| 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 | 78.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.069 | 21% | 0.207 | C | C | . | . | 0 | 140.9 | 0 | -54 | 170.7 | -83.4 | 0 | 0 | 108.9 | E212 V213 A214 Q215 A348 Y377 Q378 | M1-E212 WeakPolarHBondContact CG-O 3.42Å; M1-E212 PolarHBondContact N-O 3.29Å; M1-V213 VanDerWaalsContact CE-O 3.23Å; M1-V213 WeakPolarHBondContact CE-O 3.36Å; M1-V213 VanDerWaalsContact SD-O 3.35Å; M1-A214 VanDerWaalsContact CE-C 3.45Å; M1-Q215 HydrophobicContact CE-CG 3.6Å; M1-A348 HydrophobicContact SD-CB 3.97Å; M1-Y377 HydrophobicContact CB-CD1 3.4Å; M1-Y377 HydrophobicContact CB-CE1 3.11Å; M1-Y377 HydrophobicContact CB-CG 4.49Å; M1-Y377 HydrophobicContact CG-CD1 4.36Å; M1-Y377 HydrophobicContact CG-CE1 4.28Å; M1-Y377 PolarHBondContact O-OH 3.05Å; M1-Y377 HydrophobicContact SD-CD1 4.4Å; M1-Y377 HydrophobicContact SD-CE1 4.34Å; M1-Q378 HydrophobicContact CG-CG 4.18Å; M1-Q378 HydrophobicContact SD-CG 3.74Å | |||
| 2 | V | 86.6 | Confident | 90.2 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | trans | -153.6 | 154.1 | -173 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | F105 L108 T109 Y377 | V2-F105 HydrophobicContact CG1-CE2 4.22Å; V2-L108 HydrophobicContact CB-CD2 3.89Å; V2-L108 HydrophobicContact CB-CG 3.95Å; V2-L108 HydrophobicContact CG1-CB 4.46Å; V2-L108 HydrophobicContact CG1-CD2 3.93Å; V2-L108 HydrophobicContact CG1-CG 3.89Å; V2-L108 HydrophobicContact CG2-CD2 4.32Å; V2-T109 HydrophobicContact CG1-CG2 4Å; V2-Y377 PolarHBondContact N-O 3.2Å; V2-Y377 WeakPolarHBondContact O-CD2 3.3Å | ||
| 3 | V | 92.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | trans | -73 | 162.6 | 167.2 | -73.6 | 0 | 0 | 0 | 0 | 112 | L5 F8 L108 I111 G112 Y377 | V3-L5 PolarHBondContact O-N 3.46Å; V3-F8 HydrophobicContact CG2-CE2 3.59Å; V3-F8 HydrophobicContact CG2-CZ 3.77Å; V3-L108 HydrophobicContact CG2-CD1 3.66Å; V3-I111 HydrophobicContact CG2-CB 4.37Å; V3-I111 HydrophobicContact CG2-CG2 3.88Å; V3-G112 WeakPolarHBondContact CG1-O 3.25Å; V3-Y377 HydrophobicContact CG1-CD2 3.93Å; V3-Y377 HydrophobicContact CG1-CE2 3.9Å | ||
| 4 | D | 92.1 | Very high | 90.1 | Very high | 35 Ų | 35 | 46 Ų | 46 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | trans | -62.7 | 129.5 | 175.3 | -160.8 | -18.5 | 0 | 0 | 0 | 111.9 | D6 L7 F8 R380 | D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 2.9Å; D4-D6 PolarHBondContact OD1-N 3.21Å; D4-L7 HydrophobicContact CB-CD1 3.94Å; D4-L7 HydrophobicContact CB-CG 3.96Å; D4-L7 WeakPolarHBondContact O-CB 2.9Å; D4-L7 PolarHBondContact O-N 3.39Å; D4-F8 WeakPolarHBondContact O-CD2 3.42Å; D4-F8 WeakPolarHBondContact O-CE2 3.27Å; D4-R380 IonicContact OD1-CZ 2.69Å; D4-R380 IonicContact OD1-NH1 2.92Å; D4-R380 PolarHBondContact OD1-NH1 3.1Å; D4-R380 VanDerWaalsContact OD1-NH1 3.13Å; D4-R380 IonicContact OD2-CZ 2.74Å; D4-R380 IonicContact OD2-NH1 2.67Å; D4-R380 PolarHBondContact OD2-NH1 3.39Å; D4-R380 IonicContact OD2-NH2 3.64Å; D4-R380 PolarHBondContact OD2-NH2 2.97Å | ||
| 5 | L | 92.6 | Very high | 90.3 | Very high | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -69 | -27.9 | 176.4 | -172.2 | 58.7 | 0 | 0 | 0 | 112 | V3 L7 F8 R9 V36 D40 R104 | V3-L5 PolarHBondContact O-N 3.46Å; L5-L7 PolarHBondContact O-N 3.08Å; L5-F8 HydrophobicContact CD1-CD2 4.32Å; L5-F8 WeakPolarHBondContact O-CB 3.24Å; L5-F8 PolarHBondContact O-N 3.19Å; L5-F8 VanDerWaalsContact O-N 3.1Å; L5-R9 VanDerWaalsContact CD2-NH2 3.26Å; L5-V36 HydrophobicContact CD1-CG1 4.03Å; L5-D40 HydrophobicContact CD1-CB 4.44Å; L5-R104 HydrophobicContact CD1-CG 4.46Å |
| 6 | D | 91.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -69.7 | -21 | 177.8 | -74.7 | -28 | 0 | 0 | 0 | 112.6 | D4 F8 R9 K12 G14 H397 | D4-D6 VanDerWaalsContact C-N 3.27Å; D4-D6 PolarHBondContact O-N 2.9Å; D4-D6 PolarHBondContact OD1-N 3.21Å; D6-F8 PolarHBondContact O-N 3.44Å; D6-R9 PolarHBondContact O-N 2.92Å; D6-R9 WeakPolarHBondContact OD1-CD 3.27Å; D6-R9 IonicContact OD1-CZ 3.55Å; D6-R9 IonicContact OD1-NE 3.76Å; D6-R9 IonicContact OD1-NH1 2.76Å; D6-R9 PolarHBondContact OD1-NH1 2.83Å; D6-K12 HydrophobicContact CB-CB 4.41Å; D6-G14 VanDerWaalsContact O-CA 3.29Å; D6-G14 WeakPolarHBondContact O-CA 3.36Å; D6-H397 IonicContact OD2-CE1 3.68Å; D6-H397 PolarHBondContact OD2-CE1 2.93Å; D6-H397 IonicContact OD2-ND1 3.24Å; D6-H397 PolarHBondContact OD2-ND1 2.95Å; D6-H397 VanDerWaalsContact OD2-ND1 3.16Å |
| 7 | L | 92.6 | Very high | 90.9 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -63.5 | -23.9 | 170.7 | -69.7 | 169.7 | 0 | 0 | 0 | 112.4 | D4 L5 R9 G14 N15 V16 I19 | D4-L7 HydrophobicContact CB-CD1 3.94Å; D4-L7 HydrophobicContact CB-CG 3.96Å; D4-L7 WeakPolarHBondContact O-CB 2.9Å; D4-L7 PolarHBondContact O-N 3.39Å; L5-L7 PolarHBondContact O-N 3.08Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-G14 CarbonylContact O-C 3.51Å; L7-G14 WeakPolarHBondContact O-CA 3.47Å; L7-N15 CarbonylContact O-C 3.52Å; L7-N15 PolarHBondContact O-N 3.44Å; L7-N15 VanDerWaalsContact O-N 3.12Å; L7-V16 PolarHBondContact O-N 3.26Å; L7-I19 HydrophobicContact CB-CD1 3.71Å; L7-I19 HydrophobicContact CB-CG1 4.35Å |
| 8 | F | 95 | Very high | 91.1 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -84.1 | -6.1 | 176.6 | -61.8 | -100.1 | 0 | 0 | 0 | 113.1 | V3 D4 L5 D6 V16 I19 V33 V36 V37 L108 I111 | V3-F8 HydrophobicContact CG2-CE2 3.59Å; V3-F8 HydrophobicContact CG2-CZ 3.77Å; D4-F8 WeakPolarHBondContact O-CD2 3.42Å; D4-F8 WeakPolarHBondContact O-CE2 3.27Å; L5-F8 HydrophobicContact CD1-CD2 4.32Å; L5-F8 WeakPolarHBondContact O-CB 3.24Å; L5-F8 PolarHBondContact O-N 3.19Å; L5-F8 VanDerWaalsContact O-N 3.1Å; D6-F8 PolarHBondContact O-N 3.44Å; F8-V16 WeakPolarHBondContact O-CG2 3.37Å; F8-I19 HydrophobicContact CD1-CD1 3.68Å; F8-I19 HydrophobicContact CD2-CD1 3.6Å; F8-I19 HydrophobicContact CE1-CD1 3.61Å; F8-I19 HydrophobicContact CE1-CG2 3.96Å; F8-I19 HydrophobicContact CE2-CD1 3.52Å; F8-I19 HydrophobicContact CG-CD1 3.69Å; F8-I19 HydrophobicContact CZ-CD1 3.53Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; F8-V33 HydrophobicContact CD1-CG1 4.24Å; F8-V33 HydrophobicContact CE1-CG1 4.04Å; F8-V36 HydrophobicContact CB-CG1 4.47Å; F8-V36 HydrophobicContact CD1-CB 4.04Å; F8-V36 HydrophobicContact CD1-CG1 3.55Å; F8-V36 HydrophobicContact CD2-CG1 4.17Å; F8-V36 HydrophobicContact CE1-CB 3.91Å; F8-V36 HydrophobicContact CE1-CG1 3.67Å; F8-V36 HydrophobicContact CE1-CG2 4.42Å; F8-V36 HydrophobicContact CE2-CG1 4.28Å; F8-V36 HydrophobicContact CG-CG1 3.81Å; F8-V36 HydrophobicContact CZ-CG1 4.04Å; F8-V37 HydrophobicContact CB-CG2 4.35Å; F8-V37 HydrophobicContact CD1-CG2 4.11Å; F8-L108 HydrophobicContact CD2-CD1 4.49Å; F8-L108 HydrophobicContact CE2-CD1 3.57Å; F8-L108 HydrophobicContact CZ-CD1 3.7Å; F8-I111 HydrophobicContact CE1-CD1 3.75Å; F8-I111 HydrophobicContact CZ-CD1 3.68Å; F8-I111 HydrophobicContact CZ-CG2 4.41Å |
| 9 | R | 93 | Very high | 91.3 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 13% | 0.125 | 27% | 0.267 | C | S | . | . | trans | -111.8 | 99.8 | -170.6 | -68.5 | 176.8 | -176.4 | 157.2 | -5.9 | 110.8 | L5 D6 L7 E11 K12 G14 D40 | L5-R9 VanDerWaalsContact CD2-NH2 3.26Å; D6-R9 PolarHBondContact O-N 2.92Å; D6-R9 WeakPolarHBondContact OD1-CD 3.27Å; D6-R9 IonicContact OD1-CZ 3.55Å; D6-R9 IonicContact OD1-NE 3.76Å; D6-R9 IonicContact OD1-NH1 2.76Å; D6-R9 PolarHBondContact OD1-NH1 2.83Å; L7-R9 VanDerWaalsContact C-N 3.32Å; R9-E11 WeakPolarHBondContact CB-OE1 3.42Å; R9-E11 PolarHBondContact O-N 2.97Å; R9-K12 HydrophobicContact CB-CB 3.94Å; R9-K12 HydrophobicContact CB-CG 3.96Å; R9-K12 WeakPolarHBondContact O-CA 3.4Å; R9-K12 WeakPolarHBondContact O-CB 3.48Å; R9-K12 PolarHBondContact O-N 3.11Å; R9-G14 WeakPolarHBondContact O-CA 3.47Å; R9-G14 PolarHBondContact O-N 3.45Å; R9-D40 IonicContact CZ-OD1 3.05Å; R9-D40 IonicContact CZ-OD2 3.62Å; R9-D40 IonicContact NE-OD1 3.63Å; R9-D40 IonicContact NE-OD2 2.81Å; R9-D40 PolarHBondContact NE-OD2 3.06Å; R9-D40 IonicContact NH2-OD1 3.03Å; R9-D40 PolarHBondContact NH2-OD1 3.02Å; R9-D40 IonicContact NH2-OD2 3.16Å | ||
| 10 | V | 90.8 | Very high | 91.6 | Very high | 106 Ų | 106 | 48.9 Ų | 48.9 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -57.4 | -38.3 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | K12 G13 V16 | V10-K12 PolarHBondContact O-N 3.38Å; V10-G13 PolarHBondContact O-N 3.27Å; V10-V16 HydrophobicContact CG2-CG2 4.14Å |
| 11 | E | 89.3 | Confident | 91.7 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -68 | -12.8 | 177.5 | 71.9 | -75.4 | -178.7 | 0 | 0 | 114.5 | R9 R44 | R9-E11 WeakPolarHBondContact CB-OE1 3.42Å; R9-E11 PolarHBondContact O-N 2.97Å; E11-R44 IonicContact OE1-CZ 3.03Å; E11-R44 IonicContact OE1-NE 2.75Å; E11-R44 IonicContact OE1-NH1 3.78Å; E11-R44 PolarHBondContact OE1-NH1 3.32Å; E11-R44 IonicContact OE1-NH2 2.88Å; E11-R44 PolarHBondContact OE1-NH2 3.26Å; E11-R44 IonicContact OE2-NH2 2.66Å |
| 12 | K | 87 | Confident | 92.5 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -100.3 | 6.7 | 173 | -67.5 | -65.6 | -168.5 | 169 | 0 | 112.5 | D6 R9 V10 G14 | D6-K12 HydrophobicContact CB-CB 4.41Å; R9-K12 HydrophobicContact CB-CB 3.94Å; R9-K12 HydrophobicContact CB-CG 3.96Å; R9-K12 WeakPolarHBondContact O-CA 3.4Å; R9-K12 WeakPolarHBondContact O-CB 3.48Å; R9-K12 PolarHBondContact O-N 3.11Å; V10-K12 PolarHBondContact O-N 3.38Å; K12-G14 VanDerWaalsContact C-N 3.3Å |
| 13 | G | 88.7 | Confident | 92.9 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 74% | 0.742 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 7.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V10 | V10-G13 PolarHBondContact O-N 3.27Š|
| 14 | G | 90.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 52.8 Ų | 52.8 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | trans | -65.9 | 149.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D6 L7 R9 K12 | D6-G14 VanDerWaalsContact O-CA 3.29Å; D6-G14 WeakPolarHBondContact O-CA 3.36Å; L7-G14 CarbonylContact O-C 3.51Å; L7-G14 WeakPolarHBondContact O-CA 3.47Å; R9-G14 WeakPolarHBondContact O-CA 3.47Å; R9-G14 PolarHBondContact O-N 3.45Å; K12-G14 VanDerWaalsContact C-N 3.3Å | ||
| 15 | N | 93.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 53.8 Ų | 53.8 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | trans | -115.5 | 93.7 | 177.6 | -174.5 | -5.6 | 0 | 0 | 0 | 110.4 | L7 E17 L18 | L7-N15 CarbonylContact O-C 3.52Å; L7-N15 PolarHBondContact O-N 3.44Å; L7-N15 VanDerWaalsContact O-N 3.12Å; N15-E17 PolarHBondContact O-N 2.93Å; N15-E17 WeakPolarHBondContact OD1-CB 3.21Å; N15-E17 PolarHBondContact OD1-N 2.92Å; N15-E17 VanDerWaalsContact OD1-N 3.14Å; N15-L18 HydrophobicContact CB-CB 4.1Å; N15-L18 WeakPolarHBondContact O-CB 3.48Å; N15-L18 PolarHBondContact O-N 3.46Å; N15-L18 PolarHBondContact OD1-N 3.44Å | ||
| 16 | V | 94.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | L7 F8 V10 L18 I19 R20 V33 V37 | L7-V16 PolarHBondContact O-N 3.26Å; F8-V16 WeakPolarHBondContact O-CG2 3.37Å; V10-V16 HydrophobicContact CG2-CG2 4.14Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 3.15Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.93Å; V16-I19 VanDerWaalsContact O-N 3.1Å; V16-R20 VanDerWaalsContact CG1-NH1 3.34Å; V16-R20 PolarHBondContact O-N 3.12Å; V16-V33 HydrophobicContact CG1-CG1 3.68Å; V16-V37 HydrophobicContact CG1-CG2 3.96Å; V16-V37 HydrophobicContact CG2-CG2 4.48Å |
| 17 | E | 94.9 | Very high | 93.4 | Very high | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 179.6 | -62.1 | -52.5 | 140.6 | 0 | 0 | 112.1 | N15 I19 R20 E21 | N15-E17 PolarHBondContact O-N 2.93Å; N15-E17 WeakPolarHBondContact OD1-CB 3.21Å; N15-E17 PolarHBondContact OD1-N 2.92Å; N15-E17 VanDerWaalsContact OD1-N 3.14Å; E17-I19 VanDerWaalsContact C-N 3.26Å; E17-I19 PolarHBondContact O-N 3.39Å; E17-R20 PolarHBondContact O-N 3.28Å; E17-R20 IonicContact OE1-CZ 2.73Å; E17-R20 IonicContact OE1-NH1 2.74Å; E17-R20 PolarHBondContact OE1-NH1 3.17Å; E17-R20 IonicContact OE2-NH1 3.12Å; E17-E21 WeakPolarHBondContact O-CB 3.46Å; E17-E21 PolarHBondContact O-N 2.88Å |
| 18 | L | 94.7 | Very high | 93.4 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 173.1 | 179.8 | 66 | 0 | 0 | 0 | 111.6 | N15 V16 S22 I114 | N15-L18 HydrophobicContact CB-CB 4.1Å; N15-L18 WeakPolarHBondContact O-CB 3.48Å; N15-L18 PolarHBondContact O-N 3.46Å; N15-L18 PolarHBondContact OD1-N 3.44Å; V16-L18 VanDerWaalsContact C-N 3.29Å; V16-L18 PolarHBondContact O-N 3.15Å; L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.25Å; L18-I114 HydrophobicContact CD1-CG2 4.33Å; L18-I114 HydrophobicContact CD2-CG2 4.38Å; L18-I114 HydrophobicContact CG-CD1 4.45Å; L18-I114 HydrophobicContact CG-CG2 4.29Å |
| 19 | I | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.4 | -42.5 | 177.7 | -52.5 | 175.5 | 0 | 0 | 0 | 110.1 | L7 F8 V16 E17 S22 Q23 V33 I111 I114 | L7-I19 HydrophobicContact CB-CD1 3.71Å; L7-I19 HydrophobicContact CB-CG1 4.35Å; F8-I19 HydrophobicContact CD1-CD1 3.68Å; F8-I19 HydrophobicContact CD2-CD1 3.6Å; F8-I19 HydrophobicContact CE1-CD1 3.61Å; F8-I19 HydrophobicContact CE1-CG2 3.96Å; F8-I19 HydrophobicContact CE2-CD1 3.52Å; F8-I19 HydrophobicContact CG-CD1 3.69Å; F8-I19 HydrophobicContact CZ-CD1 3.53Å; F8-I19 HydrophobicContact CZ-CG2 3.95Å; V16-I19 WeakPolarHBondContact O-CB 3.46Å; V16-I19 PolarHBondContact O-N 2.93Å; V16-I19 VanDerWaalsContact O-N 3.1Å; E17-I19 VanDerWaalsContact C-N 3.26Å; E17-I19 PolarHBondContact O-N 3.39Å; I19-S22 PolarHBondContact O-N 3.43Å; I19-Q23 HydrophobicContact CG2-CG 4.47Å; I19-Q23 WeakPolarHBondContact O-CB 3.48Å; I19-Q23 WeakPolarHBondContact O-CG 3.44Å; I19-Q23 PolarHBondContact O-N 3.48Å; I19-V33 HydrophobicContact CG2-CG1 4.35Å; I19-V33 HydrophobicContact CG2-CG2 4.02Å; I19-I111 HydrophobicContact CG2-CG2 3.9Å; I19-I114 HydrophobicContact CG1-CD1 4.3Å |
| 20 | R | 96 | Very high | 93.4 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175 | -69.1 | -171.8 | 177.8 | 103.6 | 4.8 | 111.6 | V16 E17 Q23 S24 L30 V33 D34 | V16-R20 VanDerWaalsContact CG1-NH1 3.34Å; V16-R20 PolarHBondContact O-N 3.12Å; E17-R20 PolarHBondContact O-N 3.28Å; E17-R20 IonicContact OE1-CZ 2.73Å; E17-R20 IonicContact OE1-NH1 2.74Å; E17-R20 PolarHBondContact OE1-NH1 3.17Å; E17-R20 IonicContact OE2-NH1 3.12Å; R20-Q23 PolarHBondContact O-N 2.89Å; R20-S24 WeakPolarHBondContact O-CB 3.49Å; R20-S24 PolarHBondContact O-N 3.07Å; R20-L30 HydrophobicContact CB-CD2 4.25Å; R20-L30 VanDerWaalsContact O-CD2 3.26Å; R20-L30 WeakPolarHBondContact O-CD2 3.34Å; R20-V33 HydrophobicContact CG-CB 4.3Å; R20-V33 HydrophobicContact CG-CG1 3.89Å; R20-V33 HydrophobicContact CG-CG2 4.39Å; R20-D34 IonicContact CZ-OD1 3.74Å; R20-D34 IonicContact NE-OD1 2.63Å; R20-D34 IonicContact NH2-OD1 3.85Å; R20-D34 PolarHBondContact NH2-OD1 3.07Å |
| 21 | E | 95.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 60.8 Ų | 60.8 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.5 | -171 | -169.7 | 162 | 0 | 0 | 111 | E17 S24 K25 | E17-E21 WeakPolarHBondContact O-CB 3.46Å; E17-E21 PolarHBondContact O-N 2.88Å; E21-S24 PolarHBondContact O-N 2.93Å; E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CB 3.27Å; E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 3.23Å; E21-K25 WeakPolarHBondContact OE1-CE 3.44Å; E21-K25 IonicContact OE1-NZ 3.55Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å |
| 22 | S | 96.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | L18 I19 K25 R26 N113 I114 V115 | L18-S22 WeakPolarHBondContact O-CB 3.44Å; L18-S22 PolarHBondContact O-N 3.25Å; I19-S22 PolarHBondContact O-N 3.43Å; S22-K25 WeakPolarHBondContact O-CB 3.46Å; S22-K25 PolarHBondContact O-N 3.42Å; S22-R26 WeakPolarHBondContact O-CG 3.49Å; S22-R26 PolarHBondContact O-N 3.22Å; S22-N113 PolarHBondContact OG-O 3.49Å; S22-I114 WeakPolarHBondContact OG-CA 3.33Å; S22-V115 PolarHBondContact OG-N 2.97Å; S22-V115 VanDerWaalsContact OG-N 3.1Å |
| 23 | Q | 95.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.2 | -78.1 | -68.8 | 108.3 | 0 | 0 | 111.8 | I19 R20 K25 R26 F27 A28 S29 L30 V33 I111 | I19-Q23 HydrophobicContact CG2-CG 4.47Å; I19-Q23 WeakPolarHBondContact O-CB 3.48Å; I19-Q23 WeakPolarHBondContact O-CG 3.44Å; I19-Q23 PolarHBondContact O-N 3.48Å; R20-Q23 PolarHBondContact O-N 2.89Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.39Å; Q23-R26 CarbonylContact O-C 3.57Å; Q23-R26 PolarHBondContact O-N 2.96Å; Q23-R26 VanDerWaalsContact O-N 3.17Å; Q23-F27 PolarHBondContact O-N 3.45Å; Q23-A28 VanDerWaalsContact NE2-CB 3.35Å; Q23-A28 PolarHBondContact O-N 3.44Å; Q23-S29 PolarHBondContact NE2-O 3.25Å; Q23-L30 HydrophobicContact CB-CD2 3.89Å; Q23-V33 HydrophobicContact CB-CG2 4.4Å; Q23-V33 HydrophobicContact CG-CG2 3.8Å; Q23-I111 HydrophobicContact CG-CG2 4.16Å |
| 24 | S | 95 | Very high | 94.6 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.3 | -178 | 0 | 0 | 0 | 0 | 111.4 | R20 E21 R26 F27 | R20-S24 WeakPolarHBondContact O-CB 3.49Å; R20-S24 PolarHBondContact O-N 3.07Å; E21-S24 PolarHBondContact O-N 2.93Å; S24-R26 PolarHBondContact O-N 3.12Å; S24-F27 PolarHBondContact O-N 3.01Å |
| 25 | K | 93.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.9 | -37.8 | 174.4 | -78.9 | 175.9 | -177 | 169.4 | 0 | 112.3 | E21 S22 Q23 F27 V115 F121 S342 | E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CB 3.27Å; E21-K25 WeakPolarHBondContact O-CG 3.41Å; E21-K25 PolarHBondContact O-N 3.23Å; E21-K25 WeakPolarHBondContact OE1-CE 3.44Å; E21-K25 IonicContact OE1-NZ 3.55Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å; S22-K25 WeakPolarHBondContact O-CB 3.46Å; S22-K25 PolarHBondContact O-N 3.42Å; Q23-K25 VanDerWaalsContact C-N 3.34Å; Q23-K25 PolarHBondContact O-N 3.39Å; K25-F27 VanDerWaalsContact O-CD2 3.3Å; K25-F27 WeakPolarHBondContact O-CD2 3.42Å; K25-F27 VanDerWaalsContact O-CE2 3.32Å; K25-F27 WeakPolarHBondContact O-CE2 3.38Å; K25-F27 PolarHBondContact O-N 2.85Å; K25-V115 HydrophobicContact CB-CG2 4.44Å; K25-V115 HydrophobicContact CD-CB 4.46Å; K25-V115 HydrophobicContact CD-CG1 4.46Å; K25-F121 HydrophobicContact CB-CD2 4.13Å; K25-F121 HydrophobicContact CB-CE2 4.49Å; K25-F121 HydrophobicContact CG-CD2 3.95Å; K25-F121 HydrophobicContact CG-CE2 4.43Å; K25-S342 WeakPolarHBondContact O-CB 3.42Å; K25-S342 PolarHBondContact O-OG 3.07Å |
| 26 | R | 94.9 | Very high | 95 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.06 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 0.2 | 177 | -68.7 | 177.4 | 178.4 | -84.3 | -1.9 | 114.1 | S22 Q23 S24 A28 N113 V115 L345 N346 A349 | S22-R26 WeakPolarHBondContact O-CG 3.49Å; S22-R26 PolarHBondContact O-N 3.22Å; Q23-R26 CarbonylContact O-C 3.57Å; Q23-R26 PolarHBondContact O-N 2.96Å; Q23-R26 VanDerWaalsContact O-N 3.17Å; S24-R26 PolarHBondContact O-N 3.12Å; R26-A28 HydrophobicContact CB-CB 4.18Å; R26-A28 PolarHBondContact O-N 3.18Å; R26-N113 PolarHBondContact NE-O 2.76Å; R26-N113 PolarHBondContact NH2-O 3.31Å; R26-V115 HydrophobicContact CG-CG2 3.72Å; R26-L345 VanDerWaalsContact NH1-CB 3.26Å; R26-L345 PolarHBondContact NH1-O 3.48Å; R26-L345 VanDerWaalsContact NH1-O 3.16Å; R26-N346 PolarHBondContact NH1-O 3.34Å; R26-A349 PolarHBondContact NH2-O 3.04Å |
| 27 | F | 93.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 51.3 Ų | 51.3 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 27.6 | -172.6 | -57.4 | -95.4 | 0 | 0 | 0 | 112.7 | Q23 S24 K25 F121 S122 N123 | Q23-F27 PolarHBondContact O-N 3.45Å; S24-F27 PolarHBondContact O-N 3.01Å; K25-F27 VanDerWaalsContact O-CD2 3.3Å; K25-F27 WeakPolarHBondContact O-CD2 3.42Å; K25-F27 VanDerWaalsContact O-CE2 3.32Å; K25-F27 WeakPolarHBondContact O-CE2 3.38Å; K25-F27 PolarHBondContact O-N 2.85Å; F27-F121 HydrophobicContact CE1-CE2 4.18Å; F27-F121 HydrophobicContact CE1-CZ 4.11Å; F27-F121 HydrophobicContact CE2-CD2 4.06Å; F27-F121 AromaticContact CE2-CE2 3.66Å; F27-F121 HydrophobicContact CE2-CE2 3.66Å; F27-F121 HydrophobicContact CE2-CZ 4.34Å; F27-F121 HydrophobicContact CZ-CD2 4.11Å; F27-F121 HydrophobicContact CZ-CE1 4.41Å; F27-F121 AromaticContact CZ-CE2 3.44Å; F27-F121 HydrophobicContact CZ-CE2 3.44Å; F27-F121 VanDerWaalsContact CZ-CE2 3.44Å; F27-F121 AromaticContact CZ-CZ 3.65Å; F27-F121 HydrophobicContact CZ-CZ 3.65Å; F27-S122 WeakPolarHBondContact CE2-O 3.5Å; F27-N123 HydrophobicContact CD1-CB 3.78Å; F27-N123 HydrophobicContact CD2-CB 3.59Å; F27-N123 HydrophobicContact CE1-CB 3.8Å; F27-N123 HydrophobicContact CE2-CB 3.65Å; F27-N123 HydrophobicContact CG-CB 3.69Å; F27-N123 HydrophobicContact CZ-CB 3.74Å |
| 28 | A | 93.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | trans | -97.3 | 162.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q23 R26 L30 | Q23-A28 VanDerWaalsContact NE2-CB 3.35Å; Q23-A28 PolarHBondContact O-N 3.44Å; R26-A28 HydrophobicContact CB-CB 4.18Å; R26-A28 PolarHBondContact O-N 3.18Å; A28-L30 PolarHBondContact O-N 3.42Å | ||
| 29 | S | 93.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | trans | -65.2 | 127.4 | -176.6 | -179.5 | 0 | 0 | 0 | 0 | 112 | Q23 E31 | Q23-S29 PolarHBondContact NE2-O 3.25Å; S29-E31 VanDerWaalsContact C-N 3.33Å; S29-E31 WeakPolarHBondContact OG-CB 3.37Å; S29-E31 PolarHBondContact OG-N 3.05Å | ||
| 30 | L | 94.5 | Very high | 95.3 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -74.3 | -25.6 | 172 | -64.5 | 179.5 | 0 | 0 | 0 | 112.1 | R20 Q23 A28 L32 V33 D34 | R20-L30 HydrophobicContact CB-CD2 4.25Å; R20-L30 VanDerWaalsContact O-CD2 3.26Å; R20-L30 WeakPolarHBondContact O-CD2 3.34Å; Q23-L30 HydrophobicContact CB-CD2 3.89Å; A28-L30 PolarHBondContact O-N 3.42Å; L30-L32 PolarHBondContact O-N 3.13Å; L30-V33 WeakPolarHBondContact O-CB 3.44Å; L30-V33 PolarHBondContact O-N 3.38Å; L30-D34 PolarHBondContact O-N 2.96Å |
| 31 | E | 95.8 | Very high | 95.3 | Very high | 133 Ų | 133 | 47.4 Ų | 47.4 | 62% | 0.621 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.4 | -30.2 | 179.3 | -59.5 | 179.4 | 170.9 | 0 | 0 | 111.7 | S29 V33 D34 Q35 | S29-E31 VanDerWaalsContact C-N 3.33Å; S29-E31 WeakPolarHBondContact OG-CB 3.37Å; S29-E31 PolarHBondContact OG-N 3.05Å; E31-V33 VanDerWaalsContact C-N 3.27Å; E31-V33 PolarHBondContact O-N 2.94Å; E31-D34 PolarHBondContact O-N 3.43Å; E31-Q35 WeakPolarHBondContact O-CB 3.03Å; E31-Q35 VanDerWaalsContact O-CG 3.25Å; E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 3.15Å |
| 32 | L | 94.7 | Very high | 95.3 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.2 | -66.8 | 171.3 | 0 | 0 | 0 | 111.8 | L30 Q35 V36 A107 Q110 I111 | L30-L32 PolarHBondContact O-N 3.13Å; L32-Q35 PolarHBondContact O-N 3.46Å; L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 3.28Å; L32-A107 HydrophobicContact CD2-CB 4.26Å; L32-Q110 HydrophobicContact CD1-CB 3.77Å; L32-I111 HydrophobicContact CB-CD1 4.34Å; L32-I111 HydrophobicContact CB-CG1 4.11Å |
| 33 | V | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -46.5 | 177.4 | -176 | 0 | 0 | 0 | 0 | 109.7 | F8 V16 I19 R20 Q23 L30 E31 Q35 V36 V37 I111 | F8-V33 HydrophobicContact CD1-CG1 4.24Å; F8-V33 HydrophobicContact CE1-CG1 4.04Å; V16-V33 HydrophobicContact CG1-CG1 3.68Å; I19-V33 HydrophobicContact CG2-CG1 4.35Å; I19-V33 HydrophobicContact CG2-CG2 4.02Å; R20-V33 HydrophobicContact CG-CB 4.3Å; R20-V33 HydrophobicContact CG-CG1 3.89Å; R20-V33 HydrophobicContact CG-CG2 4.39Å; Q23-V33 HydrophobicContact CB-CG2 4.4Å; Q23-V33 HydrophobicContact CG-CG2 3.8Å; L30-V33 WeakPolarHBondContact O-CB 3.44Å; L30-V33 PolarHBondContact O-N 3.38Å; E31-V33 VanDerWaalsContact C-N 3.27Å; E31-V33 PolarHBondContact O-N 2.94Å; V33-Q35 PolarHBondContact O-N 3.16Å; V33-V36 PolarHBondContact O-N 3.23Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.04Å; V33-I111 HydrophobicContact CG2-CD1 4.31Å |
| 34 | D | 95.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 179.3 | -65.1 | -29.1 | 0 | 0 | 0 | 111.7 | R20 L30 E31 V36 V37 V38 | R20-D34 IonicContact CZ-OD1 3.74Å; R20-D34 IonicContact NE-OD1 2.63Å; R20-D34 IonicContact NH2-OD1 3.85Å; R20-D34 PolarHBondContact NH2-OD1 3.07Å; L30-D34 PolarHBondContact O-N 2.96Å; E31-D34 PolarHBondContact O-N 3.43Å; D34-V36 PolarHBondContact O-N 3.08Å; D34-V37 PolarHBondContact O-N 3.41Å; D34-V38 WeakPolarHBondContact O-CB 3.41Å; D34-V38 VanDerWaalsContact O-CG2 3.26Å; D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 3.26Å |
| 35 | Q | 95.7 | Very high | 95.4 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 173.4 | -73.4 | 173.6 | 24.9 | 0 | 0 | 111.8 | E31 L32 V33 A39 A107 | E31-Q35 WeakPolarHBondContact O-CB 3.03Å; E31-Q35 VanDerWaalsContact O-CG 3.25Å; E31-Q35 WeakPolarHBondContact O-CG 3.48Å; E31-Q35 PolarHBondContact O-N 3.15Å; L32-Q35 PolarHBondContact O-N 3.46Å; V33-Q35 PolarHBondContact O-N 3.16Å; Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.5Å; Q35-A107 HydrophobicContact CB-CB 4.19Å |
| 36 | V | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L5 F8 L32 V33 D34 D40 R104 A107 L108 I111 | L5-V36 HydrophobicContact CD1-CG1 4.03Å; F8-V36 HydrophobicContact CB-CG1 4.47Å; F8-V36 HydrophobicContact CD1-CB 4.04Å; F8-V36 HydrophobicContact CD1-CG1 3.55Å; F8-V36 HydrophobicContact CD2-CG1 4.17Å; F8-V36 HydrophobicContact CE1-CB 3.91Å; F8-V36 HydrophobicContact CE1-CG1 3.67Å; F8-V36 HydrophobicContact CE1-CG2 4.42Å; F8-V36 HydrophobicContact CE2-CG1 4.28Å; F8-V36 HydrophobicContact CG-CG1 3.81Å; F8-V36 HydrophobicContact CZ-CG1 4.04Å; L32-V36 WeakPolarHBondContact O-CG2 3.47Å; L32-V36 PolarHBondContact O-N 3.28Å; V33-V36 PolarHBondContact O-N 3.23Å; D34-V36 PolarHBondContact O-N 3.08Å; V36-D40 VanDerWaalsContact O-CB 3.25Å; V36-D40 WeakPolarHBondContact O-CB 3.35Å; V36-D40 PolarHBondContact O-N 2.93Å; V36-R104 HydrophobicContact CG1-CG 4.33Å; V36-A107 HydrophobicContact CG2-CB 3.63Å; V36-L108 HydrophobicContact CG1-CD1 4.26Å; V36-L108 HydrophobicContact CG2-CB 4.2Å; V36-L108 HydrophobicContact CG2-CD1 4.35Å; V36-I111 HydrophobicContact CG2-CD1 3.79Å |
| 37 | V | 95.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 179.8 | 171.6 | 0 | 0 | 0 | 0 | 111 | F8 V16 V33 D34 D40 Q41 | F8-V37 HydrophobicContact CB-CG2 4.35Å; F8-V37 HydrophobicContact CD1-CG2 4.11Å; V16-V37 HydrophobicContact CG1-CG2 3.96Å; V16-V37 HydrophobicContact CG2-CG2 4.48Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.04Å; D34-V37 PolarHBondContact O-N 3.41Å; V37-D40 PolarHBondContact O-N 3.21Å; V37-Q41 HydrophobicContact CG1-CG 4.49Å; V37-Q41 WeakPolarHBondContact O-CB 3.4Å; V37-Q41 VanDerWaalsContact O-CG 3.25Å; V37-Q41 WeakPolarHBondContact O-CG 3.23Å; V37-Q41 PolarHBondContact O-N 2.92Å |
| 38 | V | 96.1 | Very high | 95.5 | Very high | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | -178.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | D34 D40 Q41 Q42 | D34-V38 WeakPolarHBondContact O-CB 3.41Å; D34-V38 VanDerWaalsContact O-CG2 3.26Å; D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 3.26Å; V38-D40 PolarHBondContact O-N 3.44Å; V38-Q41 PolarHBondContact O-N 3.14Å; V38-Q42 WeakPolarHBondContact O-CG 3.4Å; V38-Q42 PolarHBondContact O-N 3.35Å |
| 39 | A | 97 | Very high | 95.6 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q35 Q42 W43 R104 | Q35-A39 WeakPolarHBondContact O-CB 3.36Å; Q35-A39 PolarHBondContact O-N 3.5Å; A39-Q42 PolarHBondContact O-N 2.8Å; A39-W43 VanDerWaalsContact O-CB 3.25Å; A39-W43 WeakPolarHBondContact O-CB 3.31Å; A39-W43 PolarHBondContact O-N 2.86Å; A39-R104 HydrophobicContact CB-CB 3.88Å |
| 40 | D | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 176.9 | -173.6 | 68.8 | 0 | 0 | 0 | 112.5 | L5 R9 V36 V37 V38 W43 R44 R104 | L5-D40 HydrophobicContact CD1-CB 4.44Å; R9-D40 IonicContact CZ-OD1 3.05Å; R9-D40 IonicContact CZ-OD2 3.62Å; R9-D40 IonicContact NE-OD1 3.63Å; R9-D40 IonicContact NE-OD2 2.81Å; R9-D40 PolarHBondContact NE-OD2 3.06Å; R9-D40 IonicContact NH2-OD1 3.03Å; R9-D40 PolarHBondContact NH2-OD1 3.02Å; R9-D40 IonicContact NH2-OD2 3.16Å; V36-D40 VanDerWaalsContact O-CB 3.25Å; V36-D40 WeakPolarHBondContact O-CB 3.35Å; V36-D40 PolarHBondContact O-N 2.93Å; V37-D40 PolarHBondContact O-N 3.21Å; V38-D40 PolarHBondContact O-N 3.44Å; D40-W43 PolarHBondContact O-N 3.24Å; D40-R44 WeakPolarHBondContact O-CB 3.3Å; D40-R44 WeakPolarHBondContact O-CG 3.33Å; D40-R44 PolarHBondContact O-N 2.93Å; D40-R44 IonicContact OD2-CZ 3.51Å; D40-R44 IonicContact OD2-NE 3.61Å; D40-R44 PolarHBondContact OD2-NE 3.33Å; D40-R44 IonicContact OD2-NH2 3.84Å; D40-R104 IonicContact OD1-CZ 3.9Å; D40-R104 IonicContact OD1-NH1 2.74Å; D40-R104 PolarHBondContact OD1-NH1 3.42Å |
| 41 | Q | 95.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 176 | -76.9 | 178.9 | 11.1 | 0 | 0 | 111.8 | V37 V38 R44 R45 | V37-Q41 HydrophobicContact CG1-CG 4.49Å; V37-Q41 WeakPolarHBondContact O-CB 3.4Å; V37-Q41 VanDerWaalsContact O-CG 3.25Å; V37-Q41 WeakPolarHBondContact O-CG 3.23Å; V37-Q41 PolarHBondContact O-N 2.92Å; V38-Q41 PolarHBondContact O-N 3.14Å; Q41-R44 PolarHBondContact O-N 3.05Å; Q41-R45 WeakPolarHBondContact O-CG 3.4Å; Q41-R45 PolarHBondContact O-N 3.24Å; Q41-R45 VanDerWaalsContact O-N 3.09Å |
| 42 | Q | 96.7 | Very high | 95.6 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 176.2 | -70.1 | 179.5 | 12.5 | 0 | 0 | 111 | V38 A39 R44 R45 S46 L100 | V38-Q42 WeakPolarHBondContact O-CG 3.4Å; V38-Q42 PolarHBondContact O-N 3.35Å; A39-Q42 PolarHBondContact O-N 2.8Å; Q42-R44 VanDerWaalsContact C-N 3.35Å; Q42-R44 PolarHBondContact O-N 2.92Å; Q42-R45 WeakPolarHBondContact O-CB 3.48Å; Q42-R45 PolarHBondContact O-N 3.28Å; Q42-S46 PolarHBondContact O-N 2.86Å; Q42-S46 PolarHBondContact O-OG 2.67Å; Q42-L100 HydrophobicContact CB-CD1 3.81Å; Q42-L100 HydrophobicContact CB-CD2 3.83Å; Q42-L100 HydrophobicContact CB-CG 4.47Å; Q42-L100 VanDerWaalsContact OE1-CD2 3.27Å |
| 43 | W | 97.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 178 | -179.4 | 94.6 | 0 | 0 | 0 | 111.7 | A39 D40 R45 S46 R47 M97 L100 | A39-W43 VanDerWaalsContact O-CB 3.25Å; A39-W43 WeakPolarHBondContact O-CB 3.31Å; A39-W43 PolarHBondContact O-N 2.86Å; D40-W43 PolarHBondContact O-N 3.24Å; W43-R45 PolarHBondContact O-N 3.2Å; W43-S46 PolarHBondContact O-N 3.28Å; W43-R47 PolarHBondContact O-N 3.22Å; W43-M97 HydrophobicContact CZ2-CE 4.27Å; W43-L100 HydrophobicContact CB-CB 4.06Å; W43-L100 HydrophobicContact CB-CD1 4.45Å |
| 44 | R | 94.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 176.9 | -74.3 | -173.5 | -71 | 136.8 | -16.8 | 112.5 | E11 D40 Q41 Q42 R47 F48 | E11-R44 IonicContact OE1-CZ 3.03Å; E11-R44 IonicContact OE1-NE 2.75Å; E11-R44 IonicContact OE1-NH1 3.78Å; E11-R44 PolarHBondContact OE1-NH1 3.32Å; E11-R44 IonicContact OE1-NH2 2.88Å; E11-R44 PolarHBondContact OE1-NH2 3.26Å; E11-R44 IonicContact OE2-NH2 2.66Å; D40-R44 WeakPolarHBondContact O-CB 3.3Å; D40-R44 WeakPolarHBondContact O-CG 3.33Å; D40-R44 PolarHBondContact O-N 2.93Å; D40-R44 IonicContact OD2-CZ 3.51Å; D40-R44 IonicContact OD2-NE 3.61Å; D40-R44 PolarHBondContact OD2-NE 3.33Å; D40-R44 IonicContact OD2-NH2 3.84Å; Q41-R44 PolarHBondContact O-N 3.05Å; Q42-R44 VanDerWaalsContact C-N 3.35Å; Q42-R44 PolarHBondContact O-N 2.92Å; R44-R47 PolarHBondContact O-N 3.32Å; R44-F48 PolarHBondContact O-N 2.86Å |
| 45 | R | 95.5 | Very high | 95.2 | Very high | 164 Ų | 164 | 71.1 Ų | 71.1 | 62% | 0.619 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 172.8 | -71.6 | 173.2 | -175.6 | 176.3 | 2.8 | 111 | Q41 Q42 W43 R47 F48 L49 | Q41-R45 WeakPolarHBondContact O-CG 3.4Å; Q41-R45 PolarHBondContact O-N 3.24Å; Q41-R45 VanDerWaalsContact O-N 3.09Å; Q42-R45 WeakPolarHBondContact O-CB 3.48Å; Q42-R45 PolarHBondContact O-N 3.28Å; W43-R45 PolarHBondContact O-N 3.2Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 3.26Å; R45-F48 PolarHBondContact O-N 2.93Å; R45-L49 WeakPolarHBondContact O-CG 3.17Å; R45-L49 PolarHBondContact O-N 3.13Å |
| 46 | S | 95.6 | Very high | 95 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | Q42 W43 L49 A50 N93 M97 | Q42-S46 PolarHBondContact O-N 2.86Å; Q42-S46 PolarHBondContact O-OG 2.67Å; W43-S46 PolarHBondContact O-N 3.28Å; S46-L49 PolarHBondContact O-N 3.45Å; S46-A50 PolarHBondContact O-N 2.98Å; S46-N93 PolarHBondContact O-ND2 2.98Å; S46-N93 PolarHBondContact O-OD1 3.17Å; S46-M97 VanDerWaalsContact CB-CG 3.44Å |
| 47 | R | 95.1 | Very high | 94.7 | Very high | 125 Ų | 125 | 73.1 Ų | 73.1 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 173.3 | 179.7 | 62.4 | -172 | -163.6 | -1.4 | 111.9 | W43 R44 R45 L49 A50 D51 M97 | W43-R47 PolarHBondContact O-N 3.22Å; R44-R47 PolarHBondContact O-N 3.32Å; R45-R47 VanDerWaalsContact C-N 3.32Å; R45-R47 PolarHBondContact O-N 3.26Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-L49 PolarHBondContact O-N 3.27Å; R47-A50 WeakPolarHBondContact O-CB 3.48Å; R47-A50 PolarHBondContact O-N 2.75Å; R47-A50 VanDerWaalsContact O-N 3.14Å; R47-D51 IonicContact NE-OD1 2.82Å; R47-D51 PolarHBondContact O-N 3.14Å; R47-D51 VanDerWaalsContact O-N 3.08Å; R47-M97 HydrophobicContact CB-CE 3.93Å; R47-M97 HydrophobicContact CG-CE 4.42Å |
| 48 | F | 94.9 | Very high | 94.4 | Very high | 116 Ų | 116 | 77.4 Ų | 77.4 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 176.4 | 178.8 | -110 | 0 | 0 | 0 | 112.5 | R44 R45 D51 K52 | R44-F48 PolarHBondContact O-N 2.86Å; R45-F48 PolarHBondContact O-N 2.93Å; F48-D51 PolarHBondContact O-N 3.33Å; F48-K52 HydrophobicContact CD1-CD 4.41Å; F48-K52 HydrophobicContact CE1-CD 4.03Å; F48-K52 VanDerWaalsContact CE1-NZ 3.3Å; F48-K52 HydrophobicContact CZ-CD 4.41Å; F48-K52 PolarHBondContact O-N 3.4Å; F48-K52 VanDerWaalsContact O-N 3.13Å |
| 49 | L | 95.1 | Very high | 94.1 | Very high | 73 Ų | 73 | 78.4 Ų | 78.4 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 172.7 | -71.9 | 173.2 | 0 | 0 | 0 | 112 | R45 S46 R47 D51 K52 W53 | R45-L49 WeakPolarHBondContact O-CG 3.17Å; R45-L49 PolarHBondContact O-N 3.13Å; S46-L49 PolarHBondContact O-N 3.45Å; R47-L49 VanDerWaalsContact C-N 3.3Å; R47-L49 PolarHBondContact O-N 3.27Å; L49-D51 VanDerWaalsContact C-N 3.31Å; L49-D51 PolarHBondContact O-N 2.89Å; L49-K52 WeakPolarHBondContact O-CB 3.48Å; L49-K52 PolarHBondContact O-N 2.86Å; L49-K52 VanDerWaalsContact O-N 3.15Å; L49-W53 PolarHBondContact O-N 2.82Å |
| 50 | A | 94.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 78.9 Ų | 78.9 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S46 R47 K52 W53 N54 M97 | S46-A50 PolarHBondContact O-N 2.98Å; R47-A50 WeakPolarHBondContact O-CB 3.48Å; R47-A50 PolarHBondContact O-N 2.75Å; R47-A50 VanDerWaalsContact O-N 3.14Å; A50-K52 VanDerWaalsContact C-N 3.32Å; A50-K52 PolarHBondContact O-N 3.28Å; A50-W53 PolarHBondContact O-N 3.15Å; A50-N54 WeakPolarHBondContact O-CB 3.34Å; A50-N54 PolarHBondContact O-N 3.32Å; A50-N54 PolarHBondContact O-ND2 2.92Å; A50-M97 HydrophobicContact CB-SD 4.24Å |
| 51 | D | 94.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 81.7 Ų | 81.7 | 32% | 0.316 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.8 | -66.5 | -24.5 | 0 | 0 | 0 | 111.7 | R47 F48 L49 R55 | R47-D51 IonicContact NE-OD1 2.82Å; R47-D51 PolarHBondContact O-N 3.14Å; R47-D51 VanDerWaalsContact O-N 3.08Å; F48-D51 PolarHBondContact O-N 3.33Å; L49-D51 VanDerWaalsContact C-N 3.31Å; L49-D51 PolarHBondContact O-N 2.89Å; D51-R55 WeakPolarHBondContact O-CG 3.39Å; D51-R55 PolarHBondContact O-N 3.25Å; D51-R55 VanDerWaalsContact O-N 3.12Å |
| 52 | K | 94.3 | Very high | 92.7 | Very high | 101 Ų | 101 | 84 Ų | 84 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 172.9 | -76.1 | -176.7 | 171 | 179.4 | 0 | 112.5 | F48 L49 A50 N54 R55 L56 | F48-K52 HydrophobicContact CD1-CD 4.41Å; F48-K52 HydrophobicContact CE1-CD 4.03Å; F48-K52 VanDerWaalsContact CE1-NZ 3.3Å; F48-K52 HydrophobicContact CZ-CD 4.41Å; F48-K52 PolarHBondContact O-N 3.4Å; F48-K52 VanDerWaalsContact O-N 3.13Å; L49-K52 WeakPolarHBondContact O-CB 3.48Å; L49-K52 PolarHBondContact O-N 2.86Å; L49-K52 VanDerWaalsContact O-N 3.15Å; A50-K52 VanDerWaalsContact C-N 3.32Å; A50-K52 PolarHBondContact O-N 3.28Å; K52-N54 VanDerWaalsContact C-N 3.35Å; K52-N54 PolarHBondContact O-N 2.94Å; K52-R55 PolarHBondContact O-N 2.97Å; K52-L56 WeakPolarHBondContact O-CG 3.12Å; K52-L56 PolarHBondContact O-N 3.12Å |
| 53 | W | 93.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 82.9 Ų | 82.9 | 30% | 0.295 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 177.7 | -70.2 | 126.3 | 0 | 0 | 0 | 112 | L49 A50 R55 L56 K57 I86 A89 M90 | L49-W53 PolarHBondContact O-N 2.82Å; A50-W53 PolarHBondContact O-N 3.15Å; W53-R55 VanDerWaalsContact C-N 3.34Å; W53-R55 PolarHBondContact O-N 3.48Å; W53-L56 HydrophobicContact CE3-CD1 3.81Å; W53-L56 HydrophobicContact CZ3-CD1 3.89Å; W53-L56 PolarHBondContact O-N 3.32Å; W53-K57 WeakPolarHBondContact O-CB 3.37Å; W53-K57 PolarHBondContact O-N 3.3Å; W53-I86 HydrophobicContact CB-CG2 4.38Å; W53-I86 HydrophobicContact CE3-CB 4.47Å; W53-I86 HydrophobicContact CE3-CG1 4.13Å; W53-I86 HydrophobicContact CE3-CG2 4.03Å; W53-I86 HydrophobicContact CZ3-CG1 4.17Å; W53-A89 HydrophobicContact CD2-CB 4.43Å; W53-A89 HydrophobicContact CH2-CB 4.31Å; W53-A89 HydrophobicContact CZ2-CB 3.95Å; W53-M90 HydrophobicContact CB-CG 3.44Å; W53-M90 VanDerWaalsContact CB-CG 3.44Å; W53-M90 HydrophobicContact CB-SD 4Å; W53-M90 HydrophobicContact CG-CG 3.99Å |
| 54 | N | 92 | Very high | 91.3 | Very high | 67 Ų | 67 | 81.6 Ų | 81.6 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.2 | -78.5 | -38.4 | 0 | 0 | 0 | 112 | A50 K52 K57 N58 M90 | A50-N54 WeakPolarHBondContact O-CB 3.34Å; A50-N54 PolarHBondContact O-N 3.32Å; A50-N54 PolarHBondContact O-ND2 2.92Å; K52-N54 VanDerWaalsContact C-N 3.35Å; K52-N54 PolarHBondContact O-N 2.94Å; N54-K57 PolarHBondContact O-N 3.48Å; N54-N58 WeakPolarHBondContact O-CB 3.46Å; N54-N58 VanDerWaalsContact O-CG 3.23Å; N54-N58 PolarHBondContact O-N 3.47Å; N54-N58 PolarHBondContact O-ND2 3.16Å; N54-M90 WeakPolarHBondContact OD1-CE 3.25Å |
| 55 | R | 93.1 | Very high | 90.6 | Very high | 189 Ų | 189 | 79.7 Ų | 79.7 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 174.9 | -70.4 | 174.7 | -170.1 | -170.3 | 3.5 | 111.9 | D51 K52 W53 N58 L59 | D51-R55 WeakPolarHBondContact O-CG 3.39Å; D51-R55 PolarHBondContact O-N 3.25Å; D51-R55 VanDerWaalsContact O-N 3.12Å; K52-R55 PolarHBondContact O-N 2.97Å; W53-R55 VanDerWaalsContact C-N 3.34Å; W53-R55 PolarHBondContact O-N 3.48Å; R55-N58 PolarHBondContact O-N 2.91Å; R55-L59 PolarHBondContact O-N 2.74Å |
| 56 | L | 90.7 | Very high | 89.9 | Confident | 77 Ų | 77 | 76.1 Ų | 76.1 | 40% | 0.403 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.8 | -73 | 172 | 0 | 0 | 0 | 112.2 | K52 W53 L59 C60 I86 | K52-L56 WeakPolarHBondContact O-CG 3.12Å; K52-L56 PolarHBondContact O-N 3.12Å; W53-L56 HydrophobicContact CE3-CD1 3.81Å; W53-L56 HydrophobicContact CZ3-CD1 3.89Å; W53-L56 PolarHBondContact O-N 3.32Å; L56-L59 WeakPolarHBondContact O-CB 3.26Å; L56-L59 PolarHBondContact O-N 2.63Å; L56-C60 PolarHBondContact O-N 3.05Å; L56-C60 PolarHBondContact O-SG 3.38Å; L56-C60 VanDerWaalsContact O-SG 3.39Å; L56-I86 HydrophobicContact CB-CD1 4.11Å |
| 57 | K | 89.7 | Confident | 88.7 | Confident | 64 Ų | 64 | 77.1 Ų | 77.1 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 175.9 | -176.6 | 171.3 | 176.9 | 167.6 | 0 | 111.2 | W53 N54 L59 C60 S61 I86 D87 M90 | W53-K57 WeakPolarHBondContact O-CB 3.37Å; W53-K57 PolarHBondContact O-N 3.3Å; N54-K57 PolarHBondContact O-N 3.48Å; K57-L59 VanDerWaalsContact C-N 3.29Å; K57-L59 PolarHBondContact O-N 2.82Å; K57-C60 PolarHBondContact O-N 2.99Å; K57-S61 PolarHBondContact O-N 2.96Å; K57-S61 PolarHBondContact O-OG 2.94Å; K57-I86 HydrophobicContact CB-CG2 3.99Å; K57-D87 VanDerWaalsContact CE-OD1 3.27Å; K57-D87 WeakPolarHBondContact CE-OD1 3.45Å; K57-D87 IonicContact NZ-OD1 3.86Å; K57-D87 PolarHBondContact NZ-OD1 3.25Å; K57-M90 HydrophobicContact CD-CE 4.48Å; K57-M90 HydrophobicContact CD-SD 3.94Å |
