| 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 | 47 | Very low | 73.8 | Confident | 237 Ų | 237 | 76.6 Ų | 76.6 | 100% | 1.167 | 43% | 0.425 | S | S | * | . | 0 | 110.1 | 0 | -129.9 | 171.7 | -169.2 | 0 | 0 | 105.7 | S3 | M1-S3 PolarHBondContact O-N 2.83Š| |||
| 2 | F | 56.2 | Low | 75.6 | Confident | 51 Ų | 51 | 70.3 Ų | 70.3 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | trans | -62.8 | 126 | 175.4 | -179.5 | -101.9 | 0 | 0 | 0 | 108.7 | L7 P134 T359 E361 | F2-L7 HydrophobicContact CE1-CD1 4.13Å; F2-L7 HydrophobicContact CE1-CG 4.3Å; F2-L7 HydrophobicContact CZ-CD1 4.07Å; F2-L7 HydrophobicContact CZ-CD2 4.03Å; F2-L7 HydrophobicContact CZ-CG 3.87Å; F2-P134 HydrophobicContact CE2-CB 4.12Å; F2-P134 VanDerWaalsContact CE2-O 3.31Å; F2-P134 WeakPolarHBondContact CE2-O 3.36Å; F2-T359 HydrophobicContact CE1-CG2 3.89Å; F2-T359 HydrophobicContact CE2-CG2 4.24Å; F2-T359 HydrophobicContact CZ-CG2 3.64Å; F2-E361 HydrophobicContact CB-CG 3.82Å; F2-E361 WeakPolarHBondContact CB-OE1 3.31Å; F2-E361 PolarHBondContact N-OE1 3.48Å | ||
| 3 | S | 63 | Low | 77.2 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 46% | 0.462 | 36% | 0.359 | S | S | . | . | trans | -93.7 | 120.3 | 173 | -178.7 | 0 | 0 | 0 | 0 | 108 | M1 A5 V6 | M1-S3 PolarHBondContact O-N 2.83Å; S3-A5 PolarHBondContact O-N 3.32Å; S3-A5 WeakPolarHBondContact OG-CB 3.07Å; S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 WeakPolarHBondContact O-CG2 3.49Å; S3-V6 PolarHBondContact O-N 3.1Å | ||
| 4 | Q | 67.1 | Low | 78.5 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 73% | 0.729 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -59.7 | -20.1 | 178 | -149.1 | 166.7 | 7.9 | 0 | 0 | 112.2 | V6 L7 | Q4-V6 PolarHBondContact O-N 2.92Å; Q4-L7 HydrophobicContact CG-CD1 4.47Å; Q4-L7 WeakPolarHBondContact O-CB 3.38Å; Q4-L7 PolarHBondContact O-N 3.46Å; Q4-L7 VanDerWaalsContact O-N 3.1Å |
| 5 | A | 70.3 | Confident | 79.6 | Confident | 54 Ų | 54 | 56.4 Ų | 56.4 | 45% | 0.446 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -62.3 | -20.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | S3 L7 D8 | S3-A5 PolarHBondContact O-N 3.32Å; S3-A5 WeakPolarHBondContact OG-CB 3.07Å; A5-L7 PolarHBondContact O-N 3.49Å; A5-D8 WeakPolarHBondContact O-CB 3.42Å; A5-D8 PolarHBondContact O-N 3.13Å; A5-D8 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 76.4 | Confident | 80.4 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -67.8 | -27.9 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 111 | S3 Q4 D8 T9 P134 | S3-V6 WeakPolarHBondContact O-CB 3.28Å; S3-V6 WeakPolarHBondContact O-CG2 3.49Å; S3-V6 PolarHBondContact O-N 3.1Å; Q4-V6 PolarHBondContact O-N 2.92Å; V6-D8 PolarHBondContact O-N 3.33Å; V6-T9 WeakPolarHBondContact O-CB 3.03Å; V6-T9 PolarHBondContact O-N 3.37Å; V6-T9 PolarHBondContact O-OG1 3.29Å; V6-P134 HydrophobicContact CB-CB 4.44Å; V6-P134 HydrophobicContact CG1-CB 3.53Å; V6-P134 HydrophobicContact CG1-CG 3.44Å; V6-P134 VanDerWaalsContact CG1-CG 3.44Å |
| 7 | L | 79.1 | Confident | 81 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -75.8 | -9.6 | 174 | -59 | 178.7 | 0 | 0 | 0 | 113.3 | F2 Q4 A5 T9 A135 W357 | F2-L7 HydrophobicContact CE1-CD1 4.13Å; F2-L7 HydrophobicContact CE1-CG 4.3Å; F2-L7 HydrophobicContact CZ-CD1 4.07Å; F2-L7 HydrophobicContact CZ-CD2 4.03Å; F2-L7 HydrophobicContact CZ-CG 3.87Å; Q4-L7 HydrophobicContact CG-CD1 4.47Å; Q4-L7 WeakPolarHBondContact O-CB 3.38Å; Q4-L7 PolarHBondContact O-N 3.46Å; Q4-L7 VanDerWaalsContact O-N 3.1Å; A5-L7 PolarHBondContact O-N 3.49Å; L7-T9 VanDerWaalsContact C-N 3.33Å; L7-A135 HydrophobicContact CD2-CB 3.64Å; L7-W357 HydrophobicContact CD2-CB 4.27Å; L7-W357 HydrophobicContact CD2-CD2 4.46Å; L7-W357 HydrophobicContact CD2-CG 3.93Å |
| 8 | D | 81 | Confident | 81.5 | Confident | 102 Ų | 102 | 49.2 Ų | 49.2 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -86.6 | -10.3 | 171.6 | -59.8 | -38.8 | 0 | 0 | 0 | 111.9 | A5 V6 K354 | A5-D8 WeakPolarHBondContact O-CB 3.42Å; A5-D8 PolarHBondContact O-N 3.13Å; A5-D8 VanDerWaalsContact O-N 3.1Å; V6-D8 PolarHBondContact O-N 3.33Å; D8-K354 WeakPolarHBondContact OD1-CE 3.23Å; D8-K354 IonicContact OD1-NZ 3.48Å; D8-K354 PolarHBondContact OD1-NZ 3Å |
| 9 | T | 87.2 | Confident | 81.8 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -79 | 138.7 | 175.4 | -52.4 | 0 | 0 | 0 | 0 | 109.2 | V6 L7 A11 Q105 | V6-T9 WeakPolarHBondContact O-CB 3.03Å; V6-T9 PolarHBondContact O-N 3.37Å; V6-T9 PolarHBondContact O-OG1 3.29Å; L7-T9 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.58Å; T9-Q105 HydrophobicContact CG2-CG 4.02Å |
| 10 | P | 90.6 | Very high | 82.3 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 43% | 0.429 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 130.3 | 174.8 | -27 | 35.3 | 0 | 0 | 0 | 111.6 | I25 | P10-I25 HydrophobicContact CB-CG2 3.4Å; P10-I25 VanDerWaalsContact CB-CG2 3.4Å; P10-I25 HydrophobicContact CG-CG2 4.47Å |
| 11 | A | 93.9 | Very high | 82.8 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 147.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T9 S26 P106 T348 W357 | T9-A11 PolarHBondContact O-N 2.58Å; A11-S26 WeakPolarHBondContact O-CB 3.43Å; A11-S26 PolarHBondContact O-N 3Å; A11-P106 CarbonylContact C-O 3.57Å; A11-P106 VanDerWaalsContact CA-O 3.23Å; A11-P106 WeakPolarHBondContact CA-O 3.29Å; A11-P106 HydrophobicContact CB-CB 4.36Å; A11-P106 HydrophobicContact CB-CG 3.92Å; A11-P106 WeakPolarHBondContact CB-O 3.32Å; A11-T348 HydrophobicContact CB-CG2 4.25Å; A11-W357 HydrophobicContact CB-CH2 3.68Å; A11-W357 HydrophobicContact CB-CZ2 3.9Å |
| 12 | V | 95.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 131.7 | 164.5 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | F14 V23 F94 L98 V100 Q105 P106 V107 F108 | V12-F14 HydrophobicContact CB-CE2 4.11Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.43Å; V12-F14 HydrophobicContact CG1-CE2 3.32Å; V12-F14 HydrophobicContact CG1-CZ 3.59Å; V12-V23 HydrophobicContact CG1-CG2 4.1Å; V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.13Å; V12-F94 HydrophobicContact CG2-CE1 4.18Å; V12-L98 HydrophobicContact CB-CD1 4.47Å; V12-L98 HydrophobicContact CG1-CD1 3.34Å; V12-L98 HydrophobicContact CG2-CD1 4.28Å; V12-V100 HydrophobicContact CG2-CG1 4.29Å; V12-Q105 HydrophobicContact CG2-CB 4.02Å; V12-P106 PolarHBondContact N-O 2.98Å; V12-V107 CarbonylContact O-C 3.46Å; V12-V107 WeakPolarHBondContact O-CA 3.45Å; V12-F108 PolarHBondContact O-N 2.81Å |
| 13 | I | 96.3 | Very high | 87 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.9 | -177.5 | -57.1 | 173.3 | 0 | 0 | 0 | 109 | V23 G24 F108 W341 | I13-V23 VanDerWaalsContact O-CA 3.32Å; I13-V23 WeakPolarHBondContact O-CA 3.43Å; I13-G24 PolarHBondContact N-O 3.21Å; I13-G24 PolarHBondContact O-N 3.42Å; I13-F108 CarbonylContact C-O 3.52Å; I13-F108 WeakPolarHBondContact CA-O 3.43Å; I13-F108 HydrophobicContact CG1-CB 4.21Å; I13-F108 HydrophobicContact CG2-CD1 3.93Å; I13-W341 HydrophobicContact CB-CZ2 4.29Å; I13-W341 HydrophobicContact CD1-CZ2 4.26Å; I13-W341 HydrophobicContact CG2-CD2 4.45Å; I13-W341 HydrophobicContact CG2-CG 4.13Å; I13-W341 PolarHBondContact O-NE1 3.01Å |
| 14 | F | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.5 | 172.6 | -66 | -82.8 | 0 | 0 | 0 | 110.9 | V12 V23 L93 F94 V107 F108 M109 T110 | V12-F14 HydrophobicContact CB-CE2 4.11Å; V12-F14 HydrophobicContact CG1-CD2 4Å; V12-F14 HydrophobicContact CG1-CE1 4.43Å; V12-F14 HydrophobicContact CG1-CE2 3.32Å; V12-F14 HydrophobicContact CG1-CZ 3.59Å; F14-V23 HydrophobicContact CD1-CB 4.21Å; F14-V23 HydrophobicContact CD1-CG2 3.63Å; F14-V23 HydrophobicContact CE1-CB 4.3Å; F14-V23 HydrophobicContact CE1-CG2 3.44Å; F14-V23 VanDerWaalsContact CE1-CG2 3.44Å; F14-V23 HydrophobicContact CG-CG2 4.38Å; F14-V23 HydrophobicContact CZ-CG2 4.03Å; F14-L93 HydrophobicContact CD1-CD1 3.87Å; F14-L93 HydrophobicContact CE1-CB 3.71Å; F14-L93 HydrophobicContact CE1-CD1 3.77Å; F14-L93 HydrophobicContact CE1-CG 4.38Å; F14-F94 HydrophobicContact CD2-CZ 4.43Å; F14-F94 HydrophobicContact CE2-CD1 4.38Å; F14-F94 AromaticContact CE2-CE1 3.58Å; F14-F94 HydrophobicContact CE2-CE1 3.58Å; F14-F94 AromaticContact CE2-CE2 3.74Å; F14-F94 HydrophobicContact CE2-CE2 3.74Å; F14-F94 AromaticContact CE2-CZ 3.21Å; F14-F94 HydrophobicContact CE2-CZ 3.21Å; F14-F94 AromaticContact CZ-CD1 3.89Å; F14-F94 HydrophobicContact CZ-CD1 3.89Å; F14-F94 AromaticContact CZ-CD2 3.89Å; F14-F94 HydrophobicContact CZ-CD2 3.89Å; F14-F94 AromaticContact CZ-CE1 3.55Å; F14-F94 HydrophobicContact CZ-CE1 3.55Å; F14-F94 AromaticContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CG 4.05Å; F14-F94 AromaticContact CZ-CZ 3.37Å; F14-F94 HydrophobicContact CZ-CZ 3.37Å; F14-V107 HydrophobicContact CD2-CG1 3.59Å; F14-V107 HydrophobicContact CE2-CG1 3.71Å; F14-F108 PolarHBondContact N-O 2.85Å; F14-M109 HydrophobicContact CB-CG 4.24Å; F14-M109 HydrophobicContact CD2-CG 4.32Å; F14-M109 CarbonylContact O-C 3.58Å; F14-M109 WeakPolarHBondContact O-CA 3.26Å; F14-T110 PolarHBondContact O-N 3.25Å |
