolarHBondContact O-CB 3.3Å; R98-L102 VanDerWaalsContact O-CG 3.27Å; R98-L102 WeakPolarHBondContact O-CG 3.48Å; R98-L102 PolarHBondContact O-N 2.75Å; R98-W140 HydrophobicContact CB-CE3 4.49Å; R98-W140 HydrophobicContact CB-CH2 3.56Å; R98-W140 HydrophobicContact CB-CZ2 3.64Å; R98-W140 HydrophobicContact CB-CZ3 4Å; R98-W140 HydrophobicContact CG-CD2 4.23Å; R98-W140 HydrophobicContact CG-CE3 4.41Å; R98-W140 HydrophobicContact CG-CH2 4.24Å; R98-W140 HydrophobicContact CG-CZ2 4.05Å; R98-W140 HydrophobicContact CG-CZ3 4.4Å; R98-W140 VanDerWaalsContact CZ-O 3.29Å; R98-W140 PolarHBondContact NE-O 3.37Å; R98-W140 PolarHBondContact NH2-O 3.16Å |
| 99 | Q | 98.5 | Very high | 97.7 | Very high | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 178.7 | -73.3 | -56.5 | -77.8 | 0 | 0 | 111.7 | Y95 Q96 I97 L102 A103 | Y95-Q99 HydrophobicContact CD1-CG 4.25Å; Y95-Q99 HydrophobicContact CD2-CG 4.25Å; Y95-Q99 HydrophobicContact CE1-CG 3.81Å; Y95-Q99 HydrophobicContact CE2-CG 3.79Å; Y95-Q99 HydrophobicContact CG-CG 4.46Å; Y95-Q99 WeakPolarHBondContact O-CG 3.46Å; Y95-Q99 PolarHBondContact O-N 3.48Å; Q96-Q99 PolarHBondContact O-N 3.24Å; I97-Q99 PolarHBondContact O-N 2.99Å; Q99-L102 PolarHBondContact O-N 3.15Å; Q99-A103 VanDerWaalsContact O-CB 3.25Å; Q99-A103 WeakPolarHBondContact O-CB 3.46Å; Q99-A103 PolarHBondContact O-N 2.86Å |
| 100 | A | 98.6 | Very high | 98 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 17% | 0.174 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | W40 F55 Q96 I97 R98 A103 D104 | W40-A100 HydrophobicContact CH2-CB 4.12Å; W40-A100 HydrophobicContact CZ2-CB 4.03Å; F55-A100 HydrophobicContact CE2-CB 4.03Å; F55-A100 HydrophobicContact CZ-CB 4.17Å; Q96-A100 WeakPolarHBondContact O-CB 3.42Å; Q96-A100 PolarHBondContact O-N 3.05Å; I97-A100 PolarHBondContact O-N 3.16Å; R98-A100 VanDerWaalsContact C-N 3.33Å; R98-A100 PolarHBondContact O-N 3.08Å; A100-A103 PolarHBondContact O-N 3.16Å; A100-D104 PolarHBondContact O-N 2.89Å |
| 101 | M | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.5 | -170.8 | -175.8 | -74.3 | 0 | 0 | 112.1 | L11 L13 W40 I97 R98 D104 M105 W140 F141 | L11-M101 HydrophobicContact CD1-CG 3.73Å; L11-M101 HydrophobicContact CD2-CG 4.38Å; L11-M101 HydrophobicContact CD2-SD 4.44Å; L13-M101 HydrophobicContact CD2-CE 4.36Å; L13-M101 HydrophobicContact CD2-SD 4.45Å; W40-M101 HydrophobicContact CD2-CB 4.49Å; W40-M101 HydrophobicContact CD2-CE 3.89Å; W40-M101 HydrophobicContact CD2-CG 4.29Å; W40-M101 HydrophobicContact CE3-CE 3.41Å; W40-M101 VanDerWaalsContact CE3-CE 3.41Å; W40-M101 HydrophobicContact CG-CE 4.49Å; W40-M101 HydrophobicContact CH2-CB 3.87Å; W40-M101 HydrophobicContact CH2-CE 4.39Å; W40-M101 VanDerWaalsContact CZ2-CA 3.49Å; W40-M101 HydrophobicContact CZ2-CB 3.73Å; W40-M101 HydrophobicContact CZ2-CG 4.37Å; W40-M101 HydrophobicContact CZ3-CB 4.34Å; W40-M101 HydrophobicContact CZ3-CE 3.7Å; I97-M101 PolarHBondContact O-N 2.84Å; R98-M101 PolarHBondContact O-N 3Å; M101-D104 WeakPolarHBondContact O-CB 3.34Å; M101-D104 PolarHBondContact O-N 2.99Å; M101-M105 WeakPolarHBondContact O-CG 3.48Å; M101-M105 PolarHBondContact O-N 2.91Å; M101-W140 PolarHBondContact SD-NE1 3.11Å; M101-F141 HydrophobicContact SD-CE1 3.51Å; M101-F141 VanDerWaalsContact SD-CE1 3.51Å; M101-F141 HydrophobicContact SD-CZ 3.88Å |
| 102 | L | 98.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70 | -33.4 | 178.4 | -64.6 | -173.4 | 0 | 0 | 0 | 112.8 | R98 Q99 D104 M105 A106 P142 | R98-L102 HydrophobicContact CG-CD1 4.07Å; R98-L102 HydrophobicContact CG-CG 4.23Å; R98-L102 WeakPolarHBondContact O-CB 3.3Å; R98-L102 VanDerWaalsContact O-CG 3.27Å; R98-L102 WeakPolarHBondContact O-CG 3.48Å; R98-L102 PolarHBondContact O-N 2.75Å; Q99-L102 PolarHBondContact O-N 3.15Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-M105 HydrophobicContact CD2-SD 3.94Å; L102-M105 PolarHBondContact O-N 3.11Å; L102-A106 WeakPolarHBondContact O-CB 3.24Å; L102-A106 PolarHBondContact O-N 3.39Å; L102-P142 HydrophobicContact CD2-CG 3.82Å |
| 103 | A | 98.5 | Very high | 98.2 | Very high | 54 Ų | 54 | 43 Ų | 43 | 45% | 0.446 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q99 A100 A106 E107 | Q99-A103 VanDerWaalsContact O-CB 3.25Å; Q99-A103 WeakPolarHBondContact O-CB 3.46Å; Q99-A103 PolarHBondContact O-N 2.86Å; A100-A103 PolarHBondContact O-N 3.16Å; A103-A106 PolarHBondContact O-N 3.49Å; A103-E107 VanDerWaalsContact O-CB 3.23Å; A103-E107 WeakPolarHBondContact O-CB 3.19Å; A103-E107 PolarHBondContact O-N 2.97Å |
| 104 | D | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -45 | 174.3 | -72.4 | 3 | 0 | 0 | 0 | 111.9 | W40 V42 K51 Q53 A100 M101 L102 A106 E107 Y108 | W40-D104 PolarHBondContact NE1-OD2 2.91Å; V42-D104 HydrophobicContact CG2-CB 3.99Å; K51-D104 WeakPolarHBondContact CD-OD1 3.45Å; K51-D104 WeakPolarHBondContact CE-OD1 3.36Å; K51-D104 IonicContact NZ-OD1 3.13Å; K51-D104 PolarHBondContact NZ-OD1 3.37Å; Q53-D104 PolarHBondContact NE2-OD1 3.32Å; Q53-D104 VanDerWaalsContact NE2-OD1 3.09Å; Q53-D104 PolarHBondContact NE2-OD2 3.06Å; A100-D104 PolarHBondContact O-N 2.89Å; M101-D104 WeakPolarHBondContact O-CB 3.34Å; M101-D104 PolarHBondContact O-N 2.99Å; L102-D104 VanDerWaalsContact C-N 3.33Å; D104-A106 VanDerWaalsContact C-N 3.32Å; D104-A106 PolarHBondContact O-N 3.4Å; D104-E107 PolarHBondContact O-N 3.24Å; D104-Y108 WeakPolarHBondContact O-CD2 3.18Å; D104-Y108 PolarHBondContact O-N 3.45Å; D104-Y108 VanDerWaalsContact O-N 3.13Å |
| 105 | M | 98.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.2 | -68.9 | 176.3 | 70.2 | 0 | 0 | 111.5 | L11 M101 L102 G109 I110 V113 F141 T145 | L11-M105 HydrophobicContact CD1-CG 3.76Å; M101-M105 WeakPolarHBondContact O-CG 3.48Å; M101-M105 PolarHBondContact O-N 2.91Å; L102-M105 HydrophobicContact CD2-SD 3.94Å; L102-M105 PolarHBondContact O-N 3.11Å; M105-G109 CarbonylContact O-C 3.54Å; M105-G109 WeakPolarHBondContact O-CA 3.45Å; M105-G109 PolarHBondContact O-N 2.88Å; M105-I110 HydrophobicContact CB-CB 4.29Å; M105-I110 HydrophobicContact CG-CB 4.38Å; M105-I110 HydrophobicContact CG-CG2 4.44Å; M105-I110 PolarHBondContact O-N 2.98Å; M105-V113 HydrophobicContact CE-CG2 3.97Å; M105-V113 HydrophobicContact SD-CG2 4.28Å; M105-F141 HydrophobicContact CE-CD1 4.36Å; M105-F141 HydrophobicContact SD-CD1 3.94Å; M105-F141 HydrophobicContact SD-CE1 4.18Å; M105-T145 HydrophobicContact CE-CG2 3.87Å |
| 106 | A | 97.7 | Very high | 98.2 | Very high | 75 Ų | 75 | 34.4 Ų | 34.4 | 62% | 0.62 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -67 | -44.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L102 A103 D104 Y108 G109 | L102-A106 WeakPolarHBondContact O-CB 3.24Å; L102-A106 PolarHBondContact O-N 3.39Å; A103-A106 PolarHBondContact O-N 3.49Å; D104-A106 VanDerWaalsContact C-N 3.32Å; D104-A106 PolarHBondContact O-N 3.4Å; A106-Y108 VanDerWaalsContact C-N 3.32Å; A106-Y108 PolarHBondContact O-N 3.49Å; A106-G109 PolarHBondContact O-N 3.32Å |
| 107 | E | 97.7 | Very high | 98 | Very high | 84 Ų | 84 | 33.2 Ų | 33.2 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -53.7 | -50.9 | 178.3 | 179 | 175.6 | -171.9 | 0 | 0 | 110 | I3 R5 K51 A103 D104 | I3-E107 HydrophobicContact CD1-CG 3.66Å; I3-E107 WeakPolarHBondContact CD1-O 3.37Å; R5-E107 PolarHBondContact NH1-O 2.85Å; R5-E107 PolarHBondContact NH2-O 2.77Å; K51-E107 IonicContact NZ-OE2 2.81Å; K51-E107 PolarHBondContact NZ-OE2 3.42Å; A103-E107 VanDerWaalsContact O-CB 3.23Å; A103-E107 WeakPolarHBondContact O-CB 3.19Å; A103-E107 PolarHBondContact O-N 2.97Å; D104-E107 PolarHBondContact O-N 3.24Å |
| 108 | Y | 97.5 | Very high | 98 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -90.7 | -1.9 | -176.4 | -69.4 | -94.1 | 0 | 0 | 0 | 114.7 | I3 R5 Y9 V42 Y50 K51 D104 A106 I110 | I3-Y108 HydrophobicContact CD1-CD1 4.2Å; I3-Y108 HydrophobicContact CD1-CE1 4.31Å; I3-Y108 HydrophobicContact CD1-CG 4.36Å; I3-Y108 HydrophobicContact CG1-CD1 4.44Å; I3-Y108 HydrophobicContact CG1-CE1 4.29Å; I3-Y108 HydrophobicContact CG2-CD1 4.04Å; I3-Y108 HydrophobicContact CG2-CE1 4.5Å; R5-Y108 PolarHBondContact NH1-O 3.24Å; R5-Y108 VanDerWaalsContact NH1-O 3.08Å; Y9-Y108 AromaticContact CD1-CD1 3.9Å; Y9-Y108 HydrophobicContact CD1-CD1 3.9Å; Y9-Y108 AromaticContact CE1-CD1 3.94Å; Y9-Y108 HydrophobicContact CE1-CD1 3.94Å; Y9-Y108 HydrophobicContact CE1-CE1 4.36Å; Y9-Y108 HydrophobicContact CG-CD1 4.24Å; V42-Y108 HydrophobicContact CB-CD2 4.44Å; V42-Y108 HydrophobicContact CB-CE2 4.48Å; V42-Y108 HydrophobicContact CG1-CD1 3.7Å; V42-Y108 HydrophobicContact CG1-CD2 3.78Å; V42-Y108 HydrophobicContact CG1-CE1 3.97Å; V42-Y108 HydrophobicContact CG1-CE2 4.07Å; V42-Y108 HydrophobicContact CG1-CG 3.59Å; V42-Y108 HydrophobicContact CG2-CD2 4.12Å; V42-Y108 HydrophobicContact CG2-CE2 4.33Å; Y50-Y108 HydrophobicContact CD1-CE1 4.43Å; Y50-Y108 HydrophobicContact CG-CE1 4.14Å; K51-Y108 HydrophobicContact CD-CE2 4.38Å; D104-Y108 WeakPolarHBondContact O-CD2 3.18Å; D104-Y108 PolarHBondContact O-N 3.45Å; D104-Y108 VanDerWaalsContact O-N 3.13Å; A106-Y108 VanDerWaalsContact C-N 3.32Å; A106-Y108 PolarHBondContact O-N 3.49Å; Y108-I110 VanDerWaalsContact C-N 3.31Å |
| 109 | G | 96.9 | Very high | 97.9 | Very high | 49 Ų | 49 | 36 Ų | 36 | 51% | 0.505 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 36.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M105 A106 | M105-G109 CarbonylContact O-C 3.54Å; M105-G109 WeakPolarHBondContact O-CA 3.45Å; M105-G109 PolarHBondContact O-N 2.88Å; A106-G109 PolarHBondContact O-N 3.32Å |
| 110 | I | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.051 | 20% | 0.204 | C | C | . | . | trans | -80.1 | 128.7 | -176.6 | -64.4 | 167.6 | 0 | 0 | 0 | 109.5 | L11 V42 M105 Y108 E112 | L11-I110 HydrophobicContact CB-CD1 4.17Å; L11-I110 HydrophobicContact CB-CG2 4.12Å; V42-I110 HydrophobicContact CB-CD1 4.5Å; V42-I110 HydrophobicContact CG1-CD1 3.89Å; V42-I110 HydrophobicContact CG2-CD1 4.06Å; M105-I110 HydrophobicContact CB-CB 4.29Å; M105-I110 HydrophobicContact CG-CB 4.38Å; M105-I110 HydrophobicContact CG-CG2 4.44Å; M105-I110 PolarHBondContact O-N 2.98Å; Y108-I110 VanDerWaalsContact C-N 3.31Å; I110-E112 WeakPolarHBondContact CG2-O 3.2Å | ||
| 111 | T | 97.7 | Very high | 97.7 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | trans | -112.3 | -3.7 | 171 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | T145 E146 | T111-T145 CarbonylContact O-C 3.55Å; T111-T145 WeakPolarHBondContact O-CA 3.5Å; T111-E146 PolarHBondContact O-N 3.36Å | ||
| 112 | E | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.2 | -174.2 | -58.8 | 99.9 | 138.1 | 0 | 0 | 112.2 | H8 V10 L11 I110 E146 W148 | H8-E112 IonicContact CE1-OE1 3.64Å; H8-E112 PolarHBondContact CE1-OE1 3.23Å; H8-E112 IonicContact NE2-OE1 3.36Å; H8-E112 PolarHBondContact NE2-OE1 2.9Å; H8-E112 IonicContact NE2-OE2 2.77Å; H8-E112 PolarHBondContact NE2-OE2 3.08Å; V10-E112 HydrophobicContact CG1-CB 4.11Å; L11-E112 PolarHBondContact N-O 3.44Å; I110-E112 WeakPolarHBondContact CG2-O 3.2Å; E112-E146 VanDerWaalsContact CA-O 3.29Å; E112-E146 WeakPolarHBondContact CA-O 3.44Å; E112-E146 HydrophobicContact CG-CB 4.02Å; E112-W148 HydrophobicContact CB-CD2 4.43Å; E112-W148 HydrophobicContact CB-CZ2 4.01Å; E112-W148 HydrophobicContact CG-CH2 4.48Å; E112-W148 HydrophobicContact CG-CZ2 3.66Å |
| 113 | V | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.7 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 109 | L11 L13 M105 F141 T145 E146 I147 W148 | L11-V113 HydrophobicContact CB-CG2 4.43Å; L11-V113 HydrophobicContact CD2-CG1 4.24Å; L11-V113 HydrophobicContact CD2-CG2 4.47Å; L11-V113 CarbonylContact O-C 3.5Å; L11-V113 VanDerWaalsContact O-CA 3.27Å; L11-V113 WeakPolarHBondContact O-CA 3.12Å; L13-V113 HydrophobicContact CD2-CG1 3.33Å; L13-V113 HydrophobicContact CG-CG1 4.15Å; M105-V113 HydrophobicContact CE-CG2 3.97Å; M105-V113 HydrophobicContact SD-CG2 4.28Å; V113-F141 HydrophobicContact CB-CE1 4.46Å; V113-F141 HydrophobicContact CB-CZ 4.43Å; V113-F141 HydrophobicContact CG1-CE1 4.17Å; V113-F141 HydrophobicContact CG1-CE2 4.23Å; V113-F141 HydrophobicContact CG1-CZ 3.77Å; V113-F141 HydrophobicContact CG2-CD1 3.94Å; V113-F141 HydrophobicContact CG2-CE1 3.67Å; V113-F141 HydrophobicContact CG2-CZ 4.12Å; V113-T145 HydrophobicContact CB-CG2 4.21Å; V113-T145 HydrophobicContact CG2-CG2 3.59Å; V113-E146 PolarHBondContact N-O 3.3Å; V113-I147 HydrophobicContact CB-CD1 4Å; V113-I147 HydrophobicContact CG1-CD1 4.48Å; V113-I147 CarbonylContact O-C 3.55Å; V113-I147 WeakPolarHBondContact O-CA 3.47Å; V113-W148 PolarHBondContact O-N 2.9Å |
| 114 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.4 | -173.8 | -165.8 | 0 | 0 | 0 | 0 | 109.2 | V10 L11 L12 L13 W148 T150 M214 | V10-V114 HydrophobicContact CB-CG2 3.92Å; V10-V114 HydrophobicContact CG1-CG2 4.49Å; V10-V114 HydrophobicContact CG2-CG2 3.91Å; L11-V114 PolarHBondContact O-N 2.83Å; L12-V114 CarbonylContact C-O 3.56Å; L12-V114 VanDerWaalsContact CA-O 3.28Å; L12-V114 WeakPolarHBondContact CA-O 3.31Å; L12-V114 HydrophobicContact CB-CB 4.21Å; L12-V114 HydrophobicContact CD1-CB 4.4Å; L12-V114 HydrophobicContact CD1-CG1 4.25Å; L12-V114 HydrophobicContact CG-CB 4.11Å; L12-V114 HydrophobicContact CG-CG1 4.37Å; L13-V114 PolarHBondContact N-O 2.93Å; V114-W148 WeakPolarHBondContact CA-O 3.38Å; V114-W148 HydrophobicContact CB-CB 4.38Å; V114-W148 HydrophobicContact CG1-CB 4.15Å; V114-W148 HydrophobicContact CG2-CB 4.06Å; V114-W148 HydrophobicContact CG2-CD2 4.42Å; V114-W148 HydrophobicContact CG2-CE3 3.93Å; V114-T150 HydrophobicContact CG1-CG2 3.51Å; V114-M214 HydrophobicContact CG1-SD 3.99Å; V114-M214 HydrophobicContact CG2-SD 4.2Å |
