| 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 | 24.2 | Very low | 40.9 | Very low | 244 Ų | 244 | 69.6 Ų | 69.6 | 100% | 1.202 | 35% | 0.354 | S | S | * | . | 0 | 81.5 | 0 | -106.6 | 171.1 | 59.2 | 0 | 0 | 107.1 | |||||
| 2 | E | 26.8 | Very low | 44.7 | Very low | 185 Ų | 185 | 64.2 Ų | 64.2 | 86% | 0.864 | 33% | 0.326 | S | S | * | . | trans | -76.2 | 154.2 | -172.7 | -74.5 | 169.4 | 144.9 | 0 | 0 | 111.5 | ||||
| 3 | L | 30.1 | Very low | 48.4 | Very low | 42 Ų | 42 | 59.2 Ų | 59.2 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | trans | -62.1 | 150.1 | 176.5 | -79.9 | 83.2 | 0 | 0 | 0 | 111.2 | I358 R365 | L3-I358 HydrophobicContact CD1-CB 3.63Å; L3-I358 HydrophobicContact CD1-CD1 4.36Å; L3-I358 HydrophobicContact CD1-CG1 3.76Å; L3-I358 HydrophobicContact CD1-CG2 3.33Å; L3-R365 VanDerWaalsContact CG-NH2 3.35Å | ||
| 4 | E | 34.5 | Very low | 51.9 | Low | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | -167.3 | 109 | 108.4 | -99.1 | 178.3 | 148.6 | 0 | 0 | 110.8 | L6 R9 R394 | E4-L6 PolarHBondContact O-N 2.95Å; E4-R9 IonicContact OE1-CZ 3.59Å; E4-R9 IonicContact OE1-NH1 3.31Å; E4-R9 IonicContact OE1-NH2 2.8Å; E4-R9 PolarHBondContact OE1-NH2 2.96Å; E4-R9 IonicContact OE2-CZ 2.73Å; E4-R9 IonicContact OE2-NH1 3.42Å; E4-R9 PolarHBondContact OE2-NH1 3.28Å; E4-R9 IonicContact OE2-NH2 3.81Å; E4-R9 PolarHBondContact OE2-NH2 3.37Å; E4-R394 PolarHBondContact O-NH1 2.9Å | |||
| 5 | E | 40.2 | Very low | 55 | Low | 53 Ų | 53 | 51.3 Ų | 51.3 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | trans | -59 | 111.2 | 147.7 | -76.2 | 175.1 | 158 | 0 | 0 | 105.6 | ||||
| 6 | L | 41.8 | Very low | 57.7 | Low | 80 Ų | 80 | 48.2 Ų | 48.2 | 42% | 0.419 | 25% | 0.245 | S | C | . | . | trans | -168.2 | 148.6 | 152.2 | -94.8 | 121.9 | 0 | 0 | 0 | 109.4 | E4 R9 | E4-L6 PolarHBondContact O-N 2.95Å; L6-R9 VanDerWaalsContact CB-NH2 3.34Å | ||
| 7 | G | 46.5 | Very low | 60.1 | Low | 35 Ų | 35 | 45.4 Ų | 45.4 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | trans | -70.4 | -154.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R9 | G7-R9 PolarHBondContact O-N 3Š| ||
| 8 | I | 43.2 | Very low | 62.2 | Low | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | trans | -62.7 | 131.7 | 176.9 | -29 | 175.3 | 0 | 0 | 0 | 108.5 | F282 Y286 F287 S391 V393 I422 I430 I432 | I8-F282 HydrophobicContact CD1-CD1 3.72Å; I8-F282 HydrophobicContact CD1-CE1 3.29Å; I8-F282 HydrophobicContact CD1-CZ 4.29Å; I8-Y286 WeakPolarHBondContact O-CE1 3.46Å; I8-F287 HydrophobicContact CB-CE1 4.32Å; I8-F287 HydrophobicContact CB-CZ 3.71Å; I8-F287 HydrophobicContact CG2-CE1 4.38Å; I8-F287 HydrophobicContact CG2-CE2 3.93Å; I8-F287 HydrophobicContact CG2-CZ 3.36Å; I8-F287 WeakPolarHBondContact O-CE1 3.24Å; I8-S391 WeakPolarHBondContact CD1-OG 3.44Å; I8-V393 HydrophobicContact CB-CG2 4.46Å; I8-V393 HydrophobicContact CD1-CG2 4.17Å; I8-V393 HydrophobicContact CG1-CG2 3.27Å; I8-I422 HydrophobicContact CD1-CD1 3.22Å; I8-I422 HydrophobicContact CG1-CD1 3.88Å; I8-I430 HydrophobicContact CG2-CG2 3.37Å; I8-I432 HydrophobicContact CG2-CD1 4.06Å; I8-I432 HydrophobicContact CG2-CG1 3.77Å | ||
| 9 | R | 54.9 | Low | 63.9 | Low | 21 Ų | 21 | 40.6 Ų | 40.6 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.7 | 178 | -70.5 | 148.3 | 155.7 | -154 | -5.7 | 108.8 | E4 L6 G7 Y94 F287 I430 N431 | E4-R9 IonicContact OE1-CZ 3.59Å; E4-R9 IonicContact OE1-NH1 3.31Å; E4-R9 IonicContact OE1-NH2 2.8Å; E4-R9 PolarHBondContact OE1-NH2 2.96Å; E4-R9 IonicContact OE2-CZ 2.73Å; E4-R9 IonicContact OE2-NH1 3.42Å; E4-R9 PolarHBondContact OE2-NH1 3.28Å; E4-R9 IonicContact OE2-NH2 3.81Å; E4-R9 PolarHBondContact OE2-NH2 3.37Å; L6-R9 VanDerWaalsContact CB-NH2 3.34Å; G7-R9 PolarHBondContact O-N 3Å; R9-Y94 HydrophobicContact CB-CD1 4.16Å; R9-Y94 HydrophobicContact CB-CE1 3.88Å; R9-Y94 VanDerWaalsContact CD-CE1 3.5Å; R9-Y94 WeakPolarHBondContact CD-OH 3.27Å; R9-Y94 HydrophobicContact CG-CE1 3.9Å; R9-Y94 HydrophobicContact CG-CE2 4.46Å; R9-Y94 PolarHBondContact NE-OH 2.83Å; R9-Y94 PolarHBondContact NH1-OH 2.75Å; R9-Y94 PolarHBondContact NH2-OH 3.04Å; R9-F287 VanDerWaalsContact C-CZ 3.48Å; R9-F287 VanDerWaalsContact CA-CE1 3.46Å; R9-I430 WeakPolarHBondContact O-CG2 3.38Å; R9-N431 HydrophobicContact CB-CB 4.3Å; R9-N431 PolarHBondContact O-N 3.27Å |
| 10 | E | 44.2 | Very low | 65.4 | Low | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 149.6 | 178.7 | 174.7 | 172 | -143.8 | 0 | 0 | 110.3 | R43 Y94 R204 E283 F287 | E10-R43 VanDerWaalsContact O-O 3.09Å; E10-R43 IonicContact OE1-NH1 2.7Å; E10-R43 PolarHBondContact OE1-NH1 3.39Å; E10-R43 IonicContact OE2-CZ 3.6Å; E10-R43 IonicContact OE2-NH1 3.61Å; E10-R43 PolarHBondContact OE2-NH1 3.35Å; E10-R43 IonicContact OE2-NH2 3.39Å; E10-Y94 WeakPolarHBondContact O-CB 3.28Å; E10-R204 IonicContact OE1-CZ 2.7Å; E10-R204 IonicContact OE1-NH1 2.57Å; E10-R204 PolarHBondContact OE1-NH1 2.93Å; E10-E283 VanDerWaalsContact OE2-CD 3.28Å; E10-F287 HydrophobicContact CB-CB 4.03Å; E10-F287 HydrophobicContact CB-CD1 3.21Å; E10-F287 HydrophobicContact CB-CD2 3.75Å; E10-F287 HydrophobicContact CB-CE1 3.46Å; E10-F287 VanDerWaalsContact CB-CE1 3.46Å; E10-F287 HydrophobicContact CB-CE2 3.93Å; E10-F287 HydrophobicContact CB-CG 3.37Å; E10-F287 HydrophobicContact CB-CZ 3.77Å; E10-F287 HydrophobicContact CG-CD1 4.47Å; E10-F287 HydrophobicContact CG-CD2 4.46Å; E10-F287 HydrophobicContact CG-CG 4.26Å; E10-F287 WeakPolarHBondContact OE2-CB 3.32Å; E10-F287 WeakPolarHBondContact OE2-CG 3.48Å |
| 11 | E | 63.5 | Low | 66.5 | Low | 9 Ų | 9 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -70.9 | 137 | 173.4 | -63.4 | -64.5 | -109.6 | 0 | 0 | 113.4 | R43 Y94 T96 N122 G429 | E11-R43 CarbonylContact C-O 3.53Å; E11-Y94 VanDerWaalsContact OE1-O 3.12Å; E11-Y94 WeakPolarHBondContact OE2-CB 3.1Å; E11-T96 HydrophobicContact CG-CG2 3.13Å; E11-T96 WeakPolarHBondContact CG-OG1 3.27Å; E11-T96 WeakPolarHBondContact OE1-CA 3.35Å; E11-T96 WeakPolarHBondContact OE1-CB 3.33Å; E11-T96 WeakPolarHBondContact OE1-CG2 3.1Å; E11-T96 PolarHBondContact OE1-N 2.89Å; E11-T96 PolarHBondContact OE1-OG1 3.21Å; E11-T96 WeakPolarHBondContact OE2-CG2 3.1Å; E11-T96 PolarHBondContact OE2-N 2.9Å; E11-N122 PolarHBondContact O-OD1 2.82Å; E11-G429 WeakPolarHBondContact CB-O 3.48Å; E11-G429 VanDerWaalsContact CG-O 3.26Å; E11-G429 WeakPolarHBondContact CG-O 3.24Å; E11-G429 PolarHBondContact N-O 2.86Å; E11-G429 VanDerWaalsContact N-O 3.16Å | ||
| 12 | C | 86.3 | Confident | 69.6 | Low | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | trans | 49.6 | 122.5 | 141.6 | -56.4 | 0 | 0 | 0 | 0 | 119.6 | R43 H91 T92 N122 | C12-R43 PolarHBondContact N-O 2.98Å; C12-H91 WeakPolarHBondContact CB-NE2 3.49Å; C12-H91 PolarHBondContact SG-CE1 2.96Å; C12-H91 PolarHBondContact SG-NE2 3.45Å; C12-T92 CarbonylContact C-O 3.5Å; C12-T92 WeakPolarHBondContact CA-O 3.3Å; C12-T92 WeakPolarHBondContact CB-O 3.46Å; C12-N122 HydrophobicContact CB-CB 4.4Å; C12-N122 WeakPolarHBondContact O-CB 3.26Å; C12-N122 PolarHBondContact O-ND2 3.31Å; C12-N122 PolarHBondContact O-OD1 2.95Å | ||
| 13 | G | 93.2 | Very high | 72.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | H91 T92 | G13-H91 CarbonylContact O-C 2.99Å; G13-H91 VanDerWaalsContact O-CA 3.25Å; G13-H91 WeakPolarHBondContact O-CA 3.44Å; G13-T92 WeakPolarHBondContact CA-OG1 3.41Å; G13-T92 PolarHBondContact N-O 2.74Å; G13-T92 VanDerWaalsContact N-O 3.09Å; G13-T92 PolarHBondContact N-OG1 2.78Å; G13-T92 VanDerWaalsContact N-OG1 3.1Å; G13-T92 PolarHBondContact O-N 3.06Å |
| 14 | V | 97.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.8 | 165.3 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | L40 A120 N122 L187 L206 S233 S234 | V14-L40 VanDerWaalsContact O-CD1 3.32Å; V14-L40 WeakPolarHBondContact O-CD1 3.49Å; V14-A120 HydrophobicContact CB-CB 4.47Å; V14-A120 HydrophobicContact CG1-CB 3.9Å; V14-N122 HydrophobicContact CG1-CB 4.1Å; V14-L187 HydrophobicContact CB-CD1 3.91Å; V14-L187 HydrophobicContact CB-CG 4.08Å; V14-L187 HydrophobicContact CG2-CD1 4.2Å; V14-L187 HydrophobicContact CG2-CG 4.08Å; V14-L206 HydrophobicContact CG2-CD1 3.9Å; V14-S233 WeakPolarHBondContact O-CA 3.5Å; V14-S234 WeakPolarHBondContact CG2-OG 3.5Å; V14-S234 PolarHBondContact N-OG 3.31Å; V14-S234 PolarHBondContact O-N 2.96Å |
| 15 | F | 98.5 | Very high | 78.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 135.5 | 176.3 | -166.9 | -81.5 | 0 | 0 | 0 | 110.1 | C17 V32 I33 L37 L40 I89 G90 V231 V232 I242 | F15-C17 HydrophobicContact CE1-CB 4.28Å; F15-V32 HydrophobicContact CE1-CG1 4.47Å; F15-I33 HydrophobicContact CD1-CB 4.21Å; F15-I33 HydrophobicContact CD1-CG1 4.11Å; F15-I33 HydrophobicContact CD1-CG2 4.13Å; F15-I33 HydrophobicContact CE1-CG1 4.32Å; F15-L37 HydrophobicContact CB-CD2 3.63Å; F15-L37 HydrophobicContact CB-CG 4.22Å; F15-L40 HydrophobicContact CB-CD1 4.24Å; F15-L40 HydrophobicContact CD2-CD1 4.4Å; F15-I89 CarbonylContact O-C 3.59Å; F15-I89 WeakPolarHBondContact O-CA 3.46Å; F15-G90 PolarHBondContact N-O 3.1Å; F15-G90 PolarHBondContact O-N 2.98Å; F15-V231 HydrophobicContact CE1-CB 4.38Å; F15-V231 HydrophobicContact CE1-CG1 4.15Å; F15-V231 HydrophobicContact CZ-CB 3.84Å; F15-V231 HydrophobicContact CZ-CG1 3.83Å; F15-V232 CarbonylContact C-O 3.54Å; F15-V232 VanDerWaalsContact CA-O 3.32Å; F15-V232 WeakPolarHBondContact CA-O 3.42Å; F15-I242 HydrophobicContact CE1-CD1 4.38Å; F15-I242 HydrophobicContact CE2-CD1 3.96Å; F15-I242 HydrophobicContact CZ-CD1 3.36Å |
| 16 | G | 98.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G88 V231 V232 | G16-G88 WeakPolarHBondContact CA-O 3.22Å; G16-V231 CarbonylContact O-C 3.59Å; G16-V231 WeakPolarHBondContact O-CA 3.32Å; G16-V232 PolarHBondContact N-O 2.98Å; G16-V232 PolarHBondContact O-N 3.09Å |
| 17 | C | 97.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.5 | 178 | 180 | 0 | 0 | 0 | 0 | 109.9 | F15 V29 V32 I33 L87 G88 W230 V231 | F15-C17 HydrophobicContact CE1-CB 4.28Å; C17-V29 HydrophobicContact CB-CG1 4.09Å; C17-V32 HydrophobicContact CB-CG1 4.25Å; C17-I33 HydrophobicContact CB-CD1 4.19Å; C17-I33 HydrophobicContact CB-CG1 3.67Å; C17-L87 CarbonylContact O-C 3.27Å; C17-L87 VanDerWaalsContact O-CA 3.24Å; C17-L87 WeakPolarHBondContact O-CA 3.2Å; C17-G88 PolarHBondContact N-O 3.12Å; C17-G88 PolarHBondContact O-N 2.92Å; C17-W230 WeakPolarHBondContact CA-O 3.37Å; C17-V231 HydrophobicContact CB-CG1 4.12Å |
| 18 | I | 97.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 126.4 | 173.5 | -179.4 | 161.6 | 0 | 0 | 0 | 110 | W23 L87 D192 I194 G229 W230 I258 | I18-W23 HydrophobicContact CD1-CH2 4.03Å; I18-W23 HydrophobicContact CD1-CZ2 3.91Å; I18-W23 HydrophobicContact CG1-CH2 4.33Å; I18-W23 HydrophobicContact CG1-CZ2 3.76Å; I18-L87 HydrophobicContact CB-CB 3.96Å; I18-L87 HydrophobicContact CD1-CB 4.13Å; I18-L87 HydrophobicContact CD1-CD1 4.15Å; I18-L87 HydrophobicContact CG1-CB 3.89Å; I18-D192 VanDerWaalsContact CD1-O 3.31Å; I18-D192 WeakPolarHBondContact CD1-O 3.48Å; I18-I194 HydrophobicContact CB-CD1 4.28Å; I18-G229 CarbonylContact O-C 3.56Å; I18-G229 WeakPolarHBondContact O-CA 3.29Å; I18-W230 HydrophobicContact CG2-CB 3.92Å; I18-W230 PolarHBondContact N-O 3.31Å; I18-W230 PolarHBondContact O-N 2.68Å; I18-I258 HydrophobicContact CG2-CB 4.31Å; I18-I258 HydrophobicContact CG2-CG2 3.38Å |
| 19 | A | 95.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 138.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W23 T25 L27 V29 N86 E228 | A19-W23 PolarHBondContact O-NE1 3.09Å; A19-T25 VanDerWaalsContact CB-CB 3.48Å; A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.36Å; A19-L27 HydrophobicContact CB-CB 4.39Å; A19-L27 HydrophobicContact CB-CD2 4.12Å; A19-V29 HydrophobicContact CB-CG2 4.49Å; A19-N86 PolarHBondContact N-O 3.22Å; A19-E228 WeakPolarHBondContact CA-O 3.31Å |
| 20 | S | 93.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | trans | -90.8 | 164.4 | 173 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | T227 E228 W230 R260 | S20-T227 VanDerWaalsContact CB-O 3.26Å; S20-T227 WeakPolarHBondContact CB-O 3.47Å; S20-E228 PolarHBondContact N-O 3.36Å; S20-W230 PolarHBondContact OG-NE1 3.33Å; S20-R260 WeakPolarHBondContact CA-O 3.45Å | ||
| 21 | G | 88.6 | Confident | 91.6 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 84.8 | -147.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R260 | G21-R260 PolarHBondContact N-O 3.04Å; G21-R260 PolarHBondContact O-NE 3.44Å; G21-R260 PolarHBondContact O-NH2 2.78Å |
| 22 | E | 88.6 | Confident | 93.1 | Very high | 170 Ų | 170 | 38.5 Ų | 38.5 | 79% | 0.794 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -82.1 | 141.6 | -178.7 | -68 | -170 | 169.1 | 0 | 0 | 112.8 | ||
| 23 | W | 91.6 | Very high | 93.6 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -111.7 | 140.9 | 178 | -69.1 | -3.1 | 0 | 0 | 0 | 109.4 | I18 A19 N86 L87 D192 R260 | I18-W23 HydrophobicContact CD1-CH2 4.03Å; I18-W23 HydrophobicContact CD1-CZ2 3.91Å; I18-W23 HydrophobicContact CG1-CH2 4.33Å; I18-W23 HydrophobicContact CG1-CZ2 3.76Å; A19-W23 PolarHBondContact O-NE1 3.09Å; W23-N86 HydrophobicContact CD2-CB 3.43Å; W23-N86 VanDerWaalsContact CD2-CB 3.43Å; W23-N86 VanDerWaalsContact CD2-CG 3.49Å; W23-N86 HydrophobicContact CE3-CB 3.71Å; W23-N86 HydrophobicContact CG-CB 3.86Å; W23-N86 VanDerWaalsContact CG-CG 3.42Å; W23-N86 HydrophobicContact CH2-CB 4.12Å; W23-N86 HydrophobicContact CZ2-CB 3.84Å; W23-N86 HydrophobicContact CZ3-CB 4.07Å; W23-L87 HydrophobicContact CH2-CD2 3.97Å; W23-L87 HydrophobicContact CZ3-CD2 4.26Å; W23-D192 HydrophobicContact CH2-CB 3.94Å; W23-D192 HydrophobicContact CZ3-CB 3.71Å; W23-R260 HydrophobicContact CH2-CB 4.42Å; W23-R260 HydrophobicContact CZ2-CB 3.63Å; W23-R260 HydrophobicContact CZ2-CG 4.33Å |
| 24 | P | 89.4 | Confident | 93.7 | Very high | 104 Ų | 104 | 38.7 Ų | 38.7 | 68% | 0.675 | 21% | 0.208 | S | C | * | . | S | Bend | cis | -72.5 | 137.5 | 6.7 | 30.2 | -35.4 | 0 | 0 | 0 | 113.4 | N86 | P24-N86 WeakPolarHBondContact CA-OD1 3.41Š|
| 25 | T | 89.4 | Confident | 93.6 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | trans | -73.7 | 157.9 | 178.9 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | A19 L27 V29 V84 N86 | A19-T25 VanDerWaalsContact CB-CB 3.48Å; A19-T25 HydrophobicContact CB-CG2 3.6Å; A19-T25 WeakPolarHBondContact CB-OG1 3.36Å; T25-L27 HydrophobicContact CG2-CB 4.03Å; T25-L27 WeakPolarHBondContact CG2-O 3.38Å; T25-L27 WeakPolarHBondContact OG1-CB 3.35Å; T25-L27 PolarHBondContact OG1-N 2.77Å; T25-V29 HydrophobicContact CG2-CG2 4.41Å; T25-V84 WeakPolarHBondContact O-CG1 3.25Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.36Å; T25-N86 PolarHBondContact N-OD1 2.84Å | ||
| 26 | Q | 87.9 | Confident | 93.5 | Very high | 185 Ų | 185 | 41.6 Ų | 41.6 | 86% | 0.864 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -89.3 | -8.1 | 165.8 | -60.2 | -58.3 | -47.6 | 0 | 0 | 112.5 | D28 | Q26-D28 PolarHBondContact O-N 3.44Š|
| 27 | L | 89.9 | Confident | 93.5 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.4 | 126.1 | 177.8 | -176.5 | 66.2 | 0 | 0 | 0 | 110.4 | A19 T25 V29 V32 L211 | A19-L27 HydrophobicContact CB-CB 4.39Å; A19-L27 HydrophobicContact CB-CD2 4.12Å; T25-L27 HydrophobicContact CG2-CB 4.03Å; T25-L27 WeakPolarHBondContact CG2-O 3.38Å; T25-L27 WeakPolarHBondContact OG1-CB 3.35Å; T25-L27 PolarHBondContact OG1-N 2.77Å; L27-V29 HydrophobicContact CB-CG2 4.48Å; L27-V29 HydrophobicContact CD2-CG2 4.07Å; L27-V29 HydrophobicContact CG-CG2 4.19Å; L27-V29 PolarHBondContact O-N 3.08Å; L27-V32 HydrophobicContact CD1-CG2 3.94Å; L27-V32 HydrophobicContact CG-CG2 4.32Å; L27-L211 HydrophobicContact CD2-CD1 3.87Å |
| 28 | D | 91.9 | Very high | 93.4 | Very high | 90 Ų | 90 | 44.1 Ų | 44.1 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | trans | -76.5 | 76.9 | 172.3 | -168.8 | -20.7 | 0 | 0 | 0 | 110.5 | Q26 P30 H31 V32 | Q26-D28 PolarHBondContact O-N 3.44Å; D28-P30 VanDerWaalsContact OD1-CD 3.29Å; D28-P30 WeakPolarHBondContact OD1-CD 3.18Å; D28-H31 HydrophobicContact CB-CB 3.99Å; D28-H31 PolarHBondContact O-N 3.4Å; D28-H31 VanDerWaalsContact O-N 3.12Å; D28-H31 WeakPolarHBondContact OD1-CB 3.47Å; D28-H31 PolarHBondContact OD1-N 3.16Å; D28-V32 WeakPolarHBondContact O-CG2 3.27Å; D28-V32 PolarHBondContact O-N 2.96Å | ||
| 29 | V | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.7 | -46 | -179.9 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | C17 A19 T25 L27 H31 V32 I33 S85 | C17-V29 HydrophobicContact CB-CG1 4.09Å; A19-V29 HydrophobicContact CB-CG2 4.49Å; T25-V29 HydrophobicContact CG2-CG2 4.41Å; L27-V29 HydrophobicContact CB-CG2 4.48Å; L27-V29 HydrophobicContact CD2-CG2 4.07Å; L27-V29 HydrophobicContact CG-CG2 4.19Å; L27-V29 PolarHBondContact O-N 3.08Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.03Å; V29-V32 PolarHBondContact O-N 3.37Å; V29-I33 HydrophobicContact CG1-CD1 3.72Å; V29-I33 HydrophobicContact CG1-CG1 4.35Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.47Å; V29-I33 PolarHBondContact O-N 3.26Å; V29-S85 WeakPolarHBondContact CB-O 3.02Å; V29-S85 VanDerWaalsContact CG2-O 3.23Å; V29-S85 WeakPolarHBondContact CG2-O 3.38Å |
| 30 | P | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -42.8 | 174.8 | -20.6 | 26.6 | 0 | 0 | 0 | 113.3 | D28 T34 T52 L79 L82 Y83 S85 | D28-P30 VanDerWaalsContact OD1-CD 3.29Å; D28-P30 WeakPolarHBondContact OD1-CD 3.18Å; P30-T34 WeakPolarHBondContact O-CB 3.32Å; P30-T34 PolarHBondContact O-N 3.39Å; P30-T34 PolarHBondContact O-OG1 3.39Å; P30-T52 HydrophobicContact CG-CG2 4.15Å; P30-L79 HydrophobicContact CB-CD2 4.28Å; P30-L82 HydrophobicContact CB-CB 3.98Å; P30-L82 HydrophobicContact CB-CD1 4.21Å; P30-L82 HydrophobicContact CG-CB 3.96Å; P30-Y83 VanDerWaalsContact CG-O 3.31Å; P30-Y83 WeakPolarHBondContact CG-O 3.23Å; P30-S85 WeakPolarHBondContact CD-OG 3.47Å |
| 31 | H | 93.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 45 Ų | 45 | 39% | 0.394 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 179.9 | -165 | 82.3 | 0 | 0 | 0 | 111.9 | D28 V29 I33 T34 L35 | D28-H31 HydrophobicContact CB-CB 3.99Å; D28-H31 PolarHBondContact O-N 3.4Å; D28-H31 VanDerWaalsContact O-N 3.12Å; D28-H31 WeakPolarHBondContact OD1-CB 3.47Å; D28-H31 PolarHBondContact OD1-N 3.16Å; V29-H31 VanDerWaalsContact C-N 3.31Å; V29-H31 PolarHBondContact O-N 3.03Å; H31-I33 VanDerWaalsContact C-N 3.35Å; H31-I33 PolarHBondContact O-N 3.4Å; H31-T34 WeakPolarHBondContact O-CB 3.28Å; H31-T34 PolarHBondContact O-N 2.99Å; H31-T34 VanDerWaalsContact O-N 3.14Å; H31-L35 WeakPolarHBondContact O-CG 3.29Å; H31-L35 PolarHBondContact O-N 3.44Å |
| 32 | V | 95.4 | Very high | 93.3 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | F15 C17 L27 D28 V29 T34 L35 G36 L211 V231 I242 | F15-V32 HydrophobicContact CE1-CG1 4.47Å; C17-V32 HydrophobicContact CB-CG1 4.25Å; L27-V32 HydrophobicContact CD1-CG2 3.94Å; L27-V32 HydrophobicContact CG-CG2 4.32Å; D28-V32 WeakPolarHBondContact O-CG2 3.27Å; D28-V32 PolarHBondContact O-N 2.96Å; V29-V32 PolarHBondContact O-N 3.37Å; V32-T34 VanDerWaalsContact C-N 3.3Å; V32-T34 PolarHBondContact O-N 3.49Å; V32-L35 PolarHBondContact O-N 2.87Å; V32-G36 PolarHBondContact O-N 3.3Å; V32-L211 HydrophobicContact CG1-CD1 4.13Å; V32-L211 HydrophobicContact CG1-CD2 4.4Å; V32-V231 HydrophobicContact CG1-CG1 4.39Å; V32-I242 HydrophobicContact CG1-CB 4.34Å; V32-I242 HydrophobicContact CG1-CD1 4.1Å; V32-I242 HydrophobicContact CG1-CG2 4.4Å |
| 33 | I | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.1 | -64.9 | 166.1 | 0 | 0 | 0 | 110.4 | F15 C17 V29 H31 G36 L37 I50 G88 | F15-I33 HydrophobicContact CD1-CB 4.21Å; F15-I33 HydrophobicContact CD1-CG1 4.11Å; F15-I33 HydrophobicContact CD1-CG2 4.13Å; F15-I33 HydrophobicContact CE1-CG1 4.32Å; C17-I33 HydrophobicContact CB-CD1 4.19Å; C17-I33 HydrophobicContact CB-CG1 3.67Å; V29-I33 HydrophobicContact CG1-CD1 3.72Å; V29-I33 HydrophobicContact CG1-CG1 4.35Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.47Å; V29-I33 PolarHBondContact O-N 3.26Å; H31-I33 VanDerWaalsContact C-N 3.35Å; H31-I33 PolarHBondContact O-N 3.4Å; I33-G36 PolarHBondContact O-N 2.95Å; I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.23Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.4Å; I33-I50 HydrophobicContact CB-CD1 4.23Å; I33-I50 HydrophobicContact CD1-CG2 4.36Å; I33-I50 HydrophobicContact CG2-CD1 3.75Å; I33-I50 HydrophobicContact CG2-CG1 3.73Å; I33-I50 HydrophobicContact CG2-CG2 4.27Å; I33-G88 WeakPolarHBondContact CD1-O 3.42Å |
| 34 | T | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | P30 H31 V32 G36 L37 V38 I50 V70 F74 L79 | P30-T34 WeakPolarHBondContact O-CB 3.32Å; P30-T34 PolarHBondContact O-N 3.39Å; P30-T34 PolarHBondContact O-OG1 3.39Å; H31-T34 WeakPolarHBondContact O-CB 3.28Å; H31-T34 PolarHBondContact O-N 2.99Å; H31-T34 VanDerWaalsContact O-N 3.14Å; V32-T34 VanDerWaalsContact C-N 3.3Å; V32-T34 PolarHBondContact O-N 3.49Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.32Å; T34-L37 PolarHBondContact O-N 2.83Å; T34-V38 WeakPolarHBondContact O-CG2 3.4Å; T34-V38 PolarHBondContact O-N 3.21Å; T34-I50 VanDerWaalsContact OG1-CD1 3.3Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.48Å; T34-V70 HydrophobicContact CG2-CG1 3.93Å; T34-F74 HydrophobicContact CG2-CB 3.91Å; T34-F74 HydrophobicContact CG2-CD2 4.43Å; T34-F74 HydrophobicContact CG2-CG 4.38Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.36Å |
| 35 | L | 95.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 34.4 Ų | 34.4 | 32% | 0.319 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 176 | -68.2 | 178.2 | 0 | 0 | 0 | 112.2 | H31 V32 V38 G39 I242 | H31-L35 WeakPolarHBondContact O-CG 3.29Å; H31-L35 PolarHBondContact O-N 3.44Å; V32-L35 PolarHBondContact O-N 2.87Å; L35-V38 WeakPolarHBondContact O-CB 3.37Å; L35-V38 PolarHBondContact O-N 3.47Å; L35-G39 PolarHBondContact O-N 3.13Å; L35-I242 HydrophobicContact CB-CG2 3.5Å; L35-I242 VanDerWaalsContact CB-CG2 3.5Å; L35-I242 HydrophobicContact CD1-CG2 4.31Å |
| 36 | G | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V32 I33 T34 G39 L40 S238 | V32-G36 PolarHBondContact O-N 3.3Å; I33-G36 PolarHBondContact O-N 2.95Å; T34-G36 VanDerWaalsContact C-N 3.33Å; T34-G36 PolarHBondContact O-N 3.32Å; G36-G39 WeakPolarHBondContact O-CA 3.14Å; G36-G39 PolarHBondContact O-N 3Å; G36-G39 VanDerWaalsContact O-N 3.12Å; G36-L40 PolarHBondContact O-N 2.9Å; G36-S238 WeakPolarHBondContact O-CB 3.3Å |
| 37 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 176.6 | -68.2 | -179.9 | 0 | 0 | 0 | 112.9 | F15 I33 T34 G39 L40 Q41 I50 V70 F74 T92 | F15-L37 HydrophobicContact CB-CD2 3.63Å; F15-L37 HydrophobicContact CB-CG 4.22Å; I33-L37 HydrophobicContact CG2-CD1 4.13Å; I33-L37 HydrophobicContact CG2-CG 4.23Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.4Å; T34-L37 PolarHBondContact O-N 2.83Å; L37-G39 VanDerWaalsContact C-N 3.27Å; L37-G39 PolarHBondContact O-N 3.34Å; L37-L40 CarbonylContact O-C 3.54Å; L37-L40 WeakPolarHBondContact O-CA 3.43Å; L37-L40 PolarHBondContact O-N 2.93Å; L37-Q41 PolarHBondContact O-N 2.97Å; L37-I50 HydrophobicContact CD1-CD1 4.17Å; L37-I50 HydrophobicContact CD1-CG1 3.84Å; L37-V70 HydrophobicContact CB-CG1 4.05Å; L37-V70 HydrophobicContact CB-CG2 3.89Å; L37-F74 HydrophobicContact CD1-CE2 4.47Å; L37-T92 HydrophobicContact CB-CG2 4.02Å; L37-T92 HydrophobicContact CD2-CG2 4.13Å |
| 38 | V | 95.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 24.3 Ų | 24.3 | 33% | 0.327 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 170.1 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | T34 L35 L40 Q41 V70 N71 | T34-V38 WeakPolarHBondContact O-CG2 3.4Å; T34-V38 PolarHBondContact O-N 3.21Å; L35-V38 WeakPolarHBondContact O-CB 3.37Å; L35-V38 PolarHBondContact O-N 3.47Å; V38-L40 PolarHBondContact O-N 2.89Å; V38-Q41 VanDerWaalsContact O-CB 3.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.42Å; V38-Q41 PolarHBondContact O-N 3.04Å; V38-Q41 VanDerWaalsContact O-N 3.16Å; V38-V70 HydrophobicContact CG2-CB 4.11Å; V38-V70 HydrophobicContact CG2-CG1 3.72Å; V38-N71 WeakPolarHBondContact CG2-OD1 3.36Å |
| 39 | G | 94.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 20 Ų | 20 | 7% | 0.072 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.7 | -23.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L35 G36 L37 R289 | L35-G39 PolarHBondContact O-N 3.13Å; G36-G39 WeakPolarHBondContact O-CA 3.14Å; G36-G39 PolarHBondContact O-N 3Å; G36-G39 VanDerWaalsContact O-N 3.12Å; L37-G39 VanDerWaalsContact C-N 3.27Å; L37-G39 PolarHBondContact O-N 3.34Å; G39-R289 PolarHBondContact O-NH1 3.33Å |
| 40 | L | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 9.4 | 177.8 | -61.2 | -178.6 | 0 | 0 | 0 | 113.7 | V14 F15 G36 L37 V38 H42 R43 S233 E235 | V14-L40 VanDerWaalsContact O-CD1 3.32Å; V14-L40 WeakPolarHBondContact O-CD1 3.49Å; F15-L40 HydrophobicContact CB-CD1 4.24Å; F15-L40 HydrophobicContact CD2-CD1 4.4Å; G36-L40 PolarHBondContact O-N 2.9Å; L37-L40 CarbonylContact O-C 3.54Å; L37-L40 WeakPolarHBondContact O-CA 3.43Å; L37-L40 PolarHBondContact O-N 2.93Å; V38-L40 PolarHBondContact O-N 2.89Å; L40-H42 PolarHBondContact O-N 2.85Å; L40-H42 VanDerWaalsContact O-N 3.07Å; L40-R43 WeakPolarHBondContact O-CB 3.49Å; L40-R43 PolarHBondContact O-N 3.23Å; L40-S233 WeakPolarHBondContact CD1-OG 3.27Å; L40-E235 HydrophobicContact CD2-CB 3.72Å |
| 41 | Q | 93.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 19.9 Ų | 19.9 | 14% | 0.136 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -60.7 | -23.3 | -173.7 | -174.2 | 75.4 | 87.7 | 0 | 0 | 112.7 | L37 V38 R43 G44 Q45 L69 V70 | L37-Q41 PolarHBondContact O-N 2.97Å; V38-Q41 VanDerWaalsContact O-CB 3.27Å; V38-Q41 WeakPolarHBondContact O-CB 3.42Å; V38-Q41 PolarHBondContact O-N 3.04Å; V38-Q41 VanDerWaalsContact O-N 3.16Å; Q41-R43 PolarHBondContact O-N 3.01Å; Q41-G44 PolarHBondContact NE2-O 2.97Å; Q41-G44 CarbonylContact O-C 3.53Å; Q41-G44 PolarHBondContact O-N 3.47Å; Q41-Q45 HydrophobicContact CG-CG 4.26Å; Q41-Q45 VanDerWaalsContact O-CG 3.28Å; Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q41-L69 HydrophobicContact CG-CD2 4.3Å; Q41-V70 VanDerWaalsContact OE1-CG2 3.26Å |
| 42 | H | 90.2 | Very high | 94 | Very high | 68 Ų | 68 | 15.9 Ų | 15.9 | 32% | 0.315 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -67.1 | -23.3 | 175 | 61.7 | -76 | 0 | 0 | 0 | 113.4 | L40 E235 F287 | L40-H42 PolarHBondContact O-N 2.85Å; L40-H42 VanDerWaalsContact O-N 3.07Å; H42-E235 IonicContact CD2-OE1 2.73Å; H42-E235 IonicContact CE1-OE1 3.37Å; H42-E235 PolarHBondContact CE1-OE1 2.93Å; H42-E235 IonicContact NE2-OE1 3.61Å; H42-E235 PolarHBondContact NE2-OE1 3.46Å; H42-E235 IonicContact NE2-OE2 2.74Å; H42-F287 PolarHBondContact CD2-O 3.08Å; H42-F287 VanDerWaalsContact CD2-O 3.31Å |
| 43 | R | 91.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.011 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -79.5 | -14.3 | 175.1 | -65.1 | -168.2 | 169.6 | -89.8 | -19.2 | 114.5 | E10 E11 C12 L40 Q41 E235 E283 | E10-R43 VanDerWaalsContact O-O 3.09Å; E10-R43 IonicContact OE1-NH1 2.7Å; E10-R43 PolarHBondContact OE1-NH1 3.39Å; E10-R43 IonicContact OE2-CZ 3.6Å; E10-R43 IonicContact OE2-NH1 3.61Å; E10-R43 PolarHBondContact OE2-NH1 3.35Å; E10-R43 IonicContact OE2-NH2 3.39Å; E11-R43 CarbonylContact C-O 3.53Å; C12-R43 PolarHBondContact N-O 2.98Å; L40-R43 WeakPolarHBondContact O-CB 3.49Å; L40-R43 PolarHBondContact O-N 3.23Å; Q41-R43 PolarHBondContact O-N 3.01Å; R43-E235 IonicContact CZ-OE1 3.75Å; R43-E235 IonicContact NE-OE1 3.9Å; R43-E235 PolarHBondContact NE-OE1 2.68Å; R43-E235 VanDerWaalsContact NH2-CG 3.31Å; R43-E235 IonicContact NH2-OE1 3.87Å; R43-E235 PolarHBondContact NH2-OE1 3.05Å; R43-E283 IonicContact CZ-OE1 2.92Å; R43-E283 IonicContact CZ-OE2 3.88Å; R43-E283 IonicContact NH1-OE1 2.89Å; R43-E283 PolarHBondContact NH1-OE1 2.99Å; R43-E283 IonicContact NH1-OE2 3.52Å; R43-E283 VanDerWaalsContact NH2-CD 3.29Å; R43-E283 IonicContact NH2-OE1 3.38Å; R43-E283 PolarHBondContact NH2-OE1 3.47Å; R43-E283 IonicContact NH2-OE2 3.77Å; R43-E283 PolarHBondContact NH2-OE2 2.8Å |
| 44 | G | 88.4 | Confident | 93.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -172.2 | 125.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q41 R93 | Q41-G44 PolarHBondContact NE2-O 2.97Å; Q41-G44 CarbonylContact O-C 3.53Å; Q41-G44 PolarHBondContact O-N 3.47Å; G44-R93 CarbonylContact C-O 3.5Å; G44-R93 VanDerWaalsContact C-O 3.29Å; G44-R93 VanDerWaalsContact CA-C 3.47Å; G44-R93 WeakPolarHBondContact CA-O 3.24Å | ||
| 45 | Q | 88 | Confident | 93.1 | Very high | 71 Ų | 71 | 18.1 Ų | 18.1 | 33% | 0.332 | 10% | 0.097 | S | C | . | . | trans | -132.3 | 3.4 | -175 | -74.7 | 177.8 | 19.3 | 0 | 0 | 112.9 | Q41 L69 R93 | Q41-Q45 HydrophobicContact CG-CG 4.26Å; Q41-Q45 VanDerWaalsContact O-CG 3.28Å; Q41-Q45 WeakPolarHBondContact O-CG 3.41Å; Q45-L69 HydrophobicContact CB-CD2 3.81Å; Q45-L69 HydrophobicContact CG-CD2 3.77Å; Q45-R93 PolarHBondContact N-O 2.84Å | ||
| 46 | E | 86.5 | Confident | 92.5 | Very high | 17 Ų | 17 | 17.4 Ų | 17.4 | 8% | 0.079 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -91 | -37.9 | -175.4 | -63.6 | -172.6 | 175.5 | 0 | 0 | 112.8 | M67 G68 R93 A95 | E46-M67 WeakPolarHBondContact O-CE 3.48Å; E46-G68 PolarHBondContact O-N 3.2Å; E46-R93 PolarHBondContact N-O 3.25Å; E46-A95 VanDerWaalsContact CD-N 3.33Å; E46-A95 WeakPolarHBondContact OE2-CB 3.36Å; E46-A95 PolarHBondContact OE2-N 3.26Å |
| 47 | S | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 164.6 | 172.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | G66 T92 R93 C105 | S47-G66 WeakPolarHBondContact CA-O 3.44Å; S47-G66 VanDerWaalsContact CB-O 3.25Å; S47-G66 WeakPolarHBondContact CB-O 3.17Å; S47-T92 CarbonylContact O-C 3.52Å; S47-R93 PolarHBondContact O-N 3.01Å; S47-R93 WeakPolarHBondContact OG-CB 3.44Å; S47-C105 WeakPolarHBondContact CB-SG 3.31Å; S47-C105 PolarHBondContact OG-SG 3.07Å |
| 48 | A | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K65 G66 V70 V73 F74 H91 | A48-K65 WeakPolarHBondContact O-CA 3.32Å; A48-G66 PolarHBondContact N-O 3.25Å; A48-G66 PolarHBondContact O-N 3.5Å; A48-V70 HydrophobicContact CB-CG2 3.92Å; A48-V73 HydrophobicContact CB-CB 4.43Å; A48-V73 HydrophobicContact CB-CG2 4.29Å; A48-F74 HydrophobicContact CB-CE2 3.71Å; A48-F74 HydrophobicContact CB-CZ 4.46Å; A48-H91 CarbonylContact C-O 3.35Å; A48-H91 VanDerWaalsContact CA-O 3.24Å; A48-H91 WeakPolarHBondContact CA-O 3.5Å |
| 49 | G | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 147.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H64 G90 H91 Q106 P107 | G49-H64 WeakPolarHBondContact CA-O 3.43Å; G49-G90 CarbonylContact O-C 3.56Å; G49-G90 WeakPolarHBondContact O-CA 3.34Å; G49-H91 PolarHBondContact N-O 3Å; G49-H91 PolarHBondContact O-N 2.79Å; G49-Q106 VanDerWaalsContact CA-O 3.32Å; G49-Q106 WeakPolarHBondContact CA-O 3.21Å; G49-P107 WeakPolarHBondContact O-CD 3.32Å |
| 50 | I | 97.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.4 | 175.4 | -66.1 | 172.8 | 0 | 0 | 0 | 108.4 | I33 T34 L37 T52 H64 F74 L82 I89 | I33-I50 HydrophobicContact CB-CD1 4.23Å; I33-I50 HydrophobicContact CD1-CG2 4.36Å; I33-I50 HydrophobicContact CG2-CD1 3.75Å; I33-I50 HydrophobicContact CG2-CG1 3.73Å; I33-I50 HydrophobicContact CG2-CG2 4.27Å; T34-I50 VanDerWaalsContact OG1-CD1 3.3Å; T34-I50 WeakPolarHBondContact OG1-CD1 3.48Å; L37-I50 HydrophobicContact CD1-CD1 4.17Å; L37-I50 HydrophobicContact CD1-CG1 3.84Å; I50-T52 HydrophobicContact CG2-CG2 3.89Å; I50-H64 PolarHBondContact N-O 2.79Å; I50-H64 PolarHBondContact O-N 3.07Å; I50-F74 HydrophobicContact CB-CE1 3.75Å; I50-F74 HydrophobicContact CB-CZ 3.91Å; I50-F74 HydrophobicContact CD1-CD1 3.87Å; I50-F74 HydrophobicContact CD1-CD2 4.22Å; I50-F74 HydrophobicContact CD1-CE1 3.58Å; I50-F74 HydrophobicContact CD1-CE2 3.95Å; I50-F74 HydrophobicContact CD1-CG 4.19Å; I50-F74 HydrophobicContact CD1-CZ 3.65Å; I50-F74 HydrophobicContact CG1-CD1 4.43Å; I50-F74 HydrophobicContact CG1-CE1 3.63Å; I50-F74 HydrophobicContact CG1-CE2 4.02Å; I50-F74 HydrophobicContact CG1-CZ 3.42Å; I50-F74 VanDerWaalsContact CG1-CZ 3.42Å; I50-L82 HydrophobicContact CB-CD1 3.91Å; I50-L82 HydrophobicContact CD1-CD1 4.46Å; I50-L82 HydrophobicContact CG2-CD1 3.72Å; I50-I89 WeakPolarHBondContact CA-O 3.36Å |
| 51 | V | 96.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | Y61 K62 V63 G88 I89 P107 V109 A118 M189 | V51-Y61 HydrophobicContact CG1-CD1 3.65Å; V51-Y61 HydrophobicContact CG1-CE1 4.43Å; V51-Y61 HydrophobicContact CG1-CG 4.44Å; V51-K62 CarbonylContact C-O 3.48Å; V51-K62 VanDerWaalsContact CA-O 3.24Å; V51-K62 WeakPolarHBondContact CA-O 3.26Å; V51-V63 HydrophobicContact CG1-CG2 4.04Å; V51-V63 HydrophobicContact CG2-CB 4.37Å; V51-V63 HydrophobicContact CG2-CG1 4.06Å; V51-V63 HydrophobicContact CG2-CG2 3.94Å; V51-G88 CarbonylContact O-C 3.57Å; V51-G88 WeakPolarHBondContact O-CA 3.18Å; V51-I89 HydrophobicContact CB-CG1 4.42Å; V51-I89 PolarHBondContact N-O 2.71Å; V51-I89 PolarHBondContact O-N 3.4Å; V51-P107 HydrophobicContact CB-CB 4.49Å; V51-P107 HydrophobicContact CB-CG 4.43Å; V51-P107 HydrophobicContact CG2-CB 3.79Å; V51-P107 HydrophobicContact CG2-CG 3.89Å; V51-V109 HydrophobicContact CB-CG2 4.46Å; V51-V109 HydrophobicContact CG1-CG2 3.88Å; V51-V109 HydrophobicContact CG2-CG2 3.78Å; V51-A118 HydrophobicContact CB-CB 4.24Å; V51-A118 HydrophobicContact CG1-CB 3.87Å; V51-M189 HydrophobicContact CB-CE 4.42Å; V51-M189 HydrophobicContact CG1-CE 3.78Å |
| 52 | T | 96.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 156.4 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | P30 I50 Y61 K62 L82 S85 L87 | P30-T52 HydrophobicContact CG-CG2 4.15Å; I50-T52 HydrophobicContact CG2-CG2 3.89Å; T52-Y61 WeakPolarHBondContact O-CA 3.36Å; T52-K62 PolarHBondContact N-O 2.99Å; T52-K62 PolarHBondContact O-N 2.88Å; T52-L82 HydrophobicContact CG2-CB 4.37Å; T52-L82 PolarHBondContact OG1-O 3.41Å; T52-S85 VanDerWaalsContact CB-OG 3.28Å; T52-S85 WeakPolarHBondContact CB-OG 3.3Å; T52-S85 WeakPolarHBondContact CG2-OG 3.23Å; T52-L87 WeakPolarHBondContact CA-O 3.21Å |
| 53 | S | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.8 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | G55 P59 T60 S85 N86 L87 | S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact OG-N 3.29Å; S53-G55 VanDerWaalsContact OG-N 3.07Å; S53-P59 WeakPolarHBondContact OG-CB 3.47Å; S53-T60 WeakPolarHBondContact CA-O 3.4Å; S53-S85 VanDerWaalsContact O-CB 3.25Å; S53-S85 WeakPolarHBondContact O-CB 3.38Å; S53-N86 PolarHBondContact O-N 3.06Å; S53-L87 PolarHBondContact N-O 2.98Å; S53-L87 WeakPolarHBondContact O-CD2 3.04Å; S53-L87 PolarHBondContact O-N 3.33Å |
| 54 | D | 90.4 | Very high | 89.3 | Confident | 56 Ų | 56 | 37.9 Ų | 37.9 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -77.9 | -15.2 | 167.4 | 62.9 | -25 | 0 | 0 | 0 | 112.7 | S56 P59 T60 N86 | D54-S56 VanDerWaalsContact CG-OG 3.28Å; D54-S56 PolarHBondContact O-N 3.09Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; D54-S56 VanDerWaalsContact OD2-CB 3.31Å; D54-S56 WeakPolarHBondContact OD2-CB 3.37Å; D54-S56 PolarHBondContact OD2-OG 3.03Å; D54-P59 WeakPolarHBondContact OD1-CA 3.29Å; D54-T60 PolarHBondContact OD1-N 3.28Å; D54-N86 PolarHBondContact O-ND2 2.83Å | ||
| 55 | G | 86.7 | Confident | 89.6 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | trans | 66.7 | 23 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S53 R191 | S53-G55 VanDerWaalsContact C-N 3.3Å; S53-G55 PolarHBondContact OG-N 3.29Å; S53-G55 VanDerWaalsContact OG-N 3.07Å; G55-R191 WeakPolarHBondContact CA-O 3.35Å | ||
| 56 | S | 82.8 | Confident | 89.8 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | trans | -75.4 | 168.8 | 173.6 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | D54 E58 P59 | D54-S56 VanDerWaalsContact CG-OG 3.28Å; D54-S56 PolarHBondContact O-N 3.09Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; D54-S56 VanDerWaalsContact OD2-CB 3.31Å; D54-S56 WeakPolarHBondContact OD2-CB 3.37Å; D54-S56 PolarHBondContact OD2-OG 3.03Å; S56-E58 PolarHBondContact O-N 3.33Å; S56-E58 PolarHBondContact OG-O 3.06Å; S56-E58 VanDerWaalsContact OG-O 3.13Å; S56-P59 VanDerWaalsContact O-CD 3.27Å; S56-P59 WeakPolarHBondContact O-CD 3.18Å | ||
| 57 | S | 73.9 | Confident | 90 | Very high | 114 Ų | 114 | 40.6 Ų | 40.6 | 80% | 0.797 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -59 | -32.3 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 113 | P59 | S57-P59 WeakPolarHBondContact O-CD 3.28Š|
| 58 | E | 76.8 | Confident | 89.9 | Confident | 174 Ų | 174 | 41.6 Ų | 41.6 | 81% | 0.813 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -113.7 | 77.4 | 169 | -69.9 | -172.8 | -176.4 | 0 | 0 | 108.9 | S56 T60 | S56-E58 PolarHBondContact O-N 3.33Å; S56-E58 PolarHBondContact OG-O 3.06Å; S56-E58 VanDerWaalsContact OG-O 3.13Å; E58-T60 PolarHBondContact O-N 3.13Å |
| 59 | P | 76.4 | Confident | 89.7 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | trans | -68.1 | 133.8 | -165.5 | 27.2 | -35.3 | 0 | 0 | 0 | 111.7 | S53 D54 S56 S57 Y61 R191 | S53-P59 WeakPolarHBondContact OG-CB 3.47Å; D54-P59 WeakPolarHBondContact OD1-CA 3.29Å; S56-P59 VanDerWaalsContact O-CD 3.27Å; S56-P59 WeakPolarHBondContact O-CD 3.18Å; S57-P59 WeakPolarHBondContact O-CD 3.28Å; P59-Y61 HydrophobicContact CB-CD2 4.18Å; P59-Y61 HydrophobicContact CB-CE2 3.75Å; P59-Y61 HydrophobicContact CG-CD2 4.35Å; P59-Y61 HydrophobicContact CG-CE2 3.71Å; P59-R191 HydrophobicContact CG-CG 4.42Å | ||
| 60 | T | 85.4 | Confident | 89.6 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | trans | -89.6 | 113.6 | 172.7 | -64 | 0 | 0 | 0 | 0 | 109.7 | S53 D54 E58 K62 | S53-T60 WeakPolarHBondContact CA-O 3.4Å; D54-T60 PolarHBondContact OD1-N 3.28Å; E58-T60 PolarHBondContact O-N 3.13Å; T60-K62 HydrophobicContact CG2-CD 4.24Å | ||
| 61 | Y | 91.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.6 | 175.2 | -76.7 | -123.3 | 0 | 0 | 0 | 109.6 | V51 T52 P59 V109 K116 A118 M189 H190 | V51-Y61 HydrophobicContact CG1-CD1 3.65Å; V51-Y61 HydrophobicContact CG1-CE1 4.43Å; V51-Y61 HydrophobicContact CG1-CG 4.44Å; T52-Y61 WeakPolarHBondContact O-CA 3.36Å; P59-Y61 HydrophobicContact CB-CD2 4.18Å; P59-Y61 HydrophobicContact CB-CE2 3.75Å; P59-Y61 HydrophobicContact CG-CD2 4.35Å; P59-Y61 HydrophobicContact CG-CE2 3.71Å; Y61-V109 HydrophobicContact CD1-CG1 4.03Å; Y61-V109 HydrophobicContact CG-CG1 4.49Å; Y61-K116 HydrophobicContact CD1-CB 4.49Å; Y61-K116 HydrophobicContact CD2-CB 3.86Å; Y61-K116 HydrophobicContact CD2-CD 4.15Å; Y61-K116 HydrophobicContact CE1-CB 4.45Å; Y61-K116 HydrophobicContact CE2-CB 3.82Å; Y61-K116 HydrophobicContact CG-CB 4.24Å; Y61-K116 HydrophobicContact CG-CD 4.31Å; Y61-K116 PolarHBondContact OH-O 3.05Å; Y61-A118 HydrophobicContact CD1-CB 3.98Å; Y61-A118 HydrophobicContact CE1-CB 3.63Å; Y61-M189 HydrophobicContact CD1-CE 3.73Å; Y61-M189 HydrophobicContact CE1-CE 3.38Å; Y61-M189 PolarHBondContact OH-O 2.96Å; Y61-H190 WeakPolarHBondContact OH-CA 3.49Å |
| 62 | K | 93.1 | Very high | 89.1 | Confident | 88 Ų | 88 | 56 Ų | 56 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.2 | 170 | -61.1 | -59.8 | -174.2 | -173 | 0 | 109 | V51 T52 T60 L82 | V51-K62 CarbonylContact C-O 3.48Å; V51-K62 VanDerWaalsContact CA-O 3.24Å; V51-K62 WeakPolarHBondContact CA-O 3.26Å; T52-K62 PolarHBondContact N-O 2.99Å; T52-K62 PolarHBondContact O-N 2.88Å; T60-K62 HydrophobicContact CG2-CD 4.24Å; K62-L82 HydrophobicContact CB-CD2 4.19Å |
| 63 | V | 93.8 | Very high | 88.9 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.3 | -172.8 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | V51 K65 V109 | V51-V63 HydrophobicContact CG1-CG2 4.04Å; V51-V63 HydrophobicContact CG2-CB 4.37Å; V51-V63 HydrophobicContact CG2-CG1 4.06Å; V51-V63 HydrophobicContact CG2-CG2 3.94Å; V63-K65 HydrophobicContact CG1-CD 4.05Å; V63-K65 HydrophobicContact CG1-CG 3.91Å; V63-V109 HydrophobicContact CG2-CG2 3.75Å |
| 64 | H | 95.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.1 | 166.6 | -173.7 | 72.2 | 0 | 0 | 0 | 109.7 | G49 I50 V73 F74 N78 L82 | G49-H64 WeakPolarHBondContact CA-O 3.43Å; I50-H64 PolarHBondContact N-O 2.79Å; I50-H64 PolarHBondContact O-N 3.07Å; H64-V73 PolarHBondContact NE2-O 2.73Å; H64-F74 HydrophobicContact CB-CE1 4.3Å; H64-F74 AromaticContact CD2-CD1 3.68Å; H64-F74 AromaticContact CD2-CE1 3.58Å; H64-N78 PolarHBondContact CE1-ND2 3.39Å; H64-N78 WeakPolarHBondContact NE2-CB 3.49Å; H64-N78 PolarHBondContact NE2-ND2 3.47Å; H64-L82 HydrophobicContact CB-CD1 4.39Å; H64-L82 HydrophobicContact CB-CD2 3.92Å; H64-L82 HydrophobicContact CB-CG 4.25Å |