| 15 | D | 95 | Very high | 89.8 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 103.5 | 165.1 | -176.1 | 46.9 | 0 | 0 | 0 | 110.1 | G17 C21 K22 T110 H141 S340 W341 | D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.15Å; D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.3Å; D15-C21 PolarHBondContact O-SG 2.86Å; D15-K22 HydrophobicContact CB-CB 4.17Å; D15-K22 HydrophobicContact CB-CD 3.96Å; D15-K22 PolarHBondContact N-O 2.92Å; D15-K22 PolarHBondContact O-N 2.74Å; D15-K22 WeakPolarHBondContact OD2-CD 3.4Å; D15-K22 IonicContact OD2-NZ 2.74Å; D15-K22 PolarHBondContact OD2-NZ 2.86Å; D15-T110 WeakPolarHBondContact CA-OG1 3.29Å; D15-T110 HydrophobicContact CB-CG2 4.36Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; D15-H141 IonicContact OD1-CD2 3.53Å; D15-H141 PolarHBondContact OD1-CD2 3.38Å; D15-H141 IonicContact OD1-NE2 3.24Å; D15-S340 PolarHBondContact OD1-OG 3.24Å; D15-S340 PolarHBondContact OD2-OG 3.39Å; D15-S340 VanDerWaalsContact OD2-OG 3.13Å; D15-W341 HydrophobicContact CB-CB 4.1Å |
| 16 | N | 92.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 23.1 Ų | 23.1 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 76.8 | -172.7 | -61 | -65.6 | 0 | 0 | 0 | 111.8 | I75 M86 W90 M109 T110 | N16-I75 HydrophobicContact CB-CD1 4.13Å; N16-M86 HydrophobicContact CB-CE 4.39Å; N16-M86 WeakPolarHBondContact OD1-CE 3.48Å; N16-W90 PolarHBondContact OD1-NE1 3.04Å; N16-W90 VanDerWaalsContact OD1-NE1 3.15Å; N16-M109 VanDerWaalsContact ND2-CE 3.28Å; N16-M109 WeakPolarHBondContact ND2-CE 3.39Å; N16-T110 PolarHBondContact N-OG1 2.89Å; N16-T110 VanDerWaalsContact N-OG1 3.11Å; N16-T110 PolarHBondContact ND2-O 3.49Å |
| 17 | G | 90.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 24 Ų | 24 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | trans | -82.9 | 150 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D15 G19 L20 S37 | D15-G17 PolarHBondContact O-N 2.92Å; D15-G17 VanDerWaalsContact O-N 3.15Å; G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3Å; G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.15Å; G17-S37 WeakPolarHBondContact O-CB 3.2Å; G17-S37 PolarHBondContact O-OG 3.28Å | ||
| 18 | S | 89.3 | Confident | 92 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -66 | -27.8 | 178.4 | -50.4 | 0 | 0 | 0 | 0 | 114.6 | G78 R187 | S18-G78 WeakPolarHBondContact OG-CA 3.27Å; S18-G78 PolarHBondContact OG-N 3.23Å; S18-R187 PolarHBondContact O-NH2 2.86Å |
| 19 | G | 88.8 | Confident | 92.3 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -100 | -53.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G17 S36 S37 D161 | G17-G19 VanDerWaalsContact C-N 3.29Å; G17-G19 PolarHBondContact O-N 3Å; G19-S36 WeakPolarHBondContact O-CA 3.31Å; G19-S37 PolarHBondContact O-N 3.17Å; G19-D161 WeakPolarHBondContact CA-OD2 3.31Å |
| 20 | L | 91.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 28.5 Ų | 28.5 | 40% | 0.403 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.9 | -176.8 | -60.4 | 173.7 | 0 | 0 | 0 | 110.7 | G17 V34 I35 | G17-L20 WeakPolarHBondContact CA-O 3.33Å; G17-L20 PolarHBondContact N-O 3.15Å; L20-V34 HydrophobicContact CB-CG1 4.25Å; L20-V34 HydrophobicContact CD1-CG1 4.07Å; L20-V34 HydrophobicContact CD2-CG1 4.4Å; L20-V34 HydrophobicContact CG-CG1 4.48Å; L20-I35 CarbonylContact C-O 3.39Å; L20-I35 VanDerWaalsContact CA-O 3.3Å; L20-I35 WeakPolarHBondContact CA-O 3.43Å |
| 21 | C | 93 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.9 | 165.9 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | D15 I35 S37 | D15-C21 VanDerWaalsContact O-CA 3.31Å; D15-C21 WeakPolarHBondContact O-CA 3.3Å; D15-C21 PolarHBondContact O-SG 2.86Å; C21-I35 HydrophobicContact CB-CG1 4.13Å; C21-I35 PolarHBondContact N-O 3.15Å; C21-I35 PolarHBondContact O-N 3.04Å; C21-S37 PolarHBondContact N-OG 3.09Å |
| 22 | K | 94.6 | Very high | 92.5 | Very high | 25 Ų | 25 | 33 Ų | 33 | 11% | 0.109 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.4 | 176.7 | -50.2 | 94 | 178.2 | 178.1 | 0 | 109.2 | D15 P31 H33 V34 Y338 | D15-K22 HydrophobicContact CB-CB 4.17Å; D15-K22 HydrophobicContact CB-CD 3.96Å; D15-K22 PolarHBondContact N-O 2.92Å; D15-K22 PolarHBondContact O-N 2.74Å; D15-K22 WeakPolarHBondContact OD2-CD 3.4Å; D15-K22 IonicContact OD2-NZ 2.74Å; D15-K22 PolarHBondContact OD2-NZ 2.86Å; K22-P31 HydrophobicContact CB-CB 3.71Å; K22-P31 HydrophobicContact CB-CG 4.04Å; K22-P31 HydrophobicContact CG-CG 4.35Å; K22-H33 WeakPolarHBondContact CA-O 3.48Å; K22-V34 HydrophobicContact CB-CG2 4.34Å; K22-V34 HydrophobicContact CG-CB 4.39Å; K22-V34 HydrophobicContact CG-CG1 4.06Å; K22-V34 HydrophobicContact CG-CG2 3.86Å; K22-Y338 HydrophobicContact CG-CD1 4.2Å; K22-Y338 HydrophobicContact CG-CE1 4.35Å |
| 23 | V | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.1 | -177.4 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | V12 I13 F14 R32 H33 L93 L98 | V12-V23 HydrophobicContact CG1-CG2 4.1Å; I13-V23 VanDerWaalsContact O-CA 3.32Å; I13-V23 WeakPolarHBondContact O-CA 3.43Å; F14-V23 HydrophobicContact CD1-CB 4.21Å; F14-V23 HydrophobicContact CD1-CG2 3.63Å; F14-V23 HydrophobicContact CE1-CB 4.3Å; F14-V23 HydrophobicContact CE1-CG2 3.44Å; F14-V23 VanDerWaalsContact CE1-CG2 3.44Å; F14-V23 HydrophobicContact CG-CG2 4.38Å; F14-V23 HydrophobicContact CZ-CG2 4.03Å; V23-R32 PolarHBondContact O-N 2.91Å; V23-H33 HydrophobicContact CG1-CB 3.74Å; V23-H33 PolarHBondContact N-O 3.49Å; V23-H33 PolarHBondContact O-N 3Å; V23-L93 HydrophobicContact CB-CD2 4.43Å; V23-L93 HydrophobicContact CG1-CD2 3.83Å; V23-L98 HydrophobicContact CG1-CD2 4.28Å; V23-L98 HydrophobicContact CG1-CG 4.38Å; V23-L98 HydrophobicContact CG2-CD1 3.56Å; V23-L98 HydrophobicContact CG2-CD2 4.09Å; V23-L98 HydrophobicContact CG2-CG 3.96Å |
| 24 | G | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | -167.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I13 | I13-G24 PolarHBondContact N-O 3.21Å; I13-G24 PolarHBondContact O-N 3.42Å |
| 25 | I | 94 | Very high | 92.1 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 141.8 | -176.6 | -57.7 | 176.2 | 0 | 0 | 0 | 109.7 | P10 G27 E28 | P10-I25 HydrophobicContact CB-CG2 3.4Å; P10-I25 VanDerWaalsContact CB-CG2 3.4Å; P10-I25 HydrophobicContact CG-CG2 4.47Å; I25-G27 PolarHBondContact O-N 3.1Å; I25-E28 HydrophobicContact CB-CG 4.41Å; I25-E28 PolarHBondContact N-OE2 3.35Å; I25-E28 WeakPolarHBondContact O-CB 3.35Å; I25-E28 WeakPolarHBondContact O-CG 3.26Å; I25-E28 PolarHBondContact O-N 3.13Å |
| 26 | S | 93.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.5 | 174.1 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | A11 T348 S349 | A11-S26 WeakPolarHBondContact O-CB 3.43Å; A11-S26 PolarHBondContact O-N 3Å; S26-T348 VanDerWaalsContact CB-OG1 3.31Å; S26-T348 WeakPolarHBondContact CB-OG1 3.49Å; S26-T348 WeakPolarHBondContact OG-CB 3.33Å; S26-T348 PolarHBondContact OG-OG1 3.13Å; S26-S349 PolarHBondContact OG-OG 3.33Å |
| 27 | G | 88.8 | Confident | 91.8 | Very high | 56 Ų | 56 | 38 Ų | 38 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I25 S345 | I25-G27 PolarHBondContact O-N 3.1Å; G27-S345 PolarHBondContact N-OG 3.35Å |
| 28 | E | 90.7 | Very high | 91.8 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | trans | -76.6 | 152.7 | 170.2 | -62.4 | 175.7 | 158.5 | 0 | 0 | 111 | I25 G30 W341 S345 | I25-E28 HydrophobicContact CB-CG 4.41Å; I25-E28 PolarHBondContact N-OE2 3.35Å; I25-E28 WeakPolarHBondContact O-CB 3.35Å; I25-E28 WeakPolarHBondContact O-CG 3.26Å; I25-E28 PolarHBondContact O-N 3.13Å; E28-G30 VanDerWaalsContact C-N 3.3Å; E28-G30 PolarHBondContact O-N 3.19Å; E28-W341 HydrophobicContact CB-CH2 4.09Å; E28-S345 PolarHBondContact O-OG 3.39Å | ||
| 29 | L | 86.8 | Confident | 91.9 | Very high | 174 Ų | 174 | 37 Ų | 37 | 91% | 0.911 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -72 | -21.3 | -177.6 | -68.6 | 173.5 | 0 | 0 | 0 | 113.7 | ||
| 30 | G | 90.4 | Very high | 91.9 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -163.2 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E28 R32 W341 | E28-G30 VanDerWaalsContact C-N 3.3Å; E28-G30 PolarHBondContact O-N 3.19Å; G30-R32 PolarHBondContact O-N 3.26Å; G30-W341 VanDerWaalsContact C-CH2 3.45Å; G30-W341 VanDerWaalsContact O-CH2 3.25Å; G30-W341 WeakPolarHBondContact O-CH2 3.39Å; G30-W341 WeakPolarHBondContact O-CZ3 3.43Å |
| 31 | P | 93.8 | Very high | 91.7 | Very high | 22 Ų | 22 | 34.5 Ų | 34.5 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | trans | -64.5 | 136.4 | -178.9 | 27.3 | -33.8 | 0 | 0 | 0 | 110.4 | K22 V34 Y338 W341 | K22-P31 HydrophobicContact CB-CB 3.71Å; K22-P31 HydrophobicContact CB-CG 4.04Å; K22-P31 HydrophobicContact CG-CG 4.35Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.87Å; P31-Y338 HydrophobicContact CG-CD1 3.77Å; P31-Y338 HydrophobicContact CG-CE1 4.12Å; P31-Y338 HydrophobicContact CG-CG 4.01Å; P31-W341 HydrophobicContact CB-CD2 3.88Å; P31-W341 HydrophobicContact CB-CE3 4.33Å; P31-W341 HydrophobicContact CB-CG 4.16Å; P31-W341 HydrophobicContact CB-CZ2 4.48Å; P31-W341 HydrophobicContact CG-CD2 4.43Å | ||
| 32 | R | 93 | Very high | 91.3 | Very high | 142 Ų | 142 | 36.6 Ų | 36.6 | 54% | 0.536 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71.1 | -36.3 | 179.7 | -169 | -177.5 | 170.1 | 167 | -3.8 | 112 | V23 G30 | V23-R32 PolarHBondContact O-N 2.91Å; G30-R32 PolarHBondContact O-N 3.26Å |
| 33 | H | 93.2 | Very high | 90.5 | Very high | 45 Ų | 45 | 39.2 Ų | 39.2 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136 | 178.2 | -58 | -102.1 | 0 | 0 | 0 | 110.2 | K22 V23 E97 | K22-H33 WeakPolarHBondContact CA-O 3.48Å; V23-H33 HydrophobicContact CG1-CB 3.74Å; V23-H33 PolarHBondContact N-O 3.49Å; V23-H33 PolarHBondContact O-N 3Å; H33-E97 HydrophobicContact CB-CB 4.38Å; H33-E97 IonicContact CE1-OE2 2.74Å; H33-E97 PolarHBondContact CE1-OE2 3.02Å; H33-E97 IonicContact CG-OE2 3.15Å; H33-E97 IonicContact ND1-OE2 2.77Å; H33-E97 PolarHBondContact ND1-OE2 3.36Å; H33-E97 PolarHBondContact NE2-O 2.66Å |