| 115 | A | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 164.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L13 A118 D121 W148 D149 T150 E210 | L13-A115 HydrophobicContact CD1-CB 4.25Å; L13-A115 HydrophobicContact CG-CB 4.42Å; L13-A115 WeakPolarHBondContact O-CB 3.06Å; A115-A118 HydrophobicContact CB-CB 3.8Å; A115-D121 HydrophobicContact CB-CB 4.35Å; A115-W148 PolarHBondContact N-O 3.12Å; A115-D149 WeakPolarHBondContact O-CA 3.32Å; A115-T150 PolarHBondContact O-N 3.41Å; A115-E210 VanDerWaalsContact C-OE2 3.28Å; A115-E210 VanDerWaalsContact CA-OE2 3.28Å; A115-E210 WeakPolarHBondContact CA-OE2 3.37Å |
| 116 | H | 97.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 128.8 | 168.7 | -167.8 | 79.9 | 0 | 0 | 0 | 109.6 | A118 T150 L151 A182 A184 E210 | H116-A118 PolarHBondContact O-N 3.03Å; H116-T150 WeakPolarHBondContact CA-OG1 3.46Å; H116-T150 VanDerWaalsContact CB-OG1 3.24Å; H116-T150 WeakPolarHBondContact CB-OG1 3.42Å; H116-T150 PolarHBondContact ND1-OG1 3.12Å; H116-L151 PolarHBondContact ND1-N 2.87Å; H116-A182 PolarHBondContact CE1-O 2.85Å; H116-A182 PolarHBondContact NE2-O 3.37Å; H116-A184 PolarHBondContact NE2-N 3.11Å; H116-E210 HydrophobicContact CB-CG 3.74Å; H116-E210 WeakPolarHBondContact CB-OE1 3.4Å; H116-E210 PolarHBondContact N-OE1 3.01Å; H116-E210 VanDerWaalsContact N-OE1 3.11Å; H116-E210 PolarHBondContact N-OE2 3.1Å |
| 117 | N | 96.2 | Very high | 97.4 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.2 | -171.7 | -174.4 | 41.4 | 0 | 0 | 0 | 111.6 | R119 F120 D149 L151 | N117-R119 PolarHBondContact O-N 3.04Å; N117-F120 WeakPolarHBondContact O-CB 3.49Å; N117-F120 PolarHBondContact O-N 2.94Å; N117-D149 WeakPolarHBondContact CA-OD1 3.46Å; N117-D149 PolarHBondContact N-OD1 3.35Å; N117-L151 HydrophobicContact CB-CD2 3.97Å |
| 118 | A | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -14.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | A115 H116 F120 L122 I147 W148 D149 | A115-A118 HydrophobicContact CB-CB 3.8Å; H116-A118 PolarHBondContact O-N 3.03Å; A118-F120 PolarHBondContact O-N 2.82Å; A118-L122 VanDerWaalsContact O-CB 3.26Å; A118-L122 WeakPolarHBondContact O-CB 3.44Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-L122 VanDerWaalsContact O-N 3.13Å; A118-I147 HydrophobicContact CB-CG2 3.76Å; A118-W148 VanDerWaalsContact CB-O 3.26Å; A118-W148 WeakPolarHBondContact CB-O 3.47Å; A118-D149 HydrophobicContact CB-CB 4.06Å |
| 119 | R | 96.8 | Very high | 97.4 | Very high | 107 Ų | 107 | 29 Ų | 29 | 40% | 0.404 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61 | -36.9 | 170.5 | -178.9 | 162.8 | -67.5 | -76.4 | -5.4 | 111.7 | N117 N123 L228 | N117-R119 PolarHBondContact O-N 3.04Å; R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.15Å; R119-N123 VanDerWaalsContact O-N 3.11Å; R119-N123 PolarHBondContact O-ND2 3.22Å; R119-L228 HydrophobicContact CB-CD1 3.96Å; R119-L228 HydrophobicContact CB-CD2 4.02Å |
| 120 | F | 95.5 | Very high | 97.4 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -58.3 | -179.9 | 177.7 | -98.9 | 0 | 0 | 0 | 110.2 | T17 M30 V33 N117 A118 L122 N123 A124 | T17-F120 HydrophobicContact CG2-CE1 3.89Å; T17-F120 HydrophobicContact CG2-CZ 3.8Å; M30-F120 HydrophobicContact CB-CE2 4.2Å; M30-F120 HydrophobicContact SD-CE2 4.05Å; V33-F120 HydrophobicContact CG2-CE2 4.24Å; V33-F120 HydrophobicContact CG2-CZ 4.33Å; N117-F120 WeakPolarHBondContact O-CB 3.49Å; N117-F120 PolarHBondContact O-N 2.94Å; A118-F120 PolarHBondContact O-N 2.82Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.87Å; F120-N123 WeakPolarHBondContact O-CB 3.3Å; F120-N123 PolarHBondContact O-N 2.84Å; F120-A124 WeakPolarHBondContact O-CB 3.27Å; F120-A124 PolarHBondContact O-N 2.74Å |
| 121 | D | 96.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | -177.7 | -50.7 | -88.5 | 0 | 0 | 0 | 112.2 | L13 T15 A115 N123 A124 L125 | L13-D121 HydrophobicContact CD1-CB 3.6Å; T15-D121 HydrophobicContact CG2-CB 4.47Å; T15-D121 PolarHBondContact N-OD1 2.89Å; T15-D121 PolarHBondContact OG1-OD1 3.26Å; A115-D121 HydrophobicContact CB-CB 4.35Å; D121-N123 VanDerWaalsContact C-N 3.3Å; D121-N123 PolarHBondContact O-N 3.2Å; D121-A124 PolarHBondContact O-N 2.65Å; D121-L125 WeakPolarHBondContact O-CB 3.5Å; D121-L125 VanDerWaalsContact O-CG 3.3Å; D121-L125 WeakPolarHBondContact O-CG 3.35Å; D121-L125 PolarHBondContact O-N 3.04Å |
| 122 | L | 97.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 175.4 | 177 | 64.9 | 0 | 0 | 0 | 111.5 | A118 F120 N126 F141 I147 L228 F229 | A118-L122 VanDerWaalsContact O-CB 3.26Å; A118-L122 WeakPolarHBondContact O-CB 3.44Å; A118-L122 PolarHBondContact O-N 3.38Å; A118-L122 VanDerWaalsContact O-N 3.13Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 PolarHBondContact O-N 2.87Å; L122-N126 VanDerWaalsContact O-CB 3.32Å; L122-N126 WeakPolarHBondContact O-CB 3.49Å; L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 VanDerWaalsContact O-N 3.07Å; L122-N126 PolarHBondContact O-ND2 3.35Å; L122-F141 HydrophobicContact CD1-CD2 4Å; L122-F141 HydrophobicContact CD1-CE2 4.38Å; L122-I147 HydrophobicContact CD1-CD1 4.33Å; L122-I147 HydrophobicContact CD1-CG1 4.35Å; L122-I147 HydrophobicContact CD2-CG1 4.21Å; L122-L228 HydrophobicContact CD2-CD2 4.08Å; L122-F229 HydrophobicContact CD2-CE2 3.57Å; L122-F229 HydrophobicContact CD2-CZ 3.65Å |
| 123 | N | 97.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 37 Ų | 37 | 46% | 0.46 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.8 | -43.1 | 179.3 | -74.4 | -12.9 | 0 | 0 | 0 | 111.3 | R119 F120 D121 N126 L127 | R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.15Å; R119-N123 VanDerWaalsContact O-N 3.11Å; R119-N123 PolarHBondContact O-ND2 3.22Å; F120-N123 WeakPolarHBondContact O-CB 3.3Å; F120-N123 PolarHBondContact O-N 2.84Å; D121-N123 VanDerWaalsContact C-N 3.3Å; D121-N123 PolarHBondContact O-N 3.2Å; N123-N126 PolarHBondContact O-N 3.18Å; N123-L127 VanDerWaalsContact O-CB 3.32Å; N123-L127 WeakPolarHBondContact O-CB 3.41Å; N123-L127 PolarHBondContact O-N 2.9Å |
| 124 | A | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T17 V33 V35 F120 D121 L127 L128 | T17-A124 HydrophobicContact CG2-CB 4.06Å; V33-A124 HydrophobicContact CG2-CB 3.86Å; V35-A124 HydrophobicContact CG2-CB 3.65Å; F120-A124 WeakPolarHBondContact O-CB 3.27Å; F120-A124 PolarHBondContact O-N 2.74Å; D121-A124 PolarHBondContact O-N 2.65Å; A124-L127 PolarHBondContact O-N 2.98Å; A124-L128 WeakPolarHBondContact O-CB 3.48Å; A124-L128 PolarHBondContact O-N 2.86Å |
| 125 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 177.3 | -70.5 | 171.4 | 0 | 0 | 0 | 112.5 | L13 T15 V35 D121 L127 L128 Q129 W140 F141 | L13-L125 HydrophobicContact CD1-CD1 4.18Å; L13-L125 HydrophobicContact CD2-CD1 4.14Å; T15-L125 HydrophobicContact CG2-CD1 4.36Å; T15-L125 HydrophobicContact CG2-CD2 4.07Å; T15-L125 HydrophobicContact CG2-CG 4.13Å; V35-L125 HydrophobicContact CG2-CD2 4.24Å; D121-L125 WeakPolarHBondContact O-CB 3.5Å; D121-L125 VanDerWaalsContact O-CG 3.3Å; D121-L125 WeakPolarHBondContact O-CG 3.35Å; D121-L125 PolarHBondContact O-N 3.04Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.37Å; L125-L128 PolarHBondContact O-N 3.49Å; L125-Q129 PolarHBondContact O-N 3.04Å; L125-W140 HydrophobicContact CB-CB 3.8Å; L125-W140 HydrophobicContact CB-CD2 3.88Å; L125-W140 HydrophobicContact CB-CE3 4.27Å; L125-W140 HydrophobicContact CB-CG 3.66Å; L125-W140 HydrophobicContact CD1-CG 4.3Å; L125-W140 HydrophobicContact CD2-CD2 4Å; L125-W140 HydrophobicContact CD2-CE3 4.33Å; L125-W140 HydrophobicContact CD2-CG 4.47Å; L125-W140 HydrophobicContact CD2-CH2 4.32Å; L125-W140 HydrophobicContact CD2-CZ2 3.98Å; L125-W140 HydrophobicContact CD2-CZ3 4.5Å; L125-W140 HydrophobicContact CG-CD2 4.39Å; L125-W140 HydrophobicContact CG-CG 4.37Å; L125-F141 HydrophobicContact CD1-CE2 3.93Å; L125-F141 HydrophobicContact CD1-CZ 3.87Å |
| 126 | N | 98 | Very high | 96.9 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 173.7 | -73.6 | -25.9 | 0 | 0 | 0 | 111.5 | L122 N123 Q129 R130 Y139 W140 | L122-N126 VanDerWaalsContact O-CB 3.32Å; L122-N126 WeakPolarHBondContact O-CB 3.49Å; L122-N126 PolarHBondContact O-N 3.41Å; L122-N126 VanDerWaalsContact O-N 3.07Å; L122-N126 PolarHBondContact O-ND2 3.35Å; N123-N126 PolarHBondContact O-N 3.18Å; N126-Q129 PolarHBondContact O-N 3.27Å; N126-R130 VanDerWaalsContact O-CG 3.27Å; N126-R130 WeakPolarHBondContact O-CG 3.35Å; N126-R130 PolarHBondContact O-N 2.85Å; N126-Y139 WeakPolarHBondContact OD1-CA 3.3Å; N126-W140 PolarHBondContact OD1-N 3.09Å |
| 127 | L | 96.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 177.8 | -178.4 | 55.6 | 0 | 0 | 0 | 111.5 | T31 S32 V33 L34 N123 A124 L125 Q129 R130 W131 | T31-L127 WeakPolarHBondContact O-CD2 3.2Å; S32-L127 VanDerWaalsContact CA-CD2 3.41Å; V33-L127 WeakPolarHBondContact O-CD2 3.49Å; L34-L127 HydrophobicContact CD2-CG 4.25Å; N123-L127 VanDerWaalsContact O-CB 3.32Å; N123-L127 WeakPolarHBondContact O-CB 3.41Å; N123-L127 PolarHBondContact O-N 2.9Å; A124-L127 PolarHBondContact O-N 2.98Å; L125-L127 VanDerWaalsContact C-N 3.31Å; L125-L127 PolarHBondContact O-N 3.37Å; L127-Q129 VanDerWaalsContact C-N 3.31Å; L127-Q129 PolarHBondContact O-N 2.8Å; L127-R130 PolarHBondContact O-N 3.22Å; L127-R130 VanDerWaalsContact O-N 3.1Å; L127-W131 WeakPolarHBondContact O-CB 3.44Å; L127-W131 PolarHBondContact O-N 3.36Å |
| 128 | L | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.7 | -46.8 | 172.6 | 178.9 | 72.4 | 0 | 0 | 0 | 111.5 | V35 N57 I60 T94 A124 L125 R130 W131 T132 W140 | V35-L128 HydrophobicContact CB-CD2 4.15Å; N57-L128 WeakPolarHBondContact ND2-CD1 3.46Å; N57-L128 WeakPolarHBondContact ND2-CD2 3.37Å; I60-L128 HydrophobicContact CD1-CD1 3.81Å; I60-L128 HydrophobicContact CG1-CD1 3.59Å; T94-L128 HydrophobicContact CG2-CD1 4.4Å; T94-L128 HydrophobicContact CG2-CD2 3.69Å; T94-L128 HydrophobicContact CG2-CG 3.74Å; A124-L128 WeakPolarHBondContact O-CB 3.48Å; A124-L128 PolarHBondContact O-N 2.86Å; L125-L128 PolarHBondContact O-N 3.49Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.43Å; L128-W131 PolarHBondContact O-N 3.22Å; L128-T132 HydrophobicContact CD1-CG2 4.19Å; L128-T132 PolarHBondContact O-N 2.9Å; L128-T132 PolarHBondContact O-OG1 3.4Å; L128-W140 HydrophobicContact CD2-CH2 4.03Å; L128-W140 HydrophobicContact CD2-CZ3 3.73Å; L128-W140 HydrophobicContact CG-CZ3 4.45Å |
| 129 | Q | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 176.5 | -174.4 | 67.8 | 29.8 | 0 | 0 | 111.2 | L125 N126 L127 T133 W140 | L125-Q129 PolarHBondContact O-N 3.04Å; N126-Q129 PolarHBondContact O-N 3.27Å; L127-Q129 VanDerWaalsContact C-N 3.31Å; L127-Q129 PolarHBondContact O-N 2.8Å; Q129-T133 VanDerWaalsContact O-CB 3.32Å; Q129-T133 WeakPolarHBondContact O-CB 2.81Å; Q129-T133 VanDerWaalsContact O-CG2 3.3Å; Q129-T133 WeakPolarHBondContact O-CG2 3.38Å; Q129-T133 PolarHBondContact O-N 3.37Å; Q129-T133 PolarHBondContact O-OG1 3.32Å; Q129-W140 HydrophobicContact CB-CE3 4.18Å |
| 130 | R | 97.4 | Very high | 96.9 | Very high | 119 Ų | 119 | 67.6 Ų | 67.6 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | -178.5 | -72.2 | 173.8 | 68.2 | -170.5 | -0.7 | 112.1 | N126 L127 L128 K134 S135 R138 | N126-R130 VanDerWaalsContact O-CG 3.27Å; N126-R130 WeakPolarHBondContact O-CG 3.35Å; N126-R130 PolarHBondContact O-N 2.85Å; L127-R130 PolarHBondContact O-N 3.22Å; L127-R130 VanDerWaalsContact O-N 3.1Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 3.43Å; R130-K134 CarbonylContact O-C 3.58Å; R130-K134 WeakPolarHBondContact O-CA 2.97Å; R130-K134 PolarHBondContact O-N 2.98Å; R130-K134 VanDerWaalsContact O-N 3.08Å; R130-S135 PolarHBondContact O-N 3.09Å; R130-R138 HydrophobicContact CG-CB 4.45Å |
| 131 | W | 96 | Very high | 97 | Very high | 127 Ų | 127 | 66 Ų | 66 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -60.4 | 177.9 | -179.6 | -104.8 | 0 | 0 | 0 | 110.6 | L34 E64 L127 L128 T133 K134 | L34-W131 HydrophobicContact CD1-CD2 4.17Å; L34-W131 HydrophobicContact CD1-CG 4.2Å; L34-W131 HydrophobicContact CD2-CB 3.8Å; L34-W131 HydrophobicContact CD2-CD2 4.35Å; L34-W131 HydrophobicContact CD2-CG 3.84Å; E64-W131 PolarHBondContact OE1-NE1 3.1Å; L127-W131 WeakPolarHBondContact O-CB 3.44Å; L127-W131 PolarHBondContact O-N 3.36Å; L128-W131 PolarHBondContact O-N 3.22Å; W131-T133 VanDerWaalsContact C-N 3.26Å; W131-T133 PolarHBondContact O-N 2.92Å; W131-K134 PolarHBondContact O-N 3.04Å |
| 132 | T | 96.7 | Very high | 97 | Very high | 49 Ų | 49 | 68.9 Ų | 68.9 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.7 | -23.4 | -173.5 | 55.6 | 0 | 0 | 0 | 0 | 114 | D59 T94 L128 | D59-T132 HydrophobicContact CB-CG2 4.28Å; T94-T132 HydrophobicContact CG2-CG2 4.11Å; T94-T132 WeakPolarHBondContact CG2-OG1 3.39Å; T94-T132 WeakPolarHBondContact OG1-CG2 3.38Å; L128-T132 HydrophobicContact CD1-CG2 4.19Å; L128-T132 PolarHBondContact O-N 2.9Å; L128-T132 PolarHBondContact O-OG1 3.4Å |
