| 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 | 51.1 | Low | 79.8 | Confident | 193 Ų | 193 | 60.6 Ų | 60.6 | 95% | 0.951 | 32% | 0.319 | S | S | * | . | 0 | 119 | 0 | -93.1 | 174.7 | 178.9 | 0 | 0 | 107.1 | D5 R9 | M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-R9 PolarHBondContact SD-NH1 3.41Å; M1-R9 PolarHBondContact SD-NH2 3.31Å; M1-R9 VanDerWaalsContact SD-NH2 3.4Å | |||
| 2 | G | 55.8 | Low | 81.3 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | trans | -65.2 | 160.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | E4 D5 | G2-E4 PolarHBondContact O-N 3.01Å; G2-D5 PolarHBondContact N-OD2 3.43Å; G2-D5 WeakPolarHBondContact O-CB 3.37Å; G2-D5 PolarHBondContact O-N 3.28Å | ||
| 3 | I | 59.6 | Low | 82.6 | Confident | 117 Ų | 117 | 54.3 Ų | 54.3 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.8 | -26.7 | -180 | -39.2 | 166.7 | 0 | 0 | 0 | 110.2 | E6 A7 | I3-E6 PolarHBondContact O-N 3.28Å; I3-A7 PolarHBondContact O-N 3.15Å |
| 4 | E | 62.1 | Low | 83.7 | Confident | 160 Ų | 160 | 58.6 Ų | 58.6 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.4 | -44.2 | 176.2 | -62.5 | 177.1 | 177.3 | 0 | 0 | 110.9 | G2 E6 A7 D8 | G2-E4 PolarHBondContact O-N 3.01Å; E4-E6 PolarHBondContact O-N 3.03Å; E4-E6 VanDerWaalsContact O-N 3.15Å; E4-A7 WeakPolarHBondContact O-CB 3.25Å; E4-A7 PolarHBondContact O-N 3.07Å; E4-D8 PolarHBondContact O-N 3.06Å |
| 5 | D | 79.7 | Confident | 84.7 | Confident | 78 Ų | 78 | 59 Ų | 59 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58 | -32.8 | 176.5 | -51.2 | -29.4 | 0 | 0 | 0 | 112.7 | M1 G2 R9 | M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; G2-D5 PolarHBondContact N-OD2 3.43Å; G2-D5 WeakPolarHBondContact O-CB 3.37Å; G2-D5 PolarHBondContact O-N 3.28Å; D5-R9 WeakPolarHBondContact O-CG 3.31Å; D5-R9 PolarHBondContact O-NE 3.26Å |
| 6 | E | 89.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -75.6 | -32.3 | 179.4 | -168 | 174.3 | 149.4 | 0 | 0 | 111.3 | I3 E4 D8 R9 T10 R37 V55 R259 | I3-E6 PolarHBondContact O-N 3.28Å; E4-E6 PolarHBondContact O-N 3.03Å; E4-E6 VanDerWaalsContact O-N 3.15Å; E6-D8 PolarHBondContact O-N 2.9Å; E6-R9 PolarHBondContact O-N 3.47Å; E6-T10 WeakPolarHBondContact O-CB 3.46Å; E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 PolarHBondContact O-OG1 3.03Å; E6-R37 IonicContact OE1-CZ 3.74Å; E6-R37 IonicContact OE1-NH2 3.67Å; E6-R37 PolarHBondContact OE1-NH2 3.2Å; E6-V55 HydrophobicContact CG-CG1 4.08Å; E6-R259 IonicContact OE2-NH1 3.49Å; E6-R259 PolarHBondContact OE2-NH1 3.08Å |
| 7 | A | 92.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I3 E4 R9 T10 | I3-A7 PolarHBondContact O-N 3.15Å; E4-A7 WeakPolarHBondContact O-CB 3.25Å; E4-A7 PolarHBondContact O-N 3.07Å; A7-R9 PolarHBondContact O-N 3.23Å; A7-T10 PolarHBondContact O-N 3.08Å; A7-T10 VanDerWaalsContact O-N 3.14Å |
| 8 | D | 95.1 | Very high | 86.8 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.6 | -20.8 | -179.9 | -71 | -22 | 0 | 0 | 0 | 113.3 | E4 E6 E59 V62 S87 S88 | E4-D8 PolarHBondContact O-N 3.06Å; E6-D8 PolarHBondContact O-N 2.9Å; D8-E59 HydrophobicContact CB-CG 4.06Å; D8-V62 WeakPolarHBondContact O-CG2 3.36Å; D8-S87 VanDerWaalsContact OD1-C 3.31Å; D8-S87 WeakPolarHBondContact OD1-CA 3.39Å; D8-S87 WeakPolarHBondContact OD1-CB 3.36Å; D8-S88 WeakPolarHBondContact OD1-CB 3.43Å; D8-S88 PolarHBondContact OD1-N 2.65Å; D8-S88 PolarHBondContact OD1-OG 3.15Å; D8-S88 PolarHBondContact OD2-OG 2.97Å |
| 9 | R | 96.6 | Very high | 87.3 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.4 | 176.7 | -68.9 | -178 | -67.7 | 170.4 | 0.6 | 114.1 | M1 D5 E6 A7 Y56 K57 E59 | M1-R9 PolarHBondContact SD-NH1 3.41Å; M1-R9 PolarHBondContact SD-NH2 3.31Å; M1-R9 VanDerWaalsContact SD-NH2 3.4Å; D5-R9 WeakPolarHBondContact O-CG 3.31Å; D5-R9 PolarHBondContact O-NE 3.26Å; E6-R9 PolarHBondContact O-N 3.47Å; A7-R9 PolarHBondContact O-N 3.23Å; R9-Y56 PolarHBondContact O-N 3.45Å; R9-K57 WeakPolarHBondContact CD-O 3.44Å; R9-K57 PolarHBondContact NH1-O 3.19Å; R9-E59 HydrophobicContact CG-CB 3.97Å |
| 10 | T | 97.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.8 | -173.1 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | E6 A7 F53 A54 V55 R84 | E6-T10 WeakPolarHBondContact O-CB 3.46Å; E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 PolarHBondContact O-OG1 3.03Å; A7-T10 PolarHBondContact O-N 3.08Å; A7-T10 VanDerWaalsContact O-N 3.14Å; T10-F53 HydrophobicContact CG2-CB 4.04Å; T10-F53 HydrophobicContact CG2-CD1 4.1Å; T10-A54 CarbonylContact C-O 3.49Å; T10-A54 WeakPolarHBondContact CA-O 3.41Å; T10-V55 HydrophobicContact CG2-CG2 4.1Å; T10-R84 HydrophobicContact CG2-CB 4.25Å; T10-R84 HydrophobicContact CG2-CG 4.46Å; T10-R84 WeakPolarHBondContact O-CB 3.45Å; T10-R84 PolarHBondContact O-N 3.38Å |
| 11 | L | 98.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.2 | 167.9 | -70.4 | 174.7 | 0 | 0 | 0 | 111.4 | F29 F53 A54 Y56 V62 A65 M66 V81 F83 | L11-F29 HydrophobicContact CD1-CD1 4.28Å; L11-F29 HydrophobicContact CD1-CE1 3.89Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.29Å; L11-A54 PolarHBondContact N-O 3.13Å; L11-A54 PolarHBondContact O-N 2.82Å; L11-Y56 HydrophobicContact CD1-CE2 3.9Å; L11-V62 HydrophobicContact CD2-CG1 3.41Å; L11-V62 VanDerWaalsContact CD2-CG1 3.41Å; L11-V62 HydrophobicContact CG-CG1 3.85Å; L11-A65 HydrophobicContact CD1-CB 3.6Å; L11-M66 HydrophobicContact CD2-CB 4.37Å; L11-M66 HydrophobicContact CD2-CE 3.81Å; L11-V81 HydrophobicContact CB-CG1 4.15Å; L11-V81 HydrophobicContact CD1-CG1 3.73Å; L11-V81 HydrophobicContact CD2-CG1 4.02Å; L11-V81 HydrophobicContact CG-CG1 4.2Å; L11-F83 HydrophobicContact CD2-CD1 4.23Å |
| 12 | F | 98.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.9 | 169.4 | 177.5 | -129.9 | 0 | 0 | 0 | 109.7 | R14 F51 F53 Q82 | F12-R14 HydrophobicContact CD1-CG 3.68Å; F12-R14 HydrophobicContact CE1-CG 3.17Å; F12-R14 HydrophobicContact CE2-CG 4.31Å; F12-R14 HydrophobicContact CG-CG 4.45Å; F12-R14 HydrophobicContact CZ-CG 3.53Å; F12-F51 HydrophobicContact CD2-CD2 4.39Å; F12-F51 HydrophobicContact CE2-CB 3.75Å; F12-F51 AromaticContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CE2 4.28Å; F12-F51 AromaticContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CZ-CB 4.16Å; F12-F51 HydrophobicContact CZ-CD2 4.45Å; F12-F51 HydrophobicContact CZ-CG 4.31Å; F12-F53 HydrophobicContact CB-CD1 4.49Å; F12-F53 HydrophobicContact CB-CE1 4.37Å; F12-F53 HydrophobicContact CD2-CD1 4.1Å; F12-F53 AromaticContact CD2-CE1 3.54Å; F12-F53 HydrophobicContact CD2-CE1 3.54Å; F12-F53 AromaticContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CE2-CE1 4.25Å; F12-F53 HydrophobicContact CE2-CZ 4.24Å; F12-F53 HydrophobicContact CG-CE1 4.35Å; F12-Q82 HydrophobicContact CB-CB 4.47Å; F12-Q82 HydrophobicContact CD1-CB 4.27Å; F12-Q82 PolarHBondContact N-O 3.4Å; F12-Q82 PolarHBondContact O-N 3.41Å |
| 13 | I | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.2 | -175.1 | -49.2 | 163.8 | 0 | 0 | 0 | 107.9 | L16 L25 F29 F51 G52 A54 I79 Q80 | I13-L16 HydrophobicContact CG2-CD2 3.67Å; I13-L16 HydrophobicContact CG2-CG 4.43Å; I13-L25 HydrophobicContact CD1-CD1 4.27Å; I13-L25 HydrophobicContact CD1-CD2 4.45Å; I13-F29 HydrophobicContact CD1-CD1 4.46Å; I13-F29 HydrophobicContact CD1-CD2 4.13Å; I13-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CE2 3.5Å; I13-F29 VanDerWaalsContact CD1-CE2 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.37Å; I13-F29 HydrophobicContact CG1-CE1 4.11Å; I13-F29 HydrophobicContact CG1-CE2 4.19Å; I13-F29 HydrophobicContact CG1-CZ 3.61Å; I13-F29 HydrophobicContact CG2-CZ 4.4Å; I13-F51 CarbonylContact O-C 3.58Å; I13-F51 WeakPolarHBondContact O-CA 3.4Å; I13-F51 VanDerWaalsContact O-CB 3.22Å; I13-F51 WeakPolarHBondContact O-CB 3.34Å; I13-G52 PolarHBondContact N-O 2.91Å; I13-G52 PolarHBondContact O-N 3.34Å; I13-A54 HydrophobicContact CD1-CB 3.94Å; I13-I79 HydrophobicContact CG2-CB 4.24Å; I13-I79 HydrophobicContact CG2-CD1 4.35Å; I13-Q80 CarbonylContact C-O 3.57Å; I13-Q80 WeakPolarHBondContact CA-O 3.43Å |
| 14 | R | 98 | Very high | 94.4 | Very high | 115 Ų | 115 | 51.6 Ų | 51.6 | 43% | 0.434 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 166.1 | -179.2 | -56.9 | 178.9 | 74.1 | 177.5 | -6.4 | 111.7 | F12 L16 Q80 | F12-R14 HydrophobicContact CD1-CG 3.68Å; F12-R14 HydrophobicContact CE1-CG 3.17Å; F12-R14 HydrophobicContact CE2-CG 4.31Å; F12-R14 HydrophobicContact CG-CG 4.45Å; F12-R14 HydrophobicContact CZ-CG 3.53Å; R14-L16 VanDerWaalsContact C-N 3.35Å; R14-Q80 HydrophobicContact CB-CB 4.22Å; R14-Q80 PolarHBondContact N-O 3.05Å; R14-Q80 PolarHBondContact O-N 3.47Å |
| 15 | N | 97.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 65.3 | 33.7 | 174.2 | -163.4 | 36.1 | 0 | 0 | 0 | 114 | T50 K77 T78 | N15-T50 PolarHBondContact N-O 3.08Å; N15-T50 VanDerWaalsContact N-O 3.1Å; N15-K77 WeakPolarHBondContact O-CE 3.43Å; N15-K77 WeakPolarHBondContact OD1-CE 3.49Å; N15-K77 PolarHBondContact OD1-NZ 2.88Å; N15-K77 VanDerWaalsContact OD1-NZ 3.13Å; N15-T78 PolarHBondContact ND2-O 2.95Å |
| 16 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | trans | -66.1 | 146.5 | 174.5 | -58.1 | -177.8 | 0 | 0 | 0 | 111 | I13 R14 V20 L25 I40 T50 F51 K77 I79 | I13-L16 HydrophobicContact CG2-CD2 3.67Å; I13-L16 HydrophobicContact CG2-CG 4.43Å; R14-L16 VanDerWaalsContact C-N 3.35Å; L16-V20 HydrophobicContact CD2-CG1 4.35Å; L16-L25 HydrophobicContact CD1-CD1 3.85Å; L16-L25 HydrophobicContact CD2-CD1 4.46Å; L16-L25 HydrophobicContact CD2-CD2 4.09Å; L16-I40 HydrophobicContact CD1-CD1 4.19Å; L16-I40 HydrophobicContact CD1-CG1 4.12Å; L16-T50 PolarHBondContact N-O 2.77Å; L16-F51 VanDerWaalsContact CD1-C 3.49Å; L16-K77 PolarHBondContact O-NZ 3.06Å; L16-I79 HydrophobicContact CD2-CG2 3.9Å | ||
| 17 | D | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | trans | -80.1 | 151.7 | 165.1 | -166.8 | -97.8 | 0 | 0 | 0 | 109.5 | R19 V20 Y75 K77 | D17-R19 PolarHBondContact O-N 3.04Å; D17-R19 WeakPolarHBondContact OD1-CB 3Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 IonicContact OD1-CZ 3.79Å; D17-R19 PolarHBondContact OD1-N 3.49Å; D17-R19 VanDerWaalsContact OD1-N 3.08Å; D17-R19 IonicContact OD1-NE 3.75Å; D17-R19 PolarHBondContact OD1-NE 3.28Å; D17-R19 IonicContact OD1-NH2 3.76Å; D17-R19 IonicContact OD2-NH2 3.25Å; D17-V20 HydrophobicContact CB-CG2 4.07Å; D17-V20 WeakPolarHBondContact O-CB 3.5Å; D17-V20 PolarHBondContact O-N 3.42Å; D17-Y75 HydrophobicContact CB-CD2 4.35Å; D17-K77 HydrophobicContact CB-CD 3.86Å; D17-K77 HydrophobicContact CB-CG 4.38Å; D17-K77 WeakPolarHBondContact OD2-CD 3.32Å | ||
| 18 | T | 95.8 | Very high | 97.7 | Very high | 102 Ų | 102 | 49.7 Ų | 49.7 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 19 | R | 96.8 | Very high | 97.8 | Very high | 145 Ų | 145 | 48.6 Ų | 48.6 | 55% | 0.547 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.6 | 174.2 | -62.9 | 175.3 | -71.4 | 177.9 | -7.1 | 113.6 | D17 T21 Y75 | D17-R19 PolarHBondContact O-N 3.04Å; D17-R19 WeakPolarHBondContact OD1-CB 3Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 IonicContact OD1-CZ 3.79Å; D17-R19 PolarHBondContact OD1-N 3.49Å; D17-R19 VanDerWaalsContact OD1-N 3.08Å; D17-R19 IonicContact OD1-NE 3.75Å; D17-R19 PolarHBondContact OD1-NE 3.28Å; D17-R19 IonicContact OD1-NH2 3.76Å; D17-R19 IonicContact OD2-NH2 3.25Å; R19-T21 PolarHBondContact O-N 3.45Å; R19-Y75 HydrophobicContact CB-CD1 4.35Å; R19-Y75 HydrophobicContact CB-CD2 3.97Å; R19-Y75 HydrophobicContact CB-CE1 4.34Å; R19-Y75 HydrophobicContact CB-CE2 3.95Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH2-O 2.95Å; R19-Y75 WeakPolarHBondContact O-CE2 3.47Å |
| 20 | V | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -68.3 | 127.5 | 176 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L16 D17 L24 L25 I40 Q48 L74 Y75 | L16-V20 HydrophobicContact CD2-CG1 4.35Å; D17-V20 HydrophobicContact CB-CG2 4.07Å; D17-V20 WeakPolarHBondContact O-CB 3.5Å; D17-V20 PolarHBondContact O-N 3.42Å; V20-L24 HydrophobicContact CG1-CD2 4.41Å; V20-L25 HydrophobicContact CG1-CD1 4.19Å; V20-L25 HydrophobicContact CG1-CD2 3.78Å; V20-L25 HydrophobicContact CG1-CG 3.64Å; V20-I40 HydrophobicContact CG1-CD1 4.33Å; V20-Q48 PolarHBondContact O-OE1 3.02Å; V20-L74 HydrophobicContact CG1-CD1 4.31Å; V20-L74 HydrophobicContact CG2-CB 4.01Å; V20-L74 HydrophobicContact CG2-CD1 4.11Å; V20-Y75 HydrophobicContact CG2-CD2 3.67Å; V20-Y75 HydrophobicContact CG2-CE2 3.99Å | ||