| 34 | V | 92.8 | Very high | 89.3 | Confident | 46 Ų | 46 | 47 Ų | 47 | 28% | 0.279 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.8 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | L20 K22 P31 Y338 | L20-V34 HydrophobicContact CB-CG1 4.25Å; L20-V34 HydrophobicContact CD1-CG1 4.07Å; L20-V34 HydrophobicContact CD2-CG1 4.4Å; L20-V34 HydrophobicContact CG-CG1 4.48Å; K22-V34 HydrophobicContact CB-CG2 4.34Å; K22-V34 HydrophobicContact CG-CB 4.39Å; K22-V34 HydrophobicContact CG-CG1 4.06Å; K22-V34 HydrophobicContact CG-CG2 3.86Å; P31-V34 HydrophobicContact CB-CG2 4.33Å; P31-V34 HydrophobicContact CG-CG2 3.87Å; V34-Y338 HydrophobicContact CG2-CE1 3.84Å |
| 35 | I | 91.4 | Very high | 87.6 | Confident | 15 Ų | 15 | 54.9 Ų | 54.9 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.4 | -176.3 | 63.6 | 154.8 | 0 | 0 | 0 | 111 | L20 C21 V58 L89 L93 | L20-I35 CarbonylContact C-O 3.39Å; L20-I35 VanDerWaalsContact CA-O 3.3Å; L20-I35 WeakPolarHBondContact CA-O 3.43Å; C21-I35 HydrophobicContact CB-CG1 4.13Å; C21-I35 PolarHBondContact N-O 3.15Å; C21-I35 PolarHBondContact O-N 3.04Å; I35-V58 HydrophobicContact CD1-CG1 4.04Å; I35-L89 HydrophobicContact CD1-CD1 3.58Å; I35-L93 HydrophobicContact CD1-CD1 4.24Å; I35-L93 HydrophobicContact CD1-CD2 3.2Å; I35-L93 HydrophobicContact CD1-CG 3.86Å; I35-L93 HydrophobicContact CG1-CD2 3.72Å |
| 36 | S | 90.3 | Very high | 85.8 | Confident | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133 | 170.5 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | G19 V38 G59 Q63 | G19-S36 WeakPolarHBondContact O-CA 3.31Å; S36-V38 PolarHBondContact O-N 3.34Å; S36-G59 WeakPolarHBondContact O-CA 3.31Å; S36-Q63 VanDerWaalsContact CB-NE2 3.25Å; S36-Q63 PolarHBondContact OG-NE2 3.36Å |
| 37 | S | 91.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -75 | 65.7 | 177 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | G17 G19 C21 Y73 P74 | G17-S37 WeakPolarHBondContact O-CB 3.2Å; G17-S37 PolarHBondContact O-OG 3.28Å; G19-S37 PolarHBondContact O-N 3.17Å; C21-S37 PolarHBondContact N-OG 3.09Å; S37-Y73 WeakPolarHBondContact O-CD1 3.39Å; S37-P74 WeakPolarHBondContact O-CD 3.29Å |
| 38 | V | 90.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -138.9 | 140.2 | -177.6 | 66 | 0 | 0 | 0 | 0 | 110.8 | S36 V58 G59 A62 Q63 L71 H72 Y73 | S36-V38 PolarHBondContact O-N 3.34Å; V38-V58 WeakPolarHBondContact O-CA 3.31Å; V38-G59 WeakPolarHBondContact CG1-O 3.3Å; V38-G59 PolarHBondContact O-N 2.97Å; V38-A62 HydrophobicContact CG1-CB 4.28Å; V38-Q63 HydrophobicContact CG1-CG 4.06Å; V38-L71 HydrophobicContact CG2-CB 3.99Å; V38-L71 HydrophobicContact CG2-CD2 4.16Å; V38-H72 WeakPolarHBondContact CA-O 3.47Å; V38-Y73 HydrophobicContact CB-CD1 4.15Å; V38-Y73 HydrophobicContact CB-CE1 3.91Å; V38-Y73 HydrophobicContact CG2-CD1 4.27Å; V38-Y73 HydrophobicContact CG2-CE1 3.94Å | ||
| 39 | V | 91.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124 | 176 | -177 | 0 | 0 | 0 | 0 | 108.9 | Y56 F57 V58 H72 D85 K88 L89 | V39-Y56 HydrophobicContact CG1-CD2 4.32Å; V39-F57 CarbonylContact C-O 3.55Å; V39-F57 WeakPolarHBondContact CA-O 3.19Å; V39-V58 HydrophobicContact CG2-CG2 4.47Å; V39-H72 PolarHBondContact N-O 3.39Å; V39-H72 PolarHBondContact O-N 3.32Å; V39-D85 HydrophobicContact CB-CB 4.26Å; V39-D85 HydrophobicContact CG2-CB 4.17Å; V39-K88 HydrophobicContact CG1-CD 4.43Å; V39-L89 HydrophobicContact CG2-CB 4.28Å |
| 40 | G | 89 | Confident | 78 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y56 F57 Y70 | G40-Y56 VanDerWaalsContact O-CA 3.32Å; G40-Y56 WeakPolarHBondContact O-CA 3.16Å; G40-F57 PolarHBondContact N-O 3.11Å; G40-F57 PolarHBondContact O-N 3.03Å; G40-Y70 WeakPolarHBondContact CA-O 3.41Å |
| 41 | H | 87.8 | Confident | 76 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 19% | 0.194 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.2 | 175.3 | -64.6 | -79.4 | 0 | 0 | 0 | 111.1 | K43 L69 Y70 H72 D85 | H41-K43 PolarHBondContact O-N 3.48Å; H41-L69 CarbonylContact O-C 3.58Å; H41-L69 VanDerWaalsContact O-CA 3.27Å; H41-L69 WeakPolarHBondContact O-CA 3.5Å; H41-Y70 PolarHBondContact N-O 3.35Å; H41-Y70 PolarHBondContact O-N 2.97Å; H41-H72 AromaticContact CD2-CE1 3.77Å; H41-H72 AromaticContact CD2-CG 3.93Å; H41-H72 AromaticContact CD2-ND1 3.43Å; H41-H72 PolarHBondContact CD2-ND1 3.06Å; H41-H72 AromaticContact NE2-ND1 3.68Å; H41-D85 IonicContact CE1-OD1 2.74Å; H41-D85 PolarHBondContact CE1-OD1 2.92Å; H41-D85 VanDerWaalsContact CE1-OD1 3.24Å; H41-D85 IonicContact NE2-OD1 3.41Å; H41-D85 PolarHBondContact NE2-OD1 3.42Å; H41-D85 IonicContact NE2-OD2 3.35Å; H41-D85 PolarHBondContact NE2-OD2 3.21Å |
| 42 | P | 84.1 | Confident | 74 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 29% | 0.286 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.1 | -177.1 | 26.9 | -33.9 | 0 | 0 | 0 | 112.6 | F44 I46 R55 L69 | P42-F44 VanDerWaalsContact C-N 3.29Å; P42-F44 PolarHBondContact O-N 3.17Å; P42-I46 HydrophobicContact CB-CD1 4.5Å; P42-R55 WeakPolarHBondContact CD-O 3.35Å; P42-R55 WeakPolarHBondContact CG-O 3.21Å; P42-L69 HydrophobicContact CB-CD2 4.04Å |
| 43 | K | 77.3 | Confident | 72.3 | Confident | 79 Ų | 79 | 84.1 Ų | 84.1 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -67.2 | -31 | 179 | -64.1 | -179.9 | 178.6 | 150.4 | 0 | 112.5 | H41 D67 G68 L69 Y70 | H41-K43 PolarHBondContact O-N 3.48Å; K43-D67 PolarHBondContact NZ-O 2.89Å; K43-G68 WeakPolarHBondContact CG-O 3.34Å; K43-G68 PolarHBondContact N-O 3.08Å; K43-L69 WeakPolarHBondContact CE-O 3.45Å; K43-Y70 HydrophobicContact CB-CD2 4.27Å; K43-Y70 HydrophobicContact CB-CE2 3.85Å; K43-Y70 HydrophobicContact CD-CE1 4.27Å; K43-Y70 HydrophobicContact CD-CE2 4.48Å; K43-Y70 HydrophobicContact CG-CD1 4.2Å; K43-Y70 HydrophobicContact CG-CD2 3.64Å; K43-Y70 HydrophobicContact CG-CE1 4.07Å; K43-Y70 HydrophobicContact CG-CE2 3.51Å; K43-Y70 HydrophobicContact CG-CG 3.99Å |
| 44 | F | 70.4 | Confident | 70.7 | Confident | 163 Ų | 163 | 85.2 Ų | 85.2 | 72% | 0.715 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -123.6 | 147.8 | 179.1 | -59 | -77.8 | 0 | 0 | 0 | 109.5 | P42 I46 | P42-F44 VanDerWaalsContact C-N 3.29Å; P42-F44 PolarHBondContact O-N 3.17Å; F44-I46 VanDerWaalsContact C-N 3.27Å; F44-I46 PolarHBondContact O-N 2.99Å |
| 45 | N | 59.4 | Low | 69.8 | Low | 167 Ų | 167 | 93.7 Ų | 93.7 | 89% | 0.893 | 47% | 0.472 | S | S | * | . | trans | -65 | 90.8 | 168.2 | -83.8 | -17.3 | 0 | 0 | 0 | 108.6 | P47 | N45-P47 VanDerWaalsContact O-CD 3.29Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å | ||
| 46 | I | 56.2 | Low | 69.5 | Low | 116 Ų | 116 | 94.4 Ų | 94.4 | 60% | 0.595 | 47% | 0.474 | S | S | * | . | trans | -66.4 | 118.5 | 171.5 | -58.8 | 169.3 | 0 | 0 | 0 | 106.2 | P42 F44 S48 | P42-I46 HydrophobicContact CB-CD1 4.5Å; F44-I46 VanDerWaalsContact C-N 3.27Å; F44-I46 PolarHBondContact O-N 2.99Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.4Å | ||
| 47 | P | 48.3 | Very low | 69.3 | Low | 121 Ų | 121 | 96.1 Ų | 96.1 | 79% | 0.786 | 48% | 0.479 | S | S | * | . | trans | -68.1 | 100 | 169.2 | 0.9 | 14.2 | 0 | 0 | 0 | 105.9 | N45 A49 | N45-P47 VanDerWaalsContact O-CD 3.29Å; N45-P47 WeakPolarHBondContact O-CD 3.4Å; P47-A49 PolarHBondContact O-N 3.25Å | ||
| 48 | S | 52.5 | Low | 69.1 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | trans | -67.4 | 105.8 | -174.3 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | I46 R50 | I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.4Å; S48-R50 PolarHBondContact O-N 3.04Å | ||
| 49 | A | 45.8 | Very low | 68.9 | Low | 104 Ų | 104 | 96.6 Ų | 96.6 | 86% | 0.86 | 48% | 0.483 | S | S | * | . | trans | -77.5 | 16.6 | 164 | 0 | 0 | 0 | 0 | 0 | 112.8 | P47 | P47-A49 PolarHBondContact O-N 3.25Š| ||
| 50 | R | 48.8 | Very low | 68.4 | Low | 223 Ų | 223 | 102.7 Ų | 102.7 | 84% | 0.842 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -116.3 | 116.5 | 169.2 | -77.4 | -172.4 | 175.4 | -175.7 | -0.3 | 109 | S48 N52 | S48-R50 PolarHBondContact O-N 3.04Å; R50-N52 PolarHBondContact O-N 3.33Å |
| 51 | T | 49 | Very low | 68 | Low | 139 Ų | 139 | 107.7 Ų | 107.7 | 85% | 0.853 | 54% | 0.535 | S | S | * | . | trans | -56.2 | 115.3 | 177.3 | -24.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 52 | N | 51.6 | Low | 67.6 | Low | 144 Ų | 144 | 105.7 Ų | 105.7 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 70.2 | 128.7 | 166.1 | -81.9 | -20.9 | 0 | 0 | 0 | 120.6 | R50 | R50-N52 PolarHBondContact O-N 3.33Š|
| 53 | R | 56.5 | Low | 67.2 | Low | 205 Ų | 205 | 107 Ų | 107 | 77% | 0.774 | 53% | 0.528 | S | S | * | . | trans | 78.9 | 78.9 | 149.5 | -66.4 | 176.5 | 173.5 | -168.6 | -2.7 | 119.3 | W96 | R53-W96 HydrophobicContact CB-CZ2 4.45Š| ||
| 54 | K | 60.4 | Low | 67.1 | Low | 68 Ų | 68 | 108.1 Ų | 108.1 | 30% | 0.296 | 55% | 0.545 | S | S | . | . | 162.3 | 131 | 129 | -89.2 | -177.4 | -163.2 | 177.7 | 0 | 108.4 | D92 W96 | K54-D92 WeakPolarHBondContact CE-OD1 3.49Å; K54-D92 IonicContact NZ-OD1 3.24Å; K54-D92 PolarHBondContact NZ-OD1 3.07Å; K54-D92 IonicContact NZ-OD2 2.81Å; K54-D92 PolarHBondContact NZ-OD2 3.48Å; K54-W96 VanDerWaalsContact NZ-CD2 3.34Å | |||
| 55 | R | 74.8 | Confident | 67.1 | Low | 225 Ų | 225 | 104.4 Ų | 104.4 | 85% | 0.849 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -96.3 | 2.6 | 176.9 | -71.7 | -173.6 | 180 | 173.7 | 0.6 | 112.9 | P42 | P42-R55 WeakPolarHBondContact CD-O 3.35Å; P42-R55 WeakPolarHBondContact CG-O 3.21Å |