| 65 | K | 94.4 | Very high | 88.9 | Confident | 54 Ų | 54 | 56.9 Ų | 56.9 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.2 | -176.4 | -57 | 176 | 179.4 | -177.9 | 0 | 109.7 | A48 V63 C105 P107 | A48-K65 WeakPolarHBondContact O-CA 3.32Å; V63-K65 HydrophobicContact CG1-CD 4.05Å; V63-K65 HydrophobicContact CG1-CG 3.91Å; K65-C105 HydrophobicContact CB-CB 4.02Å; K65-C105 HydrophobicContact CD-CB 3.92Å; K65-C105 VanDerWaalsContact CD-O 3.32Å; K65-C105 WeakPolarHBondContact CD-O 3.32Å; K65-C105 WeakPolarHBondContact CE-O 3.43Å; K65-C105 HydrophobicContact CG-CB 4.42Å; K65-C105 PolarHBondContact NZ-O 3.3Å; K65-P107 WeakPolarHBondContact CE-O 3.35Å; K65-P107 PolarHBondContact NZ-O 3.38Å |
| 66 | G | 92.2 | Very high | 89 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 161.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | S47 A48 V73 | S47-G66 WeakPolarHBondContact CA-O 3.44Å; S47-G66 VanDerWaalsContact CB-O 3.25Å; S47-G66 WeakPolarHBondContact CB-O 3.17Å; A48-G66 PolarHBondContact N-O 3.25Å; A48-G66 PolarHBondContact O-N 3.5Å; G66-V73 WeakPolarHBondContact O-CG2 3.36Å |
| 67 | M | 91.4 | Very high | 89.2 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 145.6 | 173.3 | -60.8 | -56.4 | -67.6 | 0 | 0 | 110.7 | E46 C100 L102 | E46-M67 WeakPolarHBondContact O-CE 3.48Å; M67-C100 WeakPolarHBondContact CE-SG 3.49Å; M67-L102 HydrophobicContact CG-CD1 4.43Å |
| 68 | G | 89.3 | Confident | 89.9 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 102.2 | -162 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E46 | E46-G68 PolarHBondContact O-N 3.2Š|
| 69 | L | 91.2 | Very high | 90.4 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 32% | 0.319 | 29% | 0.292 | S | S | . | . | trans | -71.6 | 154.2 | -178.5 | -56.7 | 178.2 | 0 | 0 | 0 | 111.4 | Q41 Q45 N71 H72 V73 | Q41-L69 HydrophobicContact CG-CD2 4.3Å; Q45-L69 HydrophobicContact CB-CD2 3.81Å; Q45-L69 HydrophobicContact CG-CD2 3.77Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.4Å; L69-H72 WeakPolarHBondContact O-CB 3.36Å; L69-H72 PolarHBondContact O-N 3.16Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 2.79Å; L69-V73 VanDerWaalsContact O-N 3.07Å | ||
| 70 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -52.4 | -48.1 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | T34 L37 V38 Q41 A48 H72 V73 F74 T92 | T34-V70 HydrophobicContact CG2-CG1 3.93Å; L37-V70 HydrophobicContact CB-CG1 4.05Å; L37-V70 HydrophobicContact CB-CG2 3.89Å; V38-V70 HydrophobicContact CG2-CB 4.11Å; V38-V70 HydrophobicContact CG2-CG1 3.72Å; Q41-V70 VanDerWaalsContact OE1-CG2 3.26Å; A48-V70 HydrophobicContact CB-CG2 3.92Å; V70-H72 PolarHBondContact O-N 3.04Å; V70-V73 PolarHBondContact O-N 3.41Å; V70-V73 VanDerWaalsContact O-N 3.12Å; V70-F74 HydrophobicContact CG1-CD2 3.78Å; V70-F74 HydrophobicContact CG1-CE2 4.31Å; V70-F74 WeakPolarHBondContact O-CD2 3.38Å; V70-F74 PolarHBondContact O-N 2.9Å; V70-T92 HydrophobicContact CG2-CG2 3.43Å; V70-T92 VanDerWaalsContact CG2-CG2 3.43Å |
| 71 | N | 91.7 | Very high | 90.9 | Very high | 105 Ų | 105 | 62.5 Ų | 62.5 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.6 | -20.6 | -179.6 | -67.8 | -12.5 | 0 | 0 | 0 | 114.3 | V38 L69 | V38-N71 WeakPolarHBondContact CG2-OD1 3.36Å; L69-N71 VanDerWaalsContact C-N 3.29Å; L69-N71 PolarHBondContact O-N 3.4Å |
| 72 | H | 91.6 | Very high | 90.5 | Very high | 135 Ų | 135 | 61.7 Ų | 61.7 | 63% | 0.625 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -86.4 | -33.6 | 174.5 | -63.9 | 170.4 | 0 | 0 | 0 | 111.6 | L69 V70 | L69-H72 WeakPolarHBondContact O-CB 3.36Å; L69-H72 PolarHBondContact O-N 3.16Å; V70-H72 PolarHBondContact O-N 3.04Å |
| 73 | V | 92.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.5 | -43.2 | -179.7 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | A48 H64 G66 L69 V70 N78 | A48-V73 HydrophobicContact CB-CB 4.43Å; A48-V73 HydrophobicContact CB-CG2 4.29Å; H64-V73 PolarHBondContact NE2-O 2.73Å; G66-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 2.79Å; L69-V73 VanDerWaalsContact O-N 3.07Å; V70-V73 PolarHBondContact O-N 3.41Å; V70-V73 VanDerWaalsContact O-N 3.12Å; V73-N78 PolarHBondContact O-ND2 3.46Å |
| 74 | F | 93.6 | Very high | 88 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.044 | 33% | 0.334 | C | S | . | . | trans | -106.2 | 76.1 | -174.6 | -57.2 | -73.5 | 0 | 0 | 0 | 111.7 | T34 L37 A48 I50 H64 V70 L79 L82 | T34-F74 HydrophobicContact CG2-CB 3.91Å; T34-F74 HydrophobicContact CG2-CD2 4.43Å; T34-F74 HydrophobicContact CG2-CG 4.38Å; L37-F74 HydrophobicContact CD1-CE2 4.47Å; A48-F74 HydrophobicContact CB-CE2 3.71Å; A48-F74 HydrophobicContact CB-CZ 4.46Å; I50-F74 HydrophobicContact CB-CE1 3.75Å; I50-F74 HydrophobicContact CB-CZ 3.91Å; I50-F74 HydrophobicContact CD1-CD1 3.87Å; I50-F74 HydrophobicContact CD1-CD2 4.22Å; I50-F74 HydrophobicContact CD1-CE1 3.58Å; I50-F74 HydrophobicContact CD1-CE2 3.95Å; I50-F74 HydrophobicContact CD1-CG 4.19Å; I50-F74 HydrophobicContact CD1-CZ 3.65Å; I50-F74 HydrophobicContact CG1-CD1 4.43Å; I50-F74 HydrophobicContact CG1-CE1 3.63Å; I50-F74 HydrophobicContact CG1-CE2 4.02Å; I50-F74 HydrophobicContact CG1-CZ 3.42Å; I50-F74 VanDerWaalsContact CG1-CZ 3.42Å; H64-F74 HydrophobicContact CB-CE1 4.3Å; H64-F74 AromaticContact CD2-CD1 3.68Å; H64-F74 AromaticContact CD2-CE1 3.58Å; V70-F74 HydrophobicContact CG1-CD2 3.78Å; V70-F74 HydrophobicContact CG1-CE2 4.31Å; V70-F74 WeakPolarHBondContact O-CD2 3.38Å; V70-F74 PolarHBondContact O-N 2.9Å; F74-L79 HydrophobicContact CB-CD2 4.01Å; F74-L79 HydrophobicContact CB-CG 4.18Å; F74-L79 HydrophobicContact CD1-CD2 4.21Å; F74-L79 HydrophobicContact CG-CD2 4.43Å; F74-L82 HydrophobicContact CD1-CD1 4.43Å; F74-L82 HydrophobicContact CE1-CD1 4.38Å | ||
| 75 | T | 91.4 | Very high | 87.5 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | trans | -74.2 | 163 | 165.8 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | D77 N78 L79 | T75-D77 PolarHBondContact O-N 2.89Å; T75-D77 VanDerWaalsContact O-N 3.16Å; T75-N78 PolarHBondContact O-N 2.87Å; T75-N78 PolarHBondContact OG1-N 3.22Å; T75-N78 PolarHBondContact OG1-ND2 3.29Å; T75-L79 PolarHBondContact O-N 3.24Å | ||
| 76 | E | 87.8 | Confident | 87.4 | Confident | 153 Ų | 153 | 63.5 Ų | 63.5 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -51.1 | -40.8 | 175.9 | -68.7 | -175.5 | 179.6 | 0 | 0 | 112.5 | L79 K80 | E76-L79 PolarHBondContact O-N 2.94Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 2.96Å; E76-K80 VanDerWaalsContact O-N 3.07Å |
| 77 | D | 87.4 | Confident | 87.7 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.6 | -31.5 | 179.7 | -67.9 | -27.2 | 0 | 0 | 0 | 113.4 | T75 K80 | T75-D77 PolarHBondContact O-N 2.89Å; T75-D77 VanDerWaalsContact O-N 3.16Å; D77-K80 IonicContact OD1-NZ 3.83Å; D77-K80 PolarHBondContact OD1-NZ 2.69Å |
| 78 | N | 88.4 | Confident | 87.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -76.1 | -35.8 | 174.3 | -72.9 | -23.6 | 0 | 0 | 0 | 111.6 | H64 V73 T75 K80 K81 | H64-N78 PolarHBondContact CE1-ND2 3.39Å; H64-N78 WeakPolarHBondContact NE2-CB 3.49Å; H64-N78 PolarHBondContact NE2-ND2 3.47Å; V73-N78 PolarHBondContact O-ND2 3.46Å; T75-N78 PolarHBondContact O-N 2.87Å; T75-N78 PolarHBondContact OG1-N 3.22Å; T75-N78 PolarHBondContact OG1-ND2 3.29Å; N78-K80 VanDerWaalsContact C-N 3.34Å; N78-K80 PolarHBondContact O-N 2.92Å; N78-K81 WeakPolarHBondContact O-CB 3.43Å; N78-K81 PolarHBondContact O-N 3.27Å; N78-K81 VanDerWaalsContact O-N 3.16Å; N78-K81 PolarHBondContact OD1-NZ 3.26Å |
| 79 | L | 87.9 | Confident | 88.4 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -39 | 175.1 | -73.1 | 174 | 0 | 0 | 0 | 112.1 | P30 T34 F74 T75 E76 K81 L82 | P30-L79 HydrophobicContact CB-CD2 4.28Å; T34-L79 WeakPolarHBondContact OG1-CD2 3.36Å; F74-L79 HydrophobicContact CB-CD2 4.01Å; F74-L79 HydrophobicContact CB-CG 4.18Å; F74-L79 HydrophobicContact CD1-CD2 4.21Å; F74-L79 HydrophobicContact CG-CD2 4.43Å; T75-L79 PolarHBondContact O-N 3.24Å; E76-L79 PolarHBondContact O-N 2.94Å; L79-K81 PolarHBondContact O-N 3.41Å; L79-K81 VanDerWaalsContact O-N 3.09Å; L79-L82 HydrophobicContact CD2-CD1 4.26Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.07Å |
| 80 | K | 86.1 | Confident | 88.7 | Confident | 125 Ų | 125 | 55.2 Ų | 55.2 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.3 | -28.9 | 174 | -72.2 | 168.3 | -162.1 | 159.9 | 0 | 113 | E76 D77 N78 L82 Y83 | E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 2.96Å; E76-K80 VanDerWaalsContact O-N 3.07Å; D77-K80 IonicContact OD1-NZ 3.83Å; D77-K80 PolarHBondContact OD1-NZ 2.69Å; N78-K80 VanDerWaalsContact C-N 3.34Å; N78-K80 PolarHBondContact O-N 2.92Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.44Å; K80-Y83 PolarHBondContact O-N 2.84Å |
| 81 | K | 84.9 | Confident | 88.9 | Confident | 116 Ų | 116 | 55.2 Ų | 55.2 | 50% | 0.504 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.2 | 178 | -58.8 | 170.9 | -174.7 | 164 | 0 | 113.3 | N78 L79 Y83 | N78-K81 WeakPolarHBondContact O-CB 3.43Å; N78-K81 PolarHBondContact O-N 3.27Å; N78-K81 VanDerWaalsContact O-N 3.16Å; N78-K81 PolarHBondContact OD1-NZ 3.26Å; L79-K81 PolarHBondContact O-N 3.41Å; L79-K81 VanDerWaalsContact O-N 3.09Å; K81-Y83 VanDerWaalsContact C-N 3.33Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.49Å |
| 82 | L | 82.7 | Confident | 89 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.2 | 177.9 | -64.9 | 172.7 | 0 | 0 | 0 | 112.6 | P30 I50 T52 K62 H64 F74 L79 K80 | P30-L82 HydrophobicContact CB-CB 3.98Å; P30-L82 HydrophobicContact CB-CD1 4.21Å; P30-L82 HydrophobicContact CG-CB 3.96Å; I50-L82 HydrophobicContact CB-CD1 3.91Å; I50-L82 HydrophobicContact CD1-CD1 4.46Å; I50-L82 HydrophobicContact CG2-CD1 3.72Å; T52-L82 HydrophobicContact CG2-CB 4.37Å; T52-L82 PolarHBondContact OG1-O 3.41Å; K62-L82 HydrophobicContact CB-CD2 4.19Å; H64-L82 HydrophobicContact CB-CD1 4.39Å; H64-L82 HydrophobicContact CB-CD2 3.92Å; H64-L82 HydrophobicContact CB-CG 4.25Å; F74-L82 HydrophobicContact CD1-CD1 4.43Å; F74-L82 HydrophobicContact CE1-CD1 4.38Å; L79-L82 HydrophobicContact CD2-CD1 4.26Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 3.07Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.44Å |
| 83 | Y | 68.1 | Low | 88.8 | Confident | 158 Ų | 158 | 44 Ų | 44 | 62% | 0.62 | 21% | 0.214 | S | C | * | . | trans | 51.9 | 169.3 | 176.4 | -69 | -82.9 | 0 | 0 | 0 | 115.5 | P30 K80 K81 S85 | P30-Y83 VanDerWaalsContact CG-O 3.31Å; P30-Y83 WeakPolarHBondContact CG-O 3.23Å; K80-Y83 PolarHBondContact O-N 2.84Å; K81-Y83 VanDerWaalsContact C-N 3.33Å; K81-Y83 VanDerWaalsContact O-CD2 3.25Å; K81-Y83 WeakPolarHBondContact O-CD2 3.49Å; Y83-S85 PolarHBondContact O-N 2.78Å; Y83-S85 PolarHBondContact O-OG 2.81Å; Y83-S85 VanDerWaalsContact O-OG 3.1Å | ||
| 84 | V | 66.9 | Low | 88 | Confident | 110 Ų | 110 | 44.5 Ų | 44.5 | 67% | 0.667 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -60.1 | 112.6 | 169.3 | -179 | 0 | 0 | 0 | 0 | 107.6 | T25 | T25-V84 WeakPolarHBondContact O-CG1 3.25Š|
| 85 | S | 84.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | trans | -130.4 | 153.1 | -175.2 | 38.5 | 0 | 0 | 0 | 0 | 108.2 | V29 P30 T52 S53 Y83 | V29-S85 WeakPolarHBondContact CB-O 3.02Å; V29-S85 VanDerWaalsContact CG2-O 3.23Å; V29-S85 WeakPolarHBondContact CG2-O 3.38Å; P30-S85 WeakPolarHBondContact CD-OG 3.47Å; T52-S85 VanDerWaalsContact CB-OG 3.28Å; T52-S85 WeakPolarHBondContact CB-OG 3.3Å; T52-S85 WeakPolarHBondContact CG2-OG 3.23Å; S53-S85 VanDerWaalsContact O-CB 3.25Å; S53-S85 WeakPolarHBondContact O-CB 3.38Å; Y83-S85 PolarHBondContact O-N 2.78Å; Y83-S85 PolarHBondContact O-OG 2.81Å; Y83-S85 VanDerWaalsContact O-OG 3.1Å | ||
| 86 | N | 93.9 | Very high | 84.8 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -91.2 | -23.7 | -174.6 | -64.7 | -47.4 | 0 | 0 | 0 | 112.2 | A19 W23 P24 T25 S53 D54 | A19-N86 PolarHBondContact N-O 3.22Å; W23-N86 HydrophobicContact CD2-CB 3.43Å; W23-N86 VanDerWaalsContact CD2-CB 3.43Å; W23-N86 VanDerWaalsContact CD2-CG 3.49Å; W23-N86 HydrophobicContact CE3-CB 3.71Å; W23-N86 HydrophobicContact CG-CB 3.86Å; W23-N86 VanDerWaalsContact CG-CG 3.42Å; W23-N86 HydrophobicContact CH2-CB 4.12Å; W23-N86 HydrophobicContact CZ2-CB 3.84Å; W23-N86 HydrophobicContact CZ3-CB 4.07Å; P24-N86 WeakPolarHBondContact CA-OD1 3.41Å; T25-N86 WeakPolarHBondContact CG2-OD1 3.36Å; T25-N86 PolarHBondContact N-OD1 2.84Å; S53-N86 PolarHBondContact O-N 3.06Å; D54-N86 PolarHBondContact O-ND2 2.83Å |
| 87 | L | 96.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 158.2 | 179.1 | 70.4 | 165.9 | 0 | 0 | 0 | 111.6 | C17 I18 W23 T52 S53 M189 I194 | C17-L87 CarbonylContact O-C 3.27Å; C17-L87 VanDerWaalsContact O-CA 3.24Å; C17-L87 WeakPolarHBondContact O-CA 3.2Å; I18-L87 HydrophobicContact CB-CB 3.96Å; I18-L87 HydrophobicContact CD1-CB 4.13Å; I18-L87 HydrophobicContact CD1-CD1 4.15Å; I18-L87 HydrophobicContact CG1-CB 3.89Å; W23-L87 HydrophobicContact CH2-CD2 3.97Å; W23-L87 HydrophobicContact CZ3-CD2 4.26Å; T52-L87 WeakPolarHBondContact CA-O 3.21Å; S53-L87 PolarHBondContact N-O 2.98Å; S53-L87 WeakPolarHBondContact O-CD2 3.04Å; S53-L87 PolarHBondContact O-N 3.33Å; L87-M189 HydrophobicContact CD1-CG 3.86Å; L87-M189 HydrophobicContact CD1-SD 4.02Å; L87-M189 HydrophobicContact CG-CG 4.39Å; L87-M189 HydrophobicContact CG-SD 3.89Å; L87-I194 HydrophobicContact CB-CD1 4.37Å; L87-I194 HydrophobicContact CD1-CG1 4.08Å |
| 88 | G | 97.3 | Very high | 82 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 162.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G16 C17 I33 V51 | G16-G88 WeakPolarHBondContact CA-O 3.22Å; C17-G88 PolarHBondContact N-O 3.12Å; C17-G88 PolarHBondContact O-N 2.92Å; I33-G88 WeakPolarHBondContact CD1-O 3.42Å; V51-G88 CarbonylContact O-C 3.57Å; V51-G88 WeakPolarHBondContact O-CA 3.18Å |
| 89 | I | 98.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.4 | 172.7 | 60.4 | 169.5 | 0 | 0 | 0 | 110 | F15 I50 V51 P107 A118 A120 L187 M189 I194 | F15-I89 CarbonylContact O-C 3.59Å; F15-I89 WeakPolarHBondContact O-CA 3.46Å; I50-I89 WeakPolarHBondContact CA-O 3.36Å; V51-I89 HydrophobicContact CB-CG1 4.42Å; V51-I89 PolarHBondContact N-O 2.71Å; V51-I89 PolarHBondContact O-N 3.4Å; I89-P107 HydrophobicContact CD1-CB 3.82Å; I89-P107 HydrophobicContact CD1-CG 4.17Å; I89-P107 HydrophobicContact CG1-CB 4.08Å; I89-P107 HydrophobicContact CG1-CG 3.94Å; I89-A118 HydrophobicContact CD1-CB 3.76Å; I89-A118 WeakPolarHBondContact CD1-O 3.22Å; I89-A118 HydrophobicContact CG1-CB 4.29Å; I89-A120 HydrophobicContact CD1-CB 4.16Å; I89-L187 HydrophobicContact CB-CB 4.48Å; I89-L187 HydrophobicContact CG2-CB 3.96Å; I89-L187 HydrophobicContact CG2-CD1 4.29Å; I89-M189 HydrophobicContact CD1-CB 4.15Å; I89-M189 HydrophobicContact CG1-CB 4.31Å; I89-M189 HydrophobicContact CG2-CB 4.17Å; I89-I194 HydrophobicContact CG2-CD1 3.97Å; I89-I194 HydrophobicContact CG2-CG1 4.32Å; I89-I194 HydrophobicContact CG2-CG2 4.13Å |
| 90 | G | 97.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F15 G49 | F15-G90 PolarHBondContact N-O 3.1Å; F15-G90 PolarHBondContact O-N 2.98Å; G49-G90 CarbonylContact O-C 3.56Å; G49-G90 WeakPolarHBondContact O-CA 3.34Å |
| 91 | H | 97.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 138.9 | -174.6 | -178.7 | -85.2 | 0 | 0 | 0 | 111.8 | C12 G13 A48 G49 Q106 P107 A120 H121 | C12-H91 WeakPolarHBondContact CB-NE2 3.49Å; C12-H91 PolarHBondContact SG-CE1 2.96Å; C12-H91 PolarHBondContact SG-NE2 3.45Å; G13-H91 CarbonylContact O-C 2.99Å; G13-H91 VanDerWaalsContact O-CA 3.25Å; G13-H91 WeakPolarHBondContact O-CA 3.44Å; A48-H91 CarbonylContact C-O 3.35Å; A48-H91 VanDerWaalsContact CA-O 3.24Å; A48-H91 WeakPolarHBondContact CA-O 3.5Å; G49-H91 PolarHBondContact N-O 3Å; G49-H91 PolarHBondContact O-N 2.79Å; H91-Q106 HydrophobicContact CB-CB 3.84Å; H91-Q106 VanDerWaalsContact CG-CB 3.48Å; H91-Q106 PolarHBondContact NE2-NE2 3.3Å; H91-P107 HydrophobicContact CB-CG 4.38Å; H91-A120 HydrophobicContact CB-CB 4.36Å; H91-H121 PolarHBondContact NE2-O 2.85Å |
| 92 | T | 94.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.6 | 161.3 | 53.3 | 0 | 0 | 0 | 0 | 108.7 | C12 G13 L37 S47 V70 | C12-T92 CarbonylContact C-O 3.5Å; C12-T92 WeakPolarHBondContact CA-O 3.3Å; C12-T92 WeakPolarHBondContact CB-O 3.46Å; G13-T92 WeakPolarHBondContact CA-OG1 3.41Å; G13-T92 PolarHBondContact N-O 2.74Å; G13-T92 VanDerWaalsContact N-O 3.09Å; G13-T92 PolarHBondContact N-OG1 2.78Å; G13-T92 VanDerWaalsContact N-OG1 3.1Å; G13-T92 PolarHBondContact O-N 3.06Å; L37-T92 HydrophobicContact CB-CG2 4.02Å; L37-T92 HydrophobicContact CD2-CG2 4.13Å; S47-T92 CarbonylContact O-C 3.52Å; V70-T92 HydrophobicContact CG2-CG2 3.43Å; V70-T92 VanDerWaalsContact CG2-CG2 3.43Å |
| 93 | R | 88.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.6 | -176.7 | -170.7 | 172.5 | 173.7 | -128.1 | 1.4 | 112.4 | G44 Q45 E46 S47 T97 K99 N104 | G44-R93 CarbonylContact C-O 3.5Å; G44-R93 VanDerWaalsContact C-O 3.29Å; G44-R93 VanDerWaalsContact CA-C 3.47Å; G44-R93 WeakPolarHBondContact CA-O 3.24Å; Q45-R93 PolarHBondContact N-O 2.84Å; E46-R93 PolarHBondContact N-O 3.25Å; S47-R93 PolarHBondContact O-N 3.01Å; S47-R93 WeakPolarHBondContact OG-CB 3.44Å; R93-T97 PolarHBondContact NH2-O 3.31Å; R93-K99 PolarHBondContact NH1-O 3.28Å; R93-K99 PolarHBondContact NH2-O 3.43Å; R93-N104 WeakPolarHBondContact CD-O 3.48Å; R93-N104 VanDerWaalsContact CZ-CB 3.45Å |
| 94 | Y | 75 | Confident | 80.1 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | trans | -117 | 150.4 | 153.6 | -143.9 | -73.9 | 0 | 0 | 0 | 106.9 | R9 E10 E11 | R9-Y94 HydrophobicContact CB-CD1 4.16Å; R9-Y94 HydrophobicContact CB-CE1 3.88Å; R9-Y94 VanDerWaalsContact CD-CE1 3.5Å; R9-Y94 WeakPolarHBondContact CD-OH 3.27Å; R9-Y94 HydrophobicContact CG-CE1 3.9Å; R9-Y94 HydrophobicContact CG-CE2 4.46Å; R9-Y94 PolarHBondContact NE-OH 2.83Å; R9-Y94 PolarHBondContact NH1-OH 2.75Å; R9-Y94 PolarHBondContact NH2-OH 3.04Å; E10-Y94 WeakPolarHBondContact O-CB 3.28Å; E11-Y94 VanDerWaalsContact OE1-O 3.12Å; E11-Y94 WeakPolarHBondContact OE2-CB 3.1Å | ||
| 95 | A | 61.5 | Low | 81.2 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 13% | 0.132 | 18% | 0.178 | C | C | . | . | trans | -92.7 | 109 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E46 N431 | E46-A95 VanDerWaalsContact CD-N 3.33Å; E46-A95 WeakPolarHBondContact OE2-CB 3.36Å; E46-A95 PolarHBondContact OE2-N 3.26Å; A95-N431 PolarHBondContact O-ND2 2.88Å | ||
| 96 | T | 55.8 | Low | 81.6 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -82.9 | -46.3 | 156.1 | 49.2 | 0 | 0 | 0 | 0 | 111 | E11 N431 | E11-T96 HydrophobicContact CG-CG2 3.13Å; E11-T96 WeakPolarHBondContact CG-OG1 3.27Å; E11-T96 WeakPolarHBondContact OE1-CA 3.35Å; E11-T96 WeakPolarHBondContact OE1-CB 3.33Å; E11-T96 WeakPolarHBondContact OE1-CG2 3.1Å; E11-T96 PolarHBondContact OE1-N 2.89Å; E11-T96 PolarHBondContact OE1-OG1 3.21Å; E11-T96 WeakPolarHBondContact OE2-CG2 3.1Å; E11-T96 PolarHBondContact OE2-N 2.9Å; T96-N431 HydrophobicContact CG2-CB 3.78Å |
| 97 | T | 58.4 | Low | 81.7 | Confident | 51 Ų | 51 | 32.2 Ų | 32.2 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -137.3 | 150.3 | -176.7 | 57 | 0 | 0 | 0 | 0 | 111.3 | R93 E124 | R93-T97 PolarHBondContact NH2-O 3.31Å; T97-E124 VanDerWaalsContact CG2-OE1 3.24Å; T97-E124 WeakPolarHBondContact CG2-OE1 3.41Å |
| 98 | G | 58.3 | Low | 81.6 | Confident | 34 Ų | 34 | 33 Ų | 33 | 35% | 0.351 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 77.3 | 167.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S145 | G98-S145 WeakPolarHBondContact CA-OG 3.3Š|
| 99 | K | 62.8 | Low | 81.4 | Confident | 137 Ų | 137 | 35.2 Ų | 35.2 | 60% | 0.596 | 19% | 0.192 | S | C | * | . | trans | -75.8 | 155.1 | -173.7 | -64.7 | -179 | -178.6 | 175.8 | 0 | 112.2 | R93 E101 N104 | R93-K99 PolarHBondContact NH1-O 3.28Å; R93-K99 PolarHBondContact NH2-O 3.43Å; K99-E101 HydrophobicContact CB-CB 4.44Å; K99-E101 HydrophobicContact CB-CG 3.82Å; K99-E101 WeakPolarHBondContact CD-OE1 3.23Å; K99-E101 IonicContact NZ-OE1 3.77Å; K99-E101 PolarHBondContact O-N 3.12Å; K99-N104 PolarHBondContact O-ND2 3.06Å | ||
| 100 | C | 69.4 | Low | 81.1 | Confident | 77 Ų | 77 | 36.5 Ų | 36.5 | 52% | 0.52 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -76.9 | 69.7 | 171 | -164.9 | 0 | 0 | 0 | 0 | 109.5 | M67 | M67-C100 WeakPolarHBondContact CE-SG 3.49Š|
| 101 | E | 80.1 | Confident | 80.7 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 37% | 0.369 | 23% | 0.227 | S | C | . | . | trans | -126.2 | 151.7 | -175.2 | -72.3 | 170.9 | 171.6 | 0 | 0 | 110.4 | K99 E103 N104 | K99-E101 HydrophobicContact CB-CB 4.44Å; K99-E101 HydrophobicContact CB-CG 3.82Å; K99-E101 WeakPolarHBondContact CD-OE1 3.23Å; K99-E101 IonicContact NZ-OE1 3.77Å; K99-E101 PolarHBondContact O-N 3.12Å; E101-E103 PolarHBondContact O-N 3.27Å; E101-N104 PolarHBondContact O-N 3.11Å; E101-N104 VanDerWaalsContact O-N 3.1Å | ||
| 102 | L | 80.8 | Confident | 80.3 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -58.4 | -33.2 | -178.5 | -173.4 | 68.7 | 0 | 0 | 0 | 112.2 | M67 N104 C105 | M67-L102 HydrophobicContact CG-CD1 4.43Å; L102-N104 PolarHBondContact O-N 2.97Å; L102-C105 WeakPolarHBondContact O-CB 3.39Å; L102-C105 PolarHBondContact O-N 2.74Å; L102-C105 PolarHBondContact O-SG 3.18Å |
| 103 | E | 83.1 | Confident | 79.8 | Confident | 123 Ų | 123 | 49.5 Ų | 49.5 | 58% | 0.575 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -60.7 | -30.2 | 179.8 | -61.2 | 176 | -152.3 | 0 | 0 | 112.6 | E101 C105 T144 | E101-E103 PolarHBondContact O-N 3.27Å; E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 3.43Å; E103-T144 HydrophobicContact CB-CG2 4.16Å |
| 104 | N | 82.9 | Confident | 79.6 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -84.6 | 3.2 | 178.3 | -65.6 | -58.9 | 0 | 0 | 0 | 113 | R93 K99 E101 L102 Q106 T144 | R93-N104 WeakPolarHBondContact CD-O 3.48Å; R93-N104 VanDerWaalsContact CZ-CB 3.45Å; K99-N104 PolarHBondContact O-ND2 3.06Å; E101-N104 PolarHBondContact O-N 3.11Å; E101-N104 VanDerWaalsContact O-N 3.1Å; L102-N104 PolarHBondContact O-N 2.97Å; N104-Q106 PolarHBondContact O-N 2.9Å; N104-T144 VanDerWaalsContact OD1-CB 3.28Å; N104-T144 WeakPolarHBondContact OD1-CB 3.48Å |
| 105 | C | 89.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 123.9 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | S47 K65 L102 E103 | S47-C105 WeakPolarHBondContact CB-SG 3.31Å; S47-C105 PolarHBondContact OG-SG 3.07Å; K65-C105 HydrophobicContact CB-CB 4.02Å; K65-C105 HydrophobicContact CD-CB 3.92Å; K65-C105 VanDerWaalsContact CD-O 3.32Å; K65-C105 WeakPolarHBondContact CD-O 3.32Å; K65-C105 WeakPolarHBondContact CE-O 3.43Å; K65-C105 HydrophobicContact CG-CB 4.42Å; K65-C105 PolarHBondContact NZ-O 3.3Å; L102-C105 WeakPolarHBondContact O-CB 3.39Å; L102-C105 PolarHBondContact O-N 2.74Å; L102-C105 PolarHBondContact O-SG 3.18Å; E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 3.43Å |
| 106 | Q | 92.9 | Very high | 81.5 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 2% | 0.023 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -84.6 | 164.3 | 172.3 | -59.4 | -165.9 | 51.4 | 0 | 0 | 110.7 | G49 H91 N104 F108 H121 S148 | G49-Q106 VanDerWaalsContact CA-O 3.32Å; G49-Q106 WeakPolarHBondContact CA-O 3.21Å; H91-Q106 HydrophobicContact CB-CB 3.84Å; H91-Q106 VanDerWaalsContact CG-CB 3.48Å; H91-Q106 PolarHBondContact NE2-NE2 3.3Å; N104-Q106 PolarHBondContact O-N 2.9Å; Q106-F108 HydrophobicContact CG-CD2 3.92Å; Q106-F108 HydrophobicContact CG-CE2 3.76Å; Q106-H121 PolarHBondContact NE2-O 2.85Å; Q106-H121 PolarHBondContact OE1-O 3.25Å; Q106-S148 VanDerWaalsContact CD-CB 3.44Å; Q106-S148 PolarHBondContact NE2-OG 3.25Å; Q106-S148 PolarHBondContact OE1-OG 3.44Å |
| 107 | P | 95.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | S | Bend | cis | -71.9 | 140.4 | -3.7 | -18.7 | 31.4 | 0 | 0 | 0 | 114.2 | G49 V51 K65 I89 H91 V119 A120 | G49-P107 WeakPolarHBondContact O-CD 3.32Å; V51-P107 HydrophobicContact CB-CB 4.49Å; V51-P107 HydrophobicContact CB-CG 4.43Å; V51-P107 HydrophobicContact CG2-CB 3.79Å; V51-P107 HydrophobicContact CG2-CG 3.89Å; K65-P107 WeakPolarHBondContact CE-O 3.35Å; K65-P107 PolarHBondContact NZ-O 3.38Å; I89-P107 HydrophobicContact CD1-CB 3.82Å; I89-P107 HydrophobicContact CD1-CG 4.17Å; I89-P107 HydrophobicContact CG1-CB 4.08Å; I89-P107 HydrophobicContact CG1-CG 3.94Å; H91-P107 HydrophobicContact CB-CG 4.38Å; P107-V119 CarbonylContact C-O 3.47Å; P107-V119 WeakPolarHBondContact CA-O 3.33Å; P107-V119 WeakPolarHBondContact CB-O 3.49Å; P107-A120 HydrophobicContact CB-CB 4.16Å; P107-A120 HydrophobicContact CG-CB 4.12Å |
| 108 | F | 94.4 | Very high | 85.2 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 139.3 | 175 | -78.3 | -87.5 | 0 | 0 | 0 | 110.9 | Q106 A118 V119 T144 E149 T152 | Q106-F108 HydrophobicContact CG-CD2 3.92Å; Q106-F108 HydrophobicContact CG-CE2 3.76Å; F108-A118 CarbonylContact O-C 3.58Å; F108-A118 WeakPolarHBondContact O-CA 3.35Å; F108-V119 PolarHBondContact N-O 2.92Å; F108-V119 PolarHBondContact O-N 2.78Å; F108-T144 HydrophobicContact CE1-CG2 4.09Å; F108-T144 HydrophobicContact CZ-CG2 4.26Å; F108-E149 HydrophobicContact CD1-CB 4.11Å; F108-E149 HydrophobicContact CD1-CG 4.37Å; F108-E149 HydrophobicContact CE1-CB 3.89Å; F108-E149 HydrophobicContact CE1-CG 4.34Å; F108-E149 HydrophobicContact CE2-CB 4.47Å; F108-E149 HydrophobicContact CG-CB 4.5Å; F108-E149 HydrophobicContact CZ-CB 4.08Å; F108-T152 HydrophobicContact CB-CG2 4.38Å; F108-T152 WeakPolarHBondContact CB-OG1 3.29Å |
| 109 | V | 94 | Very high | 87 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.1 | 178 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | V51 Y61 V63 I117 A118 | V51-V109 HydrophobicContact CB-CG2 4.46Å; V51-V109 HydrophobicContact CG1-CG2 3.88Å; V51-V109 HydrophobicContact CG2-CG2 3.78Å; Y61-V109 HydrophobicContact CD1-CG1 4.03Å; Y61-V109 HydrophobicContact CG-CG1 4.49Å; V63-V109 HydrophobicContact CG2-CG2 3.75Å; V109-I117 VanDerWaalsContact CA-O 3.28Å; V109-I117 WeakPolarHBondContact CA-O 3.48Å; V109-A118 HydrophobicContact CG2-CB 3.91Å |
| 110 | V | 91.7 | Very high | 88.7 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.6 | -178.6 | 173 | 0 | 0 | 0 | 0 | 109.4 | T112 K116 I117 T152 A156 | V110-T112 HydrophobicContact CG1-CG2 4.44Å; V110-K116 WeakPolarHBondContact O-CA 3.46Å; V110-I117 HydrophobicContact CB-CG1 4.49Å; V110-I117 PolarHBondContact N-O 3.28Å; V110-I117 PolarHBondContact O-N 3.49Å; V110-T152 HydrophobicContact CB-CG2 3.8Å; V110-T152 HydrophobicContact CG2-CG2 3.48Å; V110-T152 VanDerWaalsContact CG2-CG2 3.48Å; V110-A156 HydrophobicContact CG1-CB 4.46Å |
| 111 | E | 89.6 | Confident | 89.9 | Confident | 122 Ų | 122 | 38.2 Ų | 38.2 | 57% | 0.57 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.8 | 169 | -168.4 | 70.3 | -127 | 0 | 0 | 109 | K116 | E111-K116 WeakPolarHBondContact OE2-CE 3.25Å; E111-K116 WeakPolarHBondContact OE2-CG 3.47Å |
| 112 | T | 87.8 | Confident | 90.5 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 171.8 | 178.3 | 79.6 | 0 | 0 | 0 | 0 | 110.2 | V110 H114 G115 I117 A156 W169 | V110-T112 HydrophobicContact CG1-CG2 4.44Å; T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.48Å; T112-H114 VanDerWaalsContact OG1-N 3.1Å; T112-G115 WeakPolarHBondContact CB-O 3.33Å; T112-G115 PolarHBondContact N-O 2.7Å; T112-G115 VanDerWaalsContact N-O 3.1Å; T112-G115 PolarHBondContact O-N 3.07Å; T112-G115 VanDerWaalsContact O-N 3.11Å; T112-G115 PolarHBondContact OG1-O 3.05Å; T112-I117 HydrophobicContact CG2-CD1 4Å; T112-I117 HydrophobicContact CG2-CG1 3.92Å; T112-I117 HydrophobicContact CG2-CG2 4.48Å; T112-A156 HydrophobicContact CG2-CB 3.62Å; T112-W169 HydrophobicContact CG2-CH2 4.31Å |
| 113 | L | 83.3 | Confident | 91 | Very high | 134 Ų | 134 | 29.9 Ų | 29.9 | 70% | 0.702 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -25 | 171.5 | -176.3 | 63.9 | 0 | 0 | 0 | 112.6 | ||
| 114 | H | 83.9 | Confident | 91.4 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 20.6 | -175 | -49.3 | -65.8 | 0 | 0 | 0 | 113.2 | T112 E162 D165 P167 W169 R172 H190 | T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.48Å; T112-H114 VanDerWaalsContact OG1-N 3.1Å; H114-E162 IonicContact CE1-OE1 2.84Å; H114-E162 IonicContact NE2-OE1 3.58Å; H114-E162 PolarHBondContact NE2-OE1 2.86Å; H114-D165 PolarHBondContact CE1-O 3.3Å; H114-P167 HydrophobicContact CB-CB 3.65Å; H114-P167 HydrophobicContact CB-CG 3.92Å; H114-P167 VanDerWaalsContact CG-CB 3.48Å; H114-W169 HydrophobicContact CB-CZ2 4.22Å; H114-R172 PolarHBondContact NE2-NH2 3.35Å; H114-H190 PolarHBondContact O-NE2 3.39Å |
| 115 | G | 87.3 | Confident | 91.8 | Very high | 25 Ų | 25 | 25.3 Ų | 25.3 | 26% | 0.258 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | -176.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T112 | T112-G115 WeakPolarHBondContact CB-O 3.33Å; T112-G115 PolarHBondContact N-O 2.7Å; T112-G115 VanDerWaalsContact N-O 3.1Å; T112-G115 PolarHBondContact O-N 3.07Å; T112-G115 VanDerWaalsContact O-N 3.11Å; T112-G115 PolarHBondContact OG1-O 3.05Å |
| 116 | K | 91.1 | Very high | 91.8 | Very high | 79 Ų | 79 | 26.1 Ų | 26.1 | 34% | 0.343 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 141.1 | -178.2 | -66.7 | 179.4 | -177 | 172.9 | 0 | 112.3 | Y61 V110 E111 H190 | Y61-K116 HydrophobicContact CD1-CB 4.49Å; Y61-K116 HydrophobicContact CD2-CB 3.86Å; Y61-K116 HydrophobicContact CD2-CD 4.15Å; Y61-K116 HydrophobicContact CE1-CB 4.45Å; Y61-K116 HydrophobicContact CE2-CB 3.82Å; Y61-K116 HydrophobicContact CG-CB 4.24Å; Y61-K116 HydrophobicContact CG-CD 4.31Å; Y61-K116 PolarHBondContact OH-O 3.05Å; V110-K116 WeakPolarHBondContact O-CA 3.46Å; E111-K116 WeakPolarHBondContact OE2-CE 3.25Å; E111-K116 WeakPolarHBondContact OE2-CG 3.47Å; K116-H190 PolarHBondContact O-CD2 3.43Å |
| 117 | I | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149 | 164.7 | 58.8 | 174.6 | 0 | 0 | 0 | 110.1 | V109 V110 T112 V119 T152 L155 W169 M189 H190 | V109-I117 VanDerWaalsContact CA-O 3.28Å; V109-I117 WeakPolarHBondContact CA-O 3.48Å; V110-I117 HydrophobicContact CB-CG1 4.49Å; V110-I117 PolarHBondContact N-O 3.28Å; V110-I117 PolarHBondContact O-N 3.49Å; T112-I117 HydrophobicContact CG2-CD1 4Å; T112-I117 HydrophobicContact CG2-CG1 3.92Å; T112-I117 HydrophobicContact CG2-CG2 4.48Å; I117-V119 HydrophobicContact CD1-CG2 4.36Å; I117-T152 HydrophobicContact CD1-CG2 3.94Å; I117-T152 HydrophobicContact CG1-CG2 4.2Å; I117-L155 HydrophobicContact CD1-CB 4.16Å; I117-W169 HydrophobicContact CB-CH2 4.46Å; I117-W169 HydrophobicContact CD1-CH2 4.16Å; I117-W169 HydrophobicContact CD1-CZ3 4.27Å; I117-W169 HydrophobicContact CG2-CH2 3.2Å; I117-W169 HydrophobicContact CG2-CZ2 3.42Å; I117-W169 VanDerWaalsContact CG2-CZ2 3.42Å; I117-W169 HydrophobicContact CG2-CZ3 3.87Å; I117-M189 WeakPolarHBondContact CA-O 3.26Å; I117-H190 HydrophobicContact CG2-CB 4.27Å |
| 118 | A | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V51 Y61 I89 F108 V109 I188 M189 | V51-A118 HydrophobicContact CB-CB 4.24Å; V51-A118 HydrophobicContact CG1-CB 3.87Å; Y61-A118 HydrophobicContact CD1-CB 3.98Å; Y61-A118 HydrophobicContact CE1-CB 3.63Å; I89-A118 HydrophobicContact CD1-CB 3.76Å; I89-A118 WeakPolarHBondContact CD1-O 3.22Å; I89-A118 HydrophobicContact CG1-CB 4.29Å; F108-A118 CarbonylContact O-C 3.58Å; F108-A118 WeakPolarHBondContact O-CA 3.35Å; V109-A118 HydrophobicContact CG2-CB 3.91Å; A118-I188 CarbonylContact O-C 3.42Å; A118-I188 WeakPolarHBondContact O-CA 3.34Å; A118-M189 HydrophobicContact CB-CB 4.32Å; A118-M189 HydrophobicContact CB-CE 4.18Å; A118-M189 PolarHBondContact N-O 3.39Å; A118-M189 PolarHBondContact O-N 3.27Å |
| 119 | V | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.3 | -176.9 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | P107 F108 I117 I151 T152 L155 L187 I188 | P107-V119 CarbonylContact C-O 3.47Å; P107-V119 WeakPolarHBondContact CA-O 3.33Å; P107-V119 WeakPolarHBondContact CB-O 3.49Å; F108-V119 PolarHBondContact N-O 2.92Å; F108-V119 PolarHBondContact O-N 2.78Å; I117-V119 HydrophobicContact CD1-CG2 4.36Å; V119-I151 HydrophobicContact CG1-CG2 4.18Å; V119-T152 HydrophobicContact CB-CG2 4.5Å; V119-T152 WeakPolarHBondContact CB-OG1 2.81Å; V119-T152 HydrophobicContact CG2-CG2 3.98Å; V119-L155 HydrophobicContact CG2-CD1 4Å; V119-L187 WeakPolarHBondContact CA-O 3.11Å; V119-I188 HydrophobicContact CG1-CG1 4.44Å; V119-I188 HydrophobicContact CG2-CG1 4.33Å; V119-I188 HydrophobicContact CG2-CG2 4.32Å |
| 120 | A | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V14 I89 H91 P107 L186 L187 | V14-A120 HydrophobicContact CB-CB 4.47Å; V14-A120 HydrophobicContact CG1-CB 3.9Å; I89-A120 HydrophobicContact CD1-CB 4.16Å; H91-A120 HydrophobicContact CB-CB 4.36Å; P107-A120 HydrophobicContact CB-CB 4.16Å; P107-A120 HydrophobicContact CG-CB 4.12Å; A120-L186 WeakPolarHBondContact O-CA 3.45Å; A120-L187 HydrophobicContact CB-CB 4.36Å; A120-L187 PolarHBondContact N-O 3.05Å; A120-L187 PolarHBondContact O-N 3.37Å |
| 121 | H | 94.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 126.9 | -168.9 | 164.6 | -125.6 | 0 | 0 | 0 | 110.7 | H91 Q106 G123 S148 I151 Y184 L186 | H91-H121 PolarHBondContact NE2-O 2.85Å; Q106-H121 PolarHBondContact NE2-O 2.85Å; Q106-H121 PolarHBondContact OE1-O 3.25Å; H121-G123 PolarHBondContact CE1-O 3.22Å; H121-G123 VanDerWaalsContact NE2-C 3.32Å; H121-G123 WeakPolarHBondContact NE2-CA 3.34Å; H121-G123 PolarHBondContact NE2-N 3.27Å; H121-S148 WeakPolarHBondContact CB-OG 3.34Å; H121-S148 PolarHBondContact ND1-OG 2.64Å; H121-I151 HydrophobicContact CB-CD1 4.39Å; H121-Y184 WeakPolarHBondContact NE2-CB 3.44Å; H121-L186 HydrophobicContact CB-CD2 3.53Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.49Å |
| 122 | N | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 116.1 | 164.1 | 172.8 | 16.1 | 0 | 0 | 0 | 108.7 | E11 C12 V14 Y184 S185 | E11-N122 PolarHBondContact O-OD1 2.82Å; C12-N122 HydrophobicContact CB-CB 4.4Å; C12-N122 WeakPolarHBondContact O-CB 3.26Å; C12-N122 PolarHBondContact O-ND2 3.31Å; C12-N122 PolarHBondContact O-OD1 2.95Å; V14-N122 HydrophobicContact CG1-CB 4.1Å; N122-Y184 CarbonylContact O-C 3.58Å; N122-Y184 VanDerWaalsContact O-CA 3.3Å; N122-Y184 WeakPolarHBondContact O-CA 3.32Å; N122-S185 PolarHBondContact N-O 3.39Å; N122-S185 PolarHBondContact O-N 3.46Å |
| 123 | G | 91.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | -169.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H121 A183 | H121-G123 PolarHBondContact CE1-O 3.22Å; H121-G123 VanDerWaalsContact NE2-C 3.32Å; H121-G123 WeakPolarHBondContact NE2-CA 3.34Å; H121-G123 PolarHBondContact NE2-N 3.27Å; G123-A183 CarbonylContact C-O 3.46Å; G123-A183 WeakPolarHBondContact CA-O 3.16Å |
| 124 | E | 90.8 | Very high | 91.8 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | trans | -149.4 | 135.9 | 176 | -170.6 | 176.6 | -172.8 | 0 | 0 | 108.7 | T97 V126 A183 G429 | T97-E124 VanDerWaalsContact CG2-OE1 3.24Å; T97-E124 WeakPolarHBondContact CG2-OE1 3.41Å; E124-V126 PolarHBondContact O-N 2.96Å; E124-A183 PolarHBondContact N-O 2.99Å; E124-A183 PolarHBondContact O-N 3.07Å; E124-G429 VanDerWaalsContact CB-N 3.26Å; E124-G429 PolarHBondContact OE2-N 3.37Å | ||
| 125 | L | 90.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | trans | -86.8 | 112.8 | -178.4 | -61.1 | -171.5 | 0 | 0 | 0 | 110.2 | N127 A128 L131 D147 M150 I151 A180 Y184 | L125-N127 PolarHBondContact O-N 2.97Å; L125-A128 HydrophobicContact CB-CB 4.13Å; L125-A128 WeakPolarHBondContact O-CB 3.33Å; L125-A128 PolarHBondContact O-N 2.91Å; L125-L131 HydrophobicContact CD1-CD1 3.79Å; L125-D147 HydrophobicContact CD1-CB 4.49Å; L125-D147 HydrophobicContact CG-CB 4.19Å; L125-D147 PolarHBondContact N-OD2 2.97Å; L125-M150 HydrophobicContact CD1-CE 4.47Å; L125-I151 HydrophobicContact CD1-CD1 4.08Å; L125-I151 HydrophobicContact CD1-CG1 3.72Å; L125-I151 HydrophobicContact CD2-CD1 4.09Å; L125-I151 HydrophobicContact CD2-CG1 4.48Å; L125-I151 HydrophobicContact CG-CD1 4.17Å; L125-I151 HydrophobicContact CG-CG1 4.36Å; L125-A180 HydrophobicContact CD2-CB 4.03Å; L125-Y184 HydrophobicContact CD2-CD1 3.66Å; L125-Y184 HydrophobicContact CD2-CE1 4.25Å | ||
| 126 | V | 90 | Very high | 92.3 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.3 | 179.3 | -62 | 0 | 0 | 0 | 0 | 113.9 | E124 P181 T182 F427 M428 V513 L515 | E124-V126 PolarHBondContact O-N 2.96Å; V126-P181 HydrophobicContact CG2-CG 4Å; V126-T182 HydrophobicContact CG1-CG2 4.16Å; V126-T182 PolarHBondContact N-O 3.15Å; V126-F427 WeakPolarHBondContact CG1-O 3.38Å; V126-M428 HydrophobicContact CG1-CG 3.91Å; V126-V513 HydrophobicContact CB-CG2 4.38Å; V126-V513 HydrophobicContact CG1-CG2 4.03Å; V126-V513 HydrophobicContact CG2-CG2 3.93Å; V126-L515 HydrophobicContact CB-CD2 4.15Å; V126-L515 HydrophobicContact CG1-CD2 4.09Å |
| 127 | N | 90.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 27.1 | -177.9 | 64.1 | -9.7 | 0 | 0 | 0 | 112.6 | L125 A129 R130 L131 E179 D516 | L125-N127 PolarHBondContact O-N 2.97Å; N127-A129 VanDerWaalsContact C-N 3.28Å; N127-A129 PolarHBondContact O-N 3.32Å; N127-R130 PolarHBondContact ND2-NH2 3.31Å; N127-R130 WeakPolarHBondContact O-CB 3.39Å; N127-R130 PolarHBondContact O-N 3.46Å; N127-R130 VanDerWaalsContact O-N 3.11Å; N127-L131 PolarHBondContact O-N 3.11Å; N127-L131 VanDerWaalsContact O-N 3.14Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.31Å; N127-E179 PolarHBondContact ND2-O 2.56Å; N127-D516 HydrophobicContact CB-CB 4.27Å; N127-D516 WeakPolarHBondContact CB-OD2 3.26Å |
| 128 | A | 89.9 | Confident | 92.1 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -51.6 | -44.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L125 R130 L131 R132 D147 M150 | L125-A128 HydrophobicContact CB-CB 4.13Å; L125-A128 WeakPolarHBondContact O-CB 3.33Å; L125-A128 PolarHBondContact O-N 2.91Å; A128-R130 VanDerWaalsContact C-N 3.31Å; A128-R130 PolarHBondContact O-N 3.37Å; A128-L131 PolarHBondContact O-N 3.49Å; A128-R132 VanDerWaalsContact O-CB 3.28Å; A128-R132 WeakPolarHBondContact O-CB 3.5Å; A128-R132 PolarHBondContact O-N 2.87Å; A128-D147 WeakPolarHBondContact CB-OD1 3.29Å; A128-M150 HydrophobicContact CB-CE 4Å; A128-M150 VanDerWaalsContact O-CE 3.28Å; A128-M150 WeakPolarHBondContact O-CE 3.47Å |
| 129 | A | 90.1 | Very high | 91.7 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 63% | 0.628 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.4 | -41.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N127 K133 | N127-A129 VanDerWaalsContact C-N 3.28Å; N127-A129 PolarHBondContact O-N 3.32Å; A129-K133 PolarHBondContact O-N 3.26Å; A129-K133 VanDerWaalsContact O-N 3.11Å |
| 130 | R | 92.1 | Very high | 91.4 | Very high | 127 Ų | 127 | 50.6 Ų | 50.6 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66 | -48.3 | 177.5 | -175.4 | -178.8 | 76.5 | -175 | 12.5 | 111.3 | N127 A128 K133 K134 E179 D516 | N127-R130 PolarHBondContact ND2-NH2 3.31Å; N127-R130 WeakPolarHBondContact O-CB 3.39Å; N127-R130 PolarHBondContact O-N 3.46Å; N127-R130 VanDerWaalsContact O-N 3.11Å; A128-R130 VanDerWaalsContact C-N 3.31Å; A128-R130 PolarHBondContact O-N 3.37Å; R130-K133 PolarHBondContact O-N 2.95Å; R130-K134 PolarHBondContact O-N 2.96Å; R130-E179 PolarHBondContact NH2-O 2.91Å; R130-D516 WeakPolarHBondContact CD-OD2 3.38Å; R130-D516 IonicContact CZ-OD2 2.85Å; R130-D516 IonicContact NE-OD2 3.94Å; R130-D516 PolarHBondContact NE-OD2 3.08Å; R130-D516 IonicContact NH1-OD1 3.89Å; R130-D516 IonicContact NH1-OD2 3.45Å; R130-D516 PolarHBondContact NH1-OD2 3.36Å |
| 131 | L | 91.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 180 | -65.9 | 176.6 | 0 | 0 | 0 | 111.6 | L125 N127 A128 K133 K134 L135 M150 L154 E179 A180 | L125-L131 HydrophobicContact CD1-CD1 3.79Å; N127-L131 PolarHBondContact O-N 3.11Å; N127-L131 VanDerWaalsContact O-N 3.14Å; N127-L131 WeakPolarHBondContact OD1-CD1 3.31Å; A128-L131 PolarHBondContact O-N 3.49Å; L131-K133 PolarHBondContact O-N 2.97Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 2.8Å; L131-K134 VanDerWaalsContact O-N 3.16Å; L131-L135 PolarHBondContact O-N 3.07Å; L131-M150 HydrophobicContact CB-CE 3.82Å; L131-L154 HydrophobicContact CB-CD1 4.29Å; L131-L154 HydrophobicContact CD1-CD1 3.99Å; L131-L154 HydrophobicContact CD2-CD1 4.33Å; L131-L154 HydrophobicContact CG-CD1 4.44Å; L131-E179 HydrophobicContact CD2-CB 4.16Å; L131-A180 HydrophobicContact CD1-CB 4.26Å |
| 132 | R | 91.7 | Very high | 90.7 | Very high | 119 Ų | 119 | 54.7 Ų | 54.7 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 173.7 | -171.7 | 171 | -176.9 | -92.8 | -2.6 | 111.8 | A128 K134 L135 L136 L142 M150 | A128-R132 VanDerWaalsContact O-CB 3.28Å; A128-R132 WeakPolarHBondContact O-CB 3.5Å; A128-R132 PolarHBondContact O-N 2.87Å; R132-K134 VanDerWaalsContact C-N 3.28Å; R132-K134 PolarHBondContact O-N 3.12Å; R132-L135 PolarHBondContact O-N 3.2Å; R132-L136 HydrophobicContact CG-CD1 4.09Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 3.44Å; R132-L142 HydrophobicContact CG-CD1 3.78Å; R132-M150 HydrophobicContact CB-CE 4.26Å; R132-M150 HydrophobicContact CB-SD 3.69Å; R132-M150 HydrophobicContact CG-SD 4.12Å |