| 21 | T | 97.9 | Very high | 97.9 | Very high | 54 Ų | 54 | 57.4 Ų | 57.4 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | trans | -102.9 | 163.7 | 176.8 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | R19 E23 L24 L25 | R19-T21 PolarHBondContact O-N 3.45Å; T21-E23 WeakPolarHBondContact CB-OE2 3.01Å; T21-E23 PolarHBondContact O-N 3.39Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; T21-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact OG1-N 3.25Å; T21-L25 PolarHBondContact O-N 3.08Å; T21-L25 VanDerWaalsContact O-N 3.16Å | ||
| 22 | E | 97.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -36 | 177.2 | -69.4 | -177.6 | 166.2 | 0 | 0 | 110.8 | L25 F26 T38 K39 I40 | E22-L25 PolarHBondContact O-N 3.07Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.07Å; E22-T38 PolarHBondContact O-OG1 3.16Å; E22-K39 WeakPolarHBondContact OE1-CD 3.22Å; E22-K39 WeakPolarHBondContact OE1-CE 3.4Å; E22-K39 IonicContact OE1-NZ 2.75Å; E22-K39 PolarHBondContact OE1-NZ 2.75Å; E22-K39 IonicContact OE2-NZ 2.9Å; E22-K39 PolarHBondContact OE2-NZ 3.19Å; E22-I40 HydrophobicContact CG-CB 4.02Å; E22-I40 HydrophobicContact CG-CD1 4.08Å; E22-I40 HydrophobicContact CG-CG1 3.88Å; E22-I40 PolarHBondContact OE1-N 3.37Å |
| 23 | E | 98.2 | Very high | 97.8 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 177.4 | -57.5 | 75.8 | -165.3 | 0 | 0 | 111.4 | T21 L25 F26 E27 | T21-E23 WeakPolarHBondContact CB-OE2 3.01Å; T21-E23 PolarHBondContact O-N 3.39Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.4Å; E23-F26 WeakPolarHBondContact O-CA 3.42Å; E23-F26 WeakPolarHBondContact O-CB 3.39Å; E23-F26 PolarHBondContact O-N 3.21Å; E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.48Å |
| 24 | L | 98.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.8 | 179.1 | 64.2 | 0 | 0 | 0 | 111.6 | V20 T21 F26 L28 Y75 | V20-L24 HydrophobicContact CG1-CD2 4.41Å; T21-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact OG1-N 3.25Å; L24-F26 VanDerWaalsContact C-N 3.29Å; L24-F26 PolarHBondContact O-N 3.25Å; L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.01Å; L24-Y75 HydrophobicContact CD2-CE2 3.63Å |
| 25 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 174.3 | -71.6 | -177.2 | 0 | 0 | 0 | 111.6 | I13 L16 V20 T21 E22 E23 L28 F29 T38 I40 L74 | I13-L25 HydrophobicContact CD1-CD1 4.27Å; I13-L25 HydrophobicContact CD1-CD2 4.45Å; L16-L25 HydrophobicContact CD1-CD1 3.85Å; L16-L25 HydrophobicContact CD2-CD1 4.46Å; L16-L25 HydrophobicContact CD2-CD2 4.09Å; V20-L25 HydrophobicContact CG1-CD1 4.19Å; V20-L25 HydrophobicContact CG1-CD2 3.78Å; V20-L25 HydrophobicContact CG1-CG 3.64Å; T21-L25 PolarHBondContact O-N 3.08Å; T21-L25 VanDerWaalsContact O-N 3.16Å; E22-L25 PolarHBondContact O-N 3.07Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.05Å; L25-F29 HydrophobicContact CD2-CE2 4.3Å; L25-F29 WeakPolarHBondContact O-CB 3.33Å; L25-F29 VanDerWaalsContact O-CD2 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.49Å; L25-F29 PolarHBondContact O-N 3.49Å; L25-T38 HydrophobicContact CB-CG2 3.99Å; L25-I40 HydrophobicContact CD1-CD1 3.81Å; L25-I40 HydrophobicContact CD1-CG1 3.83Å; L25-L74 HydrophobicContact CD2-CD1 4.1Å |
| 26 | F | 98.5 | Very high | 97.7 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 179.2 | -171.1 | -93 | 0 | 0 | 0 | 110.7 | E22 E23 L24 L28 F29 L30 L35 T38 | E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.07Å; E23-F26 WeakPolarHBondContact O-CA 3.42Å; E23-F26 WeakPolarHBondContact O-CB 3.39Å; E23-F26 PolarHBondContact O-N 3.21Å; L24-F26 VanDerWaalsContact C-N 3.29Å; L24-F26 PolarHBondContact O-N 3.25Å; F26-L28 PolarHBondContact O-N 3.12Å; F26-F29 PolarHBondContact O-N 3.22Å; F26-L30 HydrophobicContact CD1-CD1 3.68Å; F26-L30 HydrophobicContact CD1-CG 4.09Å; F26-L30 HydrophobicContact CE1-CD1 3.49Å; F26-L30 VanDerWaalsContact CE1-CD1 3.49Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 3.9Å; F26-L30 HydrophobicContact CZ-CD1 4.4Å; F26-L30 HydrophobicContact CZ-CD2 4.29Å; F26-L30 HydrophobicContact CZ-CG 4.4Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 VanDerWaalsContact O-CG 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.34Å; F26-L30 PolarHBondContact O-N 3.12Å; F26-L35 HydrophobicContact CB-CD2 4.44Å; F26-L35 HydrophobicContact CD2-CD2 3.54Å; F26-L35 HydrophobicContact CD2-CG 4.1Å; F26-L35 HydrophobicContact CE2-CB 4.09Å; F26-L35 HydrophobicContact CE2-CD2 3.89Å; F26-L35 HydrophobicContact CE2-CG 3.98Å; F26-L35 HydrophobicContact CG-CD2 4.03Å; F26-L35 HydrophobicContact CZ-CB 4.43Å; F26-T38 HydrophobicContact CB-CG2 4.09Å; F26-T38 HydrophobicContact CD2-CG2 4.27Å |
| 27 | E | 98.3 | Very high | 97.7 | Very high | 125 Ų | 125 | 59.4 Ų | 59.4 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 177.4 | -69.8 | 179.1 | 178.2 | 0 | 0 | 112.9 | E23 | E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.48Å |
| 28 | L | 98.2 | Very high | 97.7 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 177.7 | 179.4 | 63.8 | 0 | 0 | 0 | 111.9 | L24 L25 F26 L30 Q31 L69 T72 L74 I79 | L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.01Å; L25-L28 PolarHBondContact O-N 3.05Å; F26-L28 PolarHBondContact O-N 3.12Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.3Å; L28-Q31 WeakPolarHBondContact O-CB 3.49Å; L28-Q31 VanDerWaalsContact O-CG 3.3Å; L28-Q31 WeakPolarHBondContact O-CG 3.37Å; L28-Q31 PolarHBondContact O-N 2.79Å; L28-L69 HydrophobicContact CD1-CD2 3.92Å; L28-L69 HydrophobicContact CG-CD2 4.21Å; L28-T72 HydrophobicContact CD1-CG2 4.3Å; L28-T72 HydrophobicContact CD2-CG2 4.2Å; L28-L74 HydrophobicContact CD2-CD1 4.08Å; L28-L74 HydrophobicContact CD2-CD2 4.3Å; L28-I79 HydrophobicContact CD2-CD1 3.95Å |
| 29 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -78.2 | -16.7 | -174.8 | -82.5 | -105 | 0 | 0 | 0 | 113.4 | L11 I13 L25 F26 Q31 A32 L35 A54 Y56 L69 I79 V81 | L11-F29 HydrophobicContact CD1-CD1 4.28Å; L11-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CD1 4.46Å; I13-F29 HydrophobicContact CD1-CD2 4.13Å; I13-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CE2 3.5Å; I13-F29 VanDerWaalsContact CD1-CE2 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.37Å; I13-F29 HydrophobicContact CG1-CE1 4.11Å; I13-F29 HydrophobicContact CG1-CE2 4.19Å; I13-F29 HydrophobicContact CG1-CZ 3.61Å; I13-F29 HydrophobicContact CG2-CZ 4.4Å; L25-F29 HydrophobicContact CD2-CE2 4.3Å; L25-F29 WeakPolarHBondContact O-CB 3.33Å; L25-F29 VanDerWaalsContact O-CD2 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.49Å; L25-F29 PolarHBondContact O-N 3.49Å; F26-F29 PolarHBondContact O-N 3.22Å; F29-Q31 PolarHBondContact O-N 3.49Å; F29-A32 PolarHBondContact O-N 2.92Å; F29-L35 HydrophobicContact CB-CD1 4.3Å; F29-L35 HydrophobicContact CB-CD2 3.69Å; F29-A54 HydrophobicContact CB-CB 4.33Å; F29-A54 HydrophobicContact CD1-CB 3.66Å; F29-A54 HydrophobicContact CE1-CB 4.17Å; F29-A54 HydrophobicContact CG-CB 3.98Å; F29-Y56 WeakPolarHBondContact CB-OH 3.26Å; F29-Y56 HydrophobicContact CD1-CE2 4.34Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.49Å; F29-Y56 WeakPolarHBondContact O-CE1 3.47Å; F29-Y56 PolarHBondContact O-OH 2.93Å; F29-L69 HydrophobicContact CB-CD1 4.33Å; F29-L69 HydrophobicContact CD1-CD1 3.78Å; F29-L69 HydrophobicContact CD2-CD1 4.19Å; F29-L69 HydrophobicContact CE1-CD1 4.03Å; F29-L69 HydrophobicContact CE2-CD1 4.42Å; F29-L69 HydrophobicContact CG-CD1 3.86Å; F29-L69 HydrophobicContact CZ-CD1 4.33Å; F29-I79 HydrophobicContact CE2-CD1 4.3Å; F29-V81 HydrophobicContact CE1-CG1 4.23Å; F29-V81 HydrophobicContact CE1-CG2 4.36Å; F29-V81 HydrophobicContact CZ-CG1 4.46Å; F29-V81 HydrophobicContact CZ-CG2 3.83Å |
| 30 | L | 97.9 | Very high | 97.8 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 38% | 0.382 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -59.1 | -26.9 | 169.5 | -85.6 | 173.7 | 0 | 0 | 0 | 113.2 | F26 L28 A32 G33 L35 | F26-L30 HydrophobicContact CD1-CD1 3.68Å; F26-L30 HydrophobicContact CD1-CG 4.09Å; F26-L30 HydrophobicContact CE1-CD1 3.49Å; F26-L30 VanDerWaalsContact CE1-CD1 3.49Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 3.9Å; F26-L30 HydrophobicContact CZ-CD1 4.4Å; F26-L30 HydrophobicContact CZ-CD2 4.29Å; F26-L30 HydrophobicContact CZ-CG 4.4Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 VanDerWaalsContact O-CG 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.34Å; F26-L30 PolarHBondContact O-N 3.12Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.3Å; L30-A32 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact O-N 3.13Å; L30-G33 PolarHBondContact O-N 3.13Å; L30-L35 HydrophobicContact CD2-CB 3.81Å; L30-L35 HydrophobicContact CG-CB 4.3Å |
| 31 | Q | 97 | Very high | 97.8 | Very high | 139 Ų | 139 | 51.3 Ų | 51.3 | 65% | 0.65 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -61.3 | -23.1 | -179.2 | -58.9 | -55.3 | -51.1 | 0 | 0 | 113.4 | L28 F29 L68 | L28-Q31 WeakPolarHBondContact O-CB 3.49Å; L28-Q31 VanDerWaalsContact O-CG 3.3Å; L28-Q31 WeakPolarHBondContact O-CG 3.37Å; L28-Q31 PolarHBondContact O-N 2.79Å; F29-Q31 PolarHBondContact O-N 3.49Å; Q31-L68 HydrophobicContact CB-CD2 4.48Å |
| 32 | A | 97.1 | Very high | 97.7 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -97.2 | -11 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F29 L30 Y56 Y64 A65 L68 L69 | F29-A32 PolarHBondContact O-N 2.92Å; L30-A32 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact O-N 3.13Å; A32-Y56 HydrophobicContact CB-CE1 4.46Å; A32-Y64 HydrophobicContact CB-CD1 3.92Å; A32-Y64 HydrophobicContact CB-CE1 4.2Å; A32-Y64 WeakPolarHBondContact O-CD1 3.5Å; A32-A65 VanDerWaalsContact CB-CA 3.41Å; A32-A65 HydrophobicContact CB-CB 3.35Å; A32-L68 HydrophobicContact CB-CD2 4.28Å; A32-L69 HydrophobicContact CB-CD1 4.3Å |
| 33 | G | 96.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 153.2 | -179.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L30 L35 | L30-G33 PolarHBondContact O-N 3.13Å; G33-L35 PolarHBondContact O-N 3.4Å |
| 34 | P | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 56 Ų | 56 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | trans | -61.8 | 110.6 | -177.7 | -21.5 | 33 | 0 | 0 | 0 | 111.8 | K57 | P34-K57 HydrophobicContact CB-CB 4.04Å; P34-K57 HydrophobicContact CB-CD 4.32Å; P34-K57 WeakPolarHBondContact O-CB 3.36Å; P34-K57 PolarHBondContact O-N 3.45Å | ||
| 35 | L | 97.8 | Very high | 97.1 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.6 | -176.5 | -165.4 | 67.5 | 0 | 0 | 0 | 110.5 | F26 F29 L30 G33 T38 A54 V55 Y56 | F26-L35 HydrophobicContact CB-CD2 4.44Å; F26-L35 HydrophobicContact CD2-CD2 3.54Å; F26-L35 HydrophobicContact CD2-CG 4.1Å; F26-L35 HydrophobicContact CE2-CB 4.09Å; F26-L35 HydrophobicContact CE2-CD2 3.89Å; F26-L35 HydrophobicContact CE2-CG 3.98Å; F26-L35 HydrophobicContact CG-CD2 4.03Å; F26-L35 HydrophobicContact CZ-CB 4.43Å; F29-L35 HydrophobicContact CB-CD1 4.3Å; F29-L35 HydrophobicContact CB-CD2 3.69Å; L30-L35 HydrophobicContact CD2-CB 3.81Å; L30-L35 HydrophobicContact CG-CB 4.3Å; G33-L35 PolarHBondContact O-N 3.4Å; L35-T38 HydrophobicContact CD2-CG2 3.81Å; L35-A54 HydrophobicContact CD1-CB 4.09Å; L35-V55 VanDerWaalsContact CD1-O 3.31Å; L35-V55 WeakPolarHBondContact CD1-O 3.3Å; L35-Y56 HydrophobicContact CB-CE1 4.44Å; L35-Y56 HydrophobicContact CD1-CD1 3.83Å; L35-Y56 HydrophobicContact CD1-CD2 4.11Å; L35-Y56 HydrophobicContact CD1-CE1 3.73Å; L35-Y56 HydrophobicContact CD1-CE2 4.03Å; L35-Y56 HydrophobicContact CD1-CG 4.02Å |