| 56 | Y | 84.3 | Confident | 67.5 | Low | 30 Ų | 30 | 98.7 Ų | 98.7 | 12% | 0.118 | 50% | 0.496 | C | S | . | . | S | Bend | trans | -142.9 | 157.8 | -176.2 | 60.9 | -90.9 | 0 | 0 | 0 | 108.3 | V39 G40 V58 K88 | V39-Y56 HydrophobicContact CG1-CD2 4.32Å; G40-Y56 VanDerWaalsContact O-CA 3.32Å; G40-Y56 WeakPolarHBondContact O-CA 3.16Å; Y56-V58 HydrophobicContact CD2-CG2 3.68Å; Y56-V58 HydrophobicContact CE2-CG2 3.7Å; Y56-K88 HydrophobicContact CD1-CD 3.71Å; Y56-K88 HydrophobicContact CD1-CG 4.24Å; Y56-K88 HydrophobicContact CD2-CB 4.13Å; Y56-K88 HydrophobicContact CD2-CD 4.17Å; Y56-K88 HydrophobicContact CE1-CB 4.33Å; Y56-K88 HydrophobicContact CE1-CD 3.95Å; Y56-K88 HydrophobicContact CE1-CG 3.94Å; Y56-K88 HydrophobicContact CE2-CB 3.74Å; Y56-K88 HydrophobicContact CE2-CD 4.41Å; Y56-K88 HydrophobicContact CE2-CG 4.25Å; Y56-K88 HydrophobicContact CG-CD 3.83Å |
| 57 | F | 86.4 | Confident | 68.2 | Low | 53 Ų | 53 | 98.6 Ų | 98.6 | 23% | 0.232 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151 | 176.1 | -59.4 | -82.8 | 0 | 0 | 0 | 109.1 | V39 G40 E61 A62 M65 L69 | V39-F57 CarbonylContact C-O 3.55Å; V39-F57 WeakPolarHBondContact CA-O 3.19Å; G40-F57 PolarHBondContact N-O 3.11Å; G40-F57 PolarHBondContact O-N 3.03Å; F57-E61 HydrophobicContact CB-CB 4.36Å; F57-E61 HydrophobicContact CD1-CB 4.47Å; F57-A62 HydrophobicContact CB-CB 4.01Å; F57-M65 HydrophobicContact CB-CE 4.44Å; F57-M65 HydrophobicContact CD1-CE 3.19Å; F57-M65 HydrophobicContact CD2-CE 4.13Å; F57-M65 HydrophobicContact CE1-CE 3.23Å; F57-M65 HydrophobicContact CE1-SD 4.26Å; F57-M65 HydrophobicContact CE2-CE 4.16Å; F57-M65 HydrophobicContact CG-CE 3.65Å; F57-M65 HydrophobicContact CZ-CE 3.73Å; F57-M65 HydrophobicContact CZ-SD 4.27Å; F57-L69 HydrophobicContact CB-CD1 4.03Å; F57-L69 HydrophobicContact CD2-CD1 3.52Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.21Å; F57-L69 HydrophobicContact CE2-CD1 4.32Å; F57-L69 HydrophobicContact CE2-CD2 3.84Å; F57-L69 HydrophobicContact CG-CD1 4.05Å |
| 58 | V | 87.8 | Confident | 69.5 | Low | 8 Ų | 8 | 94.4 Ų | 94.4 | 5% | 0.048 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147 | -175.3 | 179 | 0 | 0 | 0 | 0 | 109.4 | I35 V38 V39 Y56 E60 E61 L89 D92 | I35-V58 HydrophobicContact CD1-CG1 4.04Å; V38-V58 WeakPolarHBondContact O-CA 3.31Å; V39-V58 HydrophobicContact CG2-CG2 4.47Å; Y56-V58 HydrophobicContact CD2-CG2 3.68Å; Y56-V58 HydrophobicContact CE2-CG2 3.7Å; V58-E60 PolarHBondContact O-N 2.83Å; V58-E61 PolarHBondContact O-N 2.75Å; V58-L89 HydrophobicContact CG1-CD1 3.33Å; V58-D92 HydrophobicContact CB-CB 4.17Å; V58-D92 HydrophobicContact CG1-CB 4.18Å; V58-D92 HydrophobicContact CG2-CB 3.9Å |
| 59 | G | 85.8 | Confident | 70.9 | Confident | 2 Ų | 2 | 90.2 Ų | 90.2 | 2% | 0.021 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -134.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S36 V38 E61 A62 Q63 | S36-G59 WeakPolarHBondContact O-CA 3.31Å; V38-G59 WeakPolarHBondContact CG1-O 3.3Å; V38-G59 PolarHBondContact O-N 2.97Å; G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 2.81Å; G59-A62 WeakPolarHBondContact O-CB 3.33Å; G59-A62 PolarHBondContact O-N 3.45Å; G59-Q63 PolarHBondContact O-N 3.04Å |
| 60 | E | 80.8 | Confident | 72.8 | Confident | 128 Ų | 128 | 91.8 Ų | 91.8 | 60% | 0.598 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.4 | -36 | -177.3 | -63.9 | -174.5 | 177.1 | 0 | 0 | 112 | V58 A62 Q63 C64 | V58-E60 PolarHBondContact O-N 2.83Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3Å; E60-Q63 PolarHBondContact O-N 3.42Å; E60-C64 PolarHBondContact O-N 3.25Å; E60-C64 PolarHBondContact O-SG 2.95Å; E60-C64 VanDerWaalsContact O-SG 3.33Å |
| 61 | E | 79.5 | Confident | 74.6 | Confident | 105 Ų | 105 | 83.7 Ų | 83.7 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 177.2 | -62.9 | -171 | 161.7 | 0 | 0 | 111.8 | F57 V58 G59 M65 | F57-E61 HydrophobicContact CB-CB 4.36Å; F57-E61 HydrophobicContact CD1-CB 4.47Å; V58-E61 PolarHBondContact O-N 2.75Å; G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 2.81Å; E61-M65 HydrophobicContact CB-CE 4.35Å; E61-M65 WeakPolarHBondContact O-CE 3.49Å; E61-M65 PolarHBondContact O-N 3.25Å; E61-M65 VanDerWaalsContact O-N 3.14Å |
| 62 | A | 80.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V38 F57 G59 E60 Y66 L71 | V38-A62 HydrophobicContact CG1-CB 4.28Å; F57-A62 HydrophobicContact CB-CB 4.01Å; G59-A62 WeakPolarHBondContact O-CB 3.33Å; G59-A62 PolarHBondContact O-N 3.45Å; E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 3Å; A62-Y66 PolarHBondContact O-N 3.02Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; A62-L71 WeakPolarHBondContact O-CD2 3.45Å |
| 63 | Q | 75.8 | Confident | 78.4 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 177.5 | -67.6 | 179.6 | -11.6 | 0 | 0 | 112 | S36 V38 G59 E60 | S36-Q63 VanDerWaalsContact CB-NE2 3.25Å; S36-Q63 PolarHBondContact OG-NE2 3.36Å; V38-Q63 HydrophobicContact CG1-CG 4.06Å; G59-Q63 PolarHBondContact O-N 3.04Å; E60-Q63 PolarHBondContact O-N 3.42Å |
| 64 | C | 73.7 | Confident | 80.1 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 70% | 0.696 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67 | -35.9 | 177.3 | -68 | 0 | 0 | 0 | 0 | 112.5 | E60 | E60-C64 PolarHBondContact O-N 3.25Å; E60-C64 PolarHBondContact O-SG 2.95Å; E60-C64 VanDerWaalsContact O-SG 3.33Å |
| 65 | M | 70.9 | Confident | 81.7 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 41% | 0.414 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 31.6 | -178.4 | -70.5 | -174.8 | -72.3 | 0 | 0 | 113.9 | F57 E61 D67 G68 L69 | F57-M65 HydrophobicContact CB-CE 4.44Å; F57-M65 HydrophobicContact CD1-CE 3.19Å; F57-M65 HydrophobicContact CD2-CE 4.13Å; F57-M65 HydrophobicContact CE1-CE 3.23Å; F57-M65 HydrophobicContact CE1-SD 4.26Å; F57-M65 HydrophobicContact CE2-CE 4.16Å; F57-M65 HydrophobicContact CG-CE 3.65Å; F57-M65 HydrophobicContact CZ-CE 3.73Å; F57-M65 HydrophobicContact CZ-SD 4.27Å; E61-M65 HydrophobicContact CB-CE 4.35Å; E61-M65 WeakPolarHBondContact O-CE 3.49Å; E61-M65 PolarHBondContact O-N 3.25Å; E61-M65 VanDerWaalsContact O-N 3.14Å; M65-D67 VanDerWaalsContact C-N 3.31Å; M65-D67 PolarHBondContact O-N 3.15Å; M65-G68 PolarHBondContact O-N 2.93Å; M65-L69 HydrophobicContact CB-CD1 3.74Å; M65-L69 HydrophobicContact CB-CG 4.35Å; M65-L69 WeakPolarHBondContact O-CD1 3.44Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å |
| 66 | Y | 68.9 | Low | 82.4 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 18% | 0.184 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -59.7 | -32.6 | -172 | 75.4 | -85.4 | 0 | 0 | 0 | 115 | A62 G68 L69 I207 | A62-Y66 PolarHBondContact O-N 3.02Å; Y66-G68 PolarHBondContact O-N 2.8Å; Y66-L69 PolarHBondContact O-N 3.48Å; Y66-L69 VanDerWaalsContact O-O 3.12Å; Y66-I207 HydrophobicContact CD2-CB 3.83Å; Y66-I207 HydrophobicContact CD2-CD1 3.99Å; Y66-I207 HydrophobicContact CD2-CG2 3.48Å; Y66-I207 VanDerWaalsContact CD2-CG2 3.48Å; Y66-I207 HydrophobicContact CE2-CB 3.65Å; Y66-I207 HydrophobicContact CE2-CD1 3.89Å; Y66-I207 HydrophobicContact CE2-CG1 4.37Å; Y66-I207 HydrophobicContact CE2-CG2 3.86Å; Y66-I207 HydrophobicContact CG-CG2 4.01Å |
| 67 | D | 70.6 | Confident | 82.6 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 61% | 0.61 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -58.9 | -39 | -176.2 | -79.1 | -38.7 | 0 | 0 | 0 | 111.9 | K43 M65 | K43-D67 PolarHBondContact NZ-O 2.89Å; M65-D67 VanDerWaalsContact C-N 3.31Å; M65-D67 PolarHBondContact O-N 3.15Å |
| 68 | G | 74.9 | Confident | 82.6 | Confident | 33 Ų | 33 | 57 Ų | 57 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -92.1 | -3.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K43 M65 Y66 | K43-G68 WeakPolarHBondContact CG-O 3.34Å; K43-G68 PolarHBondContact N-O 3.08Å; M65-G68 PolarHBondContact O-N 2.93Å; Y66-G68 PolarHBondContact O-N 2.8Å |
| 69 | L | 82.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.8 | -167.8 | -56.8 | 177 | 0 | 0 | 0 | 112.9 | H41 P42 K43 F57 M65 Y66 L71 | H41-L69 CarbonylContact O-C 3.58Å; H41-L69 VanDerWaalsContact O-CA 3.27Å; H41-L69 WeakPolarHBondContact O-CA 3.5Å; P42-L69 HydrophobicContact CB-CD2 4.04Å; K43-L69 WeakPolarHBondContact CE-O 3.45Å; F57-L69 HydrophobicContact CB-CD1 4.03Å; F57-L69 HydrophobicContact CD2-CD1 3.52Å; F57-L69 HydrophobicContact CD2-CD2 3.6Å; F57-L69 HydrophobicContact CD2-CG 4.21Å; F57-L69 HydrophobicContact CE2-CD1 4.32Å; F57-L69 HydrophobicContact CE2-CD2 3.84Å; F57-L69 HydrophobicContact CG-CD1 4.05Å; M65-L69 HydrophobicContact CB-CD1 3.74Å; M65-L69 HydrophobicContact CB-CG 4.35Å; M65-L69 WeakPolarHBondContact O-CD1 3.44Å; M65-L69 WeakPolarHBondContact O-CG 3.48Å; Y66-L69 PolarHBondContact O-N 3.48Å; Y66-L69 VanDerWaalsContact O-O 3.12Å; L69-L71 HydrophobicContact CB-CD2 4.41Å |
| 70 | Y | 83.8 | Confident | 83.2 | Confident | 136 Ų | 136 | 60.5 Ų | 60.5 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 113.8 | 160.8 | -68.9 | -63.8 | 0 | 0 | 0 | 108.5 | G40 H41 K43 | G40-Y70 WeakPolarHBondContact CA-O 3.41Å; H41-Y70 PolarHBondContact N-O 3.35Å; H41-Y70 PolarHBondContact O-N 2.97Å; K43-Y70 HydrophobicContact CB-CD2 4.27Å; K43-Y70 HydrophobicContact CB-CE2 3.85Å; K43-Y70 HydrophobicContact CD-CE1 4.27Å; K43-Y70 HydrophobicContact CD-CE2 4.48Å; K43-Y70 HydrophobicContact CG-CD1 4.2Å; K43-Y70 HydrophobicContact CG-CD2 3.64Å; K43-Y70 HydrophobicContact CG-CE1 4.07Å; K43-Y70 HydrophobicContact CG-CE2 3.51Å; K43-Y70 HydrophobicContact CG-CG 3.99Å |
| 71 | L | 86.6 | Confident | 83.7 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 123.5 | 179.4 | -60.1 | -178.9 | 0 | 0 | 0 | 110.6 | V38 A62 L69 | V38-L71 HydrophobicContact CG2-CB 3.99Å; V38-L71 HydrophobicContact CG2-CD2 4.16Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; A62-L71 WeakPolarHBondContact O-CD2 3.45Å; L69-L71 HydrophobicContact CB-CD2 4.41Å |