| 58 | N | 91 | Very high | 87.2 | Confident | 111 Ų | 111 | 77.7 Ų | 77.7 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 177.2 | -69.5 | -14 | 0 | 0 | 0 | 111.8 | N54 R55 S61 K62 | N54-N58 WeakPolarHBondContact O-CB 3.46Å; N54-N58 VanDerWaalsContact O-CG 3.23Å; N54-N58 PolarHBondContact O-N 3.47Å; N54-N58 PolarHBondContact O-ND2 3.16Å; R55-N58 PolarHBondContact O-N 2.91Å; N58-S61 PolarHBondContact O-N 3.03Å; N58-K62 WeakPolarHBondContact O-CB 3.46Å; N58-K62 PolarHBondContact O-N 3.44Å |
| 59 | L | 89.1 | Confident | 85.7 | Confident | 93 Ų | 93 | 80.7 Ų | 80.7 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 174.2 | -174.3 | 67 | 0 | 0 | 0 | 111.5 | R55 L56 K57 S61 K62 E63 | R55-L59 PolarHBondContact O-N 2.74Å; L56-L59 WeakPolarHBondContact O-CB 3.26Å; L56-L59 PolarHBondContact O-N 2.63Å; K57-L59 VanDerWaalsContact C-N 3.29Å; K57-L59 PolarHBondContact O-N 2.82Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.29Å; L59-K62 PolarHBondContact O-N 2.81Å; L59-E63 WeakPolarHBondContact O-CB 3.47Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.46Å |
| 60 | C | 86.4 | Confident | 83.9 | Confident | 15 Ų | 15 | 81.8 Ų | 81.8 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 176 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | L56 K57 E63 I64 | L56-C60 PolarHBondContact O-N 3.05Å; L56-C60 PolarHBondContact O-SG 3.38Å; L56-C60 VanDerWaalsContact O-SG 3.39Å; K57-C60 PolarHBondContact O-N 2.99Å; C60-E63 PolarHBondContact O-N 2.94Å; C60-I64 WeakPolarHBondContact O-CB 3.42Å; C60-I64 WeakPolarHBondContact O-CD1 3.35Å; C60-I64 WeakPolarHBondContact O-CG1 3.41Å; C60-I64 PolarHBondContact O-N 3.45Å |
| 61 | S | 86.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 43% | 0.427 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | K57 N58 L59 I64 G65 | K57-S61 PolarHBondContact O-N 2.96Å; K57-S61 PolarHBondContact O-OG 2.94Å; N58-S61 PolarHBondContact O-N 3.03Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.29Å; S61-I64 PolarHBondContact O-N 2.85Å; S61-G65 PolarHBondContact O-N 2.87Å; S61-G65 VanDerWaalsContact O-N 3.11Å |
| 62 | K | 87.7 | Confident | 80.1 | Confident | 127 Ų | 127 | 93.3 Ų | 93.3 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.6 | -49.6 | 175.3 | -176.4 | -179.3 | 171.4 | -176 | 0 | 111.5 | N58 L59 I64 G65 E66 | N58-K62 WeakPolarHBondContact O-CB 3.46Å; N58-K62 PolarHBondContact O-N 3.44Å; L59-K62 PolarHBondContact O-N 2.81Å; K62-I64 VanDerWaalsContact C-N 3.32Å; K62-I64 PolarHBondContact O-N 2.88Å; K62-G65 PolarHBondContact O-N 3.41Å; K62-G65 VanDerWaalsContact O-N 3.08Å; K62-E66 WeakPolarHBondContact CE-OE1 3.35Å; K62-E66 IonicContact NZ-OE1 3.86Å; K62-E66 PolarHBondContact O-N 3.09Å |
| 63 | E | 84.1 | Confident | 78.7 | Confident | 66 Ų | 66 | 93.2 Ų | 93.2 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 177.2 | -75.4 | -70.7 | 151 | 0 | 0 | 112.5 | L59 C60 G65 E66 K67 L79 | L59-E63 WeakPolarHBondContact O-CB 3.47Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.46Å; C60-E63 PolarHBondContact O-N 2.94Å; E63-G65 VanDerWaalsContact C-N 3.34Å; E63-E66 PolarHBondContact O-N 3.47Å; E63-K67 VanDerWaalsContact O-CB 3.24Å; E63-K67 WeakPolarHBondContact O-CB 3.21Å; E63-K67 VanDerWaalsContact O-CG 3.27Å; E63-K67 WeakPolarHBondContact O-CG 3.49Å; E63-K67 PolarHBondContact O-N 3.25Å; E63-L79 HydrophobicContact CB-CD1 4.2Å |
| 64 | I | 80.5 | Confident | 77.5 | Confident | 23 Ų | 23 | 92.9 Ų | 92.9 | 12% | 0.118 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 173.9 | -72.7 | 164.9 | 0 | 0 | 0 | 110.7 | C60 S61 K62 M68 L79 | C60-I64 WeakPolarHBondContact O-CB 3.42Å; C60-I64 WeakPolarHBondContact O-CD1 3.35Å; C60-I64 WeakPolarHBondContact O-CG1 3.41Å; C60-I64 PolarHBondContact O-N 3.45Å; S61-I64 PolarHBondContact O-N 2.85Å; K62-I64 VanDerWaalsContact C-N 3.32Å; K62-I64 PolarHBondContact O-N 2.88Å; I64-M68 HydrophobicContact CG2-CE 3.7Å; I64-M68 WeakPolarHBondContact O-CG 3.44Å; I64-M68 PolarHBondContact O-N 3.2Å; I64-L79 HydrophobicContact CD1-CB 3.92Å; I64-L79 HydrophobicContact CG1-CB 3.53Å; I64-L79 HydrophobicContact CG1-CD1 3.82Å; I64-L79 HydrophobicContact CG1-CG 4.27Å |
| 65 | G | 80.2 | Confident | 76.9 | Confident | 34 Ų | 34 | 92.5 Ų | 92.5 | 35% | 0.351 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S61 K62 E63 | S61-G65 PolarHBondContact O-N 2.87Å; S61-G65 VanDerWaalsContact O-N 3.11Å; K62-G65 PolarHBondContact O-N 3.41Å; K62-G65 VanDerWaalsContact O-N 3.08Å; E63-G65 VanDerWaalsContact C-N 3.34Å |
| 66 | E | 79.1 | Confident | 76.2 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 42% | 0.416 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74.4 | -40.4 | 176.6 | -71.7 | 176.9 | 178.3 | 0 | 0 | 112 | K62 E63 M68 K69 V70 | K62-E66 WeakPolarHBondContact CE-OE1 3.35Å; K62-E66 IonicContact NZ-OE1 3.86Å; K62-E66 PolarHBondContact O-N 3.09Å; E63-E66 PolarHBondContact O-N 3.47Å; E66-M68 PolarHBondContact O-N 3.38Å; E66-K69 WeakPolarHBondContact O-CA 3.43Å; E66-K69 VanDerWaalsContact O-CB 3.25Å; E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.82Å; E66-V70 PolarHBondContact O-N 3.45Å; E66-V70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 70.5 | Confident | 75.9 | Confident | 35 Ų | 35 | 83.8 Ų | 83.8 | 15% | 0.152 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -73.1 | -24.1 | 178.5 | -72.8 | -168.2 | -172.6 | -178.3 | 0 | 114.7 | E63 K69 V70 I72 L74 L79 | E63-K67 VanDerWaalsContact O-CB 3.24Å; E63-K67 WeakPolarHBondContact O-CB 3.21Å; E63-K67 VanDerWaalsContact O-CG 3.27Å; E63-K67 WeakPolarHBondContact O-CG 3.49Å; E63-K67 PolarHBondContact O-N 3.25Å; K67-K69 PolarHBondContact O-N 3.42Å; K67-V70 WeakPolarHBondContact CA-O 3.5Å; K67-V70 PolarHBondContact O-N 2.9Å; K67-I72 VanDerWaalsContact CE-O 3.27Å; K67-I72 WeakPolarHBondContact CE-O 3.18Å; K67-I72 PolarHBondContact NZ-O 3.44Å; K67-L74 WeakPolarHBondContact CD-O 3.33Å; K67-L74 PolarHBondContact NZ-O 3.46Å; K67-L74 VanDerWaalsContact NZ-O 3.15Å; K67-L79 HydrophobicContact CD-CD1 3.72Å |
| 68 | M | 64.4 | Low | 75.7 | Confident | 137 Ų | 137 | 84.5 Ų | 84.5 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14.2 | 165.1 | -79.5 | -160.7 | -93.1 | 0 | 0 | 112.3 | I64 E66 V76 | I64-M68 HydrophobicContact CG2-CE 3.7Å; I64-M68 WeakPolarHBondContact O-CG 3.44Å; I64-M68 PolarHBondContact O-N 3.2Å; E66-M68 PolarHBondContact O-N 3.38Å; M68-V76 HydrophobicContact CG-CG2 4.46Å |
| 69 | K | 64.2 | Low | 75.4 | Confident | 180 Ų | 180 | 79.6 Ų | 79.6 | 78% | 0.783 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -29.6 | 174.4 | -56.7 | 176.1 | 178.6 | 179.8 | 0 | 113.6 | E66 K67 | E66-K69 WeakPolarHBondContact O-CA 3.43Å; E66-K69 VanDerWaalsContact O-CB 3.25Å; E66-K69 WeakPolarHBondContact O-CB 3.43Å; E66-K69 PolarHBondContact O-N 2.82Å; K67-K69 PolarHBondContact O-N 3.42Å |
| 70 | V | 57.6 | Low | 75.2 | Confident | 95 Ų | 95 | 81.5 Ų | 81.5 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -142.8 | 120.6 | -174.3 | -165.9 | 0 | 0 | 0 | 0 | 111 | E66 K67 I72 | E66-V70 PolarHBondContact O-N 3.45Å; E66-V70 VanDerWaalsContact O-N 3.1Å; K67-V70 WeakPolarHBondContact CA-O 3.5Å; K67-V70 PolarHBondContact O-N 2.9Å; V70-I72 PolarHBondContact O-N 2.78Å |
| 71 | Q | 51.5 | Low | 75.4 | Confident | 192 Ų | 192 | 89 Ų | 89 | 90% | 0.897 | 47% | 0.466 | S | S | * | . | trans | -80.1 | 96.9 | -174.2 | -79.3 | -176.6 | -20.5 | 0 | 0 | 113.5 | ||||
| 72 | I | 55.8 | Low | 75.5 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 65% | 0.646 | 46% | 0.462 | S | S | * | . | trans | -146 | 143.7 | 170.3 | -50.6 | 178.5 | 0 | 0 | 0 | 114.2 | K67 V70 L74 | K67-I72 VanDerWaalsContact CE-O 3.27Å; K67-I72 WeakPolarHBondContact CE-O 3.18Å; K67-I72 PolarHBondContact NZ-O 3.44Å; V70-I72 PolarHBondContact O-N 2.78Å; I72-L74 PolarHBondContact O-N 2.87Å | ||
| 73 | A | 65.3 | Low | 75.6 | Confident | 98 Ų | 98 | 84 Ų | 84 | 81% | 0.81 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 61.5 | -79.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 74 | L | 68.5 | Low | 76 | Confident | 71 Ų | 71 | 87.3 Ų | 87.3 | 37% | 0.372 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -93.4 | 129.5 | 175.7 | -69.8 | 161.6 | 0 | 0 | 0 | 109.9 | K67 I72 Q78 L79 I82 | K67-L74 WeakPolarHBondContact CD-O 3.33Å; K67-L74 PolarHBondContact NZ-O 3.46Å; K67-L74 VanDerWaalsContact NZ-O 3.15Å; I72-L74 PolarHBondContact O-N 2.87Å; L74-Q78 HydrophobicContact CB-CB 4.35Å; L74-Q78 HydrophobicContact CD2-CB 4.05Å; L74-Q78 HydrophobicContact CD2-CG 4.4Å; L74-L79 HydrophobicContact CB-CG 4.4Å; L74-L79 HydrophobicContact CD1-CD2 4.4Å; L74-I82 HydrophobicContact CD1-CD1 4.42Å |
| 75 | S | 78.2 | Confident | 76.6 | Confident | 60 Ų | 60 | 91.9 Ų | 91.9 | 42% | 0.42 | 48% | 0.479 | S | S | . | . | trans | -65.4 | 154 | 175.5 | 67 | 0 | 0 | 0 | 0 | 111.5 | G77 Q78 L79 | S75-G77 PolarHBondContact O-N 2.98Å; S75-G77 VanDerWaalsContact O-N 3.12Å; S75-Q78 WeakPolarHBondContact O-CA 3.27Å; S75-Q78 WeakPolarHBondContact O-CB 2.88Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-Q78 WeakPolarHBondContact OG-CG 3.34Å; S75-Q78 PolarHBondContact OG-N 3.49Å; S75-Q78 PolarHBondContact OG-OE1 3.33Å; S75-L79 PolarHBondContact O-N 2.84Å; S75-L79 VanDerWaalsContact O-N 3.07Å | ||
| 76 | V | 79.7 | Confident | 77.2 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 29% | 0.291 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -52.3 | -36 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | M68 Q78 L79 K80 | M68-V76 HydrophobicContact CG-CG2 4.46Å; V76-Q78 PolarHBondContact O-N 3.44Å; V76-L79 PolarHBondContact O-N 3.21Å; V76-K80 HydrophobicContact CG1-CD 4.22Å; V76-K80 HydrophobicContact CG1-CG 4.39Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 WeakPolarHBondContact O-CG 3.49Å; V76-K80 PolarHBondContact O-N 2.74Å |
| 77 | G | 84.3 | Confident | 77.9 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.6 | -28.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | S75 R81 | S75-G77 PolarHBondContact O-N 2.98Å; S75-G77 VanDerWaalsContact O-N 3.12Å; G77-R81 WeakPolarHBondContact O-CG 3.45Å; G77-R81 PolarHBondContact O-N 3.34Å; G77-R81 PolarHBondContact O-NE 2.63Å; G77-R81 VanDerWaalsContact O-NE 3.16Å |
| 78 | Q | 85.2 | Confident | 79 | Confident | 79 Ų | 79 | 91.3 Ų | 91.3 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -75.6 | -43.9 | 171.8 | -73.9 | 166.4 | -52.8 | 0 | 0 | 111 | L74 S75 V76 K80 R81 I82 | L74-Q78 HydrophobicContact CB-CB 4.35Å; L74-Q78 HydrophobicContact CD2-CB 4.05Å; L74-Q78 HydrophobicContact CD2-CG 4.4Å; S75-Q78 WeakPolarHBondContact O-CA 3.27Å; S75-Q78 WeakPolarHBondContact O-CB 2.88Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-Q78 WeakPolarHBondContact OG-CG 3.34Å; S75-Q78 PolarHBondContact OG-N 3.49Å; S75-Q78 PolarHBondContact OG-OE1 3.33Å; V76-Q78 PolarHBondContact O-N 3.44Å; Q78-K80 PolarHBondContact O-N 3.4Å; Q78-R81 WeakPolarHBondContact O-CB 3.39Å; Q78-R81 PolarHBondContact O-N 3.02Å; Q78-R81 VanDerWaalsContact O-N 3.13Å; Q78-I82 WeakPolarHBondContact O-CG1 3.27Å; Q78-I82 PolarHBondContact O-N 3.06Å |
| 79 | L | 83.7 | Confident | 80.5 | Confident | 8 Ų | 8 | 86 Ų | 86 | 4% | 0.042 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.7 | -73 | 173.3 | 0 | 0 | 0 | 112.6 | E63 I64 K67 L74 S75 V76 R81 I82 S83 | E63-L79 HydrophobicContact CB-CD1 4.2Å; I64-L79 HydrophobicContact CD1-CB 3.92Å; I64-L79 HydrophobicContact CG1-CB 3.53Å; I64-L79 HydrophobicContact CG1-CD1 3.82Å; I64-L79 HydrophobicContact CG1-CG 4.27Å; K67-L79 HydrophobicContact CD-CD1 3.72Å; L74-L79 HydrophobicContact CB-CG 4.4Å; L74-L79 HydrophobicContact CD1-CD2 4.4Å; S75-L79 PolarHBondContact O-N 2.84Å; S75-L79 VanDerWaalsContact O-N 3.07Å; V76-L79 PolarHBondContact O-N 3.21Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.48Å; L79-I82 PolarHBondContact O-N 2.99Å; L79-S83 WeakPolarHBondContact O-CB 3.5Å; L79-S83 PolarHBondContact O-N 3.37Å |
| 80 | K | 86.6 | Confident | 81.9 | Confident | 134 Ų | 134 | 79.4 Ų | 79.4 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.1 | -37.7 | 172.8 | -75.7 | -177.9 | 177.7 | -175.8 | 0 | 112.3 | V76 Q78 K84 | V76-K80 HydrophobicContact CG1-CD 4.22Å; V76-K80 HydrophobicContact CG1-CG 4.39Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 WeakPolarHBondContact O-CG 3.49Å; V76-K80 PolarHBondContact O-N 2.74Å; Q78-K80 PolarHBondContact O-N 3.4Å; K80-K84 PolarHBondContact O-N 2.92Å |
| 81 | R | 90.1 | Very high | 83.7 | Confident | 172 Ų | 172 | 77.7 Ų | 77.7 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 174.4 | -80.5 | -175.9 | -95.2 | -161.5 | -4 | 112.1 | G77 Q78 L79 K84 L85 | G77-R81 WeakPolarHBondContact O-CG 3.45Å; G77-R81 PolarHBondContact O-N 3.34Å; G77-R81 PolarHBondContact O-NE 2.63Å; G77-R81 VanDerWaalsContact O-NE 3.16Å; Q78-R81 WeakPolarHBondContact O-CB 3.39Å; Q78-R81 PolarHBondContact O-N 3.02Å; Q78-R81 VanDerWaalsContact O-N 3.13Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.48Å; R81-K84 PolarHBondContact O-N 3.01Å; R81-L85 WeakPolarHBondContact O-CG 3.4Å; R81-L85 PolarHBondContact O-N 3.15Å |
| 82 | I | 89.4 | Confident | 85.8 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 33% | 0.333 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 175.2 | -66.5 | 167.9 | 0 | 0 | 0 | 110.5 | L74 Q78 L79 K84 L85 I86 | L74-I82 HydrophobicContact CD1-CD1 4.42Å; Q78-I82 WeakPolarHBondContact O-CG1 3.27Å; Q78-I82 PolarHBondContact O-N 3.06Å; L79-I82 PolarHBondContact O-N 2.99Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 3.11Å; I82-L85 VanDerWaalsContact O-N 3.14Å; I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 WeakPolarHBondContact O-CG1 3.3Å; I82-I86 PolarHBondContact O-N 3.05Å |
| 83 | S | 89.3 | Confident | 87.7 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 176.8 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | L79 I86 D87 | L79-S83 WeakPolarHBondContact O-CB 3.5Å; L79-S83 PolarHBondContact O-N 3.37Å; S83-I86 WeakPolarHBondContact O-CB 3.34Å; S83-I86 PolarHBondContact O-N 2.97Å; S83-D87 PolarHBondContact O-N 3.23Å |
| 84 | K | 92.4 | Very high | 89.1 | Confident | 134 Ų | 134 | 71 Ų | 71 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 176.7 | -172.1 | 179.5 | 179.3 | -178.1 | 0 | 112.4 | K80 R81 I82 I86 D87 D88 | K80-K84 PolarHBondContact O-N 2.92Å; R81-K84 PolarHBondContact O-N 3.01Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 3.08Å; K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 3.05Å; K84-D87 PolarHBondContact O-N 3.04Å; K84-D88 PolarHBondContact O-N 3.19Å |
| 85 | L | 93.2 | Very high | 90.4 | Very high | 119 Ų | 119 | 70.3 Ų | 70.3 | 62% | 0.623 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.1 | -36.8 | 175.6 | -70.5 | 172.9 | 0 | 0 | 0 | 112.2 | R81 I82 A89 | R81-L85 WeakPolarHBondContact O-CG 3.4Å; R81-L85 PolarHBondContact O-N 3.15Å; I82-L85 PolarHBondContact O-N 3.11Å; I82-L85 VanDerWaalsContact O-N 3.14Å; L85-A89 WeakPolarHBondContact O-CB 3.37Å; L85-A89 PolarHBondContact O-N 2.81Å |
| 86 | I | 92.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 69.7 Ų | 69.7 | 5% | 0.046 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 173.6 | -66.8 | 166.7 | 0 | 0 | 0 | 109.9 | W53 L56 K57 I82 S83 K84 D88 A89 M90 | W53-I86 HydrophobicContact CB-CG2 4.38Å; W53-I86 HydrophobicContact CE3-CB 4.47Å; W53-I86 HydrophobicContact CE3-CG1 4.13Å; W53-I86 HydrophobicContact CE3-CG2 4.03Å; W53-I86 HydrophobicContact CZ3-CG1 4.17Å; L56-I86 HydrophobicContact CB-CD1 4.11Å; K57-I86 HydrophobicContact CB-CG2 3.99Å; I82-I86 HydrophobicContact CG2-CD1 3.86Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 WeakPolarHBondContact O-CG1 3.3Å; I82-I86 PolarHBondContact O-N 3.05Å; S83-I86 WeakPolarHBondContact O-CB 3.34Å; S83-I86 PolarHBondContact O-N 2.97Å; K84-I86 VanDerWaalsContact C-N 3.3Å; K84-I86 PolarHBondContact O-N 3.05Å; I86-D88 PolarHBondContact O-N 3.24Å; I86-A89 PolarHBondContact O-N 3.26Å; I86-M90 HydrophobicContact CG2-CG 4.21Å; I86-M90 HydrophobicContact CG2-SD 3.8Å; I86-M90 WeakPolarHBondContact O-CB 3.46Å; I86-M90 VanDerWaalsContact O-CG 3.23Å; I86-M90 WeakPolarHBondContact O-CG 3.4Å; I86-M90 PolarHBondContact O-N 2.94Å |
| 87 | D | 93.3 | Very high | 92 | Very high | 59 Ų | 59 | 68.2 Ų | 68.2 | 32% | 0.316 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 177.2 | -70.8 | -38.1 | 0 | 0 | 0 | 111.9 | K57 S83 K84 A89 M90 A91 | K57-D87 VanDerWaalsContact CE-OD1 3.27Å; K57-D87 WeakPolarHBondContact CE-OD1 3.45Å; K57-D87 IonicContact NZ-OD1 3.86Å; K57-D87 PolarHBondContact NZ-OD1 3.25Å; S83-D87 PolarHBondContact O-N 3.23Å; K84-D87 PolarHBondContact O-N 3.04Å; D87-A89 PolarHBondContact O-N 3.44Å; D87-M90 PolarHBondContact O-N 2.9Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 2.97Å |
| 88 | D | 94.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 42% | 0.422 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 176.3 | -68.7 | -21.7 | 0 | 0 | 0 | 111.8 | K84 I86 K92 | K84-D88 PolarHBondContact O-N 3.19Å; I86-D88 PolarHBondContact O-N 3.24Å; D88-K92 WeakPolarHBondContact O-CG 3.49Å; D88-K92 PolarHBondContact O-N 3.04Å; D88-K92 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 94.2 | Very high | 93.1 | Very high | 26 Ų | 26 | 74.5 Ų | 74.5 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W53 L85 I86 D87 K92 N93 | W53-A89 HydrophobicContact CD2-CB 4.43Å; W53-A89 HydrophobicContact CH2-CB 4.31Å; W53-A89 HydrophobicContact CZ2-CB 3.95Å; L85-A89 WeakPolarHBondContact O-CB 3.37Å; L85-A89 PolarHBondContact O-N 2.81Å; I86-A89 PolarHBondContact O-N 3.26Å; D87-A89 PolarHBondContact O-N 3.44Å; A89-K92 PolarHBondContact O-N 3.44Å; A89-N93 VanDerWaalsContact O-CB 3.3Å; A89-N93 WeakPolarHBondContact O-CB 3.46Å; A89-N93 PolarHBondContact O-N 2.68Å |
| 90 | M | 94.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 74.6 Ų | 74.6 | 20% | 0.202 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | -75.1 | 176.4 | 64.7 | 0 | 0 | 111.5 | W53 N54 K57 I86 D87 N93 L94 | W53-M90 HydrophobicContact CB-CG 3.44Å; W53-M90 VanDerWaalsContact CB-CG 3.44Å; W53-M90 HydrophobicContact CB-SD 4Å; W53-M90 HydrophobicContact CG-CG 3.99Å; N54-M90 WeakPolarHBondContact OD1-CE 3.25Å; K57-M90 HydrophobicContact CD-CE 4.48Å; K57-M90 HydrophobicContact CD-SD 3.94Å; I86-M90 HydrophobicContact CG2-CG 4.21Å; I86-M90 HydrophobicContact CG2-SD 3.8Å; I86-M90 WeakPolarHBondContact O-CB 3.46Å; I86-M90 VanDerWaalsContact O-CG 3.23Å; I86-M90 WeakPolarHBondContact O-CG 3.4Å; I86-M90 PolarHBondContact O-N 2.94Å; D87-M90 PolarHBondContact O-N 2.9Å; M90-N93 PolarHBondContact O-N 3.32Å; M90-L94 WeakPolarHBondContact O-CB 3.25Å; M90-L94 PolarHBondContact O-N 3.36Å |
| 91 | A | 95.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 49% | 0.488 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D87 L94 A95 | D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 2.97Å; A91-L94 PolarHBondContact O-N 3.38Å; A91-A95 PolarHBondContact O-N 2.82Å; A91-A95 VanDerWaalsContact O-N 3.08Å |
| 92 | K | 95.5 | Very high | 94.3 | Very high | 159 Ų | 159 | 70.9 Ų | 70.9 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 174.8 | -71.9 | 177.7 | -176.6 | 180 | 0 | 112.4 | D88 A89 A95 S96 | D88-K92 WeakPolarHBondContact O-CG 3.49Å; D88-K92 PolarHBondContact O-N 3.04Å; D88-K92 VanDerWaalsContact O-N 3.12Å; A89-K92 PolarHBondContact O-N 3.44Å; K92-A95 PolarHBondContact O-N 3.44Å; K92-S96 PolarHBondContact O-N 3.13Å |
| 93 | N | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 179.4 | -172.3 | 80.4 | 0 | 0 | 0 | 111.7 | S46 A89 M90 S96 M97 | S46-N93 PolarHBondContact O-ND2 2.98Å; S46-N93 PolarHBondContact O-OD1 3.17Å; A89-N93 VanDerWaalsContact O-CB 3.3Å; A89-N93 WeakPolarHBondContact O-CB 3.46Å; A89-N93 PolarHBondContact O-N 2.68Å; M90-N93 PolarHBondContact O-N 3.32Å; N93-S96 WeakPolarHBondContact O-CB 3.12Å; N93-S96 PolarHBondContact O-N 2.86Å; N93-M97 WeakPolarHBondContact O-CG 3.25Å; N93-M97 PolarHBondContact O-N 3.1Å |
| 94 | L | 94.9 | Very high | 94.9 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 175.2 | -176.7 | 63.5 | 0 | 0 | 0 | 111.5 | M90 A91 S96 M97 E98 | M90-L94 WeakPolarHBondContact O-CB 3.25Å; M90-L94 PolarHBondContact O-N 3.36Å; A91-L94 PolarHBondContact O-N 3.38Å; L94-S96 VanDerWaalsContact C-N 3.27Å; L94-S96 PolarHBondContact O-N 3.1Å; L94-M97 WeakPolarHBondContact O-CB 3.26Å; L94-M97 PolarHBondContact O-N 3.09Å; L94-E98 PolarHBondContact O-N 2.92Å |
| 95 | A | 95.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 69.8 Ų | 69.8 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A91 K92 E98 M99 | A91-A95 PolarHBondContact O-N 2.82Å; A91-A95 VanDerWaalsContact O-N 3.08Å; K92-A95 PolarHBondContact O-N 3.44Å; A95-E98 PolarHBondContact O-N 3.29Å; A95-M99 PolarHBondContact O-N 3.21Å; A95-M99 VanDerWaalsContact O-N 3.09Å |
| 96 | S | 95.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 68.5 Ų | 68.5 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | K92 N93 L94 M99 L100 | K92-S96 PolarHBondContact O-N 3.13Å; N93-S96 WeakPolarHBondContact O-CB 3.12Å; N93-S96 PolarHBondContact O-N 2.86Å; L94-S96 VanDerWaalsContact C-N 3.27Å; L94-S96 PolarHBondContact O-N 3.1Å; S96-M99 PolarHBondContact O-N 3.35Å; S96-L100 WeakPolarHBondContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CD1 3.32Å; S96-L100 WeakPolarHBondContact O-CG 3.34Å; S96-L100 PolarHBondContact O-N 3.43Å |
| 97 | M | 96.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 8% | 0.079 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.7 | -73.1 | 177.1 | 63.4 | 0 | 0 | 112.1 | W43 S46 R47 A50 N93 L94 L100 E101 | W43-M97 HydrophobicContact CZ2-CE 4.27Å; S46-M97 VanDerWaalsContact CB-CG 3.44Å; R47-M97 HydrophobicContact CB-CE 3.93Å; R47-M97 HydrophobicContact CG-CE 4.42Å; A50-M97 HydrophobicContact CB-SD 4.24Å; N93-M97 WeakPolarHBondContact O-CG 3.25Å; N93-M97 PolarHBondContact O-N 3.1Å; L94-M97 WeakPolarHBondContact O-CB 3.26Å; L94-M97 PolarHBondContact O-N 3.09Å; M97-L100 PolarHBondContact O-N 2.82Å; M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 PolarHBondContact O-N 3.38Å |
| 98 | E | 96.1 | Very high | 94.9 | Very high | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 177.4 | -70.4 | 174.2 | -179.1 | 0 | 0 | 111.7 | L94 A95 E101 K102 | L94-E98 PolarHBondContact O-N 2.92Å; A95-E98 PolarHBondContact O-N 3.29Å; E98-E101 PolarHBondContact O-N 3.31Å; E98-K102 PolarHBondContact O-N 3.49Å |
| 99 | M | 96.5 | Very high | 94.7 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 61% | 0.611 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | 175.5 | -179.7 | -179 | 176.6 | 0 | 0 | 111.9 | A95 S96 E101 K102 M103 | A95-M99 PolarHBondContact O-N 3.21Å; A95-M99 VanDerWaalsContact O-N 3.09Å; S96-M99 PolarHBondContact O-N 3.35Å; M99-E101 VanDerWaalsContact C-N 3.33Å; M99-E101 PolarHBondContact O-N 2.87Å; M99-K102 PolarHBondContact O-N 3.22Å; M99-M103 HydrophobicContact CE-SD 3.87Å; M99-M103 HydrophobicContact CG-SD 4.18Å; M99-M103 WeakPolarHBondContact O-CG 3.28Å; M99-M103 PolarHBondContact O-N 3Å |
| 100 | L | 96.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 180 | -71.5 | 166.6 | 0 | 0 | 0 | 112.1 | Q42 W43 S96 M97 R104 | Q42-L100 HydrophobicContact CB-CD1 3.81Å; Q42-L100 HydrophobicContact CB-CD2 3.83Å; Q42-L100 HydrophobicContact CB-CG 4.47Å; Q42-L100 VanDerWaalsContact OE1-CD2 3.27Å; W43-L100 HydrophobicContact CB-CB 4.06Å; W43-L100 HydrophobicContact CB-CD1 4.45Å; S96-L100 WeakPolarHBondContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CD1 3.32Å; S96-L100 WeakPolarHBondContact O-CG 3.34Å; S96-L100 PolarHBondContact O-N 3.43Å; M97-L100 PolarHBondContact O-N 2.82Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 2.85Å |
| 101 | E | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 65.3 Ų | 65.3 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 175.6 | -179.5 | 157.6 | -158.5 | 0 | 0 | 111.8 | M97 E98 M99 R104 F105 | M97-E101 WeakPolarHBondContact O-CB 3.4Å; M97-E101 PolarHBondContact O-N 3.38Å; E98-E101 PolarHBondContact O-N 3.31Å; M99-E101 VanDerWaalsContact C-N 3.33Å; M99-E101 PolarHBondContact O-N 2.87Å; E101-R104 PolarHBondContact O-N 3.48Å; E101-R104 IonicContact OE1-NH2 2.98Å; E101-F105 VanDerWaalsContact O-CB 3.28Å; E101-F105 WeakPolarHBondContact O-CB 3.49Å; E101-F105 PolarHBondContact O-N 2.88Å |
| 102 | K | 94.4 | Very high | 94.7 | Very high | 132 Ų | 132 | 62.6 Ų | 62.6 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.2 | -51 | 174 | -178.1 | 178.2 | 172 | -178.5 | 0 | 111.7 | E98 M99 R104 F105 E106 | E98-K102 PolarHBondContact O-N 3.49Å; M99-K102 PolarHBondContact O-N 3.22Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.43Å; K102-F105 PolarHBondContact O-N 3.06Å; K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 HydrophobicContact CG-CG 4.49Å; K102-E106 IonicContact NZ-OE1 3.88Å; K102-E106 WeakPolarHBondContact O-CG 3.39Å; K102-E106 PolarHBondContact O-N 2.9Å |
| 103 | M | 94.9 | Very high | 94.7 | Very high | 93 Ų | 93 | 55.2 Ų | 55.2 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.9 | -70.6 | 175.1 | 66.3 | 0 | 0 | 111.9 | M99 F105 E106 A107 | M99-M103 HydrophobicContact CE-SD 3.87Å; M99-M103 HydrophobicContact CG-SD 4.18Å; M99-M103 WeakPolarHBondContact O-CG 3.28Å; M99-M103 PolarHBondContact O-N 3Å; M103-F105 VanDerWaalsContact C-N 3.33Å; M103-F105 PolarHBondContact O-N 3.14Å; M103-E106 PolarHBondContact O-N 3.07Å; M103-A107 PolarHBondContact O-N 2.84Å; M103-A107 VanDerWaalsContact O-N 3.17Å |
| 104 | R | 95.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 56.2 Ų | 56.2 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 176.1 | -178.1 | -178.4 | 64.8 | -166.3 | -7.3 | 110.9 | L5 V36 A39 D40 L100 E101 K102 L108 | L5-R104 HydrophobicContact CD1-CG 4.46Å; V36-R104 HydrophobicContact CG1-CG 4.33Å; A39-R104 HydrophobicContact CB-CB 3.88Å; D40-R104 IonicContact OD1-CZ 3.9Å; D40-R104 IonicContact OD1-NH1 2.74Å; D40-R104 PolarHBondContact OD1-NH1 3.42Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 PolarHBondContact O-N 2.85Å; E101-R104 PolarHBondContact O-N 3.48Å; E101-R104 IonicContact OE1-NH2 2.98Å; K102-R104 VanDerWaalsContact C-N 3.35Å; K102-R104 PolarHBondContact O-N 3.43Å; R104-L108 WeakPolarHBondContact O-CB 3.19Å; R104-L108 PolarHBondContact O-N 2.83Å |
| 105 | F | 92.7 | Very high | 94.9 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | -178.1 | -173.7 | -103.7 | 0 | 0 | 0 | 112.3 | V2 E101 K102 M103 A107 L108 T109 | V2-F105 HydrophobicContact CG1-CE2 4.22Å; E101-F105 VanDerWaalsContact O-CB 3.28Å; E101-F105 WeakPolarHBondContact O-CB 3.49Å; E101-F105 PolarHBondContact O-N 2.88Å; K102-F105 PolarHBondContact O-N 3.06Å; M103-F105 VanDerWaalsContact C-N 3.33Å; M103-F105 PolarHBondContact O-N 3.14Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 2.9Å; F105-L108 PolarHBondContact O-N 3.48Å; F105-T109 HydrophobicContact CD1-CG2 4.06Å; F105-T109 HydrophobicContact CD2-CG2 4.39Å; F105-T109 HydrophobicContact CE1-CG2 3.67Å; F105-T109 HydrophobicContact CE2-CG2 4.03Å; F105-T109 HydrophobicContact CG-CG2 4.41Å; F105-T109 HydrophobicContact CZ-CG2 3.65Å; F105-T109 WeakPolarHBondContact O-CG2 3.46Å; F105-T109 PolarHBondContact O-N 3.47Å; F105-T109 PolarHBondContact O-OG1 3.42Å |
| 106 | E | 92.1 | Very high | 94.9 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 176.8 | -74.5 | 172.1 | 175.2 | 0 | 0 | 112 | K102 M103 T109 Q110 | K102-E106 WeakPolarHBondContact CE-OE1 3.43Å; K102-E106 HydrophobicContact CG-CG 4.49Å; K102-E106 IonicContact NZ-OE1 3.88Å; K102-E106 WeakPolarHBondContact O-CG 3.39Å; K102-E106 PolarHBondContact O-N 2.9Å; M103-E106 PolarHBondContact O-N 3.07Å; E106-T109 PolarHBondContact O-OG1 3.45Å; E106-Q110 PolarHBondContact O-NE2 3.02Å; E106-Q110 VanDerWaalsContact O-NE2 3.1Å |
| 107 | A | 93.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L32 Q35 V36 M103 F105 T109 Q110 | L32-A107 HydrophobicContact CD2-CB 4.26Å; Q35-A107 HydrophobicContact CB-CB 4.19Å; V36-A107 HydrophobicContact CG2-CB 3.63Å; M103-A107 PolarHBondContact O-N 2.84Å; M103-A107 VanDerWaalsContact O-N 3.17Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 2.9Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 3.37Å; A107-Q110 PolarHBondContact O-N 3.27Å; A107-Q110 VanDerWaalsContact O-N 3.16Å |
| 108 | L | 93.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -36.5 | -177.7 | -169.3 | 67.9 | 0 | 0 | 0 | 113 | V2 V3 F8 V36 R104 F105 Q110 I111 | V2-L108 HydrophobicContact CB-CD2 3.89Å; V2-L108 HydrophobicContact CB-CG 3.95Å; V2-L108 HydrophobicContact CG1-CB 4.46Å; V2-L108 HydrophobicContact CG1-CD2 3.93Å; V2-L108 HydrophobicContact CG1-CG 3.89Å; V2-L108 HydrophobicContact CG2-CD2 4.32Å; V3-L108 HydrophobicContact CG2-CD1 3.66Å; F8-L108 HydrophobicContact CD2-CD1 4.49Å; F8-L108 HydrophobicContact CE2-CD1 3.57Å; F8-L108 HydrophobicContact CZ-CD1 3.7Å; V36-L108 HydrophobicContact CG1-CD1 4.26Å; V36-L108 HydrophobicContact CG2-CB 4.2Å; V36-L108 HydrophobicContact CG2-CD1 4.35Å; R104-L108 WeakPolarHBondContact O-CB 3.19Å; R104-L108 PolarHBondContact O-N 2.83Å; F105-L108 PolarHBondContact O-N 3.48Å; L108-Q110 PolarHBondContact O-N 3.33Å; L108-I111 PolarHBondContact O-N 2.71Å |
| 109 | T | 91.1 | Very high | 94.7 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.8 | 178.8 | 56 | 0 | 0 | 0 | 0 | 114.4 | V2 F105 E106 A107 | V2-T109 HydrophobicContact CG1-CG2 4Å; F105-T109 HydrophobicContact CD1-CG2 4.06Å; F105-T109 HydrophobicContact CD2-CG2 4.39Å; F105-T109 HydrophobicContact CE1-CG2 3.67Å; F105-T109 HydrophobicContact CE2-CG2 4.03Å; F105-T109 HydrophobicContact CG-CG2 4.41Å; F105-T109 HydrophobicContact CZ-CG2 3.65Å; F105-T109 WeakPolarHBondContact O-CG2 3.46Å; F105-T109 PolarHBondContact O-N 3.47Å; F105-T109 PolarHBondContact O-OG1 3.42Å; E106-T109 PolarHBondContact O-OG1 3.45Å; A107-T109 VanDerWaalsContact C-N 3.33Å; A107-T109 PolarHBondContact O-N 3.37Å |
| 110 | Q | 91.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.3 | 178 | -66.5 | 176.3 | 72.2 | 0 | 0 | 113.1 | L32 E106 A107 L108 | L32-Q110 HydrophobicContact CD1-CB 3.77Å; E106-Q110 PolarHBondContact O-NE2 3.02Å; E106-Q110 VanDerWaalsContact O-NE2 3.1Å; A107-Q110 PolarHBondContact O-N 3.27Å; A107-Q110 VanDerWaalsContact O-N 3.16Å; L108-Q110 PolarHBondContact O-N 3.33Å |
| 111 | I | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -86.5 | 119.7 | 177.1 | -65 | 175.3 | 0 | 0 | 0 | 108.7 | V3 F8 I19 Q23 L32 V33 V36 L108 Y377 | V3-I111 HydrophobicContact CG2-CB 4.37Å; V3-I111 HydrophobicContact CG2-CG2 3.88Å; F8-I111 HydrophobicContact CE1-CD1 3.75Å; F8-I111 HydrophobicContact CZ-CD1 3.68Å; F8-I111 HydrophobicContact CZ-CG2 4.41Å; I19-I111 HydrophobicContact CG2-CG2 3.9Å; Q23-I111 HydrophobicContact CG-CG2 4.16Å; L32-I111 HydrophobicContact CB-CD1 4.34Å; L32-I111 HydrophobicContact CB-CG1 4.11Å; V33-I111 HydrophobicContact CG2-CD1 4.31Å; V36-I111 HydrophobicContact CG2-CD1 3.79Å; L108-I111 PolarHBondContact O-N 2.71Å; I111-Y377 PolarHBondContact O-OH 3.29Å; I111-Y377 VanDerWaalsContact O-OH 3.11Å |
| 112 | G | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 162.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V3 N347 | V3-G112 WeakPolarHBondContact CG1-O 3.25Å; G112-N347 CarbonylContact C-O 3.58Å; G112-N347 WeakPolarHBondContact CA-O 3.5Å |
| 113 | N | 97 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 159.3 | 173.9 | -162.5 | 1.4 | 0 | 0 | 0 | 111.5 | S22 R26 V115 N347 A348 C374 T375 Y377 | S22-N113 PolarHBondContact OG-O 3.49Å; R26-N113 PolarHBondContact NE-O 2.76Å; R26-N113 PolarHBondContact NH2-O 3.31Å; N113-V115 PolarHBondContact O-N 3.44Å; N113-N347 VanDerWaalsContact CB-O 3.32Å; N113-N347 WeakPolarHBondContact CB-O 3.11Å; N113-N347 PolarHBondContact N-O 3.35Å; N113-A348 WeakPolarHBondContact CB-O 3.49Å; N113-A348 PolarHBondContact ND2-O 3.01Å; N113-C374 PolarHBondContact ND2-O 3.35Å; N113-T375 PolarHBondContact ND2-OG1 3.33Å; N113-T375 PolarHBondContact OD1-OG1 3.34Å; N113-Y377 HydrophobicContact CB-CD2 3.76Å; N113-Y377 HydrophobicContact CB-CE2 4.34Å; N113-Y377 HydrophobicContact CB-CG 4.06Å |
| 114 | I | 97 | Very high | 93.1 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 119 | 178.6 | -54.9 | -56 | 0 | 0 | 0 | 109.4 | L18 I19 S22 H116 A350 | L18-I114 HydrophobicContact CD1-CG2 4.33Å; L18-I114 HydrophobicContact CD2-CG2 4.38Å; L18-I114 HydrophobicContact CG-CD1 4.45Å; L18-I114 HydrophobicContact CG-CG2 4.29Å; I19-I114 HydrophobicContact CG1-CD1 4.3Å; S22-I114 WeakPolarHBondContact OG-CA 3.33Å; I114-H116 PolarHBondContact O-N 3.09Å; I114-A350 VanDerWaalsContact O-CB 3.22Å; I114-A350 WeakPolarHBondContact O-CB 3.3Å |
| 115 | V | 96.9 | Very high | 92 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 127 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | S22 K25 R26 N113 V119 L345 | S22-V115 PolarHBondContact OG-N 2.97Å; S22-V115 VanDerWaalsContact OG-N 3.1Å; K25-V115 HydrophobicContact CB-CG2 4.44Å; K25-V115 HydrophobicContact CD-CB 4.46Å; K25-V115 HydrophobicContact CD-CG1 4.46Å; R26-V115 HydrophobicContact CG-CG2 3.72Å; N113-V115 PolarHBondContact O-N 3.44Å; V115-V119 HydrophobicContact CG1-CB 3.56Å; V115-V119 HydrophobicContact CG1-CG1 3.78Å; V115-V119 HydrophobicContact CG1-CG2 3.92Å; V115-L345 HydrophobicContact CG1-CD1 4.4Å; V115-L345 HydrophobicContact CG2-CD1 4.47Å |
| 116 | H | 96.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 141.2 | 176.1 | -176.4 | -100.1 | 0 | 0 | 0 | 111 | I114 S118 V119 W314 A350 K351 | I114-H116 PolarHBondContact O-N 3.09Å; H116-S118 PolarHBondContact CE1-OG 3.28Å; H116-S118 WeakPolarHBondContact ND1-CB 3.49Å; H116-S118 PolarHBondContact ND1-N 2.88Å; H116-S118 VanDerWaalsContact ND1-N 3.18Å; H116-S118 PolarHBondContact ND1-OG 2.65Å; H116-S118 PolarHBondContact O-N 2.99Å; H116-V119 HydrophobicContact CB-CG2 4.11Å; H116-V119 WeakPolarHBondContact O-CB 3.49Å; H116-V119 WeakPolarHBondContact O-CG2 3.32Å; H116-V119 PolarHBondContact O-N 3.44Å; H116-W314 HydrophobicContact CB-CH2 3.67Å; H116-W314 HydrophobicContact CB-CZ2 4.4Å; H116-W314 HydrophobicContact CB-CZ3 4.03Å; H116-W314 AromaticContact CD2-CE2 3.79Å; H116-W314 AromaticContact CD2-CH2 3.49Å; H116-W314 VanDerWaalsContact CD2-CH2 3.49Å; H116-W314 WeakPolarHBondContact CD2-CH2 3.46Å; H116-W314 AromaticContact CD2-CZ2 3.5Å; H116-W314 VanDerWaalsContact CD2-CZ2 3.5Å; H116-W314 WeakPolarHBondContact CD2-CZ2 3.43Å; H116-W314 AromaticContact CD2-CZ3 3.76Å; H116-W314 AromaticContact CG-CH2 3.77Å; H116-W314 AromaticContact CG-CZ3 3.9Å; H116-A350 PolarHBondContact N-O 3.5Å; H116-K351 HydrophobicContact CB-CB 4.01Å; H116-K351 HydrophobicContact CB-CD 4.5Å |
| 117 | Q | 94.6 | Very high | 89.9 | Confident | 177 Ų | 177 | 54.2 Ų | 54.2 | 83% | 0.827 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -24.8 | -175.6 | 63.2 | -174.9 | -0.8 | 0 | 0 | 115 | V119 | Q117-V119 VanDerWaalsContact C-N 3.33Š|
| 118 | S | 94 | Very high | 88.8 | Confident | 56 Ų | 56 | 55.7 Ų | 55.7 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.8 | 178.7 | 83.5 | 0 | 0 | 0 | 0 | 114.3 | H116 K351 | H116-S118 PolarHBondContact CE1-OG 3.28Å; H116-S118 WeakPolarHBondContact ND1-CB 3.49Å; H116-S118 PolarHBondContact ND1-N 2.88Å; H116-S118 VanDerWaalsContact ND1-N 3.18Å; H116-S118 PolarHBondContact ND1-OG 2.65Å; H116-S118 PolarHBondContact O-N 2.99Å; S118-K351 WeakPolarHBondContact OG-CE 3.49Å; S118-K351 PolarHBondContact OG-NZ 2.65Å |
| 119 | V | 94.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -77 | 130.9 | -178.4 | 172.3 | 0 | 0 | 0 | 0 | 109.1 | V115 H116 Q117 F121 L345 K351 | V115-V119 HydrophobicContact CG1-CB 3.56Å; V115-V119 HydrophobicContact CG1-CG1 3.78Å; V115-V119 HydrophobicContact CG1-CG2 3.92Å; H116-V119 HydrophobicContact CB-CG2 4.11Å; H116-V119 WeakPolarHBondContact O-CB 3.49Å; H116-V119 WeakPolarHBondContact O-CG2 3.32Å; H116-V119 PolarHBondContact O-N 3.44Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; V119-F121 PolarHBondContact O-N 3.38Å; V119-L345 HydrophobicContact CG1-CD1 3.93Å; V119-L345 HydrophobicContact CG2-CD1 4.29Å; V119-K351 HydrophobicContact CG2-CB 4.08Å; V119-K351 HydrophobicContact CG2-CG 3.98Å |
| 120 | P | 92.4 | Very high | 87.7 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | trans | -63.3 | 126.2 | 177.3 | -11.4 | 21.9 | 0 | 0 | 0 | 110.8 | S122 I130 C339 V341 S342 | P120-S122 PolarHBondContact O-N 2.7Å; P120-I130 HydrophobicContact CB-CD1 3.9Å; P120-I130 HydrophobicContact CB-CG1 4.08Å; P120-I130 HydrophobicContact CG-CB 4.18Å; P120-I130 HydrophobicContact CG-CD1 3.63Å; P120-I130 HydrophobicContact CG-CG1 3.67Å; P120-C339 VanDerWaalsContact CD-SG 3.6Å; P120-C339 HydrophobicContact CG-CB 4.31Å; P120-V341 HydrophobicContact CB-CG1 4.26Å; P120-V341 WeakPolarHBondContact O-CA 3.3Å; P120-S342 PolarHBondContact O-N 2.86Å; P120-S342 PolarHBondContact O-OG 3.39Å | ||
| 121 | F | 91.8 | Very high | 87.7 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | trans | -77.8 | 102.4 | 175.3 | 174.2 | -117.4 | 0 | 0 | 0 | 110.5 | K25 F27 V119 S342 | K25-F121 HydrophobicContact CB-CD2 4.13Å; K25-F121 HydrophobicContact CB-CE2 4.49Å; K25-F121 HydrophobicContact CG-CD2 3.95Å; K25-F121 HydrophobicContact CG-CE2 4.43Å; F27-F121 HydrophobicContact CE1-CE2 4.18Å; F27-F121 HydrophobicContact CE1-CZ 4.11Å; F27-F121 HydrophobicContact CE2-CD2 4.06Å; F27-F121 AromaticContact CE2-CE2 3.66Å; F27-F121 HydrophobicContact CE2-CE2 3.66Å; F27-F121 HydrophobicContact CE2-CZ 4.34Å; F27-F121 HydrophobicContact CZ-CD2 4.11Å; F27-F121 HydrophobicContact CZ-CE1 4.41Å; F27-F121 AromaticContact CZ-CE2 3.44Å; F27-F121 HydrophobicContact CZ-CE2 3.44Å; F27-F121 VanDerWaalsContact CZ-CE2 3.44Å; F27-F121 AromaticContact CZ-CZ 3.65Å; F27-F121 HydrophobicContact CZ-CZ 3.65Å; V119-F121 PolarHBondContact O-N 3.38Å; F121-S342 WeakPolarHBondContact CA-OG 3.45Å | ||
| 122 | S | 91.9 | Very high | 87.7 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | trans | -165.9 | 151.8 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 112 | F27 P120 N124 S128 V341 S342 G343 | F27-S122 WeakPolarHBondContact CE2-O 3.5Å; P120-S122 PolarHBondContact O-N 2.7Å; S122-N124 PolarHBondContact OG-N 3.5Å; S122-N124 VanDerWaalsContact OG-N 3.12Å; S122-N124 PolarHBondContact OG-O 3.27Å; S122-S128 VanDerWaalsContact CB-CB 3.43Å; S122-S128 VanDerWaalsContact CB-OG 3.32Å; S122-S128 WeakPolarHBondContact CB-OG 3.48Å; S122-S128 WeakPolarHBondContact OG-CB 3.44Å; S122-S128 PolarHBondContact OG-OG 3.2Å; S122-V341 WeakPolarHBondContact O-CB 3.14Å; S122-V341 WeakPolarHBondContact O-CG2 3.38Å; S122-S342 PolarHBondContact N-OG 2.97Å; S122-G343 PolarHBondContact O-N 2.96Å | ||
| 123 | N | 87.6 | Confident | 87.7 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 40% | 0.401 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -101.4 | 4 | 171.4 | -154.9 | 34.5 | 0 | 0 | 0 | 112.8 | F27 | F27-N123 HydrophobicContact CD1-CB 3.78Å; F27-N123 HydrophobicContact CD2-CB 3.59Å; F27-N123 HydrophobicContact CE1-CB 3.8Å; F27-N123 HydrophobicContact CE2-CB 3.65Å; F27-N123 HydrophobicContact CG-CB 3.69Å; F27-N123 HydrophobicContact CZ-CB 3.74Å |
| 124 | N | 80.5 | Confident | 87.7 | Confident | 106 Ų | 106 | 71.7 Ų | 71.7 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | trans | -126.1 | 112.8 | -178.8 | -70.9 | -45.7 | 0 | 0 | 0 | 109 | S122 P127 S128 | S122-N124 PolarHBondContact OG-N 3.5Å; S122-N124 VanDerWaalsContact OG-N 3.12Å; S122-N124 PolarHBondContact OG-O 3.27Å; N124-P127 HydrophobicContact CB-CG 4Å; N124-S128 VanDerWaalsContact O-CB 3.31Å; N124-S128 WeakPolarHBondContact O-CB 3.46Å; N124-S128 PolarHBondContact O-OG 3.14Å | ||