| 36 | I | 97.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 61.9 Ų | 61.9 | 47% | 0.467 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -51.4 | 176.3 | -64.2 | 177.3 | 0 | 0 | 0 | 109.9 | V55 Y56 K57 | I36-V55 WeakPolarHBondContact CB-O 3.45Å; I36-V55 HydrophobicContact CD1-CG1 4.44Å; I36-V55 PolarHBondContact N-O 2.94Å; I36-Y56 WeakPolarHBondContact CD1-O 3.15Å; I36-K57 HydrophobicContact CD1-CB 4.47Å; I36-K57 HydrophobicContact CG1-CB 4.16Å |
| 37 | R | 97.2 | Very high | 96.5 | Very high | 56 Ų | 56 | 66.1 Ų | 66.1 | 21% | 0.211 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 157.4 | -175.1 | 61.2 | -178.2 | -176.7 | 144.1 | -1 | 112.4 | E6 V55 | E6-R37 IonicContact OE1-CZ 3.74Å; E6-R37 IonicContact OE1-NH2 3.67Å; E6-R37 PolarHBondContact OE1-NH2 3.2Å; R37-V55 HydrophobicContact CG-CB 3.97Å; R37-V55 HydrophobicContact CG-CG2 3.97Å; R37-V55 PolarHBondContact N-O 3.47Å; R37-V55 PolarHBondContact O-N 3.44Å |
| 38 | T | 98.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 63.3 Ų | 63.3 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.4 | 164 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | E22 L25 F26 L35 F53 A54 | E22-T38 PolarHBondContact O-OG1 3.16Å; L25-T38 HydrophobicContact CB-CG2 3.99Å; F26-T38 HydrophobicContact CB-CG2 4.09Å; F26-T38 HydrophobicContact CD2-CG2 4.27Å; L35-T38 HydrophobicContact CD2-CG2 3.81Å; T38-F53 CarbonylContact C-O 3.52Å; T38-F53 WeakPolarHBondContact CA-O 3.26Å; T38-A54 HydrophobicContact CG2-CB 4.21Å |
| 39 | K | 97.6 | Very high | 96.3 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 128.6 | 176.2 | -172 | 72.3 | -155.6 | 143.2 | 0 | 111.2 | E22 G52 F53 | E22-K39 WeakPolarHBondContact OE1-CD 3.22Å; E22-K39 WeakPolarHBondContact OE1-CE 3.4Å; E22-K39 IonicContact OE1-NZ 2.75Å; E22-K39 PolarHBondContact OE1-NZ 2.75Å; E22-K39 IonicContact OE2-NZ 2.9Å; E22-K39 PolarHBondContact OE2-NZ 3.19Å; K39-G52 CarbonylContact O-C 3.58Å; K39-G52 WeakPolarHBondContact O-CA 3.42Å; K39-F53 PolarHBondContact N-O 2.93Å; K39-F53 PolarHBondContact O-N 3.1Å |
| 40 | I | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | trans | -109.5 | 107.4 | 168 | -59.7 | 171.9 | 0 | 0 | 0 | 106.8 | L16 V20 E22 L25 Q48 | L16-I40 HydrophobicContact CD1-CD1 4.19Å; L16-I40 HydrophobicContact CD1-CG1 4.12Å; V20-I40 HydrophobicContact CG1-CD1 4.33Å; E22-I40 HydrophobicContact CG-CB 4.02Å; E22-I40 HydrophobicContact CG-CD1 4.08Å; E22-I40 HydrophobicContact CG-CG1 3.88Å; E22-I40 PolarHBondContact OE1-N 3.37Å; L25-I40 HydrophobicContact CD1-CD1 3.81Å; L25-I40 HydrophobicContact CD1-CG1 3.83Å; I40-Q48 HydrophobicContact CG2-CB 3.89Å; I40-Q48 HydrophobicContact CG2-CG 4.34Å | ||
| 41 | P | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 67 Ų | 67 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | trans | -58.7 | 143.8 | 175.5 | -25.3 | 36.6 | 0 | 0 | 0 | 111.2 | K49 F51 F53 | P41-K49 HydrophobicContact CB-CD 4.31Å; P41-K49 WeakPolarHBondContact O-CB 3.48Å; P41-K49 PolarHBondContact O-N 2.9Å; P41-F51 HydrophobicContact CB-CE2 4.48Å; P41-F51 WeakPolarHBondContact CD-O 3.45Å; P41-F51 HydrophobicContact CG-CD2 4.38Å; P41-F51 HydrophobicContact CG-CE2 3.75Å; P41-F51 HydrophobicContact CG-CZ 4.36Å; P41-F53 HydrophobicContact CG-CD2 4.38Å; P41-F53 HydrophobicContact CG-CE2 4.03Å | ||
| 42 | K | 95.9 | Very high | 96.3 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -106.1 | 145.1 | 173.3 | -64.5 | -179.7 | 178.5 | -175.3 | 0 | 109 | K47 Q48 | K42-K47 CarbonylContact C-O 3.45Å; K42-K47 VanDerWaalsContact CA-O 3.29Å; K42-K47 WeakPolarHBondContact CA-O 3.08Å; K42-Q48 HydrophobicContact CG-CG 4.2Å |
| 43 | D | 94 | Very high | 96.3 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | trans | -73.2 | 175.3 | 173 | -152.8 | -2 | 0 | 0 | 0 | 111.5 | D45 G46 K47 | D43-D45 PolarHBondContact O-N 3.03Å; D43-G46 PolarHBondContact O-N 2.82Å; D43-K47 PolarHBondContact N-O 3.03Å | ||
| 44 | S | 94.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 59.8 Ų | 59.8 | 78% | 0.783 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -34.5 | 175.7 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | G46 | S44-G46 PolarHBondContact O-N 2.86Š|
| 45 | D | 92.9 | Very high | 96.4 | Very high | 126 Ų | 126 | 56.8 Ų | 56.8 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 6.4 | 178.5 | -59.6 | -90.2 | 0 | 0 | 0 | 113.5 | D43 K47 | D43-D45 PolarHBondContact O-N 3.03Å; D45-K47 PolarHBondContact O-N 2.88Å |
| 46 | G | 92.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 56 Ų | 56 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 74.8 | -1.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D43 S44 | D43-G46 PolarHBondContact O-N 2.82Å; S44-G46 PolarHBondContact O-N 2.86Å |
| 47 | K | 93.7 | Very high | 96.3 | Very high | 156 Ų | 156 | 57.3 Ų | 57.3 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 139 | 174.7 | -67.5 | -179.2 | -179.2 | 173.3 | 0 | 110.6 | K42 D43 D45 | K42-K47 CarbonylContact C-O 3.45Å; K42-K47 VanDerWaalsContact CA-O 3.29Å; K42-K47 WeakPolarHBondContact CA-O 3.08Å; D43-K47 PolarHBondContact N-O 3.03Å; D45-K47 PolarHBondContact O-N 2.88Å |
| 48 | Q | 95.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 137.9 | 177.8 | -62.3 | -172.9 | 36.2 | 0 | 0 | 110.8 | V20 I40 K42 | V20-Q48 PolarHBondContact O-OE1 3.02Å; I40-Q48 HydrophobicContact CG2-CB 3.89Å; I40-Q48 HydrophobicContact CG2-CG 4.34Å; K42-Q48 HydrophobicContact CG-CG 4.2Å |
| 49 | K | 96.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 157.8 | 170.6 | -65.2 | -162.9 | 177.1 | -165 | 0 | 110 | P41 F51 | P41-K49 HydrophobicContact CB-CD 4.31Å; P41-K49 WeakPolarHBondContact O-CB 3.48Å; P41-K49 PolarHBondContact O-N 2.9Å; K49-F51 HydrophobicContact CB-CD1 3.9Å; K49-F51 HydrophobicContact CB-CE1 3.8Å; K49-F51 HydrophobicContact CB-CZ 4.33Å; K49-F51 HydrophobicContact CD-CD1 4.36Å; K49-F51 HydrophobicContact CD-CE1 3.4Å; K49-F51 VanDerWaalsContact CD-CE1 3.4Å; K49-F51 HydrophobicContact CD-CZ 3.56Å; K49-F51 HydrophobicContact CG-CE1 4.21Å; K49-F51 PolarHBondContact O-N 2.91Å; K49-F51 VanDerWaalsContact O-N 3.07Å |
| 50 | T | 96.6 | Very high | 96 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -81.9 | 23.7 | -178.6 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | N15 L16 | N15-T50 PolarHBondContact N-O 3.08Å; N15-T50 VanDerWaalsContact N-O 3.1Å; L16-T50 PolarHBondContact N-O 2.77Å |
| 51 | F | 98 | Very high | 96 | Very high | 43 Ų | 43 | 65 Ų | 65 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 160.1 | 178 | 68.5 | -99.1 | 0 | 0 | 0 | 111.2 | F12 I13 L16 P41 K49 F53 | F12-F51 HydrophobicContact CD2-CD2 4.39Å; F12-F51 HydrophobicContact CE2-CB 3.75Å; F12-F51 AromaticContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CE2 4.28Å; F12-F51 AromaticContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CZ-CB 4.16Å; F12-F51 HydrophobicContact CZ-CD2 4.45Å; F12-F51 HydrophobicContact CZ-CG 4.31Å; I13-F51 CarbonylContact O-C 3.58Å; I13-F51 WeakPolarHBondContact O-CA 3.4Å; I13-F51 VanDerWaalsContact O-CB 3.22Å; I13-F51 WeakPolarHBondContact O-CB 3.34Å; L16-F51 VanDerWaalsContact CD1-C 3.49Å; P41-F51 HydrophobicContact CB-CE2 4.48Å; P41-F51 WeakPolarHBondContact CD-O 3.45Å; P41-F51 HydrophobicContact CG-CD2 4.38Å; P41-F51 HydrophobicContact CG-CE2 3.75Å; P41-F51 HydrophobicContact CG-CZ 4.36Å; K49-F51 HydrophobicContact CB-CD1 3.9Å; K49-F51 HydrophobicContact CB-CE1 3.8Å; K49-F51 HydrophobicContact CB-CZ 4.33Å; K49-F51 HydrophobicContact CD-CD1 4.36Å; K49-F51 HydrophobicContact CD-CE1 3.4Å; K49-F51 VanDerWaalsContact CD-CE1 3.4Å; K49-F51 HydrophobicContact CD-CZ 3.56Å; K49-F51 HydrophobicContact CG-CE1 4.21Å; K49-F51 PolarHBondContact O-N 2.91Å; K49-F51 VanDerWaalsContact O-N 3.07Å; F51-F53 HydrophobicContact CD2-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CZ 4.24Å; F51-F53 AromaticContact CE2-CE2 3.75Å; F51-F53 HydrophobicContact CE2-CE2 3.75Å; F51-F53 AromaticContact CE2-CZ 3.99Å; F51-F53 HydrophobicContact CE2-CZ 3.99Å |
| 52 | G | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 179.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I13 K39 | I13-G52 PolarHBondContact N-O 2.91Å; I13-G52 PolarHBondContact O-N 3.34Å; K39-G52 CarbonylContact O-C 3.58Å; K39-G52 WeakPolarHBondContact O-CA 3.42Å |
| 53 | F | 98.3 | Very high | 96 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.3 | 178.6 | -58.5 | -83.6 | 0 | 0 | 0 | 110.3 | T10 L11 F12 T38 K39 P41 F51 W260 | T10-F53 HydrophobicContact CG2-CB 4.04Å; T10-F53 HydrophobicContact CG2-CD1 4.1Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.29Å; F12-F53 HydrophobicContact CB-CD1 4.49Å; F12-F53 HydrophobicContact CB-CE1 4.37Å; F12-F53 HydrophobicContact CD2-CD1 4.1Å; F12-F53 AromaticContact CD2-CE1 3.54Å; F12-F53 HydrophobicContact CD2-CE1 3.54Å; F12-F53 AromaticContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CE2-CE1 4.25Å; F12-F53 HydrophobicContact CE2-CZ 4.24Å; F12-F53 HydrophobicContact CG-CE1 4.35Å; T38-F53 CarbonylContact C-O 3.52Å; T38-F53 WeakPolarHBondContact CA-O 3.26Å; K39-F53 PolarHBondContact N-O 2.93Å; K39-F53 PolarHBondContact O-N 3.1Å; P41-F53 HydrophobicContact CG-CD2 4.38Å; P41-F53 HydrophobicContact CG-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CZ 4.24Å; F51-F53 AromaticContact CE2-CE2 3.75Å; F51-F53 HydrophobicContact CE2-CE2 3.75Å; F51-F53 AromaticContact CE2-CZ 3.99Å; F51-F53 HydrophobicContact CE2-CZ 3.99Å; F53-W260 HydrophobicContact CB-CH2 4.45Å; F53-W260 HydrophobicContact CD1-CH2 4.29Å; F53-W260 HydrophobicContact CD1-CZ3 4.33Å; F53-W260 HydrophobicContact CD2-CE3 4.34Å; F53-W260 AromaticContact CD2-CH2 3.95Å; F53-W260 HydrophobicContact CD2-CH2 3.95Å; F53-W260 AromaticContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CE1-CZ3 4.17Å; F53-W260 AromaticContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CH2 4.24Å; F53-W260 AromaticContact CE2-CZ3 3.61Å; F53-W260 HydrophobicContact CE2-CZ3 3.61Å; F53-W260 AromaticContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CZ3 4.15Å; F53-W260 HydrophobicContact CZ-CE3 4.46Å; F53-W260 AromaticContact CZ-CZ3 3.82Å; F53-W260 HydrophobicContact CZ-CZ3 3.82Å |
| 54 | A | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | T10 L11 I13 F29 L35 T38 | T10-A54 CarbonylContact C-O 3.49Å; T10-A54 WeakPolarHBondContact CA-O 3.41Å; L11-A54 PolarHBondContact N-O 3.13Å; L11-A54 PolarHBondContact O-N 2.82Å; I13-A54 HydrophobicContact CD1-CB 3.94Å; F29-A54 HydrophobicContact CB-CB 4.33Å; F29-A54 HydrophobicContact CD1-CB 3.66Å; F29-A54 HydrophobicContact CE1-CB 4.17Å; F29-A54 HydrophobicContact CG-CB 3.98Å; L35-A54 HydrophobicContact CD1-CB 4.09Å; T38-A54 HydrophobicContact CG2-CB 4.21Å |
| 55 | V | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.9 | -177.6 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | E6 T10 L35 I36 R37 | E6-V55 HydrophobicContact CG-CG1 4.08Å; T10-V55 HydrophobicContact CG2-CG2 4.1Å; L35-V55 VanDerWaalsContact CD1-O 3.31Å; L35-V55 WeakPolarHBondContact CD1-O 3.3Å; I36-V55 WeakPolarHBondContact CB-O 3.45Å; I36-V55 HydrophobicContact CD1-CG1 4.44Å; I36-V55 PolarHBondContact N-O 2.94Å; R37-V55 HydrophobicContact CG-CB 3.97Å; R37-V55 HydrophobicContact CG-CG2 3.97Å; R37-V55 PolarHBondContact N-O 3.47Å; R37-V55 PolarHBondContact O-N 3.44Å |
| 56 | Y | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 158.1 | 176.9 | -75.5 | -83 | 0 | 0 | 0 | 112.4 | R9 L11 F29 A32 L35 I36 H58 V62 A65 | R9-Y56 PolarHBondContact O-N 3.45Å; L11-Y56 HydrophobicContact CD1-CE2 3.9Å; F29-Y56 WeakPolarHBondContact CB-OH 3.26Å; F29-Y56 HydrophobicContact CD1-CE2 4.34Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.49Å; F29-Y56 WeakPolarHBondContact O-CE1 3.47Å; F29-Y56 PolarHBondContact O-OH 2.93Å; A32-Y56 HydrophobicContact CB-CE1 4.46Å; L35-Y56 HydrophobicContact CB-CE1 4.44Å; L35-Y56 HydrophobicContact CD1-CD1 3.83Å; L35-Y56 HydrophobicContact CD1-CD2 4.11Å; L35-Y56 HydrophobicContact CD1-CE1 3.73Å; L35-Y56 HydrophobicContact CD1-CE2 4.03Å; L35-Y56 HydrophobicContact CD1-CG 4.02Å; I36-Y56 WeakPolarHBondContact CD1-O 3.15Å; Y56-H58 VanDerWaalsContact C-N 3.35Å; Y56-H58 WeakPolarHBondContact CB-O 3.29Å; Y56-V62 HydrophobicContact CD2-CG2 4.01Å; Y56-A65 HydrophobicContact CE2-CB 3.76Å; Y56-A65 VanDerWaalsContact OH-CB 3.26Å; Y56-A65 WeakPolarHBondContact OH-CB 3.33Å |