| 133 | T | 96.7 | Very high | 96.9 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 22% | 0.221 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 8.5 | 179.9 | 73 | 0 | 0 | 0 | 0 | 113.6 | Q129 W131 S135 K136 Y137 | Q129-T133 VanDerWaalsContact O-CB 3.32Å; Q129-T133 WeakPolarHBondContact O-CB 2.81Å; Q129-T133 VanDerWaalsContact O-CG2 3.3Å; Q129-T133 WeakPolarHBondContact O-CG2 3.38Å; Q129-T133 PolarHBondContact O-N 3.37Å; Q129-T133 PolarHBondContact O-OG1 3.32Å; W131-T133 VanDerWaalsContact C-N 3.26Å; W131-T133 PolarHBondContact O-N 2.92Å; T133-S135 PolarHBondContact O-N 3.25Å; T133-K136 WeakPolarHBondContact O-CB 3.33Å; T133-K136 PolarHBondContact O-N 3.43Å; T133-Y137 HydrophobicContact CG2-CD2 3.92Å; T133-Y137 PolarHBondContact OG1-N 2.97Å; T133-Y137 PolarHBondContact OG1-O 3.47Å |
| 134 | K | 96 | Very high | 96.8 | Very high | 195 Ų | 195 | 78.1 Ų | 78.1 | 85% | 0.848 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 42.9 | -175.5 | -56.7 | -180 | -178.9 | -179.9 | 0 | 111.7 | R130 W131 K136 | R130-K134 CarbonylContact O-C 3.58Å; R130-K134 WeakPolarHBondContact O-CA 2.97Å; R130-K134 PolarHBondContact O-N 2.98Å; R130-K134 VanDerWaalsContact O-N 3.08Å; W131-K134 PolarHBondContact O-N 3.04Å; K134-K136 PolarHBondContact O-N 2.82Å; K134-K136 VanDerWaalsContact O-N 3.15Å |
| 135 | S | 95.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 79.4 Ų | 79.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 13.3 | -176.6 | -63.1 | 0 | 0 | 0 | 0 | 116.4 | R130 T133 Y137 | R130-S135 PolarHBondContact O-N 3.09Å; T133-S135 PolarHBondContact O-N 3.25Å; S135-Y137 PolarHBondContact O-N 2.92Å |
| 136 | K | 96.9 | Very high | 96.9 | Very high | 158 Ų | 158 | 81.8 Ų | 81.8 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -55.7 | -37 | 168.1 | -178 | 178.6 | 178.5 | -178.8 | 0 | 110.9 | T133 K134 | T133-K136 WeakPolarHBondContact O-CB 3.33Å; T133-K136 PolarHBondContact O-N 3.43Å; K134-K136 PolarHBondContact O-N 2.82Å; K134-K136 VanDerWaalsContact O-N 3.15Å |
| 137 | Y | 96.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 81.2 Ų | 81.2 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | trans | -123.5 | 138.6 | 173.2 | -58.1 | -72.6 | 0 | 0 | 0 | 109.5 | T133 S135 | T133-Y137 HydrophobicContact CG2-CD2 3.92Å; T133-Y137 PolarHBondContact OG1-N 2.97Å; T133-Y137 PolarHBondContact OG1-O 3.47Å; S135-Y137 PolarHBondContact O-N 2.92Å | ||
| 138 | R | 95.1 | Very high | 97 | Very high | 162 Ų | 162 | 79.3 Ų | 79.3 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | trans | -110.9 | -29.3 | -170.9 | -64 | -175.2 | -175.3 | 178.9 | 1.5 | 115 | R130 | R130-R138 HydrophobicContact CG-CB 4.45Š| ||
| 139 | Y | 97.6 | Very high | 97.1 | Very high | 163 Ų | 163 | 79.6 Ų | 79.6 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | trans | -116.5 | 134.2 | -174.1 | -56.1 | -61.6 | 0 | 0 | 0 | 110.1 | N126 | N126-Y139 WeakPolarHBondContact OD1-CA 3.3Š| ||
| 140 | W | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -69.4 | -56.3 | 177.1 | -174.9 | -96.3 | 0 | 0 | 0 | 110.5 | T94 I97 R98 M101 L125 N126 L128 Q129 | T94-W140 HydrophobicContact CG2-CH2 4.24Å; T94-W140 HydrophobicContact CG2-CZ3 3.78Å; I97-W140 HydrophobicContact CG2-CH2 4.25Å; I97-W140 HydrophobicContact CG2-CZ2 4.15Å; R98-W140 HydrophobicContact CB-CE3 4.49Å; R98-W140 HydrophobicContact CB-CH2 3.56Å; R98-W140 HydrophobicContact CB-CZ2 3.64Å; R98-W140 HydrophobicContact CB-CZ3 4Å; R98-W140 HydrophobicContact CG-CD2 4.23Å; R98-W140 HydrophobicContact CG-CE3 4.41Å; R98-W140 HydrophobicContact CG-CH2 4.24Å; R98-W140 HydrophobicContact CG-CZ2 4.05Å; R98-W140 HydrophobicContact CG-CZ3 4.4Å; R98-W140 VanDerWaalsContact CZ-O 3.29Å; R98-W140 PolarHBondContact NE-O 3.37Å; R98-W140 PolarHBondContact NH2-O 3.16Å; M101-W140 PolarHBondContact SD-NE1 3.11Å; L125-W140 HydrophobicContact CB-CB 3.8Å; L125-W140 HydrophobicContact CB-CD2 3.88Å; L125-W140 HydrophobicContact CB-CE3 4.27Å; L125-W140 HydrophobicContact CB-CG 3.66Å; L125-W140 HydrophobicContact CD1-CG 4.3Å; L125-W140 HydrophobicContact CD2-CD2 4Å; L125-W140 HydrophobicContact CD2-CE3 4.33Å; L125-W140 HydrophobicContact CD2-CG 4.47Å; L125-W140 HydrophobicContact CD2-CH2 4.32Å; L125-W140 HydrophobicContact CD2-CZ2 3.98Å; L125-W140 HydrophobicContact CD2-CZ3 4.5Å; L125-W140 HydrophobicContact CG-CD2 4.39Å; L125-W140 HydrophobicContact CG-CG 4.37Å; N126-W140 PolarHBondContact OD1-N 3.09Å; L128-W140 HydrophobicContact CD2-CH2 4.03Å; L128-W140 HydrophobicContact CD2-CZ3 3.73Å; L128-W140 HydrophobicContact CG-CZ3 4.45Å; Q129-W140 HydrophobicContact CB-CE3 4.18Å |
| 141 | F | 98.3 | Very high | 97.1 | Very high | 17 Ų | 17 | 74 Ų | 74 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -81.8 | 152.3 | -178.2 | -63.5 | -68.8 | 0 | 0 | 0 | 113 | L13 M101 M105 V113 L122 L125 T145 I147 | L13-F141 HydrophobicContact CD2-CE1 4.38Å; L13-F141 HydrophobicContact CD2-CE2 4.37Å; L13-F141 HydrophobicContact CD2-CZ 3.54Å; M101-F141 HydrophobicContact SD-CE1 3.51Å; M101-F141 VanDerWaalsContact SD-CE1 3.51Å; M101-F141 HydrophobicContact SD-CZ 3.88Å; M105-F141 HydrophobicContact CE-CD1 4.36Å; M105-F141 HydrophobicContact SD-CD1 3.94Å; M105-F141 HydrophobicContact SD-CE1 4.18Å; V113-F141 HydrophobicContact CB-CE1 4.46Å; V113-F141 HydrophobicContact CB-CZ 4.43Å; V113-F141 HydrophobicContact CG1-CE1 4.17Å; V113-F141 HydrophobicContact CG1-CE2 4.23Å; V113-F141 HydrophobicContact CG1-CZ 3.77Å; V113-F141 HydrophobicContact CG2-CD1 3.94Å; V113-F141 HydrophobicContact CG2-CE1 3.67Å; V113-F141 HydrophobicContact CG2-CZ 4.12Å; L122-F141 HydrophobicContact CD1-CD2 4Å; L122-F141 HydrophobicContact CD1-CE2 4.38Å; L125-F141 HydrophobicContact CD1-CE2 3.93Å; L125-F141 HydrophobicContact CD1-CZ 3.87Å; F141-T145 HydrophobicContact CB-CG2 4.04Å; F141-T145 HydrophobicContact CD1-CG2 4.33Å; F141-T145 HydrophobicContact CG-CG2 4.18Å; F141-I147 HydrophobicContact CD2-CD1 4.15Å; F141-I147 HydrophobicContact CE2-CD1 4.47Å |
| 142 | P | 97.3 | Very high | 97.2 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 152 | 171.2 | -21.1 | 33.9 | 0 | 0 | 0 | 111.7 | L102 G144 T145 | L102-P142 HydrophobicContact CD2-CG 3.82Å; P142-G144 PolarHBondContact O-N 3.5Å; P142-T145 WeakPolarHBondContact O-CB 3.29Å; P142-T145 PolarHBondContact O-N 3.04Å; P142-T145 PolarHBondContact O-OG1 3.39Å |
| 143 | Y | 96 | Very high | 97.2 | Very high | 240 Ų | 240 | 66.9 Ų | 66.9 | 94% | 0.941 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 138.8 | 171.5 | 179.9 | -97.2 | 0 | 0 | 0 | 110.8 | ||
| 144 | G | 95.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 65.2 Ų | 65.2 | 62% | 0.619 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -7.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | P142 E146 | P142-G144 PolarHBondContact O-N 3.5Å; G144-E146 PolarHBondContact O-N 3.19Å |
| 145 | T | 98.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 121.4 | 173.8 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | M105 T111 V113 F141 P142 I147 | M105-T145 HydrophobicContact CE-CG2 3.87Å; T111-T145 CarbonylContact O-C 3.55Å; T111-T145 WeakPolarHBondContact O-CA 3.5Å; V113-T145 HydrophobicContact CB-CG2 4.21Å; V113-T145 HydrophobicContact CG2-CG2 3.59Å; F141-T145 HydrophobicContact CB-CG2 4.04Å; F141-T145 HydrophobicContact CD1-CG2 4.33Å; F141-T145 HydrophobicContact CG-CG2 4.18Å; P142-T145 WeakPolarHBondContact O-CB 3.29Å; P142-T145 PolarHBondContact O-N 3.04Å; P142-T145 PolarHBondContact O-OG1 3.39Å; T145-I147 HydrophobicContact CG2-CD1 4.09Å |
| 146 | E | 97.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.229 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.5 | 176.8 | -177.5 | 170.5 | 123.9 | 0 | 0 | 110.3 | T111 E112 V113 G144 W148 K227 | T111-E146 PolarHBondContact O-N 3.36Å; E112-E146 VanDerWaalsContact CA-O 3.29Å; E112-E146 WeakPolarHBondContact CA-O 3.44Å; E112-E146 HydrophobicContact CG-CB 4.02Å; V113-E146 PolarHBondContact N-O 3.3Å; G144-E146 PolarHBondContact O-N 3.19Å; E146-W148 PolarHBondContact OE1-NE1 2.72Å; E146-K227 VanDerWaalsContact CD-CD 3.49Å; E146-K227 HydrophobicContact CG-CD 4.16Å; E146-K227 HydrophobicContact CG-CG 4.24Å; E146-K227 WeakPolarHBondContact OE1-CD 3.35Å; E146-K227 WeakPolarHBondContact OE1-CE 3.39Å; E146-K227 WeakPolarHBondContact OE1-CG 3.39Å; E146-K227 IonicContact OE1-NZ 3.99Å; E146-K227 WeakPolarHBondContact OE2-CD 3.42Å; E146-K227 WeakPolarHBondContact OE2-CE 3.21Å; E146-K227 IonicContact OE2-NZ 2.87Å; E146-K227 PolarHBondContact OE2-NZ 3.05Å |
| 147 | I | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.7 | -180 | -50.5 | -56.5 | 0 | 0 | 0 | 109.5 | V113 A118 L122 F141 T145 K227 L228 | V113-I147 HydrophobicContact CB-CD1 4Å; V113-I147 HydrophobicContact CG1-CD1 4.48Å; V113-I147 CarbonylContact O-C 3.55Å; V113-I147 WeakPolarHBondContact O-CA 3.47Å; A118-I147 HydrophobicContact CB-CG2 3.76Å; L122-I147 HydrophobicContact CD1-CD1 4.33Å; L122-I147 HydrophobicContact CD1-CG1 4.35Å; L122-I147 HydrophobicContact CD2-CG1 4.21Å; F141-I147 HydrophobicContact CD2-CD1 4.15Å; F141-I147 HydrophobicContact CE2-CD1 4.47Å; T145-I147 HydrophobicContact CG2-CD1 4.09Å; I147-K227 CarbonylContact O-C 3.45Å; I147-K227 WeakPolarHBondContact O-CA 3.08Å; I147-L228 HydrophobicContact CB-CB 4.1Å; I147-L228 HydrophobicContact CB-CD2 4.36Å; I147-L228 HydrophobicContact CG2-CB 3.98Å; I147-L228 HydrophobicContact CG2-CD2 3.86Å; I147-L228 PolarHBondContact O-N 2.84Å |
| 148 | W | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 147.4 | 174.1 | -66.7 | 3.8 | 0 | 0 | 0 | 110.9 | H8 V10 E112 V113 V114 A115 A118 E146 M153 M214 Y218 K226 | H8-W148 AromaticContact CE1-CH2 3.68Å; V10-W148 HydrophobicContact CG1-CE3 4.38Å; V10-W148 HydrophobicContact CG1-CH2 4Å; V10-W148 HydrophobicContact CG1-CZ3 3.75Å; E112-W148 HydrophobicContact CB-CD2 4.43Å; E112-W148 HydrophobicContact CB-CZ2 4.01Å; E112-W148 HydrophobicContact CG-CH2 4.48Å; E112-W148 HydrophobicContact CG-CZ2 3.66Å; V113-W148 PolarHBondContact O-N 2.9Å; V114-W148 WeakPolarHBondContact CA-O 3.38Å; V114-W148 HydrophobicContact CB-CB 4.38Å; V114-W148 HydrophobicContact CG1-CB 4.15Å; V114-W148 HydrophobicContact CG2-CB 4.06Å; V114-W148 HydrophobicContact CG2-CD2 4.42Å; V114-W148 HydrophobicContact CG2-CE3 3.93Å; A115-W148 PolarHBondContact N-O 3.12Å; A118-W148 VanDerWaalsContact CB-O 3.26Å; A118-W148 WeakPolarHBondContact CB-O 3.47Å; E146-W148 PolarHBondContact OE1-NE1 2.72Å; W148-M153 HydrophobicContact CB-CE 4Å; W148-M153 HydrophobicContact CD2-CE 4.44Å; W148-M153 HydrophobicContact CE3-CE 4.04Å; W148-M153 HydrophobicContact CG-CE 4.46Å; W148-M214 HydrophobicContact CE3-CE 3.91Å; W148-M214 HydrophobicContact CZ3-CE 3.72Å; W148-Y218 WeakPolarHBondContact CZ3-OH 3.3Å; W148-K226 CarbonylContact C-O 3.49Å; W148-K226 WeakPolarHBondContact CA-O 3.41Å; W148-K226 HydrophobicContact CD2-CB 4.2Å; W148-K226 HydrophobicContact CD2-CD 3.88Å; W148-K226 HydrophobicContact CD2-CG 4.23Å; W148-K226 HydrophobicContact CE3-CD 4.28Å; W148-K226 HydrophobicContact CG-CB 4.11Å; W148-K226 HydrophobicContact CG-CD 4.46Å; W148-K226 HydrophobicContact CG-CG 4.29Å; W148-K226 HydrophobicContact CH2-CD 4.15Å; W148-K226 HydrophobicContact CZ2-CD 3.74Å; W148-K226 VanDerWaalsContact CZ2-CE 3.48Å; W148-K226 HydrophobicContact CZ3-CD 4.39Å |
| 149 | D | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111 | -176 | -178.2 | 2.2 | 0 | 0 | 0 | 110.4 | A115 N117 A118 L151 K152 M153 K226 | A115-D149 WeakPolarHBondContact O-CA 3.32Å; N117-D149 WeakPolarHBondContact CA-OD1 3.46Å; N117-D149 PolarHBondContact N-OD1 3.35Å; A118-D149 HydrophobicContact CB-CB 4.06Å; D149-L151 PolarHBondContact O-N 2.77Å; D149-L151 WeakPolarHBondContact OD1-CB 3.5Å; D149-L151 PolarHBondContact OD1-N 2.86Å; D149-K152 HydrophobicContact CB-CB 4.3Å; D149-K152 HydrophobicContact CB-CD 4.39Å; D149-K152 HydrophobicContact CB-CG 4.17Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 3.23Å; D149-K152 VanDerWaalsContact O-N 3.12Å; D149-M153 PolarHBondContact O-N 3.13Å; D149-K226 PolarHBondContact N-O 2.8Å |
| 150 | T | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -21.8 | 179 | 69 | 0 | 0 | 0 | 0 | 112 | V114 A115 H116 M153 S154 M214 | V114-T150 HydrophobicContact CG1-CG2 3.51Å; A115-T150 PolarHBondContact O-N 3.41Å; H116-T150 WeakPolarHBondContact CA-OG1 3.46Å; H116-T150 VanDerWaalsContact CB-OG1 3.24Å; H116-T150 WeakPolarHBondContact CB-OG1 3.42Å; H116-T150 PolarHBondContact ND1-OG1 3.12Å; T150-M153 WeakPolarHBondContact O-CB 3.3Å; T150-M153 PolarHBondContact O-N 3.29Å; T150-S154 WeakPolarHBondContact O-CB 3.32Å; T150-S154 PolarHBondContact O-N 3.19Å; T150-S154 PolarHBondContact O-OG 2.62Å; T150-M214 HydrophobicContact CG2-CB 4.04Å |