| 133 | K | 91.8 | Very high | 90.4 | Very high | 120 Ų | 120 | 59.3 Ų | 59.3 | 52% | 0.522 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.9 | -169.8 | 176.1 | -173.8 | 176.9 | 0 | 111.9 | A129 R130 L131 R137 | A129-K133 PolarHBondContact O-N 3.26Å; A129-K133 VanDerWaalsContact O-N 3.11Å; R130-K133 PolarHBondContact O-N 2.95Å; L131-K133 PolarHBondContact O-N 2.97Å; K133-R137 WeakPolarHBondContact O-CB 3.31Å; K133-R137 VanDerWaalsContact O-CG 3.26Å; K133-R137 WeakPolarHBondContact O-CG 3.24Å; K133-R137 PolarHBondContact O-N 3.06Å; K133-R137 VanDerWaalsContact O-N 3.09Å |
| 134 | K | 90.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 174.5 | 179.6 | -179.1 | 171.7 | -179.9 | 0 | 111.3 | R130 L131 R132 R137 H138 E179 | R130-K134 PolarHBondContact O-N 2.96Å; L131-K134 WeakPolarHBondContact O-CB 3.49Å; L131-K134 PolarHBondContact O-N 2.8Å; L131-K134 VanDerWaalsContact O-N 3.16Å; R132-K134 VanDerWaalsContact C-N 3.28Å; R132-K134 PolarHBondContact O-N 3.12Å; K134-R137 PolarHBondContact O-N 3.33Å; K134-H138 PolarHBondContact O-N 3.21Å; K134-H138 PolarHBondContact O-ND1 3.37Å; K134-E179 IonicContact NZ-OE1 3.32Å; K134-E179 PolarHBondContact NZ-OE1 3.38Å; K134-E179 IonicContact NZ-OE2 2.65Å; K134-E179 PolarHBondContact NZ-OE2 3.04Å |
| 135 | L | 91.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 179.2 | -70.9 | 174 | 0 | 0 | 0 | 111.9 | L131 R132 R137 H138 G139 I140 L142 M150 Q153 L154 | L131-L135 PolarHBondContact O-N 3.07Å; R132-L135 PolarHBondContact O-N 3.2Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 2.7Å; L135-H138 CarbonylContact O-C 3.48Å; L135-H138 PolarHBondContact O-N 3.31Å; L135-G139 PolarHBondContact O-N 2.73Å; L135-I140 HydrophobicContact CB-CB 4.33Å; L135-I140 HydrophobicContact CD2-CD1 3.67Å; L135-I140 PolarHBondContact O-N 2.79Å; L135-L142 HydrophobicContact CD1-CD2 4.26Å; L135-M150 HydrophobicContact CD1-CB 4.11Å; L135-M150 HydrophobicContact CD1-CG 4.21Å; L135-Q153 HydrophobicContact CD1-CB 4.03Å; L135-Q153 HydrophobicContact CD2-CB 4.24Å; L135-L154 HydrophobicContact CD1-CG 4.23Å; L135-L154 HydrophobicContact CD2-CD2 3.81Å; L135-L154 HydrophobicContact CD2-CG 4.13Å; L135-L154 HydrophobicContact CG-CD2 4.15Å; L135-L154 HydrophobicContact CG-CG 4.39Å |
| 136 | L | 91.8 | Very high | 89.3 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | -179.5 | -66.9 | 173.4 | 0 | 0 | 0 | 112.5 | R132 H138 G139 | R132-L136 HydrophobicContact CG-CD1 4.09Å; R132-L136 WeakPolarHBondContact O-CG 3.37Å; R132-L136 PolarHBondContact O-N 3.44Å; L136-H138 PolarHBondContact O-N 3.36Å; L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.08Å |
| 137 | R | 91.2 | Very high | 89.1 | Confident | 188 Ų | 188 | 61.6 Ų | 61.6 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.4 | -25.7 | 174.8 | -81.3 | 175.3 | 171.1 | 179.5 | -6.6 | 113.4 | K133 K134 L135 G139 | K133-R137 WeakPolarHBondContact O-CB 3.31Å; K133-R137 VanDerWaalsContact O-CG 3.26Å; K133-R137 WeakPolarHBondContact O-CG 3.24Å; K133-R137 PolarHBondContact O-N 3.06Å; K133-R137 VanDerWaalsContact O-N 3.09Å; K134-R137 PolarHBondContact O-N 3.33Å; L135-R137 VanDerWaalsContact C-N 3.31Å; L135-R137 PolarHBondContact O-N 2.7Å; R137-G139 VanDerWaalsContact C-N 3.27Å |
| 138 | H | 88.4 | Confident | 89 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.4 | 174.7 | -69.1 | 83.5 | 0 | 0 | 0 | 112.5 | K134 L135 L136 I140 Y157 | K134-H138 PolarHBondContact O-N 3.21Å; K134-H138 PolarHBondContact O-ND1 3.37Å; L135-H138 CarbonylContact O-C 3.48Å; L135-H138 PolarHBondContact O-N 3.31Å; L136-H138 PolarHBondContact O-N 3.36Å; H138-I140 VanDerWaalsContact C-N 3.31Å; H138-I140 PolarHBondContact O-N 2.85Å; H138-Y157 HydrophobicContact CB-CE2 4.48Å; H138-Y157 PolarHBondContact CD2-OH 2.7Å; H138-Y157 PolarHBondContact NE2-OH 3.03Å |
| 139 | G | 89.2 | Confident | 89.1 | Confident | 69 Ų | 69 | 61 Ų | 61 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L135 L136 R137 G141 | L135-G139 PolarHBondContact O-N 2.73Å; L136-G139 PolarHBondContact O-N 3.02Å; L136-G139 VanDerWaalsContact O-N 3.08Å; R137-G139 VanDerWaalsContact C-N 3.27Å; G139-G141 PolarHBondContact O-N 2.8Å |
| 140 | I | 89.8 | Confident | 89.2 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | trans | -81.7 | 112.4 | 177 | -59.2 | 169.3 | 0 | 0 | 0 | 108.5 | L135 H138 Q153 Y157 | L135-I140 HydrophobicContact CB-CB 4.33Å; L135-I140 HydrophobicContact CD2-CD1 3.67Å; L135-I140 PolarHBondContact O-N 2.79Å; H138-I140 VanDerWaalsContact C-N 3.31Å; H138-I140 PolarHBondContact O-N 2.85Å; I140-Q153 HydrophobicContact CG2-CB 4.13Å; I140-Q153 HydrophobicContact CG2-CG 4.09Å; I140-Y157 HydrophobicContact CD1-CD2 3.9Å | ||
| 141 | G | 87.9 | Confident | 89.2 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | trans | -72.7 | 146 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G139 | G139-G141 PolarHBondContact O-N 2.8Š| ||
| 142 | L | 89.4 | Confident | 89.3 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | trans | -118.3 | 131.2 | 173 | -63.6 | 170.5 | 0 | 0 | 0 | 108.3 | R132 L135 E149 M150 Q153 | R132-L142 HydrophobicContact CG-CD1 3.78Å; L135-L142 HydrophobicContact CD1-CD2 4.26Å; L142-E149 HydrophobicContact CD2-CG 4.06Å; L142-M150 HydrophobicContact CD1-CG 3.86Å; L142-M150 HydrophobicContact CD1-SD 4.45Å; L142-M150 HydrophobicContact CD2-CG 4.21Å; L142-Q153 HydrophobicContact CD2-CB 4.49Å; L142-Q153 HydrophobicContact CD2-CG 3.86Å | ||
| 143 | S | 87.4 | Confident | 89.4 | Confident | 98 Ų | 98 | 47.5 Ų | 47.5 | 69% | 0.685 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -83.6 | -24.3 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | E149 | S143-E149 PolarHBondContact N-OE1 3.5Å; S143-E149 PolarHBondContact N-OE2 3.05Å |
| 144 | T | 85.3 | Confident | 89.4 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -126.5 | 174.2 | -173.4 | 80 | 0 | 0 | 0 | 0 | 112.4 | E103 N104 F108 S146 E149 | E103-T144 HydrophobicContact CB-CG2 4.16Å; N104-T144 VanDerWaalsContact OD1-CB 3.28Å; N104-T144 WeakPolarHBondContact OD1-CB 3.48Å; F108-T144 HydrophobicContact CE1-CG2 4.09Å; F108-T144 HydrophobicContact CZ-CG2 4.26Å; T144-S146 WeakPolarHBondContact OG1-CB 3.34Å; T144-S146 PolarHBondContact OG1-N 2.93Å; T144-S146 VanDerWaalsContact OG1-N 3.12Å; T144-E149 VanDerWaalsContact CA-OE2 3.29Å; T144-E149 WeakPolarHBondContact CA-OE2 3.35Å; T144-E149 VanDerWaalsContact CB-OE2 3.22Å; T144-E149 WeakPolarHBondContact CB-OE2 3.15Å; T144-E149 PolarHBondContact N-OE2 3.29Å; T144-E149 WeakPolarHBondContact OG1-CB 3.25Å; T144-E149 PolarHBondContact OG1-OE2 3.15Å |
| 145 | S | 79.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -100.9 | 13.7 | 170 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | G98 | G98-S145 WeakPolarHBondContact CA-OG 3.3Š|
| 146 | S | 84.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | trans | -85.6 | 132.4 | -174.3 | -179.4 | 0 | 0 | 0 | 0 | 111 | T144 S148 E149 M150 | T144-S146 WeakPolarHBondContact OG1-CB 3.34Å; T144-S146 PolarHBondContact OG1-N 2.93Å; T144-S146 VanDerWaalsContact OG1-N 3.12Å; S146-S148 PolarHBondContact O-N 3.29Å; S146-S148 VanDerWaalsContact O-N 3.15Å; S146-S148 PolarHBondContact OG-N 3.15Å; S146-E149 PolarHBondContact O-N 3.35Å; S146-E149 VanDerWaalsContact O-N 3.13Å; S146-M150 PolarHBondContact O-N 3.17Å | ||
| 147 | D | 86.9 | Confident | 88.8 | Confident | 14 Ų | 14 | 40 Ų | 40 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.2 | -32.9 | 171.4 | -72 | -7.2 | 0 | 0 | 0 | 111.9 | L125 A128 E149 M150 I151 | L125-D147 HydrophobicContact CD1-CB 4.49Å; L125-D147 HydrophobicContact CG-CB 4.19Å; L125-D147 PolarHBondContact N-OD2 2.97Å; A128-D147 WeakPolarHBondContact CB-OD1 3.29Å; D147-E149 PolarHBondContact O-N 2.83Å; D147-M150 CarbonylContact O-C 3.58Å; D147-M150 WeakPolarHBondContact O-CB 3.44Å; D147-M150 PolarHBondContact O-N 3.45Å; D147-M150 VanDerWaalsContact O-N 3.13Å; D147-I151 VanDerWaalsContact O-CG1 3.26Å; D147-I151 WeakPolarHBondContact O-CG1 3.3Å; D147-I151 PolarHBondContact O-N 2.82Å |
| 148 | S | 89.1 | Confident | 88 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -35 | -178.3 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | Q106 H121 S146 T152 | Q106-S148 VanDerWaalsContact CD-CB 3.44Å; Q106-S148 PolarHBondContact NE2-OG 3.25Å; Q106-S148 PolarHBondContact OE1-OG 3.44Å; H121-S148 WeakPolarHBondContact CB-OG 3.34Å; H121-S148 PolarHBondContact ND1-OG 2.64Å; S146-S148 PolarHBondContact O-N 3.29Å; S146-S148 VanDerWaalsContact O-N 3.15Å; S146-S148 PolarHBondContact OG-N 3.15Å; S148-T152 PolarHBondContact O-N 3.19Å; S148-T152 VanDerWaalsContact O-N 3.07Å; S148-T152 PolarHBondContact O-OG1 3.3Å |
| 149 | E | 91.3 | Very high | 87.2 | Confident | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.3 | -44.9 | 170.3 | -174.9 | -174.2 | -167.4 | 0 | 0 | 110.1 | F108 L142 S143 T144 S146 D147 I151 T152 Q153 | F108-E149 HydrophobicContact CD1-CB 4.11Å; F108-E149 HydrophobicContact CD1-CG 4.37Å; F108-E149 HydrophobicContact CE1-CB 3.89Å; F108-E149 HydrophobicContact CE1-CG 4.34Å; F108-E149 HydrophobicContact CE2-CB 4.47Å; F108-E149 HydrophobicContact CG-CB 4.5Å; F108-E149 HydrophobicContact CZ-CB 4.08Å; L142-E149 HydrophobicContact CD2-CG 4.06Å; S143-E149 PolarHBondContact N-OE1 3.5Å; S143-E149 PolarHBondContact N-OE2 3.05Å; T144-E149 VanDerWaalsContact CA-OE2 3.29Å; T144-E149 WeakPolarHBondContact CA-OE2 3.35Å; T144-E149 VanDerWaalsContact CB-OE2 3.22Å; T144-E149 WeakPolarHBondContact CB-OE2 3.15Å; T144-E149 PolarHBondContact N-OE2 3.29Å; T144-E149 WeakPolarHBondContact OG1-CB 3.25Å; T144-E149 PolarHBondContact OG1-OE2 3.15Å; S146-E149 PolarHBondContact O-N 3.35Å; S146-E149 VanDerWaalsContact O-N 3.13Å; D147-E149 PolarHBondContact O-N 2.83Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.25Å; E149-T152 WeakPolarHBondContact O-CB 3.46Å; E149-T152 PolarHBondContact O-N 3.36Å; E149-T152 VanDerWaalsContact O-N 3.12Å; E149-Q153 HydrophobicContact CG-CG 4.36Å; E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.95Å |
| 150 | M | 91.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 178.3 | -69 | 179.6 | 16.5 | 0 | 0 | 112.4 | L125 A128 L131 R132 L135 L142 S146 D147 T152 Q153 L154 | L125-M150 HydrophobicContact CD1-CE 4.47Å; A128-M150 HydrophobicContact CB-CE 4Å; A128-M150 VanDerWaalsContact O-CE 3.28Å; A128-M150 WeakPolarHBondContact O-CE 3.47Å; L131-M150 HydrophobicContact CB-CE 3.82Å; R132-M150 HydrophobicContact CB-CE 4.26Å; R132-M150 HydrophobicContact CB-SD 3.69Å; R132-M150 HydrophobicContact CG-SD 4.12Å; L135-M150 HydrophobicContact CD1-CB 4.11Å; L135-M150 HydrophobicContact CD1-CG 4.21Å; L142-M150 HydrophobicContact CD1-CG 3.86Å; L142-M150 HydrophobicContact CD1-SD 4.45Å; L142-M150 HydrophobicContact CD2-CG 4.21Å; S146-M150 PolarHBondContact O-N 3.17Å; D147-M150 CarbonylContact O-C 3.58Å; D147-M150 WeakPolarHBondContact O-CB 3.44Å; D147-M150 PolarHBondContact O-N 3.45Å; D147-M150 VanDerWaalsContact O-N 3.13Å; M150-T152 VanDerWaalsContact C-N 3.3Å; M150-T152 PolarHBondContact O-N 2.98Å; M150-Q153 PolarHBondContact O-N 2.74Å; M150-L154 WeakPolarHBondContact O-CB 3.46Å; M150-L154 VanDerWaalsContact O-CG 3.27Å; M150-L154 WeakPolarHBondContact O-CG 3.42Å; M150-L154 PolarHBondContact O-N 3.08Å |
| 151 | I | 93.9 | Very high | 84.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.4 | -69.7 | 168.4 | 0 | 0 | 0 | 110 | V119 H121 L125 D147 E149 Q153 L154 L155 L176 L186 | V119-I151 HydrophobicContact CG1-CG2 4.18Å; H121-I151 HydrophobicContact CB-CD1 4.39Å; L125-I151 HydrophobicContact CD1-CD1 4.08Å; L125-I151 HydrophobicContact CD1-CG1 3.72Å; L125-I151 HydrophobicContact CD2-CD1 4.09Å; L125-I151 HydrophobicContact CD2-CG1 4.48Å; L125-I151 HydrophobicContact CG-CD1 4.17Å; L125-I151 HydrophobicContact CG-CG1 4.36Å; D147-I151 VanDerWaalsContact O-CG1 3.26Å; D147-I151 WeakPolarHBondContact O-CG1 3.3Å; D147-I151 PolarHBondContact O-N 2.82Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.25Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 3.4Å; I151-L154 PolarHBondContact O-N 2.8Å; I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 WeakPolarHBondContact O-CG 3.2Å; I151-L155 PolarHBondContact O-N 3.49Å; I151-L176 HydrophobicContact CG2-CD2 3.8Å; I151-L186 HydrophobicContact CD1-CD2 4.01Å; I151-L186 HydrophobicContact CG2-CD1 4Å; I151-L186 HydrophobicContact CG2-CD2 4.15Å |
| 152 | T | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | F108 V110 I117 V119 S148 E149 M150 L155 A156 | F108-T152 HydrophobicContact CB-CG2 4.38Å; F108-T152 WeakPolarHBondContact CB-OG1 3.29Å; V110-T152 HydrophobicContact CB-CG2 3.8Å; V110-T152 HydrophobicContact CG2-CG2 3.48Å; V110-T152 VanDerWaalsContact CG2-CG2 3.48Å; I117-T152 HydrophobicContact CD1-CG2 3.94Å; I117-T152 HydrophobicContact CG1-CG2 4.2Å; V119-T152 HydrophobicContact CB-CG2 4.5Å; V119-T152 WeakPolarHBondContact CB-OG1 2.81Å; V119-T152 HydrophobicContact CG2-CG2 3.98Å; S148-T152 PolarHBondContact O-N 3.19Å; S148-T152 VanDerWaalsContact O-N 3.07Å; S148-T152 PolarHBondContact O-OG1 3.3Å; E149-T152 WeakPolarHBondContact O-CB 3.46Å; E149-T152 PolarHBondContact O-N 3.36Å; E149-T152 VanDerWaalsContact O-N 3.12Å; M150-T152 VanDerWaalsContact C-N 3.3Å; M150-T152 PolarHBondContact O-N 2.98Å; T152-L155 PolarHBondContact O-N 3.44Å; T152-A156 PolarHBondContact O-N 3.5Å |
| 153 | Q | 92.8 | Very high | 82.4 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | 177.6 | -65.7 | -61.7 | -13.8 | 0 | 0 | 112.9 | L135 I140 L142 E149 M150 I151 L155 A156 Y157 | L135-Q153 HydrophobicContact CD1-CB 4.03Å; L135-Q153 HydrophobicContact CD2-CB 4.24Å; I140-Q153 HydrophobicContact CG2-CB 4.13Å; I140-Q153 HydrophobicContact CG2-CG 4.09Å; L142-Q153 HydrophobicContact CD2-CB 4.49Å; L142-Q153 HydrophobicContact CD2-CG 3.86Å; E149-Q153 HydrophobicContact CG-CG 4.36Å; E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.95Å; M150-Q153 PolarHBondContact O-N 2.74Å; I151-Q153 VanDerWaalsContact C-N 3.33Å; I151-Q153 PolarHBondContact O-N 3.4Å; Q153-L155 VanDerWaalsContact C-N 3.32Å; Q153-L155 PolarHBondContact O-N 2.9Å; Q153-A156 PolarHBondContact O-N 3.37Å; Q153-Y157 WeakPolarHBondContact O-CB 3.26Å; Q153-Y157 PolarHBondContact O-N 3.2Å |
| 154 | L | 91.7 | Very high | 81.1 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 174.6 | -75.1 | 166.2 | 0 | 0 | 0 | 112.1 | L131 L135 M150 I151 L176 | L131-L154 HydrophobicContact CB-CD1 4.29Å; L131-L154 HydrophobicContact CD1-CD1 3.99Å; L131-L154 HydrophobicContact CD2-CD1 4.33Å; L131-L154 HydrophobicContact CG-CD1 4.44Å; L135-L154 HydrophobicContact CD1-CG 4.23Å; L135-L154 HydrophobicContact CD2-CD2 3.81Å; L135-L154 HydrophobicContact CD2-CG 4.13Å; L135-L154 HydrophobicContact CG-CD2 4.15Å; L135-L154 HydrophobicContact CG-CG 4.39Å; M150-L154 WeakPolarHBondContact O-CB 3.46Å; M150-L154 VanDerWaalsContact O-CG 3.27Å; M150-L154 WeakPolarHBondContact O-CG 3.42Å; M150-L154 PolarHBondContact O-N 3.08Å; I151-L154 PolarHBondContact O-N 2.8Å; L154-L176 HydrophobicContact CB-CD1 4.09Å; L154-L176 HydrophobicContact CD1-CD1 3.91Å |
| 155 | L | 91.4 | Very high | 80.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 174.2 | -71.6 | 166.6 | 0 | 0 | 0 | 112 | I117 V119 I151 T152 Q153 Y157 W169 R172 I173 L176 I188 | I117-L155 HydrophobicContact CD1-CB 4.16Å; V119-L155 HydrophobicContact CG2-CD1 4Å; I151-L155 HydrophobicContact CG2-CD1 4.03Å; I151-L155 WeakPolarHBondContact O-CG 3.2Å; I151-L155 PolarHBondContact O-N 3.49Å; T152-L155 PolarHBondContact O-N 3.44Å; Q153-L155 VanDerWaalsContact C-N 3.32Å; Q153-L155 PolarHBondContact O-N 2.9Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; L155-W169 HydrophobicContact CB-CZ3 4.38Å; L155-R172 PolarHBondContact O-NH1 3.23Å; L155-I173 HydrophobicContact CD2-CG1 3.96Å; L155-L176 HydrophobicContact CD1-CD2 4.29Å; L155-L176 HydrophobicContact CD2-CB 4.25Å; L155-L176 HydrophobicContact CD2-CD2 3.89Å; L155-L176 HydrophobicContact CG-CD2 4.03Å; L155-I188 HydrophobicContact CD1-CD1 3.61Å; L155-I188 HydrophobicContact CD1-CG1 4.02Å; L155-I188 HydrophobicContact CD2-CD1 4.24Å |
| 156 | A | 88.1 | Confident | 79.5 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.2 | -30.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V110 T112 T152 Q153 T158 R172 | V110-A156 HydrophobicContact CG1-CB 4.46Å; T112-A156 HydrophobicContact CG2-CB 3.62Å; T152-A156 PolarHBondContact O-N 3.5Å; Q153-A156 PolarHBondContact O-N 3.37Å; A156-T158 PolarHBondContact O-N 3.24Å; A156-R172 PolarHBondContact O-NH1 3.02Å |
| 157 | Y | 81.3 | Confident | 78.8 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -65.9 | 127.2 | 177.5 | 179.9 | -103.4 | 0 | 0 | 0 | 112 | H138 I140 Q153 L155 P159 R172 | H138-Y157 HydrophobicContact CB-CE2 4.48Å; H138-Y157 PolarHBondContact CD2-OH 2.7Å; H138-Y157 PolarHBondContact NE2-OH 3.03Å; I140-Y157 HydrophobicContact CD1-CD2 3.9Å; Q153-Y157 WeakPolarHBondContact O-CB 3.26Å; Q153-Y157 PolarHBondContact O-N 3.2Å; L155-Y157 VanDerWaalsContact C-N 3.32Å; Y157-P159 WeakPolarHBondContact O-CD 3.31Å; Y157-R172 PolarHBondContact O-NH1 3.16Å |
| 158 | T | 74.3 | Confident | 78.7 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 119.5 | 179.3 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | A156 E162 R172 | A156-T158 PolarHBondContact O-N 3.24Å; T158-E162 HydrophobicContact CG2-CB 3.94Å; T158-E162 HydrophobicContact CG2-CG 4.31Å; T158-R172 PolarHBondContact OG1-NH2 2.5Å |
| 159 | P | 71.6 | Confident | 78.7 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.019 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 152.2 | -178.3 | 31 | -33.2 | 0 | 0 | 0 | 110.3 | Y157 Q161 E162 R172 N175 | Y157-P159 WeakPolarHBondContact O-CD 3.31Å; P159-Q161 PolarHBondContact O-N 3.19Å; P159-E162 WeakPolarHBondContact CD-OE2 3.32Å; P159-E162 HydrophobicContact CG-CB 3.97Å; P159-E162 PolarHBondContact O-N 2.97Å; P159-R172 HydrophobicContact CG-CG 3.84Å; P159-N175 HydrophobicContact CB-CB 4.02Å |
| 160 | P | 68.2 | Low | 78.6 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19.4 | -177.8 | -25.6 | 33.8 | 0 | 0 | 0 | 115.2 | ||
| 161 | Q | 62.3 | Low | 78.5 | Confident | 111 Ų | 111 | 57.9 Ų | 57.9 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.9 | -177.2 | -56.8 | 81.2 | 8.9 | 0 | 0 | 113.2 | P159 R163 | P159-Q161 PolarHBondContact O-N 3.19Å; Q161-R163 PolarHBondContact O-N 2.93Å |
| 162 | E | 65.5 | Low | 78.4 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | trans | -82.8 | 113.2 | 179.5 | -164.7 | 167.2 | 147.8 | 0 | 0 | 109.1 | H114 T158 P159 R172 | H114-E162 IonicContact CE1-OE1 2.84Å; H114-E162 IonicContact NE2-OE1 3.58Å; H114-E162 PolarHBondContact NE2-OE1 2.86Å; T158-E162 HydrophobicContact CG2-CB 3.94Å; T158-E162 HydrophobicContact CG2-CG 4.31Å; P159-E162 WeakPolarHBondContact CD-OE2 3.32Å; P159-E162 HydrophobicContact CG-CB 3.97Å; P159-E162 PolarHBondContact O-N 2.97Å; E162-R172 VanDerWaalsContact CD-NH2 3.27Å; E162-R172 IonicContact OE1-CZ 3.44Å; E162-R172 IonicContact OE1-NE 3.25Å; E162-R172 PolarHBondContact OE1-NE 2.95Å; E162-R172 IonicContact OE1-NH2 2.77Å; E162-R172 PolarHBondContact OE1-NH2 2.93Å; E162-R172 IonicContact OE2-CZ 3.11Å; E162-R172 VanDerWaalsContact OE2-CZ 3.25Å; E162-R172 IonicContact OE2-NE 3.42Å; E162-R172 PolarHBondContact OE2-NE 3.41Å; E162-R172 IonicContact OE2-NH2 2.69Å; E162-R172 PolarHBondContact OE2-NH2 3.35Å; E162-R172 VanDerWaalsContact OE2-NH2 3.11Å | ||
| 163 | R | 58.8 | Low | 78.5 | Confident | 230 Ų | 230 | 58.1 Ų | 58.1 | 87% | 0.868 | 30% | 0.303 | S | S | * | . | trans | -106.7 | -16.9 | -173.8 | -66.7 | -177.3 | 179.6 | -179.2 | 0.1 | 113.9 | Q161 | Q161-R163 PolarHBondContact O-N 2.93Š| ||
| 164 | D | 61.5 | Low | 78.5 | Confident | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -120.2 | 157.4 | -175.6 | -62.2 | -30.1 | 0 | 0 | 0 | 110.4 | T166 | D164-T166 PolarHBondContact O-N 2.89Š|
| 165 | D | 64.4 | Low | 78.5 | Confident | 148 Ų | 148 | 60.3 Ų | 60.3 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70.6 | 4.6 | -179.6 | -72.5 | -32.3 | 0 | 0 | 0 | 114.4 | H114 | H114-D165 PolarHBondContact CE1-O 3.3Š|
| 166 | T | 66.6 | Low | 78.6 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 60% | 0.595 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -88 | 127.8 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | D164 D168 | D164-T166 PolarHBondContact O-N 2.89Å; T166-D168 PolarHBondContact O-N 3.47Å |
| 167 | P | 70.1 | Confident | 78.9 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | trans | -64.1 | 118.5 | 179.1 | 21.6 | -29.1 | 0 | 0 | 0 | 111.6 | H114 | H114-P167 HydrophobicContact CB-CB 3.65Å; H114-P167 HydrophobicContact CB-CG 3.92Å; H114-P167 VanDerWaalsContact CG-CB 3.48Å | ||
| 168 | D | 85.6 | Confident | 79.3 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | trans | -102.6 | 83.7 | 163.1 | -170.7 | -14.2 | 0 | 0 | 0 | 109.7 | T166 V170 A171 R172 | T166-D168 PolarHBondContact O-N 3.47Å; D168-V170 PolarHBondContact O-N 3.44Å; D168-V170 WeakPolarHBondContact OD1-CB 3.36Å; D168-V170 PolarHBondContact OD1-N 2.85Å; D168-V170 VanDerWaalsContact OD1-N 3.16Å; D168-A171 HydrophobicContact CB-CB 3.84Å; D168-A171 PolarHBondContact O-N 3.17Å; D168-A171 PolarHBondContact OD1-N 3.5Å; D168-A171 WeakPolarHBondContact OD2-CB 3.49Å; D168-R172 WeakPolarHBondContact O-CG 3.35Å; D168-R172 PolarHBondContact O-N 3.09Å | ||
| 169 | W | 88.6 | Confident | 80.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -31.3 | 178.1 | -74.9 | 112.6 | 0 | 0 | 0 | 112.7 | T112 H114 I117 L155 R172 I173 H190 Y195 | T112-W169 HydrophobicContact CG2-CH2 4.31Å; H114-W169 HydrophobicContact CB-CZ2 4.22Å; I117-W169 HydrophobicContact CB-CH2 4.46Å; I117-W169 HydrophobicContact CD1-CH2 4.16Å; I117-W169 HydrophobicContact CD1-CZ3 4.27Å; I117-W169 HydrophobicContact CG2-CH2 3.2Å; I117-W169 HydrophobicContact CG2-CZ2 3.42Å; I117-W169 VanDerWaalsContact CG2-CZ2 3.42Å; I117-W169 HydrophobicContact CG2-CZ3 3.87Å; L155-W169 HydrophobicContact CB-CZ3 4.38Å; W169-R172 HydrophobicContact CE3-CB 4.37Å; W169-R172 PolarHBondContact O-N 2.84Å; W169-I173 WeakPolarHBondContact O-CB 3.24Å; W169-I173 WeakPolarHBondContact O-CD1 3.49Å; W169-I173 WeakPolarHBondContact O-CG1 3.2Å; W169-I173 PolarHBondContact O-N 2.76Å; W169-H190 AromaticContact CD1-CE1 3.82Å; W169-H190 AromaticContact CD1-ND1 3.55Å; W169-H190 AromaticContact CE2-CD2 3.68Å; W169-H190 AromaticContact CE2-CE1 3.99Å; W169-H190 AromaticContact CE2-CG 3.79Å; W169-H190 AromaticContact CE2-NE2 3.8Å; W169-H190 AromaticContact CZ2-CD2 3.6Å; W169-H190 AromaticContact CZ2-NE2 3.81Å; W169-H190 AromaticContact NE1-CD2 3.45Å; W169-H190 PolarHBondContact NE1-CD2 2.82Å; W169-H190 AromaticContact NE1-CE1 3.04Å; W169-H190 PolarHBondContact NE1-CE1 3.47Å; W169-H190 AromaticContact NE1-CG 3.33Å; W169-H190 VanDerWaalsContact NE1-CG 3.33Å; W169-H190 AromaticContact NE1-ND1 3.08Å; W169-H190 PolarHBondContact NE1-ND1 3.24Å; W169-H190 AromaticContact NE1-NE2 3.26Å; W169-H190 PolarHBondContact NE1-NE2 3.36Å; W169-Y195 HydrophobicContact CB-CE2 4.11Å; W169-Y195 HydrophobicContact CG-CE2 4.44Å |
| 170 | V | 90 | Very high | 81.1 | Confident | 27 Ų | 27 | 62.8 Ų | 62.8 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | D168 R172 I173 K174 I255 L266 | D168-V170 PolarHBondContact O-N 3.44Å; D168-V170 WeakPolarHBondContact OD1-CB 3.36Å; D168-V170 PolarHBondContact OD1-N 2.85Å; D168-V170 VanDerWaalsContact OD1-N 3.16Å; V170-R172 VanDerWaalsContact C-N 3.32Å; V170-R172 PolarHBondContact O-N 2.83Å; V170-I173 PolarHBondContact O-N 2.92Å; V170-K174 HydrophobicContact CG1-CD 4.15Å; V170-K174 HydrophobicContact CG1-CG 4.42Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.32Å; V170-K174 PolarHBondContact O-N 2.89Å; V170-I255 HydrophobicContact CG1-CD1 4.42Å; V170-L266 HydrophobicContact CG2-CB 4.4Å; V170-L266 HydrophobicContact CG2-CD1 3.48Å; V170-L266 VanDerWaalsContact CG2-CD1 3.48Å |
| 171 | A | 89.1 | Confident | 82 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | D168 K174 N175 | D168-A171 HydrophobicContact CB-CB 3.84Å; D168-A171 PolarHBondContact O-N 3.17Å; D168-A171 PolarHBondContact OD1-N 3.5Å; D168-A171 WeakPolarHBondContact OD2-CB 3.49Å; A171-K174 WeakPolarHBondContact O-CB 3.3Å; A171-K174 PolarHBondContact O-N 3.23Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-N175 PolarHBondContact O-N 2.8Å |
| 172 | R | 91.8 | Very high | 83.4 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 2% | 0.023 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 174.9 | -72.5 | 169.1 | 177.3 | -99.1 | 1.1 | 112.2 | H114 L155 A156 Y157 T158 P159 E162 D168 W169 V170 N175 L176 | H114-R172 PolarHBondContact NE2-NH2 3.35Å; L155-R172 PolarHBondContact O-NH1 3.23Å; A156-R172 PolarHBondContact O-NH1 3.02Å; Y157-R172 PolarHBondContact O-NH1 3.16Å; T158-R172 PolarHBondContact OG1-NH2 2.5Å; P159-R172 HydrophobicContact CG-CG 3.84Å; E162-R172 VanDerWaalsContact CD-NH2 3.27Å; E162-R172 IonicContact OE1-CZ 3.44Å; E162-R172 IonicContact OE1-NE 3.25Å; E162-R172 PolarHBondContact OE1-NE 2.95Å; E162-R172 IonicContact OE1-NH2 2.77Å; E162-R172 PolarHBondContact OE1-NH2 2.93Å; E162-R172 IonicContact OE2-CZ 3.11Å; E162-R172 VanDerWaalsContact OE2-CZ 3.25Å; E162-R172 IonicContact OE2-NE 3.42Å; E162-R172 PolarHBondContact OE2-NE 3.41Å; E162-R172 IonicContact OE2-NH2 2.69Å; E162-R172 PolarHBondContact OE2-NH2 3.35Å; E162-R172 VanDerWaalsContact OE2-NH2 3.11Å; D168-R172 WeakPolarHBondContact O-CG 3.35Å; D168-R172 PolarHBondContact O-N 3.09Å; W169-R172 HydrophobicContact CE3-CB 4.37Å; W169-R172 PolarHBondContact O-N 2.84Å; V170-R172 VanDerWaalsContact C-N 3.32Å; V170-R172 PolarHBondContact O-N 2.83Å; R172-N175 PolarHBondContact O-N 2.77Å; R172-L176 PolarHBondContact O-N 2.88Å |
| 173 | I | 94.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.4 | -67.7 | 164.2 | 0 | 0 | 0 | 110.1 | L155 W169 V170 N175 L176 M177 I188 Y195 V197 I255 | L155-I173 HydrophobicContact CD2-CG1 3.96Å; W169-I173 WeakPolarHBondContact O-CB 3.24Å; W169-I173 WeakPolarHBondContact O-CD1 3.49Å; W169-I173 WeakPolarHBondContact O-CG1 3.2Å; W169-I173 PolarHBondContact O-N 2.76Å; V170-I173 PolarHBondContact O-N 2.92Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.35Å; I173-L176 WeakPolarHBondContact O-CB 3.24Å; I173-L176 PolarHBondContact O-N 3.48Å; I173-M177 HydrophobicContact CG2-CG 4.29Å; I173-M177 HydrophobicContact CG2-SD 3.87Å; I173-M177 VanDerWaalsContact O-CG 3.26Å; I173-M177 WeakPolarHBondContact O-CG 3.43Å; I173-M177 PolarHBondContact O-N 2.81Å; I173-I188 HydrophobicContact CD1-CD1 3.92Å; I173-I188 HydrophobicContact CG1-CD1 3.78Å; I173-Y195 HydrophobicContact CD1-CD1 4.2Å; I173-Y195 HydrophobicContact CD1-CD2 4.25Å; I173-Y195 HydrophobicContact CD1-CG 3.89Å; I173-V197 HydrophobicContact CD1-CG2 4.29Å; I173-V197 HydrophobicContact CG2-CB 4.49Å; I173-V197 HydrophobicContact CG2-CG1 3.92Å; I173-V197 HydrophobicContact CG2-CG2 3.76Å; I173-I255 HydrophobicContact CB-CD1 4.2Å; I173-I255 HydrophobicContact CD1-CG2 4.24Å; I173-I255 HydrophobicContact CG2-CD1 3.57Å; I173-I255 HydrophobicContact CG2-CG1 3.81Å; I173-I255 HydrophobicContact CG2-CG2 4.28Å |
| 174 | K | 92.7 | Very high | 86.4 | Confident | 71 Ų | 71 | 42.2 Ų | 42.2 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.5 | -72.1 | 174 | 171.3 | 172.7 | 0 | 112.6 | V170 A171 M177 K178 I255 D267 I269 | V170-K174 HydrophobicContact CG1-CD 4.15Å; V170-K174 HydrophobicContact CG1-CG 4.42Å; V170-K174 WeakPolarHBondContact O-CB 3.39Å; V170-K174 WeakPolarHBondContact O-CG 3.32Å; V170-K174 PolarHBondContact O-N 2.89Å; A171-K174 WeakPolarHBondContact O-CB 3.3Å; A171-K174 PolarHBondContact O-N 3.23Å; K174-M177 PolarHBondContact O-N 2.99Å; K174-K178 WeakPolarHBondContact O-CB 3.28Å; K174-K178 PolarHBondContact O-N 3.13Å; K174-I255 HydrophobicContact CG-CD1 3.85Å; K174-D267 VanDerWaalsContact CE-CG 3.43Å; K174-D267 WeakPolarHBondContact CE-OD2 3.29Å; K174-D267 IonicContact NZ-OD2 3.27Å; K174-D267 PolarHBondContact NZ-OD2 2.94Å; K174-I269 HydrophobicContact CB-CD1 4.29Å; K174-I269 HydrophobicContact CD-CD1 4.27Å; K174-I269 HydrophobicContact CG-CD1 3.63Å; K174-I269 HydrophobicContact CG-CG1 4.48Å |
| 175 | N | 91.6 | Very high | 88.2 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.5 | -172.8 | 73.1 | 0 | 0 | 0 | 111.1 | P159 A171 R172 I173 M177 K178 E179 | P159-N175 HydrophobicContact CB-CB 4.02Å; A171-N175 WeakPolarHBondContact O-CB 3.34Å; A171-N175 PolarHBondContact O-N 2.8Å; R172-N175 PolarHBondContact O-N 2.77Å; I173-N175 VanDerWaalsContact C-N 3.32Å; I173-N175 PolarHBondContact O-N 3.35Å; N175-M177 VanDerWaalsContact C-N 3.32Å; N175-M177 PolarHBondContact O-N 3.3Å; N175-K178 PolarHBondContact O-N 3.27Å; N175-E179 PolarHBondContact ND2-OE1 3.49Å; N175-E179 WeakPolarHBondContact O-CG 3.2Å; N175-E179 PolarHBondContact O-N 2.86Å |
| 176 | L | 93.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.1 | -49.1 | 171.6 | 172.8 | 69.5 | 0 | 0 | 0 | 110.8 | I151 L154 L155 R172 I173 K178 E179 A180 L186 | I151-L176 HydrophobicContact CG2-CD2 3.8Å; L154-L176 HydrophobicContact CB-CD1 4.09Å; L154-L176 HydrophobicContact CD1-CD1 3.91Å; L155-L176 HydrophobicContact CD1-CD2 4.29Å; L155-L176 HydrophobicContact CD2-CB 4.25Å; L155-L176 HydrophobicContact CD2-CD2 3.89Å; L155-L176 HydrophobicContact CG-CD2 4.03Å; R172-L176 PolarHBondContact O-N 2.88Å; I173-L176 WeakPolarHBondContact O-CB 3.24Å; I173-L176 PolarHBondContact O-N 3.48Å; L176-K178 VanDerWaalsContact C-N 3.26Å; L176-K178 PolarHBondContact O-N 3.23Å; L176-E179 PolarHBondContact O-N 2.94Å; L176-E179 VanDerWaalsContact O-N 3.1Å; L176-A180 HydrophobicContact CD1-CB 4.38Å; L176-A180 WeakPolarHBondContact O-CB 3.33Å; L176-A180 PolarHBondContact O-N 3.01Å; L176-L186 HydrophobicContact CD2-CD1 3.72Å |
| 177 | M | 93.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -29.2 | -177.8 | -64.9 | 174.8 | 78.3 | 0 | 0 | 113.6 | I173 K174 N175 Y184 V197 R198 P200 G253 I255 I269 | I173-M177 HydrophobicContact CG2-CG 4.29Å; I173-M177 HydrophobicContact CG2-SD 3.87Å; I173-M177 VanDerWaalsContact O-CG 3.26Å; I173-M177 WeakPolarHBondContact O-CG 3.43Å; I173-M177 PolarHBondContact O-N 2.81Å; K174-M177 PolarHBondContact O-N 2.99Å; N175-M177 VanDerWaalsContact C-N 3.32Å; N175-M177 PolarHBondContact O-N 3.3Å; M177-Y184 VanDerWaalsContact CA-OH 3.24Å; M177-Y184 WeakPolarHBondContact CA-OH 3.44Å; M177-Y184 HydrophobicContact CG-CE2 4.29Å; M177-Y184 WeakPolarHBondContact CG-OH 3.5Å; M177-V197 HydrophobicContact CE-CG1 3.98Å; M177-V197 HydrophobicContact CG-CG1 4.21Å; M177-V197 HydrophobicContact SD-CG1 3.58Å; M177-V197 VanDerWaalsContact SD-CG1 3.58Å; M177-R198 VanDerWaalsContact CE-O 3.3Å; M177-R198 WeakPolarHBondContact CE-O 3.49Å; M177-P200 HydrophobicContact CE-CG 4.28Å; M177-G253 WeakPolarHBondContact CE-O 3.28Å; M177-I255 HydrophobicContact SD-CD1 3.86Å; M177-I255 HydrophobicContact SD-CG1 3.73Å; M177-I269 HydrophobicContact CB-CG1 4.41Å; M177-I269 HydrophobicContact CE-CB 3.99Å; M177-I269 HydrophobicContact CE-CG1 3.86Å; M177-I269 HydrophobicContact SD-CB 4.48Å; M177-I269 HydrophobicContact SD-CG1 3.74Å |
| 178 | K | 90.8 | Very high | 92.6 | Very high | 169 Ų | 169 | 22.8 Ų | 22.8 | 74% | 0.735 | 11% | 0.114 | S | C | * | . | H | α-helix | trans | -73 | -36.3 | 173 | -173.5 | 178.1 | -179.1 | 178.7 | 0 | 112.2 | K174 N175 L176 | K174-K178 WeakPolarHBondContact O-CB 3.28Å; K174-K178 PolarHBondContact O-N 3.13Å; N175-K178 PolarHBondContact O-N 3.27Å; L176-K178 VanDerWaalsContact C-N 3.26Å; L176-K178 PolarHBondContact O-N 3.23Å |
| 179 | E | 91 | Very high | 93.1 | Very high | 31 Ų | 31 | 19 Ų | 19 | 15% | 0.145 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -82.1 | -30.4 | -179 | -71.5 | -169.6 | -153.3 | 0 | 0 | 113.4 | N127 R130 L131 K134 N175 L176 | N127-E179 PolarHBondContact ND2-O 2.56Å; R130-E179 PolarHBondContact NH2-O 2.91Å; L131-E179 HydrophobicContact CD2-CB 4.16Å; K134-E179 IonicContact NZ-OE1 3.32Å; K134-E179 PolarHBondContact NZ-OE1 3.38Å; K134-E179 IonicContact NZ-OE2 2.65Å; K134-E179 PolarHBondContact NZ-OE2 3.04Å; N175-E179 PolarHBondContact ND2-OE1 3.49Å; N175-E179 WeakPolarHBondContact O-CG 3.2Å; N175-E179 PolarHBondContact O-N 2.86Å; L176-E179 PolarHBondContact O-N 2.94Å; L176-E179 VanDerWaalsContact O-N 3.1Å |
| 180 | A | 92.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -116.6 | 101.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L125 L131 L176 Y184 | L125-A180 HydrophobicContact CD2-CB 4.03Å; L131-A180 HydrophobicContact CD1-CB 4.26Å; L176-A180 HydrophobicContact CD1-CB 4.38Å; L176-A180 WeakPolarHBondContact O-CB 3.33Å; L176-A180 PolarHBondContact O-N 3.01Å; A180-Y184 HydrophobicContact CB-CE1 3.87Å; A180-Y184 WeakPolarHBondContact O-CE1 3.48Å; A180-Y184 PolarHBondContact O-OH 3.23Å | ||
| 181 | P | 88.4 | Confident | 93.3 | Very high | 38 Ų | 38 | 22.5 Ų | 22.5 | 25% | 0.247 | 11% | 0.105 | C | C | . | . | trans | -76 | -35.4 | -170.6 | 29.4 | -35.3 | 0 | 0 | 0 | 113.7 | V126 P200 V513 | V126-P181 HydrophobicContact CG2-CG 4Å; P181-P200 WeakPolarHBondContact O-CD 3.44Å; P181-V513 HydrophobicContact CB-CG1 4.03Å; P181-V513 HydrophobicContact CG-CB 4.5Å; P181-V513 HydrophobicContact CG-CG1 4.25Å | ||
| 182 | T | 90.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -169.1 | 163.5 | 177.6 | -157.5 | 0 | 0 | 0 | 0 | 107.9 | V126 D199 N203 M428 V513 | V126-T182 HydrophobicContact CG1-CG2 4.16Å; V126-T182 PolarHBondContact N-O 3.15Å; T182-D199 PolarHBondContact OG1-OD1 3.34Å; T182-N203 WeakPolarHBondContact OG1-CB 3.47Å; T182-M428 HydrophobicContact CG2-CG 4.32Å; T182-M428 HydrophobicContact CG2-SD 4.24Å; T182-V513 HydrophobicContact CG2-CB 4.47Å; T182-V513 HydrophobicContact CG2-CG1 3.91Å; T182-V513 HydrophobicContact CG2-CG2 3.65Å |
| 183 | A | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | cis | -120.1 | 126.6 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G123 E124 N203 R204 M428 | G123-A183 CarbonylContact C-O 3.46Å; G123-A183 WeakPolarHBondContact CA-O 3.16Å; E124-A183 PolarHBondContact N-O 2.99Å; E124-A183 PolarHBondContact O-N 3.07Å; A183-N203 HydrophobicContact CB-CB 3.65Å; A183-N203 VanDerWaalsContact CB-OD1 3.29Å; A183-N203 WeakPolarHBondContact CB-OD1 3.4Å; A183-R204 HydrophobicContact CB-CG 4.4Å; A183-M428 HydrophobicContact CB-CB 3.59Å; A183-M428 HydrophobicContact CB-CG 3.99Å; A183-M428 WeakPolarHBondContact CB-O 3.43Å | ||
| 184 | Y | 95.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 147.3 | -179.6 | 52 | -95.4 | 0 | 0 | 0 | 113.2 | H121 N122 L125 M177 A180 L186 V197 D199 | H121-Y184 WeakPolarHBondContact NE2-CB 3.44Å; N122-Y184 CarbonylContact O-C 3.58Å; N122-Y184 VanDerWaalsContact O-CA 3.3Å; N122-Y184 WeakPolarHBondContact O-CA 3.32Å; L125-Y184 HydrophobicContact CD2-CD1 3.66Å; L125-Y184 HydrophobicContact CD2-CE1 4.25Å; M177-Y184 VanDerWaalsContact CA-OH 3.24Å; M177-Y184 WeakPolarHBondContact CA-OH 3.44Å; M177-Y184 HydrophobicContact CG-CE2 4.29Å; M177-Y184 WeakPolarHBondContact CG-OH 3.5Å; A180-Y184 HydrophobicContact CB-CE1 3.87Å; A180-Y184 WeakPolarHBondContact O-CE1 3.48Å; A180-Y184 PolarHBondContact O-OH 3.23Å; Y184-L186 HydrophobicContact CD2-CD1 3.73Å; Y184-L186 HydrophobicContact CD2-CG 3.76Å; Y184-L186 HydrophobicContact CE2-CD1 4.15Å; Y184-L186 HydrophobicContact CG-CD1 4.38Å; Y184-L186 HydrophobicContact CG-CG 4.31Å; Y184-V197 HydrophobicContact CE2-CG1 4.46Å; Y184-D199 HydrophobicContact CD1-CB 4.08Å; Y184-D199 HydrophobicContact CD2-CB 3.94Å; Y184-D199 HydrophobicContact CE1-CB 3.86Å; Y184-D199 HydrophobicContact CE2-CB 3.73Å; Y184-D199 HydrophobicContact CG-CB 4.1Å; Y184-D199 PolarHBondContact N-OD2 2.93Å; Y184-D199 PolarHBondContact O-N 2.84Å |
| 185 | S | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.4 | 157.4 | -71.1 | 0 | 0 | 0 | 0 | 108.2 | N122 V197 R204 P205 | N122-S185 PolarHBondContact N-O 3.39Å; N122-S185 PolarHBondContact O-N 3.46Å; S185-V197 CarbonylContact C-O 3.54Å; S185-V197 WeakPolarHBondContact CA-O 3.07Å; S185-R204 WeakPolarHBondContact OG-CB 3.39Å; S185-R204 PolarHBondContact OG-O 3.31Å; S185-P205 PolarHBondContact OG-O 2.83Å |
| 186 | L | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.5 | -172.1 | -55.9 | 173.5 | 0 | 0 | 0 | 111.1 | A120 H121 I151 L176 Y184 I188 A196 V197 | A120-L186 WeakPolarHBondContact O-CA 3.45Å; H121-L186 HydrophobicContact CB-CD2 3.53Å; H121-L186 WeakPolarHBondContact CD2-CD2 3.49Å; I151-L186 HydrophobicContact CD1-CD2 4.01Å; I151-L186 HydrophobicContact CG2-CD1 4Å; I151-L186 HydrophobicContact CG2-CD2 4.15Å; L176-L186 HydrophobicContact CD2-CD1 3.72Å; Y184-L186 HydrophobicContact CD2-CD1 3.73Å; Y184-L186 HydrophobicContact CD2-CG 3.76Å; Y184-L186 HydrophobicContact CE2-CD1 4.15Å; Y184-L186 HydrophobicContact CG-CD1 4.38Å; Y184-L186 HydrophobicContact CG-CG 4.31Å; L186-I188 HydrophobicContact CB-CG1 4.41Å; L186-A196 WeakPolarHBondContact O-CA 3.39Å; L186-V197 HydrophobicContact CB-CB 4.23Å; L186-V197 PolarHBondContact N-O 3.03Å; L186-V197 PolarHBondContact O-N 3.05Å |
| 187 | L | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.6 | 161.1 | -56.4 | -175.2 | 0 | 0 | 0 | 108.5 | V14 I89 V119 A120 I194 Y195 A196 L206 V232 | V14-L187 HydrophobicContact CB-CD1 3.91Å; V14-L187 HydrophobicContact CB-CG 4.08Å; V14-L187 HydrophobicContact CG2-CD1 4.2Å; V14-L187 HydrophobicContact CG2-CG 4.08Å; I89-L187 HydrophobicContact CB-CB 4.48Å; I89-L187 HydrophobicContact CG2-CB 3.96Å; I89-L187 HydrophobicContact CG2-CD1 4.29Å; V119-L187 WeakPolarHBondContact CA-O 3.11Å; A120-L187 HydrophobicContact CB-CB 4.36Å; A120-L187 PolarHBondContact N-O 3.05Å; A120-L187 PolarHBondContact O-N 3.37Å; L187-I194 HydrophobicContact CB-CG2 4.47Å; L187-Y195 WeakPolarHBondContact CA-O 3.33Å; L187-A196 HydrophobicContact CD2-CB 4.1Å; L187-L206 HydrophobicContact CD2-CD1 4.21Å; L187-V232 HydrophobicContact CD1-CG1 3.82Å; L187-V232 HydrophobicContact CD2-CB 4.15Å; L187-V232 HydrophobicContact CD2-CG1 3.38Å; L187-V232 HydrophobicContact CD2-CG2 3.66Å; L187-V232 HydrophobicContact CG-CG1 4.25Å |
| 188 | I | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.4 | 179.4 | -54.5 | 162.7 | 0 | 0 | 0 | 107.7 | A118 V119 L155 I173 L186 I194 Y195 V197 | A118-I188 CarbonylContact O-C 3.42Å; A118-I188 WeakPolarHBondContact O-CA 3.34Å; V119-I188 HydrophobicContact CG1-CG1 4.44Å; V119-I188 HydrophobicContact CG2-CG1 4.33Å; V119-I188 HydrophobicContact CG2-CG2 4.32Å; L155-I188 HydrophobicContact CD1-CD1 3.61Å; L155-I188 HydrophobicContact CD1-CG1 4.02Å; L155-I188 HydrophobicContact CD2-CD1 4.24Å; I173-I188 HydrophobicContact CD1-CD1 3.92Å; I173-I188 HydrophobicContact CG1-CD1 3.78Å; L186-I188 HydrophobicContact CB-CG1 4.41Å; I188-I194 CarbonylContact O-C 3.56Å; I188-I194 WeakPolarHBondContact O-CA 3.26Å; I188-Y195 HydrophobicContact CB-CD2 4.39Å; I188-Y195 HydrophobicContact CG2-CD2 4.43Å; I188-Y195 PolarHBondContact N-O 3.28Å; I188-Y195 PolarHBondContact O-N 3.32Å; I188-V197 HydrophobicContact CD1-CG2 4.31Å |
| 189 | M | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.2 | 178.2 | -174 | 174.5 | 76 | 0 | 0 | 110.2 | V51 Y61 L87 I89 I117 A118 I194 | V51-M189 HydrophobicContact CB-CE 4.42Å; V51-M189 HydrophobicContact CG1-CE 3.78Å; Y61-M189 HydrophobicContact CD1-CE 3.73Å; Y61-M189 HydrophobicContact CE1-CE 3.38Å; Y61-M189 PolarHBondContact OH-O 2.96Å; L87-M189 HydrophobicContact CD1-CG 3.86Å; L87-M189 HydrophobicContact CD1-SD 4.02Å; L87-M189 HydrophobicContact CG-CG 4.39Å; L87-M189 HydrophobicContact CG-SD 3.89Å; I89-M189 HydrophobicContact CD1-CB 4.15Å; I89-M189 HydrophobicContact CG1-CB 4.31Å; I89-M189 HydrophobicContact CG2-CB 4.17Å; I117-M189 WeakPolarHBondContact CA-O 3.26Å; A118-M189 HydrophobicContact CB-CB 4.32Å; A118-M189 HydrophobicContact CB-CE 4.18Å; A118-M189 PolarHBondContact N-O 3.39Å; A118-M189 PolarHBondContact O-N 3.27Å; M189-I194 HydrophobicContact CB-CG1 4.49Å; M189-I194 HydrophobicContact CG-CG1 4.3Å |
| 190 | H | 93.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.028 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 126.4 | 175.1 | 179 | -100.9 | 0 | 0 | 0 | 109.1 | Y61 H114 K116 I117 W169 D192 V193 Y195 | Y61-H190 WeakPolarHBondContact OH-CA 3.49Å; H114-H190 PolarHBondContact O-NE2 3.39Å; K116-H190 PolarHBondContact O-CD2 3.43Å; I117-H190 HydrophobicContact CG2-CB 4.27Å; W169-H190 AromaticContact CD1-CE1 3.82Å; W169-H190 AromaticContact CD1-ND1 3.55Å; W169-H190 AromaticContact CE2-CD2 3.68Å; W169-H190 AromaticContact CE2-CE1 3.99Å; W169-H190 AromaticContact CE2-CG 3.79Å; W169-H190 AromaticContact CE2-NE2 3.8Å; W169-H190 AromaticContact CZ2-CD2 3.6Å; W169-H190 AromaticContact CZ2-NE2 3.81Å; W169-H190 AromaticContact NE1-CD2 3.45Å; W169-H190 PolarHBondContact NE1-CD2 2.82Å; W169-H190 AromaticContact NE1-CE1 3.04Å; W169-H190 PolarHBondContact NE1-CE1 3.47Å; W169-H190 AromaticContact NE1-CG 3.33Å; W169-H190 VanDerWaalsContact NE1-CG 3.33Å; W169-H190 AromaticContact NE1-ND1 3.08Å; W169-H190 PolarHBondContact NE1-ND1 3.24Å; W169-H190 AromaticContact NE1-NE2 3.26Å; W169-H190 PolarHBondContact NE1-NE2 3.36Å; H190-D192 PolarHBondContact O-N 3.2Å; H190-D192 VanDerWaalsContact O-N 3.14Å; H190-V193 PolarHBondContact N-O 3.07Å; H190-V193 VanDerWaalsContact N-O 3.14Å; H190-V193 WeakPolarHBondContact O-CG2 3.29Å; H190-V193 PolarHBondContact O-N 3.08Å; H190-V193 VanDerWaalsContact O-N 3.12Å; H190-Y195 HydrophobicContact CB-CE2 4.49Å |