| 125 | E | 72.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 28% | 0.28 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -60.1 | 178.7 | -75.2 | -156.5 | 159.8 | 0 | 0 | 112.4 | S128 K129 V341 E344 | E125-S128 CarbonylContact O-C 3.57Å; E125-S128 PolarHBondContact O-N 2.75Å; E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.43Å; E125-K129 WeakPolarHBondContact OE2-CE 3.39Å; E125-K129 IonicContact OE2-NZ 3.23Å; E125-K129 PolarHBondContact OE2-NZ 3.5Å; E125-V341 HydrophobicContact CG-CG2 4.31Å; E125-E344 HydrophobicContact CG-CB 4.39Å; E125-E344 HydrophobicContact CG-CG 3.61Å |
| 126 | V | 70 | Confident | 87.8 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 80% | 0.8 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.9 | -51.9 | -161.5 | -179.5 | 0 | 0 | 0 | 0 | 114 | S128 | V126-S128 VanDerWaalsContact C-N 3.27Å; V126-S128 PolarHBondContact O-N 3.24Å |
| 127 | P | 69.6 | Low | 87.8 | Confident | 109 Ų | 109 | 77.8 Ų | 77.8 | 71% | 0.708 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -76.8 | -13.6 | -179.6 | 30.6 | -34.4 | 0 | 0 | 0 | 113.5 | N124 | N124-P127 HydrophobicContact CB-CG 4Å |
| 128 | S | 71.9 | Confident | 87.8 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -117.2 | 1 | -168.4 | -26.5 | 0 | 0 | 0 | 0 | 113.8 | S122 N124 E125 V126 I130 | S122-S128 VanDerWaalsContact CB-CB 3.43Å; S122-S128 VanDerWaalsContact CB-OG 3.32Å; S122-S128 WeakPolarHBondContact CB-OG 3.48Å; S122-S128 WeakPolarHBondContact OG-CB 3.44Å; S122-S128 PolarHBondContact OG-OG 3.2Å; N124-S128 VanDerWaalsContact O-CB 3.31Å; N124-S128 WeakPolarHBondContact O-CB 3.46Å; N124-S128 PolarHBondContact O-OG 3.14Å; E125-S128 CarbonylContact O-C 3.57Å; E125-S128 PolarHBondContact O-N 2.75Å; V126-S128 VanDerWaalsContact C-N 3.27Å; V126-S128 PolarHBondContact O-N 3.24Å; S128-I130 PolarHBondContact O-N 2.91Å; S128-I130 VanDerWaalsContact O-N 3.13Å |
| 129 | K | 73.5 | Confident | 87.9 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 22% | 0.217 | 41% | 0.408 | C | S | . | . | trans | -60.3 | 114.1 | 174.4 | -86.8 | -176.2 | -167.2 | -157.7 | 0 | 109.5 | E125 V131 E356 | E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.43Å; E125-K129 WeakPolarHBondContact OE2-CE 3.39Å; E125-K129 IonicContact OE2-NZ 3.23Å; E125-K129 PolarHBondContact OE2-NZ 3.5Å; K129-V131 PolarHBondContact O-N 3.32Å; K129-E356 IonicContact NZ-OE1 3.64Å; K129-E356 PolarHBondContact NZ-OE1 3.43Å | ||
| 130 | I | 86.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.9 | 170.5 | -59.3 | -168.4 | 0 | 0 | 0 | 107.8 | P120 S128 V132 V338 C339 | P120-I130 HydrophobicContact CB-CD1 3.9Å; P120-I130 HydrophobicContact CB-CG1 4.08Å; P120-I130 HydrophobicContact CG-CB 4.18Å; P120-I130 HydrophobicContact CG-CD1 3.63Å; P120-I130 HydrophobicContact CG-CG1 3.67Å; S128-I130 PolarHBondContact O-N 2.91Å; S128-I130 VanDerWaalsContact O-N 3.13Å; I130-V132 PolarHBondContact O-N 2.89Å; I130-V338 WeakPolarHBondContact O-CA 3.33Å; I130-C339 PolarHBondContact O-N 3.24Å |
| 131 | V | 92.5 | Very high | 88 | Confident | 67 Ų | 67 | 82.9 Ų | 82.9 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 116.2 | 168.5 | -179.4 | 0 | 0 | 0 | 0 | 108 | K129 T134 R336 V337 V338 | K129-V131 PolarHBondContact O-N 3.32Å; V131-T134 HydrophobicContact CG1-CG2 3.7Å; V131-R336 HydrophobicContact CG1-CB 4.1Å; V131-V337 CarbonylContact C-O 3.53Å; V131-V338 HydrophobicContact CG2-CG1 4.18Å |
| 132 | V | 93.2 | Very high | 88.2 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -43.3 | -177.4 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | I130 V337 C339 | I130-V132 PolarHBondContact O-N 2.89Å; V132-V337 HydrophobicContact CB-CG1 4.42Å; V132-V337 PolarHBondContact N-O 3.16Å; V132-C339 HydrophobicContact CG2-CB 4.03Å |
| 133 | R | 96.7 | Very high | 88.4 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 43% | 0.426 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156.4 | -178.4 | -58.7 | 179.7 | -169 | 161.6 | 2.3 | 110.4 | E325 R336 V337 | R133-E325 IonicContact CZ-OE1 2.64Å; R133-E325 IonicContact NH1-OE1 2.7Å; R133-E325 PolarHBondContact NH1-OE1 3.22Å; R133-R336 CarbonylContact O-C 3.55Å; R133-R336 WeakPolarHBondContact O-CA 3.24Å; R133-V337 HydrophobicContact CB-CB 4.26Å; R133-V337 HydrophobicContact CB-CG2 4.37Å; R133-V337 PolarHBondContact N-O 3.04Å; R133-V337 PolarHBondContact O-N 2.86Å |
| 134 | T | 97.7 | Very high | 88.8 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.3 | 172.2 | 52.7 | 0 | 0 | 0 | 0 | 110 | V131 L138 Y335 R336 | V131-T134 HydrophobicContact CG1-CG2 3.7Å; T134-L138 HydrophobicContact CG2-CD1 3.71Å; T134-Y335 WeakPolarHBondContact CA-O 3.49Å; T134-R336 HydrophobicContact CG2-CB 4.02Å |
| 135 | W | 98.5 | Very high | 89.5 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 140.9 | 176.1 | -172.6 | 92.1 | 0 | 0 | 0 | 111.2 | L138 Q329 E332 P334 Y335 | W135-L138 WeakPolarHBondContact O-CD2 3.22Å; W135-Q329 HydrophobicContact CD2-CG 3.77Å; W135-Q329 HydrophobicContact CE3-CG 4.31Å; W135-Q329 HydrophobicContact CG-CG 4.05Å; W135-Q329 HydrophobicContact CZ2-CB 4.13Å; W135-Q329 HydrophobicContact CZ2-CG 4.04Å; W135-E332 HydrophobicContact CH2-CB 4.26Å; W135-P334 WeakPolarHBondContact O-CA 3.41Å; W135-Y335 HydrophobicContact CB-CD1 4.1Å; W135-Y335 HydrophobicContact CB-CE1 3.58Å; W135-Y335 HydrophobicContact CB-CE2 4.02Å; W135-Y335 HydrophobicContact CD2-CE1 4.17Å; W135-Y335 HydrophobicContact CE3-CD1 4.23Å; W135-Y335 HydrophobicContact CE3-CE1 4.08Å; W135-Y335 AromaticContact CG-CE1 3.98Å; W135-Y335 HydrophobicContact CG-CE1 3.98Å; W135-Y335 PolarHBondContact N-O 3.28Å; W135-Y335 PolarHBondContact O-N 2.93Å |
| 136 | G | 97.3 | Very high | 90.7 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 77.6 | -171.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 137 | N | 95.7 | Very high | 91.9 | Very high | 92 Ų | 92 | 71.1 Ų | 71.1 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | trans | -91.8 | 105.5 | -179.5 | -170.4 | -19.9 | 0 | 0 | 0 | 111.5 | N139 V140 | N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.24Å; N137-N139 PolarHBondContact OD1-N 3.34Å; N137-V140 HydrophobicContact CB-CG2 4.03Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.39Å | ||
| 138 | L | 95.6 | Very high | 93.2 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.4 | -175.2 | -52.4 | -175 | 0 | 0 | 0 | 114.3 | T134 W135 P334 W358 F365 | T134-L138 HydrophobicContact CG2-CD1 3.71Å; W135-L138 WeakPolarHBondContact O-CD2 3.22Å; L138-P334 HydrophobicContact CD2-CB 3.75Å; L138-W358 HydrophobicContact CD2-CB 4.11Å; L138-W358 WeakPolarHBondContact O-CZ2 3.47Å; L138-F365 HydrophobicContact CB-CZ 3.98Å; L138-F365 HydrophobicContact CD1-CE1 4.17Å; L138-F365 HydrophobicContact CD1-CZ 3.86Å; L138-F365 HydrophobicContact CD2-CE1 4.02Å; L138-F365 HydrophobicContact CD2-CZ 4.29Å; L138-F365 HydrophobicContact CG-CE1 4.46Å; L138-F365 HydrophobicContact CG-CZ 4.25Å |
| 139 | N | 94.3 | Very high | 94.4 | Very high | 138 Ų | 138 | 64.8 Ų | 64.8 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -3.6 | -174.4 | -61.1 | -59.1 | 0 | 0 | 0 | 113.3 | N137 | N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.24Å; N137-N139 PolarHBondContact OD1-N 3.34Å |
| 140 | V | 94.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 62.4 Ų | 62.4 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | trans | -64.9 | 137.9 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | N137 K142 W358 P360 | N137-V140 HydrophobicContact CB-CG2 4.03Å; N137-V140 WeakPolarHBondContact ND2-CG2 3.39Å; V140-K142 HydrophobicContact CG1-CG 4.13Å; V140-W358 PolarHBondContact O-NE1 3.43Å; V140-P360 HydrophobicContact CG1-CB 4.35Å; V140-P360 WeakPolarHBondContact O-CB 3.33Å | ||
| 141 | R | 95.8 | Very high | 96 | Very high | 151 Ų | 151 | 60.4 Ų | 60.4 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | trans | -115.4 | 142.3 | 172.3 | -63.3 | -66.5 | -67.7 | -89 | -5.3 | 109.2 | P360 N363 | R141-P360 WeakPolarHBondContact CA-O 3.37Å; R141-N363 WeakPolarHBondContact CD-OD1 3.5Å; R141-N363 VanDerWaalsContact CZ-OD1 3.27Å; R141-N363 PolarHBondContact NE-OD1 2.86Å; R141-N363 PolarHBondContact NH1-ND2 3.12Å; R141-N363 VanDerWaalsContact NH1-ND2 3.14Å; R141-N363 PolarHBondContact NH1-OD1 2.67Å | ||
| 142 | K | 96.4 | Very high | 96.2 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -131.6 | 165.9 | 174.8 | -67.2 | -160.3 | 175.6 | -170.1 | 0 | 110.5 | V140 P360 E420 N421 Q423 | V140-K142 HydrophobicContact CG1-CG 4.13Å; K142-P360 HydrophobicContact CB-CB 4.16Å; K142-P360 HydrophobicContact CB-CG 4.33Å; K142-P360 HydrophobicContact CD-CG 4.37Å; K142-P360 HydrophobicContact CG-CB 4.05Å; K142-P360 HydrophobicContact CG-CG 4.18Å; K142-P360 PolarHBondContact N-O 3.12Å; K142-P360 VanDerWaalsContact N-O 3.07Å; K142-E420 WeakPolarHBondContact CD-O 3.13Å; K142-N421 WeakPolarHBondContact CE-O 3.37Å; K142-N421 PolarHBondContact NZ-O 3.07Å; K142-Q423 HydrophobicContact CB-CG 4.09Å; K142-Q423 VanDerWaalsContact CB-NE2 3.3Å; K142-Q423 HydrophobicContact CD-CG 3.49Å; K142-Q423 VanDerWaalsContact CD-CG 3.49Å; K142-Q423 HydrophobicContact CG-CG 4.42Å; K142-Q423 PolarHBondContact NZ-O 3.45Å | ||
| 143 | K | 95.1 | Very high | 96.5 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -71.7 | -53.6 | -165.8 | -175.7 | 177 | 175.8 | -165.4 | 0 | 112.6 | D455 | K143-D455 IonicContact NZ-OD1 3.13Å; K143-D455 PolarHBondContact NZ-OD1 2.84Å; K143-D455 IonicContact NZ-OD2 3.81Å |
| 144 | Y | 96.7 | Very high | 96.5 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 8% | 0.078 | 26% | 0.262 | C | S | . | . | trans | -103.7 | 147 | -170.5 | -58.9 | -71.3 | 0 | 0 | 0 | 112.1 | D148 L149 M152 G361 Q423 A452 L454 D455 | Y144-D148 HydrophobicContact CD1-CB 4.3Å; Y144-L149 HydrophobicContact CD2-CD2 4.32Å; Y144-L149 HydrophobicContact CG-CD2 4.46Å; Y144-M152 HydrophobicContact CD1-SD 4.24Å; Y144-M152 HydrophobicContact CD2-CE 4.12Å; Y144-M152 HydrophobicContact CD2-SD 4.15Å; Y144-M152 HydrophobicContact CE1-SD 4.35Å; Y144-M152 HydrophobicContact CE2-CE 3.78Å; Y144-M152 HydrophobicContact CE2-SD 4.26Å; Y144-M152 HydrophobicContact CG-SD 4.12Å; Y144-G361 WeakPolarHBondContact O-CA 3.43Å; Y144-Q423 PolarHBondContact O-NE2 2.91Å; Y144-A452 HydrophobicContact CD1-CB 4.06Å; Y144-A452 HydrophobicContact CE1-CB 3.36Å; Y144-L454 HydrophobicContact CD1-CB 4.44Å; Y144-L454 HydrophobicContact CD1-CD2 4.32Å; Y144-L454 HydrophobicContact CE1-CB 4.42Å; Y144-L454 HydrophobicContact CE1-CD2 4.3Å; Y144-D455 PolarHBondContact OH-OD2 3.04Å | ||
| 145 | S | 96.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | trans | -80.5 | 162.2 | 170.6 | 73.9 | 0 | 0 | 0 | 0 | 111 | V147 D148 L149 | S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 PolarHBondContact OG-N 3.49Å; S145-D148 PolarHBondContact O-N 3.48Å; S145-D148 VanDerWaalsContact O-N 3.08Å; S145-D148 PolarHBondContact OG-OD2 2.86Å; S145-L149 WeakPolarHBondContact O-CD1 3.45Å; S145-L149 VanDerWaalsContact O-CG 3.32Å; S145-L149 WeakPolarHBondContact O-CG 3.26Å; S145-L149 PolarHBondContact O-N 3.36Å; S145-L149 VanDerWaalsContact O-N 3.08Å | ||
| 146 | Q | 96 | Very high | 96.5 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.5 | -29.2 | 174.1 | 62.6 | 87.6 | 5.6 | 0 | 0 | 113.2 | G150 C416 E420 | Q146-G150 PolarHBondContact O-N 2.95Å; Q146-C416 HydrophobicContact CB-CB 3.68Å; Q146-C416 VanDerWaalsContact CD-SG 3.52Å; Q146-C416 HydrophobicContact CG-CB 3.77Å; Q146-C416 PolarHBondContact OE1-SG 2.7Å; Q146-E420 HydrophobicContact CB-CG 3.99Å; Q146-E420 VanDerWaalsContact N-CG 3.3Å; Q146-E420 PolarHBondContact N-OE1 2.81Å |
| 147 | V | 95.7 | Very high | 96.4 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 11% | 0.109 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | -179 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | S145 Y156 R289 | S145-V147 PolarHBondContact O-N 2.95Å; S145-V147 PolarHBondContact OG-N 3.49Å; V147-Y156 VanDerWaalsContact C-OH 3.31Å; V147-Y156 VanDerWaalsContact CA-OH 3.25Å; V147-Y156 WeakPolarHBondContact CA-OH 3.17Å; V147-Y156 PolarHBondContact O-OH 2.9Å; V147-R289 HydrophobicContact CG1-CB 3.78Å; V147-R289 VanDerWaalsContact CG1-NH2 3.33Å; V147-R289 HydrophobicContact CG2-CB 4.09Å |
| 148 | D | 96 | Very high | 96.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -78.7 | -42.9 | -179.8 | -56 | -60.1 | 0 | 0 | 0 | 109.8 | Y144 S145 G150 I151 M152 R289 | Y144-D148 HydrophobicContact CD1-CB 4.3Å; S145-D148 PolarHBondContact O-N 3.48Å; S145-D148 VanDerWaalsContact O-N 3.08Å; S145-D148 PolarHBondContact OG-OD2 2.86Å; D148-G150 PolarHBondContact O-N 3.5Å; D148-I151 WeakPolarHBondContact O-CB 3.34Å; D148-I151 PolarHBondContact O-N 3.07Å; D148-M152 HydrophobicContact CB-SD 4.48Å; D148-M152 VanDerWaalsContact O-CG 3.28Å; D148-M152 WeakPolarHBondContact O-CG 3.36Å; D148-M152 PolarHBondContact O-N 3.44Å; D148-R289 IonicContact OD1-NH2 2.9Å |
| 149 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | -179.2 | -68.8 | 164.8 | 0 | 0 | 0 | 112.5 | Y144 S145 I151 M152 V153 L419 E420 Q423 F448 | Y144-L149 HydrophobicContact CD2-CD2 4.32Å; Y144-L149 HydrophobicContact CG-CD2 4.46Å; S145-L149 WeakPolarHBondContact O-CD1 3.45Å; S145-L149 VanDerWaalsContact O-CG 3.32Å; S145-L149 WeakPolarHBondContact O-CG 3.26Å; S145-L149 PolarHBondContact O-N 3.36Å; S145-L149 VanDerWaalsContact O-N 3.08Å; L149-I151 PolarHBondContact O-N 3Å; L149-M152 HydrophobicContact CD2-SD 4.47Å; L149-M152 PolarHBondContact O-N 3.48Å; L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 3.43Å; L149-L419 HydrophobicContact CB-CB 4.08Å; L149-L419 HydrophobicContact CB-CD1 4.43Å; L149-L419 HydrophobicContact CB-CD2 4.42Å; L149-L419 HydrophobicContact CD1-CB 4.06Å; L149-L419 WeakPolarHBondContact CD1-O 3.23Å; L149-E420 HydrophobicContact CD1-CG 4.1Å; L149-Q423 HydrophobicContact CD1-CB 4.15Å; L149-Q423 HydrophobicContact CD2-CB 3.71Å; L149-F448 HydrophobicContact CD2-CE1 3.81Å; L149-F448 HydrophobicContact CD2-CZ 3.57Å |
| 150 | G | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -28.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q146 D148 G155 | Q146-G150 PolarHBondContact O-N 2.95Å; D148-G150 PolarHBondContact O-N 3.5Å; G150-G155 PolarHBondContact O-N 2.97Å |
| 151 | I | 96.8 | Very high | 96.5 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -77.8 | -42.6 | 173.2 | -66.5 | 166.6 | 0 | 0 | 0 | 110.5 | D148 L149 V153 D154 Y156 K450 P453 | D148-I151 WeakPolarHBondContact O-CB 3.34Å; D148-I151 PolarHBondContact O-N 3.07Å; L149-I151 PolarHBondContact O-N 3Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 2.97Å; I151-D154 WeakPolarHBondContact O-CA 3.35Å; I151-D154 PolarHBondContact O-N 3.42Å; I151-Y156 HydrophobicContact CG1-CE2 3.92Å; I151-K450 HydrophobicContact CG2-CD 4.45Å; I151-K450 WeakPolarHBondContact O-CD 3.12Å; I151-P453 HydrophobicContact CB-CG 4.07Å; I151-P453 HydrophobicContact CD1-CG 3.68Å; I151-P453 HydrophobicContact CG1-CG 4.47Å; I151-P453 HydrophobicContact CG2-CG 3.86Å |
| 152 | M | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -37.6 | -178.5 | -68.3 | 165.9 | 70.9 | 0 | 0 | 112.6 | Y144 D148 L149 D154 F448 V449 K450 A452 | Y144-M152 HydrophobicContact CD1-SD 4.24Å; Y144-M152 HydrophobicContact CD2-CE 4.12Å; Y144-M152 HydrophobicContact CD2-SD 4.15Å; Y144-M152 HydrophobicContact CE1-SD 4.35Å; Y144-M152 HydrophobicContact CE2-CE 3.78Å; Y144-M152 HydrophobicContact CE2-SD 4.26Å; Y144-M152 HydrophobicContact CG-SD 4.12Å; D148-M152 HydrophobicContact CB-SD 4.48Å; D148-M152 VanDerWaalsContact O-CG 3.28Å; D148-M152 WeakPolarHBondContact O-CG 3.36Å; D148-M152 PolarHBondContact O-N 3.44Å; L149-M152 HydrophobicContact CD2-SD 4.47Å; L149-M152 PolarHBondContact O-N 3.48Å; M152-D154 PolarHBondContact O-N 3.23Å; M152-F448 HydrophobicContact CB-CB 4.32Å; M152-F448 HydrophobicContact CB-CD1 3.41Å; M152-F448 VanDerWaalsContact CB-CD1 3.41Å; M152-F448 HydrophobicContact CB-CE1 3.85Å; M152-F448 HydrophobicContact CB-CG 3.93Å; M152-F448 HydrophobicContact CE-CD1 4Å; M152-F448 HydrophobicContact CE-CD2 3.42Å; M152-F448 VanDerWaalsContact CE-CD2 3.42Å; M152-F448 HydrophobicContact CE-CE1 3.97Å; M152-F448 HydrophobicContact CE-CE2 3.39Å; M152-F448 HydrophobicContact CE-CG 3.75Å; M152-F448 HydrophobicContact CE-CZ 3.69Å; M152-F448 CarbonylContact O-C 3.57Å; M152-F448 WeakPolarHBondContact O-CA 3.37Å; M152-F448 HydrophobicContact SD-CE1 4.45Å; M152-F448 HydrophobicContact SD-CZ 4.47Å; M152-V449 PolarHBondContact O-N 2.9Å; M152-K450 PolarHBondContact O-N 2.92Å; M152-A452 HydrophobicContact CE-CB 3.96Å; M152-A452 HydrophobicContact CG-CB 4Å; M152-A452 HydrophobicContact SD-CB 3.48Å; M152-A452 WeakPolarHBondContact SD-CB 3.4Å |
| 153 | V | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.7 | 173.4 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | L149 I151 G155 L176 V428 I446 F448 | L149-V153 WeakPolarHBondContact O-CG2 3.48Å; L149-V153 PolarHBondContact O-N 3.43Å; I151-V153 VanDerWaalsContact C-N 3.33Å; I151-V153 PolarHBondContact O-N 2.97Å; V153-G155 PolarHBondContact O-N 2.84Å; V153-L176 HydrophobicContact CG2-CD1 4.26Å; V153-L176 HydrophobicContact CG2-CD2 4.27Å; V153-L176 HydrophobicContact CG2-CG 4.21Å; V153-V428 HydrophobicContact CG1-CG2 4.13Å; V153-I446 HydrophobicContact CB-CG2 3.78Å; V153-I446 HydrophobicContact CG1-CG2 3.77Å; V153-F448 HydrophobicContact CG1-CD1 3.67Å; V153-F448 HydrophobicContact CG1-CE1 3.83Å |
| 154 | D | 97.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 44.1 | -172.8 | -163.4 | 35.2 | 0 | 0 | 0 | 112.9 | I151 M152 K173 V449 K450 | I151-D154 WeakPolarHBondContact O-CA 3.35Å; I151-D154 PolarHBondContact O-N 3.42Å; M152-D154 PolarHBondContact O-N 3.23Å; D154-K173 WeakPolarHBondContact O-CE 3.45Å; D154-K173 VanDerWaalsContact O-CG 3.31Å; D154-K173 WeakPolarHBondContact O-CG 3.39Å; D154-K173 WeakPolarHBondContact OD1-CE 3.37Å; D154-K173 IonicContact OD1-NZ 3.22Å; D154-K173 PolarHBondContact OD1-NZ 3.17Å; D154-K173 VanDerWaalsContact OD2-CE 3.23Å; D154-K173 WeakPolarHBondContact OD2-CE 3.35Å; D154-K173 IonicContact OD2-NZ 2.94Å; D154-K173 PolarHBondContact OD2-NZ 2.94Å; D154-V449 HydrophobicContact CB-CG2 3.46Å; D154-V449 VanDerWaalsContact CB-CG2 3.46Å; D154-K450 HydrophobicContact CB-CD 4.06Å; D154-K450 HydrophobicContact CB-CG 4.46Å; D154-K450 WeakPolarHBondContact OD1-CE 3.48Å; D154-K450 IonicContact OD1-NZ 2.77Å; D154-K450 PolarHBondContact OD1-NZ 3.05Å |
| 155 | G | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -94.2 | -19.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G150 V153 K173 | G150-G155 PolarHBondContact O-N 2.97Å; V153-G155 PolarHBondContact O-N 2.84Å; G155-K173 PolarHBondContact O-N 2.9Å; G155-K173 VanDerWaalsContact O-O 3.12Å | ||
| 156 | Y | 97.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.6 | 172.7 | 61.6 | -113.8 | 0 | 0 | 0 | 112.8 | V147 I151 C158 Y171 L176 I291 | V147-Y156 VanDerWaalsContact C-OH 3.31Å; V147-Y156 VanDerWaalsContact CA-OH 3.25Å; V147-Y156 WeakPolarHBondContact CA-OH 3.17Å; V147-Y156 PolarHBondContact O-OH 2.9Å; I151-Y156 HydrophobicContact CG1-CE2 3.92Å; Y156-C158 VanDerWaalsContact CD2-SG 3.55Å; Y156-Y171 CarbonylContact C-O 3.58Å; Y156-Y171 WeakPolarHBondContact CA-O 3.07Å; Y156-Y171 WeakPolarHBondContact CB-O 3.33Å; Y156-L176 HydrophobicContact CD1-CD1 4.21Å; Y156-I291 HydrophobicContact CD1-CD1 4.2Å; Y156-I291 HydrophobicContact CD1-CG1 4.34Å; Y156-I291 HydrophobicContact CD1-CG2 3.78Å; Y156-I291 HydrophobicContact CE1-CG1 4.37Å; Y156-I291 HydrophobicContact CE1-CG2 4.19Å; Y156-I291 HydrophobicContact CG-CG2 3.98Å |
| 157 | D | 96.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 100.8 | 172.3 | -166.7 | -32.4 | 0 | 0 | 0 | 110.8 | E159 K160 G161 Y171 | D157-E159 PolarHBondContact OD1-N 2.86Å; D157-K160 HydrophobicContact CB-CB 4.32Å; D157-K160 VanDerWaalsContact CG-CG 3.45Å; D157-K160 WeakPolarHBondContact OD1-CG 3.48Å; D157-K160 PolarHBondContact OD1-N 3.42Å; D157-K160 WeakPolarHBondContact OD2-CG 3.37Å; D157-G161 PolarHBondContact O-N 2.86Å; D157-Y171 PolarHBondContact N-O 3.43Å; D157-Y171 PolarHBondContact O-N 2.92Å |
| 158 | C | 94.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 48 Ų | 48 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -79.9 | -23.5 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | Y156 A162 | Y156-C158 VanDerWaalsContact CD2-SG 3.55Å; C158-A162 VanDerWaalsContact O-CB 3.23Å; C158-A162 WeakPolarHBondContact O-CB 3.18Å; C158-A162 PolarHBondContact O-N 3.48Å |
| 159 | E | 93.9 | Very high | 96.1 | Very high | 166 Ų | 166 | 48.1 Ų | 48.1 | 78% | 0.776 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.6 | -46.9 | 179.8 | -67.7 | -174.7 | 176.4 | 0 | 0 | 110.4 | D157 G161 A162 L163 | D157-E159 PolarHBondContact OD1-N 2.86Å; E159-G161 VanDerWaalsContact C-N 3.32Å; E159-A162 PolarHBondContact O-N 3.34Å; E159-L163 PolarHBondContact O-N 3.3Å; E159-L163 VanDerWaalsContact O-N 3.09Å |
| 160 | K | 96.4 | Very high | 96.1 | Very high | 120 Ų | 120 | 50 Ų | 50 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 172.5 | -63.5 | -64.2 | -178.6 | -177.4 | 0 | 111.8 | D157 L163 V164 Y171 | D157-K160 HydrophobicContact CB-CB 4.32Å; D157-K160 VanDerWaalsContact CG-CG 3.45Å; D157-K160 WeakPolarHBondContact OD1-CG 3.48Å; D157-K160 PolarHBondContact OD1-N 3.42Å; D157-K160 WeakPolarHBondContact OD2-CG 3.37Å; K160-L163 PolarHBondContact O-N 2.94Å; K160-V164 WeakPolarHBondContact O-CG2 3.39Å; K160-V164 PolarHBondContact O-N 3.19Å; K160-Y171 HydrophobicContact CB-CD2 4.14Å; K160-Y171 HydrophobicContact CB-CE2 4.45Å |
| 161 | G | 96.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D157 E159 L163 V164 A165 G169 | D157-G161 PolarHBondContact O-N 2.86Å; E159-G161 VanDerWaalsContact C-N 3.32Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 3.5Å; G161-V164 PolarHBondContact O-N 2.9Å; G161-V164 VanDerWaalsContact O-N 3.16Å; G161-A165 PolarHBondContact O-N 2.73Å; G161-G169 CarbonylContact C-O 3.56Å; G161-G169 WeakPolarHBondContact CA-O 3.22Å |
| 162 | A | 95.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | C158 E159 V164 G166 G169 | C158-A162 VanDerWaalsContact O-CB 3.23Å; C158-A162 WeakPolarHBondContact O-CB 3.18Å; C158-A162 PolarHBondContact O-N 3.48Å; E159-A162 PolarHBondContact O-N 3.34Å; A162-V164 VanDerWaalsContact C-N 3.31Å; A162-V164 PolarHBondContact O-N 3.4Å; A162-G166 VanDerWaalsContact CA-O 3.29Å; A162-G166 WeakPolarHBondContact CA-O 3.31Å; A162-G166 CarbonylContact O-C 3.49Å; A162-G166 VanDerWaalsContact O-CA 3.27Å; A162-G166 WeakPolarHBondContact O-CA 3.24Å; A162-G166 PolarHBondContact O-N 3.48Å; A162-G166 VanDerWaalsContact O-N 3.1Å; A162-G169 PolarHBondContact N-O 3.18Å |
| 163 | L | 97.2 | Very high | 96.3 | Very high | 138 Ų | 138 | 57.8 Ų | 57.8 | 72% | 0.723 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 174.9 | -179.5 | 66.2 | 0 | 0 | 0 | 112.6 | E159 K160 G161 | E159-L163 PolarHBondContact O-N 3.3Å; E159-L163 VanDerWaalsContact O-N 3.09Å; K160-L163 PolarHBondContact O-N 2.94Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 3.5Å |
| 164 | V | 97.8 | Very high | 96.2 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 61% | 0.606 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -92.5 | -45.6 | -172.9 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | K160 G161 A162 Y171 | K160-V164 WeakPolarHBondContact O-CG2 3.39Å; K160-V164 PolarHBondContact O-N 3.19Å; G161-V164 PolarHBondContact O-N 2.9Å; G161-V164 VanDerWaalsContact O-N 3.16Å; A162-V164 VanDerWaalsContact C-N 3.31Å; A162-V164 PolarHBondContact O-N 3.4Å; V164-Y171 HydrophobicContact CB-CE2 4.34Å; V164-Y171 HydrophobicContact CG2-CE2 4.1Å |
| 165 | A | 96.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 58 Ų | 58 | 66% | 0.661 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -108.7 | -1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G161 | G161-A165 PolarHBondContact O-N 2.73Å |
| 166 | G | 94.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 58 Ų | 58 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | trans | 83.4 | -176.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A162 G169 | A162-G166 VanDerWaalsContact CA-O 3.29Å; A162-G166 WeakPolarHBondContact CA-O 3.31Å; A162-G166 CarbonylContact O-C 3.49Å; A162-G166 VanDerWaalsContact O-CA 3.27Å; A162-G166 WeakPolarHBondContact O-CA 3.24Å; A162-G166 PolarHBondContact O-N 3.48Å; A162-G166 VanDerWaalsContact O-N 3.1Å; G166-G169 PolarHBondContact O-N 2.91Å | ||
| 167 | A | 92.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 60 Ų | 60 | 65% | 0.653 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 142.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G169 H295 | A167-G169 PolarHBondContact O-N 3.45Å; A167-G169 VanDerWaalsContact O-N 3.17Å; A167-H295 PolarHBondContact O-CD2 3.07Å; A167-H295 PolarHBondContact O-NE2 3.27Å |
| 168 | R | 92.4 | Very high | 96.5 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 17% | 0.166 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 8 | -173.7 | -58 | 175.1 | 171 | 158.5 | -5.5 | 115.6 | S283 R286 | R168-S283 PolarHBondContact NH1-OG 3.17Å; R168-S283 PolarHBondContact NH2-O 2.99Å; R168-S283 PolarHBondContact NH2-OG 3.25Å; R168-R286 PolarHBondContact NH2-O 3.13Å |
| 169 | G | 95.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 60.3 Ų | 60.3 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | trans | -65.6 | 143.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G161 A162 G166 A167 | G161-G169 CarbonylContact C-O 3.56Å; G161-G169 WeakPolarHBondContact CA-O 3.22Å; A162-G169 PolarHBondContact N-O 3.18Å; G166-G169 PolarHBondContact O-N 2.91Å; A167-G169 PolarHBondContact O-N 3.45Å; A167-G169 VanDerWaalsContact O-N 3.17Å | ||
| 170 | Y | 97.8 | Very high | 96.9 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | trans | -144.8 | 152.2 | 178 | 69.5 | -78.5 | 0 | 0 | 0 | 110.8 | L172 I291 V294 Q296 | Y170-L172 HydrophobicContact CD2-CB 4.34Å; Y170-L172 HydrophobicContact CE2-CB 4.09Å; Y170-I291 HydrophobicContact CD2-CG2 3.75Å; Y170-I291 HydrophobicContact CE2-CG2 4.27Å; Y170-I291 HydrophobicContact CG-CG2 3.91Å; Y170-V294 HydrophobicContact CD1-CB 4.01Å; Y170-V294 HydrophobicContact CD1-CG1 3.69Å; Y170-V294 HydrophobicContact CE1-CB 3.76Å; Y170-V294 HydrophobicContact CE1-CG1 3.86Å; Y170-V294 HydrophobicContact CE1-CG2 3.83Å; Y170-Q296 WeakPolarHBondContact CE1-O 3.4Å; Y170-Q296 PolarHBondContact OH-O 3.16Å; Y170-Q296 VanDerWaalsContact OH-O 3.04Å | ||
| 171 | Y | 98.3 | Very high | 97 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 48% | 0.475 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.4 | 158.7 | -79.8 | -92.1 | 0 | 0 | 0 | 108.5 | Y156 D157 K160 V164 | Y156-Y171 CarbonylContact C-O 3.58Å; Y156-Y171 WeakPolarHBondContact CA-O 3.07Å; Y156-Y171 WeakPolarHBondContact CB-O 3.33Å; D157-Y171 PolarHBondContact N-O 3.43Å; D157-Y171 PolarHBondContact O-N 2.92Å; K160-Y171 HydrophobicContact CB-CD2 4.14Å; K160-Y171 HydrophobicContact CB-CE2 4.45Å; V164-Y171 HydrophobicContact CB-CE2 4.34Å; V164-Y171 HydrophobicContact CG2-CE2 4.1Å |
| 172 | L | 98.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.6 | 165.4 | -158.8 | 70.2 | 0 | 0 | 0 | 108.6 | Y170 L176 V177 E180 I291 I415 | Y170-L172 HydrophobicContact CD2-CB 4.34Å; Y170-L172 HydrophobicContact CE2-CB 4.09Å; L172-L176 HydrophobicContact CD1-CB 3.73Å; L172-L176 HydrophobicContact CD1-CD1 4.27Å; L172-L176 HydrophobicContact CD2-CB 4.5Å; L172-L176 HydrophobicContact CG-CB 4.04Å; L172-V177 HydrophobicContact CB-CG2 4.1Å; L172-V177 HydrophobicContact CD2-CG2 4.2Å; L172-V177 HydrophobicContact CG-CG2 4Å; L172-V177 WeakPolarHBondContact O-CG2 3.2Å; L172-E180 HydrophobicContact CD2-CB 4.04Å; L172-I291 HydrophobicContact CD1-CD1 4Å; L172-I415 HydrophobicContact CD2-CD1 4.48Å |
| 173 | K | 97.9 | Very high | 97.3 | Very high | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | trans | -149.3 | 164.3 | -176.8 | 68.1 | 178.7 | -161.9 | 166.2 | 0 | 113.9 | D154 G155 L176 | D154-K173 WeakPolarHBondContact O-CE 3.45Å; D154-K173 VanDerWaalsContact O-CG 3.31Å; D154-K173 WeakPolarHBondContact O-CG 3.39Å; D154-K173 WeakPolarHBondContact OD1-CE 3.37Å; D154-K173 IonicContact OD1-NZ 3.22Å; D154-K173 PolarHBondContact OD1-NZ 3.17Å; D154-K173 VanDerWaalsContact OD2-CE 3.23Å; D154-K173 WeakPolarHBondContact OD2-CE 3.35Å; D154-K173 IonicContact OD2-NZ 2.94Å; D154-K173 PolarHBondContact OD2-NZ 2.94Å; G155-K173 PolarHBondContact O-N 2.9Å; G155-K173 VanDerWaalsContact O-O 3.12Å; K173-L176 PolarHBondContact O-N 2.92Å | ||
| 174 | G | 97.1 | Very high | 97.3 | Very high | 40 Ų | 40 | 44 Ų | 44 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | -126.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L176 V177 F178 | G174-L176 VanDerWaalsContact C-N 3.27Å; G174-L176 PolarHBondContact O-N 2.82Å; G174-V177 PolarHBondContact O-N 3.39Å; G174-F178 WeakPolarHBondContact O-CD2 3.46Å |
| 175 | P | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -30.8 | -172.2 | 25.6 | -34.7 | 0 | 0 | 0 | 113.6 | F178 L179 F442 I446 | P175-F178 PolarHBondContact O-N 3.3Å; P175-L179 PolarHBondContact O-N 3.07Å; P175-F442 HydrophobicContact CB-CD1 4.16Å; P175-F442 HydrophobicContact CB-CD2 3.98Å; P175-F442 HydrophobicContact CB-CE1 4.19Å; P175-F442 HydrophobicContact CB-CE2 4.02Å; P175-F442 HydrophobicContact CB-CG 4.07Å; P175-F442 HydrophobicContact CB-CZ 4.13Å; P175-I446 HydrophobicContact CB-CB 4.47Å; P175-I446 HydrophobicContact CB-CD1 4.13Å; P175-I446 HydrophobicContact CB-CG1 4.08Å; P175-I446 HydrophobicContact CB-CG2 3.57Å; P175-I446 HydrophobicContact CG-CG2 3.66Å |
| 176 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -76.1 | -23.5 | -178 | -61.1 | -169.7 | 0 | 0 | 0 | 113.4 | V153 Y156 L172 K173 G174 L179 E180 I415 L419 | V153-L176 HydrophobicContact CG2-CD1 4.26Å; V153-L176 HydrophobicContact CG2-CD2 4.27Å; V153-L176 HydrophobicContact CG2-CG 4.21Å; Y156-L176 HydrophobicContact CD1-CD1 4.21Å; L172-L176 HydrophobicContact CD1-CB 3.73Å; L172-L176 HydrophobicContact CD1-CD1 4.27Å; L172-L176 HydrophobicContact CD2-CB 4.5Å; L172-L176 HydrophobicContact CG-CB 4.04Å; K173-L176 PolarHBondContact O-N 2.92Å; G174-L176 VanDerWaalsContact C-N 3.27Å; G174-L176 PolarHBondContact O-N 2.82Å; L176-L179 HydrophobicContact CD2-CD2 4.02Å; L176-L179 PolarHBondContact O-N 3.1Å; L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3Å; L176-I415 HydrophobicContact CD1-CG2 4.15Å; L176-I415 HydrophobicContact CD2-CG2 4.01Å; L176-L419 HydrophobicContact CD1-CD1 4.37Å; L176-L419 HydrophobicContact CD2-CD2 4.16Å |
| 177 | V | 98.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 38 Ų | 38 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 170 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | L172 G174 L179 E180 Q181 | L172-V177 HydrophobicContact CB-CG2 4.1Å; L172-V177 HydrophobicContact CD2-CG2 4.2Å; L172-V177 HydrophobicContact CG-CG2 4Å; L172-V177 WeakPolarHBondContact O-CG2 3.2Å; G174-V177 PolarHBondContact O-N 3.39Å; V177-L179 VanDerWaalsContact C-N 3.35Å; V177-E180 WeakPolarHBondContact O-CB 3.19Å; V177-E180 PolarHBondContact O-N 3.05Å; V177-Q181 WeakPolarHBondContact O-CG 3.15Å; V177-Q181 PolarHBondContact O-N 2.97Å |
| 178 | F | 98.6 | Very high | 98 | Very high | 89 Ų | 89 | 35.5 Ų | 35.5 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 175.4 | -68.3 | -68.3 | 0 | 0 | 0 | 111.9 | G174 P175 E180 Q181 A182 M438 P439 F442 | G174-F178 WeakPolarHBondContact O-CD2 3.46Å; P175-F178 PolarHBondContact O-N 3.3Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.26Å; F178-Q181 PolarHBondContact O-N 3.47Å; F178-A182 WeakPolarHBondContact O-CB 3.37Å; F178-A182 PolarHBondContact O-N 3.32Å; F178-M438 VanDerWaalsContact C-SD 3.58Å; F178-M438 HydrophobicContact CB-CE 4.01Å; F178-M438 HydrophobicContact CB-SD 3.98Å; F178-P439 HydrophobicContact CB-CG 4.25Å; F178-P439 HydrophobicContact CD1-CG 3.97Å; F178-P439 HydrophobicContact CD2-CG 3.79Å; F178-P439 HydrophobicContact CE1-CG 4.23Å; F178-P439 HydrophobicContact CE2-CG 4.05Å; F178-P439 HydrophobicContact CG-CG 3.74Å; F178-P439 HydrophobicContact CZ-CG 4.26Å; F178-F442 HydrophobicContact CD2-CD2 4.21Å; F178-F442 HydrophobicContact CD2-CE2 4.37Å |
| 179 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 176 | -169.6 | 65.8 | 0 | 0 | 0 | 112.1 | P175 L176 V177 A182 L183 I415 I418 L434 M438 | P175-L179 PolarHBondContact O-N 3.07Å; L176-L179 HydrophobicContact CD2-CD2 4.02Å; L176-L179 PolarHBondContact O-N 3.1Å; V177-L179 VanDerWaalsContact C-N 3.35Å; L179-A182 PolarHBondContact O-N 3.01Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.95Å; L179-I415 HydrophobicContact CD2-CG1 4.15Å; L179-I415 HydrophobicContact CD2-CG2 4.26Å; L179-I415 HydrophobicContact CG-CG1 4.36Å; L179-I418 HydrophobicContact CD2-CG2 4.26Å; L179-L434 HydrophobicContact CD1-CD1 3.67Å; L179-M438 HydrophobicContact CB-CE 4.3Å; L179-M438 HydrophobicContact CB-SD 4.34Å; L179-M438 HydrophobicContact CD1-CE 4.46Å; L179-M438 HydrophobicContact CD1-SD 4.23Å |
| 180 | E | 98.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 38.3 Ų | 38.3 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 172.8 | -179.8 | 168 | 94.5 | 0 | 0 | 111.8 | L172 L176 V177 F178 A182 L183 I184 T411 I415 | L172-E180 HydrophobicContact CD2-CB 4.04Å; L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 PolarHBondContact O-N 3Å; V177-E180 WeakPolarHBondContact O-CB 3.19Å; V177-E180 PolarHBondContact O-N 3.05Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.26Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.29Å; E180-L183 WeakPolarHBondContact O-CB 3.23Å; E180-L183 PolarHBondContact O-N 2.89Å; E180-I184 HydrophobicContact CG-CD1 4.05Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 2.86Å; E180-T411 HydrophobicContact CG-CG2 3.97Å; E180-T411 PolarHBondContact OE2-OG1 3.2Å; E180-T411 VanDerWaalsContact OE2-OG1 3.13Å; E180-I415 HydrophobicContact CB-CD1 3.91Å |
| 181 | Q | 98.7 | Very high | 98.5 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -38.7 | 178 | -66.5 | -61.1 | -49.9 | 0 | 0 | 111.6 | V177 F178 I184 Q185 | V177-Q181 WeakPolarHBondContact O-CG 3.15Å; V177-Q181 PolarHBondContact O-N 2.97Å; F178-Q181 PolarHBondContact O-N 3.47Å; Q181-I184 PolarHBondContact O-N 3.44Å; Q181-Q185 VanDerWaalsContact O-CG 3.27Å; Q181-Q185 WeakPolarHBondContact O-CG 3.49Å; Q181-Q185 PolarHBondContact O-N 3.2Å |
| 182 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F178 L179 E180 Q185 L186 L434 F437 M438 | F178-A182 WeakPolarHBondContact O-CB 3.37Å; F178-A182 PolarHBondContact O-N 3.32Å; L179-A182 PolarHBondContact O-N 3.01Å; E180-A182 VanDerWaalsContact C-N 3.31Å; E180-A182 PolarHBondContact O-N 3.29Å; A182-Q185 PolarHBondContact O-N 3.33Å; A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 3.11Å; A182-L434 HydrophobicContact CB-CB 4.29Å; A182-L434 HydrophobicContact CB-CD2 4.09Å; A182-F437 HydrophobicContact CB-CB 3.59Å; A182-F437 HydrophobicContact CB-CD2 4.5Å; A182-F437 HydrophobicContact CB-CG 4.46Å; A182-M438 HydrophobicContact CB-CG 4.45Å; A182-M438 HydrophobicContact CB-SD 3.91Å |
| 183 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.3 | -76.2 | 167.2 | 0 | 0 | 0 | 112.2 | L179 E180 Q185 L186 A187 F327 L331 V414 I415 I418 L434 | L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.95Å; E180-L183 WeakPolarHBondContact O-CB 3.23Å; E180-L183 PolarHBondContact O-N 2.89Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 2.87Å; L183-L186 PolarHBondContact O-N 2.8Å; L183-A187 WeakPolarHBondContact O-CB 3.43Å; L183-A187 PolarHBondContact O-N 3.31Å; L183-F327 HydrophobicContact CD2-CZ 4.16Å; L183-L331 HydrophobicContact CD2-CD1 3.9Å; L183-L331 HydrophobicContact CD2-CD2 4.24Å; L183-V414 HydrophobicContact CD1-CB 4.19Å; L183-V414 HydrophobicContact CD1-CG1 4.04Å; L183-V414 HydrophobicContact CD2-CG1 3.65Å; L183-I415 HydrophobicContact CD1-CD1 4.48Å; L183-I415 HydrophobicContact CD1-CG1 3.64Å; L183-I418 HydrophobicContact CD1-CD1 4.23Å; L183-I418 HydrophobicContact CD2-CD1 3.92Å; L183-I418 HydrophobicContact CG-CD1 4.42Å; L183-L434 HydrophobicContact CD2-CD1 3.88Å; L183-L434 HydrophobicContact CD2-CD2 4.04Å; L183-L434 HydrophobicContact CG-CD1 4.18Å; L183-L434 HydrophobicContact CG-CD2 4.35Å |
| 184 | I | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 175.5 | -72.1 | 167.7 | 0 | 0 | 0 | 109.9 | E180 Q181 A187 L188 I273 E298 I300 T411 | E180-I184 HydrophobicContact CG-CD1 4.05Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 2.86Å; Q181-I184 PolarHBondContact O-N 3.44Å; I184-A187 PolarHBondContact O-N 3.39Å; I184-L188 HydrophobicContact CG2-CD1 3.95Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 WeakPolarHBondContact O-CG 3.25Å; I184-L188 PolarHBondContact O-N 3.32Å; I184-I273 HydrophobicContact CG2-CD1 3.72Å; I184-E298 HydrophobicContact CD1-CB 4.35Å; I184-E298 HydrophobicContact CD1-CG 4.44Å; I184-I300 HydrophobicContact CG2-CD1 4.2Å; I184-T411 HydrophobicContact CD1-CG2 4.23Å; I184-T411 HydrophobicContact CG1-CG2 3.76Å |
| 185 | Q | 98.7 | Very high | 98.5 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65 | -44.8 | -179.3 | -67.7 | -70.4 | 53.8 | 0 | 0 | 112 | Q181 A182 L183 A187 L188 H189 F437 | Q181-Q185 VanDerWaalsContact O-CG 3.27Å; Q181-Q185 WeakPolarHBondContact O-CG 3.49Å; Q181-Q185 PolarHBondContact O-N 3.2Å; A182-Q185 PolarHBondContact O-N 3.33Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 2.87Å; Q185-A187 PolarHBondContact O-N 2.66Å; Q185-L188 PolarHBondContact O-N 2.88Å; Q185-H189 WeakPolarHBondContact O-CB 3.1Å; Q185-H189 PolarHBondContact O-N 3.17Å; Q185-H189 PolarHBondContact O-ND1 3.19Å; Q185-F437 HydrophobicContact CB-CD1 3.81Å; Q185-F437 HydrophobicContact CB-CE1 3.77Å; Q185-F437 HydrophobicContact CB-CG 4.2Å; Q185-F437 HydrophobicContact CB-CZ 4.11Å; Q185-F437 HydrophobicContact CG-CD1 4.44Å |
| 186 | L | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 177.2 | -178.3 | 64.6 | 0 | 0 | 0 | 111.2 | A182 L183 L188 H189 T190 F327 L331 A433 L434 F437 | A182-L186 WeakPolarHBondContact O-CB 3.39Å; A182-L186 PolarHBondContact O-N 3.11Å; L183-L186 PolarHBondContact O-N 2.8Å; L186-L188 PolarHBondContact O-N 3.48Å; L186-H189 PolarHBondContact O-N 2.9Å; L186-T190 WeakPolarHBondContact O-CB 3.28Å; L186-T190 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-OG1 3Å; L186-F327 HydrophobicContact CB-CE2 4.18Å; L186-F327 HydrophobicContact CD2-CD2 4.33Å; L186-F327 HydrophobicContact CD2-CE2 3.8Å; L186-F327 HydrophobicContact CG-CD2 4.3Å; L186-F327 HydrophobicContact CG-CE2 3.8Å; L186-L331 HydrophobicContact CD2-CD2 3.73Å; L186-L331 HydrophobicContact CD2-CG 4.35Å; L186-A433 HydrophobicContact CD1-CB 4.42Å; L186-A433 HydrophobicContact CD2-CB 3.93Å; L186-L434 HydrophobicContact CB-CD2 3.89Å; L186-L434 HydrophobicContact CD2-CD2 3.59Å; L186-L434 HydrophobicContact CD2-CG 4.37Å; L186-L434 HydrophobicContact CG-CD2 4.36Å; L186-F437 HydrophobicContact CB-CE2 3.94Å; L186-F437 HydrophobicContact CD1-CE2 4.19Å |
| 187 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L183 I184 Q185 T190 L191 I300 F327 M408 C409 | L183-A187 WeakPolarHBondContact O-CB 3.43Å; L183-A187 PolarHBondContact O-N 3.31Å; I184-A187 PolarHBondContact O-N 3.39Å; Q185-A187 PolarHBondContact O-N 2.66Å; A187-T190 PolarHBondContact O-N 3.25Å; A187-L191 WeakPolarHBondContact O-CG 3.38Å; A187-L191 PolarHBondContact O-N 3.38Å; A187-I300 HydrophobicContact CB-CB 4.03Å; A187-I300 HydrophobicContact CB-CG1 3.89Å; A187-I300 HydrophobicContact CB-CG2 4.03Å; A187-F327 HydrophobicContact CB-CD2 4.44Å; A187-F327 HydrophobicContact CB-CE2 3.75Å; A187-F327 HydrophobicContact CB-CZ 4.06Å; A187-M408 HydrophobicContact CB-CG 4.02Å; A187-C409 HydrophobicContact CB-CB 4.01Å |