| 57 | K | 96.3 | Very high | 96.8 | Very high | 120 Ų | 120 | 58.3 Ų | 58.3 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -67.8 | -39.6 | 171.3 | -171.2 | 177.9 | 175.8 | -178.2 | 0 | 111.5 | R9 P34 I36 | R9-K57 WeakPolarHBondContact CD-O 3.44Å; R9-K57 PolarHBondContact NH1-O 3.19Å; P34-K57 HydrophobicContact CB-CB 4.04Å; P34-K57 HydrophobicContact CB-CD 4.32Å; P34-K57 WeakPolarHBondContact O-CB 3.36Å; P34-K57 PolarHBondContact O-N 3.45Å; I36-K57 HydrophobicContact CD1-CB 4.47Å; I36-K57 HydrophobicContact CG1-CB 4.16Å |
| 58 | H | 95.4 | Very high | 97 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -122.3 | 140.2 | -175.3 | -57.3 | -69.9 | 0 | 0 | 0 | 110.8 | Y56 V60 S61 | Y56-H58 VanDerWaalsContact C-N 3.35Å; Y56-H58 WeakPolarHBondContact CB-O 3.29Å; H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 HydrophobicContact CB-CG1 4.03Å; H58-V60 PolarHBondContact O-N 3.39Å; H58-S61 PolarHBondContact O-N 3Å |
| 59 | E | 95.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 52 Ų | 52 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -38.5 | 179.7 | 178.9 | -172.4 | 162.9 | 0 | 0 | 112.1 | D8 R9 S61 V62 P63 H89 | D8-E59 HydrophobicContact CB-CG 4.06Å; R9-E59 HydrophobicContact CG-CB 3.97Å; E59-S61 PolarHBondContact O-N 3.2Å; E59-V62 VanDerWaalsContact O-CB 3.27Å; E59-V62 WeakPolarHBondContact O-CB 3.43Å; E59-V62 WeakPolarHBondContact O-CG2 3.47Å; E59-V62 PolarHBondContact O-N 3.04Å; E59-P63 WeakPolarHBondContact O-CD 3.34Å; E59-H89 IonicContact OE1-CD2 3.64Å; E59-H89 IonicContact OE1-CE1 3.7Å; E59-H89 IonicContact OE1-NE2 3.98Å; E59-H89 PolarHBondContact OE1-NE2 3.28Å |
| 60 | V | 94.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 53 Ų | 53 | 70% | 0.697 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -24.3 | 180 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | H58 V62 P63 | H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 HydrophobicContact CB-CG1 4.03Å; H58-V60 PolarHBondContact O-N 3.39Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V60-P63 WeakPolarHBondContact O-CD 3.37Å |
| 61 | S | 97.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.3 | -25.7 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | H58 E59 A65 | H58-S61 PolarHBondContact O-N 3Å; E59-S61 PolarHBondContact O-N 3.2Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 3.4Å |
| 62 | V | 97.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -53.4 | -174.7 | 177.2 | 0 | 0 | 0 | 0 | 113.4 | D8 L11 Y56 E59 V60 Y64 A65 M66 F83 | D8-V62 WeakPolarHBondContact O-CG2 3.36Å; L11-V62 HydrophobicContact CD2-CG1 3.41Å; L11-V62 VanDerWaalsContact CD2-CG1 3.41Å; L11-V62 HydrophobicContact CG-CG1 3.85Å; Y56-V62 HydrophobicContact CD2-CG2 4.01Å; E59-V62 VanDerWaalsContact O-CB 3.27Å; E59-V62 WeakPolarHBondContact O-CB 3.43Å; E59-V62 WeakPolarHBondContact O-CG2 3.47Å; E59-V62 PolarHBondContact O-N 3.04Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.09Å; V62-A65 PolarHBondContact O-N 2.82Å; V62-M66 PolarHBondContact O-N 2.81Å; V62-F83 HydrophobicContact CG1-CD1 3.72Å; V62-F83 HydrophobicContact CG1-CE1 3.82Å |
| 63 | P | 96.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 178.6 | 24.2 | -34.2 | 0 | 0 | 0 | 112.1 | E59 V60 M66 Q67 | E59-P63 WeakPolarHBondContact O-CD 3.34Å; V60-P63 WeakPolarHBondContact O-CD 3.37Å; P63-M66 PolarHBondContact O-N 3.43Å; P63-Q67 PolarHBondContact O-N 3.18Å; P63-Q67 VanDerWaalsContact O-N 3.13Å |
| 64 | Y | 97.9 | Very high | 97.3 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 176.5 | 178.6 | -115.1 | 0 | 0 | 0 | 112 | A32 V62 M66 Q67 L68 | A32-Y64 HydrophobicContact CB-CD1 3.92Å; A32-Y64 HydrophobicContact CB-CE1 4.2Å; A32-Y64 WeakPolarHBondContact O-CD1 3.5Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.09Å; Y64-M66 VanDerWaalsContact C-N 3.31Å; Y64-M66 PolarHBondContact O-N 2.85Å; Y64-Q67 PolarHBondContact O-N 2.84Å; Y64-L68 HydrophobicContact CE1-CD2 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.13Å; Y64-L68 PolarHBondContact O-N 3.07Å |
| 65 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 A32 Y56 S61 V62 L68 L69 | L11-A65 HydrophobicContact CD1-CB 3.6Å; A32-A65 VanDerWaalsContact CB-CA 3.41Å; A32-A65 HydrophobicContact CB-CB 3.35Å; Y56-A65 HydrophobicContact CE2-CB 3.76Å; Y56-A65 VanDerWaalsContact OH-CB 3.26Å; Y56-A65 WeakPolarHBondContact OH-CB 3.33Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 3.4Å; V62-A65 PolarHBondContact O-N 2.82Å; A65-L68 PolarHBondContact O-N 2.86Å; A65-L69 WeakPolarHBondContact O-CB 3.09Å; A65-L69 PolarHBondContact O-N 3.13Å |
| 66 | M | 97.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 16% | 0.163 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.7 | -179.3 | 177.5 | -64.2 | 0 | 0 | 111.6 | L11 V62 P63 Y64 L68 N70 V81 F83 | L11-M66 HydrophobicContact CD2-CB 4.37Å; L11-M66 HydrophobicContact CD2-CE 3.81Å; V62-M66 PolarHBondContact O-N 2.81Å; P63-M66 PolarHBondContact O-N 3.43Å; Y64-M66 VanDerWaalsContact C-N 3.31Å; Y64-M66 PolarHBondContact O-N 2.85Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.8Å; M66-N70 WeakPolarHBondContact O-CB 3.26Å; M66-N70 PolarHBondContact O-N 3.33Å; M66-V81 HydrophobicContact CB-CG1 4.42Å; M66-V81 HydrophobicContact CG-CG1 4.46Å; M66-F83 HydrophobicContact CE-CB 4.12Å; M66-F83 HydrophobicContact CE-CD1 3.34Å; M66-F83 HydrophobicContact CE-CD2 3.45Å; M66-F83 VanDerWaalsContact CE-CD2 3.45Å; M66-F83 HydrophobicContact CE-CE1 3.45Å; M66-F83 VanDerWaalsContact CE-CE1 3.45Å; M66-F83 HydrophobicContact CE-CE2 3.55Å; M66-F83 HydrophobicContact CE-CG 3.34Å; M66-F83 HydrophobicContact CE-CZ 3.54Å; M66-F83 HydrophobicContact SD-CD1 4.49Å; M66-F83 HydrophobicContact SD-CD2 4.02Å; M66-F83 HydrophobicContact SD-CE1 4.1Å; M66-F83 HydrophobicContact SD-CE2 3.56Å; M66-F83 VanDerWaalsContact SD-CE2 3.56Å; M66-F83 HydrophobicContact SD-CG 4.45Å; M66-F83 HydrophobicContact SD-CZ 3.6Å |
| 67 | Q | 97.1 | Very high | 97.2 | Very high | 166 Ų | 166 | 66.6 Ų | 66.6 | 78% | 0.776 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.3 | -39.7 | 180 | -174.1 | 178.4 | 4.9 | 0 | 0 | 112.1 | P63 Y64 | P63-Q67 PolarHBondContact O-N 3.18Å; P63-Q67 VanDerWaalsContact O-N 3.13Å; Y64-Q67 PolarHBondContact O-N 2.84Å |
| 68 | L | 98 | Very high | 97.3 | Very high | 80 Ų | 80 | 64 Ų | 64 | 42% | 0.419 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.8 | -43.1 | -175.1 | -179.8 | 62.8 | 0 | 0 | 0 | 113.2 | Q31 A32 Y64 A65 M66 | Q31-L68 HydrophobicContact CB-CD2 4.48Å; A32-L68 HydrophobicContact CB-CD2 4.28Å; Y64-L68 HydrophobicContact CE1-CD2 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.13Å; Y64-L68 PolarHBondContact O-N 3.07Å; A65-L68 PolarHBondContact O-N 2.86Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.8Å |
| 69 | L | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -106.9 | -14 | -164.5 | -58.9 | 173.2 | 0 | 0 | 0 | 113.8 | L28 F29 A32 A65 G71 T72 | L28-L69 HydrophobicContact CD1-CD2 3.92Å; L28-L69 HydrophobicContact CG-CD2 4.21Å; F29-L69 HydrophobicContact CB-CD1 4.33Å; F29-L69 HydrophobicContact CD1-CD1 3.78Å; F29-L69 HydrophobicContact CD2-CD1 4.19Å; F29-L69 HydrophobicContact CE1-CD1 4.03Å; F29-L69 HydrophobicContact CE2-CD1 4.42Å; F29-L69 HydrophobicContact CG-CD1 3.86Å; F29-L69 HydrophobicContact CZ-CD1 4.33Å; A32-L69 HydrophobicContact CB-CD1 4.3Å; A65-L69 WeakPolarHBondContact O-CB 3.09Å; A65-L69 PolarHBondContact O-N 3.13Å; L69-G71 PolarHBondContact O-N 3.26Å; L69-T72 WeakPolarHBondContact O-CB 3.28Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 PolarHBondContact O-OG1 3.38Å |
| 70 | N | 98.1 | Very high | 97.6 | Very high | 85 Ų | 85 | 60 Ų | 60 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 130.7 | 175.8 | -176.8 | 49 | 0 | 0 | 0 | 110.8 | M66 Q80 V81 | M66-N70 WeakPolarHBondContact O-CB 3.26Å; M66-N70 PolarHBondContact O-N 3.33Å; N70-Q80 WeakPolarHBondContact OD1-CA 3.18Å; N70-V81 HydrophobicContact CB-CB 4.03Å; N70-V81 HydrophobicContact CB-CG2 4.35Å; N70-V81 PolarHBondContact OD1-N 3.36Å |
| 71 | G | 97.8 | Very high | 97.7 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L69 S73 T78 I79 | L69-G71 PolarHBondContact O-N 3.26Å; G71-S73 PolarHBondContact O-N 3.43Å; G71-T78 WeakPolarHBondContact O-CG2 3.1Å; G71-I79 WeakPolarHBondContact CA-O 3.26Å; G71-I79 PolarHBondContact N-O 3.46Å |
| 72 | T | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | trans | -65 | 133.1 | 173.8 | -56.7 | 0 | 0 | 0 | 0 | 111 | L28 L69 L74 I79 | L28-T72 HydrophobicContact CD1-CG2 4.3Å; L28-T72 HydrophobicContact CD2-CG2 4.2Å; L69-T72 WeakPolarHBondContact O-CB 3.28Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 PolarHBondContact O-OG1 3.38Å; T72-L74 HydrophobicContact CG2-CD2 4.38Å; T72-I79 WeakPolarHBondContact O-CG1 3.49Å; T72-I79 PolarHBondContact O-N 2.86Å | ||
| 73 | S | 98.1 | Very high | 97.7 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.4 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | G71 K77 T78 | G71-S73 PolarHBondContact O-N 3.43Å; S73-K77 CarbonylContact C-O 3.45Å; S73-K77 WeakPolarHBondContact CA-O 3.49Å; S73-T78 PolarHBondContact OG-OG1 2.91Å |
| 74 | L | 97.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.3 | 172.2 | -61.3 | 179.8 | 0 | 0 | 0 | 108.9 | V20 L25 L28 T72 G76 K77 I79 | V20-L74 HydrophobicContact CG1-CD1 4.31Å; V20-L74 HydrophobicContact CG2-CB 4.01Å; V20-L74 HydrophobicContact CG2-CD1 4.11Å; L25-L74 HydrophobicContact CD2-CD1 4.1Å; L28-L74 HydrophobicContact CD2-CD1 4.08Å; L28-L74 HydrophobicContact CD2-CD2 4.3Å; T72-L74 HydrophobicContact CG2-CD2 4.38Å; L74-G76 PolarHBondContact O-N 3.35Å; L74-G76 VanDerWaalsContact O-N 3.12Å; L74-K77 PolarHBondContact N-O 2.69Å; L74-K77 PolarHBondContact O-N 3.47Å; L74-K77 VanDerWaalsContact O-O 3.13Å; L74-I79 HydrophobicContact CB-CG2 4.39Å; L74-I79 HydrophobicContact CD1-CD1 4.46Å; L74-I79 HydrophobicContact CD1-CG2 3.89Å; L74-I79 HydrophobicContact CG-CG2 4.11Å |
| 75 | Y | 97.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.5 | 179.5 | -61.9 | -68.2 | 0 | 0 | 0 | 114.6 | D17 R19 V20 L24 K77 | D17-Y75 HydrophobicContact CB-CD2 4.35Å; R19-Y75 HydrophobicContact CB-CD1 4.35Å; R19-Y75 HydrophobicContact CB-CD2 3.97Å; R19-Y75 HydrophobicContact CB-CE1 4.34Å; R19-Y75 HydrophobicContact CB-CE2 3.95Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH2-O 2.95Å; R19-Y75 WeakPolarHBondContact O-CE2 3.47Å; V20-Y75 HydrophobicContact CG2-CD2 3.67Å; V20-Y75 HydrophobicContact CG2-CE2 3.99Å; L24-Y75 HydrophobicContact CD2-CE2 3.63Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.43Å |
| 76 | G | 96.6 | Very high | 96.8 | Very high | 76 Ų | 76 | 62.3 Ų | 62.3 | 78% | 0.784 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -0.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L74 | L74-G76 PolarHBondContact O-N 3.35Å; L74-G76 VanDerWaalsContact O-N 3.12Å |
| 77 | K | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.2 | 173.5 | -65 | -173.2 | 69.7 | -172.5 | 0 | 110.9 | N15 L16 D17 S73 L74 Y75 | N15-K77 WeakPolarHBondContact O-CE 3.43Å; N15-K77 WeakPolarHBondContact OD1-CE 3.49Å; N15-K77 PolarHBondContact OD1-NZ 2.88Å; N15-K77 VanDerWaalsContact OD1-NZ 3.13Å; L16-K77 PolarHBondContact O-NZ 3.06Å; D17-K77 HydrophobicContact CB-CD 3.86Å; D17-K77 HydrophobicContact CB-CG 4.38Å; D17-K77 WeakPolarHBondContact OD2-CD 3.32Å; S73-K77 CarbonylContact C-O 3.45Å; S73-K77 WeakPolarHBondContact CA-O 3.49Å; L74-K77 PolarHBondContact N-O 2.69Å; L74-K77 PolarHBondContact O-N 3.47Å; L74-K77 VanDerWaalsContact O-O 3.13Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.43Å |
| 78 | T | 98.3 | Very high | 96.1 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.6 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | N15 G71 S73 | N15-T78 PolarHBondContact ND2-O 2.95Å; G71-T78 WeakPolarHBondContact O-CG2 3.1Å; S73-T78 PolarHBondContact OG-OG1 2.91Å |