| 191 | R | 90.3 | Very high | 95.5 | Very high | 102 Ų | 102 | 12.7 Ų | 12.7 | 39% | 0.385 | 6% | 0.06 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -115.4 | -178.5 | -65.1 | 175.9 | 178.2 | 170.9 | -0.1 | 112 | G55 P59 | G55-R191 WeakPolarHBondContact CA-O 3.35Å; P59-R191 HydrophobicContact CG-CG 4.42Å |
| 192 | D | 92.5 | Very high | 95.8 | Very high | 63 Ų | 63 | 10.9 Ų | 10.9 | 34% | 0.337 | 5% | 0.049 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 9.2 | -173.5 | 64.3 | -36.2 | 0 | 0 | 0 | 113.6 | I18 W23 H190 | I18-D192 VanDerWaalsContact CD1-O 3.31Å; I18-D192 WeakPolarHBondContact CD1-O 3.48Å; W23-D192 HydrophobicContact CH2-CB 3.94Å; W23-D192 HydrophobicContact CZ3-CB 3.71Å; H190-D192 PolarHBondContact O-N 3.2Å; H190-D192 VanDerWaalsContact O-N 3.14Å |
| 193 | V | 95.7 | Very high | 96 | Very high | 11 Ų | 11 | 10.9 Ų | 10.9 | 7% | 0.067 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.9 | -177.8 | -59.6 | 0 | 0 | 0 | 0 | 113.2 | H190 Y195 E257 I258 | H190-V193 PolarHBondContact N-O 3.07Å; H190-V193 VanDerWaalsContact N-O 3.14Å; H190-V193 WeakPolarHBondContact O-CG2 3.29Å; H190-V193 PolarHBondContact O-N 3.08Å; H190-V193 VanDerWaalsContact O-N 3.12Å; V193-Y195 HydrophobicContact CG2-CD2 4.33Å; V193-Y195 HydrophobicContact CG2-CE1 4.43Å; V193-Y195 HydrophobicContact CG2-CE2 3.62Å; V193-E257 HydrophobicContact CB-CG 4.29Å; V193-E257 HydrophobicContact CG1-CG 4.15Å; V193-I258 WeakPolarHBondContact CA-O 3.48Å |
| 194 | I | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.3 | 166.5 | -60 | 175.8 | 0 | 0 | 0 | 107.7 | I18 L87 I89 L187 I188 M189 V232 I258 | I18-I194 HydrophobicContact CB-CD1 4.28Å; L87-I194 HydrophobicContact CB-CD1 4.37Å; L87-I194 HydrophobicContact CD1-CG1 4.08Å; I89-I194 HydrophobicContact CG2-CD1 3.97Å; I89-I194 HydrophobicContact CG2-CG1 4.32Å; I89-I194 HydrophobicContact CG2-CG2 4.13Å; L187-I194 HydrophobicContact CB-CG2 4.47Å; I188-I194 CarbonylContact O-C 3.56Å; I188-I194 WeakPolarHBondContact O-CA 3.26Å; M189-I194 HydrophobicContact CB-CG1 4.49Å; M189-I194 HydrophobicContact CG-CG1 4.3Å; I194-V232 HydrophobicContact CG2-CG1 4.43Å; I194-I258 PolarHBondContact N-O 3.35Å; I194-I258 WeakPolarHBondContact O-CB 3.49Å; I194-I258 PolarHBondContact O-N 2.98Å |
| 195 | Y | 98.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 10.9 Ų | 10.9 | 8% | 0.075 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.7 | 167.4 | -55.4 | -82.5 | 0 | 0 | 0 | 109.8 | W169 I173 L187 I188 H190 V193 V256 E257 L266 | W169-Y195 HydrophobicContact CB-CE2 4.11Å; W169-Y195 HydrophobicContact CG-CE2 4.44Å; I173-Y195 HydrophobicContact CD1-CD1 4.2Å; I173-Y195 HydrophobicContact CD1-CD2 4.25Å; I173-Y195 HydrophobicContact CD1-CG 3.89Å; L187-Y195 WeakPolarHBondContact CA-O 3.33Å; I188-Y195 HydrophobicContact CB-CD2 4.39Å; I188-Y195 HydrophobicContact CG2-CD2 4.43Å; I188-Y195 PolarHBondContact N-O 3.28Å; I188-Y195 PolarHBondContact O-N 3.32Å; H190-Y195 HydrophobicContact CB-CE2 4.49Å; V193-Y195 HydrophobicContact CG2-CD2 4.33Å; V193-Y195 HydrophobicContact CG2-CE1 4.43Å; V193-Y195 HydrophobicContact CG2-CE2 3.62Å; Y195-V256 CarbonylContact C-O 3.57Å; Y195-V256 VanDerWaalsContact CA-O 3.25Å; Y195-V256 WeakPolarHBondContact CA-O 3.29Å; Y195-E257 HydrophobicContact CD1-CB 4.27Å; Y195-E257 HydrophobicContact CE1-CB 4.26Å; Y195-E257 HydrophobicContact CE1-CG 4.29Å; Y195-L266 HydrophobicContact CD1-CD1 4.18Å; Y195-L266 HydrophobicContact CE1-CD1 3.73Å |
| 196 | A | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L186 L187 L206 V232 V250 V256 I258 | L186-A196 WeakPolarHBondContact O-CA 3.39Å; L187-A196 HydrophobicContact CD2-CB 4.1Å; A196-L206 HydrophobicContact CB-CD2 4Å; A196-V232 HydrophobicContact CB-CG2 3.81Å; A196-V250 HydrophobicContact CB-CG2 4.29Å; A196-V256 HydrophobicContact CB-CB 4.32Å; A196-V256 PolarHBondContact N-O 3.4Å; A196-V256 PolarHBondContact O-N 3.49Å; A196-I258 HydrophobicContact CB-CD1 4.19Å |
| 197 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.9 | -172.6 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | I173 M177 Y184 S185 L186 I188 I255 | I173-V197 HydrophobicContact CD1-CG2 4.29Å; I173-V197 HydrophobicContact CG2-CB 4.49Å; I173-V197 HydrophobicContact CG2-CG1 3.92Å; I173-V197 HydrophobicContact CG2-CG2 3.76Å; M177-V197 HydrophobicContact CE-CG1 3.98Å; M177-V197 HydrophobicContact CG-CG1 4.21Å; M177-V197 HydrophobicContact SD-CG1 3.58Å; M177-V197 VanDerWaalsContact SD-CG1 3.58Å; Y184-V197 HydrophobicContact CE2-CG1 4.46Å; S185-V197 CarbonylContact C-O 3.54Å; S185-V197 WeakPolarHBondContact CA-O 3.07Å; L186-V197 HydrophobicContact CB-CB 4.23Å; L186-V197 PolarHBondContact N-O 3.03Å; L186-V197 PolarHBondContact O-N 3.05Å; I188-V197 HydrophobicContact CD1-CG2 4.31Å; V197-I255 HydrophobicContact CG1-CG1 4.37Å; V197-I255 HydrophobicContact CG2-CG2 4.31Å |
| 198 | R | 97.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 11 Ų | 11 | 3% | 0.03 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.6 | 174.2 | -159.3 | 178.2 | 179 | 176.3 | -3.2 | 109.3 | M177 G202 R204 E249 V250 G253 E254 F279 | M177-R198 VanDerWaalsContact CE-O 3.3Å; M177-R198 WeakPolarHBondContact CE-O 3.49Å; R198-G202 PolarHBondContact NE-O 3.2Å; R198-G202 PolarHBondContact NH2-O 3.24Å; R198-R204 PolarHBondContact NE-O 3Å; R198-R204 PolarHBondContact NH2-O 2.91Å; R198-E249 IonicContact NH1-OE1 2.71Å; R198-E249 PolarHBondContact NH1-OE1 3.3Å; R198-V250 HydrophobicContact CB-CB 4.48Å; R198-V250 HydrophobicContact CB-CG1 3.87Å; R198-V250 WeakPolarHBondContact CD-O 3.44Å; R198-V250 PolarHBondContact NH1-O 2.98Å; R198-G253 VanDerWaalsContact O-CA 3.3Å; R198-G253 WeakPolarHBondContact O-CA 3.41Å; R198-G253 PolarHBondContact O-N 3.26Å; R198-E254 PolarHBondContact N-O 3.36Å; R198-F279 VanDerWaalsContact NH2-CE2 3.29Å |
| 199 | D | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -56 | 154.6 | -179.1 | 71.5 | 92.4 | 0 | 0 | 0 | 112.2 | T182 Y184 Y201 G202 N203 G253 | T182-D199 PolarHBondContact OG1-OD1 3.34Å; Y184-D199 HydrophobicContact CD1-CB 4.08Å; Y184-D199 HydrophobicContact CD2-CB 3.94Å; Y184-D199 HydrophobicContact CE1-CB 3.86Å; Y184-D199 HydrophobicContact CE2-CB 3.73Å; Y184-D199 HydrophobicContact CG-CB 4.1Å; Y184-D199 PolarHBondContact N-OD2 2.93Å; Y184-D199 PolarHBondContact O-N 2.84Å; D199-Y201 PolarHBondContact O-N 3.42Å; D199-Y201 VanDerWaalsContact O-N 3.1Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.21Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.44Å; D199-Y201 PolarHBondContact OD1-N 2.86Å; D199-Y201 VanDerWaalsContact OD1-N 3.1Å; D199-G202 WeakPolarHBondContact O-CA 3.46Å; D199-G202 PolarHBondContact O-N 2.81Å; D199-G202 PolarHBondContact OD1-N 3.12Å; D199-G202 VanDerWaalsContact OD1-N 3.1Å; D199-N203 PolarHBondContact OD1-N 3.48Å; D199-N203 PolarHBondContact OD2-N 2.92Å; D199-G253 PolarHBondContact O-N 3.06Å | ||
| 200 | P | 95.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.039 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -34.9 | -178.7 | -30.9 | 35.4 | 0 | 0 | 0 | 115.3 | M177 P181 G202 P252 I269 R271 | M177-P200 HydrophobicContact CE-CG 4.28Å; P181-P200 WeakPolarHBondContact O-CD 3.44Å; P200-G202 VanDerWaalsContact C-N 3.34Å; P200-P252 WeakPolarHBondContact O-CB 3.46Å; P200-I269 HydrophobicContact CG-CG2 4.34Å; P200-R271 VanDerWaalsContact C-CG 3.49Å; P200-R271 HydrophobicContact CB-CG 3.98Å; P200-R271 VanDerWaalsContact O-CD 3.22Å; P200-R271 WeakPolarHBondContact O-CD 3.32Å; P200-R271 WeakPolarHBondContact O-CG 3.46Å; P200-R271 PolarHBondContact O-NH1 2.75Å |
| 201 | Y | 94.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 13 Ų | 13 | 4% | 0.043 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -12.9 | 178.2 | -69.8 | -93.2 | 0 | 0 | 0 | 113.4 | D199 N203 R271 D275 A278 P512 V513 | D199-Y201 PolarHBondContact O-N 3.42Å; D199-Y201 VanDerWaalsContact O-N 3.1Å; D199-Y201 WeakPolarHBondContact OD1-CA 3.21Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.44Å; D199-Y201 PolarHBondContact OD1-N 2.86Å; D199-Y201 VanDerWaalsContact OD1-N 3.1Å; Y201-N203 VanDerWaalsContact C-N 3.32Å; Y201-R271 HydrophobicContact CD1-CG 4.43Å; Y201-R271 HydrophobicContact CG-CG 4.44Å; Y201-D275 HydrophobicContact CE1-CB 3.92Å; Y201-D275 PolarHBondContact OH-OD2 3.38Å; Y201-A278 HydrophobicContact CD1-CB 4.05Å; Y201-A278 PolarHBondContact O-N 3.1Å; Y201-P512 HydrophobicContact CD1-CB 3.87Å; Y201-P512 HydrophobicContact CE1-CB 4.01Å; Y201-P512 WeakPolarHBondContact CE1-O 3.35Å; Y201-P512 PolarHBondContact OH-O 3.09Å; Y201-V513 HydrophobicContact CD2-CG1 4.04Å; Y201-V513 HydrophobicContact CE1-CG1 4.46Å; Y201-V513 HydrophobicContact CE2-CG1 3.42Å; Y201-V513 VanDerWaalsContact CE2-CG1 3.42Å |
| 202 | G | 95 | Very high | 96.1 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | trans | 68.1 | 30.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | R198 D199 P200 F279 | R198-G202 PolarHBondContact NE-O 3.2Å; R198-G202 PolarHBondContact NH2-O 3.24Å; D199-G202 WeakPolarHBondContact O-CA 3.46Å; D199-G202 PolarHBondContact O-N 2.81Å; D199-G202 PolarHBondContact OD1-N 3.12Å; D199-G202 VanDerWaalsContact OD1-N 3.1Å; P200-G202 VanDerWaalsContact C-N 3.34Å; G202-F279 WeakPolarHBondContact O-CD2 3.37Å | ||
| 203 | N | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -66 | -47.4 | -166 | -173.7 | -97.2 | 0 | 0 | 0 | 113.1 | T182 A183 D199 Y201 A278 F279 C280 C503 | T182-N203 WeakPolarHBondContact OG1-CB 3.47Å; A183-N203 HydrophobicContact CB-CB 3.65Å; A183-N203 VanDerWaalsContact CB-OD1 3.29Å; A183-N203 WeakPolarHBondContact CB-OD1 3.4Å; D199-N203 PolarHBondContact OD1-N 3.48Å; D199-N203 PolarHBondContact OD2-N 2.92Å; Y201-N203 VanDerWaalsContact C-N 3.32Å; N203-A278 WeakPolarHBondContact CA-O 3.36Å; N203-A278 PolarHBondContact ND2-O 2.83Å; N203-F279 WeakPolarHBondContact O-CD2 3.4Å; N203-C280 WeakPolarHBondContact O-CB 3.09Å; N203-C280 PolarHBondContact O-N 2.82Å; N203-C503 WeakPolarHBondContact ND2-CB 3.43Å | ||
| 204 | R | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -90.2 | 147.9 | 176.9 | -63.5 | -63.4 | 124.1 | -171.9 | 4.6 | 111 | E10 A183 S185 R198 C280 M428 | E10-R204 IonicContact OE1-CZ 2.7Å; E10-R204 IonicContact OE1-NH1 2.57Å; E10-R204 PolarHBondContact OE1-NH1 2.93Å; A183-R204 HydrophobicContact CB-CG 4.4Å; S185-R204 WeakPolarHBondContact OG-CB 3.39Å; S185-R204 PolarHBondContact OG-O 3.31Å; R198-R204 PolarHBondContact NE-O 3Å; R198-R204 PolarHBondContact NH2-O 2.91Å; R204-C280 PolarHBondContact NH2-SG 3.34Å; R204-C280 VanDerWaalsContact NH2-SG 3.4Å; R204-M428 PolarHBondContact NE-O 3.42Å; R204-M428 PolarHBondContact NH2-O 2.86Å |
| 205 | P | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -80 | 146.8 | -178 | 34.3 | -38.1 | 0 | 0 | 0 | 112.1 | S185 S234 F279 E283 F294 | S185-P205 PolarHBondContact OG-O 2.83Å; P205-S234 VanDerWaalsContact CB-O 3.26Å; P205-S234 WeakPolarHBondContact CB-O 2.96Å; P205-S234 WeakPolarHBondContact CG-O 3.28Å; P205-F279 HydrophobicContact CB-CE2 3.92Å; P205-F279 HydrophobicContact CB-CZ 4.21Å; P205-E283 WeakPolarHBondContact CD-OE1 3.41Å; P205-E283 WeakPolarHBondContact CG-OE1 3.48Å; P205-F294 HydrophobicContact CB-CD1 3.98Å; P205-F294 HydrophobicContact CB-CE1 3.39Å; P205-F294 HydrophobicContact CB-CZ 3.85Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 4.03Å | ||
| 206 | L | 98.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -155.7 | 128.4 | 173.1 | -165.8 | 63.7 | 0 | 0 | 0 | 109.4 | V14 L187 A196 V232 V250 | V14-L206 HydrophobicContact CG2-CD1 3.9Å; L187-L206 HydrophobicContact CD2-CD1 4.21Å; A196-L206 HydrophobicContact CB-CD2 4Å; L206-V232 HydrophobicContact CD1-CG2 3.7Å; L206-V232 HydrophobicContact CD2-CG2 4.45Å; L206-V232 HydrophobicContact CG-CG2 3.93Å; L206-V250 HydrophobicContact CB-CB 4.16Å; L206-V250 HydrophobicContact CB-CG2 4.28Å; L206-V250 HydrophobicContact CD2-CB 4.17Å; L206-V250 HydrophobicContact CD2-CG1 4.33Å; L206-V250 HydrophobicContact CD2-CG2 3.95Å; L206-V250 HydrophobicContact CG-CB 4.26Å; L206-V250 HydrophobicContact CG-CG2 3.9Å; L206-V250 PolarHBondContact O-N 3.17Å | ||
| 207 | C | 98.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 156.7 | -177.7 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | V232 S233 E235 S236 F239 Y246 E249 | C207-V232 CarbonylContact O-C 3.5Å; C207-V232 VanDerWaalsContact O-CA 3.29Å; C207-V232 WeakPolarHBondContact O-CA 3.3Å; C207-V232 WeakPolarHBondContact O-CG2 3.43Å; C207-S233 PolarHBondContact N-O 3.15Å; C207-S233 PolarHBondContact O-N 3.35Å; C207-S233 PolarHBondContact SG-O 3.2Å; C207-E235 VanDerWaalsContact SG-C 3.58Å; C207-S236 PolarHBondContact SG-N 3.18Å; C207-S236 VanDerWaalsContact SG-N 3.42Å; C207-F239 VanDerWaalsContact SG-CZ 3.55Å; C207-Y246 HydrophobicContact CB-CE2 4.05Å; C207-E249 HydrophobicContact CB-CG 4.19Å |
| 208 | I | 98.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.7 | -177.7 | -62 | 176 | 0 | 0 | 0 | 109.2 | W230 V231 V232 S247 H248 V250 V256 I258 V263 | I208-W230 HydrophobicContact CG2-CE3 4.02Å; I208-W230 HydrophobicContact CG2-CZ3 4.49Å; I208-V231 CarbonylContact C-O 3.51Å; I208-V231 WeakPolarHBondContact CA-O 3.26Å; I208-V232 HydrophobicContact CG1-CB 4.4Å; I208-V232 HydrophobicContact CG1-CG2 4.22Å; I208-S247 WeakPolarHBondContact O-CA 3.45Å; I208-S247 VanDerWaalsContact O-CB 3.25Å; I208-S247 WeakPolarHBondContact O-CB 3.37Å; I208-S247 PolarHBondContact O-N 2.95Å; I208-H248 PolarHBondContact N-O 3.39Å; I208-H248 PolarHBondContact O-N 3.24Å; I208-V250 HydrophobicContact CD1-CG2 3.91Å; I208-V250 HydrophobicContact CG1-CG2 3.94Å; I208-V256 HydrophobicContact CD1-CB 4.4Å; I208-V256 HydrophobicContact CD1-CG1 3.75Å; I208-I258 HydrophobicContact CD1-CD1 4.13Å; I208-I258 HydrophobicContact CG1-CD1 4.37Å; I208-V263 HydrophobicContact CD1-CG1 3.77Å; I208-V263 HydrophobicContact CG2-CG2 4.09Å |
| 209 | G | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 160.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V231 R245 | G209-V231 PolarHBondContact N-O 3.47Å; G209-V231 WeakPolarHBondContact O-CG2 3.4Å; G209-V231 PolarHBondContact O-N 2.86Å; G209-R245 CarbonylContact C-O 3.59Å; G209-R245 VanDerWaalsContact CA-O 3.25Å; G209-R245 WeakPolarHBondContact CA-O 3.05Å |
| 210 | R | 95.3 | Very high | 85.9 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.4 | 178.6 | -168 | 174.4 | 73.9 | 96.7 | -4.9 | 109.1 | S224 E226 T227 W230 A244 R245 | R210-S224 PolarHBondContact NH1-O 3.47Å; R210-S224 PolarHBondContact NH2-O 3.18Å; R210-E226 PolarHBondContact NH1-O 3.04Å; R210-T227 WeakPolarHBondContact CD-OG1 3.49Å; R210-T227 HydrophobicContact CG-CG2 3.43Å; R210-T227 VanDerWaalsContact CG-CG2 3.43Å; R210-T227 PolarHBondContact NH1-OG1 3.12Å; R210-W230 HydrophobicContact CB-CE3 4.08Å; R210-W230 HydrophobicContact CB-CH2 4.32Å; R210-W230 HydrophobicContact CB-CZ3 3.79Å; R210-W230 HydrophobicContact CG-CE3 4.2Å; R210-W230 HydrophobicContact CG-CH2 3.98Å; R210-W230 HydrophobicContact CG-CZ2 4.32Å; R210-W230 HydrophobicContact CG-CZ3 3.91Å; R210-A244 CarbonylContact O-C 3.57Å; R210-A244 VanDerWaalsContact O-CA 3.3Å; R210-A244 WeakPolarHBondContact O-CA 3.38Å; R210-R245 PolarHBondContact N-O 2.92Å; R210-R245 PolarHBondContact O-N 2.84Å |
| 211 | L | 93.3 | Very high | 84 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.7 | 171.3 | -71 | 166 | 0 | 0 | 0 | 108.9 | L27 V32 E228 G229 V231 I242 A244 | L27-L211 HydrophobicContact CD2-CD1 3.87Å; V32-L211 HydrophobicContact CG1-CD1 4.13Å; V32-L211 HydrophobicContact CG1-CD2 4.4Å; L211-E228 HydrophobicContact CB-CB 4.36Å; L211-E228 PolarHBondContact O-N 3.22Å; L211-E228 VanDerWaalsContact O-N 3.09Å; L211-G229 WeakPolarHBondContact CB-O 3.35Å; L211-G229 PolarHBondContact N-O 2.95Å; L211-V231 HydrophobicContact CD1-CG1 3.66Å; L211-V231 HydrophobicContact CD2-CG1 4.22Å; L211-V231 HydrophobicContact CG-CG1 3.76Å; L211-I242 HydrophobicContact CD2-CB 4.34Å; L211-I242 HydrophobicContact CD2-CD1 4.12Å; L211-I242 HydrophobicContact CD2-CG1 4.07Å; L211-I242 VanDerWaalsContact CD2-O 3.24Å; L211-I242 WeakPolarHBondContact CD2-O 3.15Å; L211-A244 HydrophobicContact CD2-CB 3.92Å; L211-A244 HydrophobicContact CG-CB 4.43Å |
| 212 | I | 89.2 | Confident | 82.2 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -119.2 | 150.6 | 178.9 | 53.5 | 151.9 | 0 | 0 | 0 | 109.9 | D216 I217 G243 R245 | I212-D216 HydrophobicContact CD1-CB 4.35Å; I212-I217 HydrophobicContact CD1-CB 4.47Å; I212-I217 HydrophobicContact CD1-CG1 3.9Å; I212-I217 HydrophobicContact CG1-CG1 4.19Å; I212-G243 WeakPolarHBondContact CG1-O 3.33Å; I212-G243 PolarHBondContact N-O 3.31Å; I212-R245 HydrophobicContact CD1-CG 3.93Å; I212-R245 HydrophobicContact CG1-CG 4.19Å; I212-R245 HydrophobicContact CG2-CG 4.43Å | ||
| 213 | P | 82.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | trans | -53 | 141.7 | 175.2 | -26.2 | 34.5 | 0 | 0 | 0 | 112.3 | S215 D216 I217 E226 E228 | P213-S215 PolarHBondContact O-N 3.05Å; P213-S215 VanDerWaalsContact O-N 3.11Å; P213-D216 PolarHBondContact O-N 2.9Å; P213-I217 PolarHBondContact O-N 3.05Å; P213-E226 HydrophobicContact CG-CB 4.48Å; P213-E228 WeakPolarHBondContact CA-OE2 3.35Å; P213-E228 HydrophobicContact CG-CG 3.98Å | ||
| 214 | V | 76.7 | Confident | 78.4 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.3 | -33.8 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 112.2 | D216 I217 | V214-D216 PolarHBondContact O-N 3.46Å; V214-I217 HydrophobicContact CB-CD1 4.32Å; V214-I217 HydrophobicContact CG1-CD1 4.34Å; V214-I217 HydrophobicContact CG2-CD1 4.32Å; V214-I217 PolarHBondContact O-N 3Å |
| 215 | S | 72.5 | Confident | 76.9 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 66% | 0.657 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -27.6 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | P213 | P213-S215 PolarHBondContact O-N 3.05Å; P213-S215 VanDerWaalsContact O-N 3.11Å |
| 216 | D | 74 | Confident | 76 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -100.5 | -4.7 | -174.3 | -66.2 | -7.5 | 0 | 0 | 0 | 112.6 | I212 P213 V214 N218 D219 S224 R245 | I212-D216 HydrophobicContact CD1-CB 4.35Å; P213-D216 PolarHBondContact O-N 2.9Å; V214-D216 PolarHBondContact O-N 3.46Å; D216-N218 VanDerWaalsContact C-N 3.3Å; D216-N218 PolarHBondContact O-N 3.26Å; D216-D219 PolarHBondContact O-N 3.28Å; D216-S224 WeakPolarHBondContact OD2-CB 3.46Å; D216-S224 PolarHBondContact OD2-OG 3.26Å; D216-R245 PolarHBondContact O-NH2 3.07Å |
| 217 | I | 69.3 | Low | 75.6 | Confident | 61 Ų | 61 | 74.3 Ų | 74.3 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | -179.9 | -67.3 | 176.3 | 0 | 0 | 0 | 111.1 | I212 P213 V214 | I212-I217 HydrophobicContact CD1-CB 4.47Å; I212-I217 HydrophobicContact CD1-CG1 3.9Å; I212-I217 HydrophobicContact CG1-CG1 4.19Å; P213-I217 PolarHBondContact O-N 3.05Å; V214-I217 HydrophobicContact CB-CD1 4.32Å; V214-I217 HydrophobicContact CG1-CD1 4.34Å; V214-I217 HydrophobicContact CG2-CD1 4.32Å; V214-I217 PolarHBondContact O-N 3Å |
| 218 | N | 63.6 | Low | 75.3 | Confident | 154 Ų | 154 | 78 Ų | 78 | 82% | 0.824 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -88.6 | -11.1 | -176.8 | -68.6 | -31.4 | 0 | 0 | 0 | 114 | D216 | D216-N218 VanDerWaalsContact C-N 3.3Å; D216-N218 PolarHBondContact O-N 3.26Å |
| 219 | D | 65.1 | Low | 75.2 | Confident | 52 Ų | 52 | 78 Ų | 78 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -101.4 | 88.4 | -178.6 | -160.6 | -25.3 | 0 | 0 | 0 | 109.6 | D216 E221 K222 R245 | D216-D219 PolarHBondContact O-N 3.28Å; D219-E221 PolarHBondContact O-N 2.75Å; D219-E221 PolarHBondContact OD1-N 2.63Å; D219-K222 HydrophobicContact CB-CB 4.2Å; D219-K222 HydrophobicContact CB-CD 4.23Å; D219-K222 HydrophobicContact CB-CG 4.37Å; D219-K222 PolarHBondContact OD1-N 2.78Å; D219-K222 VanDerWaalsContact OD1-N 3.16Å; D219-K222 WeakPolarHBondContact OD2-CD 3.45Å; D219-K222 WeakPolarHBondContact OD2-CE 3.5Å; D219-K222 WeakPolarHBondContact OD2-CG 3.32Å; D219-K222 IonicContact OD2-NZ 3.66Å; D219-K222 PolarHBondContact OD2-NZ 2.86Å; D219-R245 PolarHBondContact O-NH2 3.25Å | ||
| 220 | K | 57.1 | Low | 75.2 | Confident | 193 Ų | 193 | 79.8 Ų | 79.8 | 84% | 0.839 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -68.5 | -22 | -179.8 | -71.3 | -174.9 | 178.2 | 179.7 | 0 | 112.7 | ||
| 221 | E | 56.5 | Low | 75.3 | Confident | 188 Ų | 188 | 77.6 Ų | 77.6 | 88% | 0.879 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -85.5 | -27.5 | -178.8 | -66.2 | -168.6 | 163.2 | 0 | 0 | 112.1 | D219 K223 | D219-E221 PolarHBondContact O-N 2.75Å; D219-E221 PolarHBondContact OD1-N 2.63Å; E221-K223 PolarHBondContact O-N 3.06Å; E221-K223 VanDerWaalsContact O-N 3.08Å |
| 222 | K | 57.5 | Low | 75.6 | Confident | 113 Ų | 113 | 77.5 Ų | 77.5 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | trans | -68 | 108.5 | 166.3 | -77.3 | -178.8 | -170.7 | 162.4 | 0 | 110.7 | D219 S224 R245 | D219-K222 HydrophobicContact CB-CB 4.2Å; D219-K222 HydrophobicContact CB-CD 4.23Å; D219-K222 HydrophobicContact CB-CG 4.37Å; D219-K222 PolarHBondContact OD1-N 2.78Å; D219-K222 VanDerWaalsContact OD1-N 3.16Å; D219-K222 WeakPolarHBondContact OD2-CD 3.45Å; D219-K222 WeakPolarHBondContact OD2-CE 3.5Å; D219-K222 WeakPolarHBondContact OD2-CG 3.32Å; D219-K222 IonicContact OD2-NZ 3.66Å; D219-K222 PolarHBondContact OD2-NZ 2.86Å; K222-S224 PolarHBondContact O-N 3.22Å; K222-R245 PolarHBondContact O-NH1 2.76Å | ||
| 223 | K | 54.8 | Low | 76 | Confident | 201 Ų | 201 | 77.2 Ų | 77.2 | 87% | 0.874 | 40% | 0.396 | S | S | * | . | trans | -64.8 | 80.5 | 151.1 | -74.3 | -176.4 | -179.9 | 177.8 | 0 | 107.5 | E221 S225 | E221-K223 PolarHBondContact O-N 3.06Å; E221-K223 VanDerWaalsContact O-N 3.08Å; K223-S225 PolarHBondContact O-N 3.24Å | ||
| 224 | S | 56.3 | Low | 76.7 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | trans | -51.5 | 111.5 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | R210 D216 K222 E226 | R210-S224 PolarHBondContact NH1-O 3.47Å; R210-S224 PolarHBondContact NH2-O 3.18Å; D216-S224 WeakPolarHBondContact OD2-CB 3.46Å; D216-S224 PolarHBondContact OD2-OG 3.26Å; K222-S224 PolarHBondContact O-N 3.22Å; S224-E226 PolarHBondContact OG-O 3.26Å | ||
| 225 | S | 62.5 | Low | 77.7 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 85% | 0.853 | 36% | 0.359 | S | S | * | . | trans | -74.5 | -19.2 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | K223 | K223-S225 PolarHBondContact O-N 3.24Š| ||
| 226 | E | 79.5 | Confident | 78.9 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | trans | -89.9 | 138.5 | -174.4 | -161.6 | 161.9 | -154.7 | 0 | 0 | 110.8 | R210 P213 S224 | R210-E226 PolarHBondContact NH1-O 3.04Å; P213-E226 HydrophobicContact CG-CB 4.48Å; S224-E226 PolarHBondContact OG-O 3.26Å | ||
| 227 | T | 88.3 | Confident | 79.9 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | trans | -126.6 | 116.2 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 107 | S20 R210 G229 W230 | S20-T227 VanDerWaalsContact CB-O 3.26Å; S20-T227 WeakPolarHBondContact CB-O 3.47Å; R210-T227 WeakPolarHBondContact CD-OG1 3.49Å; R210-T227 HydrophobicContact CG-CG2 3.43Å; R210-T227 VanDerWaalsContact CG-CG2 3.43Å; R210-T227 PolarHBondContact NH1-OG1 3.12Å; T227-G229 VanDerWaalsContact C-N 3.32Å; T227-G229 VanDerWaalsContact CG2-O 3.29Å; T227-G229 WeakPolarHBondContact CG2-O 3.34Å; T227-W230 HydrophobicContact CG2-CD2 4.41Å; T227-W230 HydrophobicContact CG2-CZ2 4.21Å | ||
| 228 | E | 92.3 | Very high | 81.1 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -77.2 | -26.5 | 177 | -68 | -174.7 | 125.8 | 0 | 0 | 111.3 | A19 S20 L211 P213 | A19-E228 WeakPolarHBondContact CA-O 3.31Å; S20-E228 PolarHBondContact N-O 3.36Å; L211-E228 HydrophobicContact CB-CB 4.36Å; L211-E228 PolarHBondContact O-N 3.22Å; L211-E228 VanDerWaalsContact O-N 3.09Å; P213-E228 WeakPolarHBondContact CA-OE2 3.35Å; P213-E228 HydrophobicContact CG-CG 3.98Å |
| 229 | G | 95.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 173.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I18 L211 T227 | I18-G229 CarbonylContact O-C 3.56Å; I18-G229 WeakPolarHBondContact O-CA 3.29Å; L211-G229 WeakPolarHBondContact CB-O 3.35Å; L211-G229 PolarHBondContact N-O 2.95Å; T227-G229 VanDerWaalsContact C-N 3.32Å; T227-G229 VanDerWaalsContact CG2-O 3.29Å; T227-G229 WeakPolarHBondContact CG2-O 3.34Å |
| 230 | W | 97.7 | Very high | 83.8 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.8 | 173.1 | -65 | 95.9 | 0 | 0 | 0 | 109.3 | C17 I18 S20 I208 R210 T227 I258 V263 | C17-W230 WeakPolarHBondContact CA-O 3.37Å; I18-W230 HydrophobicContact CG2-CB 3.92Å; I18-W230 PolarHBondContact N-O 3.31Å; I18-W230 PolarHBondContact O-N 2.68Å; S20-W230 PolarHBondContact OG-NE1 3.33Å; I208-W230 HydrophobicContact CG2-CE3 4.02Å; I208-W230 HydrophobicContact CG2-CZ3 4.49Å; R210-W230 HydrophobicContact CB-CE3 4.08Å; R210-W230 HydrophobicContact CB-CH2 4.32Å; R210-W230 HydrophobicContact CB-CZ3 3.79Å; R210-W230 HydrophobicContact CG-CE3 4.2Å; R210-W230 HydrophobicContact CG-CH2 3.98Å; R210-W230 HydrophobicContact CG-CZ2 4.32Å; R210-W230 HydrophobicContact CG-CZ3 3.91Å; T227-W230 HydrophobicContact CG2-CD2 4.41Å; T227-W230 HydrophobicContact CG2-CZ2 4.21Å; W230-I258 HydrophobicContact CB-CG2 3.49Å; W230-I258 VanDerWaalsContact CB-CG2 3.49Å; W230-I258 HydrophobicContact CG-CG2 4.09Å; W230-V263 HydrophobicContact CB-CG2 4.42Å; W230-V263 HydrophobicContact CD2-CG2 3.47Å; W230-V263 VanDerWaalsContact CD2-CG2 3.47Å; W230-V263 HydrophobicContact CE3-CG2 3.45Å; W230-V263 VanDerWaalsContact CE3-CG2 3.45Å; W230-V263 HydrophobicContact CG-CG2 3.9Å; W230-V263 HydrophobicContact CH2-CG2 4.3Å; W230-V263 HydrophobicContact CZ2-CG2 4.34Å; W230-V263 HydrophobicContact CZ3-CG2 3.88Å |
| 231 | V | 98.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 149 | 175.8 | -67 | 0 | 0 | 0 | 0 | 109.9 | F15 G16 C17 V32 I208 G209 L211 F239 I242 A244 | F15-V231 HydrophobicContact CE1-CB 4.38Å; F15-V231 HydrophobicContact CE1-CG1 4.15Å; F15-V231 HydrophobicContact CZ-CB 3.84Å; F15-V231 HydrophobicContact CZ-CG1 3.83Å; G16-V231 CarbonylContact O-C 3.59Å; G16-V231 WeakPolarHBondContact O-CA 3.32Å; C17-V231 HydrophobicContact CB-CG1 4.12Å; V32-V231 HydrophobicContact CG1-CG1 4.39Å; I208-V231 CarbonylContact C-O 3.51Å; I208-V231 WeakPolarHBondContact CA-O 3.26Å; G209-V231 PolarHBondContact N-O 3.47Å; G209-V231 WeakPolarHBondContact O-CG2 3.4Å; G209-V231 PolarHBondContact O-N 2.86Å; L211-V231 HydrophobicContact CD1-CG1 3.66Å; L211-V231 HydrophobicContact CD2-CG1 4.22Å; L211-V231 HydrophobicContact CG-CG1 3.76Å; V231-F239 HydrophobicContact CB-CE1 4.43Å; V231-F239 HydrophobicContact CG2-CD1 3.82Å; V231-F239 HydrophobicContact CG2-CE1 3.64Å; V231-F239 HydrophobicContact CG2-CZ 4.31Å; V231-I242 HydrophobicContact CB-CD1 4.49Å; V231-I242 HydrophobicContact CG1-CD1 4.02Å; V231-I242 HydrophobicContact CG2-CD1 4.3Å; V231-A244 HydrophobicContact CG2-CB 3.69Å |
| 232 | V | 98.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.2 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 108.4 | F15 G16 L187 I194 A196 L206 C207 I208 I258 | F15-V232 CarbonylContact C-O 3.54Å; F15-V232 VanDerWaalsContact CA-O 3.32Å; F15-V232 WeakPolarHBondContact CA-O 3.42Å; G16-V232 PolarHBondContact N-O 2.98Å; G16-V232 PolarHBondContact O-N 3.09Å; L187-V232 HydrophobicContact CD1-CG1 3.82Å; L187-V232 HydrophobicContact CD2-CB 4.15Å; L187-V232 HydrophobicContact CD2-CG1 3.38Å; L187-V232 HydrophobicContact CD2-CG2 3.66Å; L187-V232 HydrophobicContact CG-CG1 4.25Å; I194-V232 HydrophobicContact CG2-CG1 4.43Å; A196-V232 HydrophobicContact CB-CG2 3.81Å; L206-V232 HydrophobicContact CD1-CG2 3.7Å; L206-V232 HydrophobicContact CD2-CG2 4.45Å; L206-V232 HydrophobicContact CG-CG2 3.93Å; C207-V232 CarbonylContact O-C 3.5Å; C207-V232 VanDerWaalsContact O-CA 3.29Å; C207-V232 WeakPolarHBondContact O-CA 3.3Å; C207-V232 WeakPolarHBondContact O-CG2 3.43Å; I208-V232 HydrophobicContact CG1-CB 4.4Å; I208-V232 HydrophobicContact CG1-CG2 4.22Å; V232-I258 HydrophobicContact CB-CD1 3.84Å; V232-I258 HydrophobicContact CG1-CD1 4Å; V232-I258 HydrophobicContact CG2-CD1 4.49Å |
| 233 | S | 98.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 150.6 | -172.8 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | V14 L40 C207 E235 S238 | V14-S233 WeakPolarHBondContact O-CA 3.5Å; L40-S233 WeakPolarHBondContact CD1-OG 3.27Å; C207-S233 PolarHBondContact N-O 3.15Å; C207-S233 PolarHBondContact O-N 3.35Å; C207-S233 PolarHBondContact SG-O 3.2Å; S233-E235 PolarHBondContact O-N 3.46Å; S233-E235 PolarHBondContact OG-N 3.06Å; S233-E235 PolarHBondContact OG-O 3.12Å; S233-E235 VanDerWaalsContact OG-O 3.05Å; S233-S238 WeakPolarHBondContact CB-OG 3.39Å; S233-S238 PolarHBondContact OG-OG 2.89Å |
| 234 | S | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -54.2 | -34.8 | 166.7 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | V14 P205 | V14-S234 WeakPolarHBondContact CG2-OG 3.5Å; V14-S234 PolarHBondContact N-OG 3.31Å; V14-S234 PolarHBondContact O-N 2.96Å; P205-S234 VanDerWaalsContact CB-O 3.26Å; P205-S234 WeakPolarHBondContact CB-O 2.96Å; P205-S234 WeakPolarHBondContact CG-O 3.28Å |
| 235 | E | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -140.1 | 142.9 | -176.5 | -82.5 | -178.8 | -99.7 | 0 | 0 | 113.4 | L40 H42 R43 C207 S233 C237 S238 A288 R289 S292 F294 | L40-E235 HydrophobicContact CD2-CB 3.72Å; H42-E235 IonicContact CD2-OE1 2.73Å; H42-E235 IonicContact CE1-OE1 3.37Å; H42-E235 PolarHBondContact CE1-OE1 2.93Å; H42-E235 IonicContact NE2-OE1 3.61Å; H42-E235 PolarHBondContact NE2-OE1 3.46Å; H42-E235 IonicContact NE2-OE2 2.74Å; R43-E235 IonicContact CZ-OE1 3.75Å; R43-E235 IonicContact NE-OE1 3.9Å; R43-E235 PolarHBondContact NE-OE1 2.68Å; R43-E235 VanDerWaalsContact NH2-CG 3.31Å; R43-E235 IonicContact NH2-OE1 3.87Å; R43-E235 PolarHBondContact NH2-OE1 3.05Å; C207-E235 VanDerWaalsContact SG-C 3.58Å; S233-E235 PolarHBondContact O-N 3.46Å; S233-E235 PolarHBondContact OG-N 3.06Å; S233-E235 PolarHBondContact OG-O 3.12Å; S233-E235 VanDerWaalsContact OG-O 3.05Å; E235-C237 PolarHBondContact O-N 3.14Å; E235-S238 PolarHBondContact O-N 3.36Å; E235-S238 PolarHBondContact O-OG 3.25Å; E235-A288 WeakPolarHBondContact OE2-CA 3.19Å; E235-A288 VanDerWaalsContact OE2-CB 3.32Å; E235-A288 WeakPolarHBondContact OE2-CB 3.23Å; E235-R289 PolarHBondContact OE2-N 3.41Å; E235-S292 WeakPolarHBondContact CB-OG 3.49Å; E235-S292 VanDerWaalsContact CD-OG 3.3Å; E235-S292 WeakPolarHBondContact CG-OG 3.49Å; E235-S292 VanDerWaalsContact OE2-CB 3.26Å; E235-S292 WeakPolarHBondContact OE2-CB 3.43Å; E235-S292 PolarHBondContact OE2-OG 2.99Å; E235-F294 HydrophobicContact CG-CE1 3.92Å; E235-F294 HydrophobicContact CG-CZ 3.63Å | ||
| 236 | S | 97.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -67.5 | -18.9 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | C207 S238 F239 I293 | C207-S236 PolarHBondContact SG-N 3.18Å; C207-S236 VanDerWaalsContact SG-N 3.42Å; S236-S238 PolarHBondContact O-N 2.94Å; S236-S238 VanDerWaalsContact O-N 3.16Å; S236-F239 VanDerWaalsContact O-CB 3.29Å; S236-F239 WeakPolarHBondContact O-CB 3.18Å; S236-F239 WeakPolarHBondContact O-CG 3.43Å; S236-F239 PolarHBondContact O-N 3.43Å; S236-I293 PolarHBondContact OG-N 2.95Å |
| 237 | C | 95.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.4 | -178.3 | 75.4 | 0 | 0 | 0 | 0 | 113.2 | E235 F239 R289 S292 | E235-C237 PolarHBondContact O-N 3.14Å; C237-F239 VanDerWaalsContact C-N 3.33Å; C237-R289 HydrophobicContact CB-CB 4.22Å; C237-R289 PolarHBondContact O-NH2 3.18Å; C237-R289 VanDerWaalsContact SG-CZ 3.5Å; C237-S292 WeakPolarHBondContact CB-OG 3Å; C237-S292 PolarHBondContact SG-OG 2.95Å |
| 238 | S | 94.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -75.5 | -19 | 174.3 | 66 | 0 | 0 | 0 | 0 | 113.4 | G36 S233 E235 S236 S241 | G36-S238 WeakPolarHBondContact O-CB 3.3Å; S233-S238 WeakPolarHBondContact CB-OG 3.39Å; S233-S238 PolarHBondContact OG-OG 2.89Å; E235-S238 PolarHBondContact O-N 3.36Å; E235-S238 PolarHBondContact O-OG 3.25Å; S236-S238 PolarHBondContact O-N 2.94Å; S236-S238 VanDerWaalsContact O-N 3.16Å; S238-S241 PolarHBondContact O-OG 3.44Å |
| 239 | F | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -36.9 | -172 | -65.5 | -14.9 | 0 | 0 | 0 | 113.1 | C207 V231 S236 C237 S241 I242 G243 A244 Y246 | C207-F239 VanDerWaalsContact SG-CZ 3.55Å; V231-F239 HydrophobicContact CB-CE1 4.43Å; V231-F239 HydrophobicContact CG2-CD1 3.82Å; V231-F239 HydrophobicContact CG2-CE1 3.64Å; V231-F239 HydrophobicContact CG2-CZ 4.31Å; S236-F239 VanDerWaalsContact O-CB 3.29Å; S236-F239 WeakPolarHBondContact O-CB 3.18Å; S236-F239 WeakPolarHBondContact O-CG 3.43Å; S236-F239 PolarHBondContact O-N 3.43Å; C237-F239 VanDerWaalsContact C-N 3.33Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 2.86Å; F239-I242 WeakPolarHBondContact O-CG1 3.48Å; F239-I242 PolarHBondContact O-N 2.96Å; F239-G243 PolarHBondContact O-N 3.46Å; F239-A244 HydrophobicContact CB-CB 3.75Å; F239-A244 WeakPolarHBondContact CB-O 3.47Å; F239-A244 HydrophobicContact CD1-CB 4.24Å; F239-A244 HydrophobicContact CG-CB 4.06Å; F239-A244 PolarHBondContact O-N 2.93Å; F239-Y246 HydrophobicContact CD2-CD2 4.4Å; F239-Y246 HydrophobicContact CE2-CD2 4.04Å |
| 240 | L | 89.5 | Confident | 94.9 | Very high | 146 Ų | 146 | 28.9 Ų | 28.9 | 76% | 0.764 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -62.4 | -39.9 | -177.7 | -175.5 | 64.7 | 0 | 0 | 0 | 112.1 | I242 G243 | L240-I242 PolarHBondContact O-N 3Å; L240-G243 PolarHBondContact O-N 3.05Å |
| 241 | S | 87.3 | Confident | 94.9 | Very high | 65 Ų | 65 | 32.4 Ų | 32.4 | 46% | 0.455 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -67.4 | -15.7 | -178.5 | 40.3 | 0 | 0 | 0 | 0 | 114.4 | S238 F239 | S238-S241 PolarHBondContact O-OG 3.44Å; F239-S241 VanDerWaalsContact C-N 3.33Å; F239-S241 PolarHBondContact O-N 2.86Å |
| 242 | I | 91.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -117.9 | 7.9 | -178.1 | 63.3 | 177.5 | 0 | 0 | 0 | 112.5 | F15 V32 L35 L211 V231 F239 L240 A244 | F15-I242 HydrophobicContact CE1-CD1 4.38Å; F15-I242 HydrophobicContact CE2-CD1 3.96Å; F15-I242 HydrophobicContact CZ-CD1 3.36Å; V32-I242 HydrophobicContact CG1-CB 4.34Å; V32-I242 HydrophobicContact CG1-CD1 4.1Å; V32-I242 HydrophobicContact CG1-CG2 4.4Å; L35-I242 HydrophobicContact CB-CG2 3.5Å; L35-I242 VanDerWaalsContact CB-CG2 3.5Å; L35-I242 HydrophobicContact CD1-CG2 4.31Å; L211-I242 HydrophobicContact CD2-CB 4.34Å; L211-I242 HydrophobicContact CD2-CD1 4.12Å; L211-I242 HydrophobicContact CD2-CG1 4.07Å; L211-I242 VanDerWaalsContact CD2-O 3.24Å; L211-I242 WeakPolarHBondContact CD2-O 3.15Å; V231-I242 HydrophobicContact CB-CD1 4.49Å; V231-I242 HydrophobicContact CG1-CD1 4.02Å; V231-I242 HydrophobicContact CG2-CD1 4.3Å; F239-I242 WeakPolarHBondContact O-CG1 3.48Å; F239-I242 PolarHBondContact O-N 2.96Å; L240-I242 PolarHBondContact O-N 3Å; I242-A244 VanDerWaalsContact C-N 3.3Å; I242-A244 HydrophobicContact CD1-CB 4.07Å; I242-A244 HydrophobicContact CG1-CB 3.9Å; I242-A244 PolarHBondContact O-N 3.03Å |
| 243 | G | 90.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 21.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I212 F239 L240 | I212-G243 WeakPolarHBondContact CG1-O 3.33Å; I212-G243 PolarHBondContact N-O 3.31Å; F239-G243 PolarHBondContact O-N 3.46Å; L240-G243 PolarHBondContact O-N 3.05Å |
| 244 | A | 93.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 34 Ų | 34 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 139.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R210 L211 V231 F239 I242 | R210-A244 CarbonylContact O-C 3.57Å; R210-A244 VanDerWaalsContact O-CA 3.3Å; R210-A244 WeakPolarHBondContact O-CA 3.38Å; L211-A244 HydrophobicContact CD2-CB 3.92Å; L211-A244 HydrophobicContact CG-CB 4.43Å; V231-A244 HydrophobicContact CG2-CB 3.69Å; F239-A244 HydrophobicContact CB-CB 3.75Å; F239-A244 WeakPolarHBondContact CB-O 3.47Å; F239-A244 HydrophobicContact CD1-CB 4.24Å; F239-A244 HydrophobicContact CG-CB 4.06Å; F239-A244 PolarHBondContact O-N 2.93Å; I242-A244 VanDerWaalsContact C-N 3.3Å; I242-A244 HydrophobicContact CD1-CB 4.07Å; I242-A244 HydrophobicContact CG1-CB 3.9Å; I242-A244 PolarHBondContact O-N 3.03Å |
| 245 | R | 92.8 | Very high | 94.6 | Very high | 72 Ų | 72 | 34 Ų | 34 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.1 | 168.2 | -67.9 | -175.1 | 179.8 | 176.8 | 6 | 109.3 | G209 R210 I212 D216 D219 K222 S247 | G209-R245 CarbonylContact C-O 3.59Å; G209-R245 VanDerWaalsContact CA-O 3.25Å; G209-R245 WeakPolarHBondContact CA-O 3.05Å; R210-R245 PolarHBondContact N-O 2.92Å; R210-R245 PolarHBondContact O-N 2.84Å; I212-R245 HydrophobicContact CD1-CG 3.93Å; I212-R245 HydrophobicContact CG1-CG 4.19Å; I212-R245 HydrophobicContact CG2-CG 4.43Å; D216-R245 PolarHBondContact O-NH2 3.07Å; D219-R245 PolarHBondContact O-NH2 3.25Å; K222-R245 PolarHBondContact O-NH1 2.76Å; R245-S247 PolarHBondContact O-N 3.07Å |
| 246 | Y | 94.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 34 Ų | 34 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 134 | 173.1 | 175.9 | -92.8 | 0 | 0 | 0 | 110.7 | C207 F239 E249 | C207-Y246 HydrophobicContact CB-CE2 4.05Å; F239-Y246 HydrophobicContact CD2-CD2 4.4Å; F239-Y246 HydrophobicContact CE2-CD2 4.04Å; Y246-E249 PolarHBondContact OH-N 3.16Å |
| 247 | S | 95 | Very high | 94.7 | Very high | 52 Ų | 52 | 34.8 Ų | 34.8 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -67.5 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | I208 R245 | I208-S247 WeakPolarHBondContact O-CA 3.45Å; I208-S247 VanDerWaalsContact O-CB 3.25Å; I208-S247 WeakPolarHBondContact O-CB 3.37Å; I208-S247 PolarHBondContact O-N 2.95Å; R245-S247 PolarHBondContact O-N 3.07Å |
| 248 | H | 95.1 | Very high | 94.8 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 166.2 | 179.9 | 55.7 | -76 | 0 | 0 | 0 | 110.8 | I208 | I208-H248 PolarHBondContact N-O 3.39Å; I208-H248 PolarHBondContact O-N 3.24Å |
| 249 | E | 96.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 147.1 | 167.2 | -78.7 | 173.1 | 89.6 | 0 | 0 | 112.3 | R198 C207 Y246 E295 | R198-E249 IonicContact NH1-OE1 2.71Å; R198-E249 PolarHBondContact NH1-OE1 3.3Å; C207-E249 HydrophobicContact CB-CG 4.19Å; Y246-E249 PolarHBondContact OH-N 3.16Å; E249-E295 VanDerWaalsContact OE2-CA 3.31Å; E249-E295 WeakPolarHBondContact OE2-CA 3.08Å; E249-E295 PolarHBondContact OE2-N 2.79Å |
| 250 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -71 | 126.2 | 163.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | A196 R198 L206 I208 E254 V256 | A196-V250 HydrophobicContact CB-CG2 4.29Å; R198-V250 HydrophobicContact CB-CB 4.48Å; R198-V250 HydrophobicContact CB-CG1 3.87Å; R198-V250 WeakPolarHBondContact CD-O 3.44Å; R198-V250 PolarHBondContact NH1-O 2.98Å; L206-V250 HydrophobicContact CB-CB 4.16Å; L206-V250 HydrophobicContact CB-CG2 4.28Å; L206-V250 HydrophobicContact CD2-CB 4.17Å; L206-V250 HydrophobicContact CD2-CG1 4.33Å; L206-V250 HydrophobicContact CD2-CG2 3.95Å; L206-V250 HydrophobicContact CG-CB 4.26Å; L206-V250 HydrophobicContact CG-CG2 3.9Å; L206-V250 PolarHBondContact O-N 3.17Å; I208-V250 HydrophobicContact CD1-CG2 3.91Å; I208-V250 HydrophobicContact CG1-CG2 3.94Å; V250-E254 HydrophobicContact CG1-CB 3.92Å; V250-E254 HydrophobicContact CG1-CG 4.48Å; V250-V256 HydrophobicContact CG1-CG2 3.98Å; V250-V256 HydrophobicContact CG2-CG2 4.37Å |
| 251 | K | 96.2 | Very high | 95.1 | Very high | 113 Ų | 113 | 39 Ų | 39 | 49% | 0.491 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -74.3 | 157.2 | -175.2 | -63.9 | 176.5 | -175.2 | 170.7 | 0 | 111.5 | G253 E254 | K251-G253 PolarHBondContact O-N 3.17Å; K251-E254 HydrophobicContact CB-CB 4Å; K251-E254 WeakPolarHBondContact CB-OE2 3.3Å; K251-E254 PolarHBondContact N-OE2 3.36Å; K251-E254 WeakPolarHBondContact O-CB 3.39Å; K251-E254 PolarHBondContact O-N 2.92Å |
| 252 | P | 95.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 128.2 | 171.5 | -25.7 | 34.9 | 0 | 0 | 0 | 111.7 | P200 E254 V277 | P200-P252 WeakPolarHBondContact O-CB 3.46Å; P252-E254 PolarHBondContact O-N 3.16Å; P252-V277 HydrophobicContact CB-CG1 4.35Å; P252-V277 HydrophobicContact CG-CG1 3.87Å |
| 253 | G | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 1.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M177 R198 D199 K251 T268 I269 | M177-G253 WeakPolarHBondContact CE-O 3.28Å; R198-G253 VanDerWaalsContact O-CA 3.3Å; R198-G253 WeakPolarHBondContact O-CA 3.41Å; R198-G253 PolarHBondContact O-N 3.26Å; D199-G253 PolarHBondContact O-N 3.06Å; K251-G253 PolarHBondContact O-N 3.17Å; G253-T268 CarbonylContact O-C 3.52Å; G253-T268 WeakPolarHBondContact O-CA 3.42Å; G253-I269 PolarHBondContact O-N 3.4Å |