| 188 | L | 98.7 | Very high | 98.6 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177 | -73.9 | 176.4 | 0 | 0 | 0 | 112.4 | I184 Q185 L186 T190 L191 H192 A198 A271 I273 I300 | I184-L188 HydrophobicContact CG2-CD1 3.95Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 WeakPolarHBondContact O-CG 3.25Å; I184-L188 PolarHBondContact O-N 3.32Å; Q185-L188 PolarHBondContact O-N 2.88Å; L186-L188 PolarHBondContact O-N 3.48Å; L188-T190 PolarHBondContact O-N 3.22Å; L188-L191 PolarHBondContact O-N 3.1Å; L188-H192 VanDerWaalsContact O-CB 3.24Å; L188-H192 WeakPolarHBondContact O-CB 3.41Å; L188-H192 PolarHBondContact O-N 2.97Å; L188-A198 HydrophobicContact CD2-CB 4.34Å; L188-A271 HydrophobicContact CD2-CB 4.32Å; L188-I273 HydrophobicContact CD1-CD1 4.13Å; L188-I300 HydrophobicContact CD2-CD1 4.2Å; L188-I300 HydrophobicContact CD2-CG2 4.23Å; L188-I300 HydrophobicContact CG-CD1 4.17Å |
| 189 | H | 98.2 | Very high | 98.6 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 178.3 | -75.6 | 80.9 | 0 | 0 | 0 | 111.7 | Q185 L186 H192 G193 | Q185-H189 WeakPolarHBondContact O-CB 3.1Å; Q185-H189 PolarHBondContact O-N 3.17Å; Q185-H189 PolarHBondContact O-ND1 3.19Å; L186-H189 PolarHBondContact O-N 2.9Å; H189-H192 PolarHBondContact O-N 3.41Å; H189-G193 PolarHBondContact O-N 2.82Å |
| 190 | T | 98.2 | Very high | 98.6 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.2 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | L186 A187 L188 G193 K194 M408 | L186-T190 WeakPolarHBondContact O-CB 3.28Å; L186-T190 PolarHBondContact O-N 3.1Å; L186-T190 PolarHBondContact O-OG1 3Å; A187-T190 PolarHBondContact O-N 3.25Å; L188-T190 PolarHBondContact O-N 3.22Å; T190-G193 PolarHBondContact O-N 2.74Å; T190-K194 WeakPolarHBondContact O-CG 3.29Å; T190-K194 PolarHBondContact O-N 2.87Å; T190-M408 HydrophobicContact CG2-CE 3.52Å |
| 191 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 177.9 | -67.6 | 179.9 | 0 | 0 | 0 | 112.2 | A187 L188 G193 K194 G195 Y196 A271 I300 Q302 N323 M408 | A187-L191 WeakPolarHBondContact O-CG 3.38Å; A187-L191 PolarHBondContact O-N 3.38Å; L188-L191 PolarHBondContact O-N 3.1Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.67Å; L191-K194 CarbonylContact O-C 3.58Å; L191-K194 WeakPolarHBondContact O-CA 3.25Å; L191-K194 PolarHBondContact O-N 3.36Å; L191-G195 PolarHBondContact O-N 3Å; L191-Y196 HydrophobicContact CB-CD2 4.25Å; L191-Y196 HydrophobicContact CB-CG 4.02Å; L191-Y196 HydrophobicContact CD2-CD1 4.47Å; L191-Y196 HydrophobicContact CD2-CD2 4.15Å; L191-Y196 HydrophobicContact CD2-CE2 4.19Å; L191-Y196 HydrophobicContact CD2-CG 4.32Å; L191-Y196 WeakPolarHBondContact O-CB 3.27Å; L191-Y196 WeakPolarHBondContact O-CD2 3.17Å; L191-Y196 PolarHBondContact O-N 3.46Å; L191-Y196 VanDerWaalsContact O-N 3.09Å; L191-A271 HydrophobicContact CB-CB 3.94Å; L191-A271 HydrophobicContact CD1-CB 3.61Å; L191-A271 HydrophobicContact CG-CB 4.45Å; L191-I300 HydrophobicContact CD1-CG2 3.88Å; L191-Q302 HydrophobicContact CD1-CG 3.9Å; L191-Q302 HydrophobicContact CD2-CG 3.7Å; L191-Q302 HydrophobicContact CG-CG 4.48Å; L191-N323 HydrophobicContact CD2-CB 4.49Å; L191-M408 HydrophobicContact CD1-CB 4.01Å; L191-M408 HydrophobicContact CD1-CG 3.93Å; L191-M408 HydrophobicContact CD2-CE 3.95Å; L191-M408 HydrophobicContact CD2-CG 4.34Å; L191-M408 HydrophobicContact CD2-SD 3.97Å; L191-M408 HydrophobicContact CG-CE 4.08Å; L191-M408 HydrophobicContact CG-CG 4.1Å; L191-M408 HydrophobicContact CG-SD 4.31Å |
| 192 | H | 98.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 47.1 Ų | 47.1 | 62% | 0.616 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.9 | -44.2 | 175.8 | -179.9 | 64.7 | 0 | 0 | 0 | 111.8 | L188 H189 K194 G195 | L188-H192 VanDerWaalsContact O-CB 3.24Å; L188-H192 WeakPolarHBondContact O-CB 3.41Å; L188-H192 PolarHBondContact O-N 2.97Å; H189-H192 PolarHBondContact O-N 3.41Å; H192-K194 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact O-N 3.1Å; H192-G195 PolarHBondContact O-N 3.29Å |
| 193 | G | 98.1 | Very high | 98.5 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 72% | 0.722 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.9 | -17.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H189 T190 L191 | H189-G193 PolarHBondContact O-N 2.82Å; T190-G193 PolarHBondContact O-N 2.74Å; L191-G193 VanDerWaalsContact C-N 3.33Å; L191-G193 PolarHBondContact O-N 2.67Å |
| 194 | K | 98.2 | Very high | 98.4 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 12.6 | 176.8 | -66.3 | 166.9 | 173.5 | -80.3 | 0 | 113 | T190 L191 H192 Y196 N323 E326 | T190-K194 WeakPolarHBondContact O-CG 3.29Å; T190-K194 PolarHBondContact O-N 2.87Å; L191-K194 CarbonylContact O-C 3.58Å; L191-K194 WeakPolarHBondContact O-CA 3.25Å; L191-K194 PolarHBondContact O-N 3.36Å; H192-K194 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact O-N 3.1Å; K194-Y196 HydrophobicContact CB-CD2 4.04Å; K194-Y196 HydrophobicContact CB-CE2 4.22Å; K194-N323 HydrophobicContact CD-CB 4.33Å; K194-N323 VanDerWaalsContact CD-OD1 3.24Å; K194-N323 WeakPolarHBondContact CD-OD1 3.36Å; K194-N323 VanDerWaalsContact CE-OD1 3.29Å; K194-N323 WeakPolarHBondContact CE-OD1 3.44Å; K194-N323 PolarHBondContact NZ-OD1 3.41Å; K194-E326 WeakPolarHBondContact CE-OE2 3.16Å; K194-E326 IonicContact NZ-OE2 2.95Å; K194-E326 PolarHBondContact NZ-OE2 3.19Å |
| 195 | G | 98.1 | Very high | 98.4 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | L191 H192 | L191-G195 PolarHBondContact O-N 3Å; H192-G195 PolarHBondContact O-N 3.29Å |
| 196 | Y | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 138.3 | 171.2 | -72 | -112 | 0 | 0 | 0 | 110.7 | L191 K194 R269 Y270 Q302 N323 | L191-Y196 HydrophobicContact CB-CD2 4.25Å; L191-Y196 HydrophobicContact CB-CG 4.02Å; L191-Y196 HydrophobicContact CD2-CD1 4.47Å; L191-Y196 HydrophobicContact CD2-CD2 4.15Å; L191-Y196 HydrophobicContact CD2-CE2 4.19Å; L191-Y196 HydrophobicContact CD2-CG 4.32Å; L191-Y196 WeakPolarHBondContact O-CB 3.27Å; L191-Y196 WeakPolarHBondContact O-CD2 3.17Å; L191-Y196 PolarHBondContact O-N 3.46Å; L191-Y196 VanDerWaalsContact O-N 3.09Å; K194-Y196 HydrophobicContact CB-CD2 4.04Å; K194-Y196 HydrophobicContact CB-CE2 4.22Å; Y196-R269 HydrophobicContact CD1-CB 3.69Å; Y196-R269 HydrophobicContact CD2-CB 4.19Å; Y196-R269 HydrophobicContact CE1-CB 3.89Å; Y196-R269 HydrophobicContact CE1-CG 4.41Å; Y196-R269 HydrophobicContact CE2-CB 4.38Å; Y196-R269 HydrophobicContact CG-CB 3.83Å; Y196-Y270 WeakPolarHBondContact CD1-O 3.36Å; Y196-Q302 HydrophobicContact CE1-CB 3.89Å; Y196-Q302 HydrophobicContact CE1-CG 4.09Å; Y196-Q302 PolarHBondContact OH-OE1 2.87Å; Y196-N323 PolarHBondContact OH-ND2 3.21Å |
| 197 | T | 98.7 | Very high | 98.1 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.6 | 170.9 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | I199 R269 Y270 A271 | T197-I199 PolarHBondContact O-N 3.37Å; T197-R269 PolarHBondContact N-O 3.28Å; T197-Y270 HydrophobicContact CG2-CD1 4.37Å; T197-Y270 HydrophobicContact CG2-CE1 4.36Å; T197-Y270 CarbonylContact O-C 3.52Å; T197-Y270 WeakPolarHBondContact O-CA 3.49Å; T197-A271 PolarHBondContact O-N 3.17Å |
| 198 | A | 98.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 130.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L188 A271 | L188-A198 HydrophobicContact CD2-CB 4.34Å; A198-A271 WeakPolarHBondContact CA-O 3.4Å |
| 199 | I | 98.7 | Very high | 97.8 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 123.9 | -179.3 | -169.2 | 170 | 0 | 0 | 0 | 110.6 | T197 I252 F255 Y270 A271 G272 I273 | T197-I199 PolarHBondContact O-N 3.37Å; I199-I252 HydrophobicContact CG2-CD1 3.71Å; I199-I252 HydrophobicContact CG2-CG1 4.01Å; I199-F255 HydrophobicContact CD1-CD1 4.46Å; I199-F255 HydrophobicContact CD1-CE1 4.4Å; I199-F255 HydrophobicContact CD1-CZ 4.44Å; I199-Y270 HydrophobicContact CB-CD1 4.25Å; I199-Y270 HydrophobicContact CD1-CD1 4.3Å; I199-Y270 HydrophobicContact CD1-CE1 4.39Å; I199-Y270 HydrophobicContact CG2-CD1 4.09Å; I199-Y270 HydrophobicContact CG2-CG 4.24Å; I199-A271 PolarHBondContact N-O 2.88Å; I199-G272 WeakPolarHBondContact O-CA 3.4Å; I199-I273 WeakPolarHBondContact O-CG2 3.44Å; I199-I273 PolarHBondContact O-N 3.38Å |
| 200 | Y | 98.7 | Very high | 97.7 | Very high | 160 Ų | 160 | 58.9 Ų | 58.9 | 63% | 0.627 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.5 | 171.3 | 178.8 | -91.8 | 0 | 0 | 0 | 109.1 | F203 I273 | Y200-F203 AromaticContact CE2-CE1 3.85Å; Y200-F203 HydrophobicContact CE2-CE1 3.85Å; Y200-F203 AromaticContact CE2-CZ 3.61Å; Y200-F203 HydrophobicContact CE2-CZ 3.61Å; Y200-F203 AromaticContact CZ-CE1 3.79Å; Y200-F203 AromaticContact CZ-CZ 3.65Å; Y200-F203 VanDerWaalsContact OH-CZ 3.27Å; Y200-F203 WeakPolarHBondContact OH-CZ 3.17Å; Y200-I273 HydrophobicContact CD2-CG2 4.14Å |
| 201 | T | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | trans | -106.4 | 151.1 | -170.2 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | F203 P251 I252 | T201-F203 WeakPolarHBondContact O-CD1 3.29Å; T201-F203 VanDerWaalsContact O-CE1 3.25Å; T201-F203 WeakPolarHBondContact O-CE1 3.49Å; T201-F203 PolarHBondContact O-N 3.21Å; T201-P251 VanDerWaalsContact CB-CG 3.48Å; T201-P251 HydrophobicContact CG2-CB 4.21Å; T201-P251 HydrophobicContact CG2-CG 3.75Å; T201-I252 HydrophobicContact CG2-CD1 4.17Å; T201-I252 HydrophobicContact CG2-CG1 3.7Å | ||
| 202 | P | 98.4 | Very high | 97.3 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | trans | -57.3 | 136.3 | 164.7 | -21.8 | 33.3 | 0 | 0 | 0 | 111.3 | F204 | P202-F204 VanDerWaalsContact C-N 3.28Å; P202-F204 PolarHBondContact O-N 2.91Å | ||
| 203 | F | 98.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 18% | 0.18 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -85.3 | -0.5 | -177 | -65.2 | -4.7 | 0 | 0 | 0 | 113.9 | Y200 T201 L244 I245 S275 F277 | Y200-F203 AromaticContact CE2-CE1 3.85Å; Y200-F203 HydrophobicContact CE2-CE1 3.85Å; Y200-F203 AromaticContact CE2-CZ 3.61Å; Y200-F203 HydrophobicContact CE2-CZ 3.61Å; Y200-F203 AromaticContact CZ-CE1 3.79Å; Y200-F203 AromaticContact CZ-CZ 3.65Å; Y200-F203 VanDerWaalsContact OH-CZ 3.27Å; Y200-F203 WeakPolarHBondContact OH-CZ 3.17Å; T201-F203 WeakPolarHBondContact O-CD1 3.29Å; T201-F203 VanDerWaalsContact O-CE1 3.25Å; T201-F203 WeakPolarHBondContact O-CE1 3.49Å; T201-F203 PolarHBondContact O-N 3.21Å; F203-L244 CarbonylContact O-C 3.54Å; F203-L244 VanDerWaalsContact O-CA 3.26Å; F203-L244 WeakPolarHBondContact O-CA 3.22Å; F203-L244 WeakPolarHBondContact O-CD2 3.45Å; F203-I245 HydrophobicContact CD1-CD1 4.14Å; F203-I245 PolarHBondContact O-N 2.92Å; F203-S275 VanDerWaalsContact CZ-N 3.29Å; F203-F277 HydrophobicContact CB-CE2 4.1Å; F203-F277 HydrophobicContact CD2-CE2 4.15Å; F203-F277 HydrophobicContact CD2-CZ 4.44Å; F203-F277 HydrophobicContact CG-CE2 4.34Å |
| 204 | F | 97.3 | Very high | 96.8 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.3 | 174.3 | 49 | -94.8 | 0 | 0 | 0 | 110.7 | P202 K242 Y243 L244 | P202-F204 VanDerWaalsContact C-N 3.28Å; P202-F204 PolarHBondContact O-N 2.91Å; F204-K242 HydrophobicContact CB-CB 4.47Å; F204-K242 HydrophobicContact CD2-CD 3.71Å; F204-K242 HydrophobicContact CE2-CD 4.19Å; F204-Y243 CarbonylContact C-O 3.53Å; F204-Y243 WeakPolarHBondContact CA-O 3.36Å; F204-L244 HydrophobicContact CB-CD2 4.32Å |
| 205 | M | 97.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.7 | 177.1 | -61.2 | 174.9 | 67.5 | 0 | 0 | 110.6 | V209 M210 V213 K242 Y243 I245 Q250 P251 A254 | M205-V209 HydrophobicContact CE-CB 4.32Å; M205-V209 HydrophobicContact CE-CG1 3.67Å; M205-M210 HydrophobicContact CB-CB 4.36Å; M205-M210 HydrophobicContact CB-CE 4Å; M205-M210 HydrophobicContact CG-CE 4.17Å; M205-M210 HydrophobicContact SD-CE 3.77Å; M205-M210 HydrophobicContact SD-SD 4.16Å; M205-V213 HydrophobicContact CE-CG2 3.92Å; M205-V213 HydrophobicContact SD-CG2 4.42Å; M205-K242 CarbonylContact O-C 3.42Å; M205-K242 VanDerWaalsContact O-CA 3.25Å; M205-K242 WeakPolarHBondContact O-CA 3.32Å; M205-K242 WeakPolarHBondContact O-CB 3.45Å; M205-Y243 PolarHBondContact N-O 3.46Å; M205-Y243 PolarHBondContact O-N 3.02Å; M205-I245 HydrophobicContact CG-CG2 3.83Å; M205-I245 HydrophobicContact SD-CG2 3.95Å; M205-Q250 WeakPolarHBondContact CE-O 3.4Å; M205-Q250 HydrophobicContact SD-CB 3.62Å; M205-P251 HydrophobicContact SD-CB 4.18Å; M205-A254 HydrophobicContact CE-CB 3.72Å |
| 206 | R | 96.5 | Very high | 95.3 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142.1 | 171.8 | -63.8 | -173.7 | -64.5 | 133.6 | 11.9 | 109.7 | E208 V209 M210 E240 | R206-E208 VanDerWaalsContact C-N 3.28Å; R206-E208 HydrophobicContact CB-CG 4.33Å; R206-E208 IonicContact CZ-OE1 2.71Å; R206-E208 IonicContact NH1-OE1 3.69Å; R206-E208 PolarHBondContact NH1-OE1 2.97Å; R206-E208 IonicContact NH2-OE1 3.74Å; R206-E208 PolarHBondContact NH2-OE1 3.01Å; R206-E208 PolarHBondContact O-N 3.41Å; R206-V209 HydrophobicContact CB-CG2 4.37Å; R206-V209 PolarHBondContact O-N 3.17Å; R206-M210 PolarHBondContact O-N 2.8Å; R206-E240 WeakPolarHBondContact CD-OE1 3.43Å |
| 207 | K | 95.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -47.8 | -48.1 | -179.1 | -179.3 | 171.7 | -169.3 | 173.4 | 0 | 113.3 | V209 M210 Q211 E241 Y243 | K207-V209 VanDerWaalsContact C-N 3.26Å; K207-V209 PolarHBondContact O-N 3.05Å; K207-M210 PolarHBondContact O-N 2.85Å; K207-Q211 VanDerWaalsContact O-CG 3.28Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.28Å; K207-E241 HydrophobicContact CD-CB 4.33Å; K207-E241 VanDerWaalsContact CD-OE2 3.29Å; K207-E241 WeakPolarHBondContact CD-OE2 3.35Å; K207-E241 PolarHBondContact N-O 2.82Å; K207-E241 IonicContact NZ-OE2 3.56Å; K207-E241 PolarHBondContact NZ-OE2 3.05Å; K207-Y243 HydrophobicContact CB-CD2 4.28Å; K207-Y243 HydrophobicContact CB-CE2 3.87Å; K207-Y243 HydrophobicContact CD-CE2 4.15Å; K207-Y243 HydrophobicContact CG-CE2 3.79Å |
| 208 | E | 94.2 | Very high | 93.7 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -33.5 | -178.6 | 63.8 | 177.8 | -153.4 | 0 | 0 | 113.4 | R206 | R206-E208 VanDerWaalsContact C-N 3.28Å; R206-E208 HydrophobicContact CB-CG 4.33Å; R206-E208 IonicContact CZ-OE1 2.71Å; R206-E208 IonicContact NH1-OE1 3.69Å; R206-E208 PolarHBondContact NH1-OE1 2.97Å; R206-E208 IonicContact NH2-OE1 3.74Å; R206-E208 PolarHBondContact NH2-OE1 3.01Å; R206-E208 PolarHBondContact O-N 3.41Å |
| 209 | V | 96.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -83.5 | -40.2 | 179.5 | -172 | 0 | 0 | 0 | 0 | 110.1 | M205 R206 K207 Q211 E212 A254 | M205-V209 HydrophobicContact CE-CB 4.32Å; M205-V209 HydrophobicContact CE-CG1 3.67Å; R206-V209 HydrophobicContact CB-CG2 4.37Å; R206-V209 PolarHBondContact O-N 3.17Å; K207-V209 VanDerWaalsContact C-N 3.26Å; K207-V209 PolarHBondContact O-N 3.05Å; V209-Q211 PolarHBondContact O-N 3.49Å; V209-E212 WeakPolarHBondContact O-CB 3.43Å; V209-E212 PolarHBondContact O-N 2.99Å; V209-A254 HydrophobicContact CG1-CB 3.62Å |
| 210 | M | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 176.2 | -173.8 | 58.9 | 88.3 | 0 | 0 | 111.5 | M205 R206 K207 E212 V213 A214 F219 L223 I245 Q250 | M205-M210 HydrophobicContact CB-CB 4.36Å; M205-M210 HydrophobicContact CB-CE 4Å; M205-M210 HydrophobicContact CG-CE 4.17Å; M205-M210 HydrophobicContact SD-CE 3.77Å; M205-M210 HydrophobicContact SD-SD 4.16Å; R206-M210 PolarHBondContact O-N 2.8Å; K207-M210 PolarHBondContact O-N 2.85Å; M210-E212 PolarHBondContact O-N 3.25Å; M210-E212 VanDerWaalsContact O-N 3.1Å; M210-V213 WeakPolarHBondContact O-CG2 3.32Å; M210-V213 PolarHBondContact O-N 2.9Å; M210-V213 HydrophobicContact SD-CG2 3.84Å; M210-A214 HydrophobicContact CG-CB 4.16Å; M210-A214 WeakPolarHBondContact O-CB 3.4Å; M210-A214 PolarHBondContact O-N 2.85Å; M210-A214 HydrophobicContact SD-CB 3.99Å; M210-F219 HydrophobicContact CB-CE1 4.39Å; M210-F219 HydrophobicContact CB-CZ 4.15Å; M210-F219 HydrophobicContact CG-CE1 3.96Å; M210-F219 HydrophobicContact CG-CZ 3.75Å; M210-L223 HydrophobicContact CE-CD1 4.44Å; M210-L223 HydrophobicContact CE-CD2 4.27Å; M210-L223 HydrophobicContact CG-CD1 3.75Å; M210-L223 HydrophobicContact SD-CD1 4.02Å; M210-I245 HydrophobicContact CE-CG2 4.29Å; M210-Q250 HydrophobicContact SD-CB 4.4Å; M210-Q250 HydrophobicContact SD-CG 4.21Å |
| 211 | Q | 93.5 | Very high | 91.9 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 41% | 0.411 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -15.4 | 176.2 | -74.6 | 175.7 | -32.8 | 0 | 0 | 114.2 | K207 V209 F219 | K207-Q211 VanDerWaalsContact O-CG 3.28Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.28Å; V209-Q211 PolarHBondContact O-N 3.49Å; Q211-F219 HydrophobicContact CB-CZ 4.27Å; Q211-F219 HydrophobicContact CG-CE1 4.26Å; Q211-F219 HydrophobicContact CG-CE2 4.02Å; Q211-F219 HydrophobicContact CG-CZ 3.5Å; Q211-F219 VanDerWaalsContact CG-CZ 3.5Å |
| 212 | E | 94.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -86.2 | -25.1 | 176 | -64.6 | -172.3 | 178.4 | 0 | 0 | 112.6 | M1 V209 M210 R257 R381 L382 R383 | M1-E212 WeakPolarHBondContact CG-O 3.42Å; M1-E212 PolarHBondContact N-O 3.29Å; V209-E212 WeakPolarHBondContact O-CB 3.43Å; V209-E212 PolarHBondContact O-N 2.99Å; M210-E212 PolarHBondContact O-N 3.25Å; M210-E212 VanDerWaalsContact O-N 3.1Å; E212-R257 IonicContact OE1-CZ 2.68Å; E212-R257 IonicContact OE1-NE 3.92Å; E212-R257 PolarHBondContact OE1-NE 2.95Å; E212-R257 IonicContact OE1-NH2 2.65Å; E212-R257 PolarHBondContact OE1-NH2 3.48Å; E212-R257 WeakPolarHBondContact OE2-CD 3.39Å; E212-R257 IonicContact OE2-CZ 2.72Å; E212-R257 IonicContact OE2-NE 3.71Å; E212-R257 PolarHBondContact OE2-NE 2.89Å; E212-R257 IonicContact OE2-NH2 3.7Å; E212-R381 HydrophobicContact CB-CG 3.84Å; E212-R381 HydrophobicContact CG-CG 4.11Å; E212-R381 WeakPolarHBondContact O-CG 3.41Å; E212-R381 IonicContact OE1-NH1 3.19Å; E212-L382 HydrophobicContact CB-CD2 3.75Å; E212-L382 HydrophobicContact CB-CG 4.48Å; E212-R383 IonicContact OE1-NH1 2.63Å |
| 213 | V | 94.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -112.8 | -15.9 | -174.5 | -60.2 | 0 | 0 | 0 | 0 | 115 | M1 M205 M210 Q250 A253 A254 L382 | M1-V213 VanDerWaalsContact CE-O 3.23Å; M1-V213 WeakPolarHBondContact CE-O 3.36Å; M1-V213 VanDerWaalsContact SD-O 3.35Å; M205-V213 HydrophobicContact CE-CG2 3.92Å; M205-V213 HydrophobicContact SD-CG2 4.42Å; M210-V213 WeakPolarHBondContact O-CG2 3.32Å; M210-V213 PolarHBondContact O-N 2.9Å; M210-V213 HydrophobicContact SD-CG2 3.84Å; V213-Q250 HydrophobicContact CG2-CB 3.87Å; V213-Q250 HydrophobicContact CG2-CG 3.98Å; V213-A253 HydrophobicContact CG1-CB 4.03Å; V213-A254 HydrophobicContact CG1-CB 4.3Å; V213-L382 HydrophobicContact CG1-CD1 3.86Å; V213-L382 HydrophobicContact CG1-CD2 3.81Å; V213-L382 HydrophobicContact CG1-CG 4.26Å |
| 214 | A | 91.5 | Very high | 91.2 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -109.2 | 153.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1 M210 D218 F219 L223 | M1-A214 VanDerWaalsContact CE-C 3.45Å; M210-A214 HydrophobicContact CG-CB 4.16Å; M210-A214 WeakPolarHBondContact O-CB 3.4Å; M210-A214 PolarHBondContact O-N 2.85Å; M210-A214 HydrophobicContact SD-CB 3.99Å; A214-D218 HydrophobicContact CB-CB 4.24Å; A214-F219 HydrophobicContact CB-CE2 4Å; A214-F219 HydrophobicContact CB-CZ 4.43Å; A214-L223 HydrophobicContact CB-CD1 3.98Å |
| 215 | Q | 84.8 | Confident | 91.1 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | trans | -81.2 | 162.1 | 171.1 | -60.3 | 179.6 | 15.5 | 0 | 0 | 110.2 | M1 S217 D218 F219 | M1-Q215 HydrophobicContact CE-CG 3.6Å; Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 3.11Å; Q215-D218 WeakPolarHBondContact CB-OD2 3.48Å; Q215-D218 PolarHBondContact N-OD2 2.81Å; Q215-D218 WeakPolarHBondContact O-CB 3.34Å; Q215-D218 PolarHBondContact O-N 3.44Å; Q215-F219 VanDerWaalsContact O-CD2 3.31Å; Q215-F219 WeakPolarHBondContact O-CD2 3.35Å | ||
| 216 | L | 80.3 | Confident | 91.1 | Very high | 122 Ų | 122 | 55.3 Ų | 55.3 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 179.6 | -71.6 | 171.8 | 0 | 0 | 0 | 111.9 | D218 F219 | L216-D218 PolarHBondContact O-N 3.28Å; L216-F219 WeakPolarHBondContact O-CB 3.25Å; L216-F219 PolarHBondContact O-N 3.11Å |
| 217 | S | 83.1 | Confident | 91 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -31.5 | 176.7 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | Q215 F219 D220 D221 | Q215-S217 VanDerWaalsContact C-N 3.33Å; Q215-S217 PolarHBondContact O-N 3.11Å; S217-F219 PolarHBondContact O-N 3.24Å; S217-D220 PolarHBondContact O-N 3.2Å; S217-D220 VanDerWaalsContact O-N 3.13Å; S217-D221 WeakPolarHBondContact O-CB 3.48Å; S217-D221 PolarHBondContact O-N 3.39Å |
| 218 | D | 81.6 | Confident | 90.8 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -30.9 | -179.8 | -60.4 | -30.3 | 0 | 0 | 0 | 111.7 | A214 Q215 L216 D220 Q222 L223 | A214-D218 HydrophobicContact CB-CB 4.24Å; Q215-D218 WeakPolarHBondContact CB-OD2 3.48Å; Q215-D218 PolarHBondContact N-OD2 2.81Å; Q215-D218 WeakPolarHBondContact O-CB 3.34Å; Q215-D218 PolarHBondContact O-N 3.44Å; L216-D218 PolarHBondContact O-N 3.28Å; D218-D220 VanDerWaalsContact C-N 3.28Å; D218-D220 PolarHBondContact O-N 3.26Å; D218-Q222 HydrophobicContact CB-CB 4.46Å; D218-Q222 WeakPolarHBondContact O-CA 3.34Å; D218-Q222 PolarHBondContact O-N 3.03Å; D218-Q222 PolarHBondContact OD1-NE2 2.76Å; D218-L223 HydrophobicContact CB-CD1 4.34Å; D218-L223 HydrophobicContact CB-CG 4.37Å; D218-L223 WeakPolarHBondContact O-CG 3.37Å; D218-L223 PolarHBondContact O-N 3.48Å |
| 219 | F | 85 | Confident | 90.6 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 15% | 0.145 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -31.2 | 177.2 | -75.7 | -88.4 | 0 | 0 | 0 | 113.2 | M210 Q211 A214 Q215 L216 S217 L223 Y243 | M210-F219 HydrophobicContact CB-CE1 4.39Å; M210-F219 HydrophobicContact CB-CZ 4.15Å; M210-F219 HydrophobicContact CG-CE1 3.96Å; M210-F219 HydrophobicContact CG-CZ 3.75Å; Q211-F219 HydrophobicContact CB-CZ 4.27Å; Q211-F219 HydrophobicContact CG-CE1 4.26Å; Q211-F219 HydrophobicContact CG-CE2 4.02Å; Q211-F219 HydrophobicContact CG-CZ 3.5Å; Q211-F219 VanDerWaalsContact CG-CZ 3.5Å; A214-F219 HydrophobicContact CB-CE2 4Å; A214-F219 HydrophobicContact CB-CZ 4.43Å; Q215-F219 VanDerWaalsContact O-CD2 3.31Å; Q215-F219 WeakPolarHBondContact O-CD2 3.35Å; L216-F219 WeakPolarHBondContact O-CB 3.25Å; L216-F219 PolarHBondContact O-N 3.11Å; S217-F219 PolarHBondContact O-N 3.24Å; F219-L223 HydrophobicContact CD1-CD1 4.11Å; F219-L223 HydrophobicContact CD2-CD1 4.49Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CG-CD1 4.26Å; F219-L223 HydrophobicContact CZ-CD1 4.42Å; F219-Y243 HydrophobicContact CD1-CD1 4.11Å; F219-Y243 AromaticContact CD1-CE1 3.61Å; F219-Y243 HydrophobicContact CD1-CE1 3.61Å; F219-Y243 HydrophobicContact CD1-CE2 4.08Å; F219-Y243 AromaticContact CD1-CZ 3.59Å; F219-Y243 HydrophobicContact CE1-CD1 4.32Å; F219-Y243 HydrophobicContact CE1-CD2 4Å; F219-Y243 HydrophobicContact CE1-CE1 4.08Å; F219-Y243 AromaticContact CE1-CE2 3.77Å; F219-Y243 HydrophobicContact CE1-CE2 3.77Å; F219-Y243 HydrophobicContact CE1-CG 4.27Å; F219-Y243 AromaticContact CE1-CZ 3.79Å |
| 220 | D | 84.7 | Confident | 90 | Very high | 122 Ų | 122 | 55.5 Ų | 55.5 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -90.7 | -35.7 | -179 | -64.8 | -35.4 | 0 | 0 | 0 | 111.4 | S217 D218 Q279 | S217-D220 PolarHBondContact O-N 3.2Å; S217-D220 VanDerWaalsContact O-N 3.13Å; D218-D220 VanDerWaalsContact C-N 3.28Å; D218-D220 PolarHBondContact O-N 3.26Å; D220-Q279 PolarHBondContact O-OE1 3.24Å |
| 221 | D | 86.8 | Confident | 89.4 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -104.5 | -25.4 | -167.9 | -65.5 | -31.5 | 0 | 0 | 0 | 115 | S217 V281 | S217-D221 WeakPolarHBondContact O-CB 3.48Å; S217-D221 PolarHBondContact O-N 3.39Å; D221-V281 HydrophobicContact CB-CB 4.28Å; D221-V281 WeakPolarHBondContact O-CB 3.45Å; D221-V281 WeakPolarHBondContact O-CG2 3.46Å; D221-V281 PolarHBondContact O-N 3Å |
| 222 | Q | 88.5 | Confident | 89 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -39.4 | -168.4 | -60.3 | -170.6 | 22.6 | 0 | 0 | 114.1 | D218 R278 Q279 | D218-Q222 HydrophobicContact CB-CB 4.46Å; D218-Q222 WeakPolarHBondContact O-CA 3.34Å; D218-Q222 PolarHBondContact O-N 3.03Å; D218-Q222 PolarHBondContact OD1-NE2 2.76Å; Q222-R278 CarbonylContact O-C 3.59Å; Q222-R278 WeakPolarHBondContact O-CA 3.34Å; Q222-Q279 PolarHBondContact O-N 3.43Å |
| 223 | L | 95.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 125.2 | -166.1 | -60.5 | 177.1 | 0 | 0 | 0 | 112.9 | M210 A214 D218 F219 Y243 A246 Q279 | M210-L223 HydrophobicContact CE-CD1 4.44Å; M210-L223 HydrophobicContact CE-CD2 4.27Å; M210-L223 HydrophobicContact CG-CD1 3.75Å; M210-L223 HydrophobicContact SD-CD1 4.02Å; A214-L223 HydrophobicContact CB-CD1 3.98Å; D218-L223 HydrophobicContact CB-CD1 4.34Å; D218-L223 HydrophobicContact CB-CG 4.37Å; D218-L223 WeakPolarHBondContact O-CG 3.37Å; D218-L223 PolarHBondContact O-N 3.48Å; F219-L223 HydrophobicContact CD1-CD1 4.11Å; F219-L223 HydrophobicContact CD2-CD1 4.49Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CG-CD1 4.26Å; F219-L223 HydrophobicContact CZ-CD1 4.42Å; L223-Y243 HydrophobicContact CB-CD1 3.91Å; L223-A246 HydrophobicContact CD2-CB 3.91Å; L223-Q279 PolarHBondContact O-NE2 2.86Å |
| 224 | Y | 97 | Very high | 87.9 | Confident | 71 Ų | 71 | 74.6 Ų | 74.6 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 130.2 | 168.1 | -75.4 | -85.7 | 0 | 0 | 0 | 111.2 | Y243 L244 F277 R278 Q279 H295 | Y224-Y243 CarbonylContact O-C 3.59Å; Y224-Y243 VanDerWaalsContact O-CA 3.27Å; Y224-Y243 WeakPolarHBondContact O-CA 3.37Å; Y224-L244 PolarHBondContact O-N 2.85Å; Y224-F277 HydrophobicContact CD2-CB 4Å; Y224-R278 VanDerWaalsContact CE2-C 3.44Å; Y224-Q279 HydrophobicContact CD1-CG 3.85Å; Y224-Q279 HydrophobicContact CD2-CG 3.72Å; Y224-Q279 HydrophobicContact CE1-CG 3.76Å; Y224-Q279 HydrophobicContact CE2-CB 4.29Å; Y224-Q279 HydrophobicContact CE2-CG 3.65Å; Y224-Q279 HydrophobicContact CG-CG 3.83Å; Y224-H295 HydrophobicContact CE2-CB 4.4Å; Y224-H295 PolarHBondContact OH-ND1 3.44Å; Y224-H295 VanDerWaalsContact OH-ND1 3.14Å |
| 225 | K | 96.9 | Very high | 87.3 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.1 | 173 | -169.8 | -178.2 | -171.4 | -167 | 0 | 110.9 | I227 E241 Y243 | K225-I227 HydrophobicContact CD-CD1 4.06Å; K225-I227 VanDerWaalsContact CE-CD1 3.45Å; K225-I227 HydrophobicContact CG-CD1 4.2Å; K225-E241 VanDerWaalsContact CE-OE1 3.23Å; K225-E241 WeakPolarHBondContact CE-OE1 3.27Å; K225-E241 IonicContact NZ-OE1 2.74Å; K225-E241 PolarHBondContact NZ-OE1 2.69Å; K225-E241 IonicContact NZ-OE2 2.71Å; K225-Y243 HydrophobicContact CB-CD1 4.27Å; K225-Y243 HydrophobicContact CB-CE1 3.95Å; K225-Y243 HydrophobicContact CG-CE1 4.09Å |
| 226 | V | 96.3 | Very high | 86.9 | Confident | 49 Ų | 49 | 80.7 Ų | 80.7 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.7 | 174 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | K242 L244 | V226-K242 HydrophobicContact CB-CB 4.26Å; V226-K242 PolarHBondContact N-O 2.97Å; V226-K242 PolarHBondContact O-N 2.76Å; V226-L244 HydrophobicContact CG2-CD1 4.36Å; V226-L244 HydrophobicContact CG2-CD2 4.01Å; V226-L244 HydrophobicContact CG2-CG 3.66Å |
| 227 | I | 95 | Very high | 86.9 | Confident | 78 Ų | 78 | 82.5 Ų | 82.5 | 40% | 0.4 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.9 | 173.1 | -59.1 | -58.7 | 0 | 0 | 0 | 108.2 | K225 E239 E241 | K225-I227 HydrophobicContact CD-CD1 4.06Å; K225-I227 VanDerWaalsContact CE-CD1 3.45Å; K225-I227 HydrophobicContact CG-CD1 4.2Å; I227-E239 HydrophobicContact CG2-CB 4.08Å; I227-E239 HydrophobicContact CG2-CG 4.02Å; I227-E241 HydrophobicContact CD1-CB 4.47Å; I227-E241 HydrophobicContact CD1-CG 3.87Å |
| 228 | G | 90.3 | Very high | 87.2 | Confident | 28 Ų | 28 | 89.3 Ų | 89.3 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 170.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E239 E240 | G228-E239 CarbonylContact O-C 3.47Å; G228-E239 WeakPolarHBondContact O-CA 3.12Å; G228-E240 PolarHBondContact N-O 3.35Å; G228-E240 VanDerWaalsContact N-O 3.11Å; G228-E240 PolarHBondContact O-N 2.74Å |
| 229 | K | 89.7 | Confident | 87.5 | Confident | 150 Ų | 150 | 94.6 Ų | 94.6 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141 | 166.8 | -65.2 | -178.9 | 179.8 | -178.5 | 0 | 109.1 | S231 | K229-S231 WeakPolarHBondContact CB-O 3.27Å; K229-S231 PolarHBondContact O-N 3.5Å |
| 230 | S | 84.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 95.7 Ų | 95.7 | 32% | 0.315 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -73.5 | -15.1 | 176 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | R238 | S230-R238 VanDerWaalsContact CB-O 3.3Å; S230-R238 WeakPolarHBondContact CB-O 3.48Å; S230-R238 PolarHBondContact N-O 3.4Å; S230-R238 VanDerWaalsContact OG-CB 3.32Å; S230-R238 WeakPolarHBondContact OG-CB 3.5Å; S230-R238 PolarHBondContact OG-O 2.97Å |
| 231 | S | 84.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 92.9 Ų | 92.9 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | trans | -143.9 | 147.5 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | K229 A233 E236 | K229-S231 WeakPolarHBondContact CB-O 3.27Å; K229-S231 PolarHBondContact O-N 3.5Å; S231-A233 VanDerWaalsContact OG-CB 3.27Å; S231-A233 WeakPolarHBondContact OG-CB 3.06Å; S231-A233 PolarHBondContact OG-N 3.46Å; S231-A233 VanDerWaalsContact OG-N 3.11Å; S231-E236 WeakPolarHBondContact CB-OE2 3.32Å; S231-E236 PolarHBondContact OG-OE2 3.47Å | ||
| 232 | E | 85.1 | Confident | 88.8 | Confident | 202 Ų | 202 | 91.3 Ų | 91.3 | 94% | 0.944 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -78.8 | -8.3 | 171.3 | -62.3 | -179.3 | -175.3 | 0 | 0 | 111.9 | K234 | E232-K234 PolarHBondContact O-N 2.99Š|
| 233 | A | 83.1 | Confident | 89.3 | Confident | 47 Ų | 47 | 88.9 Ų | 88.9 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -64.9 | 126.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S231 G235 E236 | S231-A233 VanDerWaalsContact OG-CB 3.27Å; S231-A233 WeakPolarHBondContact OG-CB 3.06Å; S231-A233 PolarHBondContact OG-N 3.46Å; S231-A233 VanDerWaalsContact OG-N 3.11Å; A233-G235 PolarHBondContact O-N 2.93Å; A233-E236 HydrophobicContact CB-CG 4.34Å; A233-E236 PolarHBondContact O-N 3.42Å |
| 234 | K | 80.9 | Confident | 89.4 | Confident | 221 Ų | 221 | 90.5 Ų | 90.5 | 96% | 0.961 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 121.2 | 173.3 | -70.1 | -176.9 | 179 | 178.7 | 0 | 109.4 | E232 | E232-K234 PolarHBondContact O-N 2.99Š|
| 235 | G | 79.5 | Confident | 89.5 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 75% | 0.753 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110 | -15.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A233 M237 | A233-G235 PolarHBondContact O-N 2.93Å; G235-M237 PolarHBondContact O-N 3.16Å |
| 236 | E | 77.4 | Confident | 89.5 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | trans | -80.6 | 121.8 | 173.1 | -73.2 | -169.3 | -153.9 | 0 | 0 | 111.3 | S231 A233 | S231-E236 WeakPolarHBondContact CB-OE2 3.32Å; S231-E236 PolarHBondContact OG-OE2 3.47Å; A233-E236 HydrophobicContact CB-CG 4.34Å; A233-E236 PolarHBondContact O-N 3.42Å | ||
| 237 | M | 80.1 | Confident | 89.6 | Confident | 160 Ų | 160 | 80.5 Ų | 80.5 | 79% | 0.788 | 41% | 0.41 | S | S | * | . | trans | -104.8 | 2.9 | -178 | -65 | -64.7 | -72.5 | 0 | 0 | 112.9 | G235 E239 | G235-M237 PolarHBondContact O-N 3.16Å; M237-E239 PolarHBondContact O-N 2.82Å | ||
| 238 | R | 88.3 | Confident | 89.7 | Confident | 196 Ų | 196 | 76.8 Ų | 76.8 | 74% | 0.74 | 39% | 0.391 | S | S | * | . | trans | -72.3 | 122 | -178.9 | -179.1 | -179.5 | -174.2 | -178.2 | 2 | 109.5 | S230 | S230-R238 VanDerWaalsContact CB-O 3.3Å; S230-R238 WeakPolarHBondContact CB-O 3.48Å; S230-R238 PolarHBondContact N-O 3.4Å; S230-R238 VanDerWaalsContact OG-CB 3.32Å; S230-R238 WeakPolarHBondContact OG-CB 3.5Å; S230-R238 PolarHBondContact OG-O 2.97Å | ||
| 239 | E | 89.4 | Confident | 90.1 | Very high | 136 Ų | 136 | 76.9 Ų | 76.9 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 148 | 176 | -64.7 | -177.2 | 169.2 | 0 | 0 | 111.3 | I227 G228 M237 | I227-E239 HydrophobicContact CG2-CB 4.08Å; I227-E239 HydrophobicContact CG2-CG 4.02Å; G228-E239 CarbonylContact O-C 3.47Å; G228-E239 WeakPolarHBondContact O-CA 3.12Å; M237-E239 PolarHBondContact O-N 2.82Å |
| 240 | E | 92 | Very high | 90.5 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.2 | 171.3 | -168.9 | -172.2 | 170 | 0 | 0 | 109.6 | R206 G228 K242 | R206-E240 WeakPolarHBondContact CD-OE1 3.43Å; G228-E240 PolarHBondContact N-O 3.35Å; G228-E240 VanDerWaalsContact N-O 3.11Å; G228-E240 PolarHBondContact O-N 2.74Å; E240-K242 WeakPolarHBondContact OE1-CE 3.33Å; E240-K242 IonicContact OE1-NZ 2.67Å; E240-K242 WeakPolarHBondContact OE2-CE 3.23Å; E240-K242 IonicContact OE2-NZ 3.75Å; E240-K242 PolarHBondContact OE2-NZ 3.48Å |
| 241 | E | 94.9 | Very high | 91.2 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.5 | 177 | -55.2 | -172.6 | 161.1 | 0 | 0 | 110.7 | K207 K225 I227 | K207-E241 HydrophobicContact CD-CB 4.33Å; K207-E241 VanDerWaalsContact CD-OE2 3.29Å; K207-E241 WeakPolarHBondContact CD-OE2 3.35Å; K207-E241 PolarHBondContact N-O 2.82Å; K207-E241 IonicContact NZ-OE2 3.56Å; K207-E241 PolarHBondContact NZ-OE2 3.05Å; K225-E241 VanDerWaalsContact CE-OE1 3.23Å; K225-E241 WeakPolarHBondContact CE-OE1 3.27Å; K225-E241 IonicContact NZ-OE1 2.74Å; K225-E241 PolarHBondContact NZ-OE1 2.69Å; K225-E241 IonicContact NZ-OE2 2.71Å; I227-E241 HydrophobicContact CD1-CB 4.47Å; I227-E241 HydrophobicContact CD1-CG 3.87Å |
| 242 | K | 96.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 168.5 | 170.4 | -57.9 | -173.2 | 179.7 | 77.1 | 0 | 109.1 | F204 M205 V226 E240 | F204-K242 HydrophobicContact CB-CB 4.47Å; F204-K242 HydrophobicContact CD2-CD 3.71Å; F204-K242 HydrophobicContact CE2-CD 4.19Å; M205-K242 CarbonylContact O-C 3.42Å; M205-K242 VanDerWaalsContact O-CA 3.25Å; M205-K242 WeakPolarHBondContact O-CA 3.32Å; M205-K242 WeakPolarHBondContact O-CB 3.45Å; V226-K242 HydrophobicContact CB-CB 4.26Å; V226-K242 PolarHBondContact N-O 2.97Å; V226-K242 PolarHBondContact O-N 2.76Å; E240-K242 WeakPolarHBondContact OE1-CE 3.33Å; E240-K242 IonicContact OE1-NZ 2.67Å; E240-K242 WeakPolarHBondContact OE2-CE 3.23Å; E240-K242 IonicContact OE2-NZ 3.75Å; E240-K242 PolarHBondContact OE2-NZ 3.48Å |
| 243 | Y | 98.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 8% | 0.078 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 135.8 | 177.3 | -69.6 | -93.9 | 0 | 0 | 0 | 109.8 | F204 M205 K207 F219 L223 Y224 K225 | F204-Y243 CarbonylContact C-O 3.53Å; F204-Y243 WeakPolarHBondContact CA-O 3.36Å; M205-Y243 PolarHBondContact N-O 3.46Å; M205-Y243 PolarHBondContact O-N 3.02Å; K207-Y243 HydrophobicContact CB-CD2 4.28Å; K207-Y243 HydrophobicContact CB-CE2 3.87Å; K207-Y243 HydrophobicContact CD-CE2 4.15Å; K207-Y243 HydrophobicContact CG-CE2 3.79Å; F219-Y243 HydrophobicContact CD1-CD1 4.11Å; F219-Y243 AromaticContact CD1-CE1 3.61Å; F219-Y243 HydrophobicContact CD1-CE1 3.61Å; F219-Y243 HydrophobicContact CD1-CE2 4.08Å; F219-Y243 AromaticContact CD1-CZ 3.59Å; F219-Y243 HydrophobicContact CE1-CD1 4.32Å; F219-Y243 HydrophobicContact CE1-CD2 4Å; F219-Y243 HydrophobicContact CE1-CE1 4.08Å; F219-Y243 AromaticContact CE1-CE2 3.77Å; F219-Y243 HydrophobicContact CE1-CE2 3.77Å; F219-Y243 HydrophobicContact CE1-CG 4.27Å; F219-Y243 AromaticContact CE1-CZ 3.79Å; L223-Y243 HydrophobicContact CB-CD1 3.91Å; Y224-Y243 CarbonylContact O-C 3.59Å; Y224-Y243 VanDerWaalsContact O-CA 3.27Å; Y224-Y243 WeakPolarHBondContact O-CA 3.37Å; K225-Y243 HydrophobicContact CB-CD1 4.27Å; K225-Y243 HydrophobicContact CB-CE1 3.95Å; K225-Y243 HydrophobicContact CG-CE1 4.09Å |
| 244 | L | 98.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 56 Ų | 56 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 144.2 | 170.1 | -68.2 | 173.2 | 0 | 0 | 0 | 109.7 | F203 F204 Y224 V226 F277 | F203-L244 CarbonylContact O-C 3.54Å; F203-L244 VanDerWaalsContact O-CA 3.26Å; F203-L244 WeakPolarHBondContact O-CA 3.22Å; F203-L244 WeakPolarHBondContact O-CD2 3.45Å; F204-L244 HydrophobicContact CB-CD2 4.32Å; Y224-L244 PolarHBondContact O-N 2.85Å; V226-L244 HydrophobicContact CG2-CD1 4.36Å; V226-L244 HydrophobicContact CG2-CD2 4.01Å; V226-L244 HydrophobicContact CG2-CG 3.66Å; L244-F277 HydrophobicContact CB-CB 3.81Å; L244-F277 HydrophobicContact CB-CD2 3.84Å; L244-F277 HydrophobicContact CB-CG 3.93Å; L244-F277 HydrophobicContact CD1-CB 4.08Å; L244-F277 HydrophobicContact CD1-CD1 3.88Å; L244-F277 HydrophobicContact CD1-CD2 4.16Å; L244-F277 HydrophobicContact CD1-CE1 4.37Å; L244-F277 HydrophobicContact CD1-CG 3.76Å; L244-F277 HydrophobicContact CD2-CD2 4.2Å; L244-F277 HydrophobicContact CD2-CE2 4.27Å; L244-F277 HydrophobicContact CG-CD2 4.28Å; L244-F277 HydrophobicContact CG-CG 4.31Å |
| 245 | I | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -75.7 | 139.1 | -178.2 | 66.5 | 174.8 | 0 | 0 | 0 | 110.9 | F203 M205 M210 Q250 P251 F277 | F203-I245 HydrophobicContact CD1-CD1 4.14Å; F203-I245 PolarHBondContact O-N 2.92Å; M205-I245 HydrophobicContact CG-CG2 3.83Å; M205-I245 HydrophobicContact SD-CG2 3.95Å; M210-I245 HydrophobicContact CE-CG2 4.29Å; I245-Q250 VanDerWaalsContact CA-OE1 3.24Å; I245-P251 HydrophobicContact CD1-CG 4Å; I245-P251 HydrophobicContact CG2-CG 4.23Å; I245-F277 PolarHBondContact O-N 2.9Å | ||
| 246 | A | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -88.2 | -11 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | L223 F277 R278 | L223-A246 HydrophobicContact CD2-CB 3.91Å; A246-F277 WeakPolarHBondContact CA-O 3.27Å; A246-R278 HydrophobicContact CB-CG 4.04Å; A246-R278 PolarHBondContact O-NE 3.43Å; A246-R278 PolarHBondContact O-NH2 3.4Å |
| 247 | T | 97.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -168.4 | 147.1 | -177 | 173 | 0 | 0 | 0 | 0 | 109.6 | E249 Q250 P251 K299 E301 | T247-E249 HydrophobicContact CG2-CB 3.65Å; T247-E249 PolarHBondContact O-N 2.95Å; T247-E249 WeakPolarHBondContact OG1-CB 2.86Å; T247-E249 PolarHBondContact OG1-N 3.34Å; T247-Q250 HydrophobicContact CG2-CG 3.92Å; T247-Q250 PolarHBondContact O-N 3.1Å; T247-P251 WeakPolarHBondContact O-CD 3.33Å; T247-K299 PolarHBondContact OG1-NZ 2.84Å; T247-E301 PolarHBondContact OG1-OE1 3.38Å |
| 248 | S | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.6 | 170.8 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | Q250 P251 I252 S274 E301 | S248-Q250 PolarHBondContact O-N 2.72Å; S248-P251 VanDerWaalsContact O-CD 3.23Å; S248-P251 WeakPolarHBondContact O-CD 3.41Å; S248-P251 WeakPolarHBondContact O-CG 3.38Å; S248-I252 WeakPolarHBondContact O-CB 3.38Å; S248-I252 WeakPolarHBondContact O-CD1 3.27Å; S248-I252 WeakPolarHBondContact O-CG1 3.26Å; S248-I252 PolarHBondContact O-N 3.38Å; S248-S274 WeakPolarHBondContact CB-OG 3.33Å; S248-S274 PolarHBondContact N-OG 3.16Å; S248-E301 WeakPolarHBondContact OG-CB 3.12Å |
| 249 | E | 98 | Very high | 96.9 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -50.6 | -44.6 | 169 | -177.2 | -162.1 | 165.2 | 0 | 0 | 112.1 | T247 I252 A253 F303 Q378 N405 | T247-E249 HydrophobicContact CG2-CB 3.65Å; T247-E249 PolarHBondContact O-N 2.95Å; T247-E249 WeakPolarHBondContact OG1-CB 2.86Å; T247-E249 PolarHBondContact OG1-N 3.34Å; E249-I252 PolarHBondContact O-N 3.46Å; E249-A253 VanDerWaalsContact O-CB 3.22Å; E249-A253 WeakPolarHBondContact O-CB 3.23Å; E249-A253 PolarHBondContact O-N 2.97Å; E249-F303 HydrophobicContact CB-CD2 4.25Å; E249-F303 HydrophobicContact CB-CE2 4.39Å; E249-F303 HydrophobicContact CG-CD2 3.8Å; E249-F303 HydrophobicContact CG-CE2 3.53Å; E249-Q378 PolarHBondContact OE1-NE2 2.71Å; E249-N405 HydrophobicContact CB-CB 4.4Å; E249-N405 HydrophobicContact CG-CB 3.74Å; E249-N405 PolarHBondContact OE1-ND2 2.83Å |