| 79 | I | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -73.8 | 147.4 | 179 | 74.8 | -175.8 | 0 | 0 | 0 | 110.7 | I13 L16 L28 F29 G71 T72 L74 V81 | I13-I79 HydrophobicContact CG2-CB 4.24Å; I13-I79 HydrophobicContact CG2-CD1 4.35Å; L16-I79 HydrophobicContact CD2-CG2 3.9Å; L28-I79 HydrophobicContact CD2-CD1 3.95Å; F29-I79 HydrophobicContact CE2-CD1 4.3Å; G71-I79 WeakPolarHBondContact CA-O 3.26Å; G71-I79 PolarHBondContact N-O 3.46Å; T72-I79 WeakPolarHBondContact O-CG1 3.49Å; T72-I79 PolarHBondContact O-N 2.86Å; L74-I79 HydrophobicContact CB-CG2 4.39Å; L74-I79 HydrophobicContact CD1-CD1 4.46Å; L74-I79 HydrophobicContact CD1-CG2 3.89Å; L74-I79 HydrophobicContact CG-CG2 4.11Å; I79-V81 HydrophobicContact CD1-CG2 4.31Å; I79-V81 HydrophobicContact CG1-CG2 4.3Å | ||
| 80 | Q | 98.3 | Very high | 94.7 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.4 | 173.4 | -64.7 | -178.1 | -16.9 | 0 | 0 | 109.4 | I13 R14 N70 | I13-Q80 CarbonylContact C-O 3.57Å; I13-Q80 WeakPolarHBondContact CA-O 3.43Å; R14-Q80 HydrophobicContact CB-CB 4.22Å; R14-Q80 PolarHBondContact N-O 3.05Å; R14-Q80 PolarHBondContact O-N 3.47Å; N70-Q80 WeakPolarHBondContact OD1-CA 3.18Å |
| 81 | V | 98.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.3 | -177.9 | -175.9 | 0 | 0 | 0 | 0 | 109 | L11 F29 M66 N70 I79 | L11-V81 HydrophobicContact CB-CG1 4.15Å; L11-V81 HydrophobicContact CD1-CG1 3.73Å; L11-V81 HydrophobicContact CD2-CG1 4.02Å; L11-V81 HydrophobicContact CG-CG1 4.2Å; F29-V81 HydrophobicContact CE1-CG1 4.23Å; F29-V81 HydrophobicContact CE1-CG2 4.36Å; F29-V81 HydrophobicContact CZ-CG1 4.46Å; F29-V81 HydrophobicContact CZ-CG2 3.83Å; M66-V81 HydrophobicContact CB-CG1 4.42Å; M66-V81 HydrophobicContact CG-CG1 4.46Å; N70-V81 HydrophobicContact CB-CB 4.03Å; N70-V81 HydrophobicContact CB-CG2 4.35Å; N70-V81 PolarHBondContact OD1-N 3.36Å; I79-V81 HydrophobicContact CD1-CG2 4.31Å; I79-V81 HydrophobicContact CG1-CG2 4.3Å |
| 82 | Q | 97.7 | Very high | 91.3 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 33% | 0.332 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 156.4 | -175.9 | -59.1 | -174.9 | 8.8 | 0 | 0 | 110.2 | F12 | F12-Q82 HydrophobicContact CB-CB 4.47Å; F12-Q82 HydrophobicContact CD1-CB 4.27Å; F12-Q82 PolarHBondContact N-O 3.4Å; F12-Q82 PolarHBondContact O-N 3.41Å |
| 83 | F | 96.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 24% | 0.241 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 142.1 | 172.7 | -65 | -63.2 | 0 | 0 | 0 | 108.2 | L11 V62 M66 T85 H89 | L11-F83 HydrophobicContact CD2-CD1 4.23Å; V62-F83 HydrophobicContact CG1-CD1 3.72Å; V62-F83 HydrophobicContact CG1-CE1 3.82Å; M66-F83 HydrophobicContact CE-CB 4.12Å; M66-F83 HydrophobicContact CE-CD1 3.34Å; M66-F83 HydrophobicContact CE-CD2 3.45Å; M66-F83 VanDerWaalsContact CE-CD2 3.45Å; M66-F83 HydrophobicContact CE-CE1 3.45Å; M66-F83 VanDerWaalsContact CE-CE1 3.45Å; M66-F83 HydrophobicContact CE-CE2 3.55Å; M66-F83 HydrophobicContact CE-CG 3.34Å; M66-F83 HydrophobicContact CE-CZ 3.54Å; M66-F83 HydrophobicContact SD-CD1 4.49Å; M66-F83 HydrophobicContact SD-CD2 4.02Å; M66-F83 HydrophobicContact SD-CE1 4.1Å; M66-F83 HydrophobicContact SD-CE2 3.56Å; M66-F83 VanDerWaalsContact SD-CE2 3.56Å; M66-F83 HydrophobicContact SD-CG 4.45Å; M66-F83 HydrophobicContact SD-CZ 3.6Å; F83-T85 PolarHBondContact O-N 3.16Å; F83-H89 HydrophobicContact CB-CB 4.06Å; F83-H89 HydrophobicContact CD1-CB 3.27Å; F83-H89 AromaticContact CD1-CG 3.94Å; F83-H89 HydrophobicContact CD2-CB 3.81Å; F83-H89 VanDerWaalsContact CD2-O 3.26Å; F83-H89 WeakPolarHBondContact CD2-O 3.32Å; F83-H89 HydrophobicContact CE1-CB 3.52Å; F83-H89 AromaticContact CE1-CG 3.83Å; F83-H89 AromaticContact CE1-ND1 3.72Å; F83-H89 HydrophobicContact CE2-CB 4.03Å; F83-H89 HydrophobicContact CG-CB 3.43Å; F83-H89 VanDerWaalsContact CG-CB 3.43Å; F83-H89 HydrophobicContact CZ-CB 3.9Å |
| 84 | R | 94.7 | Very high | 86.9 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 136.3 | 176 | 178.3 | 170.4 | 177.6 | -85.8 | -1.1 | 109.5 | T10 G86 S87 S90 Y263 | T10-R84 HydrophobicContact CG2-CB 4.25Å; T10-R84 HydrophobicContact CG2-CG 4.46Å; T10-R84 WeakPolarHBondContact O-CB 3.45Å; T10-R84 PolarHBondContact O-N 3.38Å; R84-G86 PolarHBondContact O-N 2.75Å; R84-S87 VanDerWaalsContact O-CB 3.26Å; R84-S87 WeakPolarHBondContact O-CB 3.31Å; R84-S87 PolarHBondContact O-N 2.73Å; R84-S87 PolarHBondContact O-OG 2.81Å; R84-S90 PolarHBondContact O-OG 2.84Å; R84-Y263 PolarHBondContact NH2-OH 3.27Å |
| 85 | T | 90.8 | Very high | 84.6 | Confident | 113 Ų | 113 | 71.9 Ų | 71.9 | 69% | 0.693 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 132.2 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 111 | F83 S87 | F83-T85 PolarHBondContact O-N 3.16Å; T85-S87 VanDerWaalsContact C-N 3.31Å |
| 86 | G | 88.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 10.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R84 S90 | R84-G86 PolarHBondContact O-N 2.75Å; G86-S90 PolarHBondContact N-OG 2.8Å |
| 87 | S | 89.9 | Confident | 80 | Confident | 7 Ų | 7 | 77.5 Ų | 77.5 | 5% | 0.049 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -81.4 | 151.2 | 161.5 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | D8 R84 T85 H89 S90 | D8-S87 VanDerWaalsContact OD1-C 3.31Å; D8-S87 WeakPolarHBondContact OD1-CA 3.39Å; D8-S87 WeakPolarHBondContact OD1-CB 3.36Å; R84-S87 VanDerWaalsContact O-CB 3.26Å; R84-S87 WeakPolarHBondContact O-CB 3.31Å; R84-S87 PolarHBondContact O-N 2.73Å; R84-S87 PolarHBondContact O-OG 2.81Å; T85-S87 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.44Å; S87-S90 PolarHBondContact N-OG 2.68Å; S87-S90 PolarHBondContact O-N 3.07Å; S87-S90 PolarHBondContact O-OG 3.41Å; S87-S90 PolarHBondContact OG-N 2.89Å; S87-S90 VanDerWaalsContact OG-N 3.15Å; S87-S90 PolarHBondContact OG-OG 3.21Å |
| 88 | S | 89.8 | Confident | 77.6 | Confident | 98 Ų | 98 | 80.5 Ų | 80.5 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -28.8 | 168.4 | -55 | 0 | 0 | 0 | 0 | 112.2 | D8 | D8-S88 WeakPolarHBondContact OD1-CB 3.43Å; D8-S88 PolarHBondContact OD1-N 2.65Å; D8-S88 PolarHBondContact OD1-OG 3.15Å; D8-S88 PolarHBondContact OD2-OG 2.97Å |
| 89 | H | 84.9 | Confident | 75.1 | Confident | 48 Ų | 48 | 82.1 Ų | 82.1 | 22% | 0.222 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.4 | 176.3 | -64 | -103.6 | 0 | 0 | 0 | 113.1 | E59 F83 S87 S91 | E59-H89 IonicContact OE1-CD2 3.64Å; E59-H89 IonicContact OE1-CE1 3.7Å; E59-H89 IonicContact OE1-NE2 3.98Å; E59-H89 PolarHBondContact OE1-NE2 3.28Å; F83-H89 HydrophobicContact CB-CB 4.06Å; F83-H89 HydrophobicContact CD1-CB 3.27Å; F83-H89 AromaticContact CD1-CG 3.94Å; F83-H89 HydrophobicContact CD2-CB 3.81Å; F83-H89 VanDerWaalsContact CD2-O 3.26Å; F83-H89 WeakPolarHBondContact CD2-O 3.32Å; F83-H89 HydrophobicContact CE1-CB 3.52Å; F83-H89 AromaticContact CE1-CG 3.83Å; F83-H89 AromaticContact CE1-ND1 3.72Å; F83-H89 HydrophobicContact CE2-CB 4.03Å; F83-H89 HydrophobicContact CG-CB 3.43Å; F83-H89 VanDerWaalsContact CG-CB 3.43Å; F83-H89 HydrophobicContact CZ-CB 3.9Å; S87-H89 PolarHBondContact O-N 3.44Å; H89-S91 PolarHBondContact O-N 2.63Å; H89-S91 VanDerWaalsContact O-N 3.09Å |
| 90 | S | 81.9 | Confident | 73.3 | Confident | 33 Ų | 33 | 88.1 Ų | 88.1 | 23% | 0.231 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -77.1 | 94.5 | 172.2 | 67.1 | 0 | 0 | 0 | 0 | 109.2 | R84 G86 S87 P92 | R84-S90 PolarHBondContact O-OG 2.84Å; G86-S90 PolarHBondContact N-OG 2.8Å; S87-S90 PolarHBondContact N-OG 2.68Å; S87-S90 PolarHBondContact O-N 3.07Å; S87-S90 PolarHBondContact O-OG 3.41Å; S87-S90 PolarHBondContact OG-N 2.89Å; S87-S90 VanDerWaalsContact OG-N 3.15Å; S87-S90 PolarHBondContact OG-OG 3.21Å; S90-P92 WeakPolarHBondContact O-CD 3.2Å |
| 91 | S | 69.4 | Low | 71 | Confident | 101 Ų | 101 | 87.8 Ų | 87.8 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | trans | -54.7 | 128.1 | 175 | -42.7 | 0 | 0 | 0 | 0 | 109.6 | H89 G93 | H89-S91 PolarHBondContact O-N 2.63Å; H89-S91 VanDerWaalsContact O-N 3.09Å; S91-G93 PolarHBondContact O-N 3.26Å | ||
| 92 | P | 55.2 | Low | 68.5 | Low | 146 Ų | 146 | 94.7 Ų | 94.7 | 95% | 0.948 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -75.6 | 43.8 | 176.4 | 30 | -34.4 | 0 | 0 | 0 | 112.2 | S90 | S90-P92 WeakPolarHBondContact O-CD 3.2Š|
| 93 | G | 53 | Low | 66.6 | Low | 60 Ų | 60 | 97.7 Ų | 97.7 | 62% | 0.619 | 62% | 0.621 | S | S | * | * | trans | -149 | 56.2 | -160.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S91 | S91-G93 PolarHBondContact O-N 3.26Š| ||
| 94 | N | 50.3 | Low | 64.1 | Low | 131 Ų | 131 | 101 Ų | 101 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | trans | -155.7 | 58 | 145.8 | -157.6 | 26.1 | 0 | 0 | 0 | 113 | Q96 | N94-Q96 PolarHBondContact O-N 3.19Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 95 | S | 48.9 | Very low | 61.9 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -89.4 | 60.5 | 151.8 | -70.3 | 0 | 0 | 0 | 0 | 108.5 | N97 | S95-N97 PolarHBondContact O-N 3.38Š| ||
| 96 | Q | 49.2 | Very low | 60.2 | Low | 169 Ų | 169 | 105.8 Ų | 105.8 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | trans | -83.3 | 106 | 163.5 | -76.6 | -167.1 | -15.5 | 0 | 0 | 109.2 | N94 | N94-Q96 PolarHBondContact O-N 3.19Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 97 | N | 48.2 | Very low | 57.9 | Low | 137 Ų | 137 | 110.7 Ų | 110.7 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | 78.3 | 81.5 | 138.8 | -156.2 | 24.3 | 0 | 0 | 0 | 118.2 | S95 | S95-N97 PolarHBondContact O-N 3.38Š| ||
| 98 | S | 47.5 | Very low | 55.7 | Low | 121 Ų | 121 | 114.2 Ų | 114.2 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -110.3 | 96 | 145.5 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 99 | S | 47.2 | Very low | 53.7 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | 117.6 | 126.6 | 151.5 | -48.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 100 | P | 59.9 | Low | 51.7 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -86.3 | 125.2 | 168.4 | 34 | -26.3 | 0 | 0 | 0 | 109.2 | ||||
| 101 | A | 49 | Very low | 49.5 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -175.2 | 133.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 102 | N | 46.4 | Very low | 48.6 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 75.9 | 76.7 | 154.1 | -61.6 | -31.3 | 0 | 0 | 0 | 118.3 | ||||
| 103 | T | 57.8 | Low | 48.2 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -58.6 | 125.4 | 137.1 | 35.6 | 0 | 0 | 0 | 0 | 110.1 | N105 | T103-N105 PolarHBondContact O-N 3.04Š| ||
| 104 | P | 44.8 | Very low | 47.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -79.3 | 108 | 170.9 | 31 | -30.1 | 0 | 0 | 0 | 109 | ||||
| 105 | N | 47.4 | Very low | 47.6 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 130.2 | 170.9 | -152.5 | 68.6 | 0 | 0 | 0 | 109.6 | T103 | T103-N105 PolarHBondContact O-N 3.04Š| ||
| 106 | P | 54.9 | Low | 47.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 79% | 0.79 | S | S | * | * | trans | -98.1 | 95.2 | -171 | 35.4 | -29.5 | 0 | 0 | 0 | 111.3 | ||||
| 107 | H | 41 | Very low | 46.9 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -176.9 | 95.1 | 151.3 | -117.7 | 68.2 | 0 | 0 | 0 | 111.2 | ||||
| 108 | G | 42.3 | Very low | 47.3 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -95.4 | 96.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 109 | Q | 48.5 | Very low | 47.3 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -90.1 | 124.4 | 153.7 | -72.6 | -68.8 | -7.1 | 0 | 0 | 108 | ||||
| 110 | R | 42.4 | Very low | 47.3 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -35.7 | 142 | 164.8 | -97.5 | 164.5 | 117.8 | -157.6 | 0.8 | 112.8 | ||||
| 111 | M | 37 | Very low | 47.5 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | -163.9 | 141.3 | 118.4 | -69.2 | -42.7 | 161.9 | 0 | 0 | 110.1 | |||||
| 112 | P | 49.8 | Very low | 47.7 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | trans | -104.2 | 160.1 | 174.4 | 37.9 | -28.6 | 0 | 0 | 0 | 113.3 | ||||
| 113 | V | 47.2 | Very low | 48.2 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | 60.9 | 126.6 | 158.4 | -63.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 114 | H | 45 | Very low | 47.8 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | -161.1 | 140.5 | 128.3 | -114.7 | -128 | 0 | 0 | 0 | 111.1 | |||||