| 254 | E | 97.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 137.3 | -175 | -164.3 | 177.7 | -154.4 | 0 | 0 | 112.3 | R198 V250 K251 P252 V256 T265 | R198-E254 PolarHBondContact N-O 3.36Å; V250-E254 HydrophobicContact CG1-CB 3.92Å; V250-E254 HydrophobicContact CG1-CG 4.48Å; K251-E254 HydrophobicContact CB-CB 4Å; K251-E254 WeakPolarHBondContact CB-OE2 3.3Å; K251-E254 PolarHBondContact N-OE2 3.36Å; K251-E254 WeakPolarHBondContact O-CB 3.39Å; K251-E254 PolarHBondContact O-N 2.92Å; P252-E254 PolarHBondContact O-N 3.16Å; E254-V256 HydrophobicContact CB-CG2 4.48Å; E254-V256 VanDerWaalsContact CD-CG2 3.47Å; E254-V256 HydrophobicContact CG-CG2 3.62Å; E254-T265 HydrophobicContact CG-CG2 3.62Å; E254-T265 WeakPolarHBondContact OE1-CB 3.36Å; E254-T265 WeakPolarHBondContact OE1-CG2 3.34Å; E254-T265 PolarHBondContact OE1-OG1 2.92Å |
| 255 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 109 | 169.3 | -55.5 | 171.8 | 0 | 0 | 0 | 107 | V170 I173 K174 M177 V197 L266 D267 I269 | V170-I255 HydrophobicContact CG1-CD1 4.42Å; I173-I255 HydrophobicContact CB-CD1 4.2Å; I173-I255 HydrophobicContact CD1-CG2 4.24Å; I173-I255 HydrophobicContact CG2-CD1 3.57Å; I173-I255 HydrophobicContact CG2-CG1 3.81Å; I173-I255 HydrophobicContact CG2-CG2 4.28Å; K174-I255 HydrophobicContact CG-CD1 3.85Å; M177-I255 HydrophobicContact SD-CD1 3.86Å; M177-I255 HydrophobicContact SD-CG1 3.73Å; V197-I255 HydrophobicContact CG1-CG1 4.37Å; V197-I255 HydrophobicContact CG2-CG2 4.31Å; I255-L266 HydrophobicContact CG2-CB 4.47Å; I255-L266 PolarHBondContact O-N 3.14Å; I255-D267 HydrophobicContact CD1-CB 4.35Å; I255-D267 PolarHBondContact N-O 2.88Å; I255-I269 HydrophobicContact CD1-CG1 4.45Å |
| 256 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | Y195 A196 I208 V250 E254 I258 V263 | Y195-V256 CarbonylContact C-O 3.57Å; Y195-V256 VanDerWaalsContact CA-O 3.25Å; Y195-V256 WeakPolarHBondContact CA-O 3.29Å; A196-V256 HydrophobicContact CB-CB 4.32Å; A196-V256 PolarHBondContact N-O 3.4Å; A196-V256 PolarHBondContact O-N 3.49Å; I208-V256 HydrophobicContact CD1-CB 4.4Å; I208-V256 HydrophobicContact CD1-CG1 3.75Å; V250-V256 HydrophobicContact CG1-CG2 3.98Å; V250-V256 HydrophobicContact CG2-CG2 4.37Å; E254-V256 HydrophobicContact CB-CG2 4.48Å; E254-V256 VanDerWaalsContact CD-CG2 3.47Å; E254-V256 HydrophobicContact CG-CG2 3.62Å; V256-I258 HydrophobicContact CG1-CG1 4.2Å; V256-V263 HydrophobicContact CG1-CG1 3.38Å |
| 257 | E | 98.1 | Very high | 96.2 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.1 | 169.2 | 177.8 | -173.5 | 74 | 0 | 0 | 109.7 | V193 Y195 V263 R264 L266 | V193-E257 HydrophobicContact CB-CG 4.29Å; V193-E257 HydrophobicContact CG1-CG 4.15Å; Y195-E257 HydrophobicContact CD1-CB 4.27Å; Y195-E257 HydrophobicContact CE1-CB 4.26Å; Y195-E257 HydrophobicContact CE1-CG 4.29Å; E257-V263 WeakPolarHBondContact O-CA 3Å; E257-R264 PolarHBondContact N-O 2.61Å; E257-R264 PolarHBondContact O-N 3.44Å; E257-R264 IonicContact OE1-CZ 2.74Å; E257-R264 IonicContact OE1-NE 3.61Å; E257-R264 PolarHBondContact OE1-NE 3.33Å; E257-R264 IonicContact OE1-NH2 3.72Å; E257-R264 PolarHBondContact OE1-NH2 3.03Å; E257-R264 IonicContact OE2-NH2 2.97Å; E257-L266 HydrophobicContact CB-CD1 3.68Å; E257-L266 HydrophobicContact CB-CD2 4.07Å; E257-L266 HydrophobicContact CB-CG 3.75Å; E257-L266 HydrophobicContact CG-CD1 4.42Å |
| 258 | I | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.9 | 175.5 | -45.9 | 178.5 | 0 | 0 | 0 | 107.6 | I18 V193 I194 A196 I208 W230 V232 V256 V263 | I18-I258 HydrophobicContact CG2-CB 4.31Å; I18-I258 HydrophobicContact CG2-CG2 3.38Å; V193-I258 WeakPolarHBondContact CA-O 3.48Å; I194-I258 PolarHBondContact N-O 3.35Å; I194-I258 WeakPolarHBondContact O-CB 3.49Å; I194-I258 PolarHBondContact O-N 2.98Å; A196-I258 HydrophobicContact CB-CD1 4.19Å; I208-I258 HydrophobicContact CD1-CD1 4.13Å; I208-I258 HydrophobicContact CG1-CD1 4.37Å; W230-I258 HydrophobicContact CB-CG2 3.49Å; W230-I258 VanDerWaalsContact CB-CG2 3.49Å; W230-I258 HydrophobicContact CG-CG2 4.09Å; V232-I258 HydrophobicContact CB-CD1 3.84Å; V232-I258 HydrophobicContact CG1-CD1 4Å; V232-I258 HydrophobicContact CG2-CD1 4.49Å; V256-I258 HydrophobicContact CG1-CG1 4.2Å; I258-V263 HydrophobicContact CG2-CG2 4.13Å |
| 259 | S | 96.3 | Very high | 96 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 175 | -179.9 | 70.8 | 0 | 0 | 0 | 0 | 110.7 | H261 G262 | S259-H261 PolarHBondContact O-N 3.33Å; S259-H261 VanDerWaalsContact O-N 3.08Å; S259-H261 PolarHBondContact OG-N 3.2Å; S259-H261 VanDerWaalsContact OG-N 3.16Å; S259-G262 PolarHBondContact N-O 3.44Å; S259-G262 PolarHBondContact O-N 3.36Å; S259-G262 VanDerWaalsContact O-N 3.14Å; S259-G262 PolarHBondContact OG-O 2.74Å |
| 260 | R | 94.3 | Very high | 95.6 | Very high | 74 Ų | 74 | 47.5 Ų | 47.5 | 28% | 0.279 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.1 | 169.3 | 63.4 | -176.6 | -74.6 | -157.1 | -10.2 | 114.6 | S20 G21 W23 | S20-R260 WeakPolarHBondContact CA-O 3.45Å; G21-R260 PolarHBondContact N-O 3.04Å; G21-R260 PolarHBondContact O-NE 3.44Å; G21-R260 PolarHBondContact O-NH2 2.78Å; W23-R260 HydrophobicContact CH2-CB 4.42Å; W23-R260 HydrophobicContact CZ2-CB 3.63Å; W23-R260 HydrophobicContact CZ2-CG 4.33Å |
| 261 | H | 93.6 | Very high | 95.2 | Very high | 154 Ų | 154 | 49.9 Ų | 49.9 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.2 | -178.9 | -58.6 | -60.5 | 0 | 0 | 0 | 113.2 | S259 | S259-H261 PolarHBondContact O-N 3.33Å; S259-H261 VanDerWaalsContact O-N 3.08Å; S259-H261 PolarHBondContact OG-N 3.2Å; S259-H261 VanDerWaalsContact OG-N 3.16Å |
| 262 | G | 94.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140 | -166.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | S259 | S259-G262 PolarHBondContact N-O 3.44Å; S259-G262 PolarHBondContact O-N 3.36Å; S259-G262 VanDerWaalsContact O-N 3.14Å; S259-G262 PolarHBondContact OG-O 2.74Å |
| 263 | V | 96.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.6 | -177.8 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | I208 W230 V256 E257 I258 | I208-V263 HydrophobicContact CD1-CG1 3.77Å; I208-V263 HydrophobicContact CG2-CG2 4.09Å; W230-V263 HydrophobicContact CB-CG2 4.42Å; W230-V263 HydrophobicContact CD2-CG2 3.47Å; W230-V263 VanDerWaalsContact CD2-CG2 3.47Å; W230-V263 HydrophobicContact CE3-CG2 3.45Å; W230-V263 VanDerWaalsContact CE3-CG2 3.45Å; W230-V263 HydrophobicContact CG-CG2 3.9Å; W230-V263 HydrophobicContact CH2-CG2 4.3Å; W230-V263 HydrophobicContact CZ2-CG2 4.34Å; W230-V263 HydrophobicContact CZ3-CG2 3.88Å; V256-V263 HydrophobicContact CG1-CG1 3.38Å; E257-V263 WeakPolarHBondContact O-CA 3Å; I258-V263 HydrophobicContact CG2-CG2 4.13Å |
| 264 | R | 97 | Very high | 92.8 | Very high | 146 Ų | 146 | 57 Ų | 57 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 129 | 179.5 | 179.3 | 174.8 | 64.3 | 160.6 | 2.4 | 111.1 | E257 L266 | E257-R264 PolarHBondContact N-O 2.61Å; E257-R264 PolarHBondContact O-N 3.44Å; E257-R264 IonicContact OE1-CZ 2.74Å; E257-R264 IonicContact OE1-NE 3.61Å; E257-R264 PolarHBondContact OE1-NE 3.33Å; E257-R264 IonicContact OE1-NH2 3.72Å; E257-R264 PolarHBondContact OE1-NH2 3.03Å; E257-R264 IonicContact OE2-NH2 2.97Å; R264-L266 HydrophobicContact CG-CD2 4.24Å; R264-L266 PolarHBondContact O-N 2.83Å |
| 265 | T | 96.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 123 | 166.4 | -50.6 | 0 | 0 | 0 | 0 | 109.5 | E254 | E254-T265 HydrophobicContact CG-CG2 3.62Å; E254-T265 WeakPolarHBondContact OE1-CB 3.36Å; E254-T265 WeakPolarHBondContact OE1-CG2 3.34Å; E254-T265 PolarHBondContact OE1-OG1 2.92Å |
| 266 | L | 95.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -40.4 | 177 | -62.4 | -172.4 | 0 | 0 | 0 | 112 | V170 Y195 I255 E257 R264 | V170-L266 HydrophobicContact CG2-CB 4.4Å; V170-L266 HydrophobicContact CG2-CD1 3.48Å; V170-L266 VanDerWaalsContact CG2-CD1 3.48Å; Y195-L266 HydrophobicContact CD1-CD1 4.18Å; Y195-L266 HydrophobicContact CE1-CD1 3.73Å; I255-L266 HydrophobicContact CG2-CB 4.47Å; I255-L266 PolarHBondContact O-N 3.14Å; E257-L266 HydrophobicContact CB-CD1 3.68Å; E257-L266 HydrophobicContact CB-CD2 4.07Å; E257-L266 HydrophobicContact CB-CG 3.75Å; E257-L266 HydrophobicContact CG-CD1 4.42Å; R264-L266 HydrophobicContact CG-CD2 4.24Å; R264-L266 PolarHBondContact O-N 2.83Å |
| 267 | D | 94 | Very high | 91.6 | Very high | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 171 | 176.5 | -142.3 | -46 | 0 | 0 | 0 | 112.1 | K174 I255 | K174-D267 VanDerWaalsContact CE-CG 3.43Å; K174-D267 WeakPolarHBondContact CE-OD2 3.29Å; K174-D267 IonicContact NZ-OD2 3.27Å; K174-D267 PolarHBondContact NZ-OD2 2.94Å; I255-D267 HydrophobicContact CD1-CB 4.35Å; I255-D267 PolarHBondContact N-O 2.88Å |
| 268 | T | 93.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 114.1 | 172.5 | -53.7 | 0 | 0 | 0 | 0 | 109.4 | G253 | G253-T268 CarbonylContact O-C 3.52Å; G253-T268 WeakPolarHBondContact O-CA 3.42Å |
| 269 | I | 92.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 123 | -178.9 | -52.6 | -57.5 | 0 | 0 | 0 | 109.7 | K174 M177 P200 G253 I255 | K174-I269 HydrophobicContact CB-CD1 4.29Å; K174-I269 HydrophobicContact CD-CD1 4.27Å; K174-I269 HydrophobicContact CG-CD1 3.63Å; K174-I269 HydrophobicContact CG-CG1 4.48Å; M177-I269 HydrophobicContact CB-CG1 4.41Å; M177-I269 HydrophobicContact CE-CB 3.99Å; M177-I269 HydrophobicContact CE-CG1 3.86Å; M177-I269 HydrophobicContact SD-CB 4.48Å; M177-I269 HydrophobicContact SD-CG1 3.74Å; P200-I269 HydrophobicContact CG-CG2 4.34Å; G253-I269 PolarHBondContact O-N 3.4Å; I255-I269 HydrophobicContact CD1-CG1 4.45Å |
| 270 | P | 89.1 | Confident | 91.4 | Very high | 107 Ų | 107 | 61.4 Ų | 61.4 | 70% | 0.695 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 154.5 | 179.7 | 30.7 | -35.2 | 0 | 0 | 0 | 111 | ||
| 271 | R | 89 | Confident | 91.4 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 172.5 | 165.5 | -66.7 | 171.9 | -68.9 | -80.2 | 3.9 | 110.3 | P200 Y201 D275 E498 | P200-R271 VanDerWaalsContact C-CG 3.49Å; P200-R271 HydrophobicContact CB-CG 3.98Å; P200-R271 VanDerWaalsContact O-CD 3.22Å; P200-R271 WeakPolarHBondContact O-CD 3.32Å; P200-R271 WeakPolarHBondContact O-CG 3.46Å; P200-R271 PolarHBondContact O-NH1 2.75Å; Y201-R271 HydrophobicContact CD1-CG 4.43Å; Y201-R271 HydrophobicContact CG-CG 4.44Å; R271-D275 HydrophobicContact CB-CB 4.44Å; R271-D275 PolarHBondContact NE-O 3.03Å; R271-E498 IonicContact CZ-OE1 3.22Å; R271-E498 IonicContact NH1-OE1 3.62Å; R271-E498 IonicContact NH2-OE1 3.48Å; R271-E498 PolarHBondContact NH2-OE1 3.46Å |
| 272 | S | 84 | Confident | 91.5 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 53% | 0.531 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -55.2 | 143.4 | 165.2 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | G274 D275 | S272-G274 PolarHBondContact O-N 2.79Å; S272-D275 WeakPolarHBondContact CB-OD2 3.46Å; S272-D275 WeakPolarHBondContact O-CB 3.37Å; S272-D275 PolarHBondContact O-N 3.33Å; S272-D275 VanDerWaalsContact O-N 3.16Å |
| 273 | E | 77.2 | Confident | 91.6 | Very high | 154 Ų | 154 | 50 Ų | 50 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 124.8 | -172.2 | -166 | -179.2 | 172.8 | 0 | 0 | 111.5 | ||
| 274 | G | 76.3 | Confident | 91.6 | Very high | 59 Ų | 59 | 48 Ų | 48 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -10.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S272 | S272-G274 PolarHBondContact O-N 2.79Š|
| 275 | D | 86.2 | Confident | 91.4 | Very high | 59 Ų | 59 | 41.5 Ų | 41.5 | 32% | 0.316 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 133.2 | -179.8 | -77.3 | -5 | 0 | 0 | 0 | 112.1 | Y201 R271 S272 | Y201-D275 HydrophobicContact CE1-CB 3.92Å; Y201-D275 PolarHBondContact OH-OD2 3.38Å; R271-D275 HydrophobicContact CB-CB 4.44Å; R271-D275 PolarHBondContact NE-O 3.03Å; S272-D275 WeakPolarHBondContact CB-OD2 3.46Å; S272-D275 WeakPolarHBondContact O-CB 3.37Å; S272-D275 PolarHBondContact O-N 3.33Å; S272-D275 VanDerWaalsContact O-N 3.16Å |
| 276 | P | 89.8 | Confident | 91.1 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 164.7 | 173.8 | 33.5 | -35.6 | 0 | 0 | 0 | 110.9 | K499 | P276-K499 HydrophobicContact CB-CB 4Å; P276-K499 WeakPolarHBondContact CB-O 3.13Å |
| 277 | V | 92.4 | Very high | 90.8 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 149.5 | 162.5 | -65.2 | 0 | 0 | 0 | 0 | 109.5 | P252 G501 | P252-V277 HydrophobicContact CB-CG1 4.35Å; P252-V277 HydrophobicContact CG-CG1 3.87Å; V277-G501 WeakPolarHBondContact CG2-O 3.36Å; V277-G501 CarbonylContact O-C 3.57Å; V277-G501 WeakPolarHBondContact O-CA 3.14Å; V277-G501 VanDerWaalsContact O-O 3.04Å |
| 278 | A | 94.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | trans | -132.2 | 53.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y201 N203 C503 P512 | Y201-A278 HydrophobicContact CD1-CB 4.05Å; Y201-A278 PolarHBondContact O-N 3.1Å; N203-A278 WeakPolarHBondContact CA-O 3.36Å; N203-A278 PolarHBondContact ND2-O 2.83Å; A278-C503 HydrophobicContact CB-CB 4.07Å; A278-C503 VanDerWaalsContact O-CB 3.3Å; A278-C503 WeakPolarHBondContact O-CB 3.4Å; A278-P512 HydrophobicContact CB-CB 3.7Å; A278-P512 HydrophobicContact CB-CG 4.1Å | ||
| 279 | F | 95.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 137.7 | 174 | -176 | -122.1 | 0 | 0 | 0 | 110.6 | R198 G202 N203 P205 I281 E283 Y284 F294 H502 C503 | R198-F279 VanDerWaalsContact NH2-CE2 3.29Å; G202-F279 WeakPolarHBondContact O-CD2 3.37Å; N203-F279 WeakPolarHBondContact O-CD2 3.4Å; P205-F279 HydrophobicContact CB-CE2 3.92Å; P205-F279 HydrophobicContact CB-CZ 4.21Å; F279-I281 PolarHBondContact O-N 2.85Å; F279-I281 VanDerWaalsContact O-N 3.12Å; F279-E283 HydrophobicContact CE1-CB 4.14Å; F279-E283 HydrophobicContact CE2-CG 4.44Å; F279-E283 HydrophobicContact CZ-CB 3.92Å; F279-E283 HydrophobicContact CZ-CG 4.04Å; F279-Y284 HydrophobicContact CD1-CD2 4.4Å; F279-Y284 AromaticContact CD1-CE2 3.85Å; F279-Y284 HydrophobicContact CD1-CE2 3.85Å; F279-Y284 HydrophobicContact CE1-CD2 4.12Å; F279-Y284 AromaticContact CE1-CE2 3.63Å; F279-Y284 HydrophobicContact CE1-CE2 3.63Å; F279-F294 HydrophobicContact CE1-CB 3.97Å; F279-F294 AromaticContact CE1-CD2 3.97Å; F279-F294 HydrophobicContact CE1-CD2 3.97Å; F279-F294 HydrophobicContact CE1-CG 4.09Å; F279-F294 HydrophobicContact CZ-CB 4.03Å; F279-F294 HydrophobicContact CZ-CD1 4.19Å; F279-F294 AromaticContact CZ-CD2 3.74Å; F279-F294 HydrophobicContact CZ-CD2 3.74Å; F279-F294 HydrophobicContact CZ-CE2 4.13Å; F279-F294 AromaticContact CZ-CG 3.75Å; F279-F294 HydrophobicContact CZ-CG 3.75Å; F279-H502 CarbonylContact O-C 3.6Å; F279-H502 WeakPolarHBondContact O-CA 3.2Å; F279-C503 PolarHBondContact O-N 3.35Å |
| 280 | C | 96.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 114.1 | -173.9 | -171 | 0 | 0 | 0 | 0 | 111.5 | N203 R204 F282 E283 I430 | N203-C280 WeakPolarHBondContact O-CB 3.09Å; N203-C280 PolarHBondContact O-N 2.82Å; R204-C280 PolarHBondContact NH2-SG 3.34Å; R204-C280 VanDerWaalsContact NH2-SG 3.4Å; C280-F282 PolarHBondContact O-N 3.26Å; C280-F282 VanDerWaalsContact O-N 3.15Å; C280-E283 HydrophobicContact CB-CG 4.04Å; C280-E283 WeakPolarHBondContact O-CB 3.38Å; C280-E283 PolarHBondContact O-N 3.14Å; C280-I430 WeakPolarHBondContact SG-CD1 3.42Å |
| 281 | I | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -23.4 | -178.2 | -153.3 | 163.6 | 0 | 0 | 0 | 112.9 | F279 E283 Y284 V285 L465 V466 V469 H502 C503 T504 L507 | F279-I281 PolarHBondContact O-N 2.85Å; F279-I281 VanDerWaalsContact O-N 3.12Å; I281-E283 PolarHBondContact O-N 2.79Å; I281-Y284 PolarHBondContact O-N 3.07Å; I281-Y284 VanDerWaalsContact O-N 3.17Å; I281-V285 PolarHBondContact O-N 3.18Å; I281-L465 HydrophobicContact CD1-CD2 3.74Å; I281-L465 HydrophobicContact CD1-CG 3.71Å; I281-L465 HydrophobicContact CG1-CD2 4.04Å; I281-L465 HydrophobicContact CG1-CG 4.19Å; I281-L465 HydrophobicContact CG2-CD2 4.41Å; I281-V466 HydrophobicContact CD1-CG2 3.86Å; I281-V469 HydrophobicContact CD1-CG2 4.47Å; I281-V469 HydrophobicContact CG1-CG2 4.24Å; I281-H502 HydrophobicContact CB-CB 4.16Å; I281-H502 HydrophobicContact CD1-CB 4.07Å; I281-H502 HydrophobicContact CG1-CB 4.26Å; I281-C503 VanDerWaalsContact CG2-O 3.28Å; I281-C503 WeakPolarHBondContact CG2-O 3.38Å; I281-C503 PolarHBondContact N-O 3.04Å; I281-T504 HydrophobicContact CD1-CG2 3.86Å; I281-T504 HydrophobicContact CG2-CG2 4.36Å; I281-L507 HydrophobicContact CG2-CD1 4.25Å |
| 282 | F | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71 | -18.4 | 180 | -90.1 | -85.9 | 0 | 0 | 0 | 114 | I8 C280 Y284 V285 Y286 F287 I422 I430 C506 L507 | I8-F282 HydrophobicContact CD1-CD1 3.72Å; I8-F282 HydrophobicContact CD1-CE1 3.29Å; I8-F282 HydrophobicContact CD1-CZ 4.29Å; C280-F282 PolarHBondContact O-N 3.26Å; C280-F282 VanDerWaalsContact O-N 3.15Å; F282-Y284 VanDerWaalsContact C-N 3.28Å; F282-Y284 PolarHBondContact O-N 3.4Å; F282-V285 HydrophobicContact CD1-CB 4.12Å; F282-V285 HydrophobicContact CD1-CG1 4.23Å; F282-V285 HydrophobicContact CE1-CB 4.47Å; F282-V285 HydrophobicContact CE1-CG1 4.2Å; F282-V285 PolarHBondContact O-N 2.77Å; F282-Y286 PolarHBondContact O-N 2.76Å; F282-F287 HydrophobicContact CB-CD2 3.8Å; F282-F287 HydrophobicContact CB-CE2 3.76Å; F282-F287 HydrophobicContact CD1-CE2 4.33Å; F282-F287 HydrophobicContact CG-CE2 4.38Å; F282-F287 WeakPolarHBondContact O-CD2 3.43Å; F282-F287 PolarHBondContact O-N 3.16Å; F282-I422 HydrophobicContact CE1-CD1 3.95Å; F282-I422 HydrophobicContact CE1-CG1 4.37Å; F282-I422 HydrophobicContact CZ-CD1 3.95Å; F282-I422 HydrophobicContact CZ-CG1 3.89Å; F282-I430 HydrophobicContact CB-CD1 3.71Å; F282-I430 HydrophobicContact CG-CD1 4.34Å; F282-C506 HydrophobicContact CD2-CB 4.42Å; F282-C506 HydrophobicContact CE2-CB 3.77Å; F282-C506 HydrophobicContact CZ-CB 4.46Å; F282-L507 HydrophobicContact CE2-CD1 4.5Å; F282-L507 HydrophobicContact CE2-CD2 3.79Å; F282-L507 HydrophobicContact CE2-CG 4.06Å; F282-L507 HydrophobicContact CZ-CD2 3.71Å; F282-L507 HydrophobicContact CZ-CG 4.47Å |
| 283 | E | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -58.9 | -44.2 | 168.9 | -72.7 | -76.2 | -156.7 | 0 | 0 | 110.6 | E10 R43 P205 F279 C280 I281 A288 F294 | E10-E283 VanDerWaalsContact OE2-CD 3.28Å; R43-E283 IonicContact CZ-OE1 2.92Å; R43-E283 IonicContact CZ-OE2 3.88Å; R43-E283 IonicContact NH1-OE1 2.89Å; R43-E283 PolarHBondContact NH1-OE1 2.99Å; R43-E283 IonicContact NH1-OE2 3.52Å; R43-E283 VanDerWaalsContact NH2-CD 3.29Å; R43-E283 IonicContact NH2-OE1 3.38Å; R43-E283 PolarHBondContact NH2-OE1 3.47Å; R43-E283 IonicContact NH2-OE2 3.77Å; R43-E283 PolarHBondContact NH2-OE2 2.8Å; P205-E283 WeakPolarHBondContact CD-OE1 3.41Å; P205-E283 WeakPolarHBondContact CG-OE1 3.48Å; F279-E283 HydrophobicContact CE1-CB 4.14Å; F279-E283 HydrophobicContact CE2-CG 4.44Å; F279-E283 HydrophobicContact CZ-CB 3.92Å; F279-E283 HydrophobicContact CZ-CG 4.04Å; C280-E283 HydrophobicContact CB-CG 4.04Å; C280-E283 WeakPolarHBondContact O-CB 3.38Å; C280-E283 PolarHBondContact O-N 3.14Å; I281-E283 PolarHBondContact O-N 2.79Å; E283-A288 WeakPolarHBondContact O-CB 3.3Å; E283-A288 PolarHBondContact O-N 3.43Å; E283-A288 WeakPolarHBondContact OE2-CB 3.43Å; E283-F294 HydrophobicContact CB-CD2 4.39Å; E283-F294 HydrophobicContact CB-CE2 3.89Å |
| 284 | Y | 96.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -72 | -38.1 | 173.9 | -72.3 | -64.2 | 0 | 0 | 0 | 113.2 | F279 I281 F282 F294 E295 Q297 V299 V302 R303 V469 H502 | F279-Y284 HydrophobicContact CD1-CD2 4.4Å; F279-Y284 AromaticContact CD1-CE2 3.85Å; F279-Y284 HydrophobicContact CD1-CE2 3.85Å; F279-Y284 HydrophobicContact CE1-CD2 4.12Å; F279-Y284 AromaticContact CE1-CE2 3.63Å; F279-Y284 HydrophobicContact CE1-CE2 3.63Å; I281-Y284 PolarHBondContact O-N 3.07Å; I281-Y284 VanDerWaalsContact O-N 3.17Å; F282-Y284 VanDerWaalsContact C-N 3.28Å; F282-Y284 PolarHBondContact O-N 3.4Å; Y284-F294 HydrophobicContact CE1-CB 4.17Å; Y284-F294 HydrophobicContact CE1-CD2 4.2Å; Y284-F294 VanDerWaalsContact OH-C 3.32Å; Y284-F294 WeakPolarHBondContact OH-CB 3.23Å; Y284-F294 PolarHBondContact OH-O 2.86Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.44Å; Y284-E295 PolarHBondContact OH-OE2 2.97Å; Y284-Q297 HydrophobicContact CE1-CG 4.18Å; Y284-Q297 WeakPolarHBondContact OH-CG 3.31Å; Y284-Q297 PolarHBondContact OH-NE2 3.08Å; Y284-V299 HydrophobicContact CD1-CG2 4.1Å; Y284-V299 HydrophobicContact CE1-CG2 4.22Å; Y284-V302 HydrophobicContact CD1-CB 3.82Å; Y284-V302 HydrophobicContact CD1-CG1 3.76Å; Y284-V302 HydrophobicContact CD1-CG2 3.84Å; Y284-V302 HydrophobicContact CE1-CB 4.23Å; Y284-V302 HydrophobicContact CE1-CG1 4.4Å; Y284-V302 HydrophobicContact CE1-CG2 3.72Å; Y284-V302 HydrophobicContact CG-CG1 3.98Å; Y284-R303 VanDerWaalsContact O-CG 3.23Å; Y284-R303 WeakPolarHBondContact O-CG 3.48Å; Y284-R303 PolarHBondContact O-NE 3.32Å; Y284-V469 HydrophobicContact CD2-CG1 3.48Å; Y284-V469 VanDerWaalsContact CD2-CG1 3.48Å; Y284-V469 HydrophobicContact CD2-CG2 4.21Å; Y284-V469 HydrophobicContact CE2-CG1 3.48Å; Y284-V469 VanDerWaalsContact CE2-CG1 3.48Å; Y284-V469 HydrophobicContact CG-CG1 4.24Å; Y284-V469 HydrophobicContact CG-CG2 4.36Å; Y284-H502 AromaticContact CE2-NE2 3.98Å |
| 285 | V | 93.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -65.5 | -50.7 | -176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | I281 F282 R303 L465 | I281-V285 PolarHBondContact O-N 3.18Å; F282-V285 HydrophobicContact CD1-CB 4.12Å; F282-V285 HydrophobicContact CD1-CG1 4.23Å; F282-V285 HydrophobicContact CE1-CB 4.47Å; F282-V285 HydrophobicContact CE1-CG1 4.2Å; F282-V285 PolarHBondContact O-N 2.77Å; V285-R303 PolarHBondContact O-NE 3.09Å; V285-L465 HydrophobicContact CG2-CD1 4.02Å; V285-L465 HydrophobicContact CG2-CD2 3.81Å |
| 286 | Y | 89.8 | Confident | 94.2 | Very high | 87 Ų | 87 | 26 Ų | 26 | 34% | 0.341 | 13% | 0.132 | S | C | . | . | I | π-helix | trans | -141.6 | -45 | -166.6 | 176.8 | -111 | 0 | 0 | 0 | 114.4 | I8 F282 R303 D390 | I8-Y286 WeakPolarHBondContact O-CE1 3.46Å; F282-Y286 PolarHBondContact O-N 2.76Å; Y286-R303 PolarHBondContact O-NH2 3.13Å; Y286-D390 HydrophobicContact CD2-CB 4.29Å; Y286-D390 WeakPolarHBondContact CD2-OD1 3.32Å; Y286-D390 VanDerWaalsContact CD2-OD2 3.3Å; Y286-D390 WeakPolarHBondContact CD2-OD2 3.32Å |
| 287 | F | 88.6 | Confident | 94.4 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -75.2 | -50.3 | -158.8 | -69.8 | -60.1 | 0 | 0 | 0 | 115.6 | I8 R9 E10 H42 F282 I430 | I8-F287 HydrophobicContact CB-CE1 4.32Å; I8-F287 HydrophobicContact CB-CZ 3.71Å; I8-F287 HydrophobicContact CG2-CE1 4.38Å; I8-F287 HydrophobicContact CG2-CE2 3.93Å; I8-F287 HydrophobicContact CG2-CZ 3.36Å; I8-F287 WeakPolarHBondContact O-CE1 3.24Å; R9-F287 VanDerWaalsContact C-CZ 3.48Å; R9-F287 VanDerWaalsContact CA-CE1 3.46Å; E10-F287 HydrophobicContact CB-CB 4.03Å; E10-F287 HydrophobicContact CB-CD1 3.21Å; E10-F287 HydrophobicContact CB-CD2 3.75Å; E10-F287 HydrophobicContact CB-CE1 3.46Å; E10-F287 VanDerWaalsContact CB-CE1 3.46Å; E10-F287 HydrophobicContact CB-CE2 3.93Å; E10-F287 HydrophobicContact CB-CG 3.37Å; E10-F287 HydrophobicContact CB-CZ 3.77Å; E10-F287 HydrophobicContact CG-CD1 4.47Å; E10-F287 HydrophobicContact CG-CD2 4.46Å; E10-F287 HydrophobicContact CG-CG 4.26Å; E10-F287 WeakPolarHBondContact OE2-CB 3.32Å; E10-F287 WeakPolarHBondContact OE2-CG 3.48Å; H42-F287 PolarHBondContact CD2-O 3.08Å; H42-F287 VanDerWaalsContact CD2-O 3.31Å; F282-F287 HydrophobicContact CB-CD2 3.8Å; F282-F287 HydrophobicContact CB-CE2 3.76Å; F282-F287 HydrophobicContact CD1-CE2 4.33Å; F282-F287 HydrophobicContact CG-CE2 4.38Å; F282-F287 WeakPolarHBondContact O-CD2 3.43Å; F282-F287 PolarHBondContact O-N 3.16Å; F287-I430 HydrophobicContact CD2-CD1 4.21Å; F287-I430 HydrophobicContact CD2-CG1 4.47Å; F287-I430 HydrophobicContact CE2-CB 4.36Å; F287-I430 HydrophobicContact CE2-CD1 3.65Å; F287-I430 HydrophobicContact CE2-CG1 3.81Å; F287-I430 HydrophobicContact CE2-CG2 3.57Å; F287-I430 HydrophobicContact CZ-CG1 4.38Å; F287-I430 HydrophobicContact CZ-CG2 3.46Å; F287-I430 VanDerWaalsContact CZ-CG2 3.46Å |
| 288 | A | 93.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -65.2 | 152.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | E235 E283 F294 V299 R303 | E235-A288 WeakPolarHBondContact OE2-CA 3.19Å; E235-A288 VanDerWaalsContact OE2-CB 3.32Å; E235-A288 WeakPolarHBondContact OE2-CB 3.23Å; E283-A288 WeakPolarHBondContact O-CB 3.3Å; E283-A288 PolarHBondContact O-N 3.43Å; E283-A288 WeakPolarHBondContact OE2-CB 3.43Å; A288-F294 HydrophobicContact CB-CD2 4.45Å; A288-F294 HydrophobicContact CB-CE2 3.31Å; A288-F294 HydrophobicContact CB-CZ 3.69Å; A288-V299 HydrophobicContact CB-CG1 4.43Å; A288-V299 HydrophobicContact CB-CG2 3.95Å; A288-R303 PolarHBondContact O-NH2 3.03Å |
| 289 | R | 94.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 26.6 Ų | 26.6 | 28% | 0.275 | 13% | 0.129 | S | C | . | . | trans | -68.4 | 139.7 | 173.5 | -145 | 168.8 | 74.3 | -165.1 | 7.3 | 108.4 | G39 E235 C237 D291 S292 | G39-R289 PolarHBondContact O-NH1 3.33Å; E235-R289 PolarHBondContact OE2-N 3.41Å; C237-R289 HydrophobicContact CB-CB 4.22Å; C237-R289 PolarHBondContact O-NH2 3.18Å; C237-R289 VanDerWaalsContact SG-CZ 3.5Å; R289-D291 WeakPolarHBondContact CB-OD1 3.25Å; R289-D291 WeakPolarHBondContact CG-OD1 3.41Å; R289-D291 IonicContact CZ-OD1 3.24Å; R289-D291 IonicContact CZ-OD2 3.76Å; R289-D291 IonicContact NE-OD1 3.36Å; R289-D291 PolarHBondContact NE-OD1 3.01Å; R289-D291 IonicContact NE-OD2 2.76Å; R289-D291 PolarHBondContact NE-OD2 3.4Å; R289-D291 IonicContact NH2-OD1 2.86Å; R289-D291 IonicContact NH2-OD2 3.09Å; R289-D291 PolarHBondContact NH2-OD2 2.86Å; R289-D291 PolarHBondContact O-N 2.92Å; R289-S292 VanDerWaalsContact O-CB 3.31Å; R289-S292 WeakPolarHBondContact O-CB 3.07Å; R289-S292 PolarHBondContact O-N 3.17Å | ||
| 290 | P | 94.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 30.6 Ų | 30.6 | 25% | 0.253 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.7 | -175.7 | -27.6 | 35 | 0 | 0 | 0 | 114.9 | S292 M298 Y300 | P290-S292 VanDerWaalsContact C-N 3.32Å; P290-M298 WeakPolarHBondContact O-CG 3.21Å; P290-Y300 HydrophobicContact CB-CD2 4.06Å; P290-Y300 VanDerWaalsContact O-CB 3.26Å; P290-Y300 WeakPolarHBondContact O-CB 3.32Å; P290-Y300 PolarHBondContact O-N 2.71Å |
| 291 | D | 95.4 | Very high | 94.8 | Very high | 67 Ų | 67 | 33 Ų | 33 | 36% | 0.358 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 6.2 | 177.9 | 62.2 | -34.4 | 0 | 0 | 0 | 114.1 | R289 | R289-D291 WeakPolarHBondContact CB-OD1 3.25Å; R289-D291 WeakPolarHBondContact CG-OD1 3.41Å; R289-D291 IonicContact CZ-OD1 3.24Å; R289-D291 IonicContact CZ-OD2 3.76Å; R289-D291 IonicContact NE-OD1 3.36Å; R289-D291 PolarHBondContact NE-OD1 3.01Å; R289-D291 IonicContact NE-OD2 2.76Å; R289-D291 PolarHBondContact NE-OD2 3.4Å; R289-D291 IonicContact NH2-OD1 2.86Å; R289-D291 IonicContact NH2-OD2 3.09Å; R289-D291 PolarHBondContact NH2-OD2 2.86Å; R289-D291 PolarHBondContact O-N 2.92Å |
| 292 | S | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -77 | 152.6 | 169.3 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | E235 C237 R289 P290 M298 V299 | E235-S292 WeakPolarHBondContact CB-OG 3.49Å; E235-S292 VanDerWaalsContact CD-OG 3.3Å; E235-S292 WeakPolarHBondContact CG-OG 3.49Å; E235-S292 VanDerWaalsContact OE2-CB 3.26Å; E235-S292 WeakPolarHBondContact OE2-CB 3.43Å; E235-S292 PolarHBondContact OE2-OG 2.99Å; C237-S292 WeakPolarHBondContact CB-OG 3Å; C237-S292 PolarHBondContact SG-OG 2.95Å; R289-S292 VanDerWaalsContact O-CB 3.31Å; R289-S292 WeakPolarHBondContact O-CB 3.07Å; R289-S292 PolarHBondContact O-N 3.17Å; P290-S292 VanDerWaalsContact C-N 3.32Å; S292-M298 WeakPolarHBondContact O-CA 3.3Å; S292-V299 PolarHBondContact O-N 2.93Å | ||
| 293 | I | 96.1 | Very high | 95 | Very high | 48 Ų | 48 | 33.4 Ų | 33.4 | 25% | 0.246 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 122.3 | 178.3 | -56.4 | 173.2 | 0 | 0 | 0 | 108.6 | S236 Q297 | S236-I293 PolarHBondContact OG-N 2.95Å; I293-Q297 WeakPolarHBondContact CA-O 3.48Å |
| 294 | F | 95.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 143 | 170.9 | -57.4 | -44.2 | 0 | 0 | 0 | 108.9 | P205 E235 F279 E283 Y284 A288 D296 Q297 V299 | P205-F294 HydrophobicContact CB-CD1 3.98Å; P205-F294 HydrophobicContact CB-CE1 3.39Å; P205-F294 HydrophobicContact CB-CZ 3.85Å; P205-F294 HydrophobicContact CG-CE1 4.04Å; P205-F294 HydrophobicContact CG-CZ 4.03Å; E235-F294 HydrophobicContact CG-CE1 3.92Å; E235-F294 HydrophobicContact CG-CZ 3.63Å; F279-F294 HydrophobicContact CE1-CB 3.97Å; F279-F294 AromaticContact CE1-CD2 3.97Å; F279-F294 HydrophobicContact CE1-CD2 3.97Å; F279-F294 HydrophobicContact CE1-CG 4.09Å; F279-F294 HydrophobicContact CZ-CB 4.03Å; F279-F294 HydrophobicContact CZ-CD1 4.19Å; F279-F294 AromaticContact CZ-CD2 3.74Å; F279-F294 HydrophobicContact CZ-CD2 3.74Å; F279-F294 HydrophobicContact CZ-CE2 4.13Å; F279-F294 AromaticContact CZ-CG 3.75Å; F279-F294 HydrophobicContact CZ-CG 3.75Å; E283-F294 HydrophobicContact CB-CD2 4.39Å; E283-F294 HydrophobicContact CB-CE2 3.89Å; Y284-F294 HydrophobicContact CE1-CB 4.17Å; Y284-F294 HydrophobicContact CE1-CD2 4.2Å; Y284-F294 VanDerWaalsContact OH-C 3.32Å; Y284-F294 WeakPolarHBondContact OH-CB 3.23Å; Y284-F294 PolarHBondContact OH-O 2.86Å; A288-F294 HydrophobicContact CB-CD2 4.45Å; A288-F294 HydrophobicContact CB-CE2 3.31Å; A288-F294 HydrophobicContact CB-CZ 3.69Å; F294-D296 PolarHBondContact O-N 2.95Å; F294-Q297 PolarHBondContact N-O 3.12Å; F294-Q297 WeakPolarHBondContact O-CG 3.46Å; F294-Q297 PolarHBondContact O-N 3.37Å; F294-V299 HydrophobicContact CD2-CG2 3.68Å; F294-V299 HydrophobicContact CE2-CG2 3.83Å |
| 295 | E | 93.7 | Very high | 95.2 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.9 | -179.2 | -55.9 | -179.5 | 111.2 | 0 | 0 | 112.4 | E249 Y284 Q297 I473 H502 | E249-E295 VanDerWaalsContact OE2-CA 3.31Å; E249-E295 WeakPolarHBondContact OE2-CA 3.08Å; E249-E295 PolarHBondContact OE2-N 2.79Å; Y284-E295 WeakPolarHBondContact CE2-OE2 3.44Å; Y284-E295 PolarHBondContact OH-OE2 2.97Å; E295-Q297 PolarHBondContact O-N 2.66Å; E295-I473 HydrophobicContact CB-CD1 4.25Å; E295-I473 HydrophobicContact CB-CG1 4.33Å; E295-I473 HydrophobicContact CB-CG2 4.47Å; E295-I473 WeakPolarHBondContact OE2-CD1 3.28Å; E295-H502 IonicContact OE1-NE2 3.6Å; E295-H502 IonicContact OE2-CE1 3.83Å; E295-H502 IonicContact OE2-NE2 3.72Å; E295-H502 PolarHBondContact OE2-NE2 3.36Å |
| 296 | D | 92.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 18.1 | -176 | -65.1 | -45.9 | 0 | 0 | 0 | 115 | F294 K476 | F294-D296 PolarHBondContact O-N 2.95Å; D296-K476 IonicContact OD1-NZ 2.68Å; D296-K476 WeakPolarHBondContact OD2-CE 3.44Å; D296-K476 IonicContact OD2-NZ 3.52Å; D296-K476 PolarHBondContact OD2-NZ 3.1Å |
| 297 | Q | 94.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.1 | 178 | 56.3 | 179.2 | -13.9 | 0 | 0 | 113.1 | Y284 I293 F294 E295 V302 V469 I473 | Y284-Q297 HydrophobicContact CE1-CG 4.18Å; Y284-Q297 WeakPolarHBondContact OH-CG 3.31Å; Y284-Q297 PolarHBondContact OH-NE2 3.08Å; I293-Q297 WeakPolarHBondContact CA-O 3.48Å; F294-Q297 PolarHBondContact N-O 3.12Å; F294-Q297 WeakPolarHBondContact O-CG 3.46Å; F294-Q297 PolarHBondContact O-N 3.37Å; E295-Q297 PolarHBondContact O-N 2.66Å; Q297-V302 HydrophobicContact CB-CG2 4.39Å; Q297-V302 HydrophobicContact CG-CG2 3.92Å; Q297-V469 PolarHBondContact NE2-O 3.49Å; Q297-V469 PolarHBondContact OE1-O 3.15Å; Q297-I473 VanDerWaalsContact NE2-CG1 3.33Å |
| 298 | M | 96.2 | Very high | 96.3 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 39% | 0.394 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 133.9 | 176.7 | -175.6 | 176.8 | -75.1 | 0 | 0 | 110.8 | P290 S292 Y300 T301 V302 | P290-M298 WeakPolarHBondContact O-CG 3.21Å; S292-M298 WeakPolarHBondContact O-CA 3.3Å; M298-Y300 VanDerWaalsContact C-N 3.26Å; M298-Y300 PolarHBondContact O-N 2.88Å; M298-T301 PolarHBondContact O-N 3.01Å; M298-T301 VanDerWaalsContact O-N 3.07Å; M298-V302 PolarHBondContact O-N 2.9Å |
| 299 | V | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.5 | -40 | 179.8 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | Y284 A288 S292 F294 T301 V302 R303 | Y284-V299 HydrophobicContact CD1-CG2 4.1Å; Y284-V299 HydrophobicContact CE1-CG2 4.22Å; A288-V299 HydrophobicContact CB-CG1 4.43Å; A288-V299 HydrophobicContact CB-CG2 3.95Å; S292-V299 PolarHBondContact O-N 2.93Å; F294-V299 HydrophobicContact CD2-CG2 3.68Å; F294-V299 HydrophobicContact CE2-CG2 3.83Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 2.92Å; V299-V302 PolarHBondContact O-N 3.1Å; V299-R303 HydrophobicContact CG1-CG 4.43Å; V299-R303 WeakPolarHBondContact O-CG 3.45Å; V299-R303 PolarHBondContact O-N 3.43Å |
| 300 | Y | 97.7 | Very high | 96.8 | Very high | 88 Ų | 88 | 33.7 Ų | 33.7 | 35% | 0.345 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -53.8 | -49.4 | 175.3 | -177.7 | -83.1 | 0 | 0 | 0 | 111.9 | P290 M298 V302 R303 Y304 P330 L333 | P290-Y300 HydrophobicContact CB-CD2 4.06Å; P290-Y300 VanDerWaalsContact O-CB 3.26Å; P290-Y300 WeakPolarHBondContact O-CB 3.32Å; P290-Y300 PolarHBondContact O-N 2.71Å; M298-Y300 VanDerWaalsContact C-N 3.26Å; M298-Y300 PolarHBondContact O-N 2.88Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.09Å; Y300-R303 PolarHBondContact O-N 2.91Å; Y300-Y304 WeakPolarHBondContact O-CB 3.36Å; Y300-Y304 PolarHBondContact O-N 2.74Å; Y300-P330 HydrophobicContact CD1-CB 4.49Å; Y300-P330 HydrophobicContact CD2-CB 3.82Å; Y300-P330 HydrophobicContact CD2-CG 3.49Å; Y300-P330 VanDerWaalsContact CD2-CG 3.49Å; Y300-P330 HydrophobicContact CE1-CB 4.43Å; Y300-P330 HydrophobicContact CE2-CB 3.76Å; Y300-P330 HydrophobicContact CE2-CG 3.62Å; Y300-P330 HydrophobicContact CG-CB 4.18Å; Y300-P330 HydrophobicContact CG-CG 4.23Å; Y300-L333 VanDerWaalsContact OH-CD1 3.22Å; Y300-L333 WeakPolarHBondContact OH-CD1 3.45Å |
| 301 | T | 97.2 | Very high | 97 | Very high | 53 Ų | 53 | 32 Ų | 32 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | -178 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | M298 V299 Y304 R305 | M298-T301 PolarHBondContact O-N 3.01Å; M298-T301 VanDerWaalsContact O-N 3.07Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 2.92Å; T301-Y304 WeakPolarHBondContact O-CB 3.01Å; T301-Y304 PolarHBondContact O-N 2.68Å; T301-R305 WeakPolarHBondContact O-CG 3.3Å; T301-R305 PolarHBondContact O-N 3.44Å |
| 302 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 176 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | Y284 Q297 M298 V299 Y300 Y304 R305 C306 V469 | Y284-V302 HydrophobicContact CD1-CB 3.82Å; Y284-V302 HydrophobicContact CD1-CG1 3.76Å; Y284-V302 HydrophobicContact CD1-CG2 3.84Å; Y284-V302 HydrophobicContact CE1-CB 4.23Å; Y284-V302 HydrophobicContact CE1-CG1 4.4Å; Y284-V302 HydrophobicContact CE1-CG2 3.72Å; Y284-V302 HydrophobicContact CG-CG1 3.98Å; Q297-V302 HydrophobicContact CB-CG2 4.39Å; Q297-V302 HydrophobicContact CG-CG2 3.92Å; M298-V302 PolarHBondContact O-N 2.9Å; V299-V302 PolarHBondContact O-N 3.1Å; Y300-V302 VanDerWaalsContact C-N 3.33Å; Y300-V302 PolarHBondContact O-N 3.09Å; V302-Y304 VanDerWaalsContact C-N 3.27Å; V302-Y304 PolarHBondContact O-N 3.04Å; V302-R305 WeakPolarHBondContact O-CB 3.41Å; V302-R305 PolarHBondContact O-N 2.8Å; V302-R305 VanDerWaalsContact O-N 3.09Å; V302-C306 PolarHBondContact O-N 2.98Å; V302-C306 PolarHBondContact O-SG 2.79Å; V302-V469 HydrophobicContact CG1-CB 4.27Å; V302-V469 HydrophobicContact CG1-CG2 3.73Å |
| 303 | R | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 4% | 0.042 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 177.1 | -71.6 | -177.7 | -173.5 | 171 | 11.6 | 112.3 | Y284 V285 Y286 A288 V299 Y300 C306 G307 S327 P330 A331 | Y284-R303 VanDerWaalsContact O-CG 3.23Å; Y284-R303 WeakPolarHBondContact O-CG 3.48Å; Y284-R303 PolarHBondContact O-NE 3.32Å; V285-R303 PolarHBondContact O-NE 3.09Å; Y286-R303 PolarHBondContact O-NH2 3.13Å; A288-R303 PolarHBondContact O-NH2 3.03Å; V299-R303 HydrophobicContact CG1-CG 4.43Å; V299-R303 WeakPolarHBondContact O-CG 3.45Å; V299-R303 PolarHBondContact O-N 3.43Å; Y300-R303 PolarHBondContact O-N 2.91Å; R303-C306 WeakPolarHBondContact O-CB 3.22Å; R303-C306 PolarHBondContact O-N 3.22Å; R303-G307 PolarHBondContact O-N 2.94Å; R303-S327 PolarHBondContact NH1-O 3.02Å; R303-P330 HydrophobicContact CB-CB 3.79Å; R303-P330 HydrophobicContact CB-CG 4.23Å; R303-A331 VanDerWaalsContact O-CA 3.27Å; R303-A331 WeakPolarHBondContact O-CA 3.35Å; R303-A331 WeakPolarHBondContact O-CB 3.32Å |
| 304 | Y | 98.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 34.3 Ų | 34.3 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | 173.4 | -174.1 | -84.9 | 0 | 0 | 0 | 111.7 | Y300 T301 V302 C306 G307 Q308 P330 L333 G334 A337 | Y300-Y304 WeakPolarHBondContact O-CB 3.36Å; Y300-Y304 PolarHBondContact O-N 2.74Å; T301-Y304 WeakPolarHBondContact O-CB 3.01Å; T301-Y304 PolarHBondContact O-N 2.68Å; V302-Y304 VanDerWaalsContact C-N 3.27Å; V302-Y304 PolarHBondContact O-N 3.04Å; Y304-C306 PolarHBondContact O-N 3Å; Y304-G307 WeakPolarHBondContact O-CA 2.99Å; Y304-G307 PolarHBondContact O-N 3.09Å; Y304-G307 VanDerWaalsContact O-N 3.13Å; Y304-Q308 HydrophobicContact CD1-CG 4.19Å; Y304-Q308 HydrophobicContact CE1-CG 3.98Å; Y304-Q308 PolarHBondContact O-N 3.12Å; Y304-P330 WeakPolarHBondContact CA-O 3.47Å; Y304-P330 WeakPolarHBondContact CD2-O 3.46Å; Y304-L333 HydrophobicContact CD2-CB 4.01Å; Y304-L333 VanDerWaalsContact CE2-C 3.49Å; Y304-L333 HydrophobicContact CE2-CB 3.87Å; Y304-G334 VanDerWaalsContact CE2-CA 3.48Å; Y304-G334 VanDerWaalsContact CE2-N 3.35Å; Y304-G334 WeakPolarHBondContact O-CA 3.45Å; Y304-A337 WeakPolarHBondContact OH-CB 3.37Å |
| 305 | R | 98.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 174.6 | -65.2 | -175.4 | -143.3 | 124.8 | 4.9 | 112 | T301 V302 G307 Q308 Q309 S468 E472 | T301-R305 WeakPolarHBondContact O-CG 3.3Å; T301-R305 PolarHBondContact O-N 3.44Å; V302-R305 WeakPolarHBondContact O-CB 3.41Å; V302-R305 PolarHBondContact O-N 2.8Å; V302-R305 VanDerWaalsContact O-N 3.09Å; R305-G307 PolarHBondContact O-N 2.92Å; R305-Q308 WeakPolarHBondContact O-CB 3.3Å; R305-Q308 PolarHBondContact O-N 3.2Å; R305-Q309 PolarHBondContact O-N 2.71Å; R305-S468 PolarHBondContact NH1-O 3.46Å; R305-E472 VanDerWaalsContact CZ-CD 3.45Å; R305-E472 IonicContact CZ-OE1 2.78Å; R305-E472 IonicContact CZ-OE2 3.64Å; R305-E472 IonicContact NE-OE1 3.55Å; R305-E472 PolarHBondContact NE-OE1 3.24Å; R305-E472 IonicContact NE-OE2 3.37Å; R305-E472 IonicContact NH2-OE1 3.06Å; R305-E472 IonicContact NH2-OE2 2.75Å; R305-E472 PolarHBondContact NH2-OE2 3.14Å |
| 306 | C | 98.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -39.7 | 173.8 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | V302 R303 Y304 Q309 L310 L460 | V302-C306 PolarHBondContact O-N 2.98Å; V302-C306 PolarHBondContact O-SG 2.79Å; R303-C306 WeakPolarHBondContact O-CB 3.22Å; R303-C306 PolarHBondContact O-N 3.22Å; Y304-C306 PolarHBondContact O-N 3Å; C306-Q309 PolarHBondContact O-N 3.38Å; C306-L310 VanDerWaalsContact O-CB 3.31Å; C306-L310 WeakPolarHBondContact O-CB 3.46Å; C306-L310 PolarHBondContact O-N 3.38Å; C306-L460 HydrophobicContact CB-CD2 3.99Å |
| 307 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R303 Y304 R305 L310 A311 A331 Y335 | R303-G307 PolarHBondContact O-N 2.94Å; Y304-G307 WeakPolarHBondContact O-CA 2.99Å; Y304-G307 PolarHBondContact O-N 3.09Å; Y304-G307 VanDerWaalsContact O-N 3.13Å; R305-G307 PolarHBondContact O-N 2.92Å; G307-L310 PolarHBondContact O-N 2.89Å; G307-A311 PolarHBondContact O-N 3.4Å; G307-A331 VanDerWaalsContact CA-O 3.24Å; G307-A331 WeakPolarHBondContact CA-O 3.5Å; G307-Y335 WeakPolarHBondContact O-CA 3.25Å |
| 308 | Q | 98.7 | Very high | 98 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64 | -42.9 | 175.1 | -64 | 179.5 | -54.4 | 0 | 0 | 111.6 | Y304 R305 L310 A311 I312 G334 K338 | Y304-Q308 HydrophobicContact CD1-CG 4.19Å; Y304-Q308 HydrophobicContact CE1-CG 3.98Å; Y304-Q308 PolarHBondContact O-N 3.12Å; R305-Q308 WeakPolarHBondContact O-CB 3.3Å; R305-Q308 PolarHBondContact O-N 3.2Å; Q308-L310 VanDerWaalsContact C-N 3.35Å; Q308-A311 WeakPolarHBondContact O-CB 3.48Å; Q308-A311 PolarHBondContact O-N 2.99Å; Q308-I312 WeakPolarHBondContact O-CG1 3.38Å; Q308-I312 PolarHBondContact O-N 2.92Å; Q308-I312 VanDerWaalsContact O-N 3.16Å; Q308-G334 WeakPolarHBondContact CG-O 3.37Å; Q308-K338 HydrophobicContact CB-CB 4.29Å; Q308-K338 HydrophobicContact CG-CB 4.32Å |