| 250 | Q | 98 | Very high | 97.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -55.4 | -175.5 | -71.4 | 165.8 | -22.6 | 0 | 0 | 112.3 | M205 M210 V213 I245 T247 S248 A254 | M205-Q250 WeakPolarHBondContact CE-O 3.4Å; M205-Q250 HydrophobicContact SD-CB 3.62Å; M210-Q250 HydrophobicContact SD-CB 4.4Å; M210-Q250 HydrophobicContact SD-CG 4.21Å; V213-Q250 HydrophobicContact CG2-CB 3.87Å; V213-Q250 HydrophobicContact CG2-CG 3.98Å; I245-Q250 VanDerWaalsContact CA-OE1 3.24Å; T247-Q250 HydrophobicContact CG2-CG 3.92Å; T247-Q250 PolarHBondContact O-N 3.1Å; S248-Q250 PolarHBondContact O-N 2.72Å; Q250-A254 PolarHBondContact O-N 3.26Å |
| 251 | P | 98.5 | Very high | 97.4 | Very high | 14 Ų | 14 | 32 Ų | 32 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.4 | -31.9 | 176.9 | 25.7 | -34.5 | 0 | 0 | 0 | 113 | T201 M205 I245 T247 S248 A254 F255 | T201-P251 VanDerWaalsContact CB-CG 3.48Å; T201-P251 HydrophobicContact CG2-CB 4.21Å; T201-P251 HydrophobicContact CG2-CG 3.75Å; M205-P251 HydrophobicContact SD-CB 4.18Å; I245-P251 HydrophobicContact CD1-CG 4Å; I245-P251 HydrophobicContact CG2-CG 4.23Å; T247-P251 WeakPolarHBondContact O-CD 3.33Å; S248-P251 VanDerWaalsContact O-CD 3.23Å; S248-P251 WeakPolarHBondContact O-CD 3.41Å; S248-P251 WeakPolarHBondContact O-CG 3.38Å; P251-A254 PolarHBondContact O-N 2.89Å; P251-F255 PolarHBondContact O-N 3.18Å |
| 252 | I | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -42.6 | 178.4 | -64.1 | 166.4 | 0 | 0 | 0 | 111.1 | I199 T201 S248 E249 A254 F255 Y270 F303 F305 | I199-I252 HydrophobicContact CG2-CD1 3.71Å; I199-I252 HydrophobicContact CG2-CG1 4.01Å; T201-I252 HydrophobicContact CG2-CD1 4.17Å; T201-I252 HydrophobicContact CG2-CG1 3.7Å; S248-I252 WeakPolarHBondContact O-CB 3.38Å; S248-I252 WeakPolarHBondContact O-CD1 3.27Å; S248-I252 WeakPolarHBondContact O-CG1 3.26Å; S248-I252 PolarHBondContact O-N 3.38Å; E249-I252 PolarHBondContact O-N 3.46Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 3.43Å; I252-F255 WeakPolarHBondContact O-CB 3.41Å; I252-F255 PolarHBondContact O-N 3.22Å; I252-Y270 HydrophobicContact CG2-CD2 3.8Å; I252-Y270 HydrophobicContact CG2-CG 4.23Å; I252-F303 HydrophobicContact CB-CB 4.41Å; I252-F303 HydrophobicContact CB-CD2 4.38Å; I252-F303 HydrophobicContact CB-CG 4.19Å; I252-F303 HydrophobicContact CD1-CB 4.29Å; I252-F303 HydrophobicContact CG2-CB 3.78Å; I252-F303 HydrophobicContact CG2-CD1 3.59Å; I252-F303 HydrophobicContact CG2-CD2 4.24Å; I252-F303 HydrophobicContact CG2-CE1 4.26Å; I252-F303 HydrophobicContact CG2-CG 3.59Å; I252-F305 HydrophobicContact CG2-CE2 4.17Å |
| 253 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V213 E249 F255 F303 L382 | V213-A253 HydrophobicContact CG1-CB 4.03Å; E249-A253 VanDerWaalsContact O-CB 3.22Å; E249-A253 WeakPolarHBondContact O-CB 3.23Å; E249-A253 PolarHBondContact O-N 2.97Å; A253-F255 PolarHBondContact O-N 3.49Å; A253-F303 HydrophobicContact CB-CE2 3.92Å; A253-F303 HydrophobicContact CB-CZ 3.67Å; A253-L382 HydrophobicContact CB-CD1 3.81Å; A253-L382 WeakPolarHBondContact O-CD1 3.3Å |
| 254 | A | 98 | Very high | 97.1 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 13% | 0.132 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -9.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | M205 V209 V213 Q250 P251 I252 H256 R257 L382 | M205-A254 HydrophobicContact CE-CB 3.72Å; V209-A254 HydrophobicContact CG1-CB 3.62Å; V213-A254 HydrophobicContact CG1-CB 4.3Å; Q250-A254 PolarHBondContact O-N 3.26Å; P251-A254 PolarHBondContact O-N 2.89Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 3.43Å; A254-H256 VanDerWaalsContact C-N 3.34Å; A254-H256 PolarHBondContact O-N 2.85Å; A254-R257 WeakPolarHBondContact O-CB 3.13Å; A254-R257 PolarHBondContact O-N 2.88Å; A254-L382 HydrophobicContact CB-CD2 4.29Å |
| 255 | F | 98.2 | Very high | 96.9 | Very high | 112 Ų | 112 | 42.8 Ų | 42.8 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.8 | -40.6 | -176.7 | -173.9 | -117.6 | 0 | 0 | 0 | 112.2 | I199 P251 I252 A253 | I199-F255 HydrophobicContact CD1-CD1 4.46Å; I199-F255 HydrophobicContact CD1-CE1 4.4Å; I199-F255 HydrophobicContact CD1-CZ 4.44Å; P251-F255 PolarHBondContact O-N 3.18Å; I252-F255 WeakPolarHBondContact O-CB 3.41Å; I252-F255 PolarHBondContact O-N 3.22Å; A253-F255 PolarHBondContact O-N 3.49Å |
| 256 | H | 97.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 7% | 0.069 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 20.8 | 177.9 | -67.9 | -63.7 | 0 | 0 | 0 | 113.2 | A254 D258 E259 L261 Y270 F305 V384 | A254-H256 VanDerWaalsContact C-N 3.34Å; A254-H256 PolarHBondContact O-N 2.85Å; H256-D258 PolarHBondContact O-N 2.85Å; H256-E259 HydrophobicContact CB-CB 4.49Å; H256-E259 IonicContact CE1-OE2 3.49Å; H256-E259 IonicContact CG-OE2 3.55Å; H256-E259 IonicContact ND1-OE1 3.97Å; H256-E259 IonicContact ND1-OE2 3.56Å; H256-E259 PolarHBondContact ND1-OE2 2.88Å; H256-E259 VanDerWaalsContact O-CB 3.31Å; H256-E259 WeakPolarHBondContact O-CB 3.35Å; H256-E259 WeakPolarHBondContact O-CG 3.39Å; H256-E259 PolarHBondContact O-N 2.77Å; H256-E259 VanDerWaalsContact O-N 3.15Å; H256-L261 HydrophobicContact CB-CD2 4.36Å; H256-Y270 PolarHBondContact CE1-OH 3.39Å; H256-Y270 AromaticContact NE2-CE2 3.53Å; H256-Y270 AromaticContact NE2-CZ 3.59Å; H256-Y270 PolarHBondContact NE2-OH 3.32Å; H256-F305 HydrophobicContact CB-CE1 4.09Å; H256-F305 HydrophobicContact CB-CZ 4.41Å; H256-F305 AromaticContact CD2-CE1 3.82Å; H256-F305 AromaticContact CD2-CE2 3.74Å; H256-F305 AromaticContact CD2-CZ 3.52Å; H256-V384 HydrophobicContact CB-CG1 3.99Å; H256-V384 HydrophobicContact CB-CG2 4.41Å; H256-V384 WeakPolarHBondContact O-CG2 3.42Å |
| 257 | R | 97.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 26% | 0.26 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 136 | 179.4 | -179.1 | -177.7 | -177.2 | -116.1 | 5.8 | 110.3 | E212 A254 E259 L382 | E212-R257 IonicContact OE1-CZ 2.68Å; E212-R257 IonicContact OE1-NE 3.92Å; E212-R257 PolarHBondContact OE1-NE 2.95Å; E212-R257 IonicContact OE1-NH2 2.65Å; E212-R257 PolarHBondContact OE1-NH2 3.48Å; E212-R257 WeakPolarHBondContact OE2-CD 3.39Å; E212-R257 IonicContact OE2-CZ 2.72Å; E212-R257 IonicContact OE2-NE 3.71Å; E212-R257 PolarHBondContact OE2-NE 2.89Å; E212-R257 IonicContact OE2-NH2 3.7Å; A254-R257 WeakPolarHBondContact O-CB 3.13Å; A254-R257 PolarHBondContact O-N 2.88Å; R257-E259 PolarHBondContact O-N 2.68Å; R257-L382 WeakPolarHBondContact CA-O 3.47Å; R257-L382 HydrophobicContact CB-CD2 4.38Å; R257-L382 HydrophobicContact CG-CD2 4.24Å; R257-L382 WeakPolarHBondContact CG-O 3.43Å |
| 258 | D | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 8.9 | -177.6 | -73.7 | -56 | 0 | 0 | 0 | 116.7 | H256 L382 R383 | H256-D258 PolarHBondContact O-N 2.85Å; D258-L382 PolarHBondContact N-O 3.46Å; D258-R383 IonicContact OD1-CZ 3.53Å; D258-R383 IonicContact OD1-NE 3.87Å; D258-R383 PolarHBondContact OD1-NE 2.72Å; D258-R383 IonicContact OD1-NH2 2.74Å; D258-R383 PolarHBondContact OD1-NH2 3.35Å; D258-R383 IonicContact OD2-CZ 2.65Å; D258-R383 IonicContact OD2-NE 2.65Å; D258-R383 IonicContact OD2-NH2 3.72Å; D258-R383 PolarHBondContact OD2-NH2 2.97Å |
| 259 | E | 96.2 | Very high | 97 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | trans | -90.5 | 160.3 | -177.8 | -61.9 | -174.6 | -175 | 0 | 0 | 114.3 | H256 R257 L261 R385 | H256-E259 HydrophobicContact CB-CB 4.49Å; H256-E259 IonicContact CE1-OE2 3.49Å; H256-E259 IonicContact CG-OE2 3.55Å; H256-E259 IonicContact ND1-OE1 3.97Å; H256-E259 IonicContact ND1-OE2 3.56Å; H256-E259 PolarHBondContact ND1-OE2 2.88Å; H256-E259 VanDerWaalsContact O-CB 3.31Å; H256-E259 WeakPolarHBondContact O-CB 3.35Å; H256-E259 WeakPolarHBondContact O-CG 3.39Å; H256-E259 PolarHBondContact O-N 2.77Å; H256-E259 VanDerWaalsContact O-N 3.15Å; R257-E259 PolarHBondContact O-N 2.68Å; E259-L261 HydrophobicContact CB-CD2 4.39Å; E259-R385 PolarHBondContact O-N 3.16Å | ||
| 260 | W | 95.9 | Very high | 97 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 29% | 0.288 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.6 | 165.6 | -74 | 83.9 | 0 | 0 | 0 | 108 | P262 R385 T389 M392 V398 | W260-P262 WeakPolarHBondContact O-CD 3.36Å; W260-R385 HydrophobicContact CD2-CB 3.65Å; W260-R385 HydrophobicContact CD2-CG 4.36Å; W260-R385 HydrophobicContact CE3-CB 3.49Å; W260-R385 VanDerWaalsContact CE3-CB 3.49Å; W260-R385 HydrophobicContact CE3-CG 4.46Å; W260-R385 HydrophobicContact CG-CB 4.22Å; W260-R385 HydrophobicContact CH2-CB 4.23Å; W260-R385 HydrophobicContact CH2-CG 4.49Å; W260-R385 HydrophobicContact CZ2-CB 4.38Å; W260-R385 HydrophobicContact CZ2-CG 4.38Å; W260-R385 HydrophobicContact CZ3-CB 3.79Å; W260-T389 HydrophobicContact CD2-CG2 3.78Å; W260-T389 HydrophobicContact CE3-CG2 4.39Å; W260-T389 HydrophobicContact CG-CG2 4.2Å; W260-T389 HydrophobicContact CH2-CG2 4.17Å; W260-T389 HydrophobicContact CZ2-CG2 3.51Å; W260-M392 HydrophobicContact CH2-CE 3.62Å; W260-M392 HydrophobicContact CH2-SD 3.73Å; W260-M392 HydrophobicContact CZ3-CE 3.63Å; W260-M392 HydrophobicContact CZ3-SD 4.3Å; W260-V398 HydrophobicContact CH2-CG1 4.03Å; W260-V398 HydrophobicContact CH2-CG2 4.38Å; W260-V398 HydrophobicContact CZ3-CG1 4.49Å |
| 261 | L | 96.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.7 | -178.1 | -63.5 | -174.8 | 0 | 0 | 0 | 110.3 | H256 E259 L266 L268 F305 V384 R385 G387 V401 | H256-L261 HydrophobicContact CB-CD2 4.36Å; E259-L261 HydrophobicContact CB-CD2 4.39Å; L261-L266 HydrophobicContact CD1-CD2 4.3Å; L261-L268 HydrophobicContact CD1-CD1 4.03Å; L261-L268 HydrophobicContact CD2-CD1 4.26Å; L261-F305 HydrophobicContact CD1-CB 4.23Å; L261-F305 HydrophobicContact CD1-CD1 3.91Å; L261-F305 HydrophobicContact CD1-CG 4.28Å; L261-V384 HydrophobicContact CD1-CG1 3.62Å; L261-V384 HydrophobicContact CG-CG1 3.86Å; L261-R385 PolarHBondContact N-O 3.4Å; L261-G387 PolarHBondContact O-N 3.45Å; L261-V401 HydrophobicContact CB-CG1 4.18Å; L261-V401 HydrophobicContact CD1-CG1 4.08Å; L261-V401 HydrophobicContact CD1-CG2 4.27Å |
| 262 | P | 94.4 | Very high | 97.1 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | trans | -60.9 | 145.3 | 176.6 | -21.1 | 32.8 | 0 | 0 | 0 | 111.6 | W260 D264 C265 | W260-P262 WeakPolarHBondContact O-CD 3.36Å; P262-D264 VanDerWaalsContact C-N 3.26Å; P262-D264 PolarHBondContact O-N 3.02Å; P262-C265 PolarHBondContact O-N 2.65Å | ||
| 263 | K | 94.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 51.6 Ų | 51.6 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -57.3 | -41.3 | -178.2 | -57.9 | -170.9 | 177.1 | -169 | 0 | 112.1 | C265 L266 Y386 | K263-C265 PolarHBondContact O-N 3.17Å; K263-L266 PolarHBondContact O-N 3.18Å; K263-Y386 HydrophobicContact CB-CE2 4.45Å; K263-Y386 HydrophobicContact CD-CE1 4.14Å; K263-Y386 WeakPolarHBondContact CD-OH 3.44Å; K263-Y386 HydrophobicContact CG-CE1 4.2Å; K263-Y386 HydrophobicContact CG-CE2 3.98Å |
| 264 | D | 94.6 | Very high | 97.1 | Very high | 162 Ų | 162 | 51.7 Ų | 51.7 | 87% | 0.866 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -74.4 | -9.9 | -174.2 | -50.2 | -33.4 | 0 | 0 | 0 | 113.4 | P262 | P262-D264 VanDerWaalsContact C-N 3.26Å; P262-D264 PolarHBondContact O-N 3.02Å |
| 265 | C | 94.5 | Very high | 97.2 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -88.7 | -10.2 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | P262 K263 L268 | P262-C265 PolarHBondContact O-N 2.65Å; K263-C265 PolarHBondContact O-N 3.17Å; C265-L268 HydrophobicContact CB-CD2 4.33Å; C265-L268 VanDerWaalsContact O-CD2 3.26Å; C265-L268 WeakPolarHBondContact O-CD2 3.3Å |
| 266 | L | 97.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 143.6 | -175.3 | -63.3 | 170.1 | 0 | 0 | 0 | 111.1 | L261 K263 L268 F305 Y386 V401 | L261-L266 HydrophobicContact CD1-CD2 4.3Å; K263-L266 PolarHBondContact O-N 3.18Å; L266-L268 HydrophobicContact CD2-CG 4.34Å; L266-F305 HydrophobicContact CD2-CB 3.97Å; L266-F305 WeakPolarHBondContact CD2-O 3.44Å; L266-Y386 HydrophobicContact CD1-CD2 3.57Å; L266-Y386 HydrophobicContact CD1-CE2 3.65Å; L266-V401 HydrophobicContact CD1-CG1 4Å; L266-V401 HydrophobicContact CD2-CG1 4.46Å |
| 267 | P | 98 | Very high | 97.2 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | S | Bend | cis | -81.7 | 137.1 | 0.1 | 33 | -35.3 | 0 | 0 | 0 | 113.1 | F305 T306 M316 | P267-F305 CarbonylContact C-O 3.54Å; P267-F305 WeakPolarHBondContact CA-O 3.46Å; P267-F305 WeakPolarHBondContact CB-O 3.36Å; P267-T306 HydrophobicContact CB-CG2 4.02Å; P267-M316 HydrophobicContact CB-CE 3.73Å; P267-M316 HydrophobicContact CG-CE 3.73Å |
| 268 | L | 98.6 | Very high | 97.2 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 20% | 0.204 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133.2 | 167.3 | -63.5 | 172.2 | 0 | 0 | 0 | 108.5 | L261 C265 L266 Y270 C304 F305 | L261-L268 HydrophobicContact CD1-CD1 4.03Å; L261-L268 HydrophobicContact CD2-CD1 4.26Å; C265-L268 HydrophobicContact CB-CD2 4.33Å; C265-L268 VanDerWaalsContact O-CD2 3.26Å; C265-L268 WeakPolarHBondContact O-CD2 3.3Å; L266-L268 HydrophobicContact CD2-CG 4.34Å; L268-Y270 HydrophobicContact CB-CE2 4.31Å; L268-C304 CarbonylContact O-C 3.49Å; L268-C304 VanDerWaalsContact O-CA 3.25Å; L268-C304 WeakPolarHBondContact O-CA 3.26Å; L268-F305 HydrophobicContact CB-CB 4.15Å; L268-F305 HydrophobicContact CB-CD2 4.14Å; L268-F305 PolarHBondContact N-O 2.71Å; L268-F305 PolarHBondContact O-N 2.96Å |
| 269 | R | 98.7 | Very high | 97 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.3 | -176.5 | -62.2 | -175.4 | 177.3 | 85.2 | -3.7 | 110.1 | Y196 T197 E319 | Y196-R269 HydrophobicContact CD1-CB 3.69Å; Y196-R269 HydrophobicContact CD2-CB 4.19Å; Y196-R269 HydrophobicContact CE1-CB 3.89Å; Y196-R269 HydrophobicContact CE1-CG 4.41Å; Y196-R269 HydrophobicContact CE2-CB 4.38Å; Y196-R269 HydrophobicContact CG-CB 3.83Å; T197-R269 PolarHBondContact N-O 3.28Å; R269-E319 IonicContact CZ-OE1 3.87Å; R269-E319 IonicContact NE-OE1 2.99Å; R269-E319 PolarHBondContact NE-OE1 3.35Å; R269-E319 IonicContact NH2-OE1 2.96Å; R269-E319 PolarHBondContact NH2-OE1 2.85Å; R269-E319 IonicContact NH2-OE2 2.82Å |
| 270 | Y | 98.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.9 | 179.8 | -67.9 | -65.5 | 0 | 0 | 0 | 112 | Y196 T197 I199 I252 H256 L268 F303 F305 | Y196-Y270 WeakPolarHBondContact CD1-O 3.36Å; T197-Y270 HydrophobicContact CG2-CD1 4.37Å; T197-Y270 HydrophobicContact CG2-CE1 4.36Å; T197-Y270 CarbonylContact O-C 3.52Å; T197-Y270 WeakPolarHBondContact O-CA 3.49Å; I199-Y270 HydrophobicContact CB-CD1 4.25Å; I199-Y270 HydrophobicContact CD1-CD1 4.3Å; I199-Y270 HydrophobicContact CD1-CE1 4.39Å; I199-Y270 HydrophobicContact CG2-CD1 4.09Å; I199-Y270 HydrophobicContact CG2-CG 4.24Å; I252-Y270 HydrophobicContact CG2-CD2 3.8Å; I252-Y270 HydrophobicContact CG2-CG 4.23Å; H256-Y270 PolarHBondContact CE1-OH 3.39Å; H256-Y270 AromaticContact NE2-CE2 3.53Å; H256-Y270 AromaticContact NE2-CZ 3.59Å; H256-Y270 PolarHBondContact NE2-OH 3.32Å; L268-Y270 HydrophobicContact CB-CE2 4.31Å; Y270-F303 PolarHBondContact N-O 2.88Å; Y270-F303 PolarHBondContact O-N 2.98Å; Y270-F305 HydrophobicContact CD2-CD2 4.19Å; Y270-F305 AromaticContact CD2-CE2 3.81Å; Y270-F305 HydrophobicContact CD2-CE2 3.81Å; Y270-F305 HydrophobicContact CE2-CD2 4.05Å; Y270-F305 AromaticContact CE2-CE2 3.72Å; Y270-F305 HydrophobicContact CE2-CE2 3.72Å |
| 271 | A | 98.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 90.6 | 169 | 0 | 0 | 0 | 0 | 0 | 108.4 | L188 L191 T197 A198 I199 E301 | L188-A271 HydrophobicContact CD2-CB 4.32Å; L191-A271 HydrophobicContact CB-CB 3.94Å; L191-A271 HydrophobicContact CD1-CB 3.61Å; L191-A271 HydrophobicContact CG-CB 4.45Å; T197-A271 PolarHBondContact O-N 3.17Å; A198-A271 WeakPolarHBondContact CA-O 3.4Å; I199-A271 PolarHBondContact N-O 2.88Å; A271-E301 CarbonylContact C-O 3.57Å; A271-E301 VanDerWaalsContact CA-O 3.31Å; A271-E301 WeakPolarHBondContact CA-O 3.44Å |
| 272 | G | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 120.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I199 I300 E301 | I199-G272 WeakPolarHBondContact O-CA 3.4Å; G272-I300 CarbonylContact O-C 3.52Å; G272-I300 WeakPolarHBondContact O-CA 3.4Å; G272-E301 PolarHBondContact N-O 3.21Å; G272-E301 PolarHBondContact O-N 2.97Å |
| 273 | I | 98.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 23% | 0.226 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.1 | 171.9 | 176.8 | 166.7 | 0 | 0 | 0 | 110.2 | I184 L188 I199 Y200 I300 | I184-I273 HydrophobicContact CG2-CD1 3.72Å; L188-I273 HydrophobicContact CD1-CD1 4.13Å; I199-I273 WeakPolarHBondContact O-CG2 3.44Å; I199-I273 PolarHBondContact O-N 3.38Å; Y200-I273 HydrophobicContact CD2-CG2 4.14Å; I273-I300 HydrophobicContact CB-CD1 3.76Å; I273-I300 HydrophobicContact CD1-CD1 3.93Å; I273-I300 HydrophobicContact CG1-CD1 3.74Å |
| 274 | S | 98.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 153.5 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | S248 K299 | S248-S274 WeakPolarHBondContact CB-OG 3.33Å; S248-S274 PolarHBondContact N-OG 3.16Å; S274-K299 PolarHBondContact N-O 3.03Å; S274-K299 PolarHBondContact O-N 3.5Å |
| 275 | S | 98.7 | Very high | 90.9 | Very high | 18 Ų | 18 | 42.1 Ų | 42.1 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 130.8 | 156.5 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | F203 F277 E298 | F203-S275 VanDerWaalsContact CZ-N 3.29Å; S275-F277 WeakPolarHBondContact O-CE2 3.21Å; S275-E298 WeakPolarHBondContact CB-OE1 3.49Å; S275-E298 PolarHBondContact OG-OE1 3.01Å |
| 276 | C | 98.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.1 | -179 | -60.2 | 0 | 0 | 0 | 0 | 109.7 | Q296 F297 | C276-Q296 WeakPolarHBondContact O-CA 3.39Å; C276-F297 HydrophobicContact CB-CD1 4.48Å; C276-F297 HydrophobicContact CB-CD2 3.99Å; C276-F297 HydrophobicContact CB-CE1 4.06Å; C276-F297 HydrophobicContact CB-CE2 3.52Å; C276-F297 HydrophobicContact CB-CG 4.45Å; C276-F297 HydrophobicContact CB-CZ 3.55Å; C276-F297 WeakPolarHBondContact CB-O 3.43Å; C276-F297 PolarHBondContact N-O 3Å; C276-F297 PolarHBondContact O-N 2.9Å; C276-F297 VanDerWaalsContact O-N 3.11Å |
| 277 | F | 98.4 | Very high | 89.1 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.8 | -176.5 | -55.8 | -90.2 | 0 | 0 | 0 | 110.4 | F203 Y224 L244 I245 A246 S275 H295 Q296 | F203-F277 HydrophobicContact CB-CE2 4.1Å; F203-F277 HydrophobicContact CD2-CE2 4.15Å; F203-F277 HydrophobicContact CD2-CZ 4.44Å; F203-F277 HydrophobicContact CG-CE2 4.34Å; Y224-F277 HydrophobicContact CD2-CB 4Å; L244-F277 HydrophobicContact CB-CB 3.81Å; L244-F277 HydrophobicContact CB-CD2 3.84Å; L244-F277 HydrophobicContact CB-CG 3.93Å; L244-F277 HydrophobicContact CD1-CB 4.08Å; L244-F277 HydrophobicContact CD1-CD1 3.88Å; L244-F277 HydrophobicContact CD1-CD2 4.16Å; L244-F277 HydrophobicContact CD1-CE1 4.37Å; L244-F277 HydrophobicContact CD1-CG 3.76Å; L244-F277 HydrophobicContact CD2-CD2 4.2Å; L244-F277 HydrophobicContact CD2-CE2 4.27Å; L244-F277 HydrophobicContact CG-CD2 4.28Å; L244-F277 HydrophobicContact CG-CG 4.31Å; I245-F277 PolarHBondContact O-N 2.9Å; A246-F277 WeakPolarHBondContact CA-O 3.27Å; S275-F277 WeakPolarHBondContact O-CE2 3.21Å; F277-H295 CarbonylContact C-O 3.56Å; F277-H295 VanDerWaalsContact CA-O 3.22Å; F277-H295 WeakPolarHBondContact CA-O 3.33Å; F277-Q296 HydrophobicContact CD1-CB 4.37Å; F277-Q296 HydrophobicContact CD1-CG 4.33Å; F277-Q296 HydrophobicContact CE1-CB 4.39Å; F277-Q296 HydrophobicContact CE1-CG 3.92Å |
| 278 | R | 96.3 | Very high | 88.2 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | trans | -132.3 | 127 | -179.2 | -64.4 | -172.5 | -178.2 | -175.2 | -0.5 | 111.5 | Q222 Y224 A246 E280 H295 F297 | Q222-R278 CarbonylContact O-C 3.59Å; Q222-R278 WeakPolarHBondContact O-CA 3.34Å; Y224-R278 VanDerWaalsContact CE2-C 3.44Å; A246-R278 HydrophobicContact CB-CG 4.04Å; A246-R278 PolarHBondContact O-NE 3.43Å; A246-R278 PolarHBondContact O-NH2 3.4Å; R278-E280 HydrophobicContact CB-CG 4.02Å; R278-E280 WeakPolarHBondContact CD-OE1 3.12Å; R278-E280 PolarHBondContact O-N 2.89Å; R278-H295 PolarHBondContact N-O 3.17Å; R278-H295 WeakPolarHBondContact O-CA 3.47Å; R278-H295 PolarHBondContact O-ND1 3.31Å; R278-F297 HydrophobicContact CG-CE1 4.08Å; R278-F297 HydrophobicContact CG-CZ 4.35Å | ||
| 279 | Q | 93.3 | Very high | 87.6 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | trans | -68.6 | -23.3 | 176 | -69 | -174.7 | -32.6 | 0 | 0 | 112.9 | D220 Q222 L223 Y224 V281 H295 | D220-Q279 PolarHBondContact O-OE1 3.24Å; Q222-Q279 PolarHBondContact O-N 3.43Å; L223-Q279 PolarHBondContact O-NE2 2.86Å; Y224-Q279 HydrophobicContact CD1-CG 3.85Å; Y224-Q279 HydrophobicContact CD2-CG 3.72Å; Y224-Q279 HydrophobicContact CE1-CG 3.76Å; Y224-Q279 HydrophobicContact CE2-CB 4.29Å; Y224-Q279 HydrophobicContact CE2-CG 3.65Å; Y224-Q279 HydrophobicContact CG-CG 3.83Å; Q279-V281 HydrophobicContact CB-CG2 3.83Å; Q279-V281 PolarHBondContact O-N 2.83Å; Q279-H295 PolarHBondContact O-CE1 3.15Å; Q279-H295 PolarHBondContact O-ND1 2.84Å | ||
| 280 | E | 87.7 | Confident | 87.4 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | trans | 55.2 | 33.4 | 177 | -64.5 | -73.2 | 144.1 | 0 | 0 | 112.9 | R278 S283 R293 | R278-E280 HydrophobicContact CB-CG 4.02Å; R278-E280 WeakPolarHBondContact CD-OE1 3.12Å; R278-E280 PolarHBondContact O-N 2.89Å; E280-S283 PolarHBondContact O-N 2.72Å; E280-S283 PolarHBondContact O-OG 3.19Å; E280-R293 HydrophobicContact CG-CG 4.34Å; E280-R293 WeakPolarHBondContact OE2-CD 3.35Å; E280-R293 WeakPolarHBondContact OE2-CG 3.34Å; E280-R293 IonicContact OE2-CZ 3.04Å; E280-R293 IonicContact OE2-NE 3.44Å; E280-R293 IonicContact OE2-NH1 2.68Å; E280-R293 PolarHBondContact OE2-NH1 3.13Å | ||
| 281 | V | 77.5 | Confident | 87.3 | Confident | 70 Ų | 70 | 50.9 Ų | 50.9 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 144.4 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | D221 Q279 S283 | D221-V281 HydrophobicContact CB-CB 4.28Å; D221-V281 WeakPolarHBondContact O-CB 3.45Å; D221-V281 WeakPolarHBondContact O-CG2 3.46Å; D221-V281 PolarHBondContact O-N 3Å; Q279-V281 HydrophobicContact CB-CG2 3.83Å; Q279-V281 PolarHBondContact O-N 2.83Å; V281-S283 VanDerWaalsContact C-N 3.28Å; V281-S283 PolarHBondContact O-N 3.02Å |
| 282 | G | 75.1 | Confident | 87.2 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 70% | 0.701 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -12.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | H284 | G282-H284 VanDerWaalsContact C-N 3.32Å; G282-H284 PolarHBondContact O-N 3.07Å |
| 283 | S | 70.5 | Confident | 87 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | trans | -92 | 22.3 | 176.8 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | R168 E280 V281 G285 R286 | R168-S283 PolarHBondContact NH1-OG 3.17Å; R168-S283 PolarHBondContact NH2-O 2.99Å; R168-S283 PolarHBondContact NH2-OG 3.25Å; E280-S283 PolarHBondContact O-N 2.72Å; E280-S283 PolarHBondContact O-OG 3.19Å; V281-S283 VanDerWaalsContact C-N 3.28Å; V281-S283 PolarHBondContact O-N 3.02Å; S283-G285 PolarHBondContact O-N 3.24Å; S283-R286 PolarHBondContact O-N 2.98Å | ||
| 284 | H | 62.6 | Low | 86.9 | Confident | 167 Ų | 167 | 52 Ų | 52 | 77% | 0.773 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 123.2 | -173.4 | -74.3 | -68.1 | 0 | 0 | 0 | 111.9 | G282 R286 | G282-H284 VanDerWaalsContact C-N 3.32Å; G282-H284 PolarHBondContact O-N 3.07Å; H284-R286 VanDerWaalsContact C-N 3.3Å; H284-R286 PolarHBondContact O-N 3.34Å |
| 285 | G | 70.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -6.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S283 | S283-G285 PolarHBondContact O-N 3.24Š|
| 286 | R | 73.2 | Confident | 86.8 | Confident | 171 Ų | 171 | 57.2 Ų | 57.2 | 65% | 0.645 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -86.7 | 134.3 | 176 | -64 | -171.8 | -176.6 | 178.2 | 2.7 | 111.5 | R168 S283 H284 T288 | R168-R286 PolarHBondContact NH2-O 3.13Å; S283-R286 PolarHBondContact O-N 2.98Å; H284-R286 VanDerWaalsContact C-N 3.3Å; H284-R286 PolarHBondContact O-N 3.34Å; R286-T288 PolarHBondContact O-N 3.09Å; R286-T288 VanDerWaalsContact O-N 3.08Å |
| 287 | D | 78.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 44.5 | 41.9 | 175.2 | -55.6 | -62.9 | 0 | 0 | 0 | 113.6 | R289 F292 R293 | D287-R289 PolarHBondContact O-N 3.35Å; D287-F292 HydrophobicContact CB-CD1 4.41Å; D287-R293 HydrophobicContact CB-CB 3.84Å; D287-R293 IonicContact OD2-NE 3.46Å |
| 288 | T | 79.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 58 Ų | 58 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | trans | -74.3 | -6.6 | -174.2 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | R286 | R286-T288 PolarHBondContact O-N 3.09Å; R286-T288 VanDerWaalsContact O-N 3.08Å | ||
| 289 | R | 87.1 | Confident | 86.9 | Confident | 131 Ų | 131 | 55.4 Ų | 55.4 | 49% | 0.494 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -111.4 | 146.3 | 179.5 | -66.1 | -177.1 | 62.5 | -161.5 | -7.3 | 111.3 | V147 D148 D287 | V147-R289 HydrophobicContact CG1-CB 3.78Å; V147-R289 VanDerWaalsContact CG1-NH2 3.33Å; V147-R289 HydrophobicContact CG2-CB 4.09Å; D148-R289 IonicContact OD1-NH2 2.9Å; D287-R289 PolarHBondContact O-N 3.35Å |
| 290 | G | 93.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 74.5 | -157 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 291 | I | 96.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -113.5 | 10.6 | -171.4 | 63.6 | 174.3 | 0 | 0 | 0 | 114 | Y156 Y170 L172 V294 T412 I415 C416 | Y156-I291 HydrophobicContact CD1-CD1 4.2Å; Y156-I291 HydrophobicContact CD1-CG1 4.34Å; Y156-I291 HydrophobicContact CD1-CG2 3.78Å; Y156-I291 HydrophobicContact CE1-CG1 4.37Å; Y156-I291 HydrophobicContact CE1-CG2 4.19Å; Y156-I291 HydrophobicContact CG-CG2 3.98Å; Y170-I291 HydrophobicContact CD2-CG2 3.75Å; Y170-I291 HydrophobicContact CE2-CG2 4.27Å; Y170-I291 HydrophobicContact CG-CG2 3.91Å; L172-I291 HydrophobicContact CD1-CD1 4Å; I291-V294 HydrophobicContact CB-CG1 4.38Å; I291-T412 VanDerWaalsContact O-CB 3.28Å; I291-T412 WeakPolarHBondContact O-CB 3.25Å; I291-T412 PolarHBondContact O-OG1 3.05Å; I291-I415 HydrophobicContact CD1-CG2 4.14Å; I291-C416 VanDerWaalsContact CG1-SG 3.59Å |
| 292 | F | 96.8 | Very high | 88.7 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -71.5 | -39.8 | -176.1 | -173.9 | -91.6 | 0 | 0 | 0 | 113.6 | D287 F359 R366 L368 R413 C416 | D287-F292 HydrophobicContact CB-CD1 4.41Å; F292-F359 HydrophobicContact CD2-CE1 4.3Å; F292-F359 HydrophobicContact CD2-CZ 4.22Å; F292-F359 HydrophobicContact CE2-CE1 4.3Å; F292-F359 HydrophobicContact CE2-CE2 4.47Å; F292-F359 AromaticContact CE2-CZ 3.83Å; F292-F359 HydrophobicContact CE2-CZ 3.83Å; F292-R366 HydrophobicContact CE2-CB 3.92Å; F292-R366 HydrophobicContact CE2-CG 4.32Å; F292-R366 HydrophobicContact CZ-CB 3.67Å; F292-R366 HydrophobicContact CZ-CG 4.09Å; F292-L368 HydrophobicContact CE2-CD2 4.26Å; F292-R413 HydrophobicContact CD2-CB 4.13Å; F292-R413 HydrophobicContact CD2-CG 3.9Å; F292-R413 HydrophobicContact CE2-CB 3.95Å; F292-R413 HydrophobicContact CE2-CG 3.82Å; F292-R413 HydrophobicContact CG-CG 4.4Å; F292-R413 HydrophobicContact CZ-CG 4.23Å; F292-R413 WeakPolarHBondContact O-CG 3.31Å; F292-R413 PolarHBondContact O-NE 3.08Å; F292-C416 HydrophobicContact CD2-CB 4.22Å |
| 293 | R | 94.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 21% | 0.208 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -125.8 | 100 | 175.3 | -175.4 | -178 | -68.4 | -103.3 | 1.8 | 109.4 | E280 D287 | E280-R293 HydrophobicContact CG-CG 4.34Å; E280-R293 WeakPolarHBondContact OE2-CD 3.35Å; E280-R293 WeakPolarHBondContact OE2-CG 3.34Å; E280-R293 IonicContact OE2-CZ 3.04Å; E280-R293 IonicContact OE2-NE 3.44Å; E280-R293 IonicContact OE2-NH1 2.68Å; E280-R293 PolarHBondContact OE2-NH1 3.13Å; D287-R293 HydrophobicContact CB-CB 3.84Å; D287-R293 IonicContact OD2-NE 3.46Å |
| 294 | V | 95.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | trans | -132.6 | 161.9 | -173.2 | -71.3 | 0 | 0 | 0 | 0 | 110.4 | Y170 I291 Q296 F297 T412 | Y170-V294 HydrophobicContact CD1-CB 4.01Å; Y170-V294 HydrophobicContact CD1-CG1 3.69Å; Y170-V294 HydrophobicContact CE1-CB 3.76Å; Y170-V294 HydrophobicContact CE1-CG1 3.86Å; Y170-V294 HydrophobicContact CE1-CG2 3.83Å; I291-V294 HydrophobicContact CB-CG1 4.38Å; V294-Q296 WeakPolarHBondContact CG2-O 3.41Å; V294-F297 HydrophobicContact CG2-CB 4.15Å; V294-F297 HydrophobicContact CG2-CD1 4.41Å; V294-T412 HydrophobicContact CG2-CG2 4.49Å | ||
| 295 | H | 96.7 | Very high | 92.9 | Very high | 39 Ų | 39 | 37 Ų | 37 | 18% | 0.181 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -77 | -26.3 | -179.1 | -67.2 | -55.2 | 0 | 0 | 0 | 113.9 | A167 Y224 F277 R278 Q279 | A167-H295 PolarHBondContact O-CD2 3.07Å; A167-H295 PolarHBondContact O-NE2 3.27Å; Y224-H295 HydrophobicContact CE2-CB 4.4Å; Y224-H295 PolarHBondContact OH-ND1 3.44Å; Y224-H295 VanDerWaalsContact OH-ND1 3.14Å; F277-H295 CarbonylContact C-O 3.56Å; F277-H295 VanDerWaalsContact CA-O 3.22Å; F277-H295 WeakPolarHBondContact CA-O 3.33Å; R278-H295 PolarHBondContact N-O 3.17Å; R278-H295 WeakPolarHBondContact O-CA 3.47Å; R278-H295 PolarHBondContact O-ND1 3.31Å; Q279-H295 PolarHBondContact O-CE1 3.15Å; Q279-H295 PolarHBondContact O-ND1 2.84Å |
| 296 | Q | 98.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 34 Ų | 34 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.8 | 178.7 | 179 | -174.9 | -37.7 | 0 | 0 | 108.8 | Y170 C276 F277 V294 | Y170-Q296 WeakPolarHBondContact CE1-O 3.4Å; Y170-Q296 PolarHBondContact OH-O 3.16Å; Y170-Q296 VanDerWaalsContact OH-O 3.04Å; C276-Q296 WeakPolarHBondContact O-CA 3.39Å; F277-Q296 HydrophobicContact CD1-CB 4.37Å; F277-Q296 HydrophobicContact CD1-CG 4.33Å; F277-Q296 HydrophobicContact CE1-CB 4.39Å; F277-Q296 HydrophobicContact CE1-CG 3.92Å; V294-Q296 WeakPolarHBondContact CG2-O 3.41Å |
| 297 | F | 98.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 27 Ų | 27 | 8% | 0.083 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 150.6 | 173 | 56.4 | -86.3 | 0 | 0 | 0 | 111.2 | C276 R278 V294 K299 T412 | C276-F297 HydrophobicContact CB-CD1 4.48Å; C276-F297 HydrophobicContact CB-CD2 3.99Å; C276-F297 HydrophobicContact CB-CE1 4.06Å; C276-F297 HydrophobicContact CB-CE2 3.52Å; C276-F297 HydrophobicContact CB-CG 4.45Å; C276-F297 HydrophobicContact CB-CZ 3.55Å; C276-F297 WeakPolarHBondContact CB-O 3.43Å; C276-F297 PolarHBondContact N-O 3Å; C276-F297 PolarHBondContact O-N 2.9Å; C276-F297 VanDerWaalsContact O-N 3.11Å; R278-F297 HydrophobicContact CG-CE1 4.08Å; R278-F297 HydrophobicContact CG-CZ 4.35Å; V294-F297 HydrophobicContact CG2-CB 4.15Å; V294-F297 HydrophobicContact CG2-CD1 4.41Å; F297-K299 HydrophobicContact CD2-CB 4.45Å; F297-K299 HydrophobicContact CE2-CB 4.36Å; F297-K299 HydrophobicContact CE2-CD 4.34Å; F297-T412 HydrophobicContact CB-CG2 3.99Å |
| 298 | E | 98.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 14% | 0.14 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.7 | 176.3 | -75.6 | 55.8 | -134.9 | 0 | 0 | 110.4 | I184 S275 T411 | I184-E298 HydrophobicContact CD1-CB 4.35Å; I184-E298 HydrophobicContact CD1-CG 4.44Å; S275-E298 WeakPolarHBondContact CB-OE1 3.49Å; S275-E298 PolarHBondContact OG-OE1 3.01Å; E298-T411 HydrophobicContact CB-CG2 3.8Å; E298-T411 PolarHBondContact O-N 3.16Å; E298-T411 PolarHBondContact O-OG1 3.2Å |
| 299 | K | 98.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.1 | 179.1 | -166 | 170.8 | 63.3 | 142.3 | 0 | 111.7 | T247 S274 F297 E301 T407 C409 A410 | T247-K299 PolarHBondContact OG1-NZ 2.84Å; S274-K299 PolarHBondContact N-O 3.03Å; S274-K299 PolarHBondContact O-N 3.5Å; F297-K299 HydrophobicContact CD2-CB 4.45Å; F297-K299 HydrophobicContact CE2-CB 4.36Å; F297-K299 HydrophobicContact CE2-CD 4.34Å; K299-E301 WeakPolarHBondContact CD-OE2 3.3Å; K299-E301 WeakPolarHBondContact CE-OE2 3.03Å; K299-E301 IonicContact NZ-OE1 3.82Å; K299-E301 PolarHBondContact NZ-OE1 2.84Å; K299-E301 IonicContact NZ-OE2 3.62Å; K299-E301 PolarHBondContact NZ-OE2 3.41Å; K299-T407 HydrophobicContact CD-CG2 3.87Å; K299-T407 HydrophobicContact CG-CG2 4.01Å; K299-C409 CarbonylContact C-O 3.37Å; K299-C409 WeakPolarHBondContact CA-O 3.4Å; K299-A410 HydrophobicContact CG-CB 4.45Å |
| 300 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.4 | 164.4 | -51.1 | -55.9 | 0 | 0 | 0 | 107.8 | I184 A187 L188 L191 G272 I273 M408 C409 | I184-I300 HydrophobicContact CG2-CD1 4.2Å; A187-I300 HydrophobicContact CB-CB 4.03Å; A187-I300 HydrophobicContact CB-CG1 3.89Å; A187-I300 HydrophobicContact CB-CG2 4.03Å; L188-I300 HydrophobicContact CD2-CD1 4.2Å; L188-I300 HydrophobicContact CD2-CG2 4.23Å; L188-I300 HydrophobicContact CG-CD1 4.17Å; L191-I300 HydrophobicContact CD1-CG2 3.88Å; G272-I300 CarbonylContact O-C 3.52Å; G272-I300 WeakPolarHBondContact O-CA 3.4Å; I273-I300 HydrophobicContact CB-CD1 3.76Å; I273-I300 HydrophobicContact CD1-CD1 3.93Å; I273-I300 HydrophobicContact CG1-CD1 3.74Å; I300-M408 HydrophobicContact CB-CB 4.29Å; I300-M408 HydrophobicContact CG2-CB 4.12Å; I300-M408 WeakPolarHBondContact O-CA 3.36Å; I300-M408 WeakPolarHBondContact O-CB 3.28Å; I300-M408 PolarHBondContact O-N 2.95Å; I300-C409 HydrophobicContact CB-CB 4.41Å; I300-C409 PolarHBondContact N-O 3.37Å; I300-C409 PolarHBondContact O-N 3.18Å; I300-C409 VanDerWaalsContact O-N 3.16Å |
| 301 | E | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 136.9 | -174.1 | -163.1 | 80.3 | 156.5 | 0 | 0 | 110.9 | T247 S248 A271 G272 K299 T407 | T247-E301 PolarHBondContact OG1-OE1 3.38Å; S248-E301 WeakPolarHBondContact OG-CB 3.12Å; A271-E301 CarbonylContact C-O 3.57Å; A271-E301 VanDerWaalsContact CA-O 3.31Å; A271-E301 WeakPolarHBondContact CA-O 3.44Å; G272-E301 PolarHBondContact N-O 3.21Å; G272-E301 PolarHBondContact O-N 2.97Å; K299-E301 WeakPolarHBondContact CD-OE2 3.3Å; K299-E301 WeakPolarHBondContact CE-OE2 3.03Å; K299-E301 IonicContact NZ-OE1 3.82Å; K299-E301 PolarHBondContact NZ-OE1 2.84Å; K299-E301 IonicContact NZ-OE2 3.62Å; K299-E301 PolarHBondContact NZ-OE2 3.41Å; E301-T407 VanDerWaalsContact OE2-CA 3.27Å; E301-T407 WeakPolarHBondContact OE2-CA 3.49Å; E301-T407 PolarHBondContact OE2-OG1 3.41Å |
| 302 | Q | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.2 | 164.2 | -58.4 | 177.6 | 84.1 | 0 | 0 | 108.3 | L191 Y196 M320 N323 N405 G406 M408 | L191-Q302 HydrophobicContact CD1-CG 3.9Å; L191-Q302 HydrophobicContact CD2-CG 3.7Å; L191-Q302 HydrophobicContact CG-CG 4.48Å; Y196-Q302 HydrophobicContact CE1-CB 3.89Å; Y196-Q302 HydrophobicContact CE1-CG 4.09Å; Y196-Q302 PolarHBondContact OH-OE1 2.87Å; Q302-M320 HydrophobicContact CB-CE 3.71Å; Q302-M320 PolarHBondContact NE2-O 3.49Å; Q302-M320 WeakPolarHBondContact O-CE 3.5Å; Q302-N323 VanDerWaalsContact OE1-CB 3.3Å; Q302-N323 PolarHBondContact OE1-ND2 2.91Å; Q302-N405 CarbonylContact O-C 3.55Å; Q302-N405 WeakPolarHBondContact O-CA 3.3Å; Q302-G406 WeakPolarHBondContact CA-O 3.46Å; Q302-G406 WeakPolarHBondContact CB-O 3.02Å; Q302-G406 PolarHBondContact N-O 3.03Å; Q302-G406 PolarHBondContact O-N 2.83Å; Q302-M408 HydrophobicContact CG-CB 4.25Å |
| 303 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 126.9 | 171.2 | -164.7 | -73.8 | 0 | 0 | 0 | 110.1 | E249 I252 A253 Y270 F305 M403 L404 N405 | E249-F303 HydrophobicContact CB-CD2 4.25Å; E249-F303 HydrophobicContact CB-CE2 4.39Å; E249-F303 HydrophobicContact CG-CD2 3.8Å; E249-F303 HydrophobicContact CG-CE2 3.53Å; I252-F303 HydrophobicContact CB-CB 4.41Å; I252-F303 HydrophobicContact CB-CD2 4.38Å; I252-F303 HydrophobicContact CB-CG 4.19Å; I252-F303 HydrophobicContact CD1-CB 4.29Å; I252-F303 HydrophobicContact CG2-CB 3.78Å; I252-F303 HydrophobicContact CG2-CD1 3.59Å; I252-F303 HydrophobicContact CG2-CD2 4.24Å; I252-F303 HydrophobicContact CG2-CE1 4.26Å; I252-F303 HydrophobicContact CG2-CG 3.59Å; A253-F303 HydrophobicContact CB-CE2 3.92Å; A253-F303 HydrophobicContact CB-CZ 3.67Å; Y270-F303 PolarHBondContact N-O 2.88Å; Y270-F303 PolarHBondContact O-N 2.98Å; F303-F305 AromaticContact CD1-CD2 3.9Å; F303-F305 HydrophobicContact CD1-CD2 3.9Å; F303-F305 AromaticContact CD1-CE2 3.39Å; F303-F305 HydrophobicContact CD1-CE2 3.39Å; F303-F305 AromaticContact CD1-CZ 3.93Å; F303-F305 HydrophobicContact CD1-CZ 3.93Å; F303-F305 HydrophobicContact CE1-CD1 4.46Å; F303-F305 AromaticContact CE1-CD2 3.88Å; F303-F305 HydrophobicContact CE1-CD2 3.88Å; F303-F305 HydrophobicContact CE1-CE1 4.02Å; F303-F305 AromaticContact CE1-CE2 3.32Å; F303-F305 HydrophobicContact CE1-CE2 3.32Å; F303-F305 HydrophobicContact CE1-CG 4.4Å; F303-F305 AromaticContact CE1-CZ 3.38Å; F303-F305 HydrophobicContact CE1-CZ 3.38Å; F303-F305 HydrophobicContact CZ-CZ 4.31Å; F303-M403 HydrophobicContact CE1-CB 4.26Å; F303-M403 HydrophobicContact CE1-CG 4.31Å; F303-M403 HydrophobicContact CZ-CB 4.01Å; F303-M403 HydrophobicContact CZ-CG 4.27Å; F303-M403 HydrophobicContact CZ-SD 4.16Å; F303-L404 CarbonylContact C-O 3.53Å; F303-L404 WeakPolarHBondContact CA-O 3.44Å; F303-N405 HydrophobicContact CD2-CB 3.98Å; F303-N405 HydrophobicContact CE2-CB 4.29Å |
| 304 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.3 | -173.4 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | L268 T306 M316 M320 M403 L404 | L268-C304 CarbonylContact O-C 3.49Å; L268-C304 VanDerWaalsContact O-CA 3.25Å; L268-C304 WeakPolarHBondContact O-CA 3.26Å; C304-T306 HydrophobicContact CB-CG2 4.4Å; C304-M316 HydrophobicContact CB-CG 3.76Å; C304-M316 HydrophobicContact CB-SD 3.96Å; C304-M316 VanDerWaalsContact SG-SD 3.62Å; C304-M320 HydrophobicContact CB-SD 4.03Å; C304-M403 WeakPolarHBondContact O-CA 3.29Å; C304-L404 HydrophobicContact CB-CB 4.43Å; C304-L404 PolarHBondContact N-O 2.87Å; C304-L404 PolarHBondContact O-N 2.99Å |
| 305 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.9 | 167.4 | -57.7 | -110.2 | 0 | 0 | 0 | 107.4 | I252 H256 L261 L266 P267 L268 Y270 F303 V384 V401 H402 M403 | I252-F305 HydrophobicContact CG2-CE2 4.17Å; H256-F305 HydrophobicContact CB-CE1 4.09Å; H256-F305 HydrophobicContact CB-CZ 4.41Å; H256-F305 AromaticContact CD2-CE1 3.82Å; H256-F305 AromaticContact CD2-CE2 3.74Å; H256-F305 AromaticContact CD2-CZ 3.52Å; L261-F305 HydrophobicContact CD1-CB 4.23Å; L261-F305 HydrophobicContact CD1-CD1 3.91Å; L261-F305 HydrophobicContact CD1-CG 4.28Å; L266-F305 HydrophobicContact CD2-CB 3.97Å; L266-F305 WeakPolarHBondContact CD2-O 3.44Å; P267-F305 CarbonylContact C-O 3.54Å; P267-F305 WeakPolarHBondContact CA-O 3.46Å; P267-F305 WeakPolarHBondContact CB-O 3.36Å; L268-F305 HydrophobicContact CB-CB 4.15Å; L268-F305 HydrophobicContact CB-CD2 4.14Å; L268-F305 PolarHBondContact N-O 2.71Å; L268-F305 PolarHBondContact O-N 2.96Å; Y270-F305 HydrophobicContact CD2-CD2 4.19Å; Y270-F305 AromaticContact CD2-CE2 3.81Å; Y270-F305 HydrophobicContact CD2-CE2 3.81Å; Y270-F305 HydrophobicContact CE2-CD2 4.05Å; Y270-F305 AromaticContact CE2-CE2 3.72Å; Y270-F305 HydrophobicContact CE2-CE2 3.72Å; F303-F305 AromaticContact CD1-CD2 3.9Å; F303-F305 HydrophobicContact CD1-CD2 3.9Å; F303-F305 AromaticContact CD1-CE2 3.39Å; F303-F305 HydrophobicContact CD1-CE2 3.39Å; F303-F305 AromaticContact CD1-CZ 3.93Å; F303-F305 HydrophobicContact CD1-CZ 3.93Å; F303-F305 HydrophobicContact CE1-CD1 4.46Å; F303-F305 AromaticContact CE1-CD2 3.88Å; F303-F305 HydrophobicContact CE1-CD2 3.88Å; F303-F305 HydrophobicContact CE1-CE1 4.02Å; F303-F305 AromaticContact CE1-CE2 3.32Å; F303-F305 HydrophobicContact CE1-CE2 3.32Å; F303-F305 HydrophobicContact CE1-CG 4.4Å; F303-F305 AromaticContact CE1-CZ 3.38Å; F303-F305 HydrophobicContact CE1-CZ 3.38Å; F303-F305 HydrophobicContact CZ-CZ 4.31Å; F305-V384 HydrophobicContact CD1-CG1 4.38Å; F305-V384 HydrophobicContact CE1-CG1 4.4Å; F305-V401 HydrophobicContact CD1-CG2 4.02Å; F305-H402 CarbonylContact C-O 3.58Å; F305-H402 WeakPolarHBondContact CA-O 3.45Å; F305-M403 HydrophobicContact CD1-CE 3.74Å; F305-M403 HydrophobicContact CD1-CG 4.08Å; F305-M403 HydrophobicContact CE1-CE 3.35Å; F305-M403 HydrophobicContact CE1-CG 4.24Å; F305-M403 HydrophobicContact CE1-SD 4.17Å; F305-M403 HydrophobicContact CZ-CE 4.4Å |