| 72 | H | 89.9 | Confident | 84.3 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.8 | 177 | -68 | -175.3 | 0 | 0 | 0 | 110.3 | V38 V39 H41 R82 D85 | V38-H72 WeakPolarHBondContact CA-O 3.47Å; V39-H72 PolarHBondContact N-O 3.39Å; V39-H72 PolarHBondContact O-N 3.32Å; H41-H72 AromaticContact CD2-CE1 3.77Å; H41-H72 AromaticContact CD2-CG 3.93Å; H41-H72 AromaticContact CD2-ND1 3.43Å; H41-H72 PolarHBondContact CD2-ND1 3.06Å; H41-H72 AromaticContact NE2-ND1 3.68Å; H72-R82 PolarHBondContact CD2-NH1 3.3Å; H72-R82 PolarHBondContact CE1-NH1 3.5Å; H72-R82 PolarHBondContact ND1-NH1 3.43Å; H72-R82 VanDerWaalsContact ND1-NH1 3.14Å; H72-R82 PolarHBondContact NE2-NH1 3.5Å; H72-D85 WeakPolarHBondContact CB-OD2 3.42Å; H72-D85 IonicContact CG-OD2 2.79Å; H72-D85 IonicContact ND1-OD2 3.99Å; H72-D85 PolarHBondContact ND1-OD2 3.14Å |
| 73 | Y | 90.8 | Very high | 84.9 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 25% | 0.247 | 30% | 0.295 | C | S | . | . | trans | -101.8 | 110 | 172.9 | -63.8 | -86.4 | 0 | 0 | 0 | 108.5 | S37 V38 I75 | S37-Y73 WeakPolarHBondContact O-CD1 3.39Å; V38-Y73 HydrophobicContact CB-CD1 4.15Å; V38-Y73 HydrophobicContact CB-CE1 3.91Å; V38-Y73 HydrophobicContact CG2-CD1 4.27Å; V38-Y73 HydrophobicContact CG2-CE1 3.94Å; Y73-I75 PolarHBondContact O-N 3.31Å | ||
| 74 | P | 92.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.5 | -20.7 | -176.6 | 26.7 | -33 | 0 | 0 | 0 | 113.5 | S37 V80 T81 R82 D85 M86 L89 | S37-P74 WeakPolarHBondContact O-CD 3.29Å; P74-V80 WeakPolarHBondContact O-CA 3.27Å; P74-T81 PolarHBondContact O-N 2.82Å; P74-T81 PolarHBondContact O-OG1 3.24Å; P74-R82 PolarHBondContact O-N 3.45Å; P74-D85 HydrophobicContact CB-CB 4.13Å; P74-M86 HydrophobicContact CB-CB 4.16Å; P74-M86 HydrophobicContact CB-SD 3.99Å; P74-M86 HydrophobicContact CG-SD 4.09Å; P74-L89 HydrophobicContact CG-CD2 4.06Å |
| 75 | I | 93.2 | Very high | 86.7 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.9 | -180 | -49.8 | 173 | 0 | 0 | 0 | 109 | N16 Y73 L79 V80 M86 | N16-I75 HydrophobicContact CB-CD1 4.13Å; Y73-I75 PolarHBondContact O-N 3.31Å; I75-L79 CarbonylContact C-O 3.59Å; I75-L79 WeakPolarHBondContact CA-O 3.06Å; I75-V80 HydrophobicContact CG1-CG2 4.44Å; I75-M86 HydrophobicContact CD1-CE 3.81Å; I75-M86 HydrophobicContact CD1-SD 3.95Å; I75-M86 HydrophobicContact CG1-CE 4.24Å; I75-M86 HydrophobicContact CG1-SD 3.72Å |
| 76 | E | 90.7 | Very high | 87.8 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.4 | 176.7 | -65.3 | -177.9 | 173.9 | 0 | 0 | 109.3 | G78 L79 T81 | E76-G78 PolarHBondContact O-N 3.1Å; E76-G78 VanDerWaalsContact O-N 3.16Å; E76-L79 PolarHBondContact N-O 2.93Å; E76-L79 PolarHBondContact O-N 3.4Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.29Å |
| 77 | R | 89.1 | Confident | 89 | Confident | 93 Ų | 93 | 53.5 Ų | 53.5 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.1 | 179.9 | -56.9 | -170.1 | 174.6 | -77.6 | 5.5 | 113.7 | L79 G162 Y183 D188 | R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.43Å; R77-G162 PolarHBondContact NH1-O 3.16Å; R77-Y183 HydrophobicContact CB-CD1 4.02Å; R77-Y183 HydrophobicContact CB-CE1 4.25Å; R77-Y183 HydrophobicContact CG-CD1 4.39Å; R77-Y183 PolarHBondContact NH1-O 3.28Å; R77-D188 IonicContact CZ-OD1 3.39Å; R77-D188 IonicContact NH1-OD1 2.85Å; R77-D188 PolarHBondContact NH1-OD1 3.39Å; R77-D188 IonicContact NH1-OD2 3.16Å; R77-D188 PolarHBondContact NH1-OD2 3.04Å; R77-D188 IonicContact NH2-OD1 2.74Å; R77-D188 PolarHBondContact NH2-OD1 3.31Å |
| 78 | G | 85.8 | Confident | 90.1 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -13 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S18 E76 P112 | S18-G78 WeakPolarHBondContact OG-CA 3.27Å; S18-G78 PolarHBondContact OG-N 3.23Å; E76-G78 PolarHBondContact O-N 3.1Å; E76-G78 VanDerWaalsContact O-N 3.16Å; G78-P112 WeakPolarHBondContact O-CG 3.4Å |
| 79 | L | 91.6 | Very high | 91 | Very high | 59 Ų | 59 | 49 Ų | 49 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.3 | -176 | -60.4 | 177.3 | 0 | 0 | 0 | 111.4 | I75 E76 R77 T81 P116 | I75-L79 CarbonylContact C-O 3.59Å; I75-L79 WeakPolarHBondContact CA-O 3.06Å; E76-L79 PolarHBondContact N-O 2.93Å; E76-L79 PolarHBondContact O-N 3.4Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.43Å; L79-T81 PolarHBondContact O-N 2.81Å; L79-P116 HydrophobicContact CD2-CG 4.29Å |
| 80 | V | 93.3 | Very high | 91.5 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 112.1 | 173.5 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | P74 I75 W83 M86 T119 | P74-V80 WeakPolarHBondContact O-CA 3.27Å; I75-V80 HydrophobicContact CG1-CG2 4.44Å; V80-W83 HydrophobicContact CB-CH2 4.11Å; V80-W83 HydrophobicContact CB-CZ2 4.05Å; V80-W83 HydrophobicContact CB-CZ3 4.42Å; V80-W83 HydrophobicContact CG1-CD2 3.82Å; V80-W83 HydrophobicContact CG1-CE3 3.86Å; V80-W83 HydrophobicContact CG1-CG 4.4Å; V80-W83 HydrophobicContact CG1-CH2 4.18Å; V80-W83 HydrophobicContact CG1-CZ2 4.12Å; V80-W83 HydrophobicContact CG1-CZ3 4.05Å; V80-W83 HydrophobicContact CG2-CH2 4.49Å; V80-M86 HydrophobicContact CG1-CB 3.96Å; V80-M86 HydrophobicContact CG1-CG 4.03Å; V80-M86 HydrophobicContact CG1-SD 4.48Å; V80-M86 HydrophobicContact CG2-CG 4.48Å; V80-M86 HydrophobicContact CG2-SD 4.4Å; V80-T119 HydrophobicContact CB-CG2 4.49Å |
| 81 | T | 91.4 | Very high | 91.9 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 22% | 0.217 | S | C | . | . | trans | -95.5 | -35.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | P74 E76 L79 | P74-T81 PolarHBondContact O-N 2.82Å; P74-T81 PolarHBondContact O-OG1 3.24Å; E76-T81 HydrophobicContact CB-CG2 3.97Å; E76-T81 HydrophobicContact CG-CG2 4.29Å; L79-T81 PolarHBondContact O-N 2.81Å | ||
| 82 | R | 93.3 | Very high | 92.1 | Very high | 112 Ų | 112 | 44 Ų | 44 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | trans | -121.4 | 96.1 | -175 | -70.1 | 179.5 | 148.1 | 172.1 | -10 | 112.1 | H72 P74 D85 M86 | H72-R82 PolarHBondContact CD2-NH1 3.3Å; H72-R82 PolarHBondContact CE1-NH1 3.5Å; H72-R82 PolarHBondContact ND1-NH1 3.43Å; H72-R82 VanDerWaalsContact ND1-NH1 3.14Å; H72-R82 PolarHBondContact NE2-NH1 3.5Å; P74-R82 PolarHBondContact O-N 3.45Å; R82-D85 HydrophobicContact CB-CB 4.27Å; R82-D85 PolarHBondContact O-N 2.95Å; R82-M86 PolarHBondContact O-N 3.47Å | ||
| 83 | W | 93.8 | Very high | 92.2 | Very high | 37 Ų | 37 | 42 Ų | 42 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | -176.8 | -66.9 | 94 | 0 | 0 | 0 | 114.1 | V80 D85 M86 E87 W90 T119 K122 T123 I126 | V80-W83 HydrophobicContact CB-CH2 4.11Å; V80-W83 HydrophobicContact CB-CZ2 4.05Å; V80-W83 HydrophobicContact CB-CZ3 4.42Å; V80-W83 HydrophobicContact CG1-CD2 3.82Å; V80-W83 HydrophobicContact CG1-CE3 3.86Å; V80-W83 HydrophobicContact CG1-CG 4.4Å; V80-W83 HydrophobicContact CG1-CH2 4.18Å; V80-W83 HydrophobicContact CG1-CZ2 4.12Å; V80-W83 HydrophobicContact CG1-CZ3 4.05Å; V80-W83 HydrophobicContact CG2-CH2 4.49Å; W83-D85 PolarHBondContact O-N 3.35Å; W83-M86 PolarHBondContact O-N 2.91Å; W83-E87 PolarHBondContact O-N 3.26Å; W83-W90 HydrophobicContact CZ3-CH2 4.31Å; W83-T119 HydrophobicContact CH2-CG2 3.77Å; W83-T119 WeakPolarHBondContact CH2-O 3.46Å; W83-T119 HydrophobicContact CZ2-CG2 3.83Å; W83-K122 HydrophobicContact CD2-CD 3.64Å; W83-K122 VanDerWaalsContact CD2-CE 3.43Å; W83-K122 HydrophobicContact CD2-CG 3.95Å; W83-K122 VanDerWaalsContact CE2-CD 3.44Å; W83-K122 HydrophobicContact CE3-CD 4.17Å; W83-K122 HydrophobicContact CE3-CG 3.95Å; W83-K122 HydrophobicContact CG-CD 4.02Å; W83-K122 VanDerWaalsContact CG-NZ 3.25Å; W83-K122 HydrophobicContact CH2-CB 3.84Å; W83-K122 HydrophobicContact CH2-CD 4.27Å; W83-K122 HydrophobicContact CH2-CG 3.92Å; W83-K122 HydrophobicContact CZ2-CB 3.97Å; W83-K122 HydrophobicContact CZ2-CD 3.77Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.25Å; W83-K122 HydrophobicContact CZ3-CD 4.45Å; W83-K122 HydrophobicContact CZ3-CG 3.93Å; W83-T123 WeakPolarHBondContact CH2-OG1 3.32Å; W83-I126 HydrophobicContact CD2-CD1 4.32Å; W83-I126 HydrophobicContact CE3-CD1 3.4Å; W83-I126 VanDerWaalsContact CE3-CD1 3.4Å; W83-I126 HydrophobicContact CZ3-CD1 3.89Å |
| 84 | D | 93.4 | Very high | 92.2 | Very high | 116 Ų | 116 | 39 Ų | 39 | 62% | 0.62 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -63.7 | -33.5 | 179 | -62.7 | -25.7 | 0 | 0 | 0 | 112.1 | K88 | D84-K88 VanDerWaalsContact C-NZ 3.33Å; D84-K88 WeakPolarHBondContact O-CG 3.5Å; D84-K88 PolarHBondContact O-N 2.59Å; D84-K88 PolarHBondContact O-NZ 2.91Å |
| 85 | D | 93.3 | Very high | 92 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.3 | -34.1 | 178.3 | -70.1 | -20.4 | 0 | 0 | 0 | 110.9 | V39 H41 H72 P74 R82 W83 E87 K88 L89 | V39-D85 HydrophobicContact CB-CB 4.26Å; V39-D85 HydrophobicContact CG2-CB 4.17Å; H41-D85 IonicContact CE1-OD1 2.74Å; H41-D85 PolarHBondContact CE1-OD1 2.92Å; H41-D85 VanDerWaalsContact CE1-OD1 3.24Å; H41-D85 IonicContact NE2-OD1 3.41Å; H41-D85 PolarHBondContact NE2-OD1 3.42Å; H41-D85 IonicContact NE2-OD2 3.35Å; H41-D85 PolarHBondContact NE2-OD2 3.21Å; H72-D85 WeakPolarHBondContact CB-OD2 3.42Å; H72-D85 IonicContact CG-OD2 2.79Å; H72-D85 IonicContact ND1-OD2 3.99Å; H72-D85 PolarHBondContact ND1-OD2 3.14Å; P74-D85 HydrophobicContact CB-CB 4.13Å; R82-D85 HydrophobicContact CB-CB 4.27Å; R82-D85 PolarHBondContact O-N 2.95Å; W83-D85 PolarHBondContact O-N 3.35Å; D85-E87 PolarHBondContact O-N 2.88Å; D85-K88 PolarHBondContact O-N 3.33Å; D85-K88 IonicContact OD1-NZ 3.08Å; D85-K88 PolarHBondContact OD1-NZ 3Å; D85-L89 WeakPolarHBondContact O-CB 3.01Å; D85-L89 PolarHBondContact O-N 3.32Å |