| 151 | L | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 172.7 | 178.4 | 57.7 | 0 | 0 | 0 | 111.7 | H116 N117 D149 S154 R155 A182 | H116-L151 PolarHBondContact ND1-N 2.87Å; N117-L151 HydrophobicContact CB-CD2 3.97Å; D149-L151 PolarHBondContact O-N 2.77Å; D149-L151 WeakPolarHBondContact OD1-CB 3.5Å; D149-L151 PolarHBondContact OD1-N 2.86Å; L151-S154 WeakPolarHBondContact CA-OG 3.34Å; L151-S154 PolarHBondContact O-OG 3.17Å; L151-R155 HydrophobicContact CD1-CG 4.48Å; L151-R155 WeakPolarHBondContact O-CB 3.26Å; L151-R155 WeakPolarHBondContact O-CD 3.32Å; L151-R155 WeakPolarHBondContact O-CG 3.27Å; L151-R155 PolarHBondContact O-N 3.38Å; L151-A182 HydrophobicContact CD1-CB 3.6Å; L151-A182 WeakPolarHBondContact CD1-O 3.48Å |
| 152 | K | 97.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 171.5 | -75.7 | -171.8 | -180 | -168 | 0 | 111.4 | D149 R155 D156 R225 K227 L228 E230 | D149-K152 HydrophobicContact CB-CB 4.3Å; D149-K152 HydrophobicContact CB-CD 4.39Å; D149-K152 HydrophobicContact CB-CG 4.17Å; D149-K152 WeakPolarHBondContact O-CB 3.33Å; D149-K152 PolarHBondContact O-N 3.23Å; D149-K152 VanDerWaalsContact O-N 3.12Å; K152-R155 PolarHBondContact O-N 3.45Å; K152-D156 PolarHBondContact O-N 3.35Å; K152-D156 VanDerWaalsContact O-N 3.12Å; K152-R225 HydrophobicContact CB-CB 4.44Å; K152-R225 HydrophobicContact CD-CB 4.49Å; K152-K227 WeakPolarHBondContact CD-O 3.44Å; K152-K227 PolarHBondContact NZ-O 2.65Å; K152-L228 PolarHBondContact NZ-O 2.94Å; K152-E230 IonicContact NZ-OE1 2.9Å |
| 153 | M | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 176.3 | -59 | 177.6 | -163.9 | 0 | 0 | 110.6 | W148 D149 T150 R155 D156 V157 M214 C217 Y218 M224 R225 K226 | W148-M153 HydrophobicContact CB-CE 4Å; W148-M153 HydrophobicContact CD2-CE 4.44Å; W148-M153 HydrophobicContact CE3-CE 4.04Å; W148-M153 HydrophobicContact CG-CE 4.46Å; D149-M153 PolarHBondContact O-N 3.13Å; T150-M153 WeakPolarHBondContact O-CB 3.3Å; T150-M153 PolarHBondContact O-N 3.29Å; M153-R155 PolarHBondContact O-N 2.85Å; M153-D156 PolarHBondContact O-N 3.06Å; M153-D156 VanDerWaalsContact O-N 3.15Å; M153-V157 WeakPolarHBondContact O-CB 3.26Å; M153-V157 WeakPolarHBondContact O-CG2 3.45Å; M153-V157 PolarHBondContact O-N 3.47Å; M153-M214 HydrophobicContact SD-CG 4.14Å; M153-C217 HydrophobicContact CB-CB 4.05Å; M153-Y218 HydrophobicContact CE-CE2 4.21Å; M153-Y218 HydrophobicContact SD-CD2 4.45Å; M153-Y218 HydrophobicContact SD-CE2 3.9Å; M153-M224 HydrophobicContact CB-SD 3.94Å; M153-M224 HydrophobicContact CG-SD 4.05Å; M153-R225 PolarHBondContact N-O 3.37Å; M153-K226 HydrophobicContact CE-CB 3.64Å; M153-K226 HydrophobicContact CG-CB 4.5Å |
| 154 | S | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -39.2 | -179.7 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | T150 L151 D156 V157 I158 L159 | T150-S154 WeakPolarHBondContact O-CB 3.32Å; T150-S154 PolarHBondContact O-N 3.19Å; T150-S154 PolarHBondContact O-OG 2.62Å; L151-S154 WeakPolarHBondContact CA-OG 3.34Å; L151-S154 PolarHBondContact O-OG 3.17Å; S154-D156 VanDerWaalsContact C-N 3.3Å; S154-D156 PolarHBondContact O-N 2.87Å; S154-V157 CarbonylContact O-C 3.58Å; S154-V157 PolarHBondContact O-N 2.73Å; S154-I158 WeakPolarHBondContact O-CA 3.33Å; S154-I158 PolarHBondContact O-N 3.39Å; S154-L159 PolarHBondContact O-N 3.48Å |
| 155 | R | 97.6 | Very high | 97.8 | Very high | 119 Ų | 119 | 34.9 Ų | 34.9 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 173 | -79.5 | 169.2 | 176.3 | 158.6 | 0.9 | 113 | L151 K152 M153 L159 | L151-R155 HydrophobicContact CD1-CG 4.48Å; L151-R155 WeakPolarHBondContact O-CB 3.26Å; L151-R155 WeakPolarHBondContact O-CD 3.32Å; L151-R155 WeakPolarHBondContact O-CG 3.27Å; L151-R155 PolarHBondContact O-N 3.38Å; K152-R155 PolarHBondContact O-N 3.45Å; M153-R155 PolarHBondContact O-N 2.85Å; R155-L159 HydrophobicContact CG-CD2 3.94Å |
| 156 | D | 97.7 | Very high | 97.8 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -83.1 | -21.9 | -178.1 | -73.2 | -16 | 0 | 0 | 0 | 113.2 | K152 M153 S154 K160 M224 R225 | K152-D156 PolarHBondContact O-N 3.35Å; K152-D156 VanDerWaalsContact O-N 3.12Å; M153-D156 PolarHBondContact O-N 3.06Å; M153-D156 VanDerWaalsContact O-N 3.15Å; S154-D156 VanDerWaalsContact C-N 3.3Å; S154-D156 PolarHBondContact O-N 2.87Å; D156-K160 WeakPolarHBondContact O-CD 3.33Å; D156-K160 PolarHBondContact O-NZ 2.98Å; D156-K160 IonicContact OD1-NZ 3.22Å; D156-M224 HydrophobicContact CB-CB 3.88Å; D156-R225 IonicContact OD1-CZ 3.11Å; D156-R225 IonicContact OD1-NE 2.66Å; D156-R225 PolarHBondContact OD1-NE 3.29Å; D156-R225 IonicContact OD1-NH2 3.66Å; D156-R225 PolarHBondContact OD1-NH2 3.07Å; D156-R225 WeakPolarHBondContact OD2-CB 3.41Å; D156-R225 WeakPolarHBondContact OD2-CG 3.33Å; D156-R225 IonicContact OD2-CZ 2.77Å; D156-R225 PolarHBondContact OD2-N 3.12Å; D156-R225 IonicContact OD2-NE 2.97Å; D156-R225 PolarHBondContact OD2-NE 2.72Å; D156-R225 IonicContact OD2-NH2 4Å |
| 157 | V | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -70.1 | -174.1 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | M153 S154 M161 C217 Q220 K222 M224 | M153-V157 WeakPolarHBondContact O-CB 3.26Å; M153-V157 WeakPolarHBondContact O-CG2 3.45Å; M153-V157 PolarHBondContact O-N 3.47Å; S154-V157 CarbonylContact O-C 3.58Å; S154-V157 PolarHBondContact O-N 2.73Å; V157-M161 WeakPolarHBondContact O-CG 3.49Å; V157-C217 HydrophobicContact CB-CB 4.39Å; V157-C217 HydrophobicContact CG2-CB 4.27Å; V157-Q220 HydrophobicContact CG1-CB 3.7Å; V157-Q220 HydrophobicContact CG1-CG 3.37Å; V157-K222 HydrophobicContact CG1-CD 4.47Å; V157-K222 HydrophobicContact CG2-CB 4.36Å; V157-M224 HydrophobicContact CG2-CB 3.87Å; V157-M224 HydrophobicContact CG2-CG 4.4Å; V157-M224 HydrophobicContact CG2-SD 3.81Å |
| 158 | I | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -47.9 | -169.7 | -60.2 | 172.6 | 0 | 0 | 0 | 111 | S154 K160 M161 Y164 L187 F190 I191 I213 Y216 | S154-I158 WeakPolarHBondContact O-CA 3.33Å; S154-I158 PolarHBondContact O-N 3.39Å; I158-K160 PolarHBondContact O-N 3.07Å; I158-K160 VanDerWaalsContact O-N 3.11Å; I158-M161 VanDerWaalsContact O-CB 3.26Å; I158-M161 WeakPolarHBondContact O-CB 3.44Å; I158-M161 WeakPolarHBondContact O-CG 3.46Å; I158-M161 PolarHBondContact O-N 3.45Å; I158-Y164 HydrophobicContact CG2-CD1 3.95Å; I158-Y164 HydrophobicContact CG2-CD2 3.82Å; I158-Y164 HydrophobicContact CG2-CE1 4.33Å; I158-Y164 HydrophobicContact CG2-CE2 4.22Å; I158-Y164 HydrophobicContact CG2-CG 3.65Å; I158-Y164 WeakPolarHBondContact O-CB 3.35Å; I158-L187 HydrophobicContact CB-CD2 4.09Å; I158-L187 HydrophobicContact CD1-CD2 4.03Å; I158-L187 HydrophobicContact CG2-CD2 3.67Å; I158-F190 HydrophobicContact CG2-CD1 3.94Å; I158-F190 HydrophobicContact CG2-CE1 4.01Å; I158-I191 HydrophobicContact CD1-CD1 4.23Å; I158-I213 HydrophobicContact CD1-CG2 4.32Å; I158-Y216 HydrophobicContact CD1-CD1 3.89Å; I158-Y216 HydrophobicContact CD1-CE1 4.43Å; I158-Y216 HydrophobicContact CG1-CD1 3.81Å; I158-Y216 HydrophobicContact CG1-CE1 3.99Å |
| 159 | L | 97.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18 | -177 | -87.6 | 65.3 | 0 | 0 | 0 | 113.5 | S154 R155 M161 Y164 A182 L187 | S154-L159 PolarHBondContact O-N 3.48Å; R155-L159 HydrophobicContact CG-CD2 3.94Å; L159-M161 VanDerWaalsContact C-N 3.35Å; L159-Y164 HydrophobicContact CD1-CD1 4.22Å; L159-Y164 HydrophobicContact CD1-CE1 3.77Å; L159-Y164 HydrophobicContact CG-CD1 4.32Å; L159-Y164 HydrophobicContact CG-CE1 4.08Å; L159-A182 HydrophobicContact CD1-CB 4.31Å; L159-A182 HydrophobicContact CD2-CB 3.95Å; L159-L187 HydrophobicContact CD1-CD2 3.81Å |
| 160 | K | 96.6 | Very high | 97.6 | Very high | 137 Ų | 137 | 49.2 Ų | 49.2 | 60% | 0.596 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.8 | 174.3 | -62.2 | -173.8 | -170 | 158 | 0 | 113 | D156 I158 P162 | D156-K160 WeakPolarHBondContact O-CD 3.33Å; D156-K160 PolarHBondContact O-NZ 2.98Å; D156-K160 IonicContact OD1-NZ 3.22Å; I158-K160 PolarHBondContact O-N 3.07Å; I158-K160 VanDerWaalsContact O-N 3.11Å; K160-P162 WeakPolarHBondContact O-CD 3.12Å |
| 161 | M | 97 | Very high | 97.5 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | trans | -80.9 | 126.4 | -179.4 | -62 | 175.1 | 74.2 | 0 | 0 | 110.4 | V157 I158 L159 T163 Y164 K165 F190 Y216 | V157-M161 WeakPolarHBondContact O-CG 3.49Å; I158-M161 VanDerWaalsContact O-CB 3.26Å; I158-M161 WeakPolarHBondContact O-CB 3.44Å; I158-M161 WeakPolarHBondContact O-CG 3.46Å; I158-M161 PolarHBondContact O-N 3.45Å; L159-M161 VanDerWaalsContact C-N 3.35Å; M161-T163 PolarHBondContact O-N 3.34Å; M161-T163 VanDerWaalsContact O-N 3.16Å; M161-Y164 PolarHBondContact O-N 3.29Å; M161-K165 PolarHBondContact O-N 3.05Å; M161-K165 VanDerWaalsContact O-N 3.16Å; M161-F190 HydrophobicContact CE-CZ 4.37Å; M161-F190 HydrophobicContact SD-CE1 4.35Å; M161-F190 HydrophobicContact SD-CZ 4.5Å; M161-Y216 WeakPolarHBondContact CE-OH 3.41Å; M161-Y216 HydrophobicContact SD-CE1 4.03Å | ||
| 162 | P | 97.5 | Very high | 97.4 | Very high | 89 Ų | 89 | 56 Ų | 56 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.4 | -29.5 | 172.7 | -26.1 | 35.2 | 0 | 0 | 0 | 113.2 | K160 R166 | K160-P162 WeakPolarHBondContact O-CD 3.12Å; P162-R166 WeakPolarHBondContact O-CG 3.15Å; P162-R166 PolarHBondContact O-N 3.11Å; P162-R166 VanDerWaalsContact O-N 3.08Å |
| 163 | T | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 56.2 Ų | 56.2 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 175.3 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | M161 R166 F167 | M161-T163 PolarHBondContact O-N 3.34Å; M161-T163 VanDerWaalsContact O-N 3.16Å; T163-R166 PolarHBondContact O-N 3.27Å; T163-F167 WeakPolarHBondContact O-CB 3.47Å; T163-F167 PolarHBondContact O-N 3.19Å |
| 164 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.5 | -39.8 | 177.7 | -173.9 | -116.4 | 0 | 0 | 0 | 111.2 | I158 L159 M161 R166 F167 C168 L180 S181 L187 F190 | I158-Y164 HydrophobicContact CG2-CD1 3.95Å; I158-Y164 HydrophobicContact CG2-CD2 3.82Å; I158-Y164 HydrophobicContact CG2-CE1 4.33Å; I158-Y164 HydrophobicContact CG2-CE2 4.22Å; I158-Y164 HydrophobicContact CG2-CG 3.65Å; I158-Y164 WeakPolarHBondContact O-CB 3.35Å; L159-Y164 HydrophobicContact CD1-CD1 4.22Å; L159-Y164 HydrophobicContact CD1-CE1 3.77Å; L159-Y164 HydrophobicContact CG-CD1 4.32Å; L159-Y164 HydrophobicContact CG-CE1 4.08Å; M161-Y164 PolarHBondContact O-N 3.29Å; Y164-R166 PolarHBondContact O-N 3.15Å; Y164-F167 HydrophobicContact CD2-CD1 4.39Å; Y164-F167 HydrophobicContact CE2-CD1 4.29Å; Y164-F167 WeakPolarHBondContact O-CB 3.41Å; Y164-F167 PolarHBondContact O-N 3.32Å; Y164-C168 PolarHBondContact O-N 3.38Å; Y164-C168 PolarHBondContact O-SG 2.95Å; Y164-C168 VanDerWaalsContact O-SG 3.4Å; Y164-L180 HydrophobicContact CD1-CD1 4.12Å; Y164-L180 HydrophobicContact CE1-CB 4.31Å; Y164-S181 WeakPolarHBondContact CE1-O 3.42Å; Y164-S181 PolarHBondContact OH-O 3.43Å; Y164-L187 HydrophobicContact CE1-CD2 4.15Å; Y164-L187 HydrophobicContact CE2-CD2 4.21Å; Y164-F190 HydrophobicContact CD2-CB 3.64Å; Y164-F190 AromaticContact CD2-CD1 3.69Å; Y164-F190 HydrophobicContact CD2-CD1 3.69Å; Y164-F190 AromaticContact CD2-CD2 3.7Å; Y164-F190 HydrophobicContact CD2-CD2 3.7Å; Y164-F190 HydrophobicContact CD2-CE1 4.25Å; Y164-F190 HydrophobicContact CD2-CE2 4.25Å; Y164-F190 AromaticContact CD2-CG 3.39Å; Y164-F190 HydrophobicContact CD2-CG 3.39Å; Y164-F190 HydrophobicContact CE2-CB 3.61Å; Y164-F190 HydrophobicContact CE2-CD1 4.31Å; Y164-F190 AromaticContact CE2-CG 3.92Å; Y164-F190 HydrophobicContact CE2-CG 3.92Å; Y164-F190 HydrophobicContact CG-CG 4.47Å |
| 165 | K | 97.6 | Very high | 97 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -53.6 | -52.3 | 171.9 | 175.8 | 174.6 | 174 | -178.3 | 0 | 111.4 | M161 F167 C168 E169 L180 | M161-K165 PolarHBondContact O-N 3.05Å; M161-K165 VanDerWaalsContact O-N 3.16Å; K165-F167 VanDerWaalsContact C-N 3.32Å; K165-F167 PolarHBondContact O-N 3.24Å; K165-C168 PolarHBondContact O-N 3.46Å; K165-E169 WeakPolarHBondContact CE-OE1 3.49Å; K165-E169 IonicContact NZ-OE1 3.57Å; K165-E169 WeakPolarHBondContact O-CG 3.4Å; K165-E169 PolarHBondContact O-N 3.38Å; K165-L180 HydrophobicContact CB-CD1 4.21Å; K165-L180 HydrophobicContact CB-CD2 4.29Å; K165-L180 HydrophobicContact CG-CD2 4.2Å |
| 166 | R | 97.8 | Very high | 96.6 | Very high | 138 Ų | 138 | 67.6 Ų | 67.6 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.3 | -73.4 | -169.5 | -61.4 | -90.3 | 6.8 | 112.7 | P162 T163 Y164 E169 Q170 | P162-R166 WeakPolarHBondContact O-CG 3.15Å; P162-R166 PolarHBondContact O-N 3.11Å; P162-R166 VanDerWaalsContact O-N 3.08Å; T163-R166 PolarHBondContact O-N 3.27Å; Y164-R166 PolarHBondContact O-N 3.15Å; R166-E169 PolarHBondContact O-N 3.39Å; R166-Q170 WeakPolarHBondContact O-CB 3.31Å; R166-Q170 PolarHBondContact O-N 2.92Å |