| 306 | T | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 163.5 | -173.1 | 61 | 0 | 0 | 0 | 0 | 111.4 | P267 C304 S313 M316 V401 H402 L404 | P267-T306 HydrophobicContact CB-CG2 4.02Å; C304-T306 HydrophobicContact CB-CG2 4.4Å; T306-S313 WeakPolarHBondContact OG1-CB 3.49Å; T306-M316 HydrophobicContact CG2-CB 3.82Å; T306-M316 HydrophobicContact CG2-CE 4.17Å; T306-M316 HydrophobicContact CG2-CG 3.75Å; T306-V401 WeakPolarHBondContact O-CB 3.28Å; T306-H402 PolarHBondContact N-O 3Å; T306-H402 PolarHBondContact O-N 2.95Å; T306-H402 VanDerWaalsContact OG1-CB 3.27Å; T306-H402 WeakPolarHBondContact OG1-CB 3.11Å; T306-H402 PolarHBondContact OG1-O 3.28Å; T306-L404 HydrophobicContact CG2-CD1 3.75Å |
| 307 | S | 97.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | trans | -62.4 | 139.3 | 169.6 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | H309 Y386 | S307-H309 PolarHBondContact O-N 3.24Å; S307-H309 PolarHBondContact OG-N 3.46Å; S307-Y386 PolarHBondContact OG-OH 3.1Å | ||
| 308 | P | 96.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 17% | 0.169 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -73.9 | -9.4 | 172.9 | 32.3 | -35.8 | 0 | 0 | 0 | 113 | Y386 F400 | P308-Y386 VanDerWaalsContact CD-CD2 3.47Å; P308-Y386 HydrophobicContact CG-CD1 4.06Å; P308-Y386 HydrophobicContact CG-CD2 4.3Å; P308-Y386 HydrophobicContact CG-CG 3.94Å; P308-F400 WeakPolarHBondContact CB-O 3.06Å; P308-F400 WeakPolarHBondContact CG-O 3.42Å |
| 309 | H | 96.1 | Very high | 98.1 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -92 | 155 | -175.1 | -54.7 | -54.2 | 0 | 0 | 0 | 113.5 | S307 Y386 E399 | S307-H309 PolarHBondContact O-N 3.24Å; S307-H309 PolarHBondContact OG-N 3.46Å; H309-Y386 AromaticContact CD2-CE1 3.54Å; H309-Y386 AromaticContact CD2-CZ 3.67Å; H309-Y386 PolarHBondContact CD2-OH 3.27Å; H309-Y386 AromaticContact NE2-CD1 3.99Å; H309-Y386 AromaticContact NE2-CE1 3.17Å; H309-Y386 WeakPolarHBondContact NE2-CE1 3.47Å; H309-Y386 AromaticContact NE2-CZ 3.81Å; H309-E399 VanDerWaalsContact CE1-CD 3.5Å; H309-E399 IonicContact CE1-OE1 3.84Å; H309-E399 PolarHBondContact CE1-OE1 3.32Å; H309-E399 IonicContact CE1-OE2 2.71Å; H309-E399 PolarHBondContact CE1-OE2 3.04Å; H309-E399 VanDerWaalsContact CE1-OE2 3.24Å; H309-E399 IonicContact ND1-OE1 2.67Å; H309-E399 IonicContact NE2-OE2 3.66Å |
| 310 | G | 94.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 30.2 Ų | 30.2 | 81% | 0.814 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | -141.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 311 | N | 96.4 | Very high | 98 | Very high | 85 Ų | 85 | 30.3 Ų | 30.3 | 46% | 0.455 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 10 | 178.1 | -150 | 49.8 | 0 | 0 | 0 | 113.1 | S313 W314 D315 | N311-S313 VanDerWaalsContact C-N 3.34Å; N311-S313 PolarHBondContact O-N 3.17Å; N311-S313 VanDerWaalsContact O-N 3.15Å; N311-W314 WeakPolarHBondContact O-CA 3.48Å; N311-W314 PolarHBondContact O-N 3.04Å; N311-W314 WeakPolarHBondContact OD1-CB 3.4Å; N311-W314 VanDerWaalsContact OD1-CD1 3.27Å; N311-D315 PolarHBondContact ND2-OD1 2.89Å; N311-D315 PolarHBondContact O-N 2.84Å |
| 312 | A | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 31.3 Ų | 31.3 | 31% | 0.306 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.3 | -43.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114 | M316 | A312-M316 WeakPolarHBondContact O-CB 3.36Å; A312-M316 PolarHBondContact O-N 3.28Å |
| 313 | S | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.5 | -33.3 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 113 | T306 N311 M316 L317 N373 H402 L404 | T306-S313 WeakPolarHBondContact OG1-CB 3.49Å; N311-S313 VanDerWaalsContact C-N 3.34Å; N311-S313 PolarHBondContact O-N 3.17Å; N311-S313 VanDerWaalsContact O-N 3.15Å; S313-M316 PolarHBondContact O-N 3.27Å; S313-L317 PolarHBondContact O-N 3.43Å; S313-N373 PolarHBondContact OG-ND2 3.43Å; S313-H402 VanDerWaalsContact CB-ND1 3.34Å; S313-H402 WeakPolarHBondContact CB-ND1 3.33Å; S313-H402 PolarHBondContact OG-ND1 3.29Å; S313-L404 WeakPolarHBondContact O-CD2 3.47Å |
| 314 | W | 98.4 | Very high | 98 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.5 | -39.7 | -179.6 | -59.6 | 113.2 | 0 | 0 | 0 | 111.4 | H116 N311 M316 L317 D318 A350 K351 N373 T375 | H116-W314 HydrophobicContact CB-CH2 3.67Å; H116-W314 HydrophobicContact CB-CZ2 4.4Å; H116-W314 HydrophobicContact CB-CZ3 4.03Å; H116-W314 AromaticContact CD2-CE2 3.79Å; H116-W314 AromaticContact CD2-CH2 3.49Å; H116-W314 VanDerWaalsContact CD2-CH2 3.49Å; H116-W314 WeakPolarHBondContact CD2-CH2 3.46Å; H116-W314 AromaticContact CD2-CZ2 3.5Å; H116-W314 VanDerWaalsContact CD2-CZ2 3.5Å; H116-W314 WeakPolarHBondContact CD2-CZ2 3.43Å; H116-W314 AromaticContact CD2-CZ3 3.76Å; H116-W314 AromaticContact CG-CH2 3.77Å; H116-W314 AromaticContact CG-CZ3 3.9Å; N311-W314 WeakPolarHBondContact O-CA 3.48Å; N311-W314 PolarHBondContact O-N 3.04Å; N311-W314 WeakPolarHBondContact OD1-CB 3.4Å; N311-W314 VanDerWaalsContact OD1-CD1 3.27Å; W314-M316 VanDerWaalsContact C-N 3.26Å; W314-M316 PolarHBondContact O-N 3.18Å; W314-L317 HydrophobicContact CE3-CD2 4.29Å; W314-L317 HydrophobicContact CZ3-CD2 4.41Å; W314-L317 WeakPolarHBondContact O-CB 3.33Å; W314-L317 PolarHBondContact O-N 2.78Å; W314-D318 PolarHBondContact O-N 3.13Å; W314-A350 HydrophobicContact CH2-CB 3.86Å; W314-K351 HydrophobicContact CH2-CB 4.46Å; W314-K351 HydrophobicContact CZ3-CB 3.84Å; W314-K351 HydrophobicContact CZ3-CD 4.35Å; W314-N373 HydrophobicContact CE3-CB 4.3Å; W314-N373 HydrophobicContact CH2-CB 4.45Å; W314-N373 HydrophobicContact CZ3-CB 3.89Å; W314-N373 WeakPolarHBondContact CZ3-ND2 3.31Å; W314-T375 HydrophobicContact CH2-CG2 4.43Å; W314-T375 HydrophobicContact CZ2-CG2 4.2Å |
| 315 | D | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 32.3 Ų | 32.3 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 170.8 | -59.8 | -26.6 | 0 | 0 | 0 | 110.4 | N311 D318 E319 | N311-D315 PolarHBondContact ND2-OD1 2.89Å; N311-D315 PolarHBondContact O-N 2.84Å; D315-D318 PolarHBondContact O-N 3.11Å; D315-E319 PolarHBondContact O-N 2.88Å |
| 316 | M | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 174.9 | -176.2 | 62.7 | 60.8 | 0 | 0 | 113 | P267 C304 T306 A312 S313 W314 D318 E319 M320 L404 | P267-M316 HydrophobicContact CB-CE 3.73Å; P267-M316 HydrophobicContact CG-CE 3.73Å; C304-M316 HydrophobicContact CB-CG 3.76Å; C304-M316 HydrophobicContact CB-SD 3.96Å; C304-M316 VanDerWaalsContact SG-SD 3.62Å; T306-M316 HydrophobicContact CG2-CB 3.82Å; T306-M316 HydrophobicContact CG2-CE 4.17Å; T306-M316 HydrophobicContact CG2-CG 3.75Å; A312-M316 WeakPolarHBondContact O-CB 3.36Å; A312-M316 PolarHBondContact O-N 3.28Å; S313-M316 PolarHBondContact O-N 3.27Å; W314-M316 VanDerWaalsContact C-N 3.26Å; W314-M316 PolarHBondContact O-N 3.18Å; M316-D318 VanDerWaalsContact C-N 3.31Å; M316-D318 PolarHBondContact O-N 2.66Å; M316-E319 PolarHBondContact O-N 2.94Å; M316-E319 HydrophobicContact SD-CB 4.44Å; M316-M320 HydrophobicContact CG-CG 4.19Å; M316-M320 HydrophobicContact CG-SD 3.88Å; M316-M320 WeakPolarHBondContact O-CB 3.36Å; M316-M320 WeakPolarHBondContact O-CG 3.4Å; M316-M320 PolarHBondContact O-N 2.96Å; M316-M320 HydrophobicContact SD-CG 4.1Å; M316-M320 HydrophobicContact SD-SD 4.41Å; M316-L404 HydrophobicContact CB-CD1 4.41Å; M316-L404 HydrophobicContact CB-CD2 4.34Å; M316-L404 HydrophobicContact CG-CD1 4.22Å; M316-L404 HydrophobicContact CG-CD2 4.36Å |
| 317 | L | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.7 | 177.4 | 63.8 | 0 | 0 | 0 | 111 | S313 W314 M321 K351 L353 C371 N373 L404 | S313-L317 PolarHBondContact O-N 3.43Å; W314-L317 HydrophobicContact CE3-CD2 4.29Å; W314-L317 HydrophobicContact CZ3-CD2 4.41Å; W314-L317 WeakPolarHBondContact O-CB 3.33Å; W314-L317 PolarHBondContact O-N 2.78Å; L317-M321 PolarHBondContact O-N 3.4Å; L317-K351 HydrophobicContact CD2-CB 4.28Å; L317-K351 HydrophobicContact CD2-CD 3.92Å; L317-K351 HydrophobicContact CD2-CG 4.17Å; L317-L353 HydrophobicContact CG-CD1 4.41Å; L317-C371 HydrophobicContact CD1-CB 4.01Å; L317-N373 HydrophobicContact CB-CB 4.42Å; L317-N373 HydrophobicContact CD1-CB 4.46Å; L317-N373 HydrophobicContact CD2-CB 4.1Å; L317-L404 HydrophobicContact CB-CD2 3.79Å |
| 318 | D | 98.2 | Very high | 98 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 40% | 0.401 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 177.2 | -72.2 | -23 | 0 | 0 | 0 | 111.5 | W314 D315 M316 G322 | W314-D318 PolarHBondContact O-N 3.13Å; D315-D318 PolarHBondContact O-N 3.11Å; M316-D318 VanDerWaalsContact C-N 3.31Å; M316-D318 PolarHBondContact O-N 2.66Å; D318-G322 PolarHBondContact O-N 3.45Å |
| 319 | E | 98.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 33% | 0.332 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 172.1 | -176.6 | -178.6 | 130.8 | 0 | 0 | 111.3 | R269 D315 M316 M321 G322 N323 | R269-E319 IonicContact CZ-OE1 3.87Å; R269-E319 IonicContact NE-OE1 2.99Å; R269-E319 PolarHBondContact NE-OE1 3.35Å; R269-E319 IonicContact NH2-OE1 2.96Å; R269-E319 PolarHBondContact NH2-OE1 2.85Å; R269-E319 IonicContact NH2-OE2 2.82Å; D315-E319 PolarHBondContact O-N 2.88Å; M316-E319 PolarHBondContact O-N 2.94Å; M316-E319 HydrophobicContact SD-CB 4.44Å; E319-M321 PolarHBondContact O-N 2.77Å; E319-G322 PolarHBondContact O-N 3.39Å; E319-N323 PolarHBondContact O-N 3.35Å; E319-N323 PolarHBondContact O-ND2 3.25Å; E319-N323 PolarHBondContact O-OD1 3.49Å |
| 320 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | -179.4 | -72 | 170.7 | 70 | 0 | 0 | 112.3 | Q302 C304 M316 N323 A324 L404 | Q302-M320 HydrophobicContact CB-CE 3.71Å; Q302-M320 PolarHBondContact NE2-O 3.49Å; Q302-M320 WeakPolarHBondContact O-CE 3.5Å; C304-M320 HydrophobicContact CB-SD 4.03Å; M316-M320 HydrophobicContact CG-CG 4.19Å; M316-M320 HydrophobicContact CG-SD 3.88Å; M316-M320 WeakPolarHBondContact O-CB 3.36Å; M316-M320 WeakPolarHBondContact O-CG 3.4Å; M316-M320 PolarHBondContact O-N 2.96Å; M316-M320 HydrophobicContact SD-CG 4.1Å; M316-M320 HydrophobicContact SD-SD 4.41Å; M320-N323 PolarHBondContact O-N 2.59Å; M320-A324 PolarHBondContact O-N 2.78Å; M320-L404 HydrophobicContact CE-CB 4.09Å; M320-L404 HydrophobicContact SD-CB 3.56Å; M320-L404 VanDerWaalsContact SD-CB 3.56Å; M320-L404 HydrophobicContact SD-CD2 4.26Å; M320-L404 HydrophobicContact SD-CG 4.49Å |
| 321 | M | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 173.5 | -173.8 | 51 | 67.3 | 0 | 0 | 111 | L317 E319 N323 A324 E325 V337 L353 L355 V369 C371 | L317-M321 PolarHBondContact O-N 3.4Å; E319-M321 PolarHBondContact O-N 2.77Å; M321-N323 VanDerWaalsContact C-N 3.3Å; M321-N323 PolarHBondContact O-N 3.32Å; M321-A324 WeakPolarHBondContact O-CB 3.39Å; M321-A324 PolarHBondContact O-N 2.97Å; M321-A324 VanDerWaalsContact O-N 3.15Å; M321-A324 HydrophobicContact SD-CB 4.47Å; M321-E325 HydrophobicContact CG-CG 4.43Å; M321-E325 WeakPolarHBondContact O-CG 3.47Å; M321-E325 PolarHBondContact O-N 3.31Å; M321-E325 HydrophobicContact SD-CG 4.48Å; M321-V337 HydrophobicContact CG-CG1 4.27Å; M321-V337 HydrophobicContact SD-CG1 4.33Å; M321-V337 HydrophobicContact SD-CG2 4.36Å; M321-L353 HydrophobicContact CB-CD1 4.38Å; M321-L353 HydrophobicContact CE-CB 3.46Å; M321-L353 VanDerWaalsContact CE-CB 3.46Å; M321-L353 WeakPolarHBondContact CE-O 3.22Å; M321-L353 HydrophobicContact CG-CD1 4.3Å; M321-L355 HydrophobicContact SD-CB 4.47Å; M321-V369 HydrophobicContact CE-CG1 4.27Å; M321-C371 HydrophobicContact CE-CB 3.57Å; M321-C371 VanDerWaalsContact CE-SG 3.52Å |
| 322 | G | 98.5 | Very high | 98.5 | Very high | 25 Ų | 25 | 35 Ų | 35 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.6 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D318 E319 E325 E326 | D318-G322 PolarHBondContact O-N 3.45Å; E319-G322 PolarHBondContact O-N 3.39Å; G322-E325 PolarHBondContact O-N 2.93Å; G322-E326 WeakPolarHBondContact O-CB 3.38Å; G322-E326 PolarHBondContact O-N 3.44Å |
| 323 | N | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 174.6 | -64.3 | -22.5 | 0 | 0 | 0 | 112.1 | L191 K194 Y196 Q302 E319 M320 M321 F327 | L191-N323 HydrophobicContact CD2-CB 4.49Å; K194-N323 HydrophobicContact CD-CB 4.33Å; K194-N323 VanDerWaalsContact CD-OD1 3.24Å; K194-N323 WeakPolarHBondContact CD-OD1 3.36Å; K194-N323 VanDerWaalsContact CE-OD1 3.29Å; K194-N323 WeakPolarHBondContact CE-OD1 3.44Å; K194-N323 PolarHBondContact NZ-OD1 3.41Å; Y196-N323 PolarHBondContact OH-ND2 3.21Å; Q302-N323 VanDerWaalsContact OE1-CB 3.3Å; Q302-N323 PolarHBondContact OE1-ND2 2.91Å; E319-N323 PolarHBondContact O-N 3.35Å; E319-N323 PolarHBondContact O-ND2 3.25Å; E319-N323 PolarHBondContact O-OD1 3.49Å; M320-N323 PolarHBondContact O-N 2.59Å; M321-N323 VanDerWaalsContact C-N 3.3Å; M321-N323 PolarHBondContact O-N 3.32Å; N323-F327 PolarHBondContact O-N 3.08Å; N323-F327 VanDerWaalsContact O-N 3.13Å |
| 324 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M320 M321 E326 F327 Y328 V369 | M320-A324 PolarHBondContact O-N 2.78Å; M321-A324 WeakPolarHBondContact O-CB 3.39Å; M321-A324 PolarHBondContact O-N 2.97Å; M321-A324 VanDerWaalsContact O-N 3.15Å; M321-A324 HydrophobicContact SD-CB 4.47Å; A324-E326 PolarHBondContact O-N 3.47Å; A324-F327 WeakPolarHBondContact O-CB 3.44Å; A324-F327 PolarHBondContact O-N 3.38Å; A324-F327 VanDerWaalsContact O-N 3.09Å; A324-Y328 WeakPolarHBondContact O-CD2 3.32Å; A324-Y328 PolarHBondContact O-N 2.98Å; A324-Y328 VanDerWaalsContact O-N 3.07Å; A324-V369 HydrophobicContact CB-CG1 4.06Å; A324-V369 HydrophobicContact CB-CG2 4.19Å |
| 325 | E | 98.7 | Very high | 98.5 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52 | -51.1 | 175.3 | -74.2 | -167.1 | -95.7 | 0 | 0 | 111.8 | R133 M321 G322 F327 Y328 Q329 Y335 V337 L355 | R133-E325 IonicContact CZ-OE1 2.64Å; R133-E325 IonicContact NH1-OE1 2.7Å; R133-E325 PolarHBondContact NH1-OE1 3.22Å; M321-E325 HydrophobicContact CG-CG 4.43Å; M321-E325 WeakPolarHBondContact O-CG 3.47Å; M321-E325 PolarHBondContact O-N 3.31Å; M321-E325 HydrophobicContact SD-CG 4.48Å; G322-E325 PolarHBondContact O-N 2.93Å; E325-F327 VanDerWaalsContact C-N 3.29Å; E325-F327 PolarHBondContact O-N 3.36Å; E325-Y328 PolarHBondContact O-N 2.84Å; E325-Y328 VanDerWaalsContact O-N 3.17Å; E325-Q329 WeakPolarHBondContact O-CG 3.35Å; E325-Q329 PolarHBondContact O-N 2.91Å; E325-Y335 VanDerWaalsContact CB-OH 3.27Å; E325-Y335 WeakPolarHBondContact CB-OH 3.37Å; E325-Y335 HydrophobicContact CG-CE2 3.86Å; E325-Y335 WeakPolarHBondContact CG-OH 3.46Å; E325-Y335 WeakPolarHBondContact OE2-CE2 3.42Å; E325-Y335 PolarHBondContact OE2-OH 3.05Å; E325-V337 HydrophobicContact CG-CG2 4.06Å; E325-L355 HydrophobicContact CG-CD1 4.09Å |
| 326 | E | 98.3 | Very high | 98.5 | Very high | 81 Ų | 81 | 29.7 Ų | 29.7 | 38% | 0.379 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.8 | -40.9 | 177.2 | -174.1 | -178.7 | 164.9 | 0 | 0 | 112.1 | K194 G322 A324 Q329 L330 | K194-E326 WeakPolarHBondContact CE-OE2 3.16Å; K194-E326 IonicContact NZ-OE2 2.95Å; K194-E326 PolarHBondContact NZ-OE2 3.19Å; G322-E326 WeakPolarHBondContact O-CB 3.38Å; G322-E326 PolarHBondContact O-N 3.44Å; A324-E326 PolarHBondContact O-N 3.47Å; E326-Q329 PolarHBondContact O-N 3.09Å; E326-L330 VanDerWaalsContact O-CG 3.3Å; E326-L330 WeakPolarHBondContact O-CG 3.48Å; E326-L330 PolarHBondContact O-N 3.42Å |
| 327 | F | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.4 | 179.3 | -101.4 | 0 | 0 | 0 | 113 | L183 L186 A187 N323 A324 E325 Q329 L330 L331 M408 C409 | L183-F327 HydrophobicContact CD2-CZ 4.16Å; L186-F327 HydrophobicContact CB-CE2 4.18Å; L186-F327 HydrophobicContact CD2-CD2 4.33Å; L186-F327 HydrophobicContact CD2-CE2 3.8Å; L186-F327 HydrophobicContact CG-CD2 4.3Å; L186-F327 HydrophobicContact CG-CE2 3.8Å; A187-F327 HydrophobicContact CB-CD2 4.44Å; A187-F327 HydrophobicContact CB-CE2 3.75Å; A187-F327 HydrophobicContact CB-CZ 4.06Å; N323-F327 PolarHBondContact O-N 3.08Å; N323-F327 VanDerWaalsContact O-N 3.13Å; A324-F327 WeakPolarHBondContact O-CB 3.44Å; A324-F327 PolarHBondContact O-N 3.38Å; A324-F327 VanDerWaalsContact O-N 3.09Å; E325-F327 VanDerWaalsContact C-N 3.29Å; E325-F327 PolarHBondContact O-N 3.36Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-L330 PolarHBondContact O-N 2.92Å; F327-L331 HydrophobicContact CD1-CD1 4.03Å; F327-L331 HydrophobicContact CE1-CD1 3.49Å; F327-L331 VanDerWaalsContact CE1-CD1 3.49Å; F327-L331 HydrophobicContact CE2-CD1 4.47Å; F327-L331 HydrophobicContact CZ-CD1 3.76Å; F327-L331 WeakPolarHBondContact O-CG 3.42Å; F327-L331 PolarHBondContact O-N 2.94Å; F327-L331 VanDerWaalsContact O-N 3.13Å; F327-M408 HydrophobicContact CB-CE 3.46Å; F327-M408 VanDerWaalsContact CB-CE 3.46Å; F327-M408 HydrophobicContact CB-SD 4.01Å; F327-M408 WeakPolarHBondContact CD1-O 3.38Å; F327-M408 HydrophobicContact CD2-CE 3.84Å; F327-M408 HydrophobicContact CG-CE 3.82Å; F327-M408 HydrophobicContact CG-SD 4.34Å; F327-C409 HydrophobicContact CE1-CB 3.77Å; F327-C409 HydrophobicContact CZ-CB 3.85Å |
| 328 | Y | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.7 | -29 | 177.2 | -71.2 | -77.4 | 0 | 0 | 0 | 112.7 | A324 E325 L331 E332 I333 L355 L368 V369 V414 | A324-Y328 WeakPolarHBondContact O-CD2 3.32Å; A324-Y328 PolarHBondContact O-N 2.98Å; A324-Y328 VanDerWaalsContact O-N 3.07Å; E325-Y328 PolarHBondContact O-N 2.84Å; E325-Y328 VanDerWaalsContact O-N 3.17Å; Y328-L331 CarbonylContact O-C 3.37Å; Y328-L331 PolarHBondContact O-N 3.35Å; Y328-E332 PolarHBondContact O-N 3.19Å; Y328-E332 VanDerWaalsContact O-N 3.08Å; Y328-I333 HydrophobicContact CD1-CB 4.27Å; Y328-I333 HydrophobicContact CD1-CD1 4.16Å; Y328-I333 HydrophobicContact CD1-CG2 4.45Å; Y328-I333 PolarHBondContact O-N 3.27Å; Y328-L355 HydrophobicContact CD1-CD2 4.42Å; Y328-L355 HydrophobicContact CD2-CD1 3.64Å; Y328-L355 HydrophobicContact CD2-CD2 3.84Å; Y328-L355 HydrophobicContact CD2-CG 4.38Å; Y328-L355 HydrophobicContact CE2-CD1 4.34Å; Y328-L355 HydrophobicContact CE2-CD2 4.2Å; Y328-L355 HydrophobicContact CG-CD1 4.25Å; Y328-L355 HydrophobicContact CG-CD2 4Å; Y328-L368 HydrophobicContact CD1-CD1 4.07Å; Y328-L368 HydrophobicContact CE1-CB 4.08Å; Y328-L368 HydrophobicContact CE1-CD1 3.39Å; Y328-L368 HydrophobicContact CE1-CG 4.39Å; Y328-L368 WeakPolarHBondContact OH-CB 3.36Å; Y328-V369 HydrophobicContact CD2-CG2 4.39Å; Y328-V369 HydrophobicContact CE2-CG2 3.35Å; Y328-V369 WeakPolarHBondContact OH-CG2 3.04Å; Y328-V414 HydrophobicContact CE1-CG1 4.39Å; Y328-V414 HydrophobicContact CE1-CG2 3.88Å; Y328-V414 WeakPolarHBondContact OH-CG2 3.23Å |
| 329 | Q | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 26.1 Ų | 26.1 | 34% | 0.341 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.3 | -41.3 | 170.8 | -67.4 | 174.8 | 12.5 | 0 | 0 | 111.7 | W135 E325 E326 F327 L331 E332 Y335 | W135-Q329 HydrophobicContact CD2-CG 3.77Å; W135-Q329 HydrophobicContact CE3-CG 4.31Å; W135-Q329 HydrophobicContact CG-CG 4.05Å; W135-Q329 HydrophobicContact CZ2-CB 4.13Å; W135-Q329 HydrophobicContact CZ2-CG 4.04Å; E325-Q329 WeakPolarHBondContact O-CG 3.35Å; E325-Q329 PolarHBondContact O-N 2.91Å; E326-Q329 PolarHBondContact O-N 3.09Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; Q329-L331 PolarHBondContact O-N 2.94Å; Q329-E332 WeakPolarHBondContact O-CA 3.28Å; Q329-E332 PolarHBondContact O-N 3.34Å; Q329-Y335 HydrophobicContact CG-CE1 4.03Å; Q329-Y335 PolarHBondContact NE2-OH 3.13Å |
| 330 | L | 97.8 | Very high | 98.1 | Very high | 76 Ų | 76 | 22.9 Ų | 22.9 | 40% | 0.398 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.8 | -32.2 | 173.5 | -73.9 | 172.2 | 0 | 0 | 0 | 112.7 | E326 F327 E332 A433 | E326-L330 VanDerWaalsContact O-CG 3.3Å; E326-L330 WeakPolarHBondContact O-CG 3.48Å; E326-L330 PolarHBondContact O-N 3.42Å; F327-L330 PolarHBondContact O-N 2.92Å; L330-E332 VanDerWaalsContact C-N 3.28Å; L330-A433 HydrophobicContact CB-CB 4.41Å; L330-A433 WeakPolarHBondContact O-CB 3.2Å |
| 331 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.9 | 173.1 | -65.1 | 177.9 | 0 | 0 | 0 | 113.1 | L183 L186 F327 Y328 Q329 I333 V414 Y422 P431 L434 | L183-L331 HydrophobicContact CD2-CD1 3.9Å; L183-L331 HydrophobicContact CD2-CD2 4.24Å; L186-L331 HydrophobicContact CD2-CD2 3.73Å; L186-L331 HydrophobicContact CD2-CG 4.35Å; F327-L331 HydrophobicContact CD1-CD1 4.03Å; F327-L331 HydrophobicContact CE1-CD1 3.49Å; F327-L331 VanDerWaalsContact CE1-CD1 3.49Å; F327-L331 HydrophobicContact CE2-CD1 4.47Å; F327-L331 HydrophobicContact CZ-CD1 3.76Å; F327-L331 WeakPolarHBondContact O-CG 3.42Å; F327-L331 PolarHBondContact O-N 2.94Å; F327-L331 VanDerWaalsContact O-N 3.13Å; Y328-L331 CarbonylContact O-C 3.37Å; Y328-L331 PolarHBondContact O-N 3.35Å; Q329-L331 PolarHBondContact O-N 2.94Å; L331-I333 HydrophobicContact CB-CD1 3.9Å; L331-I333 HydrophobicContact CB-CG1 3.91Å; L331-I333 HydrophobicContact CD1-CD1 4.09Å; L331-I333 PolarHBondContact O-N 3.47Å; L331-V414 HydrophobicContact CD1-CG1 3.78Å; L331-Y422 VanDerWaalsContact O-CE2 3.28Å; L331-Y422 WeakPolarHBondContact O-CE2 3.19Å; L331-Y422 PolarHBondContact O-OH 3.45Å; L331-P431 HydrophobicContact CD2-CB 4.24Å; L331-L434 HydrophobicContact CD2-CD1 3.73Å; L331-L434 HydrophobicContact CD2-CD2 4.01Å; L331-L434 HydrophobicContact CD2-CG 3.71Å |
| 332 | E | 98.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 22.9 Ų | 22.9 | 58% | 0.575 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.4 | -173.5 | -44 | -179.6 | 124.4 | 0 | 0 | 114.1 | W135 Y328 Q329 L330 P334 Y422 | W135-E332 HydrophobicContact CH2-CB 4.26Å; Y328-E332 PolarHBondContact O-N 3.19Å; Y328-E332 VanDerWaalsContact O-N 3.08Å; Q329-E332 WeakPolarHBondContact O-CA 3.28Å; Q329-E332 PolarHBondContact O-N 3.34Å; L330-E332 VanDerWaalsContact C-N 3.28Å; E332-P334 WeakPolarHBondContact O-CD 3.18Å; E332-Y422 WeakPolarHBondContact CB-OH 3.37Å; E332-Y422 PolarHBondContact OE2-OH 2.93Å |
| 333 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -92.1 | 118.8 | 178.7 | -63.5 | 176.4 | 0 | 0 | 0 | 109.3 | Y328 L331 Y335 A357 V414 A417 I418 | Y328-I333 HydrophobicContact CD1-CB 4.27Å; Y328-I333 HydrophobicContact CD1-CD1 4.16Å; Y328-I333 HydrophobicContact CD1-CG2 4.45Å; Y328-I333 PolarHBondContact O-N 3.27Å; L331-I333 HydrophobicContact CB-CD1 3.9Å; L331-I333 HydrophobicContact CB-CG1 3.91Å; L331-I333 HydrophobicContact CD1-CD1 4.09Å; L331-I333 PolarHBondContact O-N 3.47Å; I333-Y335 WeakPolarHBondContact O-CD1 3.33Å; I333-A357 HydrophobicContact CG2-CB 3.7Å; I333-V414 HydrophobicContact CD1-CG1 4.24Å; I333-A417 HydrophobicContact CD1-CB 3.98Å; I333-A417 HydrophobicContact CG2-CB 4.24Å; I333-I418 HydrophobicContact CD1-CG1 3.92Å | ||
| 334 | P | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 27 Ų | 27 | 7% | 0.071 | 13% | 0.133 | C | C | . | . | trans | -63.7 | 139.1 | 176.8 | 20 | -27.2 | 0 | 0 | 0 | 111.9 | W135 L138 E332 A357 W358 N421 | W135-P334 WeakPolarHBondContact O-CA 3.41Å; L138-P334 HydrophobicContact CD2-CB 3.75Å; E332-P334 WeakPolarHBondContact O-CD 3.18Å; P334-A357 CarbonylContact O-C 3.54Å; P334-A357 WeakPolarHBondContact O-CA 3.32Å; P334-W358 HydrophobicContact CB-CB 4.08Å; P334-W358 HydrophobicContact CG-CB 4.03Å; P334-W358 PolarHBondContact O-N 3.13Å; P334-N421 WeakPolarHBondContact CD-OD1 3.43Å; P334-N421 WeakPolarHBondContact CG-OD1 3.3Å | ||
| 335 | Y | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 169.4 | -177.7 | 69.1 | -97.9 | 0 | 0 | 0 | 114.3 | T134 W135 E325 Q329 I333 V337 L355 E356 | T134-Y335 WeakPolarHBondContact CA-O 3.49Å; W135-Y335 HydrophobicContact CB-CD1 4.1Å; W135-Y335 HydrophobicContact CB-CE1 3.58Å; W135-Y335 HydrophobicContact CB-CE2 4.02Å; W135-Y335 HydrophobicContact CD2-CE1 4.17Å; W135-Y335 HydrophobicContact CE3-CD1 4.23Å; W135-Y335 HydrophobicContact CE3-CE1 4.08Å; W135-Y335 AromaticContact CG-CE1 3.98Å; W135-Y335 HydrophobicContact CG-CE1 3.98Å; W135-Y335 PolarHBondContact N-O 3.28Å; W135-Y335 PolarHBondContact O-N 2.93Å; E325-Y335 VanDerWaalsContact CB-OH 3.27Å; E325-Y335 WeakPolarHBondContact CB-OH 3.37Å; E325-Y335 HydrophobicContact CG-CE2 3.86Å; E325-Y335 WeakPolarHBondContact CG-OH 3.46Å; E325-Y335 WeakPolarHBondContact OE2-CE2 3.42Å; E325-Y335 PolarHBondContact OE2-OH 3.05Å; Q329-Y335 HydrophobicContact CG-CE1 4.03Å; Q329-Y335 PolarHBondContact NE2-OH 3.13Å; I333-Y335 WeakPolarHBondContact O-CD1 3.33Å; Y335-V337 HydrophobicContact CD2-CG2 4.08Å; Y335-V337 HydrophobicContact CE2-CG2 3.8Å; Y335-L355 HydrophobicContact CD1-CD1 4.14Å; Y335-L355 HydrophobicContact CD1-CD2 4.31Å; Y335-L355 HydrophobicContact CD1-CG 4.43Å; Y335-L355 HydrophobicContact CD2-CD1 3.7Å; Y335-L355 HydrophobicContact CD2-CD2 4.19Å; Y335-L355 HydrophobicContact CD2-CG 3.61Å; Y335-L355 HydrophobicContact CE1-CD1 4.3Å; Y335-L355 HydrophobicContact CE2-CD1 3.89Å; Y335-L355 HydrophobicContact CE2-CG 4.28Å; Y335-L355 HydrophobicContact CG-CD1 3.86Å; Y335-L355 HydrophobicContact CG-CD2 3.76Å; Y335-L355 HydrophobicContact CG-CG 3.73Å; Y335-E356 CarbonylContact C-O 3.59Å; Y335-E356 WeakPolarHBondContact CA-O 3.35Å; Y335-E356 WeakPolarHBondContact CB-O 2.75Å |
| 336 | R | 97.9 | Very high | 96.7 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 21% | 0.208 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146.1 | 162.7 | 67.7 | -178.1 | -174.3 | -178.4 | 0 | 110.6 | V131 R133 T134 V338 E356 F365 | V131-R336 HydrophobicContact CG1-CB 4.1Å; R133-R336 CarbonylContact O-C 3.55Å; R133-R336 WeakPolarHBondContact O-CA 3.24Å; T134-R336 HydrophobicContact CG2-CB 4.02Å; R336-V338 HydrophobicContact CG-CG1 4.1Å; R336-E356 HydrophobicContact CG-CB 4.09Å; R336-E356 IonicContact CZ-OE2 3.83Å; R336-E356 PolarHBondContact N-O 3.44Å; R336-E356 IonicContact NE-OE2 3.27Å; R336-E356 PolarHBondContact NE-OE2 3.21Å; R336-E356 IonicContact NH2-OE2 3.24Å; R336-E356 PolarHBondContact NH2-OE2 3.14Å; R336-E356 PolarHBondContact O-N 3Å; R336-F365 HydrophobicContact CB-CE1 4.14Å; R336-F365 HydrophobicContact CG-CD1 3.7Å; R336-F365 HydrophobicContact CG-CE1 3.73Å; R336-F365 HydrophobicContact CG-CG 4.25Å; R336-F365 HydrophobicContact CG-CZ 4.34Å; R336-F365 VanDerWaalsContact CZ-CD2 3.48Å |
| 337 | V | 98 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.7 | 169.2 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | V131 V132 R133 M321 E325 Y335 L353 D354 | V131-V337 CarbonylContact C-O 3.53Å; V132-V337 HydrophobicContact CB-CG1 4.42Å; V132-V337 PolarHBondContact N-O 3.16Å; R133-V337 HydrophobicContact CB-CB 4.26Å; R133-V337 HydrophobicContact CB-CG2 4.37Å; R133-V337 PolarHBondContact N-O 3.04Å; R133-V337 PolarHBondContact O-N 2.86Å; M321-V337 HydrophobicContact CG-CG1 4.27Å; M321-V337 HydrophobicContact SD-CG1 4.33Å; M321-V337 HydrophobicContact SD-CG2 4.36Å; E325-V337 HydrophobicContact CG-CG2 4.06Å; Y335-V337 HydrophobicContact CD2-CG2 4.08Å; Y335-V337 HydrophobicContact CE2-CG2 3.8Å; V337-L353 HydrophobicContact CG1-CB 4.38Å; V337-D354 CarbonylContact C-O 3.48Å; V337-D354 VanDerWaalsContact CA-O 3.28Å; V337-D354 WeakPolarHBondContact CA-O 3.1Å |
| 338 | V | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.6 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | I130 V131 R336 I340 L353 D354 E356 | I130-V338 WeakPolarHBondContact O-CA 3.33Å; V131-V338 HydrophobicContact CG2-CG1 4.18Å; R336-V338 HydrophobicContact CG-CG1 4.1Å; V338-I340 HydrophobicContact CG2-CD1 4.01Å; V338-L353 WeakPolarHBondContact O-CA 3.42Å; V338-D354 HydrophobicContact CG2-CB 3.81Å; V338-D354 PolarHBondContact N-O 2.94Å; V338-D354 PolarHBondContact O-N 3.18Å; V338-E356 HydrophobicContact CG2-CG 4.09Å |
| 339 | C | 96.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.041 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.7 | 167.5 | -168.4 | 0 | 0 | 0 | 0 | 109 | P120 I130 V132 L353 | P120-C339 VanDerWaalsContact CD-SG 3.6Å; P120-C339 HydrophobicContact CG-CB 4.31Å; I130-C339 PolarHBondContact O-N 3.24Å; V132-C339 HydrophobicContact CG2-CB 4.03Å; C339-L353 HydrophobicContact CB-CD2 3.93Å |
| 340 | I | 95.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 139.4 | -179.3 | -58.1 | -54.2 | 0 | 0 | 0 | 110 | V338 E344 L345 K352 D354 | V338-I340 HydrophobicContact CG2-CD1 4.01Å; I340-E344 HydrophobicContact CG2-CB 3.8Å; I340-L345 HydrophobicContact CB-CD2 4.16Å; I340-L345 HydrophobicContact CG2-CD2 4.09Å; I340-K352 HydrophobicContact CB-CB 4.18Å; I340-K352 HydrophobicContact CB-CG 4.35Å; I340-K352 HydrophobicContact CG1-CB 4.2Å; I340-K352 HydrophobicContact CG1-CD 4.06Å; I340-K352 HydrophobicContact CG1-CG 3.85Å; I340-K352 PolarHBondContact N-O 3.38Å; I340-D354 HydrophobicContact CD1-CB 4.03Å; I340-D354 WeakPolarHBondContact CD1-OD2 3.47Å; I340-D354 HydrophobicContact CG1-CB 4.45Å |
| 341 | V | 94.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 152.8 | -178.8 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | P120 S122 E125 G343 E344 L345 | P120-V341 HydrophobicContact CB-CG1 4.26Å; P120-V341 WeakPolarHBondContact O-CA 3.3Å; S122-V341 WeakPolarHBondContact O-CB 3.14Å; S122-V341 WeakPolarHBondContact O-CG2 3.38Å; E125-V341 HydrophobicContact CG-CG2 4.31Å; V341-G343 VanDerWaalsContact C-N 3.29Å; V341-G343 PolarHBondContact O-N 3.49Å; V341-E344 HydrophobicContact CG2-CB 3.93Å; V341-E344 HydrophobicContact CG2-CG 3.62Å; V341-E344 PolarHBondContact O-N 3.37Å; V341-E344 VanDerWaalsContact O-N 3.09Å; V341-L345 PolarHBondContact O-N 2.82Å |
| 342 | S | 94.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -59.5 | -32.7 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 115 | K25 P120 F121 S122 E344 | K25-S342 WeakPolarHBondContact O-CB 3.42Å; K25-S342 PolarHBondContact O-OG 3.07Å; P120-S342 PolarHBondContact O-N 2.86Å; P120-S342 PolarHBondContact O-OG 3.39Å; F121-S342 WeakPolarHBondContact CA-OG 3.45Å; S122-S342 PolarHBondContact N-OG 2.97Å; S342-E344 VanDerWaalsContact C-N 3.28Å; S342-E344 PolarHBondContact O-N 3.13Å |
| 343 | G | 93.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 18.9 Ų | 18.9 | 22% | 0.216 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -71.7 | -18 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S122 V341 | S122-G343 PolarHBondContact O-N 2.96Å; V341-G343 VanDerWaalsContact C-N 3.29Å; V341-G343 PolarHBondContact O-N 3.49Å |
| 344 | E | 92.3 | Very high | 96.3 | Very high | 98 Ų | 98 | 19.2 Ų | 19.2 | 46% | 0.458 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -106.6 | 2.6 | -177 | -62.8 | -75.5 | 171.8 | 0 | 0 | 112.1 | E125 I340 V341 S342 | E125-E344 HydrophobicContact CG-CB 4.39Å; E125-E344 HydrophobicContact CG-CG 3.61Å; I340-E344 HydrophobicContact CG2-CB 3.8Å; V341-E344 HydrophobicContact CG2-CB 3.93Å; V341-E344 HydrophobicContact CG2-CG 3.62Å; V341-E344 PolarHBondContact O-N 3.37Å; V341-E344 VanDerWaalsContact O-N 3.09Å; S342-E344 VanDerWaalsContact C-N 3.28Å; S342-E344 PolarHBondContact O-N 3.13Å |
| 345 | L | 94 | Very high | 96.3 | Very high | 13 Ų | 13 | 18.7 Ų | 18.7 | 7% | 0.068 | 10% | 0.095 | C | C | . | . | trans | -73.3 | 128 | 170.6 | -66.1 | -177.8 | 0 | 0 | 0 | 109.6 | R26 V115 V119 I340 V341 A349 K352 | R26-L345 VanDerWaalsContact NH1-CB 3.26Å; R26-L345 PolarHBondContact NH1-O 3.48Å; R26-L345 VanDerWaalsContact NH1-O 3.16Å; V115-L345 HydrophobicContact CG1-CD1 4.4Å; V115-L345 HydrophobicContact CG2-CD1 4.47Å; V119-L345 HydrophobicContact CG1-CD1 3.93Å; V119-L345 HydrophobicContact CG2-CD1 4.29Å; I340-L345 HydrophobicContact CB-CD2 4.16Å; I340-L345 HydrophobicContact CG2-CD2 4.09Å; V341-L345 PolarHBondContact O-N 2.82Å; L345-A349 HydrophobicContact CD2-CB 4.41Å; L345-K352 HydrophobicContact CD2-CB 3.51Å | ||
| 346 | N | 92.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 19 Ų | 19 | 37% | 0.369 | 10% | 0.096 | S | C | . | . | trans | -62.4 | 158.8 | 166.1 | 73.3 | -32.9 | 0 | 0 | 0 | 110.4 | R26 A348 A349 | R26-N346 PolarHBondContact NH1-O 3.34Å; N346-A348 PolarHBondContact O-N 2.93Å; N346-A349 PolarHBondContact O-N 3.13Å; N346-A349 WeakPolarHBondContact OD1-CB 3.34Å; N346-A349 PolarHBondContact OD1-N 3.29Å | ||
| 347 | N | 94.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 16.4 Ų | 16.4 | 20% | 0.198 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -55.4 | -27.5 | -177.3 | -69.5 | -3.1 | 0 | 0 | 0 | 114.3 | G112 N113 Y377 | G112-N347 CarbonylContact C-O 3.58Å; G112-N347 WeakPolarHBondContact CA-O 3.5Å; N113-N347 VanDerWaalsContact CB-O 3.32Å; N113-N347 WeakPolarHBondContact CB-O 3.11Å; N113-N347 PolarHBondContact N-O 3.35Å; N347-Y377 HydrophobicContact CB-CE1 4.37Å |
| 348 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -77.7 | -41.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 N113 N346 A350 C374 Y377 Q378 | M1-A348 HydrophobicContact SD-CB 3.97Å; N113-A348 WeakPolarHBondContact CB-O 3.49Å; N113-A348 PolarHBondContact ND2-O 3.01Å; N346-A348 PolarHBondContact O-N 2.93Å; A348-A350 PolarHBondContact O-N 2.88Å; A348-C374 HydrophobicContact CB-CB 4.42Å; A348-C374 WeakPolarHBondContact O-CA 3.28Å; A348-Y377 VanDerWaalsContact CA-CD1 3.44Å; A348-Y377 HydrophobicContact CB-CD1 3.79Å; A348-Y377 HydrophobicContact CB-CE1 4.1Å; A348-Q378 HydrophobicContact CB-CG 4.5Å |
| 349 | A | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -74.1 | 123.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R26 L345 N346 K352 | R26-A349 PolarHBondContact NH2-O 3.04Å; L345-A349 HydrophobicContact CD2-CB 4.41Å; N346-A349 PolarHBondContact O-N 3.13Å; N346-A349 WeakPolarHBondContact OD1-CB 3.34Å; N346-A349 PolarHBondContact OD1-N 3.29Å; A349-K352 HydrophobicContact CB-CB 4.42Å | ||
| 350 | A | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -77.1 | -31.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I114 H116 W314 A348 N373 T375 | I114-A350 VanDerWaalsContact O-CB 3.22Å; I114-A350 WeakPolarHBondContact O-CB 3.3Å; H116-A350 PolarHBondContact N-O 3.5Å; W314-A350 HydrophobicContact CH2-CB 3.86Å; A348-A350 PolarHBondContact O-N 2.88Å; A350-N373 WeakPolarHBondContact CB-O 3.39Å; A350-N373 PolarHBondContact N-O 3.43Å; A350-T375 HydrophobicContact CB-CG2 3.97Å |
| 351 | K | 98 | Very high | 96.5 | Very high | 31 Ų | 31 | 17.8 Ų | 17.8 | 14% | 0.135 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 141.9 | 172.3 | -176.1 | 176.1 | 173.7 | -178.4 | 0 | 108.7 | H116 S118 V119 W314 L317 S372 N373 | H116-K351 HydrophobicContact CB-CB 4.01Å; H116-K351 HydrophobicContact CB-CD 4.5Å; S118-K351 WeakPolarHBondContact OG-CE 3.49Å; S118-K351 PolarHBondContact OG-NZ 2.65Å; V119-K351 HydrophobicContact CG2-CB 4.08Å; V119-K351 HydrophobicContact CG2-CG 3.98Å; W314-K351 HydrophobicContact CH2-CB 4.46Å; W314-K351 HydrophobicContact CZ3-CB 3.84Å; W314-K351 HydrophobicContact CZ3-CD 4.35Å; L317-K351 HydrophobicContact CD2-CB 4.28Å; L317-K351 HydrophobicContact CD2-CD 3.92Å; L317-K351 HydrophobicContact CD2-CG 4.17Å; K351-S372 WeakPolarHBondContact O-CA 3.42Å; K351-N373 PolarHBondContact O-N 3.18Å |
| 352 | K | 98.1 | Very high | 96.5 | Very high | 39 Ų | 39 | 19.8 Ų | 19.8 | 17% | 0.17 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.5 | 175.5 | 178.7 | 176 | 159.5 | 169.2 | 0 | 110.4 | I340 L345 A349 D354 S370 C371 | I340-K352 HydrophobicContact CB-CB 4.18Å; I340-K352 HydrophobicContact CB-CG 4.35Å; I340-K352 HydrophobicContact CG1-CB 4.2Å; I340-K352 HydrophobicContact CG1-CD 4.06Å; I340-K352 HydrophobicContact CG1-CG 3.85Å; I340-K352 PolarHBondContact N-O 3.38Å; L345-K352 HydrophobicContact CD2-CB 3.51Å; A349-K352 HydrophobicContact CB-CB 4.42Å; K352-D354 VanDerWaalsContact CE-CG 3.44Å; K352-D354 WeakPolarHBondContact CE-OD1 3.34Å; K352-D354 WeakPolarHBondContact CE-OD2 3.37Å; K352-D354 WeakPolarHBondContact CG-OD1 3.49Å; K352-D354 IonicContact NZ-OD1 3.69Å; K352-D354 IonicContact NZ-OD2 4Å; K352-S370 VanDerWaalsContact CE-CB 3.49Å; K352-S370 WeakPolarHBondContact CE-OG 3.49Å; K352-S370 PolarHBondContact NZ-OG 2.97Å; K352-C371 WeakPolarHBondContact CA-O 3.42Å |
| 353 | L | 98 | Very high | 96.5 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.6 | 174.6 | -62.8 | 178.5 | 0 | 0 | 0 | 108.5 | L317 M321 V337 V338 C339 C371 | L317-L353 HydrophobicContact CG-CD1 4.41Å; M321-L353 HydrophobicContact CB-CD1 4.38Å; M321-L353 HydrophobicContact CE-CB 3.46Å; M321-L353 VanDerWaalsContact CE-CB 3.46Å; M321-L353 WeakPolarHBondContact CE-O 3.22Å; M321-L353 HydrophobicContact CG-CD1 4.3Å; V337-L353 HydrophobicContact CG1-CB 4.38Å; V338-L353 WeakPolarHBondContact O-CA 3.42Å; C339-L353 HydrophobicContact CB-CD2 3.93Å; L353-C371 PolarHBondContact N-O 2.89Å; L353-C371 PolarHBondContact O-N 2.79Å |
| 354 | D | 98 | Very high | 96.6 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.6 | 177.7 | -72.4 | 6.7 | 0 | 0 | 0 | 110.9 | V337 V338 I340 K352 E367 V369 S370 | V337-D354 CarbonylContact C-O 3.48Å; V337-D354 VanDerWaalsContact CA-O 3.28Å; V337-D354 WeakPolarHBondContact CA-O 3.1Å; V338-D354 HydrophobicContact CG2-CB 3.81Å; V338-D354 PolarHBondContact N-O 2.94Å; V338-D354 PolarHBondContact O-N 3.18Å; I340-D354 HydrophobicContact CD1-CB 4.03Å; I340-D354 WeakPolarHBondContact CD1-OD2 3.47Å; I340-D354 HydrophobicContact CG1-CB 4.45Å; K352-D354 VanDerWaalsContact CE-CG 3.44Å; K352-D354 WeakPolarHBondContact CE-OD1 3.34Å; K352-D354 WeakPolarHBondContact CE-OD2 3.37Å; K352-D354 WeakPolarHBondContact CG-OD1 3.49Å; K352-D354 IonicContact NZ-OD1 3.69Å; K352-D354 IonicContact NZ-OD2 4Å; D354-E367 HydrophobicContact CB-CG 4.38Å; D354-V369 CarbonylContact C-O 3.43Å; D354-V369 WeakPolarHBondContact CA-O 3.28Å; D354-V369 WeakPolarHBondContact CB-O 3.44Å; D354-S370 VanDerWaalsContact OD1-CA 3.28Å; D354-S370 WeakPolarHBondContact OD1-CA 3.35Å; D354-S370 VanDerWaalsContact OD1-CB 3.29Å; D354-S370 WeakPolarHBondContact OD1-CB 3.47Å |
| 355 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 110.8 | 166.7 | -169.5 | 153 | 0 | 0 | 0 | 107.7 | M321 E325 Y328 Y335 L368 V369 | M321-L355 HydrophobicContact SD-CB 4.47Å; E325-L355 HydrophobicContact CG-CD1 4.09Å; Y328-L355 HydrophobicContact CD1-CD2 4.42Å; Y328-L355 HydrophobicContact CD2-CD1 3.64Å; Y328-L355 HydrophobicContact CD2-CD2 3.84Å; Y328-L355 HydrophobicContact CD2-CG 4.38Å; Y328-L355 HydrophobicContact CE2-CD1 4.34Å; Y328-L355 HydrophobicContact CE2-CD2 4.2Å; Y328-L355 HydrophobicContact CG-CD1 4.25Å; Y328-L355 HydrophobicContact CG-CD2 4Å; Y335-L355 HydrophobicContact CD1-CD1 4.14Å; Y335-L355 HydrophobicContact CD1-CD2 4.31Å; Y335-L355 HydrophobicContact CD1-CG 4.43Å; Y335-L355 HydrophobicContact CD2-CD1 3.7Å; Y335-L355 HydrophobicContact CD2-CD2 4.19Å; Y335-L355 HydrophobicContact CD2-CG 3.61Å; Y335-L355 HydrophobicContact CE1-CD1 4.3Å; Y335-L355 HydrophobicContact CE2-CD1 3.89Å; Y335-L355 HydrophobicContact CE2-CG 4.28Å; Y335-L355 HydrophobicContact CG-CD1 3.86Å; Y335-L355 HydrophobicContact CG-CD2 3.76Å; Y335-L355 HydrophobicContact CG-CG 3.73Å; L355-L368 PolarHBondContact O-N 2.63Å; L355-V369 HydrophobicContact CB-CB 3.81Å; L355-V369 HydrophobicContact CB-CG2 4.31Å; L355-V369 PolarHBondContact N-O 2.73Å; L355-V369 PolarHBondContact O-N 2.87Å |