| 86 | M | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 172.1 | -162.1 | 69.5 | -163.1 | 0 | 0 | 112.3 | N16 P74 I75 V80 R82 W83 K88 L89 W90 | N16-M86 HydrophobicContact CB-CE 4.39Å; N16-M86 WeakPolarHBondContact OD1-CE 3.48Å; P74-M86 HydrophobicContact CB-CB 4.16Å; P74-M86 HydrophobicContact CB-SD 3.99Å; P74-M86 HydrophobicContact CG-SD 4.09Å; I75-M86 HydrophobicContact CD1-CE 3.81Å; I75-M86 HydrophobicContact CD1-SD 3.95Å; I75-M86 HydrophobicContact CG1-CE 4.24Å; I75-M86 HydrophobicContact CG1-SD 3.72Å; V80-M86 HydrophobicContact CG1-CB 3.96Å; V80-M86 HydrophobicContact CG1-CG 4.03Å; V80-M86 HydrophobicContact CG1-SD 4.48Å; V80-M86 HydrophobicContact CG2-CG 4.48Å; V80-M86 HydrophobicContact CG2-SD 4.4Å; R82-M86 PolarHBondContact O-N 3.47Å; W83-M86 PolarHBondContact O-N 2.91Å; M86-K88 PolarHBondContact O-N 3.35Å; M86-L89 HydrophobicContact CE-CD2 4.12Å; M86-L89 WeakPolarHBondContact O-CB 3.04Å; M86-L89 PolarHBondContact O-N 3.49Å; M86-L89 HydrophobicContact SD-CD2 4.05Å; M86-W90 HydrophobicContact CE-CD2 4.24Å; M86-W90 HydrophobicContact CE-CH2 4.34Å; M86-W90 HydrophobicContact CE-CZ2 3.33Å; M86-W90 HydrophobicContact CG-CD2 4.05Å; M86-W90 HydrophobicContact CG-CE3 4.09Å; M86-W90 HydrophobicContact CG-CH2 3.53Å; M86-W90 HydrophobicContact CG-CZ2 3.47Å; M86-W90 VanDerWaalsContact CG-CZ2 3.47Å; M86-W90 HydrophobicContact CG-CZ3 3.86Å; M86-W90 PolarHBondContact O-N 2.94Å; M86-W90 HydrophobicContact SD-CZ2 4.26Å |
| 87 | E | 94.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 176 | -178.2 | -177.6 | 158.9 | 0 | 0 | 112 | W83 D85 L89 W90 K91 K130 F131 | W83-E87 PolarHBondContact O-N 3.26Å; D85-E87 PolarHBondContact O-N 2.88Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.1Å; E87-W90 PolarHBondContact O-N 3.39Å; E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.38Å; E87-K91 PolarHBondContact O-N 2.92Å; E87-K130 VanDerWaalsContact CD-CD 3.42Å; E87-K130 VanDerWaalsContact CD-NZ 3.28Å; E87-K130 HydrophobicContact CG-CD 4.43Å; E87-K130 WeakPolarHBondContact OE1-CD 3.49Å; E87-K130 IonicContact OE1-NZ 3.29Å; E87-K130 PolarHBondContact OE1-NZ 3.03Å; E87-K130 WeakPolarHBondContact OE2-CD 3.33Å; E87-K130 IonicContact OE2-NZ 2.58Å; E87-K130 PolarHBondContact OE2-NZ 3.16Å; E87-F131 HydrophobicContact CG-CE2 4.23Å; E87-F131 HydrophobicContact CG-CZ 4.04Å |
| 88 | K | 92.6 | Very high | 91.5 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.5 | -71.6 | 178.7 | -154.2 | 84.6 | 0 | 111.4 | V39 Y56 D84 D85 M86 K91 D92 | V39-K88 HydrophobicContact CG1-CD 4.43Å; Y56-K88 HydrophobicContact CD1-CD 3.71Å; Y56-K88 HydrophobicContact CD1-CG 4.24Å; Y56-K88 HydrophobicContact CD2-CB 4.13Å; Y56-K88 HydrophobicContact CD2-CD 4.17Å; Y56-K88 HydrophobicContact CE1-CB 4.33Å; Y56-K88 HydrophobicContact CE1-CD 3.95Å; Y56-K88 HydrophobicContact CE1-CG 3.94Å; Y56-K88 HydrophobicContact CE2-CB 3.74Å; Y56-K88 HydrophobicContact CE2-CD 4.41Å; Y56-K88 HydrophobicContact CE2-CG 4.25Å; Y56-K88 HydrophobicContact CG-CD 3.83Å; D84-K88 VanDerWaalsContact C-NZ 3.33Å; D84-K88 WeakPolarHBondContact O-CG 3.5Å; D84-K88 PolarHBondContact O-N 2.59Å; D84-K88 PolarHBondContact O-NZ 2.91Å; D85-K88 PolarHBondContact O-N 3.33Å; D85-K88 IonicContact OD1-NZ 3.08Å; D85-K88 PolarHBondContact OD1-NZ 3Å; M86-K88 PolarHBondContact O-N 3.35Å; K88-K91 PolarHBondContact O-N 3.14Å; K88-D92 WeakPolarHBondContact O-CB 3.28Å; K88-D92 PolarHBondContact O-N 3.15Å |
| 89 | L | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -52.8 | 176.4 | 176.6 | 66.1 | 0 | 0 | 0 | 111.1 | I35 V39 V58 P74 D85 M86 E87 K91 D92 L93 | I35-L89 HydrophobicContact CD1-CD1 3.58Å; V39-L89 HydrophobicContact CG2-CB 4.28Å; V58-L89 HydrophobicContact CG1-CD1 3.33Å; P74-L89 HydrophobicContact CG-CD2 4.06Å; D85-L89 WeakPolarHBondContact O-CB 3.01Å; D85-L89 PolarHBondContact O-N 3.32Å; M86-L89 HydrophobicContact CE-CD2 4.12Å; M86-L89 WeakPolarHBondContact O-CB 3.04Å; M86-L89 PolarHBondContact O-N 3.49Å; M86-L89 HydrophobicContact SD-CD2 4.05Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.1Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.4Å; L89-D92 VanDerWaalsContact O-N 3.16Å; L89-L93 HydrophobicContact CG-CD1 4.36Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.46Å |
| 90 | W | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -42 | 178.1 | -69.8 | -38.6 | 0 | 0 | 0 | 112.6 | N16 W83 M86 E87 D92 L93 F94 M109 T123 I126 M127 F131 | N16-W90 PolarHBondContact OD1-NE1 3.04Å; N16-W90 VanDerWaalsContact OD1-NE1 3.15Å; W83-W90 HydrophobicContact CZ3-CH2 4.31Å; M86-W90 HydrophobicContact CE-CD2 4.24Å; M86-W90 HydrophobicContact CE-CH2 4.34Å; M86-W90 HydrophobicContact CE-CZ2 3.33Å; M86-W90 HydrophobicContact CG-CD2 4.05Å; M86-W90 HydrophobicContact CG-CE3 4.09Å; M86-W90 HydrophobicContact CG-CH2 3.53Å; M86-W90 HydrophobicContact CG-CZ2 3.47Å; M86-W90 VanDerWaalsContact CG-CZ2 3.47Å; M86-W90 HydrophobicContact CG-CZ3 3.86Å; M86-W90 PolarHBondContact O-N 2.94Å; M86-W90 HydrophobicContact SD-CZ2 4.26Å; E87-W90 PolarHBondContact O-N 3.39Å; W90-D92 VanDerWaalsContact C-N 3.27Å; W90-D92 PolarHBondContact O-N 3.43Å; W90-L93 PolarHBondContact O-N 2.92Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.46Å; W90-M109 HydrophobicContact CD2-CE 4.48Å; W90-M109 HydrophobicContact CH2-CE 4.22Å; W90-M109 HydrophobicContact CZ2-CE 3.37Å; W90-T123 HydrophobicContact CH2-CG2 3.94Å; W90-T123 HydrophobicContact CZ2-CG2 4.31Å; W90-I126 HydrophobicContact CE3-CG2 4.14Å; W90-I126 HydrophobicContact CZ3-CB 4.42Å; W90-I126 HydrophobicContact CZ3-CD1 4.35Å; W90-I126 HydrophobicContact CZ3-CG2 3.88Å; W90-M127 HydrophobicContact CB-CE 4.41Å; W90-M127 HydrophobicContact CD2-CE 3.46Å; W90-M127 VanDerWaalsContact CD2-CE 3.46Å; W90-M127 HydrophobicContact CE3-CE 3.67Å; W90-M127 HydrophobicContact CG-CE 3.82Å; W90-M127 HydrophobicContact CH2-CE 4.36Å; W90-M127 HydrophobicContact CZ2-CE 4.18Å; W90-M127 HydrophobicContact CZ3-CE 4.11Å; W90-F131 HydrophobicContact CB-CE2 4.18Å; W90-F131 HydrophobicContact CB-CZ 3.84Å; W90-F131 HydrophobicContact CE3-CE2 4.06Å |
| 91 | K | 92.7 | Very high | 91.4 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 38% | 0.378 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -42 | 175.8 | -175.4 | 177.3 | -177.8 | 174.8 | 0 | 111.6 | E87 K88 L89 E95 F131 | E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.38Å; E87-K91 PolarHBondContact O-N 2.92Å; K88-K91 PolarHBondContact O-N 3.14Å; L89-K91 VanDerWaalsContact C-N 3.34Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.36Å; K91-E95 IonicContact NZ-OE1 3.83Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 PolarHBondContact O-N 3.21Å; K91-F131 HydrophobicContact CB-CE1 4.03Å; K91-F131 HydrophobicContact CB-CZ 4.27Å |
| 92 | D | 91.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 176.4 | -135.4 | 74.6 | 0 | 0 | 0 | 111.6 | K54 V58 K88 L89 W90 F94 E95 W96 E97 | K54-D92 WeakPolarHBondContact CE-OD1 3.49Å; K54-D92 IonicContact NZ-OD1 3.24Å; K54-D92 PolarHBondContact NZ-OD1 3.07Å; K54-D92 IonicContact NZ-OD2 2.81Å; K54-D92 PolarHBondContact NZ-OD2 3.48Å; V58-D92 HydrophobicContact CB-CB 4.17Å; V58-D92 HydrophobicContact CG1-CB 4.18Å; V58-D92 HydrophobicContact CG2-CB 3.9Å; K88-D92 WeakPolarHBondContact O-CB 3.28Å; K88-D92 PolarHBondContact O-N 3.15Å; L89-D92 WeakPolarHBondContact O-CB 3.47Å; L89-D92 PolarHBondContact O-N 3.4Å; L89-D92 VanDerWaalsContact O-N 3.16Å; W90-D92 VanDerWaalsContact C-N 3.27Å; W90-D92 PolarHBondContact O-N 3.43Å; D92-F94 PolarHBondContact O-N 3.3Å; D92-E95 PolarHBondContact O-N 2.94Å; D92-W96 WeakPolarHBondContact O-CA 3.39Å; D92-W96 WeakPolarHBondContact O-CB 3.28Å; D92-W96 PolarHBondContact O-N 2.9Å; D92-E97 PolarHBondContact O-N 2.88Å |
| 93 | L | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -61.5 | -43.1 | -179.6 | -70.4 | 174.5 | 0 | 0 | 0 | 113 | F14 V23 I35 L89 W90 E97 L98 | F14-L93 HydrophobicContact CD1-CD1 3.87Å; F14-L93 HydrophobicContact CE1-CB 3.71Å; F14-L93 HydrophobicContact CE1-CD1 3.77Å; F14-L93 HydrophobicContact CE1-CG 4.38Å; V23-L93 HydrophobicContact CB-CD2 4.43Å; V23-L93 HydrophobicContact CG1-CD2 3.83Å; I35-L93 HydrophobicContact CD1-CD1 4.24Å; I35-L93 HydrophobicContact CD1-CD2 3.2Å; I35-L93 HydrophobicContact CD1-CG 3.86Å; I35-L93 HydrophobicContact CG1-CD2 3.72Å; L89-L93 HydrophobicContact CG-CD1 4.36Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.46Å; W90-L93 PolarHBondContact O-N 2.92Å; L93-E97 HydrophobicContact CD2-CB 4.34Å; L93-E97 HydrophobicContact CD2-CG 3.88Å; L93-L98 WeakPolarHBondContact O-CB 3.41Å; L93-L98 WeakPolarHBondContact O-CG 3.19Å; L93-L98 PolarHBondContact O-N 3.04Å |