| 167 | F | 97.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 71.7 Ų | 71.7 | 10% | 0.096 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 176.4 | -177.8 | -96.5 | 0 | 0 | 0 | 111.4 | T163 Y164 K165 E169 Q170 Y171 F173 R189 F190 P195 | T163-F167 WeakPolarHBondContact O-CB 3.47Å; T163-F167 PolarHBondContact O-N 3.19Å; Y164-F167 HydrophobicContact CD2-CD1 4.39Å; Y164-F167 HydrophobicContact CE2-CD1 4.29Å; Y164-F167 WeakPolarHBondContact O-CB 3.41Å; Y164-F167 PolarHBondContact O-N 3.32Å; K165-F167 VanDerWaalsContact C-N 3.32Å; K165-F167 PolarHBondContact O-N 3.24Å; F167-E169 PolarHBondContact O-N 2.96Å; F167-Q170 PolarHBondContact O-N 3.38Å; F167-Y171 HydrophobicContact CD1-CD2 4.42Å; F167-Y171 AromaticContact CD2-CD2 3.57Å; F167-Y171 HydrophobicContact CD2-CD2 3.57Å; F167-Y171 AromaticContact CD2-CE2 3.52Å; F167-Y171 HydrophobicContact CD2-CE2 3.52Å; F167-Y171 HydrophobicContact CE1-CD2 4.37Å; F167-Y171 AromaticContact CE2-CD2 3.5Å; F167-Y171 HydrophobicContact CE2-CD2 3.5Å; F167-Y171 VanDerWaalsContact CE2-CD2 3.5Å; F167-Y171 AromaticContact CE2-CE2 3.42Å; F167-Y171 HydrophobicContact CE2-CE2 3.42Å; F167-Y171 VanDerWaalsContact CE2-CE2 3.42Å; F167-Y171 HydrophobicContact CG-CD2 4.04Å; F167-Y171 HydrophobicContact CG-CE2 4.4Å; F167-Y171 AromaticContact CZ-CD2 3.92Å; F167-Y171 HydrophobicContact CZ-CD2 3.92Å; F167-Y171 HydrophobicContact CZ-CE2 4.24Å; F167-Y171 VanDerWaalsContact O-CD2 3.3Å; F167-Y171 WeakPolarHBondContact O-CD2 3.46Å; F167-Y171 PolarHBondContact O-N 2.88Å; F167-F173 AromaticContact CD1-CD2 3.96Å; F167-F173 HydrophobicContact CD1-CD2 3.96Å; F167-F173 HydrophobicContact CD1-CE2 4.26Å; F167-F173 AromaticContact CE1-CD2 3.55Å; F167-F173 HydrophobicContact CE1-CD2 3.55Å; F167-F173 AromaticContact CE1-CE2 3.46Å; F167-F173 HydrophobicContact CE1-CE2 3.46Å; F167-F173 VanDerWaalsContact CE1-CE2 3.46Å; F167-F173 HydrophobicContact CZ-CD2 4.38Å; F167-F173 AromaticContact CZ-CE2 3.86Å; F167-F173 HydrophobicContact CZ-CE2 3.86Å; F167-R189 HydrophobicContact CE1-CB 4.1Å; F167-R189 HydrophobicContact CZ-CB 3.94Å; F167-F190 HydrophobicContact CB-CD2 3.86Å; F167-F190 HydrophobicContact CB-CE2 4.38Å; F167-F190 HydrophobicContact CD1-CB 3.83Å; F167-F190 HydrophobicContact CD1-CD2 4.12Å; F167-F190 HydrophobicContact CD1-CG 4.44Å; F167-F190 HydrophobicContact CD2-CD2 4.13Å; F167-F190 HydrophobicContact CE1-CB 3.8Å; F167-F190 HydrophobicContact CG-CB 4.32Å; F167-F190 AromaticContact CG-CD2 3.78Å; F167-F190 HydrophobicContact CG-CD2 3.78Å; F167-F190 HydrophobicContact CZ-CB 4.27Å; F167-P195 HydrophobicContact CE2-CB 4.33Å; F167-P195 HydrophobicContact CZ-CB 4.09Å |
| 168 | C | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.6 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | Y164 K165 G172 F173 L174 L180 | Y164-C168 PolarHBondContact O-N 3.38Å; Y164-C168 PolarHBondContact O-SG 2.95Å; Y164-C168 VanDerWaalsContact O-SG 3.4Å; K165-C168 PolarHBondContact O-N 3.46Å; C168-G172 CarbonylContact O-C 3.55Å; C168-G172 WeakPolarHBondContact O-CA 3.44Å; C168-G172 PolarHBondContact O-N 2.63Å; C168-F173 HydrophobicContact CB-CB 4.1Å; C168-F173 WeakPolarHBondContact CB-O 3.19Å; C168-F173 PolarHBondContact O-N 2.74Å; C168-L174 HydrophobicContact CB-CD2 3.99Å; C168-L180 HydrophobicContact CB-CD2 3.93Å |
| 169 | E | 96.6 | Very high | 95.8 | Very high | 104 Ų | 104 | 81.2 Ų | 81.2 | 49% | 0.486 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.7 | -71.6 | 168.3 | 164.6 | 0 | 0 | 111.6 | K165 R166 F167 | K165-E169 WeakPolarHBondContact CE-OE1 3.49Å; K165-E169 IonicContact NZ-OE1 3.57Å; K165-E169 WeakPolarHBondContact O-CG 3.4Å; K165-E169 PolarHBondContact O-N 3.38Å; R166-E169 PolarHBondContact O-N 3.39Å; F167-E169 PolarHBondContact O-N 2.96Å |
| 170 | Q | 97.3 | Very high | 95.8 | Very high | 134 Ų | 134 | 81.2 Ų | 81.2 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | -178.8 | 179.6 | 179 | -18.3 | 0 | 0 | 112.8 | R166 F167 | R166-Q170 WeakPolarHBondContact O-CB 3.31Å; R166-Q170 PolarHBondContact O-N 2.92Å; F167-Q170 PolarHBondContact O-N 3.38Å |
| 171 | Y | 96.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 75.2 Ų | 75.2 | 38% | 0.384 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -104.5 | 7.7 | -174.6 | -63 | -69.4 | 0 | 0 | 0 | 113.9 | F167 F173 P195 | F167-Y171 HydrophobicContact CD1-CD2 4.42Å; F167-Y171 AromaticContact CD2-CD2 3.57Å; F167-Y171 HydrophobicContact CD2-CD2 3.57Å; F167-Y171 AromaticContact CD2-CE2 3.52Å; F167-Y171 HydrophobicContact CD2-CE2 3.52Å; F167-Y171 HydrophobicContact CE1-CD2 4.37Å; F167-Y171 AromaticContact CE2-CD2 3.5Å; F167-Y171 HydrophobicContact CE2-CD2 3.5Å; F167-Y171 VanDerWaalsContact CE2-CD2 3.5Å; F167-Y171 AromaticContact CE2-CE2 3.42Å; F167-Y171 HydrophobicContact CE2-CE2 3.42Å; F167-Y171 VanDerWaalsContact CE2-CE2 3.42Å; F167-Y171 HydrophobicContact CG-CD2 4.04Å; F167-Y171 HydrophobicContact CG-CE2 4.4Å; F167-Y171 AromaticContact CZ-CD2 3.92Å; F167-Y171 HydrophobicContact CZ-CD2 3.92Å; F167-Y171 HydrophobicContact CZ-CE2 4.24Å; F167-Y171 VanDerWaalsContact O-CD2 3.3Å; F167-Y171 WeakPolarHBondContact O-CD2 3.46Å; F167-Y171 PolarHBondContact O-N 2.88Å; Y171-F173 VanDerWaalsContact C-N 3.35Å; Y171-F173 HydrophobicContact CD2-CE2 4.44Å; Y171-F173 HydrophobicContact CG-CE2 4.16Å; Y171-F173 PolarHBondContact O-N 2.78Å; Y171-P195 HydrophobicContact CD1-CB 3.62Å; Y171-P195 HydrophobicContact CD1-CG 4.02Å; Y171-P195 HydrophobicContact CD2-CB 3.94Å; Y171-P195 HydrophobicContact CE1-CB 3.67Å; Y171-P195 HydrophobicContact CE1-CG 3.54Å; Y171-P195 HydrophobicContact CE2-CB 4Å; Y171-P195 HydrophobicContact CE2-CG 4.22Å; Y171-P195 HydrophobicContact CG-CB 3.76Å |
| 172 | G | 95.6 | Very high | 95.7 | Very high | 57 Ų | 57 | 75 Ų | 75 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C168 L174 | C168-G172 CarbonylContact O-C 3.55Å; C168-G172 WeakPolarHBondContact O-CA 3.44Å; C168-G172 PolarHBondContact O-N 2.63Å; G172-L174 PolarHBondContact O-N 2.65Å |
| 173 | F | 95.8 | Very high | 95.6 | Very high | 31 Ų | 31 | 73.9 Ų | 73.9 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | trans | -83.9 | 49.9 | 179.3 | -51.8 | -39.3 | 0 | 0 | 0 | 112.6 | F167 C168 Y171 S181 N186 P195 | F167-F173 AromaticContact CD1-CD2 3.96Å; F167-F173 HydrophobicContact CD1-CD2 3.96Å; F167-F173 HydrophobicContact CD1-CE2 4.26Å; F167-F173 AromaticContact CE1-CD2 3.55Å; F167-F173 HydrophobicContact CE1-CD2 3.55Å; F167-F173 AromaticContact CE1-CE2 3.46Å; F167-F173 HydrophobicContact CE1-CE2 3.46Å; F167-F173 VanDerWaalsContact CE1-CE2 3.46Å; F167-F173 HydrophobicContact CZ-CD2 4.38Å; F167-F173 AromaticContact CZ-CE2 3.86Å; F167-F173 HydrophobicContact CZ-CE2 3.86Å; C168-F173 HydrophobicContact CB-CB 4.1Å; C168-F173 WeakPolarHBondContact CB-O 3.19Å; C168-F173 PolarHBondContact O-N 2.74Å; Y171-F173 VanDerWaalsContact C-N 3.35Å; Y171-F173 HydrophobicContact CD2-CE2 4.44Å; Y171-F173 HydrophobicContact CG-CE2 4.16Å; Y171-F173 PolarHBondContact O-N 2.78Å; F173-S181 WeakPolarHBondContact O-CB 3.42Å; F173-S181 PolarHBondContact O-N 2.82Å; F173-N186 WeakPolarHBondContact CD1-OD1 3.43Å; F173-N186 WeakPolarHBondContact CG-OD1 3.36Å; F173-P195 HydrophobicContact CE2-CB 4.4Å; F173-P195 HydrophobicContact CZ-CB 4.43Å | ||
| 174 | L | 95.6 | Very high | 95.5 | Very high | 75 Ų | 75 | 71.9 Ų | 71.9 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -105.1 | 141.2 | 172 | -59 | 179 | 0 | 0 | 0 | 109.5 | C168 G172 K179 L180 | C168-L174 HydrophobicContact CB-CD2 3.99Å; G172-L174 PolarHBondContact O-N 2.65Å; L174-K179 CarbonylContact C-O 3.46Å; L174-K179 WeakPolarHBondContact CA-O 3.17Å; L174-L180 HydrophobicContact CD2-CD2 3.74Å |
| 175 | T | 92.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 37% | 0.368 | 38% | 0.382 | S | S | . | . | trans | -67.1 | 166.2 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | T177 G178 K179 | T175-T177 PolarHBondContact O-N 3.36Å; T175-T177 PolarHBondContact OG1-N 2.89Å; T175-T177 PolarHBondContact OG1-OG1 2.87Å; T175-T177 VanDerWaalsContact OG1-OG1 3.12Å; T175-G178 PolarHBondContact O-N 3.29Å; T175-K179 HydrophobicContact CG2-CB 4.43Å; T175-K179 WeakPolarHBondContact CG2-O 3.12Å; T175-K179 PolarHBondContact N-O 2.93Å; T175-K179 WeakPolarHBondContact OG1-CB 3.43Å; T175-K179 PolarHBondContact OG1-N 3Å; T175-K179 VanDerWaalsContact OG1-N 3.14Å; T175-K179 PolarHBondContact OG1-O 2.77Å | ||
| 176 | K | 89.5 | Confident | 95.3 | Very high | 224 Ų | 224 | 68.9 Ų | 68.9 | 97% | 0.974 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -21.9 | 174.6 | -62.6 | -175.8 | -179.4 | -179 | 0 | 114.3 | ||
| 177 | T | 92.1 | Very high | 95.3 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 66% | 0.656 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 8.7 | 178 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | T175 K179 | T175-T177 PolarHBondContact O-N 3.36Å; T175-T177 PolarHBondContact OG1-N 2.89Å; T175-T177 PolarHBondContact OG1-OG1 2.87Å; T175-T177 VanDerWaalsContact OG1-OG1 3.12Å; T177-K179 VanDerWaalsContact C-N 3.25Å; T177-K179 PolarHBondContact O-N 3.46Å; T177-K179 WeakPolarHBondContact OG1-CG 3.31Å |
| 178 | G | 91 | Very high | 95.3 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 75.9 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T175 | T175-G178 PolarHBondContact O-N 3.29Š|
| 179 | K | 94.9 | Very high | 95.3 | Very high | 146 Ų | 146 | 64.7 Ų | 64.7 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -77 | 149.2 | 175.1 | -60.1 | 178.7 | -177 | 177.7 | 0 | 110.6 | L174 T175 T177 S181 | L174-K179 CarbonylContact C-O 3.46Å; L174-K179 WeakPolarHBondContact CA-O 3.17Å; T175-K179 HydrophobicContact CG2-CB 4.43Å; T175-K179 WeakPolarHBondContact CG2-O 3.12Å; T175-K179 PolarHBondContact N-O 2.93Å; T175-K179 WeakPolarHBondContact OG1-CB 3.43Å; T175-K179 PolarHBondContact OG1-N 3Å; T175-K179 VanDerWaalsContact OG1-N 3.14Å; T175-K179 PolarHBondContact OG1-O 2.77Å; T177-K179 VanDerWaalsContact C-N 3.25Å; T177-K179 PolarHBondContact O-N 3.46Å; T177-K179 WeakPolarHBondContact OG1-CG 3.31Å; K179-S181 PolarHBondContact O-N 2.77Å |
| 180 | L | 96.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -55.7 | 135.2 | 171.8 | -55 | -177 | 0 | 0 | 0 | 110.1 | Y164 K165 C168 L174 | Y164-L180 HydrophobicContact CD1-CD1 4.12Å; Y164-L180 HydrophobicContact CE1-CB 4.31Å; K165-L180 HydrophobicContact CB-CD1 4.21Å; K165-L180 HydrophobicContact CB-CD2 4.29Å; K165-L180 HydrophobicContact CG-CD2 4.2Å; C168-L180 HydrophobicContact CB-CD2 3.93Å; L174-L180 HydrophobicContact CD2-CD2 3.74Å |
| 181 | S | 95.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.07 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 147.6 | 169.2 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | Y164 F173 K179 N186 | Y164-S181 WeakPolarHBondContact CE1-O 3.42Å; Y164-S181 PolarHBondContact OH-O 3.43Å; F173-S181 WeakPolarHBondContact O-CB 3.42Å; F173-S181 PolarHBondContact O-N 2.82Å; K179-S181 PolarHBondContact O-N 2.77Å; S181-N186 PolarHBondContact OG-ND2 2.85Å |
| 182 | A | 95.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 54 Ų | 54 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | trans | -134.3 | 14.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H116 L151 L159 L187 | H116-A182 PolarHBondContact CE1-O 2.85Å; H116-A182 PolarHBondContact NE2-O 3.37Å; L151-A182 HydrophobicContact CD1-CB 3.6Å; L151-A182 WeakPolarHBondContact CD1-O 3.48Å; L159-A182 HydrophobicContact CD1-CB 4.31Å; L159-A182 HydrophobicContact CD2-CB 3.95Å; A182-L187 WeakPolarHBondContact O-CD1 3.47Å | ||
| 183 | T | 95.4 | Very high | 95.4 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 39% | 0.393 | 31% | 0.314 | S | S | . | . | trans | -66.3 | 150.5 | 176.7 | 67.3 | 0 | 0 | 0 | 0 | 110 | E185 N186 L187 | T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 PolarHBondContact O-N 2.9Å; T183-N186 PolarHBondContact O-N 3.31Å; T183-N186 PolarHBondContact OG1-N 3.02Å; T183-N186 PolarHBondContact OG1-ND2 2.98Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.34Å; T183-L187 PolarHBondContact O-N 2.97Å | ||
| 184 | A | 95.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -53.7 | -48.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | H116 N186 L187 Y188 I209 I213 | H116-A184 PolarHBondContact NE2-N 3.11Å; A184-N186 PolarHBondContact O-N 2.8Å; A184-L187 PolarHBondContact O-N 2.84Å; A184-Y188 WeakPolarHBondContact O-CB 3.5Å; A184-Y188 PolarHBondContact O-N 2.86Å; A184-I209 HydrophobicContact CB-CG2 4.08Å; A184-I213 HydrophobicContact CB-CD1 3.91Å |
| 185 | E | 95.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 59 Ų | 59 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -50 | -53.5 | 175 | -161.3 | -166.2 | -161.1 | 0 | 0 | 113.5 | T183 L187 Y188 R189 F197 E199 | T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 PolarHBondContact O-N 2.9Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.04Å; E185-Y188 WeakPolarHBondContact O-CB 3.43Å; E185-Y188 PolarHBondContact O-N 3.27Å; E185-Y188 VanDerWaalsContact O-N 3.15Å; E185-R189 VanDerWaalsContact CD-NH1 3.34Å; E185-R189 WeakPolarHBondContact O-CG 3.37Å; E185-R189 PolarHBondContact O-N 2.78Å; E185-R189 IonicContact OE1-CZ 3.85Å; E185-R189 VanDerWaalsContact OE1-CZ 3.31Å; E185-R189 IonicContact OE1-NH1 2.79Å; E185-R189 IonicContact OE1-NH2 2.86Å; E185-R189 PolarHBondContact OE1-NH2 3.27Å; E185-R189 IonicContact OE2-CZ 3.5Å; E185-R189 IonicContact OE2-NH1 3.31Å; E185-R189 PolarHBondContact OE2-NH1 3.14Å; E185-R189 IonicContact OE2-NH2 3.25Å; E185-R189 PolarHBondContact OE2-NH2 3.23Å; E185-F197 HydrophobicContact CG-CD1 4.38Å; E185-E199 HydrophobicContact CB-CG 4.29Å; E185-E199 WeakPolarHBondContact CB-OE2 3.42Å; E185-E199 HydrophobicContact CG-CB 4.35Å; E185-E199 HydrophobicContact CG-CG 3.9Å |