| 356 | E | 98.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.7 Ų | 23.7 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.6 | 175.8 | -55 | 179.2 | 165.2 | 0 | 0 | 108.9 | K129 Y335 R336 V338 F365 R366 | K129-E356 IonicContact NZ-OE1 3.64Å; K129-E356 PolarHBondContact NZ-OE1 3.43Å; Y335-E356 CarbonylContact C-O 3.59Å; Y335-E356 WeakPolarHBondContact CA-O 3.35Å; Y335-E356 WeakPolarHBondContact CB-O 2.75Å; R336-E356 HydrophobicContact CG-CB 4.09Å; R336-E356 IonicContact CZ-OE2 3.83Å; R336-E356 PolarHBondContact N-O 3.44Å; R336-E356 IonicContact NE-OE2 3.27Å; R336-E356 PolarHBondContact NE-OE2 3.21Å; R336-E356 IonicContact NH2-OE2 3.24Å; R336-E356 PolarHBondContact NH2-OE2 3.14Å; R336-E356 PolarHBondContact O-N 3Å; V338-E356 HydrophobicContact CG2-CG 4.09Å; E356-F365 HydrophobicContact CB-CB 3.97Å; E356-F365 HydrophobicContact CB-CD1 4.36Å; E356-F365 WeakPolarHBondContact O-CD1 3.43Å; E356-R366 CarbonylContact C-O 3.48Å; E356-R366 VanDerWaalsContact CA-O 3.3Å; E356-R366 WeakPolarHBondContact CA-O 3.33Å |
| 357 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 150.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I333 P334 F359 F365 R366 L368 | I333-A357 HydrophobicContact CG2-CB 3.7Å; P334-A357 CarbonylContact O-C 3.54Å; P334-A357 WeakPolarHBondContact O-CA 3.32Å; A357-F359 HydrophobicContact CB-CD2 4.41Å; A357-F359 HydrophobicContact CB-CE2 4.01Å; A357-F359 WeakPolarHBondContact O-CD2 3.42Å; A357-F365 CarbonylContact O-C 3.45Å; A357-F365 VanDerWaalsContact O-CA 3.3Å; A357-F365 WeakPolarHBondContact O-CA 3.45Å; A357-R366 PolarHBondContact N-O 2.92Å; A357-R366 PolarHBondContact O-N 2.84Å; A357-L368 HydrophobicContact CB-CD1 3.33Å; A357-L368 HydrophobicContact CB-CG 3.75Å |
| 358 | W | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.6 | 173.2 | 177.1 | -111.2 | 0 | 0 | 0 | 110.6 | L138 V140 P334 P360 N363 F365 N421 | L138-W358 HydrophobicContact CD2-CB 4.11Å; L138-W358 WeakPolarHBondContact O-CZ2 3.47Å; V140-W358 PolarHBondContact O-NE1 3.43Å; P334-W358 HydrophobicContact CB-CB 4.08Å; P334-W358 HydrophobicContact CG-CB 4.03Å; P334-W358 PolarHBondContact O-N 3.13Å; W358-P360 WeakPolarHBondContact O-CD 3.32Å; W358-N363 VanDerWaalsContact CH2-OD1 3.24Å; W358-N363 WeakPolarHBondContact CH2-OD1 3.42Å; W358-F365 HydrophobicContact CB-CD1 4.38Å; W358-F365 HydrophobicContact CB-CE1 4.04Å; W358-F365 HydrophobicContact CE3-CD1 4.25Å; W358-F365 HydrophobicContact CE3-CD2 4.01Å; W358-F365 HydrophobicContact CE3-CE1 4.1Å; W358-F365 AromaticContact CE3-CE2 3.83Å; W358-F365 HydrophobicContact CE3-CE2 3.83Å; W358-F365 HydrophobicContact CE3-CG 4.22Å; W358-F365 AromaticContact CE3-CZ 3.88Å; W358-F365 HydrophobicContact CE3-CZ 3.88Å; W358-F365 HydrophobicContact CZ3-CD2 4.19Å; W358-F365 HydrophobicContact CZ3-CE2 4.05Å; W358-F365 HydrophobicContact CZ3-CZ 4.5Å; W358-N421 PolarHBondContact O-ND2 3.39Å |
| 359 | F | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 99.2 | 178.3 | -81.9 | -113.7 | 0 | 0 | 0 | 109 | F292 A357 G361 S362 N363 A364 R366 L368 C416 A417 E420 | F292-F359 HydrophobicContact CD2-CE1 4.3Å; F292-F359 HydrophobicContact CD2-CZ 4.22Å; F292-F359 HydrophobicContact CE2-CE1 4.3Å; F292-F359 HydrophobicContact CE2-CE2 4.47Å; F292-F359 AromaticContact CE2-CZ 3.83Å; F292-F359 HydrophobicContact CE2-CZ 3.83Å; A357-F359 HydrophobicContact CB-CD2 4.41Å; A357-F359 HydrophobicContact CB-CE2 4.01Å; A357-F359 WeakPolarHBondContact O-CD2 3.42Å; F359-G361 PolarHBondContact O-N 2.86Å; F359-S362 CarbonylContact O-C 3.59Å; F359-S362 PolarHBondContact O-N 2.69Å; F359-N363 WeakPolarHBondContact O-CA 3.36Å; F359-N363 PolarHBondContact O-N 2.89Å; F359-A364 WeakPolarHBondContact CB-O 3.47Å; F359-A364 PolarHBondContact N-O 3.13Å; F359-A364 PolarHBondContact O-N 3.25Å; F359-R366 HydrophobicContact CD2-CB 3.61Å; F359-R366 HydrophobicContact CD2-CG 3.77Å; F359-R366 HydrophobicContact CE2-CB 3.5Å; F359-R366 HydrophobicContact CE2-CG 4.06Å; F359-R366 HydrophobicContact CG-CB 4.37Å; F359-R366 HydrophobicContact CG-CG 4.04Å; F359-R366 HydrophobicContact CZ-CB 4.16Å; F359-L368 HydrophobicContact CE2-CD2 4.15Å; F359-L368 HydrophobicContact CZ-CD2 4.1Å; F359-C416 HydrophobicContact CE1-CB 3.77Å; F359-C416 HydrophobicContact CZ-CB 4.35Å; F359-A417 HydrophobicContact CE1-CB 4.2Å; F359-A417 HydrophobicContact CE2-CB 3.92Å; F359-A417 HydrophobicContact CZ-CB 3.59Å; F359-E420 WeakPolarHBondContact CA-OE2 3.47Å; F359-E420 VanDerWaalsContact CB-OE2 3.31Å; F359-E420 WeakPolarHBondContact CB-OE2 3.32Å; F359-E420 HydrophobicContact CD1-CG 4.35Å |
| 360 | P | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.6 | -168.4 | 26.7 | -37 | 0 | 0 | 0 | 115.1 | V140 R141 K142 W358 E420 | V140-P360 HydrophobicContact CG1-CB 4.35Å; V140-P360 WeakPolarHBondContact O-CB 3.33Å; R141-P360 WeakPolarHBondContact CA-O 3.37Å; K142-P360 HydrophobicContact CB-CB 4.16Å; K142-P360 HydrophobicContact CB-CG 4.33Å; K142-P360 HydrophobicContact CD-CG 4.37Å; K142-P360 HydrophobicContact CG-CB 4.05Å; K142-P360 HydrophobicContact CG-CG 4.18Å; K142-P360 PolarHBondContact N-O 3.12Å; K142-P360 VanDerWaalsContact N-O 3.07Å; W358-P360 WeakPolarHBondContact O-CD 3.32Å; P360-E420 HydrophobicContact CG-CB 4.07Å; P360-E420 WeakPolarHBondContact CG-O 3.31Å |
| 361 | G | 95.9 | Very high | 97.4 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -42.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y144 F359 N363 E420 | Y144-G361 WeakPolarHBondContact O-CA 3.43Å; F359-G361 PolarHBondContact O-N 2.86Å; G361-N363 VanDerWaalsContact C-N 3.3Å; G361-N363 PolarHBondContact O-N 2.8Å; G361-E420 VanDerWaalsContact CA-OE2 3.27Å; G361-E420 WeakPolarHBondContact CA-OE2 3.49Å; G361-E420 PolarHBondContact N-OE2 2.97Å |
| 362 | S | 94.7 | Very high | 97.4 | Very high | 43 Ų | 43 | 21.7 Ų | 21.7 | 30% | 0.301 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.5 | 176.7 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | F359 A364 E420 | F359-S362 CarbonylContact O-C 3.59Å; F359-S362 PolarHBondContact O-N 2.69Å; S362-A364 PolarHBondContact O-N 2.74Å; S362-E420 PolarHBondContact N-OE2 2.78Å; S362-E420 PolarHBondContact OG-OE1 2.96Å |
| 363 | N | 95.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 19.8 Ų | 19.8 | 39% | 0.39 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 47.2 | -177.5 | -171.7 | 53 | 0 | 0 | 0 | 113.9 | R141 W358 F359 G361 | R141-N363 WeakPolarHBondContact CD-OD1 3.5Å; R141-N363 VanDerWaalsContact CZ-OD1 3.27Å; R141-N363 PolarHBondContact NE-OD1 2.86Å; R141-N363 PolarHBondContact NH1-ND2 3.12Å; R141-N363 VanDerWaalsContact NH1-ND2 3.14Å; R141-N363 PolarHBondContact NH1-OD1 2.67Å; W358-N363 VanDerWaalsContact CH2-OD1 3.24Å; W358-N363 WeakPolarHBondContact CH2-OD1 3.42Å; F359-N363 WeakPolarHBondContact O-CA 3.36Å; F359-N363 PolarHBondContact O-N 2.89Å; G361-N363 VanDerWaalsContact C-N 3.3Å; G361-N363 PolarHBondContact O-N 2.8Å |
| 364 | A | 95.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 19.5 Ų | 19.5 | 17% | 0.165 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 159.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F359 S362 | F359-A364 WeakPolarHBondContact CB-O 3.47Å; F359-A364 PolarHBondContact N-O 3.13Å; F359-A364 PolarHBondContact O-N 3.25Å; S362-A364 PolarHBondContact O-N 2.74Å |
| 365 | F | 96 | Very high | 97.5 | Very high | 46 Ų | 46 | 19.9 Ų | 19.9 | 20% | 0.202 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.6 | 163.8 | -70.6 | -78.4 | 0 | 0 | 0 | 110.4 | L138 R336 E356 A357 W358 | L138-F365 HydrophobicContact CB-CZ 3.98Å; L138-F365 HydrophobicContact CD1-CE1 4.17Å; L138-F365 HydrophobicContact CD1-CZ 3.86Å; L138-F365 HydrophobicContact CD2-CE1 4.02Å; L138-F365 HydrophobicContact CD2-CZ 4.29Å; L138-F365 HydrophobicContact CG-CE1 4.46Å; L138-F365 HydrophobicContact CG-CZ 4.25Å; R336-F365 HydrophobicContact CB-CE1 4.14Å; R336-F365 HydrophobicContact CG-CD1 3.7Å; R336-F365 HydrophobicContact CG-CE1 3.73Å; R336-F365 HydrophobicContact CG-CG 4.25Å; R336-F365 HydrophobicContact CG-CZ 4.34Å; R336-F365 VanDerWaalsContact CZ-CD2 3.48Å; E356-F365 HydrophobicContact CB-CB 3.97Å; E356-F365 HydrophobicContact CB-CD1 4.36Å; E356-F365 WeakPolarHBondContact O-CD1 3.43Å; A357-F365 CarbonylContact O-C 3.45Å; A357-F365 VanDerWaalsContact O-CA 3.3Å; A357-F365 WeakPolarHBondContact O-CA 3.45Å; W358-F365 HydrophobicContact CB-CD1 4.38Å; W358-F365 HydrophobicContact CB-CE1 4.04Å; W358-F365 HydrophobicContact CE3-CD1 4.25Å; W358-F365 HydrophobicContact CE3-CD2 4.01Å; W358-F365 HydrophobicContact CE3-CE1 4.1Å; W358-F365 AromaticContact CE3-CE2 3.83Å; W358-F365 HydrophobicContact CE3-CE2 3.83Å; W358-F365 HydrophobicContact CE3-CG 4.22Å; W358-F365 AromaticContact CE3-CZ 3.88Å; W358-F365 HydrophobicContact CE3-CZ 3.88Å; W358-F365 HydrophobicContact CZ3-CD2 4.19Å; W358-F365 HydrophobicContact CZ3-CE2 4.05Å; W358-F365 HydrophobicContact CZ3-CZ 4.5Å |
| 366 | R | 96.5 | Very high | 97.4 | Very high | 77 Ų | 77 | 21.4 Ų | 21.4 | 29% | 0.291 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.6 | 178.9 | -68.4 | -68.8 | -174.3 | -92.8 | -1.9 | 109.8 | F292 E356 A357 F359 L368 | F292-R366 HydrophobicContact CE2-CB 3.92Å; F292-R366 HydrophobicContact CE2-CG 4.32Å; F292-R366 HydrophobicContact CZ-CB 3.67Å; F292-R366 HydrophobicContact CZ-CG 4.09Å; E356-R366 CarbonylContact C-O 3.48Å; E356-R366 VanDerWaalsContact CA-O 3.3Å; E356-R366 WeakPolarHBondContact CA-O 3.33Å; A357-R366 PolarHBondContact N-O 2.92Å; A357-R366 PolarHBondContact O-N 2.84Å; F359-R366 HydrophobicContact CD2-CB 3.61Å; F359-R366 HydrophobicContact CD2-CG 3.77Å; F359-R366 HydrophobicContact CE2-CB 3.5Å; F359-R366 HydrophobicContact CE2-CG 4.06Å; F359-R366 HydrophobicContact CG-CB 4.37Å; F359-R366 HydrophobicContact CG-CG 4.04Å; F359-R366 HydrophobicContact CZ-CB 4.16Å; R366-L368 PolarHBondContact O-N 3.27Å |
| 367 | E | 97 | Very high | 97.4 | Very high | 69 Ų | 69 | 21 Ų | 21 | 32% | 0.322 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 122.7 | 179.1 | -174.9 | -156.9 | 149.7 | 0 | 0 | 111.2 | D354 R413 | D354-E367 HydrophobicContact CB-CG 4.38Å; E367-R413 PolarHBondContact O-NH1 3.35Å |
| 368 | L | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -30 | 170.6 | -58.9 | -169.1 | 0 | 0 | 0 | 112.3 | F292 Y328 L355 A357 F359 R366 R413 V414 A417 | F292-L368 HydrophobicContact CE2-CD2 4.26Å; Y328-L368 HydrophobicContact CD1-CD1 4.07Å; Y328-L368 HydrophobicContact CE1-CB 4.08Å; Y328-L368 HydrophobicContact CE1-CD1 3.39Å; Y328-L368 HydrophobicContact CE1-CG 4.39Å; Y328-L368 WeakPolarHBondContact OH-CB 3.36Å; L355-L368 PolarHBondContact O-N 2.63Å; A357-L368 HydrophobicContact CB-CD1 3.33Å; A357-L368 HydrophobicContact CB-CG 3.75Å; F359-L368 HydrophobicContact CE2-CD2 4.15Å; F359-L368 HydrophobicContact CZ-CD2 4.1Å; R366-L368 PolarHBondContact O-N 3.27Å; L368-R413 HydrophobicContact CD2-CB 3.57Å; L368-V414 HydrophobicContact CD1-CG2 4.43Å; L368-A417 HydrophobicContact CD1-CB 3.92Å |
| 369 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.6 | 179.3 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M321 A324 Y328 D354 L355 C371 T407 | M321-V369 HydrophobicContact CE-CG1 4.27Å; A324-V369 HydrophobicContact CB-CG1 4.06Å; A324-V369 HydrophobicContact CB-CG2 4.19Å; Y328-V369 HydrophobicContact CD2-CG2 4.39Å; Y328-V369 HydrophobicContact CE2-CG2 3.35Å; Y328-V369 WeakPolarHBondContact OH-CG2 3.04Å; D354-V369 CarbonylContact C-O 3.43Å; D354-V369 WeakPolarHBondContact CA-O 3.28Å; D354-V369 WeakPolarHBondContact CB-O 3.44Å; L355-V369 HydrophobicContact CB-CB 3.81Å; L355-V369 HydrophobicContact CB-CG2 4.31Å; L355-V369 PolarHBondContact N-O 2.73Å; L355-V369 PolarHBondContact O-N 2.87Å; V369-C371 VanDerWaalsContact CG1-SG 3.59Å; V369-T407 WeakPolarHBondContact CG1-O 3.37Å; V369-T407 HydrophobicContact CG2-CG2 4.45Å; V369-T407 VanDerWaalsContact CG2-O 3.3Å; V369-T407 WeakPolarHBondContact CG2-O 3.31Å |
| 370 | S | 97.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 12% | 0.119 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.3 | 165.7 | 148.1 | 0 | 0 | 0 | 0 | 107 | K352 D354 G406 T407 | K352-S370 VanDerWaalsContact CE-CB 3.49Å; K352-S370 WeakPolarHBondContact CE-OG 3.49Å; K352-S370 PolarHBondContact NZ-OG 2.97Å; D354-S370 VanDerWaalsContact OD1-CA 3.28Å; D354-S370 WeakPolarHBondContact OD1-CA 3.35Å; D354-S370 VanDerWaalsContact OD1-CB 3.29Å; D354-S370 WeakPolarHBondContact OD1-CB 3.47Å; S370-G406 WeakPolarHBondContact O-CA 3.35Å; S370-T407 PolarHBondContact O-N 2.95Å; S370-T407 VanDerWaalsContact O-N 3.16Å |
| 371 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.3 | 171.4 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | L317 M321 K352 L353 V369 N405 G406 | L317-C371 HydrophobicContact CD1-CB 4.01Å; M321-C371 HydrophobicContact CE-CB 3.57Å; M321-C371 VanDerWaalsContact CE-SG 3.52Å; K352-C371 WeakPolarHBondContact CA-O 3.42Å; L353-C371 PolarHBondContact N-O 2.89Å; L353-C371 PolarHBondContact O-N 2.79Å; V369-C371 VanDerWaalsContact CG1-SG 3.59Å; C371-N405 CarbonylContact C-O 3.49Å; C371-N405 WeakPolarHBondContact CA-O 3.46Å; C371-G406 VanDerWaalsContact SG-CA 3.58Å |
| 372 | S | 98.5 | Very high | 97 | Very high | 5 Ų | 5 | 24 Ų | 24 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.1 | -176.7 | -56 | 0 | 0 | 0 | 0 | 111.5 | K351 L404 N405 | K351-S372 WeakPolarHBondContact O-CA 3.42Å; S372-L404 WeakPolarHBondContact O-CA 3.41Å; S372-N405 PolarHBondContact N-O 3.18Å; S372-N405 PolarHBondContact O-N 2.99Å; S372-N405 VanDerWaalsContact O-N 3.11Å |
| 373 | N | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 115 | 162.7 | -174.5 | -3.4 | 0 | 0 | 0 | 108.7 | S313 W314 L317 A350 K351 T375 L404 | S313-N373 PolarHBondContact OG-ND2 3.43Å; W314-N373 HydrophobicContact CE3-CB 4.3Å; W314-N373 HydrophobicContact CH2-CB 4.45Å; W314-N373 HydrophobicContact CZ3-CB 3.89Å; W314-N373 WeakPolarHBondContact CZ3-ND2 3.31Å; L317-N373 HydrophobicContact CB-CB 4.42Å; L317-N373 HydrophobicContact CD1-CB 4.46Å; L317-N373 HydrophobicContact CD2-CB 4.1Å; A350-N373 WeakPolarHBondContact CB-O 3.39Å; A350-N373 PolarHBondContact N-O 3.43Å; K351-N373 PolarHBondContact O-N 3.18Å; N373-T375 PolarHBondContact OD1-N 3.06Å; N373-L404 HydrophobicContact CB-CD2 3.66Å; N373-L404 HydrophobicContact CB-CG 4.14Å |
| 374 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -97.8 | 3.9 | -179.2 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | N113 A348 D376 Y377 Q378 M403 N405 | N113-C374 PolarHBondContact ND2-O 3.35Å; A348-C374 HydrophobicContact CB-CB 4.42Å; A348-C374 WeakPolarHBondContact O-CA 3.28Å; C374-D376 PolarHBondContact O-N 2.88Å; C374-Y377 WeakPolarHBondContact O-CB 3.38Å; C374-Y377 PolarHBondContact O-N 3.17Å; C374-Q378 HydrophobicContact CB-CG 4.25Å; C374-M403 WeakPolarHBondContact CA-O 3.44Å; C374-M403 WeakPolarHBondContact CB-O 3.33Å; C374-M403 PolarHBondContact N-O 3.35Å; C374-N405 PolarHBondContact SG-ND2 3.13Å; C374-N405 VanDerWaalsContact SG-ND2 3.44Å | ||
| 375 | T | 98.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 9% | 0.086 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | -137.8 | -175.4 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | N113 W314 A350 N373 Y377 H402 M403 | N113-T375 PolarHBondContact ND2-OG1 3.33Å; N113-T375 PolarHBondContact OD1-OG1 3.34Å; W314-T375 HydrophobicContact CH2-CG2 4.43Å; W314-T375 HydrophobicContact CZ2-CG2 4.2Å; A350-T375 HydrophobicContact CB-CG2 3.97Å; N373-T375 PolarHBondContact OD1-N 3.06Å; T375-Y377 VanDerWaalsContact C-N 3.33Å; T375-H402 CarbonylContact O-C 3.6Å; T375-H402 VanDerWaalsContact O-CA 3.3Å; T375-H402 WeakPolarHBondContact O-CA 3.27Å; T375-M403 PolarHBondContact O-N 3.28Å |
| 376 | D | 97.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 17% | 0.171 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.6 | 175.9 | 65.4 | -29.4 | 0 | 0 | 0 | 114.8 | C374 Q378 A379 R380 F400 H402 | C374-D376 PolarHBondContact O-N 2.88Å; D376-Q378 PolarHBondContact O-N 3.36Å; D376-A379 PolarHBondContact O-N 3.32Å; D376-R380 VanDerWaalsContact O-CB 3.26Å; D376-R380 WeakPolarHBondContact O-CB 3.48Å; D376-R380 PolarHBondContact O-N 3.22Å; D376-R380 IonicContact OD2-CZ 3.79Å; D376-R380 IonicContact OD2-NE 3.55Å; D376-R380 PolarHBondContact OD2-NE 2.87Å; D376-R380 IonicContact OD2-NH2 3.58Å; D376-R380 PolarHBondContact OD2-NH2 3.43Å; D376-F400 HydrophobicContact CB-CB 4.08Å; D376-H402 PolarHBondContact N-CD2 2.86Å |
| 377 | Y | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | -170.6 | -171 | -96.4 | 0 | 0 | 0 | 113.3 | M1 V2 V3 I111 N113 N347 A348 C374 T375 | M1-Y377 HydrophobicContact CB-CD1 3.4Å; M1-Y377 HydrophobicContact CB-CE1 3.11Å; M1-Y377 HydrophobicContact CB-CG 4.49Å; M1-Y377 HydrophobicContact CG-CD1 4.36Å; M1-Y377 HydrophobicContact CG-CE1 4.28Å; M1-Y377 PolarHBondContact O-OH 3.05Å; M1-Y377 HydrophobicContact SD-CD1 4.4Å; M1-Y377 HydrophobicContact SD-CE1 4.34Å; V2-Y377 PolarHBondContact N-O 3.2Å; V2-Y377 WeakPolarHBondContact O-CD2 3.3Å; V3-Y377 HydrophobicContact CG1-CD2 3.93Å; V3-Y377 HydrophobicContact CG1-CE2 3.9Å; I111-Y377 PolarHBondContact O-OH 3.29Å; I111-Y377 VanDerWaalsContact O-OH 3.11Å; N113-Y377 HydrophobicContact CB-CD2 3.76Å; N113-Y377 HydrophobicContact CB-CE2 4.34Å; N113-Y377 HydrophobicContact CB-CG 4.06Å; N347-Y377 HydrophobicContact CB-CE1 4.37Å; A348-Y377 VanDerWaalsContact CA-CD1 3.44Å; A348-Y377 HydrophobicContact CB-CD1 3.79Å; A348-Y377 HydrophobicContact CB-CE1 4.1Å; C374-Y377 WeakPolarHBondContact O-CB 3.38Å; C374-Y377 PolarHBondContact O-N 3.17Å; T375-Y377 VanDerWaalsContact C-N 3.33Å |
| 378 | Q | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -75.2 | -46.2 | 173.6 | -71 | 174.6 | -49.4 | 0 | 0 | 110.8 | M1 E249 A348 C374 D376 R380 R381 L382 M403 | M1-Q378 HydrophobicContact CG-CG 4.18Å; M1-Q378 HydrophobicContact SD-CG 3.74Å; E249-Q378 PolarHBondContact OE1-NE2 2.71Å; A348-Q378 HydrophobicContact CB-CG 4.5Å; C374-Q378 HydrophobicContact CB-CG 4.25Å; D376-Q378 PolarHBondContact O-N 3.36Å; Q378-R380 VanDerWaalsContact C-N 3.3Å; Q378-R380 PolarHBondContact O-N 2.63Å; Q378-R381 PolarHBondContact O-N 2.99Å; Q378-R381 VanDerWaalsContact O-N 3.14Å; Q378-L382 HydrophobicContact CB-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.14Å; Q378-L382 PolarHBondContact O-N 3.19Å; Q378-M403 HydrophobicContact CB-CB 4.47Å; Q378-M403 HydrophobicContact CB-SD 3.61Å |
| 379 | A | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -39.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D376 L382 R383 V384 F400 V401 M403 | D376-A379 PolarHBondContact O-N 3.32Å; A379-L382 CarbonylContact O-C 3.6Å; A379-L382 PolarHBondContact O-N 3.09Å; A379-R383 CarbonylContact O-C 3.57Å; A379-R383 WeakPolarHBondContact O-CA 3.32Å; A379-R383 PolarHBondContact O-N 2.83Å; A379-V384 HydrophobicContact CB-CB 4.31Å; A379-V384 PolarHBondContact O-N 3.17Å; A379-F400 HydrophobicContact CB-CB 3.89Å; A379-V401 HydrophobicContact CB-CG2 4Å; A379-V401 WeakPolarHBondContact CB-O 3.29Å; A379-M403 HydrophobicContact CB-CE 3.64Å; A379-M403 HydrophobicContact CB-CG 4.25Å; A379-M403 HydrophobicContact CB-SD 4.09Å |
| 380 | R | 95.3 | Very high | 92.3 | Very high | 44 Ų | 44 | 34 Ų | 34 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 177.6 | -172.6 | 175.1 | -61.8 | -87.5 | 0.4 | 112.5 | D4 D376 Q378 R383 F400 | D4-R380 IonicContact OD1-CZ 2.69Å; D4-R380 IonicContact OD1-NH1 2.92Å; D4-R380 PolarHBondContact OD1-NH1 3.1Å; D4-R380 VanDerWaalsContact OD1-NH1 3.13Å; D4-R380 IonicContact OD2-CZ 2.74Å; D4-R380 IonicContact OD2-NH1 2.67Å; D4-R380 PolarHBondContact OD2-NH1 3.39Å; D4-R380 IonicContact OD2-NH2 3.64Å; D4-R380 PolarHBondContact OD2-NH2 2.97Å; D376-R380 VanDerWaalsContact O-CB 3.26Å; D376-R380 WeakPolarHBondContact O-CB 3.48Å; D376-R380 PolarHBondContact O-N 3.22Å; D376-R380 IonicContact OD2-CZ 3.79Å; D376-R380 IonicContact OD2-NE 3.55Å; D376-R380 PolarHBondContact OD2-NE 2.87Å; D376-R380 IonicContact OD2-NH2 3.58Å; D376-R380 PolarHBondContact OD2-NH2 3.43Å; Q378-R380 VanDerWaalsContact C-N 3.3Å; Q378-R380 PolarHBondContact O-N 2.63Å; R380-R383 PolarHBondContact O-N 2.85Å; R380-F400 HydrophobicContact CB-CD2 4.27Å; R380-F400 HydrophobicContact CB-CE2 4.42Å; R380-F400 HydrophobicContact CB-CG 4.35Å; R380-F400 HydrophobicContact CG-CD2 4.3Å; R380-F400 HydrophobicContact CG-CE2 4.02Å; R380-F400 HydrophobicContact CG-CZ 4.26Å |
| 381 | R | 94.2 | Very high | 90.3 | Very high | 56 Ų | 56 | 41.9 Ų | 41.9 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -41.3 | 178.6 | -177.1 | 68.8 | 175.7 | 109.2 | -1.4 | 111.9 | E212 Q378 R383 | E212-R381 HydrophobicContact CB-CG 3.84Å; E212-R381 HydrophobicContact CG-CG 4.11Å; E212-R381 WeakPolarHBondContact O-CG 3.41Å; E212-R381 IonicContact OE1-NH1 3.19Å; Q378-R381 PolarHBondContact O-N 2.99Å; Q378-R381 VanDerWaalsContact O-N 3.14Å; R381-R383 VanDerWaalsContact C-N 3.26Å |
| 382 | L | 96.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -80.7 | -7.2 | 179.3 | -68 | 164.5 | 0 | 0 | 0 | 113.2 | E212 V213 A253 A254 R257 D258 Q378 A379 V384 M403 | E212-L382 HydrophobicContact CB-CD2 3.75Å; E212-L382 HydrophobicContact CB-CG 4.48Å; V213-L382 HydrophobicContact CG1-CD1 3.86Å; V213-L382 HydrophobicContact CG1-CD2 3.81Å; V213-L382 HydrophobicContact CG1-CG 4.26Å; A253-L382 HydrophobicContact CB-CD1 3.81Å; A253-L382 WeakPolarHBondContact O-CD1 3.3Å; A254-L382 HydrophobicContact CB-CD2 4.29Å; R257-L382 WeakPolarHBondContact CA-O 3.47Å; R257-L382 HydrophobicContact CB-CD2 4.38Å; R257-L382 HydrophobicContact CG-CD2 4.24Å; R257-L382 WeakPolarHBondContact CG-O 3.43Å; D258-L382 PolarHBondContact N-O 3.46Å; Q378-L382 HydrophobicContact CB-CD1 4.46Å; Q378-L382 WeakPolarHBondContact O-CG 3.14Å; Q378-L382 PolarHBondContact O-N 3.19Å; A379-L382 CarbonylContact O-C 3.6Å; A379-L382 PolarHBondContact O-N 3.09Å; L382-V384 VanDerWaalsContact C-N 3.33Å; L382-V384 HydrophobicContact CB-CG2 3.75Å; L382-V384 PolarHBondContact O-N 3.24Å; L382-M403 HydrophobicContact CD1-CE 4.41Å; L382-M403 HydrophobicContact CD1-SD 4.32Å |
| 383 | R | 95.9 | Very high | 86.2 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 39.4 | -179.3 | -57.6 | 179.6 | -64.1 | -78.5 | -4 | 113.3 | E212 D258 A379 R380 R381 R385 | E212-R383 IonicContact OE1-NH1 2.63Å; D258-R383 IonicContact OD1-CZ 3.53Å; D258-R383 IonicContact OD1-NE 3.87Å; D258-R383 PolarHBondContact OD1-NE 2.72Å; D258-R383 IonicContact OD1-NH2 2.74Å; D258-R383 PolarHBondContact OD1-NH2 3.35Å; D258-R383 IonicContact OD2-CZ 2.65Å; D258-R383 IonicContact OD2-NE 2.65Å; D258-R383 IonicContact OD2-NH2 3.72Å; D258-R383 PolarHBondContact OD2-NH2 2.97Å; A379-R383 CarbonylContact O-C 3.57Å; A379-R383 WeakPolarHBondContact O-CA 3.32Å; A379-R383 PolarHBondContact O-N 2.83Å; R380-R383 PolarHBondContact O-N 2.85Å; R381-R383 VanDerWaalsContact C-N 3.26Å; R383-R385 PolarHBondContact O-N 3.03Å; R383-R385 PolarHBondContact O-NH1 2.9Å |
| 384 | V | 97.2 | Very high | 84 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -89.5 | 98.5 | 176.5 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | H256 L261 F305 A379 L382 F400 V401 M403 | H256-V384 HydrophobicContact CB-CG1 3.99Å; H256-V384 HydrophobicContact CB-CG2 4.41Å; H256-V384 WeakPolarHBondContact O-CG2 3.42Å; L261-V384 HydrophobicContact CD1-CG1 3.62Å; L261-V384 HydrophobicContact CG-CG1 3.86Å; F305-V384 HydrophobicContact CD1-CG1 4.38Å; F305-V384 HydrophobicContact CE1-CG1 4.4Å; A379-V384 HydrophobicContact CB-CB 4.31Å; A379-V384 PolarHBondContact O-N 3.17Å; L382-V384 VanDerWaalsContact C-N 3.33Å; L382-V384 HydrophobicContact CB-CG2 3.75Å; L382-V384 PolarHBondContact O-N 3.24Å; V384-F400 WeakPolarHBondContact O-CD1 3.39Å; V384-V401 HydrophobicContact CB-CG2 4.07Å; V384-V401 HydrophobicContact CG1-CG2 3.66Å; V384-V401 PolarHBondContact O-N 3.14Å; V384-M403 HydrophobicContact CB-CE 3.59Å; V384-M403 HydrophobicContact CG1-CE 4Å; V384-M403 HydrophobicContact CG2-CE 3.41Å; V384-M403 VanDerWaalsContact CG2-CE 3.41Å | ||
| 385 | R | 96 | Very high | 82 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 151.6 | -167 | -61.4 | 169.8 | -170.4 | 92.1 | -9.3 | 111.3 | E259 W260 L261 R383 V398 F400 | E259-R385 PolarHBondContact O-N 3.16Å; W260-R385 HydrophobicContact CD2-CB 3.65Å; W260-R385 HydrophobicContact CD2-CG 4.36Å; W260-R385 HydrophobicContact CE3-CB 3.49Å; W260-R385 VanDerWaalsContact CE3-CB 3.49Å; W260-R385 HydrophobicContact CE3-CG 4.46Å; W260-R385 HydrophobicContact CG-CB 4.22Å; W260-R385 HydrophobicContact CH2-CB 4.23Å; W260-R385 HydrophobicContact CH2-CG 4.49Å; W260-R385 HydrophobicContact CZ2-CB 4.38Å; W260-R385 HydrophobicContact CZ2-CG 4.38Å; W260-R385 HydrophobicContact CZ3-CB 3.79Å; L261-R385 PolarHBondContact N-O 3.4Å; R383-R385 PolarHBondContact O-N 3.03Å; R383-R385 PolarHBondContact O-NH1 2.9Å; R385-V398 HydrophobicContact CB-CG1 4.14Å; R385-V398 HydrophobicContact CG-CG1 3.58Å; R385-F400 HydrophobicContact CG-CD1 3.94Å; R385-F400 HydrophobicContact CG-CE1 3.69Å |
| 386 | Y | 95.6 | Very high | 80.4 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.8 | 178.2 | 174.5 | -104 | 0 | 0 | 0 | 111.1 | K263 L266 S307 P308 H309 E399 V401 | K263-Y386 HydrophobicContact CB-CE2 4.45Å; K263-Y386 HydrophobicContact CD-CE1 4.14Å; K263-Y386 WeakPolarHBondContact CD-OH 3.44Å; K263-Y386 HydrophobicContact CG-CE1 4.2Å; K263-Y386 HydrophobicContact CG-CE2 3.98Å; L266-Y386 HydrophobicContact CD1-CD2 3.57Å; L266-Y386 HydrophobicContact CD1-CE2 3.65Å; S307-Y386 PolarHBondContact OG-OH 3.1Å; P308-Y386 VanDerWaalsContact CD-CD2 3.47Å; P308-Y386 HydrophobicContact CG-CD1 4.06Å; P308-Y386 HydrophobicContact CG-CD2 4.3Å; P308-Y386 HydrophobicContact CG-CG 3.94Å; H309-Y386 AromaticContact CD2-CE1 3.54Å; H309-Y386 AromaticContact CD2-CZ 3.67Å; H309-Y386 PolarHBondContact CD2-OH 3.27Å; H309-Y386 AromaticContact NE2-CD1 3.99Å; H309-Y386 AromaticContact NE2-CE1 3.17Å; H309-Y386 WeakPolarHBondContact NE2-CE1 3.47Å; H309-Y386 AromaticContact NE2-CZ 3.81Å; Y386-E399 HydrophobicContact CD1-CB 4.39Å; Y386-E399 PolarHBondContact N-O 3.16Å; Y386-V401 HydrophobicContact CD2-CG1 4.23Å |
| 387 | G | 88.9 | Confident | 79.5 | Confident | 5 Ų | 5 | 72 Ų | 72 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 90.8 | -157.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L261 | L261-G387 PolarHBondContact O-N 3.45Š|
| 388 | Q | 74.3 | Confident | 79 | Confident | 128 Ų | 128 | 74.3 Ų | 74.3 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | trans | -117.6 | 146.3 | -178.3 | -67 | -176.7 | 2.9 | 0 | 0 | 111.2 | K390 | Q388-K390 VanDerWaalsContact C-N 3.25Å; Q388-K390 PolarHBondContact O-N 3.41Å | ||
| 389 | T | 68.1 | Low | 78.8 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -59 | -29.5 | 178 | 47.7 | 0 | 0 | 0 | 0 | 114.5 | W260 K391 M392 | W260-T389 HydrophobicContact CD2-CG2 3.78Å; W260-T389 HydrophobicContact CE3-CG2 4.39Å; W260-T389 HydrophobicContact CG-CG2 4.2Å; W260-T389 HydrophobicContact CH2-CG2 4.17Å; W260-T389 HydrophobicContact CZ2-CG2 3.51Å; T389-K391 PolarHBondContact O-N 2.98Å; T389-M392 PolarHBondContact O-N 3.44Å |
| 390 | K | 58.2 | Low | 78.7 | Confident | 185 Ų | 185 | 79.4 Ų | 79.4 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -65.3 | -6 | -165.1 | -67.5 | -172.6 | 179.4 | -179.8 | 0 | 116 | Q388 | Q388-K390 VanDerWaalsContact C-N 3.25Å; Q388-K390 PolarHBondContact O-N 3.41Å |
| 391 | K | 54.7 | Low | 78.8 | Confident | 183 Ų | 183 | 77.3 Ų | 77.3 | 80% | 0.796 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -114.3 | -7.8 | -179.4 | -70 | -170.1 | 178 | -176.5 | 0 | 114.9 | T389 Q393 | T389-K391 PolarHBondContact O-N 2.98Å; K391-Q393 PolarHBondContact O-N 2.78Å; K391-Q393 VanDerWaalsContact O-N 3.07Å |
| 392 | M | 59 | Low | 79 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 32% | 0.32 | 38% | 0.379 | S | S | . | . | trans | -71.4 | 111.3 | -177.4 | -73.1 | -168.1 | 178.8 | 0 | 0 | 110.3 | W260 T389 E396 V398 | W260-M392 HydrophobicContact CH2-CE 3.62Å; W260-M392 HydrophobicContact CH2-SD 3.73Å; W260-M392 HydrophobicContact CZ3-CE 3.63Å; W260-M392 HydrophobicContact CZ3-SD 4.3Å; T389-M392 PolarHBondContact O-N 3.44Å; M392-E396 WeakPolarHBondContact CA-OE2 3.49Å; M392-E396 HydrophobicContact CG-CB 4.42Å; M392-V398 HydrophobicContact CE-CB 4.37Å; M392-V398 HydrophobicContact CE-CG1 4.49Å; M392-V398 HydrophobicContact CE-CG2 4.19Å; M392-V398 HydrophobicContact SD-CG2 3.86Å | ||
| 393 | Q | 52.7 | Low | 79.2 | Confident | 150 Ų | 150 | 75.8 Ų | 75.8 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | trans | -68.5 | 152.6 | 165 | -63.5 | -175.7 | 13.5 | 0 | 0 | 109 | K391 G395 E396 | K391-Q393 PolarHBondContact O-N 2.78Å; K391-Q393 VanDerWaalsContact O-N 3.07Å; Q393-G395 PolarHBondContact O-N 2.7Å; Q393-E396 HydrophobicContact CB-CG 4.47Å; Q393-E396 PolarHBondContact O-N 2.9Å | ||
| 394 | D | 51.5 | Low | 79.3 | Confident | 182 Ų | 182 | 72.5 Ų | 72.5 | 97% | 0.973 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 112.5 | 173.7 | -84.5 | -29.1 | 0 | 0 | 0 | 110 | ||
| 395 | G | 56.9 | Low | 79.4 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 78% | 0.784 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -4.7 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q393 | Q393-G395 PolarHBondContact O-N 2.7Š|
| 396 | E | 64.9 | Low | 79.5 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | trans | -68.3 | 137.7 | 171.5 | -79.8 | -171.8 | 166.4 | 0 | 0 | 111.8 | M392 Q393 | M392-E396 WeakPolarHBondContact CA-OE2 3.49Å; M392-E396 HydrophobicContact CG-CB 4.42Å; Q393-E396 HydrophobicContact CB-CG 4.47Å; Q393-E396 PolarHBondContact O-N 2.9Å | ||
| 397 | H | 77.3 | Confident | 79.6 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | trans | -70.5 | 131.1 | 178.2 | -74.8 | -86.8 | 0 | 0 | 0 | 110.5 | D6 E399 | D6-H397 IonicContact OD2-CE1 3.68Å; D6-H397 PolarHBondContact OD2-CE1 2.93Å; D6-H397 IonicContact OD2-ND1 3.24Å; D6-H397 PolarHBondContact OD2-ND1 2.95Å; D6-H397 VanDerWaalsContact OD2-ND1 3.16Å; H397-E399 PolarHBondContact O-N 3.03Å | ||
| 398 | V | 87.3 | Confident | 80.1 | Confident | 52 Ų | 52 | 69.7 Ų | 69.7 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | trans | -73.3 | 115.2 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 109 | W260 R385 M392 F400 | W260-V398 HydrophobicContact CH2-CG1 4.03Å; W260-V398 HydrophobicContact CH2-CG2 4.38Å; W260-V398 HydrophobicContact CZ3-CG1 4.49Å; R385-V398 HydrophobicContact CB-CG1 4.14Å; R385-V398 HydrophobicContact CG-CG1 3.58Å; M392-V398 HydrophobicContact CE-CB 4.37Å; M392-V398 HydrophobicContact CE-CG1 4.49Å; M392-V398 HydrophobicContact CE-CG2 4.19Å; M392-V398 HydrophobicContact SD-CG2 3.86Å; V398-F400 HydrophobicContact CG1-CE1 4.34Å; V398-F400 HydrophobicContact CG1-CE2 4.27Å; V398-F400 HydrophobicContact CG1-CZ 4.01Å; V398-F400 WeakPolarHBondContact O-CE2 3.22Å | ||
| 399 | E | 92.3 | Very high | 81.2 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 39% | 0.388 | 33% | 0.328 | S | S | . | . | trans | -83.8 | 144.7 | 172.4 | -61.9 | -174.1 | 102.8 | 0 | 0 | 110.8 | H309 Y386 H397 | H309-E399 VanDerWaalsContact CE1-CD 3.5Å; H309-E399 IonicContact CE1-OE1 3.84Å; H309-E399 PolarHBondContact CE1-OE1 3.32Å; H309-E399 IonicContact CE1-OE2 2.71Å; H309-E399 PolarHBondContact CE1-OE2 3.04Å; H309-E399 VanDerWaalsContact CE1-OE2 3.24Å; H309-E399 IonicContact ND1-OE1 2.67Å; H309-E399 IonicContact NE2-OE2 3.66Å; Y386-E399 HydrophobicContact CD1-CB 4.39Å; Y386-E399 PolarHBondContact N-O 3.16Å; H397-E399 PolarHBondContact O-N 3.03Å | ||
| 400 | F | 96.1 | Very high | 82.7 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -112.2 | 151.4 | 177.5 | -62.2 | -87.6 | 0 | 0 | 0 | 109.5 | P308 D376 A379 R380 V384 R385 V398 | P308-F400 WeakPolarHBondContact CB-O 3.06Å; P308-F400 WeakPolarHBondContact CG-O 3.42Å; D376-F400 HydrophobicContact CB-CB 4.08Å; A379-F400 HydrophobicContact CB-CB 3.89Å; R380-F400 HydrophobicContact CB-CD2 4.27Å; R380-F400 HydrophobicContact CB-CE2 4.42Å; R380-F400 HydrophobicContact CB-CG 4.35Å; R380-F400 HydrophobicContact CG-CD2 4.3Å; R380-F400 HydrophobicContact CG-CE2 4.02Å; R380-F400 HydrophobicContact CG-CZ 4.26Å; V384-F400 WeakPolarHBondContact O-CD1 3.39Å; R385-F400 HydrophobicContact CG-CD1 3.94Å; R385-F400 HydrophobicContact CG-CE1 3.69Å; V398-F400 HydrophobicContact CG1-CE1 4.34Å; V398-F400 HydrophobicContact CG1-CE2 4.27Å; V398-F400 HydrophobicContact CG1-CZ 4.01Å; V398-F400 WeakPolarHBondContact O-CE2 3.22Å |
| 401 | V | 98.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -66.7 | 159.5 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | L261 L266 F305 T306 A379 V384 Y386 M403 | L261-V401 HydrophobicContact CB-CG1 4.18Å; L261-V401 HydrophobicContact CD1-CG1 4.08Å; L261-V401 HydrophobicContact CD1-CG2 4.27Å; L266-V401 HydrophobicContact CD1-CG1 4Å; L266-V401 HydrophobicContact CD2-CG1 4.46Å; F305-V401 HydrophobicContact CD1-CG2 4.02Å; T306-V401 WeakPolarHBondContact O-CB 3.28Å; A379-V401 HydrophobicContact CB-CG2 4Å; A379-V401 WeakPolarHBondContact CB-O 3.29Å; V384-V401 HydrophobicContact CB-CG2 4.07Å; V384-V401 HydrophobicContact CG1-CG2 3.66Å; V384-V401 PolarHBondContact O-N 3.14Å; Y386-V401 HydrophobicContact CD2-CG1 4.23Å; V401-M403 HydrophobicContact CG2-CE 4.12Å; V401-M403 HydrophobicContact CG2-CG 4.48Å | ||
| 402 | H | 98.6 | Very high | 86.7 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 134.5 | 169.2 | -77.5 | -171.1 | 0 | 0 | 0 | 110.6 | F305 T306 S313 T375 D376 | F305-H402 CarbonylContact C-O 3.58Å; F305-H402 WeakPolarHBondContact CA-O 3.45Å; T306-H402 PolarHBondContact N-O 3Å; T306-H402 PolarHBondContact O-N 2.95Å; T306-H402 VanDerWaalsContact OG1-CB 3.27Å; T306-H402 WeakPolarHBondContact OG1-CB 3.11Å; T306-H402 PolarHBondContact OG1-O 3.28Å; S313-H402 VanDerWaalsContact CB-ND1 3.34Å; S313-H402 WeakPolarHBondContact CB-ND1 3.33Å; S313-H402 PolarHBondContact OG-ND1 3.29Å; T375-H402 CarbonylContact O-C 3.6Å; T375-H402 VanDerWaalsContact O-CA 3.3Å; T375-H402 WeakPolarHBondContact O-CA 3.27Å; D376-H402 PolarHBondContact N-CD2 2.86Å |
| 403 | M | 98.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.1 | 179.6 | -65.4 | -178.5 | 178.7 | 0 | 0 | 111 | F303 C304 F305 C374 T375 Q378 A379 L382 V384 V401 | F303-M403 HydrophobicContact CE1-CB 4.26Å; F303-M403 HydrophobicContact CE1-CG 4.31Å; F303-M403 HydrophobicContact CZ-CB 4.01Å; F303-M403 HydrophobicContact CZ-CG 4.27Å; F303-M403 HydrophobicContact CZ-SD 4.16Å; C304-M403 WeakPolarHBondContact O-CA 3.29Å; F305-M403 HydrophobicContact CD1-CE 3.74Å; F305-M403 HydrophobicContact CD1-CG 4.08Å; F305-M403 HydrophobicContact CE1-CE 3.35Å; F305-M403 HydrophobicContact CE1-CG 4.24Å; F305-M403 HydrophobicContact CE1-SD 4.17Å; F305-M403 HydrophobicContact CZ-CE 4.4Å; C374-M403 WeakPolarHBondContact CA-O 3.44Å; C374-M403 WeakPolarHBondContact CB-O 3.33Å; C374-M403 PolarHBondContact N-O 3.35Å; T375-M403 PolarHBondContact O-N 3.28Å; Q378-M403 HydrophobicContact CB-CB 4.47Å; Q378-M403 HydrophobicContact CB-SD 3.61Å; A379-M403 HydrophobicContact CB-CE 3.64Å; A379-M403 HydrophobicContact CB-CG 4.25Å; A379-M403 HydrophobicContact CB-SD 4.09Å; L382-M403 HydrophobicContact CD1-CE 4.41Å; L382-M403 HydrophobicContact CD1-SD 4.32Å; V384-M403 HydrophobicContact CB-CE 3.59Å; V384-M403 HydrophobicContact CG1-CE 4Å; V384-M403 HydrophobicContact CG2-CE 3.41Å; V384-M403 VanDerWaalsContact CG2-CE 3.41Å; V401-M403 HydrophobicContact CG2-CE 4.12Å; V401-M403 HydrophobicContact CG2-CG 4.48Å |
| 404 | L | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.2 | 177.4 | -61.1 | 95.2 | 0 | 0 | 0 | 110.2 | F303 C304 T306 S313 M316 L317 M320 S372 N373 | F303-L404 CarbonylContact C-O 3.53Å; F303-L404 WeakPolarHBondContact CA-O 3.44Å; C304-L404 HydrophobicContact CB-CB 4.43Å; C304-L404 PolarHBondContact N-O 2.87Å; C304-L404 PolarHBondContact O-N 2.99Å; T306-L404 HydrophobicContact CG2-CD1 3.75Å; S313-L404 WeakPolarHBondContact O-CD2 3.47Å; M316-L404 HydrophobicContact CB-CD1 4.41Å; M316-L404 HydrophobicContact CB-CD2 4.34Å; M316-L404 HydrophobicContact CG-CD1 4.22Å; M316-L404 HydrophobicContact CG-CD2 4.36Å; L317-L404 HydrophobicContact CB-CD2 3.79Å; M320-L404 HydrophobicContact CE-CB 4.09Å; M320-L404 HydrophobicContact SD-CB 3.56Å; M320-L404 VanDerWaalsContact SD-CB 3.56Å; M320-L404 HydrophobicContact SD-CD2 4.26Å; M320-L404 HydrophobicContact SD-CG 4.49Å; S372-L404 WeakPolarHBondContact O-CA 3.41Å; N373-L404 HydrophobicContact CB-CD2 3.66Å; N373-L404 HydrophobicContact CB-CG 4.14Å |
| 405 | N | 98.7 | Very high | 93 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.3 | 175.8 | 59.8 | 66.4 | 0 | 0 | 0 | 110.5 | E249 Q302 F303 C371 S372 C374 | E249-N405 HydrophobicContact CB-CB 4.4Å; E249-N405 HydrophobicContact CG-CB 3.74Å; E249-N405 PolarHBondContact OE1-ND2 2.83Å; Q302-N405 CarbonylContact O-C 3.55Å; Q302-N405 WeakPolarHBondContact O-CA 3.3Å; F303-N405 HydrophobicContact CD2-CB 3.98Å; F303-N405 HydrophobicContact CE2-CB 4.29Å; C371-N405 CarbonylContact C-O 3.49Å; C371-N405 WeakPolarHBondContact CA-O 3.46Å; S372-N405 PolarHBondContact N-O 3.18Å; S372-N405 PolarHBondContact O-N 2.99Å; S372-N405 VanDerWaalsContact O-N 3.11Å; C374-N405 PolarHBondContact SG-ND2 3.13Å; C374-N405 VanDerWaalsContact SG-ND2 3.44Å |
| 406 | G | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 127 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q302 S370 C371 M408 | Q302-G406 WeakPolarHBondContact CA-O 3.46Å; Q302-G406 WeakPolarHBondContact CB-O 3.02Å; Q302-G406 PolarHBondContact N-O 3.03Å; Q302-G406 PolarHBondContact O-N 2.83Å; S370-G406 WeakPolarHBondContact O-CA 3.35Å; C371-G406 VanDerWaalsContact SG-CA 3.58Å; G406-M408 PolarHBondContact O-N 3.34Å |
| 407 | T | 98.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 8% | 0.08 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 129.1 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | K299 E301 V369 S370 A410 | K299-T407 HydrophobicContact CD-CG2 3.87Å; K299-T407 HydrophobicContact CG-CG2 4.01Å; E301-T407 VanDerWaalsContact OE2-CA 3.27Å; E301-T407 WeakPolarHBondContact OE2-CA 3.49Å; E301-T407 PolarHBondContact OE2-OG1 3.41Å; V369-T407 WeakPolarHBondContact CG1-O 3.37Å; V369-T407 HydrophobicContact CG2-CG2 4.45Å; V369-T407 VanDerWaalsContact CG2-O 3.3Å; V369-T407 WeakPolarHBondContact CG2-O 3.31Å; S370-T407 PolarHBondContact O-N 2.95Å; S370-T407 VanDerWaalsContact O-N 3.16Å; T407-A410 HydrophobicContact CG2-CB 4.2Å |
| 408 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -45.8 | 167.2 | -174.9 | 64.2 | 166.4 | 0 | 0 | 110.7 | A187 T190 L191 I300 Q302 F327 G406 | A187-M408 HydrophobicContact CB-CG 4.02Å; T190-M408 HydrophobicContact CG2-CE 3.52Å; L191-M408 HydrophobicContact CD1-CB 4.01Å; L191-M408 HydrophobicContact CD1-CG 3.93Å; L191-M408 HydrophobicContact CD2-CE 3.95Å; L191-M408 HydrophobicContact CD2-CG 4.34Å; L191-M408 HydrophobicContact CD2-SD 3.97Å; L191-M408 HydrophobicContact CG-CE 4.08Å; L191-M408 HydrophobicContact CG-CG 4.1Å; L191-M408 HydrophobicContact CG-SD 4.31Å; I300-M408 HydrophobicContact CB-CB 4.29Å; I300-M408 HydrophobicContact CG2-CB 4.12Å; I300-M408 WeakPolarHBondContact O-CA 3.36Å; I300-M408 WeakPolarHBondContact O-CB 3.28Å; I300-M408 PolarHBondContact O-N 2.95Å; Q302-M408 HydrophobicContact CG-CB 4.25Å; F327-M408 HydrophobicContact CB-CE 3.46Å; F327-M408 VanDerWaalsContact CB-CE 3.46Å; F327-M408 HydrophobicContact CB-SD 4.01Å; F327-M408 WeakPolarHBondContact CD1-O 3.38Å; F327-M408 HydrophobicContact CD2-CE 3.84Å; F327-M408 HydrophobicContact CG-CE 3.82Å; F327-M408 HydrophobicContact CG-SD 4.34Å; G406-M408 PolarHBondContact O-N 3.34Å |
| 409 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 116 | -178.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | A187 K299 I300 F327 | A187-C409 HydrophobicContact CB-CB 4.01Å; K299-C409 CarbonylContact C-O 3.37Å; K299-C409 WeakPolarHBondContact CA-O 3.4Å; I300-C409 HydrophobicContact CB-CB 4.41Å; I300-C409 PolarHBondContact N-O 3.37Å; I300-C409 PolarHBondContact O-N 3.18Å; I300-C409 VanDerWaalsContact O-N 3.16Å; F327-C409 HydrophobicContact CE1-CB 3.77Å; F327-C409 HydrophobicContact CZ-CB 3.85Å |