| 94 | F | 91 | Very high | 91 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -67.2 | -52.4 | 177.2 | -81.5 | -67.1 | 0 | 0 | 0 | 112.2 | V12 F14 W90 D92 G99 V100 P102 V107 M127 F131 | V12-F94 HydrophobicContact CB-CE1 4.28Å; V12-F94 HydrophobicContact CG1-CE1 4.13Å; V12-F94 HydrophobicContact CG2-CE1 4.18Å; F14-F94 HydrophobicContact CD2-CZ 4.43Å; F14-F94 HydrophobicContact CE2-CD1 4.38Å; F14-F94 AromaticContact CE2-CE1 3.58Å; F14-F94 HydrophobicContact CE2-CE1 3.58Å; F14-F94 AromaticContact CE2-CE2 3.74Å; F14-F94 HydrophobicContact CE2-CE2 3.74Å; F14-F94 AromaticContact CE2-CZ 3.21Å; F14-F94 HydrophobicContact CE2-CZ 3.21Å; F14-F94 AromaticContact CZ-CD1 3.89Å; F14-F94 HydrophobicContact CZ-CD1 3.89Å; F14-F94 AromaticContact CZ-CD2 3.89Å; F14-F94 HydrophobicContact CZ-CD2 3.89Å; F14-F94 AromaticContact CZ-CE1 3.55Å; F14-F94 HydrophobicContact CZ-CE1 3.55Å; F14-F94 AromaticContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CE2 3.54Å; F14-F94 HydrophobicContact CZ-CG 4.05Å; F14-F94 AromaticContact CZ-CZ 3.37Å; F14-F94 HydrophobicContact CZ-CZ 3.37Å; W90-F94 WeakPolarHBondContact O-CD2 3.39Å; W90-F94 PolarHBondContact O-N 3.46Å; D92-F94 PolarHBondContact O-N 3.3Å; F94-G99 PolarHBondContact O-N 3.44Å; F94-G99 VanDerWaalsContact O-N 3.09Å; F94-V100 PolarHBondContact O-N 3.09Å; F94-V100 VanDerWaalsContact O-O 3.13Å; F94-P102 HydrophobicContact CB-CG 3.92Å; F94-P102 HydrophobicContact CD1-CB 4.14Å; F94-P102 HydrophobicContact CD1-CG 3.88Å; F94-P102 HydrophobicContact CD2-CB 4.33Å; F94-P102 HydrophobicContact CD2-CG 3.87Å; F94-P102 HydrophobicContact CE1-CB 4.04Å; F94-P102 HydrophobicContact CE1-CG 4.28Å; F94-P102 HydrophobicContact CE2-CB 4.25Å; F94-P102 HydrophobicContact CE2-CG 4.28Å; F94-P102 HydrophobicContact CG-CB 4.29Å; F94-P102 HydrophobicContact CG-CG 3.66Å; F94-P102 HydrophobicContact CZ-CB 4.09Å; F94-P102 HydrophobicContact CZ-CG 4.46Å; F94-V107 HydrophobicContact CE1-CG2 4.14Å; F94-V107 HydrophobicContact CZ-CG1 4.35Å; F94-V107 HydrophobicContact CZ-CG2 3.8Å; F94-M127 HydrophobicContact CE2-SD 4.45Å; F94-F131 HydrophobicContact CD2-CD1 4.21Å; F94-F131 HydrophobicContact CD2-CE1 4.26Å; F94-F131 HydrophobicContact CE2-CD1 4.34Å |
| 95 | E | 88.6 | Confident | 90.9 | Very high | 100 Ų | 100 | 45 Ų | 45 | 47% | 0.467 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -80.1 | -38.1 | -169.5 | -68.3 | -179.4 | 175.3 | 0 | 0 | 113.3 | K91 D92 | K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact CE-OE2 3.4Å; K91-E95 HydrophobicContact CG-CG 4.36Å; K91-E95 IonicContact NZ-OE1 3.83Å; K91-E95 WeakPolarHBondContact O-CB 3.43Å; K91-E95 PolarHBondContact O-N 3.21Å; D92-E95 PolarHBondContact O-N 2.94Å |
| 96 | W | 85.5 | Confident | 91 | Very high | 123 Ų | 123 | 44.6 Ų | 44.6 | 47% | 0.466 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -105.9 | -45 | -167.9 | -62.2 | 85.4 | 0 | 0 | 0 | 113.3 | R53 K54 D92 | R53-W96 HydrophobicContact CB-CZ2 4.45Å; K54-W96 VanDerWaalsContact NZ-CD2 3.34Å; D92-W96 WeakPolarHBondContact O-CA 3.39Å; D92-W96 WeakPolarHBondContact O-CB 3.28Å; D92-W96 PolarHBondContact O-N 2.9Å |
| 97 | E | 86.9 | Confident | 91 | Very high | 61 Ų | 61 | 44.5 Ų | 44.5 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -77.3 | -56.5 | 179.2 | -61.1 | -58.8 | 142.3 | 0 | 0 | 110.8 | H33 D92 L93 | H33-E97 HydrophobicContact CB-CB 4.38Å; H33-E97 IonicContact CE1-OE2 2.74Å; H33-E97 PolarHBondContact CE1-OE2 3.02Å; H33-E97 IonicContact CG-OE2 3.15Å; H33-E97 IonicContact ND1-OE2 2.77Å; H33-E97 PolarHBondContact ND1-OE2 3.36Å; H33-E97 PolarHBondContact NE2-O 2.66Å; D92-E97 PolarHBondContact O-N 2.88Å; L93-E97 HydrophobicContact CD2-CB 4.34Å; L93-E97 HydrophobicContact CD2-CG 3.88Å |
| 98 | L | 89.1 | Confident | 91.1 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -81.6 | -31.4 | -177.5 | -65.9 | 176.9 | 0 | 0 | 0 | 113.7 | V12 V23 L93 V100 | V12-L98 HydrophobicContact CB-CD1 4.47Å; V12-L98 HydrophobicContact CG1-CD1 3.34Å; V12-L98 HydrophobicContact CG2-CD1 4.28Å; V23-L98 HydrophobicContact CG1-CD2 4.28Å; V23-L98 HydrophobicContact CG1-CG 4.38Å; V23-L98 HydrophobicContact CG2-CD1 3.56Å; V23-L98 HydrophobicContact CG2-CD2 4.09Å; V23-L98 HydrophobicContact CG2-CG 3.96Å; L93-L98 WeakPolarHBondContact O-CB 3.41Å; L93-L98 WeakPolarHBondContact O-CG 3.19Å; L93-L98 PolarHBondContact O-N 3.04Å; L98-V100 VanDerWaalsContact C-N 3.27Å; L98-V100 HydrophobicContact CB-CB 4.19Å; L98-V100 HydrophobicContact CB-CG2 4.03Å; L98-V100 PolarHBondContact O-N 3.28Å |
| 99 | G | 88.9 | Confident | 91.3 | Very high | 61 Ų | 61 | 39.6 Ų | 39.6 | 63% | 0.629 | 20% | 0.204 | S | C | * | . | trans | 65.8 | 30 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F94 | F94-G99 PolarHBondContact O-N 3.44Å; F94-G99 VanDerWaalsContact O-N 3.09Å | ||
| 100 | V | 89.2 | Confident | 91.3 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 14% | 0.139 | 21% | 0.205 | C | C | . | . | trans | -112.3 | 140.2 | -175 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | V12 F94 L98 P102 Q105 | V12-V100 HydrophobicContact CG2-CG1 4.29Å; F94-V100 PolarHBondContact O-N 3.09Å; F94-V100 VanDerWaalsContact O-O 3.13Å; L98-V100 VanDerWaalsContact C-N 3.27Å; L98-V100 HydrophobicContact CB-CB 4.19Å; L98-V100 HydrophobicContact CB-CG2 4.03Å; L98-V100 PolarHBondContact O-N 3.28Å; V100-P102 WeakPolarHBondContact O-CD 3.35Å; V100-Q105 HydrophobicContact CG1-CB 4.33Å; V100-Q105 HydrophobicContact CG1-CG 3.84Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.26Å | ||
| 101 | K | 90.9 | Very high | 91.2 | Very high | 129 Ų | 129 | 40.4 Ų | 40.4 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | trans | -78.2 | 124.7 | 170.3 | -70 | -178 | -167.4 | 162.4 | 0 | 110.6 | S103 E104 | K101-S103 PolarHBondContact O-N 2.81Å; K101-S103 VanDerWaalsContact O-N 3.14Å; K101-E104 HydrophobicContact CB-CG 4.31Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.8Å; K101-E104 PolarHBondContact NZ-OE1 3.26Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-E104 VanDerWaalsContact O-N 3.16Å | ||
| 102 | P | 90.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -59.2 | -29.1 | -179.5 | -18.9 | 26.3 | 0 | 0 | 0 | 113.8 | F94 V100 E104 F131 V133 | F94-P102 HydrophobicContact CB-CG 3.92Å; F94-P102 HydrophobicContact CD1-CB 4.14Å; F94-P102 HydrophobicContact CD1-CG 3.88Å; F94-P102 HydrophobicContact CD2-CB 4.33Å; F94-P102 HydrophobicContact CD2-CG 3.87Å; F94-P102 HydrophobicContact CE1-CB 4.04Å; F94-P102 HydrophobicContact CE1-CG 4.28Å; F94-P102 HydrophobicContact CE2-CB 4.25Å; F94-P102 HydrophobicContact CE2-CG 4.28Å; F94-P102 HydrophobicContact CG-CB 4.29Å; F94-P102 HydrophobicContact CG-CG 3.66Å; F94-P102 HydrophobicContact CZ-CB 4.09Å; F94-P102 HydrophobicContact CZ-CG 4.46Å; V100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-E104 PolarHBondContact O-N 2.92Å; P102-F131 HydrophobicContact CB-CB 3.91Å; P102-F131 HydrophobicContact CB-CD1 4.32Å; P102-F131 WeakPolarHBondContact CB-O 3.2Å; P102-F131 HydrophobicContact CG-CB 4.44Å; P102-F131 HydrophobicContact CG-CD1 3.95Å; P102-V133 HydrophobicContact CB-CG1 4.23Å |
| 103 | S | 90.3 | Very high | 91 | Very high | 63 Ų | 63 | 37 Ų | 37 | 44% | 0.441 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -72.1 | -14.3 | -178 | 60.1 | 0 | 0 | 0 | 0 | 115 | K101 N132 | K101-S103 PolarHBondContact O-N 2.81Å; K101-S103 VanDerWaalsContact O-N 3.14Å; S103-N132 WeakPolarHBondContact CA-O 3.31Å |
| 104 | E | 89.4 | Confident | 90.9 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -103.7 | -10.7 | -173.3 | -67.2 | 175.8 | -172.9 | 0 | 0 | 112.7 | K101 P102 | K101-E104 HydrophobicContact CB-CG 4.31Å; K101-E104 WeakPolarHBondContact CD-OE1 3.44Å; K101-E104 IonicContact NZ-OE1 2.8Å; K101-E104 PolarHBondContact NZ-OE1 3.26Å; K101-E104 PolarHBondContact O-N 2.99Å; K101-E104 VanDerWaalsContact O-N 3.16Å; P102-E104 PolarHBondContact O-N 2.92Å |
| 105 | Q | 90.9 | Very high | 90.9 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -130.9 | 140.8 | -174.8 | -66 | -166.3 | -10.3 | 0 | 0 | 112.8 | T9 V12 V100 P134 | T9-Q105 HydrophobicContact CG2-CG 4.02Å; V12-Q105 HydrophobicContact CG2-CB 4.02Å; V100-Q105 HydrophobicContact CG1-CB 4.33Å; V100-Q105 HydrophobicContact CG1-CG 3.84Å; V100-Q105 VanDerWaalsContact CG1-OE1 3.26Å; Q105-P134 VanDerWaalsContact C-CG 3.49Å; Q105-P134 WeakPolarHBondContact O-CD 2.99Å; Q105-P134 WeakPolarHBondContact O-CG 3.45Å |
| 106 | P | 94.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | trans | -67.1 | 150.8 | 171.2 | 27.4 | -29.5 | 0 | 0 | 0 | 110.6 | A11 V12 A135 W357 | A11-P106 CarbonylContact C-O 3.57Å; A11-P106 VanDerWaalsContact CA-O 3.23Å; A11-P106 WeakPolarHBondContact CA-O 3.29Å; A11-P106 HydrophobicContact CB-CB 4.36Å; A11-P106 HydrophobicContact CB-CG 3.92Å; A11-P106 WeakPolarHBondContact CB-O 3.32Å; V12-P106 PolarHBondContact N-O 2.98Å; P106-A135 HydrophobicContact CB-CB 4.1Å; P106-W357 HydrophobicContact CB-CE3 4.43Å; P106-W357 HydrophobicContact CB-CH2 4Å; P106-W357 HydrophobicContact CB-CZ2 4.13Å; P106-W357 HydrophobicContact CB-CZ3 4.16Å | ||
| 107 | V | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.5 | -172.3 | -179 | 0 | 0 | 0 | 0 | 110.9 | V12 F14 F94 M109 V133 A135 L136 Y137 W357 | V12-V107 CarbonylContact O-C 3.46Å; V12-V107 WeakPolarHBondContact O-CA 3.45Å; F14-V107 HydrophobicContact CD2-CG1 3.59Å; F14-V107 HydrophobicContact CE2-CG1 3.71Å; F94-V107 HydrophobicContact CE1-CG2 4.14Å; F94-V107 HydrophobicContact CZ-CG1 4.35Å; F94-V107 HydrophobicContact CZ-CG2 3.8Å; V107-M109 HydrophobicContact CG1-CG 3.76Å; V107-M109 HydrophobicContact CG1-SD 4.32Å; V107-V133 HydrophobicContact CB-CG1 4.47Å; V107-V133 HydrophobicContact CG2-CB 4.08Å; V107-V133 HydrophobicContact CG2-CG1 3.64Å; V107-A135 PolarHBondContact N-O 3.48Å; V107-L136 HydrophobicContact CB-CD1 4.3Å; V107-L136 HydrophobicContact CG1-CD1 4.26Å; V107-L136 CarbonylContact O-C 3.48Å; V107-L136 VanDerWaalsContact O-CA 3.29Å; V107-L136 WeakPolarHBondContact O-CA 3.34Å; V107-L136 WeakPolarHBondContact O-CD1 3.45Å; V107-Y137 PolarHBondContact O-N 2.63Å; V107-W357 WeakPolarHBondContact O-CZ3 3.36Å |