| 115 | F | 45.8 | Very low | 48 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 133.6 | -171.7 | -161.8 | -95.9 | 0 | 0 | 0 | 109.1 | ||||
| 116 | S | 38.3 | Very low | 48 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 174.1 | 136.4 | 149.4 | -78.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 117 | S | 43.6 | Very low | 47.7 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 170.4 | -175.1 | -61.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 118 | P | 57.7 | Low | 48 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 160.6 | -146 | 39 | -34.7 | 0 | 0 | 0 | 114.7 | ||
| 119 | P | 47.3 | Very low | 47.6 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 120.8 | 152.2 | 32.1 | -24.1 | 0 | 0 | 0 | 110.5 | T121 | P119-T121 PolarHBondContact O-N 3.36Å; P119-T121 PolarHBondContact O-OG1 3.17Å |
| 120 | Y | 48.1 | Very low | 47.1 | Very low | 216 Ų | 216 | 153.2 Ų | 153.2 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 121.8 | 169.6 | -163.7 | -94.6 | 0 | 0 | 0 | 110.2 | ||
| 121 | T | 62.3 | Low | 47.4 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -125.5 | 125.2 | 168.5 | -6.4 | 0 | 0 | 0 | 0 | 107.5 | P119 | P119-T121 PolarHBondContact O-N 3.36Å; P119-T121 PolarHBondContact O-OG1 3.17Å | ||
| 122 | P | 53.2 | Low | 47.4 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 58% | 0.578 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 143.8 | -174.5 | 27.5 | -33.2 | 0 | 0 | 0 | 110.5 | H124 | P122-H124 PolarHBondContact O-N 2.96Š|
| 123 | P | 56.8 | Low | 47.5 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.3 | 174.1 | 25.4 | -31.6 | 0 | 0 | 0 | 109.9 | Q125 | P123-Q125 PolarHBondContact O-N 3.28Š|
| 124 | H | 49.8 | Very low | 47.7 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.9 | 165.9 | -69.4 | -93.2 | 0 | 0 | 0 | 108.6 | P122 L126 | P122-H124 PolarHBondContact O-N 2.96Å; H124-L126 PolarHBondContact O-N 3.22Å; H124-L126 VanDerWaalsContact O-N 3.08Å |
| 125 | Q | 50.5 | Low | 48.4 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -61.2 | 111.8 | 170.8 | -66.1 | -153 | -6.8 | 0 | 0 | 109 | P123 Q127 | P123-Q125 PolarHBondContact O-N 3.28Å; Q125-Q127 PolarHBondContact O-N 3.47Å; Q125-Q127 VanDerWaalsContact O-N 3.07Å | ||
| 126 | L | 46.9 | Very low | 49.1 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -76.2 | 100.6 | 163.5 | -156.7 | 74.1 | 0 | 0 | 0 | 107.7 | H124 R128 | H124-L126 PolarHBondContact O-N 3.22Å; H124-L126 VanDerWaalsContact O-N 3.08Å; L126-R128 PolarHBondContact O-N 3.35Å; L126-R128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | Q | 48.2 | Very low | 50.2 | Low | 158 Ų | 158 | 137.7 Ų | 137.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -45.4 | 110.5 | 173.2 | -161 | 179.5 | -46 | 0 | 0 | 110.6 | Q125 S129 | Q125-Q127 PolarHBondContact O-N 3.47Å; Q125-Q127 VanDerWaalsContact O-N 3.07Å; Q127-S129 WeakPolarHBondContact CG-OG 3.08Å; Q127-S129 PolarHBondContact NE2-OG 3.17Å; Q127-S129 PolarHBondContact O-N 2.99Å | ||
| 128 | R | 47.2 | Very low | 50.9 | Low | 226 Ų | 226 | 139.5 Ų | 139.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -52.7 | 110.6 | 153.8 | -78.2 | 174.8 | 167.7 | -101.7 | 0.8 | 106.9 | L126 | L126-R128 PolarHBondContact O-N 3.35Å; L126-R128 VanDerWaalsContact O-N 3.15Å | ||
| 129 | S | 34 | Very low | 51 | Low | 82 Ų | 82 | 139.4 Ų | 139.4 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | trans | -129.5 | 120.7 | 168.8 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | Q127 | Q127-S129 WeakPolarHBondContact CG-OG 3.08Å; Q127-S129 PolarHBondContact NE2-OG 3.17Å; Q127-S129 PolarHBondContact O-N 2.99Å | ||
| 130 | F | 38.8 | Very low | 51.8 | Low | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.803 | 72% | 0.721 | S | S | * | * | trans | -63.2 | 159.7 | 175.6 | -68.9 | -104.9 | 0 | 0 | 0 | 111.2 | ||||
| 131 | S | 47.6 | Very low | 52.8 | Low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | trans | -6.3 | 139.3 | 171.5 | -50 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 132 | S | 38.5 | Very low | 53 | Low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -141.8 | 146.1 | 152.5 | -93.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 133 | P | 51.6 | Low | 53.8 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | trans | -106.1 | 51.3 | -160.2 | 39.7 | -27.6 | 0 | 0 | 0 | 113.9 | ||||
| 134 | D | 51.4 | Low | 54.6 | Low | 130 Ų | 130 | 135.2 Ų | 135.2 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | trans | -115.3 | 22.1 | -165.3 | -129.4 | -73.6 | 0 | 0 | 0 | 116.8 | ||||
| 135 | N | 59 | Low | 55.6 | Low | 117 Ų | 117 | 133.7 Ų | 133.7 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | -98.7 | 6.3 | 179.4 | -85.1 | -39.6 | 0 | 0 | 0 | 115.3 | H139 | N135-H139 PolarHBondContact O-N 2.98Š| ||
| 136 | L | 60.7 | Low | 56.6 | Low | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -62.8 | -41.8 | -177.9 | -134.7 | 72.8 | 0 | 0 | 0 | 114 | K138 H139 V140 | L136-K138 PolarHBondContact O-N 3.46Å; L136-H139 PolarHBondContact O-N 2.85Å; L136-V140 HydrophobicContact CG-CG2 4.4Å; L136-V140 WeakPolarHBondContact O-CB 3.37Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.8Å |
| 137 | P | 61 | Low | 57.9 | Low | 72 Ų | 72 | 131 Ų | 131 | 47% | 0.468 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | -175.4 | -23.9 | 34.2 | 0 | 0 | 0 | 113.3 | H139 M141 | P137-H139 VanDerWaalsContact C-N 3.33Å; P137-H139 PolarHBondContact O-N 3.39Å; P137-M141 WeakPolarHBondContact O-CG 3.34Å; P137-M141 PolarHBondContact O-N 2.96Å |
| 138 | K | 57.9 | Low | 58.8 | Low | 151 Ų | 151 | 129.4 Ų | 129.4 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -33.5 | 178.8 | -67.4 | 177 | -177.5 | 169.1 | 0 | 112.1 | L136 R142 | L136-K138 PolarHBondContact O-N 3.46Å; K138-R142 PolarHBondContact O-N 3.04Å |
| 139 | H | 60.4 | Low | 59.8 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 54% | 0.537 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.1 | -40.1 | 179.4 | -132.5 | -91.9 | 0 | 0 | 0 | 111.7 | N135 L136 P137 R142 N143 | N135-H139 PolarHBondContact O-N 2.98Å; L136-H139 PolarHBondContact O-N 2.85Å; P137-H139 VanDerWaalsContact C-N 3.33Å; P137-H139 PolarHBondContact O-N 3.39Å; H139-R142 PolarHBondContact O-N 3.33Å; H139-N143 WeakPolarHBondContact O-CB 3.33Å; H139-N143 PolarHBondContact O-N 3.28Å |
| 140 | V | 64.5 | Low | 61.4 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.8 | -43.6 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | L136 R142 N143 N144 | L136-V140 HydrophobicContact CG-CG2 4.4Å; L136-V140 WeakPolarHBondContact O-CB 3.37Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.8Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.87Å; V140-N143 PolarHBondContact O-N 2.87Å; V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 3.48Å |
| 141 | M | 68.9 | Low | 62.3 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 67% | 0.665 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -38.8 | 177.3 | -74.1 | 164.7 | 175 | 0 | 0 | 112.5 | P137 N144 M145 | P137-M141 WeakPolarHBondContact O-CG 3.34Å; P137-M141 PolarHBondContact O-N 2.96Å; M141-N144 PolarHBondContact O-N 3.14Å; M141-M145 WeakPolarHBondContact O-CB 3.39Å; M141-M145 PolarHBondContact O-N 3Å |
| 142 | R | 66.3 | Low | 63 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 61% | 0.611 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.3 | -42.1 | 175.4 | -170.4 | -173.5 | -57.3 | 176.4 | 1.6 | 112.2 | K138 H139 V140 W146 | K138-R142 PolarHBondContact O-N 3.04Å; H139-R142 PolarHBondContact O-N 3.33Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.87Å; R142-W146 PolarHBondContact O-N 3.46Å |
| 143 | N | 69.1 | Low | 64.1 | Low | 111 Ų | 111 | 124.4 Ų | 124.4 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.2 | -38.6 | 179.8 | -143.8 | 54.2 | 0 | 0 | 0 | 111.4 | H139 V140 W146 Q147 | H139-N143 WeakPolarHBondContact O-CB 3.33Å; H139-N143 PolarHBondContact O-N 3.28Å; V140-N143 PolarHBondContact O-N 2.87Å; N143-W146 PolarHBondContact O-N 3.22Å; N143-Q147 WeakPolarHBondContact O-CB 3.4Å; N143-Q147 PolarHBondContact O-N 3.42Å |
| 144 | N | 73.7 | Confident | 64.4 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.2 | -36.2 | 178.6 | -145.2 | 56.9 | 0 | 0 | 0 | 112.1 | V140 M141 Q147 Q148 | V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 3.48Å; M141-N144 PolarHBondContact O-N 3.14Å; N144-Q147 PolarHBondContact O-N 2.62Å; N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 3.23Å |
| 145 | M | 71.9 | Confident | 64.6 | Low | 150 Ų | 150 | 125.1 Ų | 125.1 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.8 | -37.8 | 176.7 | -141.1 | 167.1 | 176.4 | 0 | 0 | 111.9 | M141 H149 | M141-M145 WeakPolarHBondContact O-CB 3.39Å; M141-M145 PolarHBondContact O-N 3Å; M145-H149 WeakPolarHBondContact O-CB 3.5Å; M145-H149 PolarHBondContact O-N 3.12Å; M145-H149 VanDerWaalsContact O-N 3.07Å |
| 146 | W | 71.4 | Confident | 64.6 | Low | 196 Ų | 196 | 126.8 Ų | 126.8 | 74% | 0.742 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.1 | -40.7 | 172.1 | -118.6 | 92.6 | 0 | 0 | 0 | 111.9 | R142 N143 H150 | R142-W146 PolarHBondContact O-N 3.46Å; N143-W146 PolarHBondContact O-N 3.22Å; W146-H150 WeakPolarHBondContact O-CB 3.5Å; W146-H150 PolarHBondContact O-N 3.49Å |
| 147 | Q | 73.2 | Confident | 64.1 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -71.4 | -35.8 | -179.8 | -160.4 | 162.8 | 51 | 0 | 0 | 112.5 | N143 N144 M151 | N143-Q147 WeakPolarHBondContact O-CB 3.4Å; N143-Q147 PolarHBondContact O-N 3.42Å; N144-Q147 PolarHBondContact O-N 2.62Å; Q147-M151 PolarHBondContact O-N 2.73Å; Q147-M151 VanDerWaalsContact O-N 3.08Å |
| 148 | Q | 68.3 | Low | 63.5 | Low | 123 Ų | 123 | 131 Ų | 131 | 58% | 0.575 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70 | -42.4 | 174.4 | -73.6 | -163.5 | 3.5 | 0 | 0 | 112.8 | N144 H150 M151 Q152 | N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 3.23Å; Q148-H150 VanDerWaalsContact C-N 3.27Å; Q148-H150 PolarHBondContact O-N 3.32Å; Q148-M151 PolarHBondContact O-N 3.42Å; Q148-Q152 PolarHBondContact O-N 3.35Å |
| 149 | H | 68.3 | Low | 63.2 | Low | 129 Ų | 129 | 127.2 Ų | 127.2 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64 | -35.7 | 176 | -172.7 | -97.3 | 0 | 0 | 0 | 111.8 | M145 | M145-H149 WeakPolarHBondContact O-CB 3.5Å; M145-H149 PolarHBondContact O-N 3.12Å; M145-H149 VanDerWaalsContact O-N 3.07Å |
| 150 | H | 67.6 | Low | 62.5 | Low | 103 Ų | 103 | 126.2 Ų | 126.2 | 48% | 0.477 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.6 | -39.6 | 175.9 | -174.1 | 73.7 | 0 | 0 | 0 | 112.8 | W146 Q148 Q153 | W146-H150 WeakPolarHBondContact O-CB 3.5Å; W146-H150 PolarHBondContact O-N 3.49Å; Q148-H150 VanDerWaalsContact C-N 3.27Å; Q148-H150 PolarHBondContact O-N 3.32Å; H150-Q153 PolarHBondContact O-N 3.15Å |
| 151 | M | 57.2 | Low | 61.3 | Low | 123 Ų | 123 | 131.7 Ų | 131.7 | 61% | 0.606 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.6 | -33.5 | 176.5 | -85.4 | -161.2 | -57.8 | 0 | 0 | 113.6 | Q147 Q148 Q153 L154 | Q147-M151 PolarHBondContact O-N 2.73Å; Q147-M151 VanDerWaalsContact O-N 3.08Å; Q148-M151 PolarHBondContact O-N 3.42Å; M151-Q153 PolarHBondContact O-N 3.5Å; M151-L154 PolarHBondContact O-N 2.86Å; M151-L154 VanDerWaalsContact O-N 3.12Å |
| 152 | Q | 63 | Low | 60.1 | Low | 143 Ų | 143 | 130.7 Ų | 130.7 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.4 | -19.2 | 178.4 | -168.5 | 158.4 | 72.8 | 0 | 0 | 113.2 | Q148 Q156 | Q148-Q152 PolarHBondContact O-N 3.35Å; Q152-Q156 PolarHBondContact O-NE2 3.33Å |
| 153 | Q | 61.2 | Low | 58.9 | Low | 122 Ų | 122 | 132 Ų | 132 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.9 | -24.4 | 174.1 | -164.3 | 167.3 | 86.5 | 0 | 0 | 112.7 | H150 M151 | H150-Q153 PolarHBondContact O-N 3.15Å; M151-Q153 PolarHBondContact O-N 3.5Å |