| 186 | N | 96.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.8 | -29.9 | -175.8 | -73.3 | -50.2 | 0 | 0 | 0 | 112.6 | F173 S181 T183 A184 Y188 R189 F190 | F173-N186 WeakPolarHBondContact CD1-OD1 3.43Å; F173-N186 WeakPolarHBondContact CG-OD1 3.36Å; S181-N186 PolarHBondContact OG-ND2 2.85Å; T183-N186 PolarHBondContact O-N 3.31Å; T183-N186 PolarHBondContact OG1-N 3.02Å; T183-N186 PolarHBondContact OG1-ND2 2.98Å; A184-N186 PolarHBondContact O-N 2.8Å; N186-Y188 VanDerWaalsContact C-N 3.35Å; N186-R189 PolarHBondContact OD1-NH1 3.03Å; N186-F190 PolarHBondContact O-N 3.5Å |
| 187 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 171 | -67 | 168.3 | 0 | 0 | 0 | 110.3 | I158 L159 Y164 A182 T183 A184 E185 F190 I191 I213 | I158-L187 HydrophobicContact CB-CD2 4.09Å; I158-L187 HydrophobicContact CD1-CD2 4.03Å; I158-L187 HydrophobicContact CG2-CD2 3.67Å; L159-L187 HydrophobicContact CD1-CD2 3.81Å; Y164-L187 HydrophobicContact CE1-CD2 4.15Å; Y164-L187 HydrophobicContact CE2-CD2 4.21Å; A182-L187 WeakPolarHBondContact O-CD1 3.47Å; T183-L187 VanDerWaalsContact O-CG 3.29Å; T183-L187 WeakPolarHBondContact O-CG 3.34Å; T183-L187 PolarHBondContact O-N 2.97Å; A184-L187 PolarHBondContact O-N 2.84Å; E185-L187 VanDerWaalsContact C-N 3.34Å; E185-L187 PolarHBondContact O-N 3.04Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.26Å; L187-I191 VanDerWaalsContact O-CG1 3.24Å; L187-I191 WeakPolarHBondContact O-CG1 3.17Å; L187-I191 PolarHBondContact O-N 2.86Å; L187-I213 HydrophobicContact CB-CD1 3.84Å; L187-I213 HydrophobicContact CB-CG1 4Å; L187-I213 HydrophobicContact CD1-CD1 4.1Å; L187-I213 HydrophobicContact CD1-CG2 4.26Å |
| 188 | Y | 97.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -45.4 | 178.1 | -168.7 | -105.5 | 0 | 0 | 0 | 112.7 | A184 E185 N186 F190 I191 T192 F197 I209 E212 | A184-Y188 WeakPolarHBondContact O-CB 3.5Å; A184-Y188 PolarHBondContact O-N 2.86Å; E185-Y188 WeakPolarHBondContact O-CB 3.43Å; E185-Y188 PolarHBondContact O-N 3.27Å; E185-Y188 VanDerWaalsContact O-N 3.15Å; N186-Y188 VanDerWaalsContact C-N 3.35Å; Y188-F190 PolarHBondContact O-N 3.27Å; Y188-I191 PolarHBondContact O-N 3.43Å; Y188-T192 HydrophobicContact CD1-CG2 3.99Å; Y188-T192 HydrophobicContact CD2-CG2 4.22Å; Y188-T192 HydrophobicContact CE1-CG2 3.57Å; Y188-T192 HydrophobicContact CE2-CG2 3.8Å; Y188-T192 HydrophobicContact CG-CG2 4.31Å; Y188-T192 VanDerWaalsContact CZ-CG2 3.46Å; Y188-T192 PolarHBondContact O-N 3.18Å; Y188-T192 PolarHBondContact O-OG1 2.77Å; Y188-F197 AromaticContact CD1-CD1 3.58Å; Y188-F197 HydrophobicContact CD1-CD1 3.58Å; Y188-F197 HydrophobicContact CD1-CD2 4.25Å; Y188-F197 AromaticContact CD1-CE1 3.54Å; Y188-F197 HydrophobicContact CD1-CE1 3.54Å; Y188-F197 HydrophobicContact CD1-CE2 4.22Å; Y188-F197 AromaticContact CD1-CG 3.94Å; Y188-F197 HydrophobicContact CD1-CG 3.94Å; Y188-F197 AromaticContact CD1-CZ 3.88Å; Y188-F197 HydrophobicContact CD1-CZ 3.88Å; Y188-F197 HydrophobicContact CE1-CD1 4.1Å; Y188-F197 AromaticContact CE1-CD2 3.94Å; Y188-F197 HydrophobicContact CE1-CD2 3.94Å; Y188-F197 AromaticContact CE1-CE1 3.93Å; Y188-F197 HydrophobicContact CE1-CE1 3.93Å; Y188-F197 AromaticContact CE1-CE2 3.77Å; Y188-F197 HydrophobicContact CE1-CE2 3.77Å; Y188-F197 HydrophobicContact CE1-CG 4.1Å; Y188-F197 AromaticContact CE1-CZ 3.76Å; Y188-F197 HydrophobicContact CE1-CZ 3.76Å; Y188-I209 HydrophobicContact CD1-CG1 4.18Å; Y188-I209 HydrophobicContact CD2-CB 4.09Å; Y188-I209 HydrophobicContact CD2-CG1 4.05Å; Y188-I209 HydrophobicContact CD2-CG2 3.86Å; Y188-I209 HydrophobicContact CE1-CG1 4.33Å; Y188-I209 HydrophobicContact CE2-CG1 4.21Å; Y188-I209 HydrophobicContact CG-CB 4.33Å; Y188-I209 HydrophobicContact CG-CG1 4.03Å; Y188-I209 HydrophobicContact CG-CG2 3.86Å; Y188-E212 HydrophobicContact CD2-CB 4.07Å; Y188-E212 HydrophobicContact CE2-CB 3.85Å; Y188-E212 HydrophobicContact CE2-CG 3.91Å |
| 189 | R | 97.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -49.9 | -43.7 | 171.5 | -74.6 | 178.5 | 171.3 | 136.2 | 5 | 111.8 | F167 E185 N186 T192 K193 D194 P195 F197 | F167-R189 HydrophobicContact CE1-CB 4.1Å; F167-R189 HydrophobicContact CZ-CB 3.94Å; E185-R189 VanDerWaalsContact CD-NH1 3.34Å; E185-R189 WeakPolarHBondContact O-CG 3.37Å; E185-R189 PolarHBondContact O-N 2.78Å; E185-R189 IonicContact OE1-CZ 3.85Å; E185-R189 VanDerWaalsContact OE1-CZ 3.31Å; E185-R189 IonicContact OE1-NH1 2.79Å; E185-R189 IonicContact OE1-NH2 2.86Å; E185-R189 PolarHBondContact OE1-NH2 3.27Å; E185-R189 IonicContact OE2-CZ 3.5Å; E185-R189 IonicContact OE2-NH1 3.31Å; E185-R189 PolarHBondContact OE2-NH1 3.14Å; E185-R189 IonicContact OE2-NH2 3.25Å; E185-R189 PolarHBondContact OE2-NH2 3.23Å; N186-R189 PolarHBondContact OD1-NH1 3.03Å; R189-T192 PolarHBondContact O-OG1 3.21Å; R189-K193 CarbonylContact O-C 3.57Å; R189-K193 VanDerWaalsContact O-CA 3.32Å; R189-K193 WeakPolarHBondContact O-CA 3.47Å; R189-K193 PolarHBondContact O-N 3.45Å; R189-D194 VanDerWaalsContact CA-O 3.27Å; R189-D194 WeakPolarHBondContact CA-O 3.32Å; R189-D194 VanDerWaalsContact CB-O 3.3Å; R189-D194 WeakPolarHBondContact CB-O 3.42Å; R189-D194 VanDerWaalsContact CG-O 3.29Å; R189-D194 WeakPolarHBondContact CG-O 3.2Å; R189-D194 PolarHBondContact O-N 3.48Å; R189-P195 WeakPolarHBondContact CD-O 3.45Å; R189-P195 PolarHBondContact NE-O 3.35Å; R189-F197 HydrophobicContact CG-CB 4.1Å; R189-F197 PolarHBondContact NE-O 3.22Å; R189-F197 PolarHBondContact NH2-O 3.36Å |
| 190 | F | 98.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.6 | 170 | -106.5 | 0 | 0 | 0 | 113.1 | I158 M161 Y164 F167 N186 L187 Y188 K193 Y216 | I158-F190 HydrophobicContact CG2-CD1 3.94Å; I158-F190 HydrophobicContact CG2-CE1 4.01Å; M161-F190 HydrophobicContact CE-CZ 4.37Å; M161-F190 HydrophobicContact SD-CE1 4.35Å; M161-F190 HydrophobicContact SD-CZ 4.5Å; Y164-F190 HydrophobicContact CD2-CB 3.64Å; Y164-F190 AromaticContact CD2-CD1 3.69Å; Y164-F190 HydrophobicContact CD2-CD1 3.69Å; Y164-F190 AromaticContact CD2-CD2 3.7Å; Y164-F190 HydrophobicContact CD2-CD2 3.7Å; Y164-F190 HydrophobicContact CD2-CE1 4.25Å; Y164-F190 HydrophobicContact CD2-CE2 4.25Å; Y164-F190 AromaticContact CD2-CG 3.39Å; Y164-F190 HydrophobicContact CD2-CG 3.39Å; Y164-F190 HydrophobicContact CE2-CB 3.61Å; Y164-F190 HydrophobicContact CE2-CD1 4.31Å; Y164-F190 AromaticContact CE2-CG 3.92Å; Y164-F190 HydrophobicContact CE2-CG 3.92Å; Y164-F190 HydrophobicContact CG-CG 4.47Å; F167-F190 HydrophobicContact CB-CD2 3.86Å; F167-F190 HydrophobicContact CB-CE2 4.38Å; F167-F190 HydrophobicContact CD1-CB 3.83Å; F167-F190 HydrophobicContact CD1-CD2 4.12Å; F167-F190 HydrophobicContact CD1-CG 4.44Å; F167-F190 HydrophobicContact CD2-CD2 4.13Å; F167-F190 HydrophobicContact CE1-CB 3.8Å; F167-F190 HydrophobicContact CG-CB 4.32Å; F167-F190 AromaticContact CG-CD2 3.78Å; F167-F190 HydrophobicContact CG-CD2 3.78Å; F167-F190 HydrophobicContact CZ-CB 4.27Å; N186-F190 PolarHBondContact O-N 3.5Å; L187-F190 WeakPolarHBondContact O-CB 3.41Å; L187-F190 PolarHBondContact O-N 3.26Å; Y188-F190 PolarHBondContact O-N 3.27Å; F190-K193 PolarHBondContact O-N 2.94Å; F190-Y216 HydrophobicContact CE1-CE1 4.23Å; F190-Y216 AromaticContact CE1-CZ 3.93Å; F190-Y216 WeakPolarHBondContact CE1-OH 3.43Å |
| 191 | I | 97.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | -178.2 | -70.6 | 165.2 | 0 | 0 | 0 | 111.1 | I158 L187 Y188 K193 I213 Y216 | I158-I191 HydrophobicContact CD1-CD1 4.23Å; L187-I191 VanDerWaalsContact O-CG1 3.24Å; L187-I191 WeakPolarHBondContact O-CG1 3.17Å; L187-I191 PolarHBondContact O-N 2.86Å; Y188-I191 PolarHBondContact O-N 3.43Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-I213 HydrophobicContact CD1-CB 4.29Å; I191-I213 HydrophobicContact CD1-CG1 3.86Å; I191-Y216 HydrophobicContact CB-CD2 4.28Å; I191-Y216 HydrophobicContact CD1-CD2 4.37Å; I191-Y216 HydrophobicContact CD1-CG 4.01Å; I191-Y216 HydrophobicContact CG1-CD1 4.33Å; I191-Y216 HydrophobicContact CG1-CD2 3.71Å; I191-Y216 HydrophobicContact CG1-CE2 4.19Å; I191-Y216 HydrophobicContact CG1-CG 3.77Å; I191-Y216 HydrophobicContact CG2-CD2 3.88Å |
| 192 | T | 96.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81.1 | -14.3 | 179.8 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | Y188 R189 D194 | Y188-T192 HydrophobicContact CD1-CG2 3.99Å; Y188-T192 HydrophobicContact CD2-CG2 4.22Å; Y188-T192 HydrophobicContact CE1-CG2 3.57Å; Y188-T192 HydrophobicContact CE2-CG2 3.8Å; Y188-T192 HydrophobicContact CG-CG2 4.31Å; Y188-T192 VanDerWaalsContact CZ-CG2 3.46Å; Y188-T192 PolarHBondContact O-N 3.18Å; Y188-T192 PolarHBondContact O-OG1 2.77Å; R189-T192 PolarHBondContact O-OG1 3.21Å; T192-D194 PolarHBondContact O-N 2.68Å; T192-D194 PolarHBondContact OG1-N 2.94Å |
| 193 | K | 95.9 | Very high | 89.8 | Confident | 181 Ų | 181 | 55 Ų | 55 | 79% | 0.787 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 27.6 | -171.1 | -50.7 | 175.9 | -177.8 | 174.4 | 0 | 112.9 | R189 F190 I191 P195 | R189-K193 CarbonylContact O-C 3.57Å; R189-K193 VanDerWaalsContact O-CA 3.32Å; R189-K193 WeakPolarHBondContact O-CA 3.47Å; R189-K193 PolarHBondContact O-N 3.45Å; F190-K193 PolarHBondContact O-N 2.94Å; I191-K193 VanDerWaalsContact C-N 3.33Å; K193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 194 | D | 96 | Very high | 89.2 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | trans | -111.6 | 95.1 | 173.5 | -179 | 2 | 0 | 0 | 0 | 109.3 | R189 T192 T196 F197 | R189-D194 VanDerWaalsContact CA-O 3.27Å; R189-D194 WeakPolarHBondContact CA-O 3.32Å; R189-D194 VanDerWaalsContact CB-O 3.3Å; R189-D194 WeakPolarHBondContact CB-O 3.42Å; R189-D194 VanDerWaalsContact CG-O 3.29Å; R189-D194 WeakPolarHBondContact CG-O 3.2Å; R189-D194 PolarHBondContact O-N 3.48Å; T192-D194 PolarHBondContact O-N 2.68Å; T192-D194 PolarHBondContact OG1-N 2.94Å; D194-T196 PolarHBondContact O-N 2.85Å; D194-T196 WeakPolarHBondContact OD1-CA 3.38Å; D194-T196 WeakPolarHBondContact OD1-CB 3.42Å; D194-T196 PolarHBondContact OD1-N 3.29Å; D194-T196 PolarHBondContact OD1-OG1 3.23Å; D194-F197 HydrophobicContact CB-CB 4.37Å; D194-F197 PolarHBondContact OD1-N 2.86Å | ||
| 195 | P | 93.3 | Very high | 88.7 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12 | 177.7 | 31.7 | -36.8 | 0 | 0 | 0 | 113 | F167 Y171 F173 R189 K193 | F167-P195 HydrophobicContact CE2-CB 4.33Å; F167-P195 HydrophobicContact CZ-CB 4.09Å; Y171-P195 HydrophobicContact CD1-CB 3.62Å; Y171-P195 HydrophobicContact CD1-CG 4.02Å; Y171-P195 HydrophobicContact CD2-CB 3.94Å; Y171-P195 HydrophobicContact CE1-CB 3.67Å; Y171-P195 HydrophobicContact CE1-CG 3.54Å; Y171-P195 HydrophobicContact CE2-CB 4Å; Y171-P195 HydrophobicContact CE2-CG 4.22Å; Y171-P195 HydrophobicContact CG-CB 3.76Å; F173-P195 HydrophobicContact CE2-CB 4.4Å; F173-P195 HydrophobicContact CZ-CB 4.43Å; R189-P195 WeakPolarHBondContact CD-O 3.45Å; R189-P195 PolarHBondContact NE-O 3.35Å; K193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 196 | T | 93.5 | Very high | 88.4 | Confident | 110 Ų | 110 | 54.3 Ų | 54.3 | 68% | 0.675 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -10.8 | -176.6 | 66.8 | 0 | 0 | 0 | 0 | 113.6 | D194 Q198 | D194-T196 PolarHBondContact O-N 2.85Å; D194-T196 WeakPolarHBondContact OD1-CA 3.38Å; D194-T196 WeakPolarHBondContact OD1-CB 3.42Å; D194-T196 PolarHBondContact OD1-N 3.29Å; D194-T196 PolarHBondContact OD1-OG1 3.23Å; T196-Q198 PolarHBondContact O-N 3.06Å |
| 197 | F | 93.1 | Very high | 88.3 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 23% | 0.228 | 26% | 0.262 | C | S | . | . | trans | -50.1 | 133.8 | 175.3 | 176.6 | -95.5 | 0 | 0 | 0 | 110.9 | E185 Y188 R189 D194 E199 I209 | E185-F197 HydrophobicContact CG-CD1 4.38Å; Y188-F197 AromaticContact CD1-CD1 3.58Å; Y188-F197 HydrophobicContact CD1-CD1 3.58Å; Y188-F197 HydrophobicContact CD1-CD2 4.25Å; Y188-F197 AromaticContact CD1-CE1 3.54Å; Y188-F197 HydrophobicContact CD1-CE1 3.54Å; Y188-F197 HydrophobicContact CD1-CE2 4.22Å; Y188-F197 AromaticContact CD1-CG 3.94Å; Y188-F197 HydrophobicContact CD1-CG 3.94Å; Y188-F197 AromaticContact CD1-CZ 3.88Å; Y188-F197 HydrophobicContact CD1-CZ 3.88Å; Y188-F197 HydrophobicContact CE1-CD1 4.1Å; Y188-F197 AromaticContact CE1-CD2 3.94Å; Y188-F197 HydrophobicContact CE1-CD2 3.94Å; Y188-F197 AromaticContact CE1-CE1 3.93Å; Y188-F197 HydrophobicContact CE1-CE1 3.93Å; Y188-F197 AromaticContact CE1-CE2 3.77Å; Y188-F197 HydrophobicContact CE1-CE2 3.77Å; Y188-F197 HydrophobicContact CE1-CG 4.1Å; Y188-F197 AromaticContact CE1-CZ 3.76Å; Y188-F197 HydrophobicContact CE1-CZ 3.76Å; R189-F197 HydrophobicContact CG-CB 4.1Å; R189-F197 PolarHBondContact NE-O 3.22Å; R189-F197 PolarHBondContact NH2-O 3.36Å; D194-F197 HydrophobicContact CB-CB 4.37Å; D194-F197 PolarHBondContact OD1-N 2.86Å; F197-E199 HydrophobicContact CE1-CB 4.19Å; F197-I209 HydrophobicContact CE1-CD1 3.72Å; F197-I209 HydrophobicContact CE1-CG1 4.38Å; F197-I209 HydrophobicContact CZ-CD1 3.76Å; F197-I209 HydrophobicContact CZ-CG1 4.25Å | ||
| 198 | Q | 87.9 | Confident | 88.1 | Confident | 151 Ų | 151 | 58.2 Ų | 58.2 | 71% | 0.706 | 28% | 0.28 | S | S | * | . | trans | -124.1 | 129.7 | 173.3 | -70.7 | -178.5 | -13.1 | 0 | 0 | 108.2 | T196 | T196-Q198 PolarHBondContact O-N 3.06Š| ||