| 309 | Q | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 177.5 | -175.2 | 58.8 | 26.7 | 0 | 0 | 111.4 | R305 C306 A311 I312 E313 L460 S468 | R305-Q309 PolarHBondContact O-N 2.71Å; C306-Q309 PolarHBondContact O-N 3.38Å; Q309-A311 VanDerWaalsContact C-N 3.28Å; Q309-A311 PolarHBondContact O-N 3.26Å; Q309-I312 WeakPolarHBondContact O-CB 3.4Å; Q309-I312 PolarHBondContact O-N 3.07Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.38Å; Q309-E313 PolarHBondContact NE2-OE1 3.16Å; Q309-E313 PolarHBondContact O-N 3.5Å; Q309-L460 HydrophobicContact CB-CD1 4.1Å; Q309-L460 HydrophobicContact CG-CD1 3.79Å; Q309-S468 VanDerWaalsContact CB-OG 3.29Å; Q309-S468 WeakPolarHBondContact CB-OG 3.41Å |
| 310 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -35.3 | 174.5 | -176.8 | 57.7 | 0 | 0 | 0 | 112.7 | C306 G307 Q308 I312 A314 Y335 R416 A418 L460 | C306-L310 VanDerWaalsContact O-CB 3.31Å; C306-L310 WeakPolarHBondContact O-CB 3.46Å; C306-L310 PolarHBondContact O-N 3.38Å; G307-L310 PolarHBondContact O-N 2.89Å; Q308-L310 VanDerWaalsContact C-N 3.35Å; L310-I312 VanDerWaalsContact C-N 3.32Å; L310-A314 HydrophobicContact CD1-CB 4.21Å; L310-A314 WeakPolarHBondContact O-CA 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.41Å; L310-A314 PolarHBondContact O-N 2.94Å; L310-Y335 HydrophobicContact CB-CD2 4.12Å; L310-Y335 HydrophobicContact CD2-CD2 4.3Å; L310-Y335 HydrophobicContact CG-CD2 3.94Å; L310-Y335 HydrophobicContact CG-CE2 4.07Å; L310-R416 HydrophobicContact CD2-CB 3.69Å; L310-R416 HydrophobicContact CG-CB 4.15Å; L310-A418 HydrophobicContact CD2-CB 4.46Å; L310-L460 HydrophobicContact CB-CD1 4.14Å; L310-L460 HydrophobicContact CD1-CB 4.09Å |
| 311 | A | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.7 | -31 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G307 Q308 Q309 Y335 K338 C339 | G307-A311 PolarHBondContact O-N 3.4Å; Q308-A311 WeakPolarHBondContact O-CB 3.48Å; Q308-A311 PolarHBondContact O-N 2.99Å; Q309-A311 VanDerWaalsContact C-N 3.28Å; Q309-A311 PolarHBondContact O-N 3.26Å; A311-Y335 HydrophobicContact CB-CD1 4.38Å; A311-Y335 HydrophobicContact CB-CD2 3.61Å; A311-Y335 HydrophobicContact CB-CE2 3.83Å; A311-Y335 HydrophobicContact CB-CG 3.9Å; A311-K338 HydrophobicContact CB-CB 3.65Å; A311-K338 HydrophobicContact CB-CG 3.64Å; A311-C339 WeakPolarHBondContact CB-SG 3.42Å |
| 312 | I | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 48% | 0.482 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -71.8 | -46.1 | 174.5 | -65.2 | 165.6 | 0 | 0 | 0 | 110.3 | Q308 Q309 L310 K338 | Q308-I312 WeakPolarHBondContact O-CG1 3.38Å; Q308-I312 PolarHBondContact O-N 2.92Å; Q308-I312 VanDerWaalsContact O-N 3.16Å; Q309-I312 WeakPolarHBondContact O-CB 3.4Å; Q309-I312 PolarHBondContact O-N 3.07Å; L310-I312 VanDerWaalsContact C-N 3.32Å; I312-K338 HydrophobicContact CG1-CD 4.45Å; I312-K338 VanDerWaalsContact CG1-CE 3.44Å; I312-K338 HydrophobicContact CG1-CG 4.31Å |
| 313 | E | 98.4 | Very high | 98.2 | Very high | 65 Ų | 65 | 34.4 Ų | 34.4 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -75.2 | -31.9 | -175.7 | -69.3 | 177.7 | -158.8 | 0 | 0 | 113.1 | Q309 S461 G464 | Q309-E313 WeakPolarHBondContact CG-OE1 3.38Å; Q309-E313 PolarHBondContact NE2-OE1 3.16Å; Q309-E313 PolarHBondContact O-N 3.5Å; E313-S461 PolarHBondContact OE1-OG 2.95Å; E313-S461 WeakPolarHBondContact OE2-CB 3.27Å; E313-S461 PolarHBondContact OE2-N 2.9Å; E313-S461 PolarHBondContact OE2-OG 3.07Å; E313-G464 VanDerWaalsContact OE1-CA 3.23Å; E313-G464 WeakPolarHBondContact OE1-CA 3.34Å |
| 314 | A | 97.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -140.2 | 57.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L310 Y335 R416 I458 | L310-A314 HydrophobicContact CD1-CB 4.21Å; L310-A314 WeakPolarHBondContact O-CA 3.31Å; L310-A314 WeakPolarHBondContact O-CB 3.41Å; L310-A314 PolarHBondContact O-N 2.94Å; A314-Y335 PolarHBondContact O-OH 2.89Å; A314-R416 PolarHBondContact O-NE 2.88Å; A314-R416 PolarHBondContact O-NH2 3.06Å; A314-I458 HydrophobicContact CB-CB 3.85Å; A314-I458 HydrophobicContact CB-CD1 4.03Å; A314-I458 HydrophobicContact CB-CG2 3.45Å; A314-I458 VanDerWaalsContact CB-CG2 3.45Å |
| 315 | P | 97.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 32.4 Ų | 32.4 | 55% | 0.552 | 17% | 0.172 | S | C | * | . | trans | -65 | 157.1 | 174 | 30.2 | -35.5 | 0 | 0 | 0 | 111.2 | ||||
| 316 | V | 98.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | trans | -156.1 | 147.3 | 169.9 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | A318 V386 H414 R416 | V316-A318 PolarHBondContact O-N 3.26Å; V316-V386 HydrophobicContact CG1-CG2 3.51Å; V316-H414 HydrophobicContact CG1-CB 4.11Å; V316-R416 VanDerWaalsContact CB-NH2 3.34Å | ||
| 317 | E | 97.6 | Very high | 96.3 | Very high | 147 Ų | 147 | 37 Ų | 37 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | trans | -69.5 | 117.3 | 172.1 | -63.8 | -166.7 | 168.5 | 0 | 0 | 110.9 | R384 | E317-R384 IonicContact OE2-NH1 2.63Å; E317-R384 PolarHBondContact OE2-NH1 2.88Å | ||
| 318 | A | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 37 Ų | 37 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -147.5 | 172.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | V316 L341 R384 V386 | V316-A318 PolarHBondContact O-N 3.26Å; A318-L341 HydrophobicContact CB-CD1 4.29Å; A318-L341 VanDerWaalsContact O-CD2 3.28Å; A318-L341 WeakPolarHBondContact O-CD2 3.25Å; A318-R384 HydrophobicContact CB-CB 4.2Å; A318-V386 HydrophobicContact CB-CG2 3.48Å; A318-V386 VanDerWaalsContact CB-CG2 3.48Å | ||
| 319 | D | 98.6 | Very high | 96 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 33% | 0.326 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -103 | -21.4 | -177.1 | -47.6 | -41.8 | 0 | 0 | 0 | 111.7 | P342 K383 R384 | D319-P342 WeakPolarHBondContact O-CG 3.12Å; D319-K383 HydrophobicContact CB-CB 4.08Å; D319-K383 HydrophobicContact CB-CD 4.43Å; D319-K383 HydrophobicContact CB-CG 4.42Å; D319-K383 WeakPolarHBondContact OD2-CA 3.21Å; D319-R384 PolarHBondContact N-O 2.62Å; D319-R384 IonicContact OD1-CZ 3.28Å; D319-R384 IonicContact OD1-NE 2.89Å; D319-R384 PolarHBondContact OD1-NE 3.06Å; D319-R384 IonicContact OD1-NH2 3.51Å; D319-R384 PolarHBondContact OD1-NH2 3.49Å; D319-R384 PolarHBondContact OD2-N 2.83Å; D319-R384 IonicContact OD2-NE 3.21Å |
| 320 | L | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.3 | 175.6 | 64.8 | 88.6 | 0 | 0 | 0 | 112.4 | P342 V344 V346 F380 K383 R384 I385 V386 | L320-P342 HydrophobicContact CB-CG 4.33Å; L320-V344 HydrophobicContact CB-CB 4.33Å; L320-V344 HydrophobicContact CB-CG2 4.04Å; L320-V344 HydrophobicContact CD1-CB 4.38Å; L320-V344 HydrophobicContact CD2-CB 4.21Å; L320-V344 HydrophobicContact CD2-CG2 4.38Å; L320-V346 HydrophobicContact CD1-CG1 3.93Å; L320-F380 HydrophobicContact CD2-CB 3.92Å; L320-K383 HydrophobicContact CD2-CB 4.39Å; L320-K383 HydrophobicContact CD2-CD 3.76Å; L320-R384 PolarHBondContact N-O 3.16Å; L320-I385 HydrophobicContact CD1-CB 4.23Å; L320-I385 HydrophobicContact CD1-CG1 4.03Å; L320-I385 HydrophobicContact CD1-CG2 3.8Å; L320-I385 HydrophobicContact CG-CG1 4.38Å; L320-V386 PolarHBondContact O-N 3.14Å |
| 321 | V | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.7 | 170.6 | 180 | 0 | 0 | 0 | 0 | 109 | A332 Y335 A336 L341 P342 Y343 V344 V386 I388 | V321-A332 HydrophobicContact CG1-CB 4.26Å; V321-Y335 HydrophobicContact CG1-CD1 4.25Å; V321-Y335 HydrophobicContact CG2-CD1 3.84Å; V321-Y335 HydrophobicContact CG2-CE1 4.25Å; V321-A336 HydrophobicContact CB-CB 3.85Å; V321-A336 HydrophobicContact CG1-CB 4.14Å; V321-A336 HydrophobicContact CG2-CB 4.02Å; V321-L341 HydrophobicContact CG2-CB 3.76Å; V321-L341 HydrophobicContact CG2-CD1 3.75Å; V321-L341 HydrophobicContact CG2-CG 4.41Å; V321-P342 PolarHBondContact N-O 2.88Å; V321-Y343 CarbonylContact O-C 3.53Å; V321-Y343 VanDerWaalsContact O-CA 3.32Å; V321-Y343 WeakPolarHBondContact O-CA 3.43Å; V321-V344 PolarHBondContact O-N 2.73Å; V321-V386 CarbonylContact C-O 3.51Å; V321-V386 WeakPolarHBondContact CA-O 3.42Å; V321-V386 HydrophobicContact CG2-CB 4.17Å; V321-I388 HydrophobicContact CG1-CD1 4.37Å; V321-I388 HydrophobicContact CG1-CG1 4.01Å |
| 322 | S | 98.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 174.8 | 171.6 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | V344 V346 V386 L387 I388 | S322-V344 WeakPolarHBondContact CB-O 3.19Å; S322-V344 PolarHBondContact OG-O 2.94Å; S322-V344 VanDerWaalsContact OG-O 3.13Å; S322-V346 WeakPolarHBondContact OG-CG2 3.2Å; S322-V346 PolarHBondContact OG-N 2.85Å; S322-V386 PolarHBondContact N-O 3.22Å; S322-L387 WeakPolarHBondContact O-CA 3.47Å; S322-I388 PolarHBondContact O-N 3Å |
| 323 | T | 96.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 159.1 | 176.8 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | P325 A328 T329 Y343 I388 | T323-P325 HydrophobicContact CG2-CB 4.41Å; T323-P325 WeakPolarHBondContact O-CD 3.38Å; T323-A328 WeakPolarHBondContact OG1-CB 3.38Å; T323-A328 PolarHBondContact OG1-O 2.91Å; T323-T329 HydrophobicContact CG2-CG2 4.47Å; T323-T329 PolarHBondContact OG1-N 3.2Å; T323-Y343 HydrophobicContact CG2-CE2 4.28Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.46Å; T323-I388 CarbonylContact C-O 3.54Å; T323-I388 WeakPolarHBondContact CA-O 3.25Å; T323-I388 PolarHBondContact OG1-O 3.44Å |
| 324 | V | 92.1 | Very high | 96 | Very high | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76.1 | 115 | 149.9 | -177 | 0 | 0 | 0 | 0 | 107 | F373 L387 I388 D389 I398 I401 | V324-F373 HydrophobicContact CG1-CZ 4.18Å; V324-L387 HydrophobicContact CG2-CD1 4.45Å; V324-L387 HydrophobicContact CG2-CD2 3.92Å; V324-L387 HydrophobicContact CG2-CG 4.09Å; V324-I388 PolarHBondContact N-O 3.14Å; V324-D389 HydrophobicContact CG2-CB 4.21Å; V324-I398 HydrophobicContact CG2-CD1 3.75Å; V324-I401 HydrophobicContact CG1-CD1 4.01Å; V324-I401 HydrophobicContact CG2-CD1 4.24Å |
| 325 | P | 88.6 | Confident | 96 | Very high | 24 Ų | 24 | 27.9 Ų | 27.9 | 16% | 0.156 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 144.4 | -174.3 | 26.1 | -30.5 | 0 | 0 | 0 | 111.8 | T323 L347 K349 F373 | T323-P325 HydrophobicContact CG2-CB 4.41Å; T323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-L347 HydrophobicContact CG-CB 4.3Å; P325-K349 HydrophobicContact CB-CB 4.46Å; P325-K349 HydrophobicContact CG-CB 4.06Å; P325-F373 HydrophobicContact CG-CD1 4.13Å; P325-F373 HydrophobicContact CG-CE1 3.88Å |
| 326 | E | 84.9 | Confident | 96.1 | Very high | 89 Ų | 89 | 24 Ų | 24 | 42% | 0.416 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -119.2 | -23.4 | 14.3 | -70.1 | 164.1 | 157.3 | 0 | 0 | 113.7 | A328 T329 K349 R351 | E326-A328 PolarHBondContact O-N 2.82Å; E326-T329 WeakPolarHBondContact O-CB 3.3Å; E326-T329 PolarHBondContact O-N 3.29Å; E326-T329 PolarHBondContact O-OG1 3.42Å; E326-K349 HydrophobicContact CG-CD 3.87Å; E326-K349 IonicContact OE2-NZ 2.68Å; E326-K349 PolarHBondContact OE2-NZ 2.94Å; E326-R351 IonicContact OE1-NE 3.21Å |
| 327 | S | 87.8 | Confident | 96.1 | Very high | 24 Ų | 24 | 24.9 Ų | 24.9 | 17% | 0.168 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.2 | -172.8 | 34 | 0 | 0 | 0 | 0 | 114 | R303 T329 P330 D390 | R303-S327 PolarHBondContact NH1-O 3.02Å; S327-T329 VanDerWaalsContact C-N 3.33Å; S327-P330 VanDerWaalsContact O-CD 3.29Å; S327-P330 WeakPolarHBondContact O-CD 3.19Å; S327-D390 WeakPolarHBondContact CB-OD2 3.38Å; S327-D390 PolarHBondContact OG-OD2 2.81Å |
| 328 | A | 94.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T323 E326 P330 A331 A332 I388 D390 | T323-A328 WeakPolarHBondContact OG1-CB 3.38Å; T323-A328 PolarHBondContact OG1-O 2.91Å; E326-A328 PolarHBondContact O-N 2.82Å; A328-P330 VanDerWaalsContact C-CD 3.47Å; A328-A331 WeakPolarHBondContact O-CB 3.48Å; A328-A331 PolarHBondContact O-N 2.82Å; A328-A331 VanDerWaalsContact O-N 3.07Å; A328-A332 PolarHBondContact O-N 3.28Å; A328-I388 HydrophobicContact CB-CG2 4.4Å; A328-D390 HydrophobicContact CB-CB 4.22Å |
| 329 | T | 96.4 | Very high | 96.1 | Very high | 36 Ų | 36 | 25.1 Ų | 25.1 | 22% | 0.221 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.1 | -46.1 | -179 | -47.8 | 0 | 0 | 0 | 0 | 113.6 | T323 E326 S327 A331 A332 L333 | T323-T329 HydrophobicContact CG2-CG2 4.47Å; T323-T329 PolarHBondContact OG1-N 3.2Å; E326-T329 WeakPolarHBondContact O-CB 3.3Å; E326-T329 PolarHBondContact O-N 3.29Å; E326-T329 PolarHBondContact O-OG1 3.42Å; S327-T329 VanDerWaalsContact C-N 3.33Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 2.89Å; T329-A332 PolarHBondContact O-N 3.1Å; T329-L333 HydrophobicContact CG2-CD1 4.2Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 3.1Å |
| 330 | P | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 179 | -17.6 | 31.3 | 0 | 0 | 0 | 112 | Y300 R303 Y304 S327 A328 L333 G334 | Y300-P330 HydrophobicContact CD1-CB 4.49Å; Y300-P330 HydrophobicContact CD2-CB 3.82Å; Y300-P330 HydrophobicContact CD2-CG 3.49Å; Y300-P330 VanDerWaalsContact CD2-CG 3.49Å; Y300-P330 HydrophobicContact CE1-CB 4.43Å; Y300-P330 HydrophobicContact CE2-CB 3.76Å; Y300-P330 HydrophobicContact CE2-CG 3.62Å; Y300-P330 HydrophobicContact CG-CB 4.18Å; Y300-P330 HydrophobicContact CG-CG 4.23Å; R303-P330 HydrophobicContact CB-CB 3.79Å; R303-P330 HydrophobicContact CB-CG 4.23Å; Y304-P330 WeakPolarHBondContact CA-O 3.47Å; Y304-P330 WeakPolarHBondContact CD2-O 3.46Å; S327-P330 VanDerWaalsContact O-CD 3.29Å; S327-P330 WeakPolarHBondContact O-CD 3.19Å; A328-P330 VanDerWaalsContact C-CD 3.47Å; P330-L333 PolarHBondContact O-N 3.22Å; P330-G334 PolarHBondContact O-N 2.75Å |
| 331 | A | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R303 G307 A328 T329 G334 Y335 I388 A418 | R303-A331 VanDerWaalsContact O-CA 3.27Å; R303-A331 WeakPolarHBondContact O-CA 3.35Å; R303-A331 WeakPolarHBondContact O-CB 3.32Å; G307-A331 VanDerWaalsContact CA-O 3.24Å; G307-A331 WeakPolarHBondContact CA-O 3.5Å; A328-A331 WeakPolarHBondContact O-CB 3.48Å; A328-A331 PolarHBondContact O-N 2.82Å; A328-A331 VanDerWaalsContact O-N 3.07Å; T329-A331 VanDerWaalsContact C-N 3.32Å; T329-A331 PolarHBondContact O-N 2.89Å; A331-G334 PolarHBondContact O-N 3.23Å; A331-Y335 WeakPolarHBondContact O-CB 3.37Å; A331-Y335 PolarHBondContact O-N 2.93Å; A331-I388 HydrophobicContact CB-CG2 4.07Å; A331-A418 HydrophobicContact CB-CB 3.63Å |
| 332 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V321 A328 T329 G334 Y335 A336 Y343 I388 | V321-A332 HydrophobicContact CG1-CB 4.26Å; A328-A332 PolarHBondContact O-N 3.28Å; T329-A332 PolarHBondContact O-N 3.1Å; A332-G334 VanDerWaalsContact C-N 3.33Å; A332-Y335 PolarHBondContact O-N 2.85Å; A332-A336 WeakPolarHBondContact O-CB 3.47Å; A332-A336 PolarHBondContact O-N 3Å; A332-Y343 HydrophobicContact CB-CD2 4.02Å; A332-Y343 HydrophobicContact CB-CE2 3.76Å; A332-I388 HydrophobicContact CB-CB 3.93Å; A332-I388 HydrophobicContact CB-CG1 3.71Å |
| 333 | L | 98.6 | Very high | 96 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -40.1 | 174.9 | -67.5 | 168.4 | 0 | 0 | 0 | 111.6 | Y300 Y304 T329 P330 A337 Y343 | Y300-L333 VanDerWaalsContact OH-CD1 3.22Å; Y300-L333 WeakPolarHBondContact OH-CD1 3.45Å; Y304-L333 HydrophobicContact CD2-CB 4.01Å; Y304-L333 VanDerWaalsContact CE2-C 3.49Å; Y304-L333 HydrophobicContact CE2-CB 3.87Å; T329-L333 HydrophobicContact CG2-CD1 4.2Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 3.1Å; P330-L333 PolarHBondContact O-N 3.22Å; L333-A337 VanDerWaalsContact O-CB 3.3Å; L333-A337 WeakPolarHBondContact O-CB 3.47Å; L333-A337 PolarHBondContact O-N 2.89Å; L333-Y343 HydrophobicContact CD2-CD1 3.9Å; L333-Y343 HydrophobicContact CD2-CD2 4.09Å; L333-Y343 HydrophobicContact CD2-CE1 4.47Å; L333-Y343 HydrophobicContact CD2-CG 3.69Å |
| 334 | G | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y304 Q308 P330 A331 A332 K338 | Y304-G334 VanDerWaalsContact CE2-CA 3.48Å; Y304-G334 VanDerWaalsContact CE2-N 3.35Å; Y304-G334 WeakPolarHBondContact O-CA 3.45Å; Q308-G334 WeakPolarHBondContact CG-O 3.37Å; P330-G334 PolarHBondContact O-N 2.75Å; A331-G334 PolarHBondContact O-N 3.23Å; A332-G334 VanDerWaalsContact C-N 3.33Å; G334-K338 WeakPolarHBondContact O-CB 3.26Å; G334-K338 PolarHBondContact O-N 3.12Å |
| 335 | Y | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 177 | -170.9 | -76.5 | 0 | 0 | 0 | 111.2 | G307 L310 A311 A314 V321 A331 A332 A337 K338 C339 V386 I388 R416 | G307-Y335 WeakPolarHBondContact O-CA 3.25Å; L310-Y335 HydrophobicContact CB-CD2 4.12Å; L310-Y335 HydrophobicContact CD2-CD2 4.3Å; L310-Y335 HydrophobicContact CG-CD2 3.94Å; L310-Y335 HydrophobicContact CG-CE2 4.07Å; A311-Y335 HydrophobicContact CB-CD1 4.38Å; A311-Y335 HydrophobicContact CB-CD2 3.61Å; A311-Y335 HydrophobicContact CB-CE2 3.83Å; A311-Y335 HydrophobicContact CB-CG 3.9Å; A314-Y335 PolarHBondContact O-OH 2.89Å; V321-Y335 HydrophobicContact CG1-CD1 4.25Å; V321-Y335 HydrophobicContact CG2-CD1 3.84Å; V321-Y335 HydrophobicContact CG2-CE1 4.25Å; A331-Y335 WeakPolarHBondContact O-CB 3.37Å; A331-Y335 PolarHBondContact O-N 2.93Å; A332-Y335 PolarHBondContact O-N 2.85Å; Y335-A337 PolarHBondContact O-N 2.79Å; Y335-K338 PolarHBondContact O-N 2.84Å; Y335-C339 HydrophobicContact CE1-CB 4.42Å; Y335-C339 VanDerWaalsContact CE1-SG 3.55Å; Y335-C339 WeakPolarHBondContact O-CB 3.35Å; Y335-C339 PolarHBondContact O-N 2.81Å; Y335-V386 HydrophobicContact CD1-CG1 4.31Å; Y335-V386 HydrophobicContact CE1-CB 4.39Å; Y335-V386 HydrophobicContact CE1-CG1 3.82Å; Y335-V386 HydrophobicContact CE1-CG2 4.34Å; Y335-I388 HydrophobicContact CD1-CD1 4.3Å; Y335-I388 HydrophobicContact CD2-CD1 4.07Å; Y335-I388 HydrophobicContact CG-CD1 3.92Å; Y335-R416 HydrophobicContact CE2-CB 4.41Å; Y335-R416 HydrophobicContact CE2-CG 3.92Å |
| 336 | A | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -49.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V321 A332 K338 C339 G340 L341 | V321-A336 HydrophobicContact CB-CB 3.85Å; V321-A336 HydrophobicContact CG1-CB 4.14Å; V321-A336 HydrophobicContact CG2-CB 4.02Å; A332-A336 WeakPolarHBondContact O-CB 3.47Å; A332-A336 PolarHBondContact O-N 3Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 2.94Å; A336-C339 PolarHBondContact O-N 2.97Å; A336-G340 PolarHBondContact O-N 2.86Å; A336-L341 WeakPolarHBondContact CB-O 3.22Å; A336-L341 PolarHBondContact O-N 3.14Å |
| 337 | A | 98.5 | Very high | 97.1 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 47% | 0.471 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y304 L333 Y335 | Y304-A337 WeakPolarHBondContact OH-CB 3.37Å; L333-A337 VanDerWaalsContact O-CB 3.3Å; L333-A337 WeakPolarHBondContact O-CB 3.47Å; L333-A337 PolarHBondContact O-N 2.89Å; Y335-A337 PolarHBondContact O-N 2.79Å |
| 338 | K | 98.5 | Very high | 97.2 | Very high | 114 Ų | 114 | 37.4 Ų | 37.4 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -71.5 | -36.8 | 179.8 | -175.6 | 60.1 | 176.5 | -177 | 0 | 113 | Q308 A311 I312 G334 Y335 A336 | Q308-K338 HydrophobicContact CB-CB 4.29Å; Q308-K338 HydrophobicContact CG-CB 4.32Å; A311-K338 HydrophobicContact CB-CB 3.65Å; A311-K338 HydrophobicContact CB-CG 3.64Å; I312-K338 HydrophobicContact CG1-CD 4.45Å; I312-K338 VanDerWaalsContact CG1-CE 3.44Å; I312-K338 HydrophobicContact CG1-CG 4.31Å; G334-K338 WeakPolarHBondContact O-CB 3.26Å; G334-K338 PolarHBondContact O-N 3.12Å; Y335-K338 PolarHBondContact O-N 2.84Å; A336-K338 VanDerWaalsContact C-N 3.32Å; A336-K338 PolarHBondContact O-N 2.94Å |
| 339 | C | 97.6 | Very high | 96.9 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -83.7 | -10.4 | 177.7 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | A311 Y335 A336 L341 | A311-C339 WeakPolarHBondContact CB-SG 3.42Å; Y335-C339 HydrophobicContact CE1-CB 4.42Å; Y335-C339 VanDerWaalsContact CE1-SG 3.55Å; Y335-C339 WeakPolarHBondContact O-CB 3.35Å; Y335-C339 PolarHBondContact O-N 2.81Å; A336-C339 PolarHBondContact O-N 2.97Å; C339-L341 VanDerWaalsContact C-N 3.29Å; C339-L341 HydrophobicContact CB-CD1 4.02Å; C339-L341 HydrophobicContact CB-CG 3.99Å |
| 340 | G | 97.8 | Very high | 96.2 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 71% | 0.711 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 26.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A336 | A336-G340 PolarHBondContact O-N 2.86Š|
| 341 | L | 98.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 147.1 | 178.9 | -67.4 | 175.7 | 0 | 0 | 0 | 110.7 | A318 V321 A336 C339 | A318-L341 HydrophobicContact CB-CD1 4.29Å; A318-L341 VanDerWaalsContact O-CD2 3.28Å; A318-L341 WeakPolarHBondContact O-CD2 3.25Å; V321-L341 HydrophobicContact CG2-CB 3.76Å; V321-L341 HydrophobicContact CG2-CD1 3.75Å; V321-L341 HydrophobicContact CG2-CG 4.41Å; A336-L341 WeakPolarHBondContact CB-O 3.22Å; A336-L341 PolarHBondContact O-N 3.14Å; C339-L341 VanDerWaalsContact C-N 3.29Å; C339-L341 HydrophobicContact CB-CD1 4.02Å; C339-L341 HydrophobicContact CB-CG 3.99Å |
| 342 | P | 98.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.6 | 173.9 | 29.4 | -33.7 | 0 | 0 | 0 | 110.7 | D319 L320 V321 V344 | D319-P342 WeakPolarHBondContact O-CG 3.12Å; L320-P342 HydrophobicContact CB-CG 4.33Å; V321-P342 PolarHBondContact N-O 2.88Å; P342-V344 HydrophobicContact CB-CG2 4.21Å |
| 343 | Y | 98.3 | Very high | 92.6 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 125.7 | 164.1 | 176.3 | -93.1 | 0 | 0 | 0 | 109.3 | V321 T323 A332 L333 E345 | V321-Y343 CarbonylContact O-C 3.53Å; V321-Y343 VanDerWaalsContact O-CA 3.32Å; V321-Y343 WeakPolarHBondContact O-CA 3.43Å; T323-Y343 HydrophobicContact CG2-CE2 4.28Å; T323-Y343 WeakPolarHBondContact CG2-OH 3.46Å; A332-Y343 HydrophobicContact CB-CD2 4.02Å; A332-Y343 HydrophobicContact CB-CE2 3.76Å; L333-Y343 HydrophobicContact CD2-CD1 3.9Å; L333-Y343 HydrophobicContact CD2-CD2 4.09Å; L333-Y343 HydrophobicContact CD2-CE1 4.47Å; L333-Y343 HydrophobicContact CD2-CG 3.69Å; Y343-E345 HydrophobicContact CE1-CG 4Å |
| 344 | V | 97.9 | Very high | 90.7 | Very high | 35 Ų | 35 | 65 Ų | 65 | 21% | 0.212 | 35% | 0.353 | C | S | . | . | trans | -136.9 | 128.4 | -178.9 | -176 | 0 | 0 | 0 | 0 | 108.9 | L320 V321 S322 P342 V346 N379 | L320-V344 HydrophobicContact CB-CB 4.33Å; L320-V344 HydrophobicContact CB-CG2 4.04Å; L320-V344 HydrophobicContact CD1-CB 4.38Å; L320-V344 HydrophobicContact CD2-CB 4.21Å; L320-V344 HydrophobicContact CD2-CG2 4.38Å; V321-V344 PolarHBondContact O-N 2.73Å; S322-V344 WeakPolarHBondContact CB-O 3.19Å; S322-V344 PolarHBondContact OG-O 2.94Å; S322-V344 VanDerWaalsContact OG-O 3.13Å; P342-V344 HydrophobicContact CB-CG2 4.21Å; V344-V346 PolarHBondContact O-N 3.06Å; V344-N379 HydrophobicContact CG1-CB 3.69Å | ||
| 345 | E | 96.5 | Very high | 88.6 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | trans | -68.3 | 124 | 176.6 | -63.1 | -174.4 | 149.2 | 0 | 0 | 110.8 | Y343 L376 N379 | Y343-E345 HydrophobicContact CE1-CG 4Å; E345-L376 HydrophobicContact CB-CD1 4.01Å; E345-N379 PolarHBondContact O-ND2 2.98Å | ||
| 346 | V | 96.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -110.7 | -14.3 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | L320 S322 V344 L376 F380 I385 L387 L405 | L320-V346 HydrophobicContact CD1-CG1 3.93Å; S322-V346 WeakPolarHBondContact OG-CG2 3.2Å; S322-V346 PolarHBondContact OG-N 2.85Å; V344-V346 PolarHBondContact O-N 3.06Å; V346-L376 PolarHBondContact O-N 3.45Å; V346-F380 HydrophobicContact CB-CD1 3.61Å; V346-F380 HydrophobicContact CB-CE1 3.84Å; V346-F380 HydrophobicContact CB-CG 4.45Å; V346-F380 HydrophobicContact CG1-CB 4.08Å; V346-F380 HydrophobicContact CG1-CD1 3.62Å; V346-F380 HydrophobicContact CG1-CE1 4.36Å; V346-F380 HydrophobicContact CG1-CG 4.11Å; V346-I385 HydrophobicContact CG1-CD1 4.44Å; V346-L387 HydrophobicContact CG2-CD1 4.13Å; V346-L405 HydrophobicContact CB-CD2 4.19Å; V346-L405 HydrophobicContact CG2-CD1 4.3Å; V346-L405 HydrophobicContact CG2-CD2 3.91Å | ||
| 347 | L | 93.7 | Very high | 83.2 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.7 | -179 | -62.3 | 169.6 | 0 | 0 | 0 | 109.9 | P325 F373 G374 I401 L405 | P325-L347 HydrophobicContact CG-CB 4.3Å; L347-F373 HydrophobicContact CB-CD1 4.45Å; L347-F373 HydrophobicContact CD2-CB 4.19Å; L347-G374 CarbonylContact C-O 3.55Å; L347-G374 WeakPolarHBondContact CA-O 3.43Å; L347-I401 HydrophobicContact CD1-CG2 3.74Å; L347-I401 HydrophobicContact CD2-CG2 4.46Å; L347-L405 HydrophobicContact CD2-CD2 4.08Å |
| 348 | C | 90.7 | Very high | 80.3 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 48% | 0.48 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.7 | 169 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | F373 G374 L376 | C348-F373 CarbonylContact O-C 3.54Å; C348-F373 WeakPolarHBondContact O-CA 3.44Å; C348-G374 PolarHBondContact N-O 3.16Å; C348-G374 PolarHBondContact O-N 2.7Å; C348-L376 HydrophobicContact CB-CD2 4.45Å |
| 349 | K | 86.8 | Confident | 77.7 | Confident | 80 Ų | 80 | 79.6 Ų | 79.6 | 35% | 0.348 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.6 | 177.8 | -174.1 | 178.7 | 172.7 | -173.8 | 0 | 110.3 | P325 E326 R351 F373 | P325-K349 HydrophobicContact CB-CB 4.46Å; P325-K349 HydrophobicContact CG-CB 4.06Å; E326-K349 HydrophobicContact CG-CD 3.87Å; E326-K349 IonicContact OE2-NZ 2.68Å; E326-K349 PolarHBondContact OE2-NZ 2.94Å; K349-R351 PolarHBondContact O-N 2.86Å; K349-R351 VanDerWaalsContact O-N 3.17Å; K349-F373 HydrophobicContact CB-CD1 4.28Å; K349-F373 HydrophobicContact CB-CE1 4.24Å; K349-F373 HydrophobicContact CG-CE1 4.17Å |
| 350 | N | 82.9 | Confident | 75 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | trans | -77.3 | 102.8 | 173.7 | -169.8 | -15.7 | 0 | 0 | 0 | 110.4 | Y352 V353 K371 K372 | N350-Y352 PolarHBondContact O-N 2.8Å; N350-Y352 PolarHBondContact OD1-N 2.75Å; N350-Y352 VanDerWaalsContact OD1-N 3.15Å; N350-V353 HydrophobicContact CB-CG2 3.85Å; N350-V353 VanDerWaalsContact CG-CG2 3.46Å; N350-V353 VanDerWaalsContact ND2-CG2 3.33Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.14Å; N350-V353 PolarHBondContact O-N 3.42Å; N350-K371 PolarHBondContact ND2-O 2.95Å; N350-K372 PolarHBondContact N-O 3.27Å | ||
| 351 | R | 79.8 | Confident | 72.8 | Confident | 197 Ų | 197 | 83.5 Ų | 83.5 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.7 | -177.1 | -63.7 | -179.2 | 178.3 | 163.8 | 2.6 | 114.2 | E326 K349 | E326-R351 IonicContact OE1-NE 3.21Å; K349-R351 PolarHBondContact O-N 2.86Å; K349-R351 VanDerWaalsContact O-N 3.17Å |
| 352 | Y | 71.2 | Confident | 70.4 | Confident | 221 Ų | 221 | 87.9 Ų | 87.9 | 87% | 0.867 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -1.7 | -176.7 | -54.1 | -76.9 | 0 | 0 | 0 | 113.1 | N350 G354 | N350-Y352 PolarHBondContact O-N 2.8Å; N350-Y352 PolarHBondContact OD1-N 2.75Å; N350-Y352 VanDerWaalsContact OD1-N 3.15Å; Y352-G354 PolarHBondContact O-N 3.35Å |
| 353 | V | 67.2 | Low | 68.5 | Low | 48 Ų | 48 | 93.5 Ų | 93.5 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | trans | -83.5 | 102.8 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | N350 K371 K372 | N350-V353 HydrophobicContact CB-CG2 3.85Å; N350-V353 VanDerWaalsContact CG-CG2 3.46Å; N350-V353 VanDerWaalsContact ND2-CG2 3.33Å; N350-V353 WeakPolarHBondContact ND2-CG2 3.14Å; N350-V353 PolarHBondContact O-N 3.42Å; V353-K371 WeakPolarHBondContact CG2-O 3.43Å; V353-K372 HydrophobicContact CG1-CG 4.21Å | ||
| 354 | G | 58.3 | Low | 66.5 | Low | 57 Ų | 57 | 93.3 Ų | 93.3 | 59% | 0.588 | 46% | 0.456 | S | S | * | . | trans | -66.8 | -174.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y352 T356 | Y352-G354 PolarHBondContact O-N 3.35Å; G354-T356 PolarHBondContact O-N 3.36Å; G354-T356 VanDerWaalsContact O-N 3.17Å | ||
| 355 | R | 55.2 | Low | 64.5 | Low | 100 Ų | 100 | 94.9 Ų | 94.9 | 38% | 0.377 | 46% | 0.458 | S | S | . | . | trans | -54 | 126.3 | 172.1 | -65.8 | -170.3 | -168.9 | -167.3 | 8.3 | 109 | F357 | R355-F357 PolarHBondContact O-N 3.03Š| ||
| 356 | T | 45.1 | Very low | 62.5 | Low | 38 Ų | 38 | 96.4 Ų | 96.4 | 23% | 0.233 | 47% | 0.465 | C | S | . | . | trans | -64.5 | 109.1 | 172 | 25.4 | 0 | 0 | 0 | 0 | 108.4 | G354 | G354-T356 PolarHBondContact O-N 3.36Å; G354-T356 VanDerWaalsContact O-N 3.17Å | ||
| 357 | F | 39.1 | Very low | 60.7 | Low | 183 Ų | 183 | 100.2 Ų | 100.2 | 80% | 0.803 | 49% | 0.485 | S | S | * | . | trans | -51.9 | 155.3 | 170.1 | -77 | -88.7 | 0 | 0 | 0 | 111 | R355 Q359 | R355-F357 PolarHBondContact O-N 3.03Å; F357-Q359 WeakPolarHBondContact O-CG 3.49Å; F357-Q359 PolarHBondContact O-N 2.88Å | ||
| 358 | I | 37.5 | Very low | 59 | Low | 123 Ų | 123 | 100 Ų | 100 | 63% | 0.631 | 48% | 0.484 | S | S | * | . | trans | -35.6 | 102.9 | 172 | -54.7 | -165.9 | 0 | 0 | 0 | 110.3 | L3 | L3-I358 HydrophobicContact CD1-CB 3.63Å; L3-I358 HydrophobicContact CD1-CD1 4.36Å; L3-I358 HydrophobicContact CD1-CG1 3.76Å; L3-I358 HydrophobicContact CD1-CG2 3.33Å | ||
| 359 | Q | 43.9 | Very low | 57.5 | Low | 38 Ų | 38 | 97 Ų | 97 | 18% | 0.178 | 46% | 0.464 | C | S | . | . | trans | -91.5 | 120.6 | -179 | -61.5 | -146.2 | -17.1 | 0 | 0 | 109.3 | F357 N361 L364 | F357-Q359 WeakPolarHBondContact O-CG 3.49Å; F357-Q359 PolarHBondContact O-N 2.88Å; Q359-N361 PolarHBondContact O-N 2.87Å; Q359-L364 HydrophobicContact CB-CB 4.31Å; Q359-L364 PolarHBondContact OE1-O 2.95Å | ||
| 360 | P | 39.7 | Very low | 56.1 | Low | 123 Ų | 123 | 96.2 Ų | 96.2 | 80% | 0.799 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -70.5 | -5.3 | -167.1 | 24.8 | -33.5 | 0 | 0 | 0 | 114.7 | ||
| 361 | N | 53.4 | Low | 55.2 | Low | 75 Ų | 75 | 97.9 Ų | 97.9 | 40% | 0.401 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -144 | 155 | 176.9 | 75.5 | 36.1 | 0 | 0 | 0 | 113.5 | Q359 R363 L364 R365 | Q359-N361 PolarHBondContact O-N 2.87Å; N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 2.83Å; N361-R363 PolarHBondContact OD1-N 3.2Å; N361-L364 PolarHBondContact O-N 3.4Å; N361-L364 VanDerWaalsContact OD1-CB 3.3Å; N361-L364 WeakPolarHBondContact OD1-CB 3.5Å; N361-L364 VanDerWaalsContact OD1-CG 3.23Å; N361-L364 WeakPolarHBondContact OD1-CG 3.41Å; N361-L364 PolarHBondContact OD1-N 3.06Å; N361-R365 PolarHBondContact O-N 3.34Å |
| 362 | M | 46.7 | Very low | 54.9 | Low | 129 Ų | 129 | 91.3 Ų | 91.3 | 64% | 0.635 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61 | -31 | 179.5 | -78.3 | -68 | -69.6 | 0 | 0 | 113.7 | R365 Q366 | M362-R365 WeakPolarHBondContact O-CB 3.38Å; M362-R365 PolarHBondContact O-N 3.32Å; M362-Q366 PolarHBondContact O-N 3.09Å |
| 363 | R | 58.4 | Low | 55.5 | Low | 189 Ų | 189 | 81.8 Ų | 81.8 | 71% | 0.713 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 180 | 179.9 | -177.5 | 172.9 | 99.8 | -0.4 | 112 | N361 R365 Q366 L367 | N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 2.83Å; N361-R363 PolarHBondContact OD1-N 3.2Å; R363-R365 VanDerWaalsContact C-N 3.28Å; R363-R365 PolarHBondContact O-N 2.47Å; R363-Q366 PolarHBondContact O-N 2.94Å; R363-L367 HydrophobicContact CG-CD1 4.38Å; R363-L367 WeakPolarHBondContact O-CG 3.44Å; R363-L367 PolarHBondContact O-N 3.1Å; R363-L367 VanDerWaalsContact O-N 3.07Å |
| 364 | L | 56.8 | Low | 56.4 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 32% | 0.319 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.7 | -32.8 | 178.6 | -70.8 | 170.2 | 0 | 0 | 0 | 111 | Q359 N361 L367 G368 | Q359-L364 HydrophobicContact CB-CB 4.31Å; Q359-L364 PolarHBondContact OE1-O 2.95Å; N361-L364 PolarHBondContact O-N 3.4Å; N361-L364 VanDerWaalsContact OD1-CB 3.3Å; N361-L364 WeakPolarHBondContact OD1-CB 3.5Å; N361-L364 VanDerWaalsContact OD1-CG 3.23Å; N361-L364 WeakPolarHBondContact OD1-CG 3.41Å; N361-L364 PolarHBondContact OD1-N 3.06Å; L364-L367 HydrophobicContact CD2-CD1 4.42Å; L364-L367 CarbonylContact O-C 3.29Å; L364-L367 PolarHBondContact O-N 2.94Å; L364-G368 PolarHBondContact O-N 2.93Å; L364-G368 VanDerWaalsContact O-N 3.08Å |
| 365 | R | 54.4 | Low | 58 | Low | 68 Ų | 68 | 80.4 Ų | 80.4 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 170.8 | -122.8 | 176.3 | 176.9 | 157.3 | -10.8 | 112.6 | L3 N361 M362 R363 L367 G368 | L3-R365 VanDerWaalsContact CG-NH2 3.35Å; N361-R365 PolarHBondContact O-N 3.34Å; M362-R365 WeakPolarHBondContact O-CB 3.38Å; M362-R365 PolarHBondContact O-N 3.32Å; R363-R365 VanDerWaalsContact C-N 3.28Å; R363-R365 PolarHBondContact O-N 2.47Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 2.8Å; R365-G368 WeakPolarHBondContact O-CA 3.48Å; R365-G368 PolarHBondContact O-N 3.05Å |
| 366 | Q | 54.8 | Low | 59.9 | Low | 146 Ų | 146 | 78.4 Ų | 78.4 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -34.3 | 175.3 | -72.9 | 179.5 | -12.3 | 0 | 0 | 112.7 | M362 R363 G368 | M362-Q366 PolarHBondContact O-N 3.09Å; R363-Q366 PolarHBondContact O-N 2.94Å; Q366-G368 PolarHBondContact O-N 3.12Å |
| 367 | L | 59.4 | Low | 62.2 | Low | 81 Ų | 81 | 78.8 Ų | 78.8 | 42% | 0.424 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.1 | -13 | 172 | -69.4 | 167.8 | 0 | 0 | 0 | 113.3 | R363 L364 R365 V369 A370 K371 | R363-L367 HydrophobicContact CG-CD1 4.38Å; R363-L367 WeakPolarHBondContact O-CG 3.44Å; R363-L367 PolarHBondContact O-N 3.1Å; R363-L367 VanDerWaalsContact O-N 3.07Å; L364-L367 HydrophobicContact CD2-CD1 4.42Å; L364-L367 CarbonylContact O-C 3.29Å; L364-L367 PolarHBondContact O-N 2.94Å; R365-L367 VanDerWaalsContact C-N 3.29Å; R365-L367 PolarHBondContact O-N 2.8Å; L367-V369 PolarHBondContact O-N 2.89Å; L367-A370 PolarHBondContact O-N 2.87Å; L367-K371 WeakPolarHBondContact O-CG 3.28Å; L367-K371 PolarHBondContact O-N 2.8Å |
| 368 | G | 58.9 | Low | 65 | Low | 3 Ų | 3 | 77.2 Ų | 77.2 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.9 | -32.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L364 R365 Q366 K371 K372 | L364-G368 PolarHBondContact O-N 2.93Å; L364-G368 VanDerWaalsContact O-N 3.08Å; R365-G368 WeakPolarHBondContact O-CA 3.48Å; R365-G368 PolarHBondContact O-N 3.05Å; Q366-G368 PolarHBondContact O-N 3.12Å; G368-K371 PolarHBondContact O-N 2.99Å; G368-K372 WeakPolarHBondContact O-CG 3.24Å; G368-K372 PolarHBondContact O-N 3Å |
| 369 | V | 57.9 | Low | 67.8 | Low | 10 Ų | 10 | 74.4 Ų | 74.4 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 176.7 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | L367 K371 K372 F373 P400 I401 | L367-V369 PolarHBondContact O-N 2.89Å; V369-K371 PolarHBondContact O-N 2.97Å; V369-K372 PolarHBondContact O-N 2.96Å; V369-F373 HydrophobicContact CG1-CD2 4.26Å; V369-F373 PolarHBondContact O-N 3.35Å; V369-P400 HydrophobicContact CB-CB 4.05Å; V369-P400 HydrophobicContact CG1-CB 4Å; V369-P400 HydrophobicContact CG2-CB 4.18Å; V369-P400 HydrophobicContact CG2-CG 4.19Å; V369-I401 HydrophobicContact CG1-CG1 3.98Å |
| 370 | A | 58.5 | Low | 70.3 | Confident | 62 Ų | 62 | 72.6 Ų | 72.6 | 51% | 0.512 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -23.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L367 | L367-A370 PolarHBondContact O-N 2.87Å |
| 371 | K | 62.2 | Low | 73.1 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 45% | 0.452 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.3 | -30.4 | 170.7 | -73.2 | 178 | 177.4 | -178.9 | 0 | 112.9 | N350 V353 L367 G368 V369 | N350-K371 PolarHBondContact ND2-O 2.95Å; V353-K371 WeakPolarHBondContact CG2-O 3.43Å; L367-K371 WeakPolarHBondContact O-CG 3.28Å; L367-K371 PolarHBondContact O-N 2.8Å; G368-K371 PolarHBondContact O-N 2.99Å; V369-K371 PolarHBondContact O-N 2.97Å |
| 372 | K | 74.3 | Confident | 75.2 | Confident | 59 Ų | 59 | 73 Ų | 73 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -82.7 | -31 | -173.9 | -72.9 | 174.9 | -178.1 | 175.4 | 0 | 113.2 | N350 V353 G368 V369 | N350-K372 PolarHBondContact N-O 3.27Å; V353-K372 HydrophobicContact CG1-CG 4.21Å; G368-K372 WeakPolarHBondContact O-CG 3.24Å; G368-K372 PolarHBondContact O-N 3Å; V369-K372 PolarHBondContact O-N 2.96Å |
| 373 | F | 83.3 | Confident | 77.7 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 9% | 0.088 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.2 | -177.3 | -55.6 | -78.9 | 0 | 0 | 0 | 111.8 | V324 P325 L347 C348 K349 V369 I401 | V324-F373 HydrophobicContact CG1-CZ 4.18Å; P325-F373 HydrophobicContact CG-CD1 4.13Å; P325-F373 HydrophobicContact CG-CE1 3.88Å; L347-F373 HydrophobicContact CB-CD1 4.45Å; L347-F373 HydrophobicContact CD2-CB 4.19Å; C348-F373 CarbonylContact O-C 3.54Å; C348-F373 WeakPolarHBondContact O-CA 3.44Å; K349-F373 HydrophobicContact CB-CD1 4.28Å; K349-F373 HydrophobicContact CB-CE1 4.24Å; K349-F373 HydrophobicContact CG-CE1 4.17Å; V369-F373 HydrophobicContact CG1-CD2 4.26Å; V369-F373 PolarHBondContact O-N 3.35Å; F373-I401 HydrophobicContact CD2-CD1 4.18Å; F373-I401 HydrophobicContact CD2-CG1 4.38Å; F373-I401 HydrophobicContact CE2-CD1 3.94Å |
| 374 | G | 86.8 | Confident | 79.6 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L347 C348 | L347-G374 CarbonylContact C-O 3.55Å; L347-G374 WeakPolarHBondContact CA-O 3.43Å; C348-G374 PolarHBondContact N-O 3.16Å; C348-G374 PolarHBondContact O-N 2.7Å |
| 375 | V | 91.8 | Very high | 81.6 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.3 | -179.2 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | F380 L404 L405 | V375-F380 HydrophobicContact CG1-CE1 3.54Å; V375-F380 HydrophobicContact CG1-CZ 3.34Å; V375-L404 HydrophobicContact CG2-CD1 3.67Å; V375-L404 HydrophobicContact CG2-CD2 3.38Å; V375-L404 HydrophobicContact CG2-CG 3.31Å; V375-L405 HydrophobicContact CG1-CD2 4.33Å |
| 376 | L | 95.1 | Very high | 83.7 | Confident | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | trans | -103 | 65.1 | 176.3 | -57.1 | 176.2 | 0 | 0 | 0 | 110.2 | E345 V346 C348 D378 N379 F380 | E345-L376 HydrophobicContact CB-CD1 4.01Å; V346-L376 PolarHBondContact O-N 3.45Å; C348-L376 HydrophobicContact CB-CD2 4.45Å; L376-D378 VanDerWaalsContact C-N 3.29Å; L376-D378 PolarHBondContact O-N 3.39Å; L376-N379 WeakPolarHBondContact O-CB 3.24Å; L376-N379 PolarHBondContact O-N 3.47Å; L376-F380 VanDerWaalsContact O-CD1 3.23Å; L376-F380 WeakPolarHBondContact O-CD1 3.49Å; L376-F380 WeakPolarHBondContact O-CE1 3.32Å | ||
| 377 | S | 94.6 | Very high | 85.7 | Confident | 45 Ų | 45 | 51 Ų | 51 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -57.9 | -35 | -168.6 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | N379 F380 K381 | S377-N379 PolarHBondContact O-N 2.97Å; S377-N379 VanDerWaalsContact O-N 3.1Å; S377-F380 PolarHBondContact O-N 3.2Å; S377-F380 VanDerWaalsContact O-N 3.09Å; S377-K381 PolarHBondContact O-N 3.16Å |
| 378 | D | 96.6 | Very high | 87.6 | Confident | 151 Ų | 151 | 47.2 Ų | 47.2 | 81% | 0.807 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -57.5 | -26.2 | 177.9 | -69.3 | -23.1 | 0 | 0 | 0 | 112.7 | L376 | L376-D378 VanDerWaalsContact C-N 3.29Å; L376-D378 PolarHBondContact O-N 3.39Å |
| 379 | N | 97 | Very high | 89.4 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -74.7 | -26.9 | -179.2 | -69.4 | -6.4 | 0 | 0 | 0 | 113.1 | V344 E345 L376 S377 K383 | V344-N379 HydrophobicContact CG1-CB 3.69Å; E345-N379 PolarHBondContact O-ND2 2.98Å; L376-N379 WeakPolarHBondContact O-CB 3.24Å; L376-N379 PolarHBondContact O-N 3.47Å; S377-N379 PolarHBondContact O-N 2.97Å; S377-N379 VanDerWaalsContact O-N 3.1Å; N379-K383 PolarHBondContact O-NZ 2.57Å |
| 380 | F | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 0.8 | -165.6 | 68.9 | -100 | 0 | 0 | 0 | 116.4 | L320 V346 V375 L376 S377 G382 K383 I385 L405 A410 | L320-F380 HydrophobicContact CD2-CB 3.92Å; V346-F380 HydrophobicContact CB-CD1 3.61Å; V346-F380 HydrophobicContact CB-CE1 3.84Å; V346-F380 HydrophobicContact CB-CG 4.45Å; V346-F380 HydrophobicContact CG1-CB 4.08Å; V346-F380 HydrophobicContact CG1-CD1 3.62Å; V346-F380 HydrophobicContact CG1-CE1 4.36Å; V346-F380 HydrophobicContact CG1-CG 4.11Å; V375-F380 HydrophobicContact CG1-CE1 3.54Å; V375-F380 HydrophobicContact CG1-CZ 3.34Å; L376-F380 VanDerWaalsContact O-CD1 3.23Å; L376-F380 WeakPolarHBondContact O-CD1 3.49Å; L376-F380 WeakPolarHBondContact O-CE1 3.32Å; S377-F380 PolarHBondContact O-N 3.2Å; S377-F380 VanDerWaalsContact O-N 3.09Å; F380-G382 PolarHBondContact O-N 2.76Å; F380-K383 VanDerWaalsContact O-CB 3.27Å; F380-K383 WeakPolarHBondContact O-CB 3.04Å; F380-K383 PolarHBondContact O-N 2.86Å; F380-I385 HydrophobicContact CB-CD1 3.73Å; F380-I385 HydrophobicContact CB-CG1 4.19Å; F380-I385 HydrophobicContact CD1-CD1 4.46Å; F380-I385 HydrophobicContact CD2-CD1 3.51Å; F380-I385 HydrophobicContact CE2-CD1 4.19Å; F380-I385 HydrophobicContact CG-CD1 3.65Å; F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CE2-CD2 4.17Å; F380-L405 WeakPolarHBondContact CE2-O 3.35Å; F380-L405 HydrophobicContact CZ-CD2 3.56Å; F380-A410 HydrophobicContact CD2-CB 3.94Å; F380-A410 HydrophobicContact CE2-CB 4Å |
| 381 | K | 97.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 45.6 Ų | 45.6 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 126.2 | 179.2 | -168.3 | 174.4 | -176.6 | 176.7 | 0 | 111.6 | S377 K383 | S377-K381 PolarHBondContact O-N 3.16Å; K381-K383 VanDerWaalsContact C-N 3.28Å; K381-K383 PolarHBondContact O-N 3.44Å |
| 382 | G | 97.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 41 Ų | 41 | 54% | 0.536 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 1.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | F380 G409 | F380-G382 PolarHBondContact O-N 2.76Å; G382-G409 PolarHBondContact N-O 3.24Å |