| 154 | L | 56.6 | Low | 57.3 | Low | 100 Ų | 100 | 131.5 Ų | 131.5 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -82.5 | -15 | 179.8 | -74.4 | 162.1 | 0 | 0 | 0 | 113.7 | M151 | M151-L154 PolarHBondContact O-N 2.86Å; M151-L154 VanDerWaalsContact O-N 3.12Å |
| 155 | E | 57.2 | Low | 55.5 | Low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83.1 | -16.5 | 177.5 | -159.1 | 152.1 | 123.4 | 0 | 0 | 113.3 | ||
| 156 | Q | 57.5 | Low | 54.2 | Low | 152 Ų | 152 | 138.4 Ų | 138.4 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -7.9 | -179 | -65.7 | 172.4 | 74 | 0 | 0 | 113.3 | Q152 | Q152-Q156 PolarHBondContact O-NE2 3.33Š|
| 157 | L | 50.4 | Low | 52.4 | Low | 143 Ų | 143 | 139.6 Ų | 139.6 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -0.9 | -178.5 | -68.8 | 173.8 | 0 | 0 | 0 | 114.5 | ||
| 158 | N | 49.4 | Very low | 50.5 | Low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -105.3 | 3.9 | 176.3 | -92 | -27.8 | 0 | 0 | 0 | 114.7 | ||
| 159 | G | 51.2 | Low | 48.8 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -89 | -2.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 160 | A | 45.7 | Very low | 47.6 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -127.2 | 45 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 161 | F | 38.9 | Very low | 45.9 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | -158.4 | 73.2 | 159.6 | -151.6 | -99.8 | 0 | 0 | 0 | 112.9 | ||||
| 162 | S | 44.6 | Very low | 45 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -141.9 | 75.7 | 163.6 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 163 | K | 40.3 | Very low | 43.7 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -134.9 | 114.3 | 151.5 | -78.5 | -167.4 | 179 | 175.9 | 0 | 111.3 | ||||
| 164 | S | 36.7 | Very low | 42.4 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 56.2 | 104.6 | 140.3 | 60.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 165 | F | 35.8 | Very low | 41.3 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -138.3 | 107 | 138.7 | -105.8 | -84.1 | 0 | 0 | 0 | 111.1 | R167 | F165-R167 PolarHBondContact O-N 2.79Š| ||
| 166 | Q | 43.4 | Very low | 40.2 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -36.2 | 121.2 | 162.3 | -166.8 | 98.8 | -19 | 0 | 0 | 111.8 | ||||
| 167 | R | 33.3 | Very low | 39.1 | Very low | 222 Ų | 222 | 139.7 Ų | 139.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 97.4 | 170.7 | -151.3 | 176.7 | -175.9 | -85.2 | 1.6 | 108.6 | F165 | F165-R167 PolarHBondContact O-N 2.79Š| ||
| 168 | Q | 34.9 | Very low | 38.3 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | -88.2 | 142.7 | 160.2 | -81.1 | 177.5 | 3.5 | 0 | 0 | 108.6 | ||||
| 169 | S | 32.2 | Very low | 37.6 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 60% | 0.601 | 80% | 0.804 | S | S | * | * | trans | -130.3 | 140.3 | 166.9 | -60.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 170 | P | 41.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 150.7 | -165.2 | 33.5 | -36.6 | 0 | 0 | 0 | 113.1 | ||
| 171 | A | 33 | Very low | 36.3 | Very low | 106 Ų | 106 | 153 Ų | 153 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 172 | V | 38.1 | Very low | 36.3 | Very low | 142 Ų | 142 | 150.2 Ų | 150.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122.6 | 165.8 | 171.5 | 0 | 0 | 0 | 0 | 107.5 | ||
| 173 | G | 34.9 | Very low | 35.9 | Very low | 71 Ų | 71 | 151.9 Ų | 151.9 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 136.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 174 | N | 34 | Very low | 35.6 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -140.9 | 143.1 | 155.6 | -156.3 | 15.7 | 0 | 0 | 0 | 111.9 | ||||
| 175 | S | 33.8 | Very low | 35.5 | Very low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | -56.5 | 159.1 | 177 | 57.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 176 | G | 33.9 | Very low | 35.6 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 131.4 | 93.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 177 | R | 35.8 | Very low | 35.4 | Very low | 250 Ų | 250 | 143.7 Ų | 143.7 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | 65.5 | 90.4 | 83.2 | -159.9 | 179.2 | -172.8 | 174.8 | 2.1 | 111.9 | |||||
| 178 | E | 33.5 | Very low | 35.4 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -87.5 | 124.5 | 171.2 | -63.6 | 176.6 | 147.3 | 0 | 0 | 109.8 | ||||
| 179 | E | 34.6 | Very low | 35.3 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -153.6 | 124.2 | 152.6 | -155.3 | 175.6 | 121.8 | 0 | 0 | 111.9 | ||||
| 180 | L | 36.5 | Very low | 35.6 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -8.6 | 128.6 | 161.3 | -124.8 | 80.8 | 0 | 0 | 0 | 120.4 | ||||
| 181 | R | 32.8 | Very low | 35.5 | Very low | 221 Ų | 221 | 146.7 Ų | 146.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | 160.6 | 111.6 | 123.6 | -94.1 | 176 | 152.2 | 171.5 | -6.1 | 109.2 | |||||
| 182 | Q | 38.2 | Very low | 35.5 | Very low | 138 Ų | 138 | 152.3 Ų | 152.3 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | 65.3 | 119.9 | 89.6 | -86 | 161.3 | 53.6 | 0 | 0 | 115 | |||||
| 183 | Q | 35.5 | Very low | 35.4 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 99.2 | 126.8 | 137.7 | -77 | 172 | 65.9 | 0 | 0 | 119.3 | ||||
| 184 | D | 33.9 | Very low | 35.8 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 65 | 138.2 | 152.5 | -50.8 | -40.9 | 0 | 0 | 0 | 117.3 | ||||
| 185 | G | 35.8 | Very low | 35.7 | Very low | 58 Ų | 58 | 155.5 Ų | 155.5 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | cis | 152.1 | 127.2 | 16.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 186 | D | 37.6 | Very low | 35.7 | Very low | 128 Ų | 128 | 157.4 Ų | 157.4 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | 53.2 | 127.2 | 155.4 | -58 | -63.1 | 0 | 0 | 0 | 121.6 | ||||
| 187 | H | 40.2 | Very low | 35.8 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | 161.1 | 120 | 102.7 | -82 | -76.5 | 0 | 0 | 0 | 111 | |||||
| 188 | Y | 32.9 | Very low | 35.8 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 10.5 | 150.7 | 142.1 | -50.4 | -86.5 | 0 | 0 | 0 | 118.4 | ||||
| 189 | R | 32.4 | Very low | 35.8 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | 172.2 | 158.2 | 13.2 | -122.4 | 173.6 | 140.1 | 178.4 | -8.8 | 106.3 | ||||
| 190 | H | 38.3 | Very low | 35.7 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 60.9 | 118.9 | 149.9 | -66.9 | -61.6 | 0 | 0 | 0 | 119.4 | ||||
| 191 | D | 38.8 | Very low | 35.9 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 56.5 | 106.3 | 77.5 | -160.1 | -78.3 | 0 | 0 | 0 | 113.6 | |||||
| 192 | R | 33.2 | Very low | 36.1 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | -177.7 | 131 | 128.5 | -124.4 | -173.5 | 169.7 | 173.8 | -4.6 | 114.9 | |||||
| 193 | S | 36.7 | Very low | 36.2 | Very low | 83 Ų | 83 | 148.7 Ų | 148.7 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | trans | 46.4 | 127 | 130.9 | 65.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 194 | Q | 42.5 | Very low | 35.9 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | 33.9 | 122.6 | 127.2 | -63.1 | -177.9 | 20.6 | 0 | 0 | 118.6 | |||||
| 195 | M | 33.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | 167.7 | 135.3 | 109 | -92.9 | -178.4 | 156.1 | 0 | 0 | 112.8 | |||||
| 196 | N | 32.3 | Very low | 35.9 | Very low | 147 Ų | 147 | 155.8 Ų | 155.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 84 | 135 | 130.5 | -158.6 | 34.3 | 0 | 0 | 0 | 122.6 | ||||
| 197 | S | 36.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 157.2 Ų | 157.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 92.6 | 126.5 | 138.3 | 64.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 198 | G | 35 | Very low | 35.7 | Very low | 81 Ų | 81 | 157.7 Ų | 157.7 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 82.5 | 112 | 148.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 199 | G | 33.8 | Very low | 35.7 | Very low | 78 Ų | 78 | 151.9 Ų | 151.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | 88.9 | 92.7 | 35.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 200 | R | 33.3 | Very low | 36.1 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -179.2 | 136.1 | 139.7 | -120.8 | -176.2 | 164.1 | 162.3 | -5.4 | 115.6 | ||||
| 201 | S | 39.6 | Very low | 35.9 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | 85.7 | 89 | 136.8 | -68.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 202 | Q | 38.8 | Very low | 35.8 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -61.8 | 143.2 | 134.4 | -72.7 | 169.6 | -21.1 | 0 | 0 | 110 | ||||
| 203 | R | 39.2 | Very low | 36.1 | Very low | 230 Ų | 230 | 149.8 Ų | 149.8 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -112.1 | 119.8 | 169.4 | -68.9 | -173.5 | -170.4 | -176.8 | 3.1 | 109.6 | ||||
| 204 | H | 30.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 153 Ų | 153 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -84.8 | 148.3 | 169.6 | -171.8 | -144.7 | 0 | 0 | 0 | 109 | D206 | H204-D206 IonicContact CE1-OD1 3.16Å; H204-D206 PolarHBondContact CE1-OD1 3.4Å; H204-D206 VanDerWaalsContact CE1-OD1 3.25Å; H204-D206 IonicContact CE1-OD2 2.76Å; H204-D206 PolarHBondContact CE1-OD2 3.31Å; H204-D206 IonicContact CG-OD2 3.08Å; H204-D206 IonicContact ND1-OD1 2.79Å; H204-D206 IonicContact ND1-OD2 3.26Å; H204-D206 PolarHBondContact ND1-OD2 2.76Å | ||
| 205 | W | 32.3 | Very low | 36 | Very low | 244 Ų | 244 | 151.6 Ų | 151.6 | 92% | 0.924 | 79% | 0.794 | S | S | * | * | trans | -114.2 | 115.5 | 171.3 | -72.7 | 100.8 | 0 | 0 | 0 | 108.5 | ||||
| 206 | D | 36.6 | Very low | 36 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | trans | -111 | 127.3 | 169.9 | -71.4 | -69 | 0 | 0 | 0 | 109 | H204 | H204-D206 IonicContact CE1-OD1 3.16Å; H204-D206 PolarHBondContact CE1-OD1 3.4Å; H204-D206 VanDerWaalsContact CE1-OD1 3.25Å; H204-D206 IonicContact CE1-OD2 2.76Å; H204-D206 PolarHBondContact CE1-OD2 3.31Å; H204-D206 IonicContact CG-OD2 3.08Å; H204-D206 IonicContact ND1-OD1 2.79Å; H204-D206 IonicContact ND1-OD2 3.26Å; H204-D206 PolarHBondContact ND1-OD2 2.76Å | ||
| 207 | E | 33.3 | Very low | 36.3 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | 31.9 | 151.6 | 123.6 | -84 | 169.8 | 32.3 | 0 | 0 | 121.1 | |||||
| 208 | H | 40.1 | Very low | 36.5 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -170 | 166 | 14.9 | -108.8 | -53.5 | 0 | 0 | 0 | 108.9 | ||||
| 209 | G | 33.1 | Very low | 36.5 | Very low | 65 Ų | 65 | 154.1 Ų | 154.1 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | 134.7 | 93 | 138.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 210 | S | 41.3 | Very low | 36.6 | Very low | 131 Ų | 131 | 161.5 Ų | 161.5 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | 47.7 | 132.5 | 133.4 | 67.4 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 211 | G | 33.8 | Very low | 36.7 | Very low | 83 Ų | 83 | 158.1 Ų | 158.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 170 | 124.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 212 | R | 35.9 | Very low | 36.3 | Very low | 249 Ų | 249 | 159.2 Ų | 159.2 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -78.4 | 152.8 | -174.1 | -68.2 | 169.7 | 167.3 | 168 | -5.4 | 115.4 | ||||
| 213 | H | 40.5 | Very low | 36.2 | Very low | 192 Ų | 192 | 160.7 Ų | 160.7 | 89% | 0.889 | 79% | 0.787 | S | S | * | * | -168.7 | 155.8 | 125.5 | -137.6 | 115.5 | 0 | 0 | 0 | 112.8 | |||||
| 214 | Q | 40 | Very low | 36.3 | Very low | 150 Ų | 150 | 156.5 Ų | 156.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -106.6 | 161.1 | -167.2 | -115.4 | 169 | 34.8 | 0 | 0 | 114.1 | ||||
| 215 | Q | 36.3 | Very low | 36.9 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | trans | 73.8 | 122 | 147.9 | -66 | 179.7 | 62.7 | 0 | 0 | 121.1 | ||||
| 216 | H | 34.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | -177.7 | 146.2 | 109 | -86.8 | 164.7 | 0 | 0 | 0 | 113.6 | |||||
| 217 | S | 37 | Very low | 37.1 | Very low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -108.6 | 137.9 | -178.7 | -22.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 218 | H | 41.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -141.1 | 111.5 | 165.3 | -42.8 | -69.6 | 0 | 0 | 0 | 111.4 | ||||