| 199 | E | 82.9 | Confident | 87.9 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | trans | -70.8 | 130.9 | 175.2 | 53.9 | -171 | 179.9 | 0 | 0 | 110.6 | E185 F197 H201 I209 | E185-E199 HydrophobicContact CB-CG 4.29Å; E185-E199 WeakPolarHBondContact CB-OE2 3.42Å; E185-E199 HydrophobicContact CG-CB 4.35Å; E185-E199 HydrophobicContact CG-CG 3.9Å; F197-E199 HydrophobicContact CE1-CB 4.19Å; E199-H201 VanDerWaalsContact CD-NE2 3.33Å; E199-H201 VanDerWaalsContact CG-CE1 3.46Å; E199-H201 WeakPolarHBondContact CG-CE1 3.43Å; E199-H201 VanDerWaalsContact CG-NE2 3.31Å; E199-H201 WeakPolarHBondContact CG-NE2 3.44Å; E199-H201 IonicContact OE1-CE1 3.8Å; E199-H201 PolarHBondContact OE1-CE1 3.08Å; E199-H201 IonicContact OE1-NE2 3.82Å; E199-H201 PolarHBondContact OE1-NE2 3.22Å; E199-H201 VanDerWaalsContact OE1-NE2 3.11Å; E199-H201 IonicContact OE2-CE1 3.04Å; E199-I209 HydrophobicContact CB-CD1 4.16Å | ||
| 200 | E | 77 | Confident | 87.9 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | trans | -80 | -11.7 | 176.7 | -65.5 | -170.7 | 173.6 | 0 | 0 | 112 | K76 K202 | K76-E200 PolarHBondContact NZ-O 2.82Å; E200-K202 HydrophobicContact CB-CG 4.27Å; E200-K202 WeakPolarHBondContact OE2-CE 3.42Å; E200-K202 IonicContact OE2-NZ 3.7Å; E200-K202 PolarHBondContact OE2-NZ 2.79Å | ||
| 201 | H | 68.8 | Low | 87.8 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | trans | 48.8 | 59.8 | -169.9 | -60 | -74.6 | 0 | 0 | 0 | 112.5 | E16 Y73 E199 D206 | E16-H201 WeakPolarHBondContact OE1-CB 3.44Å; E16-H201 IonicContact OE1-CG 3.79Å; E16-H201 IonicContact OE1-ND1 3.43Å; Y73-H201 HydrophobicContact CD2-CB 4.38Å; Y73-H201 HydrophobicContact CE1-CB 4.39Å; Y73-H201 AromaticContact CE1-CD2 3.58Å; Y73-H201 HydrophobicContact CE2-CB 3.78Å; Y73-H201 AromaticContact CE2-CG 3.81Å; Y73-H201 AromaticContact CZ-CD2 3.27Å; Y73-H201 AromaticContact CZ-CE1 3.97Å; Y73-H201 AromaticContact CZ-CG 3.41Å; Y73-H201 VanDerWaalsContact CZ-CG 3.41Å; Y73-H201 AromaticContact CZ-ND1 3.88Å; Y73-H201 AromaticContact CZ-NE2 3.63Å; Y73-H201 PolarHBondContact OH-CD2 3.4Å; Y73-H201 PolarHBondContact OH-CE1 2.87Å; Y73-H201 VanDerWaalsContact OH-CG 3.25Å; Y73-H201 PolarHBondContact OH-ND1 3.1Å; Y73-H201 PolarHBondContact OH-NE2 2.96Å; E199-H201 VanDerWaalsContact CD-NE2 3.33Å; E199-H201 VanDerWaalsContact CG-CE1 3.46Å; E199-H201 WeakPolarHBondContact CG-CE1 3.43Å; E199-H201 VanDerWaalsContact CG-NE2 3.31Å; E199-H201 WeakPolarHBondContact CG-NE2 3.44Å; E199-H201 IonicContact OE1-CE1 3.8Å; E199-H201 PolarHBondContact OE1-CE1 3.08Å; E199-H201 IonicContact OE1-NE2 3.82Å; E199-H201 PolarHBondContact OE1-NE2 3.22Å; E199-H201 VanDerWaalsContact OE1-NE2 3.11Å; E199-H201 IonicContact OE2-CE1 3.04Å; H201-D206 IonicContact CG-OD2 3.84Å; H201-D206 IonicContact ND1-OD2 3.42Å; H201-D206 PolarHBondContact ND1-OD2 3.28Å | ||
| 202 | K | 68.8 | Low | 87.8 | Confident | 76 Ų | 76 | 57.3 Ų | 57.3 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | trans | -101 | 129.8 | 163.8 | -62.6 | 177.9 | 173.3 | 156.9 | 0 | 105.6 | E200 L204 D205 D206 | E200-K202 HydrophobicContact CB-CG 4.27Å; E200-K202 WeakPolarHBondContact OE2-CE 3.42Å; E200-K202 IonicContact OE2-NZ 3.7Å; E200-K202 PolarHBondContact OE2-NZ 2.79Å; K202-L204 PolarHBondContact O-N 3.2Å; K202-D205 HydrophobicContact CB-CB 4.23Å; K202-D205 WeakPolarHBondContact CB-OD2 3.4Å; K202-D205 WeakPolarHBondContact CD-OD2 3.26Å; K202-D205 PolarHBondContact O-N 2.69Å; K202-D206 PolarHBondContact O-N 3.47Å | ||
| 203 | G | 61.2 | Low | 87.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.9 | -26.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V207 | G203-V207 WeakPolarHBondContact O-CG2 3.26Å |
| 204 | L | 82.4 | Confident | 87.9 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 17% | 0.173 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -86.5 | -26.7 | 174.5 | -170.1 | 62.4 | 0 | 0 | 0 | 114.3 | E52 K202 V207 R208 | E52-L204 HydrophobicContact CB-CD1 3.81Å; E52-L204 HydrophobicContact CB-CD2 4.03Å; E52-L204 HydrophobicContact CG-CD1 4.03Å; E52-L204 HydrophobicContact CG-CD2 4.49Å; K202-L204 PolarHBondContact O-N 3.2Å; L204-V207 HydrophobicContact CD1-CB 4.44Å; L204-V207 HydrophobicContact CD1-CG1 4.42Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; L204-R208 WeakPolarHBondContact O-CG 3.46Å; L204-R208 PolarHBondContact O-N 3.44Å |
| 205 | D | 85.8 | Confident | 88 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.8 | -37 | 179.3 | -69.7 | -26.6 | 0 | 0 | 0 | 110.8 | K202 R208 I209 | K202-D205 HydrophobicContact CB-CB 4.23Å; K202-D205 WeakPolarHBondContact CB-OD2 3.4Å; K202-D205 WeakPolarHBondContact CD-OD2 3.26Å; K202-D205 PolarHBondContact O-N 2.69Å; D205-R208 WeakPolarHBondContact O-CB 3.49Å; D205-R208 PolarHBondContact O-N 3.39Å; D205-R208 IonicContact OD1-NH1 3.44Å; D205-R208 PolarHBondContact OD1-NH1 3.22Å; D205-I209 WeakPolarHBondContact O-CG1 3.17Å; D205-I209 PolarHBondContact O-N 2.79Å |
| 206 | D | 88.7 | Confident | 88.2 | Confident | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 177.3 | -67.6 | -2.2 | 0 | 0 | 0 | 110.8 | D14 H201 K202 R208 I209 E210 | D14-D206 HydrophobicContact CB-CB 4.26Å; H201-D206 IonicContact CG-OD2 3.84Å; H201-D206 IonicContact ND1-OD2 3.42Å; H201-D206 PolarHBondContact ND1-OD2 3.28Å; K202-D206 PolarHBondContact O-N 3.47Å; D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 2.97Å; D206-I209 WeakPolarHBondContact O-CB 3.25Å; D206-I209 PolarHBondContact O-N 3.12Å; D206-I209 VanDerWaalsContact O-N 3.16Å; D206-E210 WeakPolarHBondContact O-CG 3.43Å; D206-E210 PolarHBondContact O-N 2.92Å |
| 207 | V | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55 | -40.5 | 168.3 | 168.4 | 0 | 0 | 0 | 0 | 112 | L12 D14 C41 G203 L204 R211 | L12-V207 HydrophobicContact CD2-CB 4.06Å; L12-V207 HydrophobicContact CD2-CG1 3.71Å; L12-V207 HydrophobicContact CD2-CG2 4.23Å; L12-V207 WeakPolarHBondContact CD2-O 3.3Å; D14-V207 HydrophobicContact CB-CG2 3.83Å; C41-V207 HydrophobicContact CB-CG1 3.74Å; C41-V207 VanDerWaalsContact SG-CG1 3.51Å; G203-V207 WeakPolarHBondContact O-CG2 3.26Å; L204-V207 HydrophobicContact CD1-CB 4.44Å; L204-V207 HydrophobicContact CD1-CG1 4.42Å; L204-V207 WeakPolarHBondContact O-CB 3.41Å; V207-R211 WeakPolarHBondContact O-CB 3.23Å; V207-R211 PolarHBondContact O-N 3.09Å |
| 208 | R | 93.2 | Very high | 88.6 | Confident | 97 Ų | 97 | 39 Ų | 39 | 37% | 0.366 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -71.6 | -37.7 | 179.3 | -69.6 | 168.9 | 177.5 | 161.8 | -4.4 | 112.1 | E52 L204 D205 D206 R211 E212 | E52-R208 IonicContact OE1-CZ 3.63Å; E52-R208 IonicContact OE1-NE 3.68Å; E52-R208 PolarHBondContact OE1-NE 3Å; E52-R208 IonicContact OE1-NH2 2.86Å; E52-R208 PolarHBondContact OE1-NH2 3.02Å; E52-R208 IonicContact OE2-CZ 2.63Å; E52-R208 IonicContact OE2-NE 3.72Å; E52-R208 IonicContact OE2-NH2 3.64Å; E52-R208 PolarHBondContact OE2-NH2 3.04Å; L204-R208 WeakPolarHBondContact O-CG 3.46Å; L204-R208 PolarHBondContact O-N 3.44Å; D205-R208 WeakPolarHBondContact O-CB 3.49Å; D205-R208 PolarHBondContact O-N 3.39Å; D205-R208 IonicContact OD1-NH1 3.44Å; D205-R208 PolarHBondContact OD1-NH1 3.22Å; D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 2.97Å; R208-R211 WeakPolarHBondContact O-CB 3.19Å; R208-R211 PolarHBondContact O-N 3.36Å; R208-E212 PolarHBondContact O-N 3.23Å; R208-E212 VanDerWaalsContact O-N 3.16Å |
| 209 | I | 95.1 | Very high | 89 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -52.9 | 172.4 | -72 | 169.1 | 0 | 0 | 0 | 110.1 | A184 Y188 F197 E199 D205 D206 R211 E212 I213 | A184-I209 HydrophobicContact CB-CG2 4.08Å; Y188-I209 HydrophobicContact CD1-CG1 4.18Å; Y188-I209 HydrophobicContact CD2-CB 4.09Å; Y188-I209 HydrophobicContact CD2-CG1 4.05Å; Y188-I209 HydrophobicContact CD2-CG2 3.86Å; Y188-I209 HydrophobicContact CE1-CG1 4.33Å; Y188-I209 HydrophobicContact CE2-CG1 4.21Å; Y188-I209 HydrophobicContact CG-CB 4.33Å; Y188-I209 HydrophobicContact CG-CG1 4.03Å; Y188-I209 HydrophobicContact CG-CG2 3.86Å; F197-I209 HydrophobicContact CE1-CD1 3.72Å; F197-I209 HydrophobicContact CE1-CG1 4.38Å; F197-I209 HydrophobicContact CZ-CD1 3.76Å; F197-I209 HydrophobicContact CZ-CG1 4.25Å; E199-I209 HydrophobicContact CB-CD1 4.16Å; D205-I209 WeakPolarHBondContact O-CG1 3.17Å; D205-I209 PolarHBondContact O-N 2.79Å; D206-I209 WeakPolarHBondContact O-CB 3.25Å; D206-I209 PolarHBondContact O-N 3.12Å; D206-I209 VanDerWaalsContact O-N 3.16Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 3.47Å; I209-E212 PolarHBondContact O-N 2.99Å; I209-E212 VanDerWaalsContact O-N 3.08Å; I209-I213 HydrophobicContact CG2-CD1 4.13Å; I209-I213 WeakPolarHBondContact O-CG1 3.25Å; I209-I213 PolarHBondContact O-N 3.44Å; I209-I213 VanDerWaalsContact O-N 3.1Å |
| 210 | E | 96 | Very high | 89.6 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | -178.2 | -70.9 | -166.5 | -179 | 0 | 0 | 113.1 | L12 A115 H116 D206 E212 I213 M214 | L12-E210 HydrophobicContact CD1-CB 4.05Å; L12-E210 HydrophobicContact CD2-CB 3.72Å; L12-E210 HydrophobicContact CG-CB 4.42Å; A115-E210 VanDerWaalsContact C-OE2 3.28Å; A115-E210 VanDerWaalsContact CA-OE2 3.28Å; A115-E210 WeakPolarHBondContact CA-OE2 3.37Å; H116-E210 HydrophobicContact CB-CG 3.74Å; H116-E210 WeakPolarHBondContact CB-OE1 3.4Å; H116-E210 PolarHBondContact N-OE1 3.01Å; H116-E210 VanDerWaalsContact N-OE1 3.11Å; H116-E210 PolarHBondContact N-OE2 3.1Å; D206-E210 WeakPolarHBondContact O-CG 3.43Å; D206-E210 PolarHBondContact O-N 2.92Å; E210-E212 VanDerWaalsContact C-N 3.35Å; E210-E212 PolarHBondContact O-N 3.47Å; E210-I213 WeakPolarHBondContact O-CB 3.34Å; E210-I213 PolarHBondContact O-N 2.63Å; E210-M214 PolarHBondContact O-N 2.83Å |
| 211 | R | 96.6 | Very high | 90.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.4 | -49.4 | 170.8 | 170.3 | -176.7 | 160.1 | -76.6 | -7.7 | 110.7 | L12 M43 G47 V207 R208 I209 I213 M214 I215 | L12-R211 HydrophobicContact CD1-CB 4.19Å; M43-R211 HydrophobicContact CE-CG 4.22Å; M43-R211 HydrophobicContact SD-CB 4.17Å; M43-R211 HydrophobicContact SD-CG 3.81Å; G47-R211 PolarHBondContact O-NE 3.32Å; G47-R211 PolarHBondContact O-NH2 2.85Å; V207-R211 WeakPolarHBondContact O-CB 3.23Å; V207-R211 PolarHBondContact O-N 3.09Å; R208-R211 WeakPolarHBondContact O-CB 3.19Å; R208-R211 PolarHBondContact O-N 3.36Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 3.47Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.41Å; R211-M214 PolarHBondContact O-N 3.14Å; R211-I215 HydrophobicContact CG-CG1 4.29Å; R211-I215 WeakPolarHBondContact O-CB 3.42Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 3.37Å |
| 212 | E | 97 | Very high | 91.5 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 22% | 0.22 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 178.5 | -73.4 | -60.2 | 146.8 | 0 | 0 | 111.8 | Y188 R208 I209 E210 I215 Y216 | Y188-E212 HydrophobicContact CD2-CB 4.07Å; Y188-E212 HydrophobicContact CE2-CB 3.85Å; Y188-E212 HydrophobicContact CE2-CG 3.91Å; R208-E212 PolarHBondContact O-N 3.23Å; R208-E212 VanDerWaalsContact O-N 3.16Å; I209-E212 PolarHBondContact O-N 2.99Å; I209-E212 VanDerWaalsContact O-N 3.08Å; E210-E212 VanDerWaalsContact C-N 3.35Å; E210-E212 PolarHBondContact O-N 3.47Å; E212-I215 PolarHBondContact O-N 2.8Å; E212-Y216 WeakPolarHBondContact O-CB 3.46Å; E212-Y216 PolarHBondContact O-N 3.28Å |
| 213 | I | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 173.6 | -62.3 | 168.8 | 0 | 0 | 0 | 111.2 | I158 A184 L187 I191 I209 E210 R211 Y216 C217 | I158-I213 HydrophobicContact CD1-CG2 4.32Å; A184-I213 HydrophobicContact CB-CD1 3.91Å; L187-I213 HydrophobicContact CB-CD1 3.84Å; L187-I213 HydrophobicContact CB-CG1 4Å; L187-I213 HydrophobicContact CD1-CD1 4.1Å; L187-I213 HydrophobicContact CD1-CG2 4.26Å; I191-I213 HydrophobicContact CD1-CB 4.29Å; I191-I213 HydrophobicContact CD1-CG1 3.86Å; I209-I213 HydrophobicContact CG2-CD1 4.13Å; I209-I213 WeakPolarHBondContact O-CG1 3.25Å; I209-I213 PolarHBondContact O-N 3.44Å; I209-I213 VanDerWaalsContact O-N 3.1Å; E210-I213 WeakPolarHBondContact O-CB 3.34Å; E210-I213 PolarHBondContact O-N 2.63Å; R211-I213 VanDerWaalsContact C-N 3.27Å; R211-I213 PolarHBondContact O-N 3.41Å; I213-Y216 PolarHBondContact O-N 3.43Å; I213-C217 PolarHBondContact O-N 2.86Å; I213-C217 PolarHBondContact O-SG 3.26Å |
| 214 | M | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 178.6 | -179.1 | 179.8 | 172 | 0 | 0 | 110.6 | V10 M43 V114 W148 T150 M153 E210 R211 Y216 C217 Y218 | V10-M214 HydrophobicContact CG2-CE 4.17Å; V10-M214 HydrophobicContact CG2-SD 4.5Å; M43-M214 HydrophobicContact CE-CE 4.41Å; M43-M214 HydrophobicContact CE-SD 3.85Å; V114-M214 HydrophobicContact CG1-SD 3.99Å; V114-M214 HydrophobicContact CG2-SD 4.2Å; W148-M214 HydrophobicContact CE3-CE 3.91Å; W148-M214 HydrophobicContact CZ3-CE 3.72Å; T150-M214 HydrophobicContact CG2-CB 4.04Å; M153-M214 HydrophobicContact SD-CG 4.14Å; E210-M214 PolarHBondContact O-N 2.83Å; R211-M214 PolarHBondContact O-N 3.14Å; M214-Y216 VanDerWaalsContact C-N 3.35Å; M214-Y216 PolarHBondContact O-N 3.46Å; M214-C217 WeakPolarHBondContact O-CB 3.47Å; M214-C217 PolarHBondContact O-N 3.27Å; M214-C217 VanDerWaalsContact O-N 3.15Å; M214-Y218 HydrophobicContact CE-CD2 4.32Å; M214-Y218 HydrophobicContact CE-CE1 4.39Å; M214-Y218 HydrophobicContact CE-CE2 3.62Å; M214-Y218 HydrophobicContact CG-CD2 3.94Å; M214-Y218 HydrophobicContact CG-CE2 3.88Å; M214-Y218 VanDerWaalsContact O-CD2 3.24Å; M214-Y218 WeakPolarHBondContact O-CD2 3.33Å; M214-Y218 PolarHBondContact O-N 2.86Å |