| 383 | K | 98.4 | Very high | 94.7 | Very high | 82 Ų | 82 | 38.5 Ų | 38.5 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | trans | -100.5 | 156.3 | -175.3 | -58.5 | -172.6 | -170.8 | 166 | 0 | 113.1 | D319 L320 N379 F380 K381 K411 | D319-K383 HydrophobicContact CB-CB 4.08Å; D319-K383 HydrophobicContact CB-CD 4.43Å; D319-K383 HydrophobicContact CB-CG 4.42Å; D319-K383 WeakPolarHBondContact OD2-CA 3.21Å; L320-K383 HydrophobicContact CD2-CB 4.39Å; L320-K383 HydrophobicContact CD2-CD 3.76Å; N379-K383 PolarHBondContact O-NZ 2.57Å; F380-K383 VanDerWaalsContact O-CB 3.27Å; F380-K383 WeakPolarHBondContact O-CB 3.04Å; F380-K383 PolarHBondContact O-N 2.86Å; K381-K383 VanDerWaalsContact C-N 3.28Å; K381-K383 PolarHBondContact O-N 3.44Å; K383-K411 PolarHBondContact O-N 3.4Å | ||
| 384 | R | 98.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 19% | 0.185 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 125.6 | 169.4 | -58.8 | 176.2 | -69.2 | 175.1 | 5 | 109.3 | E317 A318 D319 L320 K411 E412 | E317-R384 IonicContact OE2-NH1 2.63Å; E317-R384 PolarHBondContact OE2-NH1 2.88Å; A318-R384 HydrophobicContact CB-CB 4.2Å; D319-R384 PolarHBondContact N-O 2.62Å; D319-R384 IonicContact OD1-CZ 3.28Å; D319-R384 IonicContact OD1-NE 2.89Å; D319-R384 PolarHBondContact OD1-NE 3.06Å; D319-R384 IonicContact OD1-NH2 3.51Å; D319-R384 PolarHBondContact OD1-NH2 3.49Å; D319-R384 PolarHBondContact OD2-N 2.83Å; D319-R384 IonicContact OD2-NE 3.21Å; L320-R384 PolarHBondContact N-O 3.16Å; R384-K411 HydrophobicContact CG-CD 4.11Å; R384-E412 HydrophobicContact CB-CB 4.2Å; R384-E412 HydrophobicContact CG-CB 3.97Å; R384-E412 HydrophobicContact CG-CG 4.04Å |
| 385 | I | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.5 | -172.6 | -55.9 | 173.3 | 0 | 0 | 0 | 109.2 | L320 V346 F380 L387 A410 E412 H414 | L320-I385 HydrophobicContact CD1-CB 4.23Å; L320-I385 HydrophobicContact CD1-CG1 4.03Å; L320-I385 HydrophobicContact CD1-CG2 3.8Å; L320-I385 HydrophobicContact CG-CG1 4.38Å; V346-I385 HydrophobicContact CG1-CD1 4.44Å; F380-I385 HydrophobicContact CB-CD1 3.73Å; F380-I385 HydrophobicContact CB-CG1 4.19Å; F380-I385 HydrophobicContact CD1-CD1 4.46Å; F380-I385 HydrophobicContact CD2-CD1 3.51Å; F380-I385 HydrophobicContact CE2-CD1 4.19Å; F380-I385 HydrophobicContact CG-CD1 3.65Å; I385-L387 HydrophobicContact CG2-CB 4.42Å; I385-A410 HydrophobicContact CD1-CB 3.64Å; I385-A410 HydrophobicContact CG1-CB 4.41Å; I385-E412 PolarHBondContact N-O 3.49Å; I385-H414 PolarHBondContact O-N 3.26Å |
| 386 | V | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.9 | 158.1 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | V316 A318 L320 V321 S322 Y335 I388 H414 R416 | V316-V386 HydrophobicContact CG1-CG2 3.51Å; A318-V386 HydrophobicContact CB-CG2 3.48Å; A318-V386 VanDerWaalsContact CB-CG2 3.48Å; L320-V386 PolarHBondContact O-N 3.14Å; V321-V386 CarbonylContact C-O 3.51Å; V321-V386 WeakPolarHBondContact CA-O 3.42Å; V321-V386 HydrophobicContact CG2-CB 4.17Å; S322-V386 PolarHBondContact N-O 3.22Å; Y335-V386 HydrophobicContact CD1-CG1 4.31Å; Y335-V386 HydrophobicContact CE1-CB 4.39Å; Y335-V386 HydrophobicContact CE1-CG1 3.82Å; Y335-V386 HydrophobicContact CE1-CG2 4.34Å; V386-I388 HydrophobicContact CG1-CD1 3.67Å; V386-H414 CarbonylContact C-O 3.6Å; V386-H414 WeakPolarHBondContact CA-O 3.43Å; V386-H414 HydrophobicContact CG2-CB 4.45Å; V386-R416 HydrophobicContact CG1-CB 4.27Å; V386-R416 HydrophobicContact CG1-CG 3.65Å |
| 387 | L | 98.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.1 | 177.5 | -170.3 | 71.7 | 0 | 0 | 0 | 109.2 | S322 V324 V346 I385 I398 I401 L405 H414 I415 R416 | S322-L387 WeakPolarHBondContact O-CA 3.47Å; V324-L387 HydrophobicContact CG2-CD1 4.45Å; V324-L387 HydrophobicContact CG2-CD2 3.92Å; V324-L387 HydrophobicContact CG2-CG 4.09Å; V346-L387 HydrophobicContact CG2-CD1 4.13Å; I385-L387 HydrophobicContact CG2-CB 4.42Å; L387-I398 HydrophobicContact CD2-CD1 3.96Å; L387-I401 HydrophobicContact CD2-CG2 3.81Å; L387-L405 HydrophobicContact CD1-CD1 4.44Å; L387-L405 HydrophobicContact CD2-CD1 3.92Å; L387-H414 PolarHBondContact N-O 3.29Å; L387-I415 HydrophobicContact CB-CD1 3.86Å; L387-I415 HydrophobicContact CD2-CD1 3.97Å; L387-I415 HydrophobicContact CG-CD1 4.4Å; L387-I415 WeakPolarHBondContact O-CA 3.25Å; L387-R416 PolarHBondContact O-N 2.81Å |
| 388 | I | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 134.6 | 176 | -47.8 | -49.6 | 0 | 0 | 0 | 110.1 | V321 S322 T323 V324 A328 A331 A332 Y335 V386 R416 A418 | V321-I388 HydrophobicContact CG1-CD1 4.37Å; V321-I388 HydrophobicContact CG1-CG1 4.01Å; S322-I388 PolarHBondContact O-N 3Å; T323-I388 CarbonylContact C-O 3.54Å; T323-I388 WeakPolarHBondContact CA-O 3.25Å; T323-I388 PolarHBondContact OG1-O 3.44Å; V324-I388 PolarHBondContact N-O 3.14Å; A328-I388 HydrophobicContact CB-CG2 4.4Å; A331-I388 HydrophobicContact CB-CG2 4.07Å; A332-I388 HydrophobicContact CB-CB 3.93Å; A332-I388 HydrophobicContact CB-CG1 3.71Å; Y335-I388 HydrophobicContact CD1-CD1 4.3Å; Y335-I388 HydrophobicContact CD2-CD1 4.07Å; Y335-I388 HydrophobicContact CG-CD1 3.92Å; V386-I388 HydrophobicContact CG1-CD1 3.67Å; I388-R416 VanDerWaalsContact CA-O 3.28Å; I388-R416 WeakPolarHBondContact CA-O 3.41Å; I388-R416 HydrophobicContact CD1-CB 3.48Å; I388-R416 VanDerWaalsContact CD1-CB 3.48Å; I388-R416 HydrophobicContact CD1-CG 4.19Å; I388-A418 HydrophobicContact CG2-CB 4.31Å |
| 389 | D | 96 | Very high | 92.2 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 158 | 167.6 | -153.3 | -9.7 | 0 | 0 | 0 | 109.4 | V324 R416 V417 A418 | V324-D389 HydrophobicContact CG2-CB 4.21Å; D389-R416 PolarHBondContact N-O 2.85Å; D389-V417 CarbonylContact O-C 3.55Å; D389-V417 WeakPolarHBondContact O-CA 3.48Å; D389-A418 PolarHBondContact O-N 3.31Å |
| 390 | D | 93.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -76.2 | -42.8 | -179.6 | 54 | 73.6 | 0 | 0 | 0 | 111.4 | Y286 S327 A328 S419 | Y286-D390 HydrophobicContact CD2-CB 4.29Å; Y286-D390 WeakPolarHBondContact CD2-OD1 3.32Å; Y286-D390 VanDerWaalsContact CD2-OD2 3.3Å; Y286-D390 WeakPolarHBondContact CD2-OD2 3.32Å; S327-D390 WeakPolarHBondContact CB-OD2 3.38Å; S327-D390 PolarHBondContact OG-OD2 2.81Å; A328-D390 HydrophobicContact CB-CB 4.22Å; D390-S419 VanDerWaalsContact O-CB 3.24Å; D390-S419 WeakPolarHBondContact O-CB 3.39Å; D390-S419 PolarHBondContact O-N 2.89Å; D390-S419 PolarHBondContact O-OG 3.38Å; D390-S419 VanDerWaalsContact O-OG 3.13Å |
| 391 | S | 92.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 34 Ų | 34 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | trans | -159 | 155.7 | -174.5 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | I8 | I8-S391 WeakPolarHBondContact CD1-OG 3.44Š| ||
| 392 | I | 90.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | trans | -127.8 | 111.4 | 172.5 | -56.5 | 177.6 | 0 | 0 | 0 | 108.6 | I398 I415 V417 I439 L452 V457 Y459 | I392-I398 HydrophobicContact CD1-CG2 4.22Å; I392-I398 HydrophobicContact CG2-CG2 4.4Å; I392-I415 HydrophobicContact CD1-CG2 4.23Å; I392-V417 HydrophobicContact CD1-CG2 3.51Å; I392-V417 HydrophobicContact CG1-CG1 4.4Å; I392-V417 HydrophobicContact CG1-CG2 3.87Å; I392-I439 HydrophobicContact CG2-CG2 4.08Å; I392-L452 HydrophobicContact CD1-CD1 4.19Å; I392-V457 HydrophobicContact CD1-CG1 4.44Å; I392-Y459 HydrophobicContact CB-CE1 4.33Å | ||
| 393 | V | 86.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 30.1 Ų | 30.1 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -92.8 | -56.9 | -179.9 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | I8 I422 P433 L438 I439 | I8-V393 HydrophobicContact CB-CG2 4.46Å; I8-V393 HydrophobicContact CD1-CG2 4.17Å; I8-V393 HydrophobicContact CG1-CG2 3.27Å; V393-I422 HydrophobicContact CG2-CD1 4.1Å; V393-P433 HydrophobicContact CG1-CG 3.88Å; V393-L438 HydrophobicContact CG1-CD2 3.61Å; V393-I439 VanDerWaalsContact O-CG2 3.31Å; V393-I439 WeakPolarHBondContact O-CG2 3.18Å; V393-I439 PolarHBondContact O-N 2.74Å |
| 394 | R | 81.3 | Confident | 90.8 | Very high | 66 Ų | 66 | 28.1 Ų | 28.1 | 25% | 0.249 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -121.2 | -7.5 | -175.6 | -65.8 | -177.4 | 176.6 | 159.6 | -2.8 | 113.8 | E4 N396 E437 | E4-R394 PolarHBondContact O-NH1 2.9Å; R394-N396 PolarHBondContact O-N 2.7Å; R394-N396 VanDerWaalsContact O-N 3.17Å; R394-E437 IonicContact CZ-OE1 3.99Å; R394-E437 IonicContact NE-OE1 3.62Å; R394-E437 IonicContact NH2-OE1 3.95Å; R394-E437 PolarHBondContact NH2-OE1 2.96Å; R394-E437 IonicContact NH2-OE2 3.88Å |
| 395 | G | 77.5 | Confident | 90.7 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 76.7 | -11.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T397 I398 S399 | G395-T397 VanDerWaalsContact C-N 3.25Å; G395-T397 PolarHBondContact O-N 2.85Å; G395-T397 VanDerWaalsContact O-N 3.16Å; G395-I398 PolarHBondContact O-N 3.13Å; G395-S399 PolarHBondContact O-N 3.44Å |
| 396 | N | 78.8 | Confident | 90.5 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.2 | -174.1 | -65.8 | -20.3 | 0 | 0 | 0 | 115.3 | R394 P400 | R394-N396 PolarHBondContact O-N 2.7Å; R394-N396 VanDerWaalsContact O-N 3.17Å; N396-P400 WeakPolarHBondContact O-CD 3.49Å; N396-P400 VanDerWaalsContact O-CG 3.32Å; N396-P400 WeakPolarHBondContact O-CG 3.33Å |
| 397 | T | 81.3 | Confident | 90.3 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 44% | 0.442 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -45.1 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | G395 P400 I401 | G395-T397 VanDerWaalsContact C-N 3.25Å; G395-T397 PolarHBondContact O-N 2.85Å; G395-T397 VanDerWaalsContact O-N 3.16Å; T397-P400 WeakPolarHBondContact O-CD 2.82Å; T397-I401 HydrophobicContact CG2-CD1 4.05Å; T397-I401 WeakPolarHBondContact O-CD1 3.16Å; T397-I401 WeakPolarHBondContact O-CG1 3.49Å |
| 398 | I | 88.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.9 | -36 | -174.1 | -166.5 | 63.6 | 0 | 0 | 0 | 112.5 | V324 L387 I392 G395 I401 I402 I415 L452 | V324-I398 HydrophobicContact CG2-CD1 3.75Å; L387-I398 HydrophobicContact CD2-CD1 3.96Å; I392-I398 HydrophobicContact CD1-CG2 4.22Å; I392-I398 HydrophobicContact CG2-CG2 4.4Å; G395-I398 PolarHBondContact O-N 3.13Å; I398-I401 WeakPolarHBondContact O-CB 3.29Å; I398-I401 PolarHBondContact O-N 3.33Å; I398-I401 VanDerWaalsContact O-N 3.15Å; I398-I402 HydrophobicContact CG1-CD1 3.98Å; I398-I402 HydrophobicContact CG1-CG1 4.37Å; I398-I402 WeakPolarHBondContact O-CD1 3.32Å; I398-I402 WeakPolarHBondContact O-CG1 3.43Å; I398-I402 PolarHBondContact O-N 2.9Å; I398-I415 HydrophobicContact CD1-CD1 4.14Å; I398-I415 HydrophobicContact CG1-CD1 4.22Å; I398-I415 HydrophobicContact CG1-CG1 4.46Å; I398-L452 HydrophobicContact CG2-CD1 3.79Å; I398-L452 HydrophobicContact CG2-CD2 3.84Å; I398-L452 HydrophobicContact CG2-CG 4.38Å |
| 399 | S | 89.6 | Confident | 90 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 27% | 0.273 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -48.3 | -179.6 | 173.6 | 0 | 0 | 0 | 0 | 113 | G395 I401 I402 K403 L452 | G395-S399 PolarHBondContact O-N 3.44Å; S399-I401 VanDerWaalsContact C-N 3.29Å; S399-I401 PolarHBondContact O-N 2.87Å; S399-I402 PolarHBondContact O-N 3.29Å; S399-K403 PolarHBondContact O-N 2.94Å; S399-L452 PolarHBondContact OG-O 2.87Å |
| 400 | P | 88.8 | Confident | 90.1 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.5 | -34.7 | 172.4 | -26.1 | 35.1 | 0 | 0 | 0 | 114.1 | V369 N396 T397 K403 L404 | V369-P400 HydrophobicContact CB-CB 4.05Å; V369-P400 HydrophobicContact CG1-CB 4Å; V369-P400 HydrophobicContact CG2-CB 4.18Å; V369-P400 HydrophobicContact CG2-CG 4.19Å; N396-P400 WeakPolarHBondContact O-CD 3.49Å; N396-P400 VanDerWaalsContact O-CG 3.32Å; N396-P400 WeakPolarHBondContact O-CG 3.33Å; T397-P400 WeakPolarHBondContact O-CD 2.82Å; P400-K403 PolarHBondContact O-N 3.07Å; P400-L404 VanDerWaalsContact O-CB 3.22Å; P400-L404 WeakPolarHBondContact O-CB 3.36Å; P400-L404 PolarHBondContact O-N 2.85Å |
| 401 | I | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 176.7 | -68.2 | 169.6 | 0 | 0 | 0 | 110.5 | V324 L347 V369 F373 L387 T397 I398 S399 K403 L404 L405 | V324-I401 HydrophobicContact CG1-CD1 4.01Å; V324-I401 HydrophobicContact CG2-CD1 4.24Å; L347-I401 HydrophobicContact CD1-CG2 3.74Å; L347-I401 HydrophobicContact CD2-CG2 4.46Å; V369-I401 HydrophobicContact CG1-CG1 3.98Å; F373-I401 HydrophobicContact CD2-CD1 4.18Å; F373-I401 HydrophobicContact CD2-CG1 4.38Å; F373-I401 HydrophobicContact CE2-CD1 3.94Å; L387-I401 HydrophobicContact CD2-CG2 3.81Å; T397-I401 HydrophobicContact CG2-CD1 4.05Å; T397-I401 WeakPolarHBondContact O-CD1 3.16Å; T397-I401 WeakPolarHBondContact O-CG1 3.49Å; I398-I401 WeakPolarHBondContact O-CB 3.29Å; I398-I401 PolarHBondContact O-N 3.33Å; I398-I401 VanDerWaalsContact O-N 3.15Å; S399-I401 VanDerWaalsContact C-N 3.29Å; S399-I401 PolarHBondContact O-N 2.87Å; I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 PolarHBondContact O-N 3.31Å; I401-L404 PolarHBondContact O-N 2.77Å; I401-L405 HydrophobicContact CG2-CD1 4.17Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.43Å; I401-L405 PolarHBondContact O-N 2.78Å |
| 402 | I | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.5 | -48.3 | 177.3 | -67.2 | 155.7 | 0 | 0 | 0 | 110.5 | I398 S399 L404 L405 K406 V413 I415 L452 G453 A454 | I398-I402 HydrophobicContact CG1-CD1 3.98Å; I398-I402 HydrophobicContact CG1-CG1 4.37Å; I398-I402 WeakPolarHBondContact O-CD1 3.32Å; I398-I402 WeakPolarHBondContact O-CG1 3.43Å; I398-I402 PolarHBondContact O-N 2.9Å; S399-I402 PolarHBondContact O-N 3.29Å; I402-L404 VanDerWaalsContact C-N 3.32Å; I402-L404 PolarHBondContact O-N 2.74Å; I402-L405 PolarHBondContact O-N 3.41Å; I402-K406 HydrophobicContact CG2-CD 4.28Å; I402-K406 WeakPolarHBondContact O-CG 3.41Å; I402-K406 PolarHBondContact O-N 3.19Å; I402-V413 HydrophobicContact CG1-CG1 4.2Å; I402-V413 HydrophobicContact CG2-CB 4.29Å; I402-V413 HydrophobicContact CG2-CG1 4.25Å; I402-I415 HydrophobicContact CD1-CD1 4Å; I402-I415 HydrophobicContact CD1-CG1 3.88Å; I402-I415 HydrophobicContact CG1-CD1 3.82Å; I402-I415 HydrophobicContact CG1-CG1 4.24Å; I402-L452 HydrophobicContact CD1-CB 3.83Å; I402-G453 VanDerWaalsContact CG2-O 3.25Å; I402-G453 WeakPolarHBondContact CG2-O 3.17Å; I402-A454 HydrophobicContact CD1-CB 3.95Å |
| 403 | K | 92.5 | Very high | 91 | Very high | 126 Ų | 126 | 45.8 Ų | 45.8 | 55% | 0.548 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57 | -47.6 | 177.8 | -179.7 | 174.7 | 174.7 | 176.3 | 0 | 111.2 | S399 P400 I401 L405 K406 E407 | S399-K403 PolarHBondContact O-N 2.94Å; P400-K403 PolarHBondContact O-N 3.07Å; I401-K403 VanDerWaalsContact C-N 3.33Å; I401-K403 PolarHBondContact O-N 3.31Å; K403-L405 PolarHBondContact O-N 3.42Å; K403-K406 PolarHBondContact O-N 3.03Å; K403-E407 WeakPolarHBondContact CE-OE1 3.33Å; K403-E407 HydrophobicContact CG-CG 4.36Å; K403-E407 IonicContact NZ-OE1 3.82Å; K403-E407 WeakPolarHBondContact O-CB 3.26Å; K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.21Å |
| 404 | L | 91.5 | Very high | 91.5 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | -180 | 178.7 | 62.6 | 0 | 0 | 0 | 112.6 | V375 P400 I401 I402 S408 | V375-L404 HydrophobicContact CG2-CD1 3.67Å; V375-L404 HydrophobicContact CG2-CD2 3.38Å; V375-L404 HydrophobicContact CG2-CG 3.31Å; P400-L404 VanDerWaalsContact O-CB 3.22Å; P400-L404 WeakPolarHBondContact O-CB 3.36Å; P400-L404 PolarHBondContact O-N 2.85Å; I401-L404 PolarHBondContact O-N 2.77Å; I402-L404 VanDerWaalsContact C-N 3.32Å; I402-L404 PolarHBondContact O-N 2.74Å; L404-S408 VanDerWaalsContact O-CB 3.27Å; L404-S408 WeakPolarHBondContact O-CB 3.47Å; L404-S408 PolarHBondContact O-N 2.66Å; L404-S408 PolarHBondContact O-OG 2.85Å |
| 405 | L | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.6 | -68.1 | 175.8 | 0 | 0 | 0 | 111.9 | V346 L347 V375 F380 L387 I401 I402 K403 S408 G409 A410 V413 | V346-L405 HydrophobicContact CB-CD2 4.19Å; V346-L405 HydrophobicContact CG2-CD1 4.3Å; V346-L405 HydrophobicContact CG2-CD2 3.91Å; L347-L405 HydrophobicContact CD2-CD2 4.08Å; V375-L405 HydrophobicContact CG1-CD2 4.33Å; F380-L405 HydrophobicContact CE1-CD2 3.88Å; F380-L405 HydrophobicContact CE2-CD2 4.17Å; F380-L405 WeakPolarHBondContact CE2-O 3.35Å; F380-L405 HydrophobicContact CZ-CD2 3.56Å; L387-L405 HydrophobicContact CD1-CD1 4.44Å; L387-L405 HydrophobicContact CD2-CD1 3.92Å; I401-L405 HydrophobicContact CG2-CD1 4.17Å; I401-L405 HydrophobicContact CG2-CG 4.48Å; I401-L405 WeakPolarHBondContact O-CG 3.43Å; I401-L405 PolarHBondContact O-N 2.78Å; I402-L405 PolarHBondContact O-N 3.41Å; K403-L405 PolarHBondContact O-N 3.42Å; L405-S408 CarbonylContact O-C 3.55Å; L405-S408 PolarHBondContact O-N 3.01Å; L405-G409 PolarHBondContact O-N 3.29Å; L405-A410 HydrophobicContact CB-CB 4.36Å; L405-A410 VanDerWaalsContact O-CB 3.28Å; L405-A410 WeakPolarHBondContact O-CB 3.44Å; L405-A410 PolarHBondContact O-N 2.95Å; L405-V413 HydrophobicContact CB-CG2 4.21Å; L405-V413 HydrophobicContact CD1-CG1 4.46Å |
| 406 | K | 95.2 | Very high | 93.3 | Very high | 76 Ų | 76 | 42.6 Ų | 42.6 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.5 | -73.3 | -173.8 | 170.7 | -171.3 | 0 | 112.1 | I402 K403 S408 G409 V413 G453 N455 | I402-K406 HydrophobicContact CG2-CD 4.28Å; I402-K406 WeakPolarHBondContact O-CG 3.41Å; I402-K406 PolarHBondContact O-N 3.19Å; K403-K406 PolarHBondContact O-N 3.03Å; K406-S408 PolarHBondContact O-N 2.91Å; K406-G409 PolarHBondContact O-N 3.2Å; K406-V413 HydrophobicContact CG-CG2 3.89Å; K406-G453 VanDerWaalsContact CE-O 3.31Å; K406-G453 WeakPolarHBondContact CE-O 3.38Å; K406-G453 PolarHBondContact NZ-O 3.21Å; K406-N455 WeakPolarHBondContact CE-OD1 3.24Å; K406-N455 PolarHBondContact NZ-OD1 3.15Å; K406-N455 VanDerWaalsContact NZ-OD1 3.12Å |
| 407 | E | 94.4 | Very high | 94.3 | Very high | 137 Ų | 137 | 38.5 Ų | 38.5 | 64% | 0.64 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.8 | -28.6 | 175.9 | -73 | 176.3 | 167.8 | 0 | 0 | 112.4 | K403 G409 | K403-E407 WeakPolarHBondContact CE-OE1 3.33Å; K403-E407 HydrophobicContact CG-CG 4.36Å; K403-E407 IonicContact NZ-OE1 3.82Å; K403-E407 WeakPolarHBondContact O-CB 3.26Å; K403-E407 WeakPolarHBondContact O-CG 3.21Å; K403-E407 PolarHBondContact O-N 3.21Å; E407-G409 VanDerWaalsContact C-N 3.27Å; E407-G409 PolarHBondContact O-N 3.16Å |
| 408 | S | 95 | Very high | 95 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.9 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | L404 L405 K406 | L404-S408 VanDerWaalsContact O-CB 3.27Å; L404-S408 WeakPolarHBondContact O-CB 3.47Å; L404-S408 PolarHBondContact O-N 2.66Å; L404-S408 PolarHBondContact O-OG 2.85Å; L405-S408 CarbonylContact O-C 3.55Å; L405-S408 PolarHBondContact O-N 3.01Å; K406-S408 PolarHBondContact O-N 2.91Å |
| 409 | G | 96.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 35.4 Ų | 35.4 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 102.4 | 15.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116 | G382 L405 K406 E407 | G382-G409 PolarHBondContact N-O 3.24Å; L405-G409 PolarHBondContact O-N 3.29Å; K406-G409 PolarHBondContact O-N 3.2Å; E407-G409 VanDerWaalsContact C-N 3.27Å; E407-G409 PolarHBondContact O-N 3.16Å |
| 410 | A | 97.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -64.5 | 134.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F380 I385 L405 V413 | F380-A410 HydrophobicContact CD2-CB 3.94Å; F380-A410 HydrophobicContact CE2-CB 4Å; I385-A410 HydrophobicContact CD1-CB 3.64Å; I385-A410 HydrophobicContact CG1-CB 4.41Å; L405-A410 HydrophobicContact CB-CB 4.36Å; L405-A410 VanDerWaalsContact O-CB 3.28Å; L405-A410 WeakPolarHBondContact O-CB 3.44Å; L405-A410 PolarHBondContact O-N 2.95Å; A410-V413 HydrophobicContact CB-CG2 3.86Å | ||
| 411 | K | 98.1 | Very high | 96.2 | Very high | 133 Ų | 133 | 32.6 Ų | 32.6 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -72.8 | -47.3 | 177.8 | -174 | -170.7 | 170.9 | -173.1 | 0 | 111.1 | K383 R384 | K383-K411 PolarHBondContact O-N 3.4Å; R384-K411 HydrophobicContact CG-CD 4.11Å |
| 412 | E | 98.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 32.7 Ų | 32.7 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 146.8 | 178.9 | -59.3 | 176.5 | -140.2 | 0 | 0 | 109.1 | R384 I385 H414 N455 | R384-E412 HydrophobicContact CB-CB 4.2Å; R384-E412 HydrophobicContact CG-CB 3.97Å; R384-E412 HydrophobicContact CG-CG 4.04Å; I385-E412 PolarHBondContact N-O 3.49Å; E412-H414 IonicContact OE2-CE1 3.63Å; E412-H414 PolarHBondContact OE2-CE1 3.32Å; E412-H414 IonicContact OE2-NE2 3.4Å; E412-H414 PolarHBondContact OE2-NE2 3.42Å; E412-N455 WeakPolarHBondContact CA-OD1 3.27Å; E412-N455 HydrophobicContact CB-CB 4.37Å |
| 413 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 109.8 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | I402 L405 K406 A410 I415 N455 | I402-V413 HydrophobicContact CG1-CG1 4.2Å; I402-V413 HydrophobicContact CG2-CB 4.29Å; I402-V413 HydrophobicContact CG2-CG1 4.25Å; L405-V413 HydrophobicContact CB-CG2 4.21Å; L405-V413 HydrophobicContact CD1-CG1 4.46Å; K406-V413 HydrophobicContact CG-CG2 3.89Å; A410-V413 HydrophobicContact CB-CG2 3.86Å; V413-I415 HydrophobicContact CG1-CD1 4.01Å; V413-N455 PolarHBondContact N-OD1 3.26Å; V413-N455 PolarHBondContact O-N 3.13Å |
| 414 | H | 98.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | 177 | -55.9 | -85.9 | 0 | 0 | 0 | 109.3 | V316 I385 V386 L387 E412 S456 | V316-H414 HydrophobicContact CG1-CB 4.11Å; I385-H414 PolarHBondContact O-N 3.26Å; V386-H414 CarbonylContact C-O 3.6Å; V386-H414 WeakPolarHBondContact CA-O 3.43Å; V386-H414 HydrophobicContact CG2-CB 4.45Å; L387-H414 PolarHBondContact N-O 3.29Å; E412-H414 IonicContact OE2-CE1 3.63Å; E412-H414 PolarHBondContact OE2-CE1 3.32Å; E412-H414 IonicContact OE2-NE2 3.4Å; E412-H414 PolarHBondContact OE2-NE2 3.42Å; H414-S456 WeakPolarHBondContact CB-OG 3.4Å; H414-S456 PolarHBondContact ND1-OG 3.12Å |
| 415 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.2 | 176.2 | -54.1 | -53.1 | 0 | 0 | 0 | 109.7 | L387 I392 I398 I402 V413 V417 A454 S456 V457 I458 | L387-I415 HydrophobicContact CB-CD1 3.86Å; L387-I415 HydrophobicContact CD2-CD1 3.97Å; L387-I415 HydrophobicContact CG-CD1 4.4Å; L387-I415 WeakPolarHBondContact O-CA 3.25Å; I392-I415 HydrophobicContact CD1-CG2 4.23Å; I398-I415 HydrophobicContact CD1-CD1 4.14Å; I398-I415 HydrophobicContact CG1-CD1 4.22Å; I398-I415 HydrophobicContact CG1-CG1 4.46Å; I402-I415 HydrophobicContact CD1-CD1 4Å; I402-I415 HydrophobicContact CD1-CG1 3.88Å; I402-I415 HydrophobicContact CG1-CD1 3.82Å; I402-I415 HydrophobicContact CG1-CG1 4.24Å; V413-I415 HydrophobicContact CG1-CD1 4.01Å; I415-V417 HydrophobicContact CG2-CG2 4.02Å; I415-A454 HydrophobicContact CG1-CB 3.89Å; I415-S456 PolarHBondContact N-O 3.39Å; I415-V457 HydrophobicContact CB-CB 4.34Å; I415-V457 HydrophobicContact CB-CG1 4.15Å; I415-V457 HydrophobicContact CB-CG2 3.98Å; I415-V457 HydrophobicContact CG1-CG2 4.2Å; I415-V457 HydrophobicContact CG2-CG1 4.16Å; I415-V457 WeakPolarHBondContact O-CA 3.37Å; I415-I458 PolarHBondContact O-N 2.97Å; I415-I458 VanDerWaalsContact O-N 3.12Å |
| 416 | R | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.3 | 169.6 | -66 | -65.7 | -180 | -86.6 | 3.7 | 108.3 | L310 A314 V316 Y335 V386 L387 I388 D389 S456 I458 | L310-R416 HydrophobicContact CD2-CB 3.69Å; L310-R416 HydrophobicContact CG-CB 4.15Å; A314-R416 PolarHBondContact O-NE 2.88Å; A314-R416 PolarHBondContact O-NH2 3.06Å; V316-R416 VanDerWaalsContact CB-NH2 3.34Å; Y335-R416 HydrophobicContact CE2-CB 4.41Å; Y335-R416 HydrophobicContact CE2-CG 3.92Å; V386-R416 HydrophobicContact CG1-CB 4.27Å; V386-R416 HydrophobicContact CG1-CG 3.65Å; L387-R416 PolarHBondContact O-N 2.81Å; I388-R416 VanDerWaalsContact CA-O 3.28Å; I388-R416 WeakPolarHBondContact CA-O 3.41Å; I388-R416 HydrophobicContact CD1-CB 3.48Å; I388-R416 VanDerWaalsContact CD1-CB 3.48Å; I388-R416 HydrophobicContact CD1-CG 4.19Å; D389-R416 PolarHBondContact N-O 2.85Å; R416-S456 PolarHBondContact NH1-OG 3.25Å; R416-I458 VanDerWaalsContact CA-O 3.32Å; R416-I458 WeakPolarHBondContact CA-O 3.45Å |
| 417 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.4 | -175.6 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | D389 I392 I415 S419 I458 Y459 L460 | D389-V417 CarbonylContact O-C 3.55Å; D389-V417 WeakPolarHBondContact O-CA 3.48Å; I392-V417 HydrophobicContact CD1-CG2 3.51Å; I392-V417 HydrophobicContact CG1-CG1 4.4Å; I392-V417 HydrophobicContact CG1-CG2 3.87Å; I415-V417 HydrophobicContact CG2-CG2 4.02Å; V417-S419 PolarHBondContact O-N 3.32Å; V417-I458 PolarHBondContact N-O 3.1Å; V417-Y459 HydrophobicContact CB-CD1 3.54Å; V417-Y459 HydrophobicContact CB-CE1 3.89Å; V417-Y459 HydrophobicContact CB-CG 4.05Å; V417-Y459 HydrophobicContact CG1-CD1 3.71Å; V417-Y459 HydrophobicContact CG1-CE1 3.84Å; V417-Y459 HydrophobicContact CG2-CD1 3.85Å; V417-Y459 HydrophobicContact CG2-CE1 3.77Å; V417-Y459 HydrophobicContact CG2-CE2 4.49Å; V417-Y459 HydrophobicContact CG2-CG 4.26Å; V417-L460 PolarHBondContact O-N 2.92Å |
| 418 | A | 97.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -76.6 | 15.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L310 A331 I388 D389 | L310-A418 HydrophobicContact CD2-CB 4.46Å; A331-A418 HydrophobicContact CB-CB 3.63Å; I388-A418 HydrophobicContact CG2-CB 4.31Å; D389-A418 PolarHBondContact O-N 3.31Å |
| 419 | S | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -138.1 | 161.6 | 170.6 | 82.5 | 0 | 0 | 0 | 0 | 110.2 | D390 V417 Y459 | D390-S419 VanDerWaalsContact O-CB 3.24Å; D390-S419 WeakPolarHBondContact O-CB 3.39Å; D390-S419 PolarHBondContact O-N 2.89Å; D390-S419 PolarHBondContact O-OG 3.38Å; D390-S419 VanDerWaalsContact O-OG 3.13Å; V417-S419 PolarHBondContact O-N 3.32Å; S419-Y459 WeakPolarHBondContact O-CD1 3.43Å |
| 420 | P | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | trans | -67.4 | 164.3 | 166.5 | -19.5 | 33.5 | 0 | 0 | 0 | 112.6 | L460 V462 L465 L507 | P420-L460 WeakPolarHBondContact CA-O 3.35Å; P420-L460 WeakPolarHBondContact CB-O 3.45Å; P420-L460 WeakPolarHBondContact CG-O 3.45Å; P420-V462 HydrophobicContact CB-CG2 3.74Å; P420-V462 HydrophobicContact CG-CB 4.3Å; P420-V462 HydrophobicContact CG-CG2 3.81Å; P420-L465 VanDerWaalsContact CD-CD2 3.44Å; P420-L465 HydrophobicContact CG-CB 4.16Å; P420-L465 HydrophobicContact CG-CD2 4.11Å; P420-L507 HydrophobicContact CB-CD1 4.29Å; P420-L507 HydrophobicContact CB-CD2 4.18Å; P420-L507 HydrophobicContact CG-CD1 3.92Å | ||
| 421 | P | 96 | Very high | 94.1 | Very high | 25 Ų | 25 | 25.8 Ų | 25.8 | 16% | 0.162 | 12% | 0.122 | C | C | . | . | trans | -61.9 | 135.1 | 174.1 | -18.7 | 30.9 | 0 | 0 | 0 | 111.5 | K423 A440 F445 Y459 | P421-K423 PolarHBondContact O-N 3.27Å; P421-A440 HydrophobicContact CB-CB 3.8Å; P421-F445 HydrophobicContact CB-CE2 4.11Å; P421-F445 HydrophobicContact CB-CZ 3.75Å; P421-F445 HydrophobicContact CG-CE2 4.3Å; P421-F445 HydrophobicContact CG-CZ 3.63Å; P421-Y459 HydrophobicContact CB-CD1 4.32Å; P421-Y459 HydrophobicContact CB-CE1 4.33Å; P421-Y459 HydrophobicContact CG-CD1 3.84Å; P421-Y459 HydrophobicContact CG-CD2 3.98Å; P421-Y459 HydrophobicContact CG-CE1 4.26Å; P421-Y459 HydrophobicContact CG-CE2 4.38Å; P421-Y459 HydrophobicContact CG-CG 3.7Å | ||
| 422 | I | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | trans | -87 | 113.3 | -179.8 | -54.8 | 171 | 0 | 0 | 0 | 108.3 | I8 F282 V393 I432 L438 A440 C506 L507 | I8-I422 HydrophobicContact CD1-CD1 3.22Å; I8-I422 HydrophobicContact CG1-CD1 3.88Å; F282-I422 HydrophobicContact CE1-CD1 3.95Å; F282-I422 HydrophobicContact CE1-CG1 4.37Å; F282-I422 HydrophobicContact CZ-CD1 3.95Å; F282-I422 HydrophobicContact CZ-CG1 3.89Å; V393-I422 HydrophobicContact CG2-CD1 4.1Å; I422-I432 HydrophobicContact CG2-CD1 4.2Å; I422-I432 HydrophobicContact CG2-CG2 3.98Å; I422-L438 HydrophobicContact CG2-CD1 4.23Å; I422-L438 HydrophobicContact CG2-CD2 4.1Å; I422-A440 VanDerWaalsContact O-CB 3.3Å; I422-A440 WeakPolarHBondContact O-CB 3.3Å; I422-C506 HydrophobicContact CG2-CB 4.33Å; I422-L507 HydrophobicContact CG1-CD2 4.31Å | ||
| 423 | K | 94.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 18.1 Ų | 18.1 | 36% | 0.357 | 9% | 0.089 | S | C | . | . | trans | -113 | -15 | -171.9 | -69.7 | 179.3 | 178.4 | -178.5 | 0 | 113.5 | P421 A440 N441 C506 | P421-K423 PolarHBondContact O-N 3.27Å; K423-A440 HydrophobicContact CG-CB 4Å; K423-N441 PolarHBondContact O-ND2 3.46Å; K423-C506 PolarHBondContact N-O 3.34Å | ||
| 424 | Y | 95.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 21.3 Ų | 21.3 | 28% | 0.278 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -134.3 | 148.1 | -174.7 | -56.3 | -92.5 | 0 | 0 | 0 | 110.8 | C506 G509 | Y424-C506 PolarHBondContact N-O 2.79Å; Y424-C506 WeakPolarHBondContact O-CA 3.45Å; Y424-G509 VanDerWaalsContact CD2-CA 3.49Å |
| 425 | P | 92.2 | Very high | 92 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | trans | -63 | 171.4 | 171.7 | 28.6 | -35.4 | 0 | 0 | 0 | 111.4 | F427 Y511 | P425-F427 HydrophobicContact CB-CE1 4.43Å; P425-F427 HydrophobicContact CB-CE2 4.48Å; P425-F427 HydrophobicContact CB-CZ 4.1Å; P425-F427 HydrophobicContact CG-CE1 4.3Å; P425-F427 HydrophobicContact CG-CE2 3.8Å; P425-F427 HydrophobicContact CG-CZ 3.52Å; P425-Y511 PolarHBondContact O-OH 3.04Å | ||
| 426 | C | 90.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | trans | -113.7 | 142.8 | 168.4 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | M428 I430 I432 C506 | C426-M428 PolarHBondContact SG-N 2.87Å; C426-M428 VanDerWaalsContact SG-N 3.42Å; C426-I430 HydrophobicContact CB-CB 3.82Å; C426-I430 WeakPolarHBondContact CB-O 3.31Å; C426-I432 HydrophobicContact CB-CB 4.37Å; C426-I432 HydrophobicContact CB-CD1 3.83Å; C426-I432 HydrophobicContact CB-CG1 3.81Å; C426-C506 VanDerWaalsContact CB-SG 3.58Å | ||
| 427 | F | 89.7 | Confident | 91 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 30% | 0.303 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -123.4 | 22.2 | 176.8 | -56.4 | -68 | 0 | 0 | 0 | 111.4 | V126 P425 Y511 L515 | V126-F427 WeakPolarHBondContact CG1-O 3.38Å; P425-F427 HydrophobicContact CB-CE1 4.43Å; P425-F427 HydrophobicContact CB-CE2 4.48Å; P425-F427 HydrophobicContact CB-CZ 4.1Å; P425-F427 HydrophobicContact CG-CE1 4.3Å; P425-F427 HydrophobicContact CG-CE2 3.8Å; P425-F427 HydrophobicContact CG-CZ 3.52Å; F427-Y511 HydrophobicContact CD2-CD1 4.43Å; F427-Y511 AromaticContact CD2-CE1 3.59Å; F427-Y511 HydrophobicContact CD2-CE1 3.59Å; F427-Y511 AromaticContact CD2-CZ 3.76Å; F427-Y511 HydrophobicContact CE2-CE1 4.18Å; F427-Y511 AromaticContact CE2-CZ 3.86Å; F427-Y511 WeakPolarHBondContact CE2-OH 3.42Å; F427-L515 HydrophobicContact CB-CD2 4.33Å; F427-L515 HydrophobicContact CD2-CD1 3.49Å; F427-L515 VanDerWaalsContact CD2-CD1 3.49Å; F427-L515 HydrophobicContact CD2-CD2 4.16Å; F427-L515 HydrophobicContact CD2-CG 4.47Å; F427-L515 HydrophobicContact CE2-CD1 3.68Å |
| 428 | M | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -129.3 | 23.3 | -169.1 | -69.9 | 171.5 | -70.8 | 0 | 0 | 111 | V126 T182 A183 R204 C426 C503 A505 Y511 P512 | V126-M428 HydrophobicContact CG1-CG 3.91Å; T182-M428 HydrophobicContact CG2-CG 4.32Å; T182-M428 HydrophobicContact CG2-SD 4.24Å; A183-M428 HydrophobicContact CB-CB 3.59Å; A183-M428 HydrophobicContact CB-CG 3.99Å; A183-M428 WeakPolarHBondContact CB-O 3.43Å; R204-M428 PolarHBondContact NE-O 3.42Å; R204-M428 PolarHBondContact NH2-O 2.86Å; C426-M428 PolarHBondContact SG-N 2.87Å; C426-M428 VanDerWaalsContact SG-N 3.42Å; M428-C503 WeakPolarHBondContact CE-SG 3.27Å; M428-A505 HydrophobicContact CE-CB 3.83Å; M428-Y511 HydrophobicContact CE-CD1 3.69Å; M428-Y511 HydrophobicContact CE-CE1 4.08Å; M428-P512 HydrophobicContact SD-CG 3.81Å |
| 429 | G | 82.3 | Confident | 90.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 101.9 | 21 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E11 E124 | E11-G429 WeakPolarHBondContact CB-O 3.48Å; E11-G429 VanDerWaalsContact CG-O 3.26Å; E11-G429 WeakPolarHBondContact CG-O 3.24Å; E11-G429 PolarHBondContact N-O 2.86Å; E11-G429 VanDerWaalsContact N-O 3.16Å; E124-G429 VanDerWaalsContact CB-N 3.26Å; E124-G429 PolarHBondContact OE2-N 3.37Å |
| 430 | I | 85.1 | Confident | 90 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.1 | 169.3 | -61.1 | 167.2 | 0 | 0 | 0 | 108.5 | I8 R9 C280 F282 F287 C426 I432 | I8-I430 HydrophobicContact CG2-CG2 3.37Å; R9-I430 WeakPolarHBondContact O-CG2 3.38Å; C280-I430 WeakPolarHBondContact SG-CD1 3.42Å; F282-I430 HydrophobicContact CB-CD1 3.71Å; F282-I430 HydrophobicContact CG-CD1 4.34Å; F287-I430 HydrophobicContact CD2-CD1 4.21Å; F287-I430 HydrophobicContact CD2-CG1 4.47Å; F287-I430 HydrophobicContact CE2-CB 4.36Å; F287-I430 HydrophobicContact CE2-CD1 3.65Å; F287-I430 HydrophobicContact CE2-CG1 3.81Å; F287-I430 HydrophobicContact CE2-CG2 3.57Å; F287-I430 HydrophobicContact CZ-CG1 4.38Å; F287-I430 HydrophobicContact CZ-CG2 3.46Å; F287-I430 VanDerWaalsContact CZ-CG2 3.46Å; C426-I430 HydrophobicContact CB-CB 3.82Å; C426-I430 WeakPolarHBondContact CB-O 3.31Å; I430-I432 HydrophobicContact CB-CG1 4.27Å; I430-I432 HydrophobicContact CG2-CD1 4.12Å; I430-I432 HydrophobicContact CG2-CG1 3.58Å; I430-I432 PolarHBondContact O-N 3.21Å |
| 431 | N | 84 | Confident | 89.8 | Confident | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 88.8 | 175.2 | -170.1 | -10 | 0 | 0 | 0 | 109.4 | R9 A95 T96 | R9-N431 HydrophobicContact CB-CB 4.3Å; R9-N431 PolarHBondContact O-N 3.27Å; A95-N431 PolarHBondContact O-ND2 2.88Å; T96-N431 HydrophobicContact CG2-CB 3.78Å |
| 432 | I | 85.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -103.2 | 131.5 | 170.6 | -54.3 | -163.6 | 0 | 0 | 0 | 108.1 | I8 I422 C426 I430 L438 C506 | I8-I432 HydrophobicContact CG2-CD1 4.06Å; I8-I432 HydrophobicContact CG2-CG1 3.77Å; I422-I432 HydrophobicContact CG2-CD1 4.2Å; I422-I432 HydrophobicContact CG2-CG2 3.98Å; C426-I432 HydrophobicContact CB-CB 4.37Å; C426-I432 HydrophobicContact CB-CD1 3.83Å; C426-I432 HydrophobicContact CB-CG1 3.81Å; I430-I432 HydrophobicContact CB-CG1 4.27Å; I430-I432 HydrophobicContact CG2-CD1 4.12Å; I430-I432 HydrophobicContact CG2-CG1 3.58Å; I430-I432 PolarHBondContact O-N 3.21Å; I432-L438 HydrophobicContact CG2-CD1 4.34Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; I432-C506 HydrophobicContact CD1-CB 3.61Å; I432-C506 WeakPolarHBondContact CD1-SG 3.41Å |
| 433 | P | 85.5 | Confident | 89.1 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 167.9 | 175.7 | -27.3 | 36.1 | 0 | 0 | 0 | 114.1 | V393 E437 L438 | V393-P433 HydrophobicContact CG1-CG 3.88Å; P433-E437 HydrophobicContact CB-CB 3.7Å; P433-E437 HydrophobicContact CB-CG 4.48Å; P433-E437 WeakPolarHBondContact CB-OE2 3.38Å; P433-L438 HydrophobicContact CB-CD2 4.45Å |
| 434 | T | 87.9 | Confident | 88.7 | Confident | 68 Ų | 68 | 44.9 Ų | 44.9 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 161.5 | 178.2 | 81.2 | 0 | 0 | 0 | 0 | 111.4 | E436 E437 L438 | T434-E436 VanDerWaalsContact CB-OE2 3.3Å; T434-E436 WeakPolarHBondContact CB-OE2 3.5Å; T434-E436 PolarHBondContact O-N 3.1Å; T434-E436 VanDerWaalsContact O-N 3.12Å; T434-E436 PolarHBondContact OG1-OE2 3.01Å; T434-E437 PolarHBondContact N-OE2 2.95Å; T434-E437 VanDerWaalsContact N-OE2 3.09Å; T434-E437 WeakPolarHBondContact O-CB 3.18Å; T434-E437 PolarHBondContact O-N 3.43Å; T434-L438 WeakPolarHBondContact O-CG 3.36Å; T434-L438 PolarHBondContact O-N 2.82Å |
| 435 | K | 90.3 | Very high | 88.4 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -37.5 | -177.6 | -167.9 | 179.4 | -179 | -177.3 | 0 | 112.3 | E437 N441 | K435-E437 VanDerWaalsContact C-N 3.32Å; K435-N441 WeakPolarHBondContact CG-ND2 2.87Å; K435-N441 WeakPolarHBondContact O-CB 3.38Å; K435-N441 PolarHBondContact O-ND2 3.26Å |
| 436 | E | 88.9 | Confident | 88.2 | Confident | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.7 | -179 | -56 | 69.1 | -144.7 | 0 | 0 | 112.6 | T434 K442 | T434-E436 VanDerWaalsContact CB-OE2 3.3Å; T434-E436 WeakPolarHBondContact CB-OE2 3.5Å; T434-E436 PolarHBondContact O-N 3.1Å; T434-E436 VanDerWaalsContact O-N 3.12Å; T434-E436 PolarHBondContact OG1-OE2 3.01Å; E436-K442 WeakPolarHBondContact O-CE 3.32Å |
| 437 | E | 86.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 55.5 Ų | 55.5 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -23.3 | 179.6 | -66.1 | -174.9 | 91.3 | 0 | 0 | 112.9 | R394 P433 T434 K435 | R394-E437 IonicContact CZ-OE1 3.99Å; R394-E437 IonicContact NE-OE1 3.62Å; R394-E437 IonicContact NH2-OE1 3.95Å; R394-E437 PolarHBondContact NH2-OE1 2.96Å; R394-E437 IonicContact NH2-OE2 3.88Å; P433-E437 HydrophobicContact CB-CB 3.7Å; P433-E437 HydrophobicContact CB-CG 4.48Å; P433-E437 WeakPolarHBondContact CB-OE2 3.38Å; T434-E437 PolarHBondContact N-OE2 2.95Å; T434-E437 VanDerWaalsContact N-OE2 3.09Å; T434-E437 WeakPolarHBondContact O-CB 3.18Å; T434-E437 PolarHBondContact O-N 3.43Å; K435-E437 VanDerWaalsContact C-N 3.32Å |
| 438 | L | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.8 | 125 | -179.2 | -64.9 | 173.2 | 0 | 0 | 0 | 111.2 | V393 I422 I432 P433 T434 A440 N441 | V393-L438 HydrophobicContact CG1-CD2 3.61Å; I422-L438 HydrophobicContact CG2-CD1 4.23Å; I422-L438 HydrophobicContact CG2-CD2 4.1Å; I432-L438 HydrophobicContact CG2-CD1 4.34Å; I432-L438 HydrophobicContact CG2-CD2 3.87Å; P433-L438 HydrophobicContact CB-CD2 4.45Å; T434-L438 WeakPolarHBondContact O-CG 3.36Å; T434-L438 PolarHBondContact O-N 2.82Å; L438-A440 PolarHBondContact O-N 3.28Å; L438-A440 VanDerWaalsContact O-N 3.15Å; L438-N441 PolarHBondContact O-N 2.92Å; L438-N441 VanDerWaalsContact O-N 3.08Å |
| 439 | I | 90.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57.7 | -33.3 | -178.6 | -165.8 | 166 | 0 | 0 | 0 | 112.2 | I392 V393 N441 K442 F445 L448 Y451 L452 | I392-I439 HydrophobicContact CG2-CG2 4.08Å; V393-I439 VanDerWaalsContact O-CG2 3.31Å; V393-I439 WeakPolarHBondContact O-CG2 3.18Å; V393-I439 PolarHBondContact O-N 2.74Å; I439-N441 PolarHBondContact O-N 3.25Å; I439-N441 VanDerWaalsContact O-N 3.12Å; I439-K442 PolarHBondContact O-N 2.93Å; I439-K442 VanDerWaalsContact O-N 3.09Å; I439-F445 WeakPolarHBondContact O-CB 3.43Å; I439-L448 HydrophobicContact CD1-CD1 3.45Å; I439-L448 VanDerWaalsContact CD1-CD1 3.45Å; I439-L448 HydrophobicContact CG1-CD1 3.99Å; I439-Y451 HydrophobicContact CD1-CD1 3.87Å; I439-Y451 HydrophobicContact CD1-CE1 3.61Å; I439-L452 HydrophobicContact CD1-CD2 4.43Å |
| 440 | A | 91.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 61 Ų | 61 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.5 | -14 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P421 I422 K423 L438 F445 | P421-A440 HydrophobicContact CB-CB 3.8Å; I422-A440 VanDerWaalsContact O-CB 3.3Å; I422-A440 WeakPolarHBondContact O-CB 3.3Å; K423-A440 HydrophobicContact CG-CB 4Å; L438-A440 PolarHBondContact O-N 3.28Å; L438-A440 VanDerWaalsContact O-N 3.15Å; A440-F445 VanDerWaalsContact CA-CD2 3.49Å; A440-F445 HydrophobicContact CB-CD2 4.12Å; A440-F445 HydrophobicContact CB-CE2 4.03Å; A440-F445 HydrophobicContact CB-CZ 4.4Å |
| 441 | N | 92.9 | Very high | 89.5 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -106.9 | 1.1 | 178.1 | -63.4 | -39.7 | 0 | 0 | 0 | 113 | K423 K435 L438 I439 | K423-N441 PolarHBondContact O-ND2 3.46Å; K435-N441 WeakPolarHBondContact CG-ND2 2.87Å; K435-N441 WeakPolarHBondContact O-CB 3.38Å; K435-N441 PolarHBondContact O-ND2 3.26Å; L438-N441 PolarHBondContact O-N 2.92Å; L438-N441 VanDerWaalsContact O-N 3.08Å; I439-N441 PolarHBondContact O-N 3.25Å; I439-N441 VanDerWaalsContact O-N 3.12Å |
| 442 | K | 90.8 | Very high | 89.9 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -96.5 | 156 | -179.3 | -56.2 | -174.6 | 176.1 | 179.9 | 0 | 111 | E436 I439 E444 F445 | E436-K442 WeakPolarHBondContact O-CE 3.32Å; I439-K442 PolarHBondContact O-N 2.93Å; I439-K442 VanDerWaalsContact O-N 3.09Å; K442-E444 WeakPolarHBondContact CB-OE2 3.32Å; K442-E444 PolarHBondContact O-N 3.04Å; K442-E444 VanDerWaalsContact O-N 3.13Å; K442-F445 VanDerWaalsContact O-CB 3.26Å; K442-F445 WeakPolarHBondContact O-CB 3.18Å; K442-F445 PolarHBondContact O-N 3.08Å |
| 443 | P | 86.4 | Confident | 90.3 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 66% | 0.656 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -54.2 | -32.6 | 177.2 | -25.5 | 34.8 | 0 | 0 | 0 | 113.3 | F445 E446 | P443-F445 PolarHBondContact O-N 3.45Å; P443-F445 VanDerWaalsContact O-N 3.09Å; P443-E446 PolarHBondContact O-N 3.47Å |