| 410 | A | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 5.4 Ų | 5.4 | 6% | 0.058 | 3% | 0.026 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 102 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | K299 T407 T412 R413 V414 | K299-A410 HydrophobicContact CG-CB 4.45Å; T407-A410 HydrophobicContact CG2-CB 4.2Å; A410-T412 PolarHBondContact O-N 3.32Å; A410-R413 PolarHBondContact O-N 3.42Å; A410-R413 VanDerWaalsContact O-N 3.13Å; A410-V414 WeakPolarHBondContact O-CG2 3.12Å; A410-V414 PolarHBondContact O-N 3.25Å |
| 411 | T | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.7 | -50.4 | -157.8 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | E180 I184 E298 R413 V414 I415 | E180-T411 HydrophobicContact CG-CG2 3.97Å; E180-T411 PolarHBondContact OE2-OG1 3.2Å; E180-T411 VanDerWaalsContact OE2-OG1 3.13Å; I184-T411 HydrophobicContact CD1-CG2 4.23Å; I184-T411 HydrophobicContact CG1-CG2 3.76Å; E298-T411 HydrophobicContact CB-CG2 3.8Å; E298-T411 PolarHBondContact O-N 3.16Å; E298-T411 PolarHBondContact O-OG1 3.2Å; T411-R413 PolarHBondContact O-N 2.87Å; T411-V414 PolarHBondContact O-N 3.03Å; T411-V414 VanDerWaalsContact O-N 3.16Å; T411-I415 VanDerWaalsContact O-CG1 3.3Å; T411-I415 WeakPolarHBondContact O-CG1 3.14Å; T411-I415 PolarHBondContact O-N 3.37Å |
| 412 | T | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 6.6 Ų | 6.6 | 1% | 0.006 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | -177.2 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | I291 V294 F297 A410 I415 C416 | I291-T412 VanDerWaalsContact O-CB 3.28Å; I291-T412 WeakPolarHBondContact O-CB 3.25Å; I291-T412 PolarHBondContact O-OG1 3.05Å; V294-T412 HydrophobicContact CG2-CG2 4.49Å; F297-T412 HydrophobicContact CB-CG2 3.99Å; A410-T412 PolarHBondContact O-N 3.32Å; T412-I415 PolarHBondContact O-N 2.93Å; T412-C416 PolarHBondContact O-N 2.74Å; T412-C416 PolarHBondContact O-SG 2.64Å |
| 413 | R | 98.5 | Very high | 98.6 | Very high | 35 Ų | 35 | 5.9 Ų | 5.9 | 13% | 0.132 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -68.6 | -37.3 | 177.4 | -64.3 | -168.1 | 176.3 | -177.2 | 8.2 | 112.2 | F292 E367 L368 A410 T411 C416 A417 | F292-R413 HydrophobicContact CD2-CB 4.13Å; F292-R413 HydrophobicContact CD2-CG 3.9Å; F292-R413 HydrophobicContact CE2-CB 3.95Å; F292-R413 HydrophobicContact CE2-CG 3.82Å; F292-R413 HydrophobicContact CG-CG 4.4Å; F292-R413 HydrophobicContact CZ-CG 4.23Å; F292-R413 WeakPolarHBondContact O-CG 3.31Å; F292-R413 PolarHBondContact O-NE 3.08Å; E367-R413 PolarHBondContact O-NH1 3.35Å; L368-R413 HydrophobicContact CD2-CB 3.57Å; A410-R413 PolarHBondContact O-N 3.42Å; A410-R413 VanDerWaalsContact O-N 3.13Å; T411-R413 PolarHBondContact O-N 2.87Å; R413-C416 WeakPolarHBondContact O-CB 2.94Å; R413-C416 PolarHBondContact O-N 2.7Å; R413-A417 PolarHBondContact O-N 3.2Å |
| 414 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.9 | -38.4 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 111 | L183 Y328 L331 I333 L368 A410 T411 C416 A417 I418 | L183-V414 HydrophobicContact CD1-CB 4.19Å; L183-V414 HydrophobicContact CD1-CG1 4.04Å; L183-V414 HydrophobicContact CD2-CG1 3.65Å; Y328-V414 HydrophobicContact CE1-CG1 4.39Å; Y328-V414 HydrophobicContact CE1-CG2 3.88Å; Y328-V414 WeakPolarHBondContact OH-CG2 3.23Å; L331-V414 HydrophobicContact CD1-CG1 3.78Å; I333-V414 HydrophobicContact CD1-CG1 4.24Å; L368-V414 HydrophobicContact CD1-CG2 4.43Å; A410-V414 WeakPolarHBondContact O-CG2 3.12Å; A410-V414 PolarHBondContact O-N 3.25Å; T411-V414 PolarHBondContact O-N 3.03Å; T411-V414 VanDerWaalsContact O-N 3.16Å; V414-C416 VanDerWaalsContact C-N 3.31Å; V414-C416 PolarHBondContact O-N 3.06Å; V414-A417 WeakPolarHBondContact O-CB 3.41Å; V414-A417 PolarHBondContact O-N 3.18Å; V414-A417 VanDerWaalsContact O-N 3.13Å; V414-I418 HydrophobicContact CG1-CD1 4.13Å; V414-I418 HydrophobicContact CG1-CG1 4.49Å; V414-I418 WeakPolarHBondContact O-CG1 3.49Å; V414-I418 PolarHBondContact O-N 3.05Å |
| 415 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56 | -48 | 170.2 | -70.6 | 168.1 | 0 | 0 | 0 | 110 | L172 L176 L179 E180 L183 I291 T411 T412 A417 I418 L419 | L172-I415 HydrophobicContact CD2-CD1 4.48Å; L176-I415 HydrophobicContact CD1-CG2 4.15Å; L176-I415 HydrophobicContact CD2-CG2 4.01Å; L179-I415 HydrophobicContact CD2-CG1 4.15Å; L179-I415 HydrophobicContact CD2-CG2 4.26Å; L179-I415 HydrophobicContact CG-CG1 4.36Å; E180-I415 HydrophobicContact CB-CD1 3.91Å; L183-I415 HydrophobicContact CD1-CD1 4.48Å; L183-I415 HydrophobicContact CD1-CG1 3.64Å; I291-I415 HydrophobicContact CD1-CG2 4.14Å; T411-I415 VanDerWaalsContact O-CG1 3.3Å; T411-I415 WeakPolarHBondContact O-CG1 3.14Å; T411-I415 PolarHBondContact O-N 3.37Å; T412-I415 PolarHBondContact O-N 2.93Å; I415-A417 VanDerWaalsContact C-N 3.28Å; I415-A417 PolarHBondContact O-N 2.86Å; I415-I418 PolarHBondContact O-N 3.38Å; I415-L419 HydrophobicContact CG2-CD1 4.02Å; I415-L419 HydrophobicContact CG2-CG 4.24Å; I415-L419 WeakPolarHBondContact O-CG 2.92Å; I415-L419 PolarHBondContact O-N 3.28Å |
| 416 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | 176.7 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | Q146 I291 F292 F359 T412 R413 V414 E420 | Q146-C416 HydrophobicContact CB-CB 3.68Å; Q146-C416 VanDerWaalsContact CD-SG 3.52Å; Q146-C416 HydrophobicContact CG-CB 3.77Å; Q146-C416 PolarHBondContact OE1-SG 2.7Å; I291-C416 VanDerWaalsContact CG1-SG 3.59Å; F292-C416 HydrophobicContact CD2-CB 4.22Å; F359-C416 HydrophobicContact CE1-CB 3.77Å; F359-C416 HydrophobicContact CZ-CB 4.35Å; T412-C416 PolarHBondContact O-N 2.74Å; T412-C416 PolarHBondContact O-SG 2.64Å; R413-C416 WeakPolarHBondContact O-CB 2.94Å; R413-C416 PolarHBondContact O-N 2.7Å; V414-C416 VanDerWaalsContact C-N 3.31Å; V414-C416 PolarHBondContact O-N 3.06Å; C416-E420 PolarHBondContact O-N 3.43Å |
| 417 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I333 F359 L368 R413 V414 I415 N421 | I333-A417 HydrophobicContact CD1-CB 3.98Å; I333-A417 HydrophobicContact CG2-CB 4.24Å; F359-A417 HydrophobicContact CE1-CB 4.2Å; F359-A417 HydrophobicContact CE2-CB 3.92Å; F359-A417 HydrophobicContact CZ-CB 3.59Å; L368-A417 HydrophobicContact CD1-CB 3.92Å; R413-A417 PolarHBondContact O-N 3.2Å; V414-A417 WeakPolarHBondContact O-CB 3.41Å; V414-A417 PolarHBondContact O-N 3.18Å; V414-A417 VanDerWaalsContact O-N 3.13Å; I415-A417 VanDerWaalsContact C-N 3.28Å; I415-A417 PolarHBondContact O-N 2.86Å; A417-N421 WeakPolarHBondContact O-CB 3.24Å; A417-N421 PolarHBondContact O-N 3.48Å; A417-N421 PolarHBondContact O-ND2 3.43Å |
| 418 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.7 | -49.1 | 175.7 | -70 | 169 | 0 | 0 | 0 | 110.4 | L179 L183 I333 V414 I415 E420 N421 Y422 P431 L434 | L179-I418 HydrophobicContact CD2-CG2 4.26Å; L183-I418 HydrophobicContact CD1-CD1 4.23Å; L183-I418 HydrophobicContact CD2-CD1 3.92Å; L183-I418 HydrophobicContact CG-CD1 4.42Å; I333-I418 HydrophobicContact CD1-CG1 3.92Å; V414-I418 HydrophobicContact CG1-CD1 4.13Å; V414-I418 HydrophobicContact CG1-CG1 4.49Å; V414-I418 WeakPolarHBondContact O-CG1 3.49Å; V414-I418 PolarHBondContact O-N 3.05Å; I415-I418 PolarHBondContact O-N 3.38Å; I418-E420 VanDerWaalsContact C-N 3.33Å; I418-E420 PolarHBondContact O-N 2.87Å; I418-N421 PolarHBondContact O-N 3.09Å; I418-Y422 HydrophobicContact CG2-CD2 4.2Å; I418-Y422 WeakPolarHBondContact O-CB 3.47Å; I418-Y422 PolarHBondContact O-N 3.36Å; I418-P431 HydrophobicContact CD1-CG 4.07Å; I418-P431 HydrophobicContact CG1-CG 4.07Å; I418-P431 HydrophobicContact CG2-CG 3.84Å; I418-L434 HydrophobicContact CD1-CD1 3.68Å |
| 419 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -51.9 | -53.6 | 178.6 | -72.7 | 175.6 | 0 | 0 | 0 | 110.3 | L149 L176 I415 Q423 V428 | L149-L419 HydrophobicContact CB-CB 4.08Å; L149-L419 HydrophobicContact CB-CD1 4.43Å; L149-L419 HydrophobicContact CB-CD2 4.42Å; L149-L419 HydrophobicContact CD1-CB 4.06Å; L149-L419 WeakPolarHBondContact CD1-O 3.23Å; L176-L419 HydrophobicContact CD1-CD1 4.37Å; L176-L419 HydrophobicContact CD2-CD2 4.16Å; I415-L419 HydrophobicContact CG2-CD1 4.02Å; I415-L419 HydrophobicContact CG2-CG 4.24Å; I415-L419 WeakPolarHBondContact O-CG 2.92Å; I415-L419 PolarHBondContact O-N 3.28Å; L419-Q423 WeakPolarHBondContact O-CB 3.41Å; L419-Q423 PolarHBondContact O-N 2.8Å; L419-Q423 VanDerWaalsContact O-N 3.14Å; L419-V428 HydrophobicContact CD2-CB 4.49Å; L419-V428 HydrophobicContact CD2-CG1 4.3Å; L419-V428 HydrophobicContact CD2-CG2 3.89Å |
| 420 | E | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | -178.4 | -73.3 | -164.2 | -159.3 | 0 | 0 | 113.2 | K142 Q146 L149 F359 P360 G361 S362 C416 I418 Q423 | K142-E420 WeakPolarHBondContact CD-O 3.13Å; Q146-E420 HydrophobicContact CB-CG 3.99Å; Q146-E420 VanDerWaalsContact N-CG 3.3Å; Q146-E420 PolarHBondContact N-OE1 2.81Å; L149-E420 HydrophobicContact CD1-CG 4.1Å; F359-E420 WeakPolarHBondContact CA-OE2 3.47Å; F359-E420 VanDerWaalsContact CB-OE2 3.31Å; F359-E420 WeakPolarHBondContact CB-OE2 3.32Å; F359-E420 HydrophobicContact CD1-CG 4.35Å; P360-E420 HydrophobicContact CG-CB 4.07Å; P360-E420 WeakPolarHBondContact CG-O 3.31Å; G361-E420 VanDerWaalsContact CA-OE2 3.27Å; G361-E420 WeakPolarHBondContact CA-OE2 3.49Å; G361-E420 PolarHBondContact N-OE2 2.97Å; S362-E420 PolarHBondContact N-OE2 2.78Å; S362-E420 PolarHBondContact OG-OE1 2.96Å; C416-E420 PolarHBondContact O-N 3.43Å; I418-E420 VanDerWaalsContact C-N 3.33Å; I418-E420 PolarHBondContact O-N 2.87Å; E420-Q423 PolarHBondContact O-NE2 3.05Å |
| 421 | N | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 23.6 Ų | 23.6 | 13% | 0.128 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -75.4 | -27.2 | -175.4 | -78.2 | -75.8 | 0 | 0 | 0 | 113.4 | K142 P334 W358 A417 I418 | K142-N421 WeakPolarHBondContact CE-O 3.37Å; K142-N421 PolarHBondContact NZ-O 3.07Å; P334-N421 WeakPolarHBondContact CD-OD1 3.43Å; P334-N421 WeakPolarHBondContact CG-OD1 3.3Å; W358-N421 PolarHBondContact O-ND2 3.39Å; A417-N421 WeakPolarHBondContact O-CB 3.24Å; A417-N421 PolarHBondContact O-N 3.48Å; A417-N421 PolarHBondContact O-ND2 3.43Å; I418-N421 PolarHBondContact O-N 3.09Å |
| 422 | Y | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 9% | 0.094 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -108.6 | 4.6 | -176 | -74.3 | -97.3 | 0 | 0 | 0 | 115 | L331 E332 I418 I429 P431 | L331-Y422 VanDerWaalsContact O-CE2 3.28Å; L331-Y422 WeakPolarHBondContact O-CE2 3.19Å; L331-Y422 PolarHBondContact O-OH 3.45Å; E332-Y422 WeakPolarHBondContact CB-OH 3.37Å; E332-Y422 PolarHBondContact OE2-OH 2.93Å; I418-Y422 HydrophobicContact CG2-CD2 4.2Å; I418-Y422 WeakPolarHBondContact O-CB 3.47Å; I418-Y422 PolarHBondContact O-N 3.36Å; Y422-I429 WeakPolarHBondContact CB-O 3.38Å; Y422-I429 HydrophobicContact CD1-CB 3.99Å; Y422-I429 HydrophobicContact CD1-CG2 4Å; Y422-I429 PolarHBondContact O-N 2.92Å; Y422-P431 HydrophobicContact CD2-CG 4.07Å; Y422-P431 HydrophobicContact CE1-CB 4.3Å; Y422-P431 HydrophobicContact CE1-CG 4.19Å; Y422-P431 HydrophobicContact CE2-CB 4.29Å; Y422-P431 HydrophobicContact CE2-CG 3.7Å; Y422-P431 HydrophobicContact CG-CG 4.45Å |
| 423 | Q | 98.1 | Very high | 98.2 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -57.6 | 141.3 | 173.8 | 72.5 | -173.1 | -83 | 0 | 0 | 112.3 | K142 Y144 L149 L419 E420 | K142-Q423 HydrophobicContact CB-CG 4.09Å; K142-Q423 VanDerWaalsContact CB-NE2 3.3Å; K142-Q423 HydrophobicContact CD-CG 3.49Å; K142-Q423 VanDerWaalsContact CD-CG 3.49Å; K142-Q423 HydrophobicContact CG-CG 4.42Å; K142-Q423 PolarHBondContact NZ-O 3.45Å; Y144-Q423 PolarHBondContact O-NE2 2.91Å; L149-Q423 HydrophobicContact CD1-CB 4.15Å; L149-Q423 HydrophobicContact CD2-CB 3.71Å; L419-Q423 WeakPolarHBondContact O-CB 3.41Å; L419-Q423 PolarHBondContact O-N 2.8Å; L419-Q423 VanDerWaalsContact O-N 3.14Å; E420-Q423 PolarHBondContact O-NE2 3.05Å |
| 424 | Q | 97.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 39% | 0.388 | 15% | 0.15 | S | C | . | . | trans | -122.3 | -176.6 | 168.9 | -58.6 | -58.1 | -31.3 | 0 | 0 | 108.7 | D426 G427 I429 F445 F448 | Q424-D426 VanDerWaalsContact C-N 3.3Å; Q424-D426 PolarHBondContact O-N 2.87Å; Q424-G427 PolarHBondContact N-O 2.77Å; Q424-I429 HydrophobicContact CG-CD1 3.79Å; Q424-I429 HydrophobicContact CG-CG1 3.79Å; Q424-I429 VanDerWaalsContact NE2-CD1 3.26Å; Q424-F445 HydrophobicContact CB-CE2 4.38Å; Q424-F445 HydrophobicContact CG-CE2 4.21Å; Q424-F448 WeakPolarHBondContact O-CE2 3.44Å | ||
| 425 | D | 95.3 | Very high | 98.2 | Very high | 161 Ų | 161 | 33.1 Ų | 33.1 | 86% | 0.861 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -68.5 | -28.5 | -179.9 | -68.6 | -22.7 | 0 | 0 | 0 | 113 | ||
| 426 | D | 96.9 | Very high | 98.1 | Very high | 103 Ų | 103 | 41.3 Ų | 41.3 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -119 | 3 | -172.4 | 65.1 | -28.6 | 0 | 0 | 0 | 114.3 | Q424 F445 F448 | Q424-D426 VanDerWaalsContact C-N 3.3Å; Q424-D426 PolarHBondContact O-N 2.87Å; D426-F445 VanDerWaalsContact OD1-CZ 3.28Å; D426-F445 WeakPolarHBondContact OD1-CZ 3.49Å; D426-F448 PolarHBondContact O-N 3.19Å |
| 427 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -154 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q424 I446 F448 | Q424-G427 PolarHBondContact N-O 2.77Å; G427-I446 CarbonylContact C-O 3.58Å; G427-I446 WeakPolarHBondContact CA-O 3.47Å; G427-F448 WeakPolarHBondContact O-CZ 3.27Å |
| 428 | V | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.4 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | V153 L419 I446 F448 | V153-V428 HydrophobicContact CG1-CG2 4.13Å; L419-V428 HydrophobicContact CD2-CB 4.49Å; L419-V428 HydrophobicContact CD2-CG1 4.3Å; L419-V428 HydrophobicContact CD2-CG2 3.89Å; V428-I446 PolarHBondContact N-O 2.69Å; V428-I446 PolarHBondContact O-N 2.58Å; V428-F448 HydrophobicContact CG2-CE1 4.01Å; V428-F448 HydrophobicContact CG2-CZ 4.41Å |
| 429 | I | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 135.9 | 173.5 | -65.5 | 173.9 | 0 | 0 | 0 | 109.1 | Y422 Q424 F445 | Y422-I429 WeakPolarHBondContact CB-O 3.38Å; Y422-I429 HydrophobicContact CD1-CB 3.99Å; Y422-I429 HydrophobicContact CD1-CG2 4Å; Y422-I429 PolarHBondContact O-N 2.92Å; Q424-I429 HydrophobicContact CG-CD1 3.79Å; Q424-I429 HydrophobicContact CG-CG1 3.79Å; Q424-I429 VanDerWaalsContact NE2-CD1 3.26Å; I429-F445 HydrophobicContact CG1-CD2 3.88Å; I429-F445 HydrophobicContact CG1-CE2 4.04Å |
| 430 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 127.1 | 172 | 177 | 0 | 0 | 0 | 0 | 109.6 | H432 L434 R435 M438 F442 S444 I446 | V430-H432 PolarHBondContact O-N 3.08Å; V430-L434 HydrophobicContact CG1-CB 3.96Å; V430-R435 HydrophobicContact CB-CG 4.47Å; V430-R435 HydrophobicContact CG1-CG 4.08Å; V430-R435 PolarHBondContact O-NE 3Å; V430-R435 VanDerWaalsContact O-NE 3.13Å; V430-M438 HydrophobicContact CG1-CG 3.93Å; V430-M438 HydrophobicContact CG2-CE 4.31Å; V430-F442 VanDerWaalsContact CG2-O 3.3Å; V430-F442 WeakPolarHBondContact CG2-O 3.41Å; V430-S444 PolarHBondContact N-O 3.44Å; V430-I446 HydrophobicContact CG2-CD1 3.92Å; V430-I446 HydrophobicContact CG2-CG1 3.84Å |
| 431 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 136.8 | 174.7 | -26.7 | 32.5 | 0 | 0 | 0 | 111.6 | L331 I418 Y422 A433 L434 R435 | L331-P431 HydrophobicContact CD2-CB 4.24Å; I418-P431 HydrophobicContact CD1-CG 4.07Å; I418-P431 HydrophobicContact CG1-CG 4.07Å; I418-P431 HydrophobicContact CG2-CG 3.84Å; Y422-P431 HydrophobicContact CD2-CG 4.07Å; Y422-P431 HydrophobicContact CE1-CB 4.3Å; Y422-P431 HydrophobicContact CE1-CG 4.19Å; Y422-P431 HydrophobicContact CE2-CB 4.29Å; Y422-P431 HydrophobicContact CE2-CG 3.7Å; Y422-P431 HydrophobicContact CG-CG 4.45Å; P431-A433 PolarHBondContact O-N 3.08Å; P431-A433 VanDerWaalsContact O-N 3.13Å; P431-L434 HydrophobicContact CB-CD1 4.18Å; P431-L434 HydrophobicContact CB-CG 4.32Å; P431-L434 HydrophobicContact CG-CD1 3.96Å; P431-L434 PolarHBondContact O-N 3.03Å; P431-R435 WeakPolarHBondContact O-CG 3.48Å; P431-R435 PolarHBondContact O-N 2.97Å |
| 432 | H | 98.4 | Very high | 97.9 | Very high | 140 Ų | 140 | 58.4 Ų | 58.4 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -53.3 | -40.9 | -174.1 | -179 | -90.9 | 0 | 0 | 0 | 112.8 | V430 L434 R435 | V430-H432 PolarHBondContact O-N 3.08Å; H432-L434 PolarHBondContact O-N 3.42Å; H432-R435 PolarHBondContact O-N 3.37Å |
| 433 | A | 98.2 | Very high | 97.8 | Very high | 19 Ų | 19 | 62 Ų | 62 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -63.3 | -20.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L186 L330 P431 | L186-A433 HydrophobicContact CD1-CB 4.42Å; L186-A433 HydrophobicContact CD2-CB 3.93Å; L330-A433 HydrophobicContact CB-CB 4.41Å; L330-A433 WeakPolarHBondContact O-CB 3.2Å; P431-A433 PolarHBondContact O-N 3.08Å; P431-A433 VanDerWaalsContact O-N 3.13Å |
| 434 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -95.4 | -21 | -177.7 | -63.8 | 178.1 | 0 | 0 | 0 | 113.5 | L179 A182 L183 L186 L331 I418 V430 P431 H432 R436 F437 M438 | L179-L434 HydrophobicContact CD1-CD1 3.67Å; A182-L434 HydrophobicContact CB-CB 4.29Å; A182-L434 HydrophobicContact CB-CD2 4.09Å; L183-L434 HydrophobicContact CD2-CD1 3.88Å; L183-L434 HydrophobicContact CD2-CD2 4.04Å; L183-L434 HydrophobicContact CG-CD1 4.18Å; L183-L434 HydrophobicContact CG-CD2 4.35Å; L186-L434 HydrophobicContact CB-CD2 3.89Å; L186-L434 HydrophobicContact CD2-CD2 3.59Å; L186-L434 HydrophobicContact CD2-CG 4.37Å; L186-L434 HydrophobicContact CG-CD2 4.36Å; L331-L434 HydrophobicContact CD2-CD1 3.73Å; L331-L434 HydrophobicContact CD2-CD2 4.01Å; L331-L434 HydrophobicContact CD2-CG 3.71Å; I418-L434 HydrophobicContact CD1-CD1 3.68Å; V430-L434 HydrophobicContact CG1-CB 3.96Å; P431-L434 HydrophobicContact CB-CD1 4.18Å; P431-L434 HydrophobicContact CB-CG 4.32Å; P431-L434 HydrophobicContact CG-CD1 3.96Å; P431-L434 PolarHBondContact O-N 3.03Å; H432-L434 PolarHBondContact O-N 3.42Å; L434-R436 VanDerWaalsContact C-N 3.3Å; L434-R436 PolarHBondContact O-N 2.86Å; L434-F437 PolarHBondContact O-N 3.4Å; L434-M438 PolarHBondContact O-N 3.42Å |
| 435 | R | 98.3 | Very high | 97.8 | Very high | 78 Ų | 78 | 63 Ų | 63 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -54.3 | -42.5 | -170.1 | -57.9 | -167.2 | -179.8 | 164.3 | -0 | 113.6 | V430 P431 H432 F437 M438 E443 | V430-R435 HydrophobicContact CB-CG 4.47Å; V430-R435 HydrophobicContact CG1-CG 4.08Å; V430-R435 PolarHBondContact O-NE 3Å; V430-R435 VanDerWaalsContact O-NE 3.13Å; P431-R435 WeakPolarHBondContact O-CG 3.48Å; P431-R435 PolarHBondContact O-N 2.97Å; H432-R435 PolarHBondContact O-N 3.37Å; R435-F437 PolarHBondContact O-N 3.01Å; R435-M438 PolarHBondContact O-N 2.82Å; R435-E443 WeakPolarHBondContact CA-O 3.48Å; R435-E443 HydrophobicContact CB-CG 4.02Å; R435-E443 WeakPolarHBondContact CB-O 3.4Å; R435-E443 WeakPolarHBondContact CG-O 3.32Å |
| 436 | R | 97.6 | Very high | 98 | Very high | 171 Ų | 171 | 55.5 Ų | 55.5 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60.3 | -17.4 | 179.2 | 69.8 | 175.8 | 176.3 | 178.6 | -2.6 | 114.9 | L434 | L434-R436 VanDerWaalsContact C-N 3.3Å; L434-R436 PolarHBondContact O-N 2.86Å |
| 437 | F | 98.1 | Very high | 98.1 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -103.8 | -7.6 | 180 | -55.2 | -67.7 | 0 | 0 | 0 | 112.7 | A182 Q185 L186 L434 R435 | A182-F437 HydrophobicContact CB-CB 3.59Å; A182-F437 HydrophobicContact CB-CD2 4.5Å; A182-F437 HydrophobicContact CB-CG 4.46Å; Q185-F437 HydrophobicContact CB-CD1 3.81Å; Q185-F437 HydrophobicContact CB-CE1 3.77Å; Q185-F437 HydrophobicContact CB-CG 4.2Å; Q185-F437 HydrophobicContact CB-CZ 4.11Å; Q185-F437 HydrophobicContact CG-CD1 4.44Å; L186-F437 HydrophobicContact CB-CE2 3.94Å; L186-F437 HydrophobicContact CD1-CE2 4.19Å; L434-F437 PolarHBondContact O-N 3.4Å; R435-F437 PolarHBondContact O-N 3.01Å |
| 438 | M | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -86.6 | 151.1 | 178.5 | -66.3 | -63.4 | -76.6 | 0 | 0 | 110.3 | F178 L179 A182 V430 L434 R435 F442 I446 | F178-M438 VanDerWaalsContact C-SD 3.58Å; F178-M438 HydrophobicContact CB-CE 4.01Å; F178-M438 HydrophobicContact CB-SD 3.98Å; L179-M438 HydrophobicContact CB-CE 4.3Å; L179-M438 HydrophobicContact CB-SD 4.34Å; L179-M438 HydrophobicContact CD1-CE 4.46Å; L179-M438 HydrophobicContact CD1-SD 4.23Å; A182-M438 HydrophobicContact CB-CG 4.45Å; A182-M438 HydrophobicContact CB-SD 3.91Å; V430-M438 HydrophobicContact CG1-CG 3.93Å; V430-M438 HydrophobicContact CG2-CE 4.31Å; L434-M438 PolarHBondContact O-N 3.42Å; R435-M438 PolarHBondContact O-N 2.82Å; M438-F442 HydrophobicContact CE-CB 3.81Å; M438-I446 HydrophobicContact CE-CD1 4.3Å |
| 439 | P | 97.9 | Very high | 98 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 20% | 0.201 | 30% | 0.301 | C | S | . | . | trans | -64.6 | 155 | 168.5 | 30.4 | -36.3 | 0 | 0 | 0 | 110.4 | F178 E441 F442 E443 | F178-P439 HydrophobicContact CB-CG 4.25Å; F178-P439 HydrophobicContact CD1-CG 3.97Å; F178-P439 HydrophobicContact CD2-CG 3.79Å; F178-P439 HydrophobicContact CE1-CG 4.23Å; F178-P439 HydrophobicContact CE2-CG 4.05Å; F178-P439 HydrophobicContact CG-CG 3.74Å; F178-P439 HydrophobicContact CZ-CG 4.26Å; P439-E441 PolarHBondContact O-N 2.91Å; P439-E441 VanDerWaalsContact O-N 3.07Å; P439-F442 HydrophobicContact CG-CB 4.35Å; P439-F442 HydrophobicContact CG-CD2 3.77Å; P439-F442 CarbonylContact O-C 3.49Å; P439-F442 PolarHBondContact O-N 2.92Å; P439-E443 PolarHBondContact O-N 3.29Å | ||
| 440 | S | 97.4 | Very high | 97.9 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 70% | 0.699 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -53.3 | -33.9 | -176.9 | 52 | 0 | 0 | 0 | 0 | 113.9 | F442 | S440-F442 VanDerWaalsContact C-N 3.28Å; S440-F442 PolarHBondContact O-N 3.06Å |
| 441 | E | 96.3 | Very high | 97.6 | Very high | 146 Ų | 146 | 64.7 Ų | 64.7 | 68% | 0.682 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -64.5 | -30.2 | 179.6 | -65 | 150.1 | -164.9 | 0 | 0 | 113.2 | P439 | P439-E441 PolarHBondContact O-N 2.91Å; P439-E441 VanDerWaalsContact O-N 3.07Å |
| 442 | F | 97.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -120.8 | 16.2 | -177.1 | -56.1 | -52.2 | 0 | 0 | 0 | 112 | P175 F178 V430 M438 P439 S440 S444 F445 I446 | P175-F442 HydrophobicContact CB-CD1 4.16Å; P175-F442 HydrophobicContact CB-CD2 3.98Å; P175-F442 HydrophobicContact CB-CE1 4.19Å; P175-F442 HydrophobicContact CB-CE2 4.02Å; P175-F442 HydrophobicContact CB-CG 4.07Å; P175-F442 HydrophobicContact CB-CZ 4.13Å; F178-F442 HydrophobicContact CD2-CD2 4.21Å; F178-F442 HydrophobicContact CD2-CE2 4.37Å; V430-F442 VanDerWaalsContact CG2-O 3.3Å; V430-F442 WeakPolarHBondContact CG2-O 3.41Å; M438-F442 HydrophobicContact CE-CB 3.81Å; P439-F442 HydrophobicContact CG-CB 4.35Å; P439-F442 HydrophobicContact CG-CD2 3.77Å; P439-F442 CarbonylContact O-C 3.49Å; P439-F442 PolarHBondContact O-N 2.92Å; S440-F442 VanDerWaalsContact C-N 3.28Å; S440-F442 PolarHBondContact O-N 3.06Å; F442-S444 PolarHBondContact O-N 3.14Å; F442-F445 WeakPolarHBondContact CA-O 3.28Å; F442-I446 HydrophobicContact CB-CG1 4.28Å |
| 443 | E | 97.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -57.6 | -49.8 | -168.3 | -178.5 | 179 | 165.5 | 0 | 0 | 111.9 | R435 P439 | R435-E443 WeakPolarHBondContact CA-O 3.48Å; R435-E443 HydrophobicContact CB-CG 4.02Å; R435-E443 WeakPolarHBondContact CB-O 3.4Å; R435-E443 WeakPolarHBondContact CG-O 3.32Å; P439-E443 PolarHBondContact O-N 3.29Å |
| 444 | S | 97.7 | Very high | 96 | Very high | 64 Ų | 64 | 61 Ų | 61 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -107.3 | -19.3 | -178.2 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | V430 F442 | V430-S444 PolarHBondContact N-O 3.44Å; F442-S444 PolarHBondContact O-N 3.14Å |
| 445 | F | 98.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 23% | 0.228 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 138.7 | -167.9 | -165.2 | -104.3 | 0 | 0 | 0 | 112.3 | Q424 D426 I429 F442 P447 | Q424-F445 HydrophobicContact CB-CE2 4.38Å; Q424-F445 HydrophobicContact CG-CE2 4.21Å; D426-F445 VanDerWaalsContact OD1-CZ 3.28Å; D426-F445 WeakPolarHBondContact OD1-CZ 3.49Å; I429-F445 HydrophobicContact CG1-CD2 3.88Å; I429-F445 HydrophobicContact CG1-CE2 4.04Å; F442-F445 WeakPolarHBondContact CA-O 3.28Å; F445-P447 HydrophobicContact CD1-CB 4.4Å; F445-P447 HydrophobicContact CE1-CB 4.21Å |
| 446 | I | 98.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107 | 174.4 | -59.9 | 166.2 | 0 | 0 | 0 | 107.6 | V153 P175 G427 V428 V430 M438 F442 | V153-I446 HydrophobicContact CB-CG2 3.78Å; V153-I446 HydrophobicContact CG1-CG2 3.77Å; P175-I446 HydrophobicContact CB-CB 4.47Å; P175-I446 HydrophobicContact CB-CD1 4.13Å; P175-I446 HydrophobicContact CB-CG1 4.08Å; P175-I446 HydrophobicContact CB-CG2 3.57Å; P175-I446 HydrophobicContact CG-CG2 3.66Å; G427-I446 CarbonylContact C-O 3.58Å; G427-I446 WeakPolarHBondContact CA-O 3.47Å; V428-I446 PolarHBondContact N-O 2.69Å; V428-I446 PolarHBondContact O-N 2.58Å; V430-I446 HydrophobicContact CG2-CD1 3.92Å; V430-I446 HydrophobicContact CG2-CG1 3.84Å; M438-I446 HydrophobicContact CE-CD1 4.3Å; F442-I446 HydrophobicContact CB-CG1 4.28Å |
| 447 | P | 98.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 152.9 | -175.9 | 30.3 | -35.2 | 0 | 0 | 0 | 112.5 | F445 | F445-P447 HydrophobicContact CD1-CB 4.4Å; F445-P447 HydrophobicContact CE1-CB 4.21Å |
| 448 | F | 98 | Very high | 93.1 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | trans | -73.8 | 129.3 | 165.3 | -61.4 | -37.9 | 0 | 0 | 0 | 110.4 | L149 M152 V153 Q424 D426 G427 V428 | L149-F448 HydrophobicContact CD2-CE1 3.81Å; L149-F448 HydrophobicContact CD2-CZ 3.57Å; M152-F448 HydrophobicContact CB-CB 4.32Å; M152-F448 HydrophobicContact CB-CD1 3.41Å; M152-F448 VanDerWaalsContact CB-CD1 3.41Å; M152-F448 HydrophobicContact CB-CE1 3.85Å; M152-F448 HydrophobicContact CB-CG 3.93Å; M152-F448 HydrophobicContact CE-CD1 4Å; M152-F448 HydrophobicContact CE-CD2 3.42Å; M152-F448 VanDerWaalsContact CE-CD2 3.42Å; M152-F448 HydrophobicContact CE-CE1 3.97Å; M152-F448 HydrophobicContact CE-CE2 3.39Å; M152-F448 HydrophobicContact CE-CG 3.75Å; M152-F448 HydrophobicContact CE-CZ 3.69Å; M152-F448 CarbonylContact O-C 3.57Å; M152-F448 WeakPolarHBondContact O-CA 3.37Å; M152-F448 HydrophobicContact SD-CE1 4.45Å; M152-F448 HydrophobicContact SD-CZ 4.47Å; V153-F448 HydrophobicContact CG1-CD1 3.67Å; V153-F448 HydrophobicContact CG1-CE1 3.83Å; Q424-F448 WeakPolarHBondContact O-CE2 3.44Å; D426-F448 PolarHBondContact O-N 3.19Å; G427-F448 WeakPolarHBondContact O-CZ 3.27Å; V428-F448 HydrophobicContact CG2-CE1 4.01Å; V428-F448 HydrophobicContact CG2-CZ 4.41Å | ||
| 449 | V | 97.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | trans | -119.4 | -4.8 | 178.7 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | M152 D154 | M152-V449 PolarHBondContact O-N 2.9Å; D154-V449 HydrophobicContact CB-CG2 3.46Å; D154-V449 VanDerWaalsContact CB-CG2 3.46Å | ||
| 450 | K | 96 | Very high | 91.4 | Very high | 95 Ų | 95 | 70.3 Ų | 70.3 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -131.2 | 153.1 | 176 | -72.8 | 180 | 169.7 | 179.2 | 0 | 110.8 | I151 M152 D154 | I151-K450 HydrophobicContact CG2-CD 4.45Å; I151-K450 WeakPolarHBondContact O-CD 3.12Å; M152-K450 PolarHBondContact O-N 2.92Å; D154-K450 HydrophobicContact CB-CD 4.06Å; D154-K450 HydrophobicContact CB-CG 4.46Å; D154-K450 WeakPolarHBondContact OD1-CE 3.48Å; D154-K450 IonicContact OD1-NZ 2.77Å; D154-K450 PolarHBondContact OD1-NZ 3.05Å |
| 451 | A | 92.4 | Very high | 90.6 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 53% | 0.529 | 37% | 0.371 | S | S | . | . | trans | -66.7 | 152.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P453 | A451-P453 WeakPolarHBondContact O-CD 3.35Š| ||
| 452 | A | 90.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | trans | -70.5 | 127.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y144 M152 L454 D455 E456 | Y144-A452 HydrophobicContact CD1-CB 4.06Å; Y144-A452 HydrophobicContact CE1-CB 3.36Å; M152-A452 HydrophobicContact CE-CB 3.96Å; M152-A452 HydrophobicContact CG-CB 4Å; M152-A452 HydrophobicContact SD-CB 3.48Å; M152-A452 WeakPolarHBondContact SD-CB 3.4Å; A452-L454 PolarHBondContact O-N 3.24Å; A452-D455 HydrophobicContact CB-CB 4.22Å; A452-D455 WeakPolarHBondContact CB-OD2 3.47Å; A452-D455 PolarHBondContact O-N 3.13Å; A452-D455 VanDerWaalsContact O-N 3.12Å; A452-E456 PolarHBondContact O-N 3.12Å; A452-E456 VanDerWaalsContact O-N 3.13Å | ||
| 453 | P | 88.4 | Confident | 88.9 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.6 | -33 | 173.6 | -25.5 | 34.1 | 0 | 0 | 0 | 113.2 | I151 A451 E456 L457 | I151-P453 HydrophobicContact CB-CG 4.07Å; I151-P453 HydrophobicContact CD1-CG 3.68Å; I151-P453 HydrophobicContact CG1-CG 4.47Å; I151-P453 HydrophobicContact CG2-CG 3.86Å; A451-P453 WeakPolarHBondContact O-CD 3.35Å; P453-E456 PolarHBondContact O-N 2.9Å; P453-L457 VanDerWaalsContact O-CG 3.29Å; P453-L457 WeakPolarHBondContact O-CG 3.39Å; P453-L457 PolarHBondContact O-N 3.05Å |
| 454 | L | 83.8 | Confident | 87.9 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 174.9 | -167.7 | 94.5 | 0 | 0 | 0 | 111.9 | Y144 A452 E456 L457 E458 | Y144-L454 HydrophobicContact CD1-CB 4.44Å; Y144-L454 HydrophobicContact CD1-CD2 4.32Å; Y144-L454 HydrophobicContact CE1-CB 4.42Å; Y144-L454 HydrophobicContact CE1-CD2 4.3Å; A452-L454 PolarHBondContact O-N 3.24Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 3.48Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 2.93Å; L454-L457 VanDerWaalsContact O-N 3.13Å; L454-E458 WeakPolarHBondContact O-CG 3.2Å; L454-E458 PolarHBondContact O-N 3.13Å |
| 455 | D | 85 | Confident | 86.9 | Confident | 51 Ų | 51 | 79.2 Ų | 79.2 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | -178.6 | -60.7 | -28.5 | 0 | 0 | 0 | 110.9 | K143 Y144 A452 E458 S459 | K143-D455 IonicContact NZ-OD1 3.13Å; K143-D455 PolarHBondContact NZ-OD1 2.84Å; K143-D455 IonicContact NZ-OD2 3.81Å; Y144-D455 PolarHBondContact OH-OD2 3.04Å; A452-D455 HydrophobicContact CB-CB 4.22Å; A452-D455 WeakPolarHBondContact CB-OD2 3.47Å; A452-D455 PolarHBondContact O-N 3.13Å; A452-D455 VanDerWaalsContact O-N 3.12Å; D455-E458 PolarHBondContact O-N 2.99Å; D455-S459 WeakPolarHBondContact O-CB 3.29Å; D455-S459 PolarHBondContact O-N 3.41Å; D455-S459 PolarHBondContact O-OG 3.46Å; D455-S459 VanDerWaalsContact O-OG 3.05Å |
| 456 | E | 83.1 | Confident | 85.9 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 171.7 | -70.7 | -167.2 | -178.9 | 0 | 0 | 112.5 | A452 P453 L454 S459 R460 | A452-E456 PolarHBondContact O-N 3.12Å; A452-E456 VanDerWaalsContact O-N 3.13Å; P453-E456 PolarHBondContact O-N 2.9Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 3.48Å; E456-S459 WeakPolarHBondContact CA-OG 3.49Å; E456-S459 PolarHBondContact O-OG 3.45Å; E456-R460 WeakPolarHBondContact O-CB 3.49Å; E456-R460 WeakPolarHBondContact O-CG 3.48Å; E456-R460 PolarHBondContact O-N 3.03Å; E456-R460 IonicContact OE2-NH2 3.67Å |
| 457 | L | 81.1 | Confident | 84.7 | Confident | 86 Ų | 86 | 86 Ų | 86 | 45% | 0.45 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 176.3 | -74.5 | 166.5 | 0 | 0 | 0 | 111.6 | P453 L454 R460 K461 | P453-L457 VanDerWaalsContact O-CG 3.29Å; P453-L457 WeakPolarHBondContact O-CG 3.39Å; P453-L457 PolarHBondContact O-N 3.05Å; L454-L457 WeakPolarHBondContact O-CB 3.47Å; L454-L457 PolarHBondContact O-N 2.93Å; L454-L457 VanDerWaalsContact O-N 3.13Å; L457-R460 PolarHBondContact O-N 3.41Å; L457-K461 WeakPolarHBondContact O-CG 3.38Å; L457-K461 PolarHBondContact O-N 2.98Å |
| 458 | E | 83.2 | Confident | 83.5 | Confident | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 177.1 | -72.5 | -175 | 172.1 | 0 | 0 | 111.8 | L454 D455 R460 K461 Q462 | L454-E458 WeakPolarHBondContact O-CG 3.2Å; L454-E458 PolarHBondContact O-N 3.13Å; D455-E458 PolarHBondContact O-N 2.99Å; E458-R460 VanDerWaalsContact C-N 3.34Å; E458-R460 PolarHBondContact O-N 2.84Å; E458-K461 WeakPolarHBondContact O-CB 3.49Å; E458-K461 PolarHBondContact O-N 3.14Å; E458-K461 VanDerWaalsContact O-N 3.14Å; E458-Q462 WeakPolarHBondContact O-CB 3.34Å; E458-Q462 PolarHBondContact O-N 2.95Å |
| 459 | S | 80.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 98.6 Ų | 98.6 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | D455 E456 Q462 K463 | D455-S459 WeakPolarHBondContact O-CB 3.29Å; D455-S459 PolarHBondContact O-N 3.41Å; D455-S459 PolarHBondContact O-OG 3.46Å; D455-S459 VanDerWaalsContact O-OG 3.05Å; E456-S459 WeakPolarHBondContact CA-OG 3.49Å; E456-S459 PolarHBondContact O-OG 3.45Å; S459-Q462 PolarHBondContact O-N 3.25Å; S459-K463 WeakPolarHBondContact O-CB 3.32Å; S459-K463 VanDerWaalsContact O-CG 3.32Å; S459-K463 WeakPolarHBondContact O-CG 3.34Å; S459-K463 PolarHBondContact O-N 2.98Å |
| 460 | R | 79.9 | Confident | 81.1 | Confident | 152 Ų | 152 | 97.9 Ų | 97.9 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.9 | -39.1 | 172.7 | -74.7 | 174.1 | -172 | -171.5 | 7.5 | 112.1 | E456 L457 E458 R464 | E456-R460 WeakPolarHBondContact O-CB 3.49Å; E456-R460 WeakPolarHBondContact O-CG 3.48Å; E456-R460 PolarHBondContact O-N 3.03Å; E456-R460 IonicContact OE2-NH2 3.67Å; L457-R460 PolarHBondContact O-N 3.41Å; E458-R460 VanDerWaalsContact C-N 3.34Å; E458-R460 PolarHBondContact O-N 2.84Å; R460-R464 WeakPolarHBondContact O-CG 3.5Å; R460-R464 PolarHBondContact O-N 3.42Å; R460-R464 VanDerWaalsContact O-N 3.14Å |
| 461 | K | 80.4 | Confident | 79.9 | Confident | 150 Ų | 150 | 99.1 Ų | 99.1 | 65% | 0.652 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -44 | 175.2 | -76.7 | 176.7 | -177.4 | 177.8 | 0 | 111.3 | L457 E458 R464 A465 | L457-K461 WeakPolarHBondContact O-CG 3.38Å; L457-K461 PolarHBondContact O-N 2.98Å; E458-K461 WeakPolarHBondContact O-CB 3.49Å; E458-K461 PolarHBondContact O-N 3.14Å; E458-K461 VanDerWaalsContact O-N 3.14Å; K461-R464 PolarHBondContact O-N 2.88Å; K461-A465 PolarHBondContact O-N 3Å |
| 462 | Q | 78.8 | Confident | 78.4 | Confident | 106 Ų | 106 | 102.5 Ų | 102.5 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 177.8 | -172.1 | 59.6 | 38.2 | 0 | 0 | 111.2 | E458 S459 R464 A465 D466 | E458-Q462 WeakPolarHBondContact O-CB 3.34Å; E458-Q462 PolarHBondContact O-N 2.95Å; S459-Q462 PolarHBondContact O-N 3.25Å; Q462-R464 VanDerWaalsContact C-N 3.28Å; Q462-R464 PolarHBondContact O-N 3.48Å; Q462-A465 WeakPolarHBondContact O-CA 3.44Å; Q462-A465 WeakPolarHBondContact O-CB 3.5Å; Q462-A465 PolarHBondContact O-N 2.94Å; Q462-D466 PolarHBondContact NE2-OD1 3.06Å; Q462-D466 PolarHBondContact NE2-OD2 3.17Å; Q462-D466 PolarHBondContact O-N 3.28Å |
| 463 | K | 79.1 | Confident | 77.8 | Confident | 154 Ų | 154 | 107.5 Ų | 107.5 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.6 | -39 | 175.4 | -73.8 | 177.1 | -179.3 | -179.1 | 0 | 113 | S459 H467 | S459-K463 WeakPolarHBondContact O-CB 3.32Å; S459-K463 VanDerWaalsContact O-CG 3.32Å; S459-K463 WeakPolarHBondContact O-CG 3.34Å; S459-K463 PolarHBondContact O-N 2.98Å; K463-H467 WeakPolarHBondContact O-CB 3.47Å; K463-H467 PolarHBondContact O-N 3.14Å |
| 464 | R | 76.7 | Confident | 77.2 | Confident | 189 Ų | 189 | 112 Ų | 112 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.9 | -36 | 175.2 | -75.8 | 177.1 | 175.7 | -172.5 | -0.8 | 112.7 | R460 K461 Q462 R468 | R460-R464 WeakPolarHBondContact O-CG 3.5Å; R460-R464 PolarHBondContact O-N 3.42Å; R460-R464 VanDerWaalsContact O-N 3.14Å; K461-R464 PolarHBondContact O-N 2.88Å; Q462-R464 VanDerWaalsContact C-N 3.28Å; Q462-R464 PolarHBondContact O-N 3.48Å; R464-R468 WeakPolarHBondContact O-CG 3.48Å; R464-R468 PolarHBondContact O-N 2.77Å |
| 465 | A | 76.5 | Confident | 76.8 | Confident | 40 Ų | 40 | 115 Ų | 115 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K461 Q462 R468 K469 | K461-A465 PolarHBondContact O-N 3Å; Q462-A465 WeakPolarHBondContact O-CA 3.44Å; Q462-A465 WeakPolarHBondContact O-CB 3.5Å; Q462-A465 PolarHBondContact O-N 2.94Å; A465-R468 PolarHBondContact O-N 2.95Å; A465-K469 WeakPolarHBondContact O-CG 3.42Å; A465-K469 PolarHBondContact O-N 3.07Å |
| 466 | D | 77.6 | Confident | 76.4 | Confident | 77 Ų | 77 | 118.8 Ų | 118.8 | 41% | 0.412 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -39.7 | 177.5 | -62.9 | -24.9 | 0 | 0 | 0 | 111.3 | Q462 R468 K469 A470 | Q462-D466 PolarHBondContact NE2-OD1 3.06Å; Q462-D466 PolarHBondContact NE2-OD2 3.17Å; Q462-D466 PolarHBondContact O-N 3.28Å; D466-R468 PolarHBondContact O-N 3.38Å; D466-K469 PolarHBondContact O-N 3.01Å; D466-A470 PolarHBondContact O-N 3.35Å |
| 467 | H | 74.1 | Confident | 75.9 | Confident | 120 Ų | 120 | 120.8 Ų | 120.8 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -42.5 | 174.1 | -157.8 | -58.4 | 0 | 0 | 0 | 112.2 | K463 K469 A470 D471 | K463-H467 WeakPolarHBondContact O-CB 3.47Å; K463-H467 PolarHBondContact O-N 3.14Å; H467-K469 VanDerWaalsContact C-N 3.28Å; H467-K469 PolarHBondContact O-N 3.03Å; H467-A470 PolarHBondContact O-N 3.15Å; H467-A470 VanDerWaalsContact O-N 3.15Å; H467-D471 IonicContact CE1-OD1 2.86Å; H467-D471 IonicContact CE1-OD2 3.63Å; H467-D471 PolarHBondContact CE1-OD2 3.27Å; H467-D471 VanDerWaalsContact CE1-OD2 3.27Å; H467-D471 IonicContact ND1-OD1 3.57Å; H467-D471 IonicContact ND1-OD2 3.61Å; H467-D471 PolarHBondContact ND1-OD2 3.49Å; H467-D471 VanDerWaalsContact O-CG 3.32Å; H467-D471 PolarHBondContact O-N 3.47Å |
| 468 | R | 72.2 | Confident | 75.6 | Confident | 199 Ų | 199 | 123.1 Ų | 123.1 | 75% | 0.751 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.6 | -29.1 | 175.9 | -76 | 179.9 | 177 | -173.3 | -2 | 113.6 | R464 A465 D466 A472 | R464-R468 WeakPolarHBondContact O-CG 3.48Å; R464-R468 PolarHBondContact O-N 2.77Å; A465-R468 PolarHBondContact O-N 2.95Å; D466-R468 PolarHBondContact O-N 3.38Å; R468-A472 WeakPolarHBondContact O-CB 3.48Å; R468-A472 PolarHBondContact O-N 3.23Å |
| 469 | K | 72.9 | Confident | 75.1 | Confident | 156 Ų | 156 | 124.1 Ų | 124.1 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.3 | -24.2 | 173.8 | -74.8 | -178.2 | 179.8 | 179.9 | 0 | 112.9 | A465 D466 H467 | A465-K469 WeakPolarHBondContact O-CG 3.42Å; A465-K469 PolarHBondContact O-N 3.07Å; D466-K469 PolarHBondContact O-N 3.01Å; H467-K469 VanDerWaalsContact C-N 3.28Å; H467-K469 PolarHBondContact O-N 3.03Å |
| 470 | A | 72.5 | Confident | 74.7 | Confident | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82 | -27.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D466 H467 | D466-A470 PolarHBondContact O-N 3.35Å; H467-A470 PolarHBondContact O-N 3.15Å; H467-A470 VanDerWaalsContact O-N 3.15Å |
| 471 | D | 69.5 | Low | 74.2 | Confident | 121 Ų | 121 | 127.5 Ų | 127.5 | 65% | 0.647 | 64% | 0.642 | S | S | * | * | trans | -84.2 | -10.9 | 176.2 | -64.8 | -32.8 | 0 | 0 | 0 | 113.9 | H467 | H467-D471 IonicContact CE1-OD1 2.86Å; H467-D471 IonicContact CE1-OD2 3.63Å; H467-D471 PolarHBondContact CE1-OD2 3.27Å; H467-D471 VanDerWaalsContact CE1-OD2 3.27Å; H467-D471 IonicContact ND1-OD1 3.57Å; H467-D471 IonicContact ND1-OD2 3.61Å; H467-D471 PolarHBondContact ND1-OD2 3.49Å; H467-D471 VanDerWaalsContact O-CG 3.32Å; H467-D471 PolarHBondContact O-N 3.47Å | ||
| 472 | A | 60.6 | Low | 73.7 | Confident | 135 Ų | 135 | 125.5 Ų | 125.5 | 100% | 1.116 | 64% | 0.641 | S | S | * | * | trans | -104.8 | 0 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R468 | R468-A472 WeakPolarHBondContact O-CB 3.48Å; R468-A472 PolarHBondContact O-N 3.23Å |
Retrieved 472 of 472 residues in 216.8 ms
(Link to these results)