| 215 | I | 97.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | -177.8 | -64 | -50.1 | 0 | 0 | 0 | 111.7 | M43 R211 E212 C217 Y218 R219 | M43-I215 HydrophobicContact CE-CD1 3.71Å; M43-I215 HydrophobicContact CE-CG1 4.2Å; R211-I215 HydrophobicContact CG-CG1 4.29Å; R211-I215 WeakPolarHBondContact O-CB 3.42Å; R211-I215 VanDerWaalsContact O-CG1 3.28Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 3.37Å; E212-I215 PolarHBondContact O-N 2.8Å; I215-C217 VanDerWaalsContact C-N 3.32Å; I215-C217 PolarHBondContact O-N 3.08Å; I215-Y218 PolarHBondContact O-N 3.01Å; I215-R219 HydrophobicContact CG2-CG 4.33Å; I215-R219 WeakPolarHBondContact O-CB 3.24Å; I215-R219 VanDerWaalsContact O-CG 3.26Å; I215-R219 WeakPolarHBondContact O-CG 3.45Å; I215-R219 PolarHBondContact O-N 3.05Å |
| 216 | Y | 97.9 | Very high | 95.5 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 172.6 | -170.3 | -85.5 | 0 | 0 | 0 | 111.1 | I158 M161 F190 I191 E212 I213 M214 R219 Q220 | I158-Y216 HydrophobicContact CD1-CD1 3.89Å; I158-Y216 HydrophobicContact CD1-CE1 4.43Å; I158-Y216 HydrophobicContact CG1-CD1 3.81Å; I158-Y216 HydrophobicContact CG1-CE1 3.99Å; M161-Y216 WeakPolarHBondContact CE-OH 3.41Å; M161-Y216 HydrophobicContact SD-CE1 4.03Å; F190-Y216 HydrophobicContact CE1-CE1 4.23Å; F190-Y216 AromaticContact CE1-CZ 3.93Å; F190-Y216 WeakPolarHBondContact CE1-OH 3.43Å; I191-Y216 HydrophobicContact CB-CD2 4.28Å; I191-Y216 HydrophobicContact CD1-CD2 4.37Å; I191-Y216 HydrophobicContact CD1-CG 4.01Å; I191-Y216 HydrophobicContact CG1-CD1 4.33Å; I191-Y216 HydrophobicContact CG1-CD2 3.71Å; I191-Y216 HydrophobicContact CG1-CE2 4.19Å; I191-Y216 HydrophobicContact CG1-CG 3.77Å; I191-Y216 HydrophobicContact CG2-CD2 3.88Å; E212-Y216 WeakPolarHBondContact O-CB 3.46Å; E212-Y216 PolarHBondContact O-N 3.28Å; I213-Y216 PolarHBondContact O-N 3.43Å; M214-Y216 VanDerWaalsContact C-N 3.35Å; M214-Y216 PolarHBondContact O-N 3.46Å; Y216-R219 PolarHBondContact O-N 3.12Å; Y216-Q220 HydrophobicContact CD1-CG 4.39Å; Y216-Q220 HydrophobicContact CE1-CG 4.24Å; Y216-Q220 WeakPolarHBondContact O-CG 3.41Å; Y216-Q220 PolarHBondContact O-N 3.41Å |
| 217 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 178.5 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | M153 V157 I213 M214 I215 R219 Q220 M224 | M153-C217 HydrophobicContact CB-CB 4.05Å; V157-C217 HydrophobicContact CB-CB 4.39Å; V157-C217 HydrophobicContact CG2-CB 4.27Å; I213-C217 PolarHBondContact O-N 2.86Å; I213-C217 PolarHBondContact O-SG 3.26Å; M214-C217 WeakPolarHBondContact O-CB 3.47Å; M214-C217 PolarHBondContact O-N 3.27Å; M214-C217 VanDerWaalsContact O-N 3.15Å; I215-C217 VanDerWaalsContact C-N 3.32Å; I215-C217 PolarHBondContact O-N 3.08Å; C217-R219 PolarHBondContact O-N 3.06Å; C217-Q220 WeakPolarHBondContact O-CB 3.48Å; C217-Q220 PolarHBondContact O-N 3.08Å; C217-M224 HydrophobicContact CB-CE 4.43Å; C217-M224 HydrophobicContact CB-SD 3.84Å |
| 218 | Y | 96.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.7 | -88.9 | -116.7 | 0 | 0 | 0 | 112.3 | T45 W148 M153 M214 I215 Q220 K221 M224 | T45-Y218 HydrophobicContact CG2-CE1 4.15Å; W148-Y218 WeakPolarHBondContact CZ3-OH 3.3Å; M153-Y218 HydrophobicContact CE-CE2 4.21Å; M153-Y218 HydrophobicContact SD-CD2 4.45Å; M153-Y218 HydrophobicContact SD-CE2 3.9Å; M214-Y218 HydrophobicContact CE-CD2 4.32Å; M214-Y218 HydrophobicContact CE-CE1 4.39Å; M214-Y218 HydrophobicContact CE-CE2 3.62Å; M214-Y218 HydrophobicContact CG-CD2 3.94Å; M214-Y218 HydrophobicContact CG-CE2 3.88Å; M214-Y218 VanDerWaalsContact O-CD2 3.24Å; M214-Y218 WeakPolarHBondContact O-CD2 3.33Å; M214-Y218 PolarHBondContact O-N 2.86Å; I215-Y218 PolarHBondContact O-N 3.01Å; Y218-Q220 PolarHBondContact O-N 2.89Å; Y218-K221 PolarHBondContact O-N 2.94Å; Y218-K221 VanDerWaalsContact O-N 3.1Å; Y218-M224 HydrophobicContact CD2-CE 3.55Å; Y218-M224 HydrophobicContact CE2-CE 3.8Å; Y218-M224 HydrophobicContact CG-CE 4.04Å |
| 219 | R | 96.6 | Very high | 96.1 | Very high | 163 Ų | 163 | 64.2 Ų | 64.2 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63 | -26.4 | 177.8 | -76.8 | 171.8 | 176 | 164.3 | 6.9 | 113.2 | I215 Y216 C217 K221 | I215-R219 HydrophobicContact CG2-CG 4.33Å; I215-R219 WeakPolarHBondContact O-CB 3.24Å; I215-R219 VanDerWaalsContact O-CG 3.26Å; I215-R219 WeakPolarHBondContact O-CG 3.45Å; I215-R219 PolarHBondContact O-N 3.05Å; Y216-R219 PolarHBondContact O-N 3.12Å; C217-R219 PolarHBondContact O-N 3.06Å; R219-K221 PolarHBondContact O-N 2.61Å |
| 220 | Q | 95.5 | Very high | 95.6 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.5 | 176.6 | -58.8 | -48.5 | -53.8 | 0 | 0 | 113.4 | V157 Y216 C217 Y218 K222 | V157-Q220 HydrophobicContact CG1-CB 3.7Å; V157-Q220 HydrophobicContact CG1-CG 3.37Å; Y216-Q220 HydrophobicContact CD1-CG 4.39Å; Y216-Q220 HydrophobicContact CE1-CG 4.24Å; Y216-Q220 WeakPolarHBondContact O-CG 3.41Å; Y216-Q220 PolarHBondContact O-N 3.41Å; C217-Q220 WeakPolarHBondContact O-CB 3.48Å; C217-Q220 PolarHBondContact O-N 3.08Å; Y218-Q220 PolarHBondContact O-N 2.89Å; Q220-K222 HydrophobicContact CB-CD 4.32Å; Q220-K222 HydrophobicContact CB-CG 4.15Å; Q220-K222 PolarHBondContact O-N 3.19Å |
| 221 | K | 92.5 | Very high | 94.6 | Very high | 197 Ų | 197 | 75.4 Ų | 75.4 | 86% | 0.857 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 24.2 | -178.2 | -57.5 | -179.9 | -178.6 | 178.7 | 0 | 114 | Y218 R219 | Y218-K221 PolarHBondContact O-N 2.94Å; Y218-K221 VanDerWaalsContact O-N 3.1Å; R219-K221 PolarHBondContact O-N 2.61Å |
| 222 | K | 93.6 | Very high | 92.4 | Very high | 98 Ų | 98 | 82 Ų | 82 | 43% | 0.426 | 36% | 0.362 | S | S | . | . | trans | -86.6 | 149.9 | 177.7 | -69.5 | -179 | -176.9 | 174.8 | 0 | 110.2 | V157 Q220 M224 | V157-K222 HydrophobicContact CG1-CD 4.47Å; V157-K222 HydrophobicContact CG2-CB 4.36Å; Q220-K222 HydrophobicContact CB-CD 4.32Å; Q220-K222 HydrophobicContact CB-CG 4.15Å; Q220-K222 PolarHBondContact O-N 3.19Å; K222-M224 PolarHBondContact O-N 3.17Å | ||
| 223 | K | 94.4 | Very high | 90 | Very high | 208 Ų | 208 | 89 Ų | 89 | 90% | 0.904 | 39% | 0.392 | S | S | * | . | trans | -62.7 | 125 | 169.4 | -175.8 | 177 | -180 | 177.8 | 0 | 109.1 | ||||
| 224 | M | 96.1 | Very high | 87.5 | Confident | 47 Ų | 47 | 95.8 Ų | 95.8 | 23% | 0.232 | 43% | 0.433 | C | S | . | . | trans | -144.4 | 150.7 | -178.5 | 58.6 | -177.8 | 158.7 | 0 | 0 | 111 | M153 D156 V157 C217 Y218 K222 | M153-M224 HydrophobicContact CB-SD 3.94Å; M153-M224 HydrophobicContact CG-SD 4.05Å; D156-M224 HydrophobicContact CB-CB 3.88Å; V157-M224 HydrophobicContact CG2-CB 3.87Å; V157-M224 HydrophobicContact CG2-CG 4.4Å; V157-M224 HydrophobicContact CG2-SD 3.81Å; C217-M224 HydrophobicContact CB-CE 4.43Å; C217-M224 HydrophobicContact CB-SD 3.84Å; Y218-M224 HydrophobicContact CD2-CE 3.55Å; Y218-M224 HydrophobicContact CE2-CE 3.8Å; Y218-M224 HydrophobicContact CG-CE 4.04Å; K222-M224 PolarHBondContact O-N 3.17Å | ||
| 225 | R | 96.7 | Very high | 84.8 | Confident | 110 Ų | 110 | 103.8 Ų | 103.8 | 42% | 0.415 | 50% | 0.499 | S | S | . | . | trans | -78.1 | 136 | 166.7 | -64.8 | 169.4 | -67.3 | 165.8 | 0.2 | 109.1 | K152 M153 D156 E230 | K152-R225 HydrophobicContact CB-CB 4.44Å; K152-R225 HydrophobicContact CD-CB 4.49Å; M153-R225 PolarHBondContact N-O 3.37Å; D156-R225 IonicContact OD1-CZ 3.11Å; D156-R225 IonicContact OD1-NE 2.66Å; D156-R225 PolarHBondContact OD1-NE 3.29Å; D156-R225 IonicContact OD1-NH2 3.66Å; D156-R225 PolarHBondContact OD1-NH2 3.07Å; D156-R225 WeakPolarHBondContact OD2-CB 3.41Å; D156-R225 WeakPolarHBondContact OD2-CG 3.33Å; D156-R225 IonicContact OD2-CZ 2.77Å; D156-R225 PolarHBondContact OD2-N 3.12Å; D156-R225 IonicContact OD2-NE 2.97Å; D156-R225 PolarHBondContact OD2-NE 2.72Å; D156-R225 IonicContact OD2-NH2 4Å; R225-E230 VanDerWaalsContact CD-OE1 3.26Å; R225-E230 WeakPolarHBondContact CD-OE1 3.35Å; R225-E230 IonicContact NH1-OE1 3.59Å | ||
| 226 | K | 95.7 | Very high | 84.2 | Confident | 69 Ų | 69 | 108.9 Ų | 108.9 | 30% | 0.3 | 52% | 0.524 | S | S | . | . | trans | -114.8 | -43.8 | 172.9 | 61.8 | -174.1 | -169.1 | 172.1 | 0 | 112.3 | W148 D149 M153 L228 | W148-K226 CarbonylContact C-O 3.49Å; W148-K226 WeakPolarHBondContact CA-O 3.41Å; W148-K226 HydrophobicContact CD2-CB 4.2Å; W148-K226 HydrophobicContact CD2-CD 3.88Å; W148-K226 HydrophobicContact CD2-CG 4.23Å; W148-K226 HydrophobicContact CE3-CD 4.28Å; W148-K226 HydrophobicContact CG-CB 4.11Å; W148-K226 HydrophobicContact CG-CD 4.46Å; W148-K226 HydrophobicContact CG-CG 4.29Å; W148-K226 HydrophobicContact CH2-CD 4.15Å; W148-K226 HydrophobicContact CZ2-CD 3.74Å; W148-K226 VanDerWaalsContact CZ2-CE 3.48Å; W148-K226 HydrophobicContact CZ3-CD 4.39Å; D149-K226 PolarHBondContact N-O 2.8Å; M153-K226 HydrophobicContact CE-CB 3.64Å; M153-K226 HydrophobicContact CG-CB 4.5Å; K226-L228 PolarHBondContact O-N 2.76Å | ||
| 227 | K | 97.2 | Very high | 83.4 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 31% | 0.309 | 54% | 0.542 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 132 | -173.8 | -50.9 | -165.9 | -171.1 | -158.8 | 0 | 111.6 | E146 I147 K152 F229 | E146-K227 VanDerWaalsContact CD-CD 3.49Å; E146-K227 HydrophobicContact CG-CD 4.16Å; E146-K227 HydrophobicContact CG-CG 4.24Å; E146-K227 WeakPolarHBondContact OE1-CD 3.35Å; E146-K227 WeakPolarHBondContact OE1-CE 3.39Å; E146-K227 WeakPolarHBondContact OE1-CG 3.39Å; E146-K227 IonicContact OE1-NZ 3.99Å; E146-K227 WeakPolarHBondContact OE2-CD 3.42Å; E146-K227 WeakPolarHBondContact OE2-CE 3.21Å; E146-K227 IonicContact OE2-NZ 2.87Å; E146-K227 PolarHBondContact OE2-NZ 3.05Å; I147-K227 CarbonylContact O-C 3.45Å; I147-K227 WeakPolarHBondContact O-CA 3.08Å; K152-K227 WeakPolarHBondContact CD-O 3.44Å; K152-K227 PolarHBondContact NZ-O 2.65Å; K227-F229 WeakPolarHBondContact CB-O 3.24Å |
| 228 | L | 96.5 | Very high | 82.6 | Confident | 11 Ų | 11 | 118.5 Ų | 118.5 | 6% | 0.058 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -62.7 | -46.7 | 172.6 | 173.9 | 60.1 | 0 | 0 | 0 | 110.6 | R119 L122 I147 K152 K226 | R119-L228 HydrophobicContact CB-CD1 3.96Å; R119-L228 HydrophobicContact CB-CD2 4.02Å; L122-L228 HydrophobicContact CD2-CD2 4.08Å; I147-L228 HydrophobicContact CB-CB 4.1Å; I147-L228 HydrophobicContact CB-CD2 4.36Å; I147-L228 HydrophobicContact CG2-CB 3.98Å; I147-L228 HydrophobicContact CG2-CD2 3.86Å; I147-L228 PolarHBondContact O-N 2.84Å; K152-L228 PolarHBondContact NZ-O 2.94Å; K226-L228 PolarHBondContact O-N 2.76Å |
| 229 | F | 93.8 | Very high | 81.8 | Confident | 103 Ų | 103 | 122.1 Ų | 122.1 | 45% | 0.452 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -98.6 | 116.8 | 174.7 | -54.1 | -81.9 | 0 | 0 | 0 | 108.7 | L122 K227 | L122-F229 HydrophobicContact CD2-CE2 3.57Å; L122-F229 HydrophobicContact CD2-CZ 3.65Å; K227-F229 WeakPolarHBondContact CB-O 3.24Å |
| 230 | E | 85 | Confident | 80.9 | Confident | 116 Ų | 116 | 119.6 Ų | 119.6 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -79.2 | 131 | 169.8 | -67.5 | 175.6 | -157.2 | 0 | 0 | 106.8 | K152 R225 Q232 | K152-E230 IonicContact NZ-OE1 2.9Å; R225-E230 VanDerWaalsContact CD-OE1 3.26Å; R225-E230 WeakPolarHBondContact CD-OE1 3.35Å; R225-E230 IonicContact NH1-OE1 3.59Å; E230-Q232 PolarHBondContact O-N 2.97Å |
| 231 | N | 74 | Confident | 80 | Confident | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 120.9 | 167.5 | -69.1 | -2 | 0 | 0 | 0 | 105.5 | K233 | N231-K233 VanDerWaalsContact C-N 3.32Å; N231-K233 PolarHBondContact O-N 2.8Å |
| 232 | Q | 50.9 | Low | 79.1 | Confident | 185 Ų | 185 | 118.1 Ų | 118.1 | 86% | 0.864 | 59% | 0.594 | S | S | * | * | trans | -53 | 111.3 | 163.8 | -70.8 | -173.9 | -2.9 | 0 | 0 | 104.1 | E230 T234 | E230-Q232 PolarHBondContact O-N 2.97Å; Q232-T234 PolarHBondContact O-N 2.82Å | ||
| 233 | K | 47.7 | Very low | 77.9 | Confident | 194 Ų | 194 | 119.7 Ų | 119.7 | 84% | 0.843 | 61% | 0.607 | S | S | * | * | trans | -54.3 | 117.1 | 161.1 | -72.8 | -175.2 | 175.6 | -173.9 | 0 | 102.8 | N231 A235 | N231-K233 VanDerWaalsContact C-N 3.32Å; N231-K233 PolarHBondContact O-N 2.8Å; K233-A235 VanDerWaalsContact C-N 3.27Å; K233-A235 PolarHBondContact O-N 3.07Å | ||
| 234 | T | 44 | Very low | 76.6 | Confident | 142 Ų | 142 | 112.3 Ų | 112.3 | 87% | 0.871 | 58% | 0.582 | S | S | * | * | trans | -46.7 | 109.7 | 157.2 | 26.7 | 0 | 0 | 0 | 0 | 104.7 | Q232 | Q232-T234 PolarHBondContact O-N 2.82Š| ||
| 235 | A | 41.2 | Very low | 74.8 | Confident | 168 Ų | 168 | 118.3 Ų | 118.3 | 100% | 1.388 | 61% | 0.614 | S | S | * | * | trans | -60.5 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | K233 | K233-A235 VanDerWaalsContact C-N 3.27Å; K233-A235 PolarHBondContact O-N 3.07Å |
Retrieved 235 of 235 residues in 155.1 ms
(Link to these results)