| 219 | S | 35 | Very low | 37.5 | Very low | 113 Ų | 113 | 158.3 Ų | 158.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -85.2 | 151.8 | 159.2 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 220 | R | 35.9 | Very low | 37.7 | Very low | 233 Ų | 233 | 160.9 Ų | 160.9 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | 164.6 | 111.3 | 142 | -91.5 | 167.7 | -174 | -159.9 | 2.7 | 108.6 | ||||
| 221 | E | 35.1 | Very low | 37.8 | Very low | 169 Ų | 169 | 160.5 Ų | 160.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 70.8 | 114.4 | 82.6 | -93.5 | 174.9 | 123.1 | 0 | 0 | 116.5 | |||||
| 222 | N | 32.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 160 Ų | 160 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | 70.1 | 108.5 | 120.9 | -137.6 | 26.6 | 0 | 0 | 0 | 120.6 | |||||
| 223 | Y | 37 | Very low | 38.6 | Very low | 229 Ų | 229 | 155.3 Ų | 155.3 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -140.5 | 117.3 | 143.8 | -78.7 | -74.9 | 0 | 0 | 0 | 110.9 | ||||
| 224 | H | 40.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 157.8 Ų | 157.8 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 143.5 | 163.2 | -79.4 | -103.3 | 0 | 0 | 0 | 110.1 | ||||
| 225 | H | 42.9 | Very low | 39 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -144.8 | 127.1 | 144.7 | -96.3 | -69.4 | 0 | 0 | 0 | 110.6 | ||||
| 226 | Q | 37.9 | Very low | 39.5 | Very low | 154 Ų | 154 | 160.3 Ų | 160.3 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -89.6 | 155 | 176 | -78.8 | 177.7 | -2.3 | 0 | 0 | 111.3 | ||||
| 227 | N | 36.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 56.8 | 125.3 | 148.2 | -60.3 | -20.4 | 0 | 0 | 0 | 119 | ||||
| 228 | D | 44.9 | Very low | 40 | Very low | 161 Ų | 161 | 158.3 Ų | 158.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -166.9 | 157.7 | 99.8 | -102.4 | -51.4 | 0 | 0 | 0 | 113.7 | |||||
| 229 | R | 36.9 | Very low | 39.8 | Very low | 232 Ų | 232 | 161.9 Ų | 161.9 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | trans | -82.4 | 157.9 | -169.5 | -62.7 | 167.5 | 170.4 | 163.8 | -3.6 | 112.1 | ||||
| 230 | S | 36.3 | Very low | 40 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | 114.8 | 128.3 | 128.7 | -144.6 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 231 | S | 44 | Very low | 40.2 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | 80 | 121.3 | 145 | -155.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 232 | G | 41.3 | Very low | 40.5 | Very low | 72 Ų | 72 | 153.7 Ų | 153.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 164.8 | 67.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R234 | G232-R234 PolarHBondContact O-N 3.36Š| ||
| 233 | N | 43.9 | Very low | 41 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -47.8 | 133.5 | 158.9 | -101.2 | 34.7 | 0 | 0 | 0 | 110.7 | ||||
| 234 | R | 42.6 | Very low | 41.1 | Very low | 243 Ų | 243 | 149.9 Ų | 149.9 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -161.9 | 111.1 | 143.4 | -110.7 | 175.9 | -89.5 | -173.6 | -3.2 | 111.3 | G232 | G232-R234 PolarHBondContact O-N 3.36Š| ||
| 235 | H | 48.1 | Very low | 41.7 | Very low | 162 Ų | 162 | 151 Ų | 151 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | trans | -60 | 144 | 162.3 | -84.5 | -151.1 | 0 | 0 | 0 | 110.9 | ||||
| 236 | H | 46.2 | Very low | 41.5 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -158.6 | 137.4 | 140.9 | -126.4 | -84.6 | 0 | 0 | 0 | 111.2 | ||||
| 237 | D | 40.8 | Very low | 41.6 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 67% | 0.668 | 81% | 0.813 | S | S | * | * | trans | -81.7 | 150.5 | -170.3 | -58.2 | -77.6 | 0 | 0 | 0 | 115 | ||||
| 238 | S | 39.8 | Very low | 41.8 | Very low | 103 Ų | 103 | 152 Ų | 152 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | 53.1 | 114.8 | 139 | -57.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 239 | R | 38.4 | Very low | 41.5 | Very low | 245 Ų | 245 | 147.2 Ų | 147.2 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | 164.5 | 128 | 109.7 | -90.2 | 171.2 | 178.1 | -177.3 | 0 | 112.2 | |||||
| 240 | G | 39 | Very low | 42 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 74.9 | 104.3 | 140.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 241 | G | 40.5 | Very low | 42.4 | Very low | 76 Ų | 76 | 149 Ų | 149 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 173.8 | 74 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G243 | G241-G243 VanDerWaalsContact C-N 3.34Å; G241-G243 PolarHBondContact O-N 3.26Å | ||
| 242 | N | 40.8 | Very low | 42.3 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 87.8 | 177.2 | -148.1 | 28.4 | 0 | 0 | 0 | 108.8 | ||||
| 243 | G | 43.5 | Very low | 42.7 | Very low | 60 Ų | 60 | 148.4 Ų | 148.4 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | trans | -124.2 | 106.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | G241 | G241-G243 VanDerWaalsContact C-N 3.34Å; G241-G243 PolarHBondContact O-N 3.26Å | ||
| 244 | R | 39.4 | Very low | 42.6 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -149.4 | 95.7 | 156.7 | -75.8 | -153.9 | -175.3 | -174.8 | -2 | 110.5 | E246 | R244-E246 VanDerWaalsContact C-N 3.34Å; R244-E246 HydrophobicContact CB-CG 4.5Å; R244-E246 WeakPolarHBondContact CD-OE2 3.36Å; R244-E246 IonicContact CZ-OE2 3.86Å; R244-E246 IonicContact NE-OE2 2.73Å; R244-E246 IonicContact NH1-OE1 3.92Å; R244-E246 IonicContact NH1-OE2 3.9Å; R244-E246 PolarHBondContact NH1-OE2 3.45Å; R244-E246 VanDerWaalsContact NH1-OE2 3.08Å; R244-E246 PolarHBondContact O-N 3.5Å; R244-E246 VanDerWaalsContact O-N 3.15Å | ||
| 245 | D | 51.3 | Low | 42.7 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -57.1 | 97.7 | 143.4 | -54.9 | -78.3 | 0 | 0 | 0 | 108.4 | ||||
| 246 | E | 39.6 | Very low | 42.5 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | trans | -124.4 | 102.7 | 166.5 | -87.8 | -179 | 120.8 | 0 | 0 | 109.1 | R244 A248 | R244-E246 VanDerWaalsContact C-N 3.34Å; R244-E246 HydrophobicContact CB-CG 4.5Å; R244-E246 WeakPolarHBondContact CD-OE2 3.36Å; R244-E246 IonicContact CZ-OE2 3.86Å; R244-E246 IonicContact NE-OE2 2.73Å; R244-E246 IonicContact NH1-OE1 3.92Å; R244-E246 IonicContact NH1-OE2 3.9Å; R244-E246 PolarHBondContact NH1-OE2 3.45Å; R244-E246 VanDerWaalsContact NH1-OE2 3.08Å; R244-E246 PolarHBondContact O-N 3.5Å; R244-E246 VanDerWaalsContact O-N 3.15Å; E246-A248 PolarHBondContact O-N 3.46Å | ||
| 247 | W | 39.6 | Very low | 42.6 | Very low | 263 Ų | 263 | 138.1 Ų | 138.1 | 100% | 0.996 | 75% | 0.751 | S | S | * | * | trans | -44.6 | 99.5 | 161 | -95 | 45 | 0 | 0 | 0 | 110.9 | G249 | W247-G249 VanDerWaalsContact C-N 3.32Å; W247-G249 PolarHBondContact O-N 2.81Å | ||
| 248 | A | 41.4 | Very low | 42.6 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -79.9 | 85.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | E246 | E246-A248 PolarHBondContact O-N 3.46Š| ||
| 249 | G | 38.2 | Very low | 43.3 | Very low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | trans | -60.4 | 144.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W247 | W247-G249 VanDerWaalsContact C-N 3.32Å; W247-G249 PolarHBondContact O-N 2.81Å | ||
| 250 | N | 47.4 | Very low | 43.8 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | 73.2 | 51.6 | 140.3 | -138.9 | 19.9 | 0 | 0 | 0 | 119.3 | ||||
| 251 | R | 45.2 | Very low | 44.2 | Very low | 249 Ų | 249 | 135.2 Ų | 135.2 | 94% | 0.94 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -128.9 | 28.3 | 163.2 | -83.5 | -162.7 | -78.1 | 177.1 | -5.5 | 115.6 | ||
| 252 | G | 40.9 | Very low | 44.4 | Very low | 46 Ų | 46 | 142.6 Ų | 142.6 | 47% | 0.474 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -114.4 | -7.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | K254 Y256 | G252-K254 PolarHBondContact O-N 2.96Å; G252-Y256 VanDerWaalsContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CE2 2.98Å |
| 253 | L | 49.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 72% | 0.723 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -8.3 | -163 | -125.8 | 102.6 | 0 | 0 | 0 | 116 | ||
| 254 | K | 42.9 | Very low | 44.7 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -24 | -175.2 | -68.3 | -169.9 | 176.3 | -175.2 | 0 | 114 | G252 | G252-K254 PolarHBondContact O-N 2.96Š|
| 255 | E | 43.8 | Very low | 45 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.3 | -20.7 | -176.8 | -147.1 | -179.4 | 151.6 | 0 | 0 | 113.2 | A257 | E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.15Å |
| 256 | Y | 44 | Very low | 44.7 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 38% | 0.376 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -81.6 | -12 | 179.6 | -65.2 | -81.2 | 0 | 0 | 0 | 114.2 | G252 H258 | G252-Y256 VanDerWaalsContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CE2 2.98Å; Y256-H258 VanDerWaalsContact C-N 3.3Å; Y256-H258 PolarHBondContact O-N 3.05Å |
| 257 | A | 49.6 | Very low | 45 | Very low | 76 Ų | 76 | 143 Ų | 143 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -70.8 | -24.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E255 | E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.15Å |
| 258 | H | 40.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 63% | 0.625 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -87.4 | -11.5 | -179 | -66.7 | -74.2 | 0 | 0 | 0 | 114.1 | Y256 W260 | Y256-H258 VanDerWaalsContact C-N 3.3Å; Y256-H258 PolarHBondContact O-N 3.05Å; H258-W260 PolarHBondContact O-N 3.01Å |
| 259 | R | 53.7 | Low | 45.6 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 42% | 0.415 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.5 | -10.6 | -170.3 | -167.3 | 172.6 | -73.2 | -166.3 | -4.5 | 114.6 | E6 | E6-R259 IonicContact OE2-NH1 3.49Å; E6-R259 PolarHBondContact OE2-NH1 3.08Å |
| 260 | W | 48.9 | Very low | 46.1 | Very low | 45 Ų | 45 | 143.4 Ų | 143.4 | 17% | 0.17 | 65% | 0.647 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | 3.9 | -173.5 | -61.1 | 106.2 | 0 | 0 | 0 | 114.9 | F53 H258 R262 Y263 | F53-W260 HydrophobicContact CB-CH2 4.45Å; F53-W260 HydrophobicContact CD1-CH2 4.29Å; F53-W260 HydrophobicContact CD1-CZ3 4.33Å; F53-W260 HydrophobicContact CD2-CE3 4.34Å; F53-W260 AromaticContact CD2-CH2 3.95Å; F53-W260 HydrophobicContact CD2-CH2 3.95Å; F53-W260 AromaticContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CE1-CZ3 4.17Å; F53-W260 AromaticContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CH2 4.24Å; F53-W260 AromaticContact CE2-CZ3 3.61Å; F53-W260 HydrophobicContact CE2-CZ3 3.61Å; F53-W260 AromaticContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CZ3 4.15Å; F53-W260 HydrophobicContact CZ-CE3 4.46Å; F53-W260 AromaticContact CZ-CZ3 3.82Å; F53-W260 HydrophobicContact CZ-CZ3 3.82Å; H258-W260 PolarHBondContact O-N 3.01Å; W260-R262 PolarHBondContact O-N 3.45Å; W260-R262 VanDerWaalsContact O-N 3.12Å; W260-Y263 HydrophobicContact CE3-CD2 4.23Å; W260-Y263 HydrophobicContact CE3-CE2 4.35Å; W260-Y263 HydrophobicContact CZ3-CE2 4.4Å |
| 261 | R | 47 | Very low | 46 | Very low | 210 Ų | 210 | 143.8 Ų | 143.8 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 9.7 | -178.3 | -151.8 | -169.6 | -79 | -178.1 | -6.1 | 114.2 | ||
| 262 | R | 46.1 | Very low | 46 | Very low | 230 Ų | 230 | 135.1 Ų | 135.1 | 87% | 0.868 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 25.4 | -174.8 | -75.5 | -110.4 | -82.1 | -175.6 | -5.6 | 113.6 | W260 | W260-R262 PolarHBondContact O-N 3.45Å; W260-R262 VanDerWaalsContact O-N 3.12Å |
| 263 | Y | 45.5 | Very low | 46.5 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 70% | 0.698 | 63% | 0.627 | S | S | * | * | trans | -138.4 | 0 | 172 | -61.1 | -78.5 | 0 | 0 | 0 | 111.6 | R84 W260 | R84-Y263 PolarHBondContact NH2-OH 3.27Å; W260-Y263 HydrophobicContact CE3-CD2 4.23Å; W260-Y263 HydrophobicContact CE3-CE2 4.35Å; W260-Y263 HydrophobicContact CZ3-CE2 4.4Å |
Retrieved 263 of 263 residues in 78 ms
(Link to these results)