| 444 | E | 86.1 | Confident | 90.8 | Very high | 75 Ų | 75 | 65 Ų | 65 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -61.5 | -18.5 | 178.7 | -60.4 | 94 | 147.8 | 0 | 0 | 113.4 | K442 E446 H447 L448 Y451 | K442-E444 WeakPolarHBondContact CB-OE2 3.32Å; K442-E444 PolarHBondContact O-N 3.04Å; K442-E444 VanDerWaalsContact O-N 3.13Å; E444-E446 VanDerWaalsContact C-N 3.32Å; E444-E446 PolarHBondContact O-N 2.99Å; E444-H447 CarbonylContact O-C 3.6Å; E444-H447 VanDerWaalsContact O-C 3.27Å; E444-H447 PolarHBondContact O-N 2.71Å; E444-L448 VanDerWaalsContact O-CA 3.28Å; E444-L448 WeakPolarHBondContact O-CA 3.42Å; E444-L448 PolarHBondContact O-N 3.12Å; E444-Y451 HydrophobicContact CB-CD1 4.32Å; E444-Y451 HydrophobicContact CB-CD2 3.78Å; E444-Y451 HydrophobicContact CB-CE2 4.16Å; E444-Y451 HydrophobicContact CB-CG 3.85Å; E444-Y451 HydrophobicContact CG-CD2 3.63Å; E444-Y451 HydrophobicContact CG-CE2 3.75Å; E444-Y451 HydrophobicContact CG-CG 4.24Å |
| 445 | F | 89 | Confident | 91.3 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -65.8 | -33.1 | 176.8 | -168.7 | -109.9 | 0 | 0 | 0 | 113.2 | P421 I439 A440 K442 P443 H447 L448 Y459 | P421-F445 HydrophobicContact CB-CE2 4.11Å; P421-F445 HydrophobicContact CB-CZ 3.75Å; P421-F445 HydrophobicContact CG-CE2 4.3Å; P421-F445 HydrophobicContact CG-CZ 3.63Å; I439-F445 WeakPolarHBondContact O-CB 3.43Å; A440-F445 VanDerWaalsContact CA-CD2 3.49Å; A440-F445 HydrophobicContact CB-CD2 4.12Å; A440-F445 HydrophobicContact CB-CE2 4.03Å; A440-F445 HydrophobicContact CB-CZ 4.4Å; K442-F445 VanDerWaalsContact O-CB 3.26Å; K442-F445 WeakPolarHBondContact O-CB 3.18Å; K442-F445 PolarHBondContact O-N 3.08Å; P443-F445 PolarHBondContact O-N 3.45Å; P443-F445 VanDerWaalsContact O-N 3.09Å; F445-H447 PolarHBondContact O-N 3Å; F445-L448 HydrophobicContact CD2-CB 4.47Å; F445-L448 HydrophobicContact CD2-CD2 3.97Å; F445-L448 HydrophobicContact CE2-CD2 3.9Å; F445-L448 WeakPolarHBondContact O-CB 3.35Å; F445-L448 PolarHBondContact O-N 2.96Å; F445-Y459 AromaticContact CE2-CE2 3.78Å; F445-Y459 HydrophobicContact CE2-CE2 3.78Å; F445-Y459 HydrophobicContact CZ-CE2 4.16Å |
| 446 | E | 87.9 | Confident | 91.7 | Very high | 162 Ų | 162 | 61.7 Ų | 61.7 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.4 | 178.3 | -65 | -177.5 | 174.2 | 0 | 0 | 111.3 | P443 E444 | P443-E446 PolarHBondContact O-N 3.47Å; E444-E446 VanDerWaalsContact C-N 3.32Å; E444-E446 PolarHBondContact O-N 2.99Å |
| 447 | H | 91.3 | Very high | 92.1 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 38.2 | 179.1 | -62.7 | -84.7 | 0 | 0 | 0 | 111.7 | E444 F445 A449 E450 Y451 | E444-H447 CarbonylContact O-C 3.6Å; E444-H447 VanDerWaalsContact O-C 3.27Å; E444-H447 PolarHBondContact O-N 2.71Å; F445-H447 PolarHBondContact O-N 3Å; H447-A449 VanDerWaalsContact C-N 3.28Å; H447-A449 PolarHBondContact O-N 3.41Å; H447-A449 VanDerWaalsContact O-N 3.15Å; H447-E450 HydrophobicContact CB-CB 4.49Å; H447-E450 IonicContact ND1-OE1 2.66Å; H447-E450 IonicContact ND1-OE2 3.82Å; H447-E450 WeakPolarHBondContact O-CB 3.49Å; H447-E450 PolarHBondContact O-N 3.13Å; H447-Y451 PolarHBondContact O-N 3.46Å |
| 448 | L | 93.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.9 | -38.2 | -169 | -176.9 | 66 | 0 | 0 | 0 | 113.9 | I439 E444 F445 E450 Y451 L452 V457 Y459 | I439-L448 HydrophobicContact CD1-CD1 3.45Å; I439-L448 VanDerWaalsContact CD1-CD1 3.45Å; I439-L448 HydrophobicContact CG1-CD1 3.99Å; E444-L448 VanDerWaalsContact O-CA 3.28Å; E444-L448 WeakPolarHBondContact O-CA 3.42Å; E444-L448 PolarHBondContact O-N 3.12Å; F445-L448 HydrophobicContact CD2-CB 4.47Å; F445-L448 HydrophobicContact CD2-CD2 3.97Å; F445-L448 HydrophobicContact CE2-CD2 3.9Å; F445-L448 WeakPolarHBondContact O-CB 3.35Å; F445-L448 PolarHBondContact O-N 2.96Å; L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.07Å; L448-Y451 HydrophobicContact CD1-CD1 4.33Å; L448-Y451 PolarHBondContact O-N 3.28Å; L448-L452 HydrophobicContact CD1-CD1 3.82Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.34Å; L448-L452 HydrophobicContact CG-CD1 3.84Å; L448-L452 HydrophobicContact CG-CG 4.18Å; L448-L452 WeakPolarHBondContact O-CB 3.46Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.43Å; L448-V457 HydrophobicContact CD2-CB 4.28Å; L448-V457 HydrophobicContact CD2-CG1 3.68Å; L448-V457 HydrophobicContact CG-CG1 4.35Å; L448-Y459 HydrophobicContact CD2-CE2 3.52Å; L448-Y459 WeakPolarHBondContact CD2-OH 3.42Å |
| 449 | A | 94.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H447 G453 A454 V457 | H447-A449 VanDerWaalsContact C-N 3.28Å; H447-A449 PolarHBondContact O-N 3.41Å; H447-A449 VanDerWaalsContact O-N 3.15Å; A449-G453 CarbonylContact O-C 3.53Å; A449-G453 PolarHBondContact O-N 2.8Å; A449-A454 PolarHBondContact O-N 3.07Å; A449-V457 HydrophobicContact CB-CB 4.42Å; A449-V457 HydrophobicContact CB-CG2 3.9Å |
| 450 | E | 94.1 | Very high | 93.5 | Very high | 149 Ų | 149 | 57.5 Ų | 57.5 | 70% | 0.696 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66 | -46.1 | 176.6 | -63.4 | 174.1 | -164.2 | 0 | 0 | 110.7 | H447 L448 L452 G453 | H447-E450 HydrophobicContact CB-CB 4.49Å; H447-E450 IonicContact ND1-OE1 2.66Å; H447-E450 IonicContact ND1-OE2 3.82Å; H447-E450 WeakPolarHBondContact O-CB 3.49Å; H447-E450 PolarHBondContact O-N 3.13Å; L448-E450 VanDerWaalsContact C-N 3.34Å; L448-E450 PolarHBondContact O-N 3.07Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.33Å; E450-G453 PolarHBondContact O-N 3.45Å |
| 451 | Y | 92.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 42% | 0.42 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.1 | -44 | 177.9 | 176.5 | -102 | 0 | 0 | 0 | 112.6 | I439 E444 H447 L448 G453 | I439-Y451 HydrophobicContact CD1-CD1 3.87Å; I439-Y451 HydrophobicContact CD1-CE1 3.61Å; E444-Y451 HydrophobicContact CB-CD1 4.32Å; E444-Y451 HydrophobicContact CB-CD2 3.78Å; E444-Y451 HydrophobicContact CB-CE2 4.16Å; E444-Y451 HydrophobicContact CB-CG 3.85Å; E444-Y451 HydrophobicContact CG-CD2 3.63Å; E444-Y451 HydrophobicContact CG-CE2 3.75Å; E444-Y451 HydrophobicContact CG-CG 4.24Å; H447-Y451 PolarHBondContact O-N 3.46Å; L448-Y451 HydrophobicContact CD1-CD1 4.33Å; L448-Y451 PolarHBondContact O-N 3.28Å; Y451-G453 VanDerWaalsContact C-N 3.32Å |
| 452 | L | 92.3 | Very high | 94 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.8 | -15 | 178.4 | -63.3 | -179.5 | 0 | 0 | 0 | 113.1 | I392 I398 S399 I402 I439 L448 E450 V457 | I392-L452 HydrophobicContact CD1-CD1 4.19Å; I398-L452 HydrophobicContact CG2-CD1 3.79Å; I398-L452 HydrophobicContact CG2-CD2 3.84Å; I398-L452 HydrophobicContact CG2-CG 4.38Å; S399-L452 PolarHBondContact OG-O 2.87Å; I402-L452 HydrophobicContact CD1-CB 3.83Å; I439-L452 HydrophobicContact CD1-CD2 4.43Å; L448-L452 HydrophobicContact CD1-CD1 3.82Å; L448-L452 HydrophobicContact CD1-CD2 4.4Å; L448-L452 HydrophobicContact CD1-CG 3.85Å; L448-L452 HydrophobicContact CD2-CD1 4.34Å; L448-L452 HydrophobicContact CG-CD1 3.84Å; L448-L452 HydrophobicContact CG-CG 4.18Å; L448-L452 WeakPolarHBondContact O-CB 3.46Å; L448-L452 WeakPolarHBondContact O-CG 3.42Å; L448-L452 PolarHBondContact O-N 3.43Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.33Å; L452-V457 HydrophobicContact CD1-CG2 4.14Å |
| 453 | G | 94.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 60.4 Ų | 60.4 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 19.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I402 K406 A449 E450 Y451 | I402-G453 VanDerWaalsContact CG2-O 3.25Å; I402-G453 WeakPolarHBondContact CG2-O 3.17Å; K406-G453 VanDerWaalsContact CE-O 3.31Å; K406-G453 WeakPolarHBondContact CE-O 3.38Å; K406-G453 PolarHBondContact NZ-O 3.21Å; A449-G453 CarbonylContact O-C 3.53Å; A449-G453 PolarHBondContact O-N 2.8Å; E450-G453 PolarHBondContact O-N 3.45Å; Y451-G453 VanDerWaalsContact C-N 3.32Å |
| 454 | A | 96.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | trans | -86.4 | 162.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I402 I415 A449 V457 | I402-A454 HydrophobicContact CD1-CB 3.95Å; I415-A454 HydrophobicContact CG1-CB 3.89Å; A449-A454 PolarHBondContact O-N 3.07Å; A454-V457 HydrophobicContact CB-CG2 3.82Å | ||
| 455 | N | 98.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -77.8 | -31.6 | 172.5 | -69.6 | 71.5 | 0 | 0 | 0 | 111.9 | K406 E412 V413 | K406-N455 WeakPolarHBondContact CE-OD1 3.24Å; K406-N455 PolarHBondContact NZ-OD1 3.15Å; K406-N455 VanDerWaalsContact NZ-OD1 3.12Å; E412-N455 WeakPolarHBondContact CA-OD1 3.27Å; E412-N455 HydrophobicContact CB-CB 4.37Å; V413-N455 PolarHBondContact N-OD1 3.26Å; V413-N455 PolarHBondContact O-N 3.13Å |
| 456 | S | 98 | Very high | 95.8 | Very high | 25 Ų | 25 | 51 Ų | 51 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 151.3 | 171.4 | 67.2 | 0 | 0 | 0 | 0 | 109.3 | H414 I415 R416 | H414-S456 WeakPolarHBondContact CB-OG 3.4Å; H414-S456 PolarHBondContact ND1-OG 3.12Å; I415-S456 PolarHBondContact N-O 3.39Å; R416-S456 PolarHBondContact NH1-OG 3.25Å |
| 457 | V | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.3 | 171.8 | -177 | 0 | 0 | 0 | 0 | 107.3 | I392 I415 L448 A449 L452 A454 Y459 | I392-V457 HydrophobicContact CD1-CG1 4.44Å; I415-V457 HydrophobicContact CB-CB 4.34Å; I415-V457 HydrophobicContact CB-CG1 4.15Å; I415-V457 HydrophobicContact CB-CG2 3.98Å; I415-V457 HydrophobicContact CG1-CG2 4.2Å; I415-V457 HydrophobicContact CG2-CG1 4.16Å; I415-V457 WeakPolarHBondContact O-CA 3.37Å; L448-V457 HydrophobicContact CD2-CB 4.28Å; L448-V457 HydrophobicContact CD2-CG1 3.68Å; L448-V457 HydrophobicContact CG-CG1 4.35Å; A449-V457 HydrophobicContact CB-CB 4.42Å; A449-V457 HydrophobicContact CB-CG2 3.9Å; L452-V457 HydrophobicContact CD1-CG2 4.14Å; A454-V457 HydrophobicContact CB-CG2 3.82Å; V457-Y459 HydrophobicContact CG1-CE2 3.96Å |
| 458 | I | 98.1 | Very high | 96.4 | Very high | 68 Ų | 68 | 41 Ų | 41 | 35% | 0.349 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.9 | 177.2 | -53 | -178.8 | 0 | 0 | 0 | 109.3 | A314 I415 R416 V417 | A314-I458 HydrophobicContact CB-CB 3.85Å; A314-I458 HydrophobicContact CB-CD1 4.03Å; A314-I458 HydrophobicContact CB-CG2 3.45Å; A314-I458 VanDerWaalsContact CB-CG2 3.45Å; I415-I458 PolarHBondContact O-N 2.97Å; I415-I458 VanDerWaalsContact O-N 3.12Å; R416-I458 VanDerWaalsContact CA-O 3.32Å; R416-I458 WeakPolarHBondContact CA-O 3.45Å; V417-I458 PolarHBondContact N-O 3.1Å |
| 459 | Y | 98.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 151.8 | 178.7 | -67.8 | -104.8 | 0 | 0 | 0 | 110.3 | I392 V417 S419 P421 F445 L448 V457 | I392-Y459 HydrophobicContact CB-CE1 4.33Å; V417-Y459 HydrophobicContact CB-CD1 3.54Å; V417-Y459 HydrophobicContact CB-CE1 3.89Å; V417-Y459 HydrophobicContact CB-CG 4.05Å; V417-Y459 HydrophobicContact CG1-CD1 3.71Å; V417-Y459 HydrophobicContact CG1-CE1 3.84Å; V417-Y459 HydrophobicContact CG2-CD1 3.85Å; V417-Y459 HydrophobicContact CG2-CE1 3.77Å; V417-Y459 HydrophobicContact CG2-CE2 4.49Å; V417-Y459 HydrophobicContact CG2-CG 4.26Å; S419-Y459 WeakPolarHBondContact O-CD1 3.43Å; P421-Y459 HydrophobicContact CB-CD1 4.32Å; P421-Y459 HydrophobicContact CB-CE1 4.33Å; P421-Y459 HydrophobicContact CG-CD1 3.84Å; P421-Y459 HydrophobicContact CG-CD2 3.98Å; P421-Y459 HydrophobicContact CG-CE1 4.26Å; P421-Y459 HydrophobicContact CG-CE2 4.38Å; P421-Y459 HydrophobicContact CG-CG 3.7Å; F445-Y459 AromaticContact CE2-CE2 3.78Å; F445-Y459 HydrophobicContact CE2-CE2 3.78Å; F445-Y459 HydrophobicContact CZ-CE2 4.16Å; L448-Y459 HydrophobicContact CD2-CE2 3.52Å; L448-Y459 WeakPolarHBondContact CD2-OH 3.42Å; V457-Y459 HydrophobicContact CG1-CE2 3.96Å |
| 460 | L | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 139.2 | 164.5 | -175.6 | 61.6 | 0 | 0 | 0 | 109.6 | C306 Q309 L310 V417 P420 L465 | C306-L460 HydrophobicContact CB-CD2 3.99Å; Q309-L460 HydrophobicContact CB-CD1 4.1Å; Q309-L460 HydrophobicContact CG-CD1 3.79Å; L310-L460 HydrophobicContact CB-CD1 4.14Å; L310-L460 HydrophobicContact CD1-CB 4.09Å; V417-L460 PolarHBondContact O-N 2.92Å; P420-L460 WeakPolarHBondContact CA-O 3.35Å; P420-L460 WeakPolarHBondContact CB-O 3.45Å; P420-L460 WeakPolarHBondContact CG-O 3.45Å; L460-L465 HydrophobicContact CD2-CB 3.86Å; L460-L465 HydrophobicContact CD2-CD1 4.18Å; L460-L465 HydrophobicContact CG-CB 4.33Å |
| 461 | S | 98.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 41 Ų | 41 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 159 | 174.1 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | E313 E463 G464 L465 | E313-S461 PolarHBondContact OE1-OG 2.95Å; E313-S461 WeakPolarHBondContact OE2-CB 3.27Å; E313-S461 PolarHBondContact OE2-N 2.9Å; E313-S461 PolarHBondContact OE2-OG 3.07Å; S461-E463 VanDerWaalsContact C-N 3.28Å; S461-E463 PolarHBondContact O-N 3.17Å; S461-G464 PolarHBondContact O-N 2.84Å; S461-G464 WeakPolarHBondContact OG-CA 3.33Å; S461-G464 PolarHBondContact OG-N 3.44Å; S461-L465 PolarHBondContact O-N 2.77Å |
| 462 | V | 97.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | P420 L465 V466 L507 T508 | P420-V462 HydrophobicContact CB-CG2 3.74Å; P420-V462 HydrophobicContact CG-CB 4.3Å; P420-V462 HydrophobicContact CG-CG2 3.81Å; V462-L465 PolarHBondContact O-N 3.11Å; V462-V466 HydrophobicContact CG1-CG2 4.39Å; V462-V466 WeakPolarHBondContact O-CB 3.34Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.36Å; V462-V466 PolarHBondContact O-N 2.69Å; V462-L507 HydrophobicContact CG2-CB 4.24Å; V462-T508 HydrophobicContact CG1-CG2 3.97Å |
| 463 | E | 97.3 | Very high | 95.5 | Very high | 139 Ų | 139 | 41.8 Ų | 41.8 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.7 | -42.7 | 176.6 | -62 | 71.7 | -157.9 | 0 | 0 | 111 | S461 V466 S467 | S461-E463 VanDerWaalsContact C-N 3.28Å; S461-E463 PolarHBondContact O-N 3.17Å; E463-V466 PolarHBondContact O-N 3.27Å; E463-S467 VanDerWaalsContact O-CB 3.25Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 2.91Å; E463-S467 PolarHBondContact O-OG 3.04Å |
| 464 | G | 97.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | E313 S461 S467 S468 | E313-G464 VanDerWaalsContact OE1-CA 3.23Å; E313-G464 WeakPolarHBondContact OE1-CA 3.34Å; S461-G464 PolarHBondContact O-N 2.84Å; S461-G464 WeakPolarHBondContact OG-CA 3.33Å; S461-G464 PolarHBondContact OG-N 3.44Å; G464-S467 WeakPolarHBondContact CA-OG 3.39Å; G464-S467 PolarHBondContact O-OG 3.3Å; G464-S467 VanDerWaalsContact O-OG 3.06Å; G464-S468 VanDerWaalsContact O-CB 3.3Å; G464-S468 WeakPolarHBondContact O-CB 3.26Å; G464-S468 PolarHBondContact O-N 2.95Å; G464-S468 PolarHBondContact O-OG 2.91Å |
| 465 | L | 97.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -51.7 | 175.6 | 177.6 | 61.1 | 0 | 0 | 0 | 111.3 | I281 V285 P420 L460 S461 V462 S467 S468 V469 L507 | I281-L465 HydrophobicContact CD1-CD2 3.74Å; I281-L465 HydrophobicContact CD1-CG 3.71Å; I281-L465 HydrophobicContact CG1-CD2 4.04Å; I281-L465 HydrophobicContact CG1-CG 4.19Å; I281-L465 HydrophobicContact CG2-CD2 4.41Å; V285-L465 HydrophobicContact CG2-CD1 4.02Å; V285-L465 HydrophobicContact CG2-CD2 3.81Å; P420-L465 VanDerWaalsContact CD-CD2 3.44Å; P420-L465 HydrophobicContact CG-CB 4.16Å; P420-L465 HydrophobicContact CG-CD2 4.11Å; L460-L465 HydrophobicContact CD2-CB 3.86Å; L460-L465 HydrophobicContact CD2-CD1 4.18Å; L460-L465 HydrophobicContact CG-CB 4.33Å; S461-L465 PolarHBondContact O-N 2.77Å; V462-L465 PolarHBondContact O-N 3.11Å; L465-S467 PolarHBondContact O-N 2.65Å; L465-S468 PolarHBondContact O-N 3.02Å; L465-V469 HydrophobicContact CD1-CG2 4.17Å; L465-V469 VanDerWaalsContact O-CG2 3.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.35Å; L465-V469 PolarHBondContact O-N 3.3Å; L465-L507 HydrophobicContact CD2-CD1 3.9Å |
| 466 | V | 96.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | -177.7 | 171 | 0 | 0 | 0 | 0 | 111 | I281 V462 E463 S468 V469 Q470 T504 | I281-V466 HydrophobicContact CD1-CG2 3.86Å; V462-V466 HydrophobicContact CG1-CG2 4.39Å; V462-V466 WeakPolarHBondContact O-CB 3.34Å; V462-V466 VanDerWaalsContact O-CG2 3.3Å; V462-V466 WeakPolarHBondContact O-CG2 3.36Å; V462-V466 PolarHBondContact O-N 2.69Å; E463-V466 PolarHBondContact O-N 3.27Å; V466-S468 PolarHBondContact O-N 3.19Å; V466-V469 PolarHBondContact O-N 3.04Å; V466-Q470 HydrophobicContact CG1-CG 4.37Å; V466-Q470 WeakPolarHBondContact O-CB 3.35Å; V466-Q470 WeakPolarHBondContact O-CG 3.05Å; V466-Q470 PolarHBondContact O-N 3.39Å; V466-T504 HydrophobicContact CG2-CG2 3.86Å |
| 467 | S | 95.5 | Very high | 87 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | E463 G464 L465 V469 Q470 Q471 | E463-S467 VanDerWaalsContact O-CB 3.25Å; E463-S467 WeakPolarHBondContact O-CB 3.47Å; E463-S467 PolarHBondContact O-N 2.91Å; E463-S467 PolarHBondContact O-OG 3.04Å; G464-S467 WeakPolarHBondContact CA-OG 3.39Å; G464-S467 PolarHBondContact O-OG 3.3Å; G464-S467 VanDerWaalsContact O-OG 3.06Å; L465-S467 PolarHBondContact O-N 2.65Å; S467-V469 VanDerWaalsContact C-N 3.33Å; S467-V469 PolarHBondContact O-N 2.85Å; S467-Q470 PolarHBondContact O-N 3.45Å; S467-Q471 WeakPolarHBondContact O-CB 3.39Å; S467-Q471 PolarHBondContact O-N 3.16Å |
| 468 | S | 96.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | R305 Q309 G464 L465 V466 | R305-S468 PolarHBondContact NH1-O 3.46Å; Q309-S468 VanDerWaalsContact CB-OG 3.29Å; Q309-S468 WeakPolarHBondContact CB-OG 3.41Å; G464-S468 VanDerWaalsContact O-CB 3.3Å; G464-S468 WeakPolarHBondContact O-CB 3.26Å; G464-S468 PolarHBondContact O-N 2.95Å; G464-S468 PolarHBondContact O-OG 2.91Å; L465-S468 PolarHBondContact O-N 3.02Å; V466-S468 PolarHBondContact O-N 3.19Å |
| 469 | V | 95.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70 | -43.1 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111 | I281 Y284 Q297 V302 L465 V466 S467 H502 | I281-V469 HydrophobicContact CD1-CG2 4.47Å; I281-V469 HydrophobicContact CG1-CG2 4.24Å; Y284-V469 HydrophobicContact CD2-CG1 3.48Å; Y284-V469 VanDerWaalsContact CD2-CG1 3.48Å; Y284-V469 HydrophobicContact CD2-CG2 4.21Å; Y284-V469 HydrophobicContact CE2-CG1 3.48Å; Y284-V469 VanDerWaalsContact CE2-CG1 3.48Å; Y284-V469 HydrophobicContact CG-CG1 4.24Å; Y284-V469 HydrophobicContact CG-CG2 4.36Å; Q297-V469 PolarHBondContact NE2-O 3.49Å; Q297-V469 PolarHBondContact OE1-O 3.15Å; V302-V469 HydrophobicContact CG1-CB 4.27Å; V302-V469 HydrophobicContact CG1-CG2 3.73Å; L465-V469 HydrophobicContact CD1-CG2 4.17Å; L465-V469 VanDerWaalsContact O-CG2 3.31Å; L465-V469 WeakPolarHBondContact O-CG2 3.35Å; L465-V469 PolarHBondContact O-N 3.3Å; V466-V469 PolarHBondContact O-N 3.04Å; S467-V469 VanDerWaalsContact C-N 3.33Å; S467-V469 PolarHBondContact O-N 2.85Å; V469-H502 WeakPolarHBondContact CG1-NE2 3.39Å |
| 470 | Q | 93.8 | Very high | 77.9 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -80.2 | -16.2 | -174.4 | -70.6 | -179.8 | -21 | 0 | 0 | 114.6 | V466 S467 E472 I473 T500 H502 | V466-Q470 HydrophobicContact CG1-CG 4.37Å; V466-Q470 WeakPolarHBondContact O-CB 3.35Å; V466-Q470 WeakPolarHBondContact O-CG 3.05Å; V466-Q470 PolarHBondContact O-N 3.39Å; S467-Q470 PolarHBondContact O-N 3.45Å; Q470-E472 VanDerWaalsContact C-N 3.31Å; Q470-E472 PolarHBondContact O-N 3.45Å; Q470-E472 VanDerWaalsContact O-N 3.11Å; Q470-I473 HydrophobicContact CG-CD1 4.39Å; Q470-I473 PolarHBondContact O-N 3.11Å; Q470-T500 PolarHBondContact NE2-O 2.99Å; Q470-T500 VanDerWaalsContact NE2-O 3.08Å; Q470-H502 PolarHBondContact NE2-ND1 2.98Å |
| 471 | Q | 88.4 | Confident | 74.8 | Confident | 131 Ų | 131 | 87.2 Ų | 87.2 | 61% | 0.612 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -39.6 | -168.9 | -173.7 | 178.5 | -12.3 | 0 | 0 | 115.4 | S467 | S467-Q471 WeakPolarHBondContact O-CB 3.39Å; S467-Q471 PolarHBondContact O-N 3.16Å |
| 472 | E | 83.8 | Confident | 71.6 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 10.2 | -175 | -69.6 | -175.5 | -163.4 | 0 | 0 | 114 | R305 Q470 K474 | R305-E472 VanDerWaalsContact CZ-CD 3.45Å; R305-E472 IonicContact CZ-OE1 2.78Å; R305-E472 IonicContact CZ-OE2 3.64Å; R305-E472 IonicContact NE-OE1 3.55Å; R305-E472 PolarHBondContact NE-OE1 3.24Å; R305-E472 IonicContact NE-OE2 3.37Å; R305-E472 IonicContact NH2-OE1 3.06Å; R305-E472 IonicContact NH2-OE2 2.75Å; R305-E472 PolarHBondContact NH2-OE2 3.14Å; Q470-E472 VanDerWaalsContact C-N 3.31Å; Q470-E472 PolarHBondContact O-N 3.45Å; Q470-E472 VanDerWaalsContact O-N 3.11Å; E472-K474 PolarHBondContact O-N 3.3Å; E472-K474 VanDerWaalsContact O-N 3.12Å |
| 473 | I | 85.9 | Confident | 68.5 | Low | 18 Ų | 18 | 100 Ų | 100 | 9% | 0.092 | 47% | 0.468 | C | S | . | . | trans | -66.5 | 115.7 | 176.5 | -61.6 | 179.7 | 0 | 0 | 0 | 108.3 | E295 Q297 Q470 F475 T500 | E295-I473 HydrophobicContact CB-CD1 4.25Å; E295-I473 HydrophobicContact CB-CG1 4.33Å; E295-I473 HydrophobicContact CB-CG2 4.47Å; E295-I473 WeakPolarHBondContact OE2-CD1 3.28Å; Q297-I473 VanDerWaalsContact NE2-CG1 3.33Å; Q470-I473 HydrophobicContact CG-CD1 4.39Å; Q470-I473 PolarHBondContact O-N 3.11Å; I473-F475 PolarHBondContact O-N 3.23Å; I473-T500 HydrophobicContact CG2-CG2 4.46Å | ||
| 474 | K | 67.5 | Low | 65.4 | Low | 166 Ų | 166 | 99 Ų | 99 | 72% | 0.722 | 47% | 0.467 | S | S | * | . | trans | -74.2 | 116.7 | -179.2 | -68.2 | -179 | -176.9 | 172.9 | 0 | 109.9 | E472 K476 | E472-K474 PolarHBondContact O-N 3.3Å; E472-K474 VanDerWaalsContact O-N 3.12Å; K474-K476 PolarHBondContact O-N 2.65Å | ||
| 475 | F | 57.8 | Low | 62.2 | Low | 128 Ų | 128 | 104.2 Ų | 104.2 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | trans | -63.2 | 104.1 | 172 | -58.6 | -78.1 | 0 | 0 | 0 | 110.5 | I473 K477 F497 T500 | I473-F475 PolarHBondContact O-N 3.23Å; F475-K477 PolarHBondContact O-N 3.11Å; F475-F497 HydrophobicContact CB-CD1 4.42Å; F475-T500 HydrophobicContact CD1-CG2 4.27Å; F475-T500 HydrophobicContact CE1-CG2 3.82Å | ||
| 476 | K | 46.7 | Very low | 58.8 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | trans | -77.3 | 113.6 | 168.8 | -76.9 | 177.2 | -174.9 | 153.7 | 0 | 108.3 | D296 K474 Q478 | D296-K476 IonicContact OD1-NZ 2.68Å; D296-K476 WeakPolarHBondContact OD2-CE 3.44Å; D296-K476 IonicContact OD2-NZ 3.52Å; D296-K476 PolarHBondContact OD2-NZ 3.1Å; K474-K476 PolarHBondContact O-N 2.65Å; K476-Q478 PolarHBondContact O-N 3.1Å | ||
| 477 | K | 37.3 | Very low | 55.5 | Low | 169 Ų | 169 | 115 Ų | 115 | 74% | 0.735 | 55% | 0.554 | S | S | * | * | trans | -58.2 | 107.4 | 170.7 | -67.6 | -171.3 | 177 | -158.6 | 0 | 109.1 | F475 E495 | F475-K477 PolarHBondContact O-N 3.11Å; K477-E495 IonicContact NZ-OE1 3.47Å | ||
| 478 | Q | 37.8 | Very low | 52.3 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 45% | 0.449 | 58% | 0.578 | S | S | . | * | trans | -84.4 | 126 | 168.5 | -68.4 | -160.2 | 26.1 | 0 | 0 | 109.5 | K476 V480 E498 | K476-Q478 PolarHBondContact O-N 3.1Å; Q478-V480 VanDerWaalsContact C-N 3.28Å; Q478-V480 HydrophobicContact CB-CG2 4.16Å; Q478-V480 PolarHBondContact O-N 3.03Å; Q478-E498 PolarHBondContact NE2-OE2 3.07Å | ||
| 479 | K | 30.2 | Very low | 48.9 | Very low | 216 Ų | 216 | 129.8 Ų | 129.8 | 94% | 0.939 | 62% | 0.616 | S | S | * | * | trans | -74.7 | 84.8 | 162.5 | -81.8 | -175.8 | 175.9 | 179 | 0 | 107.8 | K481 | K479-K481 PolarHBondContact O-N 2.83Š| ||
| 480 | V | 34.9 | Very low | 45.7 | Very low | 92 Ų | 92 | 137 Ų | 137 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | trans | -70.4 | 126.3 | 171.1 | -175.4 | 0 | 0 | 0 | 0 | 108 | Q478 K482 | Q478-V480 VanDerWaalsContact C-N 3.28Å; Q478-V480 HydrophobicContact CB-CG2 4.16Å; Q478-V480 PolarHBondContact O-N 3.03Å; V480-K482 PolarHBondContact O-N 2.82Å | ||
| 481 | K | 33.7 | Very low | 42.8 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | -64.5 | 124.9 | 167.9 | -83.5 | -179.7 | 176.4 | 176 | 0 | 107.2 | K479 L483 | K479-K481 PolarHBondContact O-N 2.83Å; K481-L483 PolarHBondContact O-N 3.26Å | ||
| 482 | K | 29.9 | Very low | 39.9 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.857 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -29.8 | 98.9 | 172.3 | -92.9 | -179.5 | 168.4 | -179.4 | 0 | 112.2 | V480 | V480-K482 PolarHBondContact O-N 2.82Š|
| 483 | L | 34.2 | Very low | 37.3 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -157.5 | 139.3 | 139 | -117.6 | 90.8 | 0 | 0 | 0 | 104.6 | K481 | K481-L483 PolarHBondContact O-N 3.26Š| ||
| 484 | D | 31.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | trans | 87.8 | 92.6 | 177.5 | -45 | -25.5 | 0 | 0 | 0 | 115.4 | ||||
| 485 | I | 30.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 56% | 0.564 | 73% | 0.726 | S | S | * | * | trans | -118.6 | 112.7 | 171.2 | -57.3 | 172.7 | 0 | 0 | 0 | 107.5 | I487 L494 | I485-I487 HydrophobicContact CG2-CG1 3.69Å; I485-L494 HydrophobicContact CD1-CD2 4.06Å; I485-L494 HydrophobicContact CG1-CD2 4.23Å; I485-L494 HydrophobicContact CG2-CD2 4.3Å | ||
| 486 | T | 28.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -99.9 | 115.8 | 155.5 | -48.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 487 | I | 26.8 | Very low | 31.1 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | -77.8 | 120.7 | -167.9 | -58.1 | 170.1 | 0 | 0 | 0 | 110.1 | I485 E489 | I485-I487 HydrophobicContact CG2-CG1 3.69Å; I487-E489 HydrophobicContact CG2-CG 4.01Å | ||
| 488 | Q | 27.5 | Very low | 31.9 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -123.8 | 112.1 | 148.7 | -81.1 | -168.6 | -17.4 | 0 | 0 | 108 | N490 | Q488-N490 PolarHBondContact O-N 3.11Š| ||
| 489 | E | 25.5 | Very low | 32.8 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -72.5 | 110 | 177.1 | -74.5 | -174.9 | 150.1 | 0 | 0 | 110 | I487 | I487-E489 HydrophobicContact CG2-CG 4.01Š| ||
| 490 | N | 29.3 | Very low | 34.6 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -129.8 | 118 | 149.4 | -83.7 | -32.9 | 0 | 0 | 0 | 106.6 | Q488 N492 | Q488-N490 PolarHBondContact O-N 3.11Å; N490-N492 VanDerWaalsContact C-N 3.33Å; N490-N492 PolarHBondContact O-N 2.71Å | ||
| 491 | G | 31.8 | Very low | 37.1 | Very low | 83 Ų | 83 | 124 Ų | 124 | 86% | 0.856 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -69.6 | 67.2 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 492 | N | 28 | Very low | 40 | Very low | 154 Ų | 154 | 115.5 Ų | 115.5 | 82% | 0.824 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -155.6 | 83.7 | 162.1 | -91.7 | -25.3 | 0 | 0 | 0 | 110.7 | N490 | N490-N492 VanDerWaalsContact C-N 3.33Å; N490-N492 PolarHBondContact O-N 2.71Å |
| 493 | G | 28.2 | Very low | 43.2 | Very low | 69 Ų | 69 | 106.5 Ų | 106.5 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | trans | 68.8 | 139.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E495 | G493-E495 PolarHBondContact O-N 3.29Š| ||
| 494 | L | 28.1 | Very low | 46.1 | Very low | 141 Ų | 141 | 100.7 Ų | 100.7 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | trans | -71.4 | 110.4 | 171.5 | -85.3 | 93.1 | 0 | 0 | 0 | 109.7 | I485 | I485-L494 HydrophobicContact CD1-CD2 4.06Å; I485-L494 HydrophobicContact CG1-CD2 4.23Å; I485-L494 HydrophobicContact CG2-CD2 4.3Å | ||
| 495 | E | 29.3 | Very low | 49.2 | Very low | 117 Ų | 117 | 95.1 Ų | 95.1 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | trans | -113.9 | 107.5 | 169.1 | -63.9 | -165.3 | 139.9 | 0 | 0 | 109.6 | K477 G493 F497 | K477-E495 IonicContact NZ-OE1 3.47Å; G493-E495 PolarHBondContact O-N 3.29Å; E495-F497 HydrophobicContact CB-CD2 4.14Å; E495-F497 HydrophobicContact CB-CE2 3.5Å; E495-F497 HydrophobicContact CB-CZ 4.08Å; E495-F497 HydrophobicContact CG-CE2 4.4Å; E495-F497 WeakPolarHBondContact OE2-CE2 3.28Å; E495-F497 VanDerWaalsContact OE2-CZ 3.26Å; E495-F497 WeakPolarHBondContact OE2-CZ 3.48Å | ||
| 496 | C | 33.1 | Very low | 52.3 | Low | 88 Ų | 88 | 90.1 Ų | 90.1 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | trans | -89.7 | 105.1 | 169.7 | -70.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 497 | F | 39 | Very low | 55.5 | Low | 111 Ų | 111 | 84.2 Ų | 84.2 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | trans | -88.9 | 130.9 | 168.7 | -64.1 | -85.7 | 0 | 0 | 0 | 109 | F475 E495 K499 | F475-F497 HydrophobicContact CB-CD1 4.42Å; E495-F497 HydrophobicContact CB-CD2 4.14Å; E495-F497 HydrophobicContact CB-CE2 3.5Å; E495-F497 HydrophobicContact CB-CZ 4.08Å; E495-F497 HydrophobicContact CG-CE2 4.4Å; E495-F497 WeakPolarHBondContact OE2-CE2 3.28Å; E495-F497 VanDerWaalsContact OE2-CZ 3.26Å; E495-F497 WeakPolarHBondContact OE2-CZ 3.48Å; F497-K499 PolarHBondContact O-N 2.58Å | ||
| 498 | E | 52.6 | Low | 58.8 | Low | 87 Ų | 87 | 80.1 Ų | 80.1 | 41% | 0.407 | 45% | 0.446 | S | S | . | . | trans | -61.7 | 119.3 | 166.9 | -156.1 | 168.4 | -169.2 | 0 | 0 | 107 | R271 Q478 T500 | R271-E498 IonicContact CZ-OE1 3.22Å; R271-E498 IonicContact NH1-OE1 3.62Å; R271-E498 IonicContact NH2-OE1 3.48Å; R271-E498 PolarHBondContact NH2-OE1 3.46Å; Q478-E498 PolarHBondContact NE2-OE2 3.07Å; E498-T500 PolarHBondContact O-N 2.81Å | ||
| 499 | K | 56.5 | Low | 61.9 | Low | 148 Ų | 148 | 72.1 Ų | 72.1 | 64% | 0.643 | 42% | 0.415 | S | S | * | . | trans | -62.5 | 109.8 | -180 | -75.9 | -178.1 | -178.2 | 172.6 | 0 | 108.3 | P276 F497 G501 | P276-K499 HydrophobicContact CB-CB 4Å; P276-K499 WeakPolarHBondContact CB-O 3.13Å; F497-K499 PolarHBondContact O-N 2.58Å; K499-G501 PolarHBondContact O-N 2.96Å | ||
| 500 | T | 69.6 | Low | 65.2 | Low | 48 Ų | 48 | 70.7 Ų | 70.7 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | trans | -64 | 117.8 | 172.8 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | Q470 I473 F475 E498 | Q470-T500 PolarHBondContact NE2-O 2.99Å; Q470-T500 VanDerWaalsContact NE2-O 3.08Å; I473-T500 HydrophobicContact CG2-CG2 4.46Å; F475-T500 HydrophobicContact CD1-CG2 4.27Å; F475-T500 HydrophobicContact CE1-CG2 3.82Å; E498-T500 PolarHBondContact O-N 2.81Å | ||
| 501 | G | 87.1 | Confident | 68.2 | Low | 10 Ų | 10 | 65.7 Ų | 65.7 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -135 | 159.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V277 K499 | V277-G501 WeakPolarHBondContact CG2-O 3.36Å; V277-G501 CarbonylContact O-C 3.57Å; V277-G501 WeakPolarHBondContact O-CA 3.14Å; V277-G501 VanDerWaalsContact O-O 3.04Å; K499-G501 PolarHBondContact O-N 2.96Å | ||
| 502 | H | 95 | Very high | 71.1 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.2 | 174.2 | -69.5 | 85.1 | 0 | 0 | 0 | 108 | F279 I281 Y284 E295 V469 Q470 T504 | F279-H502 CarbonylContact O-C 3.6Å; F279-H502 WeakPolarHBondContact O-CA 3.2Å; I281-H502 HydrophobicContact CB-CB 4.16Å; I281-H502 HydrophobicContact CD1-CB 4.07Å; I281-H502 HydrophobicContact CG1-CB 4.26Å; Y284-H502 AromaticContact CE2-NE2 3.98Å; E295-H502 IonicContact OE1-NE2 3.6Å; E295-H502 IonicContact OE2-CE1 3.83Å; E295-H502 IonicContact OE2-NE2 3.72Å; E295-H502 PolarHBondContact OE2-NE2 3.36Å; V469-H502 WeakPolarHBondContact CG1-NE2 3.39Å; Q470-H502 PolarHBondContact NE2-ND1 2.98Å; H502-T504 PolarHBondContact O-N 3.47Å; H502-T504 VanDerWaalsContact O-N 3.14Å |
| 503 | C | 95.9 | Very high | 74 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 5% | 0.054 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 110.9 | 171.2 | 170 | 0 | 0 | 0 | 0 | 109.1 | N203 A278 F279 I281 M428 | N203-C503 WeakPolarHBondContact ND2-CB 3.43Å; A278-C503 HydrophobicContact CB-CB 4.07Å; A278-C503 VanDerWaalsContact O-CB 3.3Å; A278-C503 WeakPolarHBondContact O-CB 3.4Å; F279-C503 PolarHBondContact O-N 3.35Å; I281-C503 VanDerWaalsContact CG2-O 3.28Å; I281-C503 WeakPolarHBondContact CG2-O 3.38Å; I281-C503 PolarHBondContact N-O 3.04Å; M428-C503 WeakPolarHBondContact CE-SG 3.27Å |
| 504 | T | 96.1 | Very high | 76.8 | Confident | 21 Ų | 21 | 62.1 Ų | 62.1 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | trans | -109 | 15.6 | 175.3 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | I281 V466 H502 C506 L507 T508 | I281-T504 HydrophobicContact CD1-CG2 3.86Å; I281-T504 HydrophobicContact CG2-CG2 4.36Å; V466-T504 HydrophobicContact CG2-CG2 3.86Å; H502-T504 PolarHBondContact O-N 3.47Å; H502-T504 VanDerWaalsContact O-N 3.14Å; T504-C506 VanDerWaalsContact C-N 3.25Å; T504-C506 PolarHBondContact O-N 3.38Å; T504-L507 WeakPolarHBondContact O-CA 3.43Å; T504-L507 VanDerWaalsContact O-CB 3.29Å; T504-L507 WeakPolarHBondContact O-CB 3.38Å; T504-L507 PolarHBondContact O-N 3.46Å; T504-T508 PolarHBondContact O-N 3.01Å; T504-T508 PolarHBondContact O-OG1 3.17Å; T504-T508 PolarHBondContact OG1-OG1 3.3Å | ||
| 505 | A | 95.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -50.2 | -40.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M428 L507 T508 G509 Q510 Y511 | M428-A505 HydrophobicContact CE-CB 3.83Å; A505-L507 PolarHBondContact O-N 3.3Å; A505-T508 PolarHBondContact O-N 3.39Å; A505-G509 VanDerWaalsContact O-CA 3.27Å; A505-G509 WeakPolarHBondContact O-CA 3.28Å; A505-G509 PolarHBondContact O-N 3.01Å; A505-Q510 WeakPolarHBondContact CA-O 3.28Å; A505-Q510 WeakPolarHBondContact CB-O 2.8Å; A505-Y511 HydrophobicContact CB-CD1 3.58Å; A505-Y511 HydrophobicContact CB-CD2 4.43Å; A505-Y511 HydrophobicContact CB-CE1 3.72Å; A505-Y511 HydrophobicContact CB-CG 3.96Å |
| 506 | C | 94.8 | Very high | 81.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -18.5 | 179.6 | -45.5 | 0 | 0 | 0 | 0 | 113.4 | F282 I422 K423 Y424 C426 I432 T504 | F282-C506 HydrophobicContact CD2-CB 4.42Å; F282-C506 HydrophobicContact CE2-CB 3.77Å; F282-C506 HydrophobicContact CZ-CB 4.46Å; I422-C506 HydrophobicContact CG2-CB 4.33Å; K423-C506 PolarHBondContact N-O 3.34Å; Y424-C506 PolarHBondContact N-O 2.79Å; Y424-C506 WeakPolarHBondContact O-CA 3.45Å; C426-C506 VanDerWaalsContact CB-SG 3.58Å; I432-C506 HydrophobicContact CD1-CB 3.61Å; I432-C506 WeakPolarHBondContact CD1-SG 3.41Å; T504-C506 VanDerWaalsContact C-N 3.25Å; T504-C506 PolarHBondContact O-N 3.38Å |
| 507 | L | 95.9 | Very high | 82.8 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -99.7 | -41 | -179 | -47.9 | 176.2 | 0 | 0 | 0 | 111.1 | I281 F282 P420 I422 V462 L465 T504 A505 | I281-L507 HydrophobicContact CG2-CD1 4.25Å; F282-L507 HydrophobicContact CE2-CD1 4.5Å; F282-L507 HydrophobicContact CE2-CD2 3.79Å; F282-L507 HydrophobicContact CE2-CG 4.06Å; F282-L507 HydrophobicContact CZ-CD2 3.71Å; F282-L507 HydrophobicContact CZ-CG 4.47Å; P420-L507 HydrophobicContact CB-CD1 4.29Å; P420-L507 HydrophobicContact CB-CD2 4.18Å; P420-L507 HydrophobicContact CG-CD1 3.92Å; I422-L507 HydrophobicContact CG1-CD2 4.31Å; V462-L507 HydrophobicContact CG2-CB 4.24Å; L465-L507 HydrophobicContact CD2-CD1 3.9Å; T504-L507 WeakPolarHBondContact O-CA 3.43Å; T504-L507 VanDerWaalsContact O-CB 3.29Å; T504-L507 WeakPolarHBondContact O-CB 3.38Å; T504-L507 PolarHBondContact O-N 3.46Å; A505-L507 PolarHBondContact O-N 3.3Å |
| 508 | T | 95.6 | Very high | 84.9 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -108.3 | -19.3 | -169.6 | 61.5 | 0 | 0 | 0 | 0 | 114.4 | V462 T504 A505 Q510 | V462-T508 HydrophobicContact CG1-CG2 3.97Å; T504-T508 PolarHBondContact O-N 3.01Å; T504-T508 PolarHBondContact O-OG1 3.17Å; T504-T508 PolarHBondContact OG1-OG1 3.3Å; A505-T508 PolarHBondContact O-N 3.39Å; T508-Q510 PolarHBondContact O-N 3.3Å; T508-Q510 PolarHBondContact OG1-N 3.41Å |
| 509 | G | 94.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 76 | 3.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y424 A505 Y511 | Y424-G509 VanDerWaalsContact CD2-CA 3.49Å; A505-G509 VanDerWaalsContact O-CA 3.27Å; A505-G509 WeakPolarHBondContact O-CA 3.28Å; A505-G509 PolarHBondContact O-N 3.01Å; G509-Y511 WeakPolarHBondContact O-CD2 3.29Å |
| 510 | Q | 93.2 | Very high | 88.3 | Confident | 148 Ų | 148 | 54.5 Ų | 54.5 | 69% | 0.692 | 27% | 0.268 | S | S | * | . | trans | -92.7 | 102.4 | 177.6 | -64.3 | -179.2 | -8.4 | 0 | 0 | 109.3 | A505 T508 | A505-Q510 WeakPolarHBondContact CA-O 3.28Å; A505-Q510 WeakPolarHBondContact CB-O 2.8Å; T508-Q510 PolarHBondContact O-N 3.3Å; T508-Q510 PolarHBondContact OG1-N 3.41Å | ||
| 511 | Y | 93.3 | Very high | 89.4 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | trans | -82.9 | 144.6 | 176 | -65.4 | -94 | 0 | 0 | 0 | 110 | P425 F427 M428 A505 G509 V513 L515 | P425-Y511 PolarHBondContact O-OH 3.04Å; F427-Y511 HydrophobicContact CD2-CD1 4.43Å; F427-Y511 AromaticContact CD2-CE1 3.59Å; F427-Y511 HydrophobicContact CD2-CE1 3.59Å; F427-Y511 AromaticContact CD2-CZ 3.76Å; F427-Y511 HydrophobicContact CE2-CE1 4.18Å; F427-Y511 AromaticContact CE2-CZ 3.86Å; F427-Y511 WeakPolarHBondContact CE2-OH 3.42Å; M428-Y511 HydrophobicContact CE-CD1 3.69Å; M428-Y511 HydrophobicContact CE-CE1 4.08Å; A505-Y511 HydrophobicContact CB-CD1 3.58Å; A505-Y511 HydrophobicContact CB-CD2 4.43Å; A505-Y511 HydrophobicContact CB-CE1 3.72Å; A505-Y511 HydrophobicContact CB-CG 3.96Å; G509-Y511 WeakPolarHBondContact O-CD2 3.29Å; Y511-V513 WeakPolarHBondContact CB-O 3.22Å; Y511-V513 PolarHBondContact O-N 3.33Å; Y511-L515 HydrophobicContact CD1-CD1 3.98Å; Y511-L515 HydrophobicContact CD1-CD2 4.08Å; Y511-L515 HydrophobicContact CD1-CG 4.37Å; Y511-L515 HydrophobicContact CD2-CD1 3.73Å; Y511-L515 HydrophobicContact CD2-CG 4.39Å; Y511-L515 HydrophobicContact CE1-CD1 4.04Å; Y511-L515 HydrophobicContact CE2-CD1 3.79Å; Y511-L515 HydrophobicContact CG-CD1 3.82Å; Y511-L515 HydrophobicContact CG-CD2 4.26Å; Y511-L515 HydrophobicContact CG-CG 4.13Å | ||
| 512 | P | 91.3 | Very high | 89.6 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 20% | 0.195 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -69.1 | -14.1 | 180 | 29.1 | -35.4 | 0 | 0 | 0 | 113.1 | Y201 A278 M428 | Y201-P512 HydrophobicContact CD1-CB 3.87Å; Y201-P512 HydrophobicContact CE1-CB 4.01Å; Y201-P512 WeakPolarHBondContact CE1-O 3.35Å; Y201-P512 PolarHBondContact OH-O 3.09Å; A278-P512 HydrophobicContact CB-CB 3.7Å; A278-P512 HydrophobicContact CB-CG 4.1Å; M428-P512 HydrophobicContact SD-CG 3.81Å |
| 513 | V | 90.6 | Very high | 89.2 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -137 | 155.5 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | V126 P181 T182 Y201 Y511 | V126-V513 HydrophobicContact CB-CG2 4.38Å; V126-V513 HydrophobicContact CG1-CG2 4.03Å; V126-V513 HydrophobicContact CG2-CG2 3.93Å; P181-V513 HydrophobicContact CB-CG1 4.03Å; P181-V513 HydrophobicContact CG-CB 4.5Å; P181-V513 HydrophobicContact CG-CG1 4.25Å; T182-V513 HydrophobicContact CG2-CB 4.47Å; T182-V513 HydrophobicContact CG2-CG1 3.91Å; T182-V513 HydrophobicContact CG2-CG2 3.65Å; Y201-V513 HydrophobicContact CD2-CG1 4.04Å; Y201-V513 HydrophobicContact CE1-CG1 4.46Å; Y201-V513 HydrophobicContact CE2-CG1 3.42Å; Y201-V513 VanDerWaalsContact CE2-CG1 3.42Å; Y511-V513 WeakPolarHBondContact CB-O 3.22Å; Y511-V513 PolarHBondContact O-N 3.33Å |
| 514 | E | 87.1 | Confident | 88.7 | Confident | 181 Ų | 181 | 63.9 Ų | 63.9 | 85% | 0.846 | 31% | 0.305 | S | S | * | . | trans | -63.9 | 134.8 | 169.1 | -67.7 | -173.4 | 165.5 | 0 | 0 | 110.2 | ||||
| 515 | L | 85.1 | Confident | 88.2 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | trans | -88.4 | 124.9 | 175.9 | -59 | 176.7 | 0 | 0 | 0 | 108.7 | V126 F427 Y511 W517 | V126-L515 HydrophobicContact CB-CD2 4.15Å; V126-L515 HydrophobicContact CG1-CD2 4.09Å; F427-L515 HydrophobicContact CB-CD2 4.33Å; F427-L515 HydrophobicContact CD2-CD1 3.49Å; F427-L515 VanDerWaalsContact CD2-CD1 3.49Å; F427-L515 HydrophobicContact CD2-CD2 4.16Å; F427-L515 HydrophobicContact CD2-CG 4.47Å; F427-L515 HydrophobicContact CE2-CD1 3.68Å; Y511-L515 HydrophobicContact CD1-CD1 3.98Å; Y511-L515 HydrophobicContact CD1-CD2 4.08Å; Y511-L515 HydrophobicContact CD1-CG 4.37Å; Y511-L515 HydrophobicContact CD2-CD1 3.73Å; Y511-L515 HydrophobicContact CD2-CG 4.39Å; Y511-L515 HydrophobicContact CE1-CD1 4.04Å; Y511-L515 HydrophobicContact CE2-CD1 3.79Å; Y511-L515 HydrophobicContact CG-CD1 3.82Å; Y511-L515 HydrophobicContact CG-CD2 4.26Å; Y511-L515 HydrophobicContact CG-CG 4.13Å; L515-W517 HydrophobicContact CB-CH2 4.3Å; L515-W517 HydrophobicContact CB-CZ2 4.17Å; L515-W517 HydrophobicContact CD1-CH2 3.84Å; L515-W517 HydrophobicContact CD1-CZ2 4.33Å; L515-W517 HydrophobicContact CD1-CZ3 4.31Å; L515-W517 PolarHBondContact O-N 3.4Å; L515-W517 PolarHBondContact O-NE1 3.48Å | ||
| 516 | D | 70.9 | Confident | 87.5 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | trans | -78.9 | 100.1 | 173.7 | -82.6 | -17.9 | 0 | 0 | 0 | 108 | N127 R130 | N127-D516 HydrophobicContact CB-CB 4.27Å; N127-D516 WeakPolarHBondContact CB-OD2 3.26Å; R130-D516 WeakPolarHBondContact CD-OD2 3.38Å; R130-D516 IonicContact CZ-OD2 2.85Å; R130-D516 IonicContact NE-OD2 3.94Å; R130-D516 PolarHBondContact NE-OD2 3.08Å; R130-D516 IonicContact NH1-OD1 3.89Å; R130-D516 IonicContact NH1-OD2 3.45Å; R130-D516 PolarHBondContact NH1-OD2 3.36Å | ||
| 517 | W | 58.8 | Low | 86.9 | Confident | 280 Ų | 280 | 79.1 Ų | 79.1 | 100% | 1.061 | 38% | 0.375 | S | S | * | . | trans | -68.7 | 0 | 179.4 | -49.4 | 102.8 | 0 | 0 | 0 | 114 | L515 | L515-W517 HydrophobicContact CB-CH2 4.3Å; L515-W517 HydrophobicContact CB-CZ2 4.17Å; L515-W517 HydrophobicContact CD1-CH2 3.84Å; L515-W517 HydrophobicContact CD1-CZ2 4.33Å; L515-W517 HydrophobicContact CD1-CZ3 4.31Å; L515-W517 PolarHBondContact O-N 3.4Å; L515-W517 PolarHBondContact O-NE1 3.48Å |
Retrieved 517 of 517 residues in 772.4 ms
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