| 108 | F | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.9 | 170.1 | -175.7 | -81.4 | 0 | 0 | 0 | 109 | V12 I13 F14 T110 Y137 C139 G344 M347 T348 F353 W357 | V12-F108 PolarHBondContact O-N 2.81Å; I13-F108 CarbonylContact C-O 3.52Å; I13-F108 WeakPolarHBondContact CA-O 3.43Å; I13-F108 HydrophobicContact CG1-CB 4.21Å; I13-F108 HydrophobicContact CG2-CD1 3.93Å; F14-F108 PolarHBondContact N-O 2.85Å; F108-T110 HydrophobicContact CE1-CG2 4.07Å; F108-Y137 AromaticContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CG 4.38Å; F108-Y137 AromaticContact CE2-CD1 3.5Å; F108-Y137 HydrophobicContact CE2-CD1 3.5Å; F108-Y137 VanDerWaalsContact CE2-CD1 3.5Å; F108-Y137 AromaticContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CG 4.5Å; F108-Y137 HydrophobicContact CZ-CD1 4.35Å; F108-C139 HydrophobicContact CE1-CB 3.63Å; F108-C139 HydrophobicContact CE2-CB 3.79Å; F108-C139 HydrophobicContact CZ-CB 3.14Å; F108-G344 VanDerWaalsContact CE1-CA 3.5Å; F108-M347 HydrophobicContact CZ-SD 4.33Å; F108-T348 HydrophobicContact CB-CG2 3.78Å; F108-T348 HydrophobicContact CD2-CG2 3.36Å; F108-T348 HydrophobicContact CE2-CG2 4.07Å; F108-T348 HydrophobicContact CG-CG2 3.78Å; F108-F353 HydrophobicContact CD2-CE1 4.17Å; F108-F353 AromaticContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CE2-CE1 4.47Å; F108-F353 HydrophobicContact CE2-CE2 4.35Å; F108-F353 AromaticContact CE2-CZ 3.74Å; F108-F353 HydrophobicContact CE2-CZ 3.74Å; F108-W357 HydrophobicContact CB-CH2 4.06Å; F108-W357 HydrophobicContact CB-CZ3 4.45Å |
| 109 | M | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.3 | 177.7 | -53.9 | 179.9 | 69.3 | 0 | 0 | 110.3 | F14 N16 W90 V107 T123 M127 L136 Y137 L138 C139 | F14-M109 HydrophobicContact CB-CG 4.24Å; F14-M109 HydrophobicContact CD2-CG 4.32Å; F14-M109 CarbonylContact O-C 3.58Å; F14-M109 WeakPolarHBondContact O-CA 3.26Å; N16-M109 VanDerWaalsContact ND2-CE 3.28Å; N16-M109 WeakPolarHBondContact ND2-CE 3.39Å; W90-M109 HydrophobicContact CD2-CE 4.48Å; W90-M109 HydrophobicContact CH2-CE 4.22Å; W90-M109 HydrophobicContact CZ2-CE 3.37Å; V107-M109 HydrophobicContact CG1-CG 3.76Å; V107-M109 HydrophobicContact CG1-SD 4.32Å; M109-T123 HydrophobicContact CE-CG2 3.93Å; M109-T123 HydrophobicContact SD-CG2 3.93Å; M109-M127 HydrophobicContact CE-CE 3.41Å; M109-M127 VanDerWaalsContact CE-CE 3.41Å; M109-M127 HydrophobicContact SD-CE 3.39Å; M109-M127 WeakPolarHBondContact SD-CE 3.47Å; M109-M127 HydrophobicContact SD-CG 3.88Å; M109-M127 HydrophobicContact SD-SD 4.23Å; M109-L136 HydrophobicContact CG-CD1 3.95Å; M109-L136 HydrophobicContact SD-CD1 3.74Å; M109-Y137 PolarHBondContact N-O 3.47Å; M109-L138 HydrophobicContact CB-CD2 3.78Å; M109-L138 HydrophobicContact CG-CD2 4.39Å; M109-L138 CarbonylContact O-C 3.46Å; M109-L138 WeakPolarHBondContact O-CA 3.38Å; M109-L138 HydrophobicContact SD-CD2 4.25Å; M109-C139 PolarHBondContact O-N 3.01Å |
| 110 | T | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 151.6 | 170.4 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | F14 D15 N16 F108 C139 H141 | F14-T110 PolarHBondContact O-N 3.25Å; D15-T110 WeakPolarHBondContact CA-OG1 3.29Å; D15-T110 HydrophobicContact CB-CG2 4.36Å; D15-T110 PolarHBondContact OD1-OG1 2.97Å; N16-T110 PolarHBondContact N-OG1 2.89Å; N16-T110 VanDerWaalsContact N-OG1 3.11Å; N16-T110 PolarHBondContact ND2-O 3.49Å; F108-T110 HydrophobicContact CE1-CG2 4.07Å; T110-C139 CarbonylContact C-O 3.12Å; T110-C139 WeakPolarHBondContact CA-O 3.48Å; T110-H141 WeakPolarHBondContact CB-CD2 3.36Å; T110-H141 PolarHBondContact OG1-CD2 3.46Å; T110-H141 PolarHBondContact OG1-NE2 3.41Å |
| 111 | E | 92.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.3 | 177 | 70.2 | 178.2 | 166.4 | 0 | 0 | 111.8 | N115 R120 C139 N140 H141 | E111-N115 PolarHBondContact OE2-ND2 3.02Å; E111-R120 VanDerWaalsContact CD-NE 3.34Å; E111-R120 IonicContact OE1-CZ 2.74Å; E111-R120 IonicContact OE1-NE 3.66Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH2 2.93Å; E111-R120 PolarHBondContact OE1-NH2 2.92Å; E111-R120 VanDerWaalsContact OE2-CG 3.29Å; E111-R120 WeakPolarHBondContact OE2-CG 3.47Å; E111-R120 IonicContact OE2-NE 3.03Å; E111-R120 PolarHBondContact OE2-NE 2.87Å; E111-R120 VanDerWaalsContact OE2-NE 3.08Å; E111-C139 PolarHBondContact N-O 2.73Å; E111-N140 WeakPolarHBondContact O-CA 3.04Å; E111-H141 PolarHBondContact O-N 2.78Å |
| 112 | P | 91.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | trans | -67.5 | 153.4 | 174.2 | 32.5 | -40.5 | 0 | 0 | 0 | 111.5 | G78 N115 | G78-P112 WeakPolarHBondContact O-CG 3.4Å; P112-N115 HydrophobicContact CG-CB 4.22Å; P112-N115 WeakPolarHBondContact O-CB 3.27Å; P112-N115 PolarHBondContact O-N 2.97Å | ||
| 113 | S | 88.9 | Confident | 92.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 148.3 | 172.7 | -36.7 | 0 | 0 | 0 | 0 | 111.2 | N115 N140 V167 K181 | S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 3.23Å; S113-N140 PolarHBondContact OG-ND2 3.49Å; S113-N140 PolarHBondContact OG-OD1 2.97Å; S113-V167 VanDerWaalsContact OG-CG2 3.27Å; S113-V167 WeakPolarHBondContact OG-CG2 3.44Å; S113-K181 WeakPolarHBondContact O-CE 3.42Å; S113-K181 PolarHBondContact O-NZ 3.02Å |
| 114 | L | 88.9 | Confident | 93 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.5 | -176 | -51.6 | 174.5 | 0 | 0 | 0 | 113 | I179 | L114-I179 HydrophobicContact CD1-CB 4.07Å; L114-I179 HydrophobicContact CD1-CG2 3.93Å; L114-I179 HydrophobicContact CD2-CD1 4.16Å; L114-I179 HydrophobicContact CG-CB 4.4Å; L114-I179 HydrophobicContact CG-CD1 4.1Å; L114-I179 HydrophobicContact CG-CG2 4.23Å |
| 115 | N | 91.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | trans | -67.4 | 134.9 | 173.4 | -164.2 | 18.4 | 0 | 0 | 0 | 110.2 | E111 P112 S113 R117 R120 | E111-N115 PolarHBondContact OE2-ND2 3.02Å; P112-N115 HydrophobicContact CG-CB 4.22Å; P112-N115 WeakPolarHBondContact O-CB 3.27Å; P112-N115 PolarHBondContact O-N 2.97Å; S113-N115 VanDerWaalsContact C-N 3.28Å; S113-N115 PolarHBondContact O-N 3.23Å; N115-R117 PolarHBondContact O-N 3.47Å; N115-R120 HydrophobicContact CB-CG 4.17Å | ||
| 116 | P | 92.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | trans | -56.9 | 139.7 | 175.7 | -26.9 | 36 | 0 | 0 | 0 | 112.1 | L79 E118 T119 R120 | L79-P116 HydrophobicContact CD2-CG 4.29Å; P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.44Å; P116-T119 WeakPolarHBondContact O-CB 3.32Å; P116-T119 PolarHBondContact O-N 3.02Å; P116-R120 PolarHBondContact O-N 3.39Å | ||
| 117 | R | 92.4 | Very high | 93.6 | Very high | 173 Ų | 173 | 39.4 Ų | 39.4 | 65% | 0.653 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -57.7 | -40.5 | -176.6 | -66.4 | -176.6 | -179.4 | 176.5 | 0.1 | 112.4 | N115 T119 R120 E121 Q372 | N115-R117 PolarHBondContact O-N 3.47Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 2.95Å; R117-R120 PolarHBondContact O-N 3.21Å; R117-R120 VanDerWaalsContact O-N 3.15Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; R117-Q372 PolarHBondContact O-NE2 3.49Å |
| 118 | E | 92.7 | Very high | 93.5 | Very high | 158 Ų | 158 | 40 Ų | 40 | 74% | 0.738 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -57.8 | -40.6 | 176.8 | -62.1 | 175.7 | -172.1 | 0 | 0 | 112.1 | P116 E121 K122 | P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.44Å; E118-E121 PolarHBondContact O-N 3.38Å; E118-K122 VanDerWaalsContact O-CB 3.26Å; E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 PolarHBondContact O-N 3.16Å |
| 119 | T | 92.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | V80 W83 P116 R117 T123 | V80-T119 HydrophobicContact CB-CG2 4.49Å; W83-T119 HydrophobicContact CH2-CG2 3.77Å; W83-T119 WeakPolarHBondContact CH2-O 3.46Å; W83-T119 HydrophobicContact CZ2-CG2 3.83Å; P116-T119 WeakPolarHBondContact O-CB 3.32Å; P116-T119 PolarHBondContact O-N 3.02Å; R117-T119 VanDerWaalsContact C-N 3.29Å; R117-T119 PolarHBondContact O-N 2.95Å; T119-T123 WeakPolarHBondContact O-CB 3.35Å; T119-T123 PolarHBondContact O-N 2.98Å; T119-T123 PolarHBondContact O-OG1 3.46Å |
| 120 | R | 93.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 177.9 | -54.1 | -175.4 | 76.7 | -162.1 | 10.6 | 111.2 | E111 N115 P116 R117 T123 T124 L138 V371 C375 | E111-R120 VanDerWaalsContact CD-NE 3.34Å; E111-R120 IonicContact OE1-CZ 2.74Å; E111-R120 IonicContact OE1-NE 3.66Å; E111-R120 PolarHBondContact OE1-NE 2.82Å; E111-R120 IonicContact OE1-NH2 2.93Å; E111-R120 PolarHBondContact OE1-NH2 2.92Å; E111-R120 VanDerWaalsContact OE2-CG 3.29Å; E111-R120 WeakPolarHBondContact OE2-CG 3.47Å; E111-R120 IonicContact OE2-NE 3.03Å; E111-R120 PolarHBondContact OE2-NE 2.87Å; E111-R120 VanDerWaalsContact OE2-NE 3.08Å; N115-R120 HydrophobicContact CB-CG 4.17Å; P116-R120 PolarHBondContact O-N 3.39Å; R117-R120 PolarHBondContact O-N 3.21Å; R117-R120 VanDerWaalsContact O-N 3.15Å; R120-T123 PolarHBondContact O-N 3.3Å; R120-T124 WeakPolarHBondContact O-CB 3.45Å; R120-T124 PolarHBondContact O-N 3.15Å; R120-T124 PolarHBondContact O-OG1 2.9Å; R120-L138 HydrophobicContact CB-CD1 3.99Å; R120-L138 HydrophobicContact CG-CD1 4.45Å; R120-V371 HydrophobicContact CB-CG1 4.05Å; R120-C375 PolarHBondContact NH1-O 3.15Å; R120-C375 VanDerWaalsContact NH2-CB 3.29Å; R120-C375 PolarHBondContact NH2-O 3.15Å |
| 121 | E | 94.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 178.7 | -73.5 | 173 | -169.9 | 0 | 0 | 111.2 | R117 E118 T123 T124 E125 A368 | R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.8Å; E118-E121 PolarHBondContact O-N 3.38Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 2.85Å; E121-T124 WeakPolarHBondContact O-CA 3.47Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.36Å; E121-T124 PolarHBondContact O-N 3.24Å; E121-T124 VanDerWaalsContact O-N 3.11Å; E121-E125 PolarHBondContact O-N 2.88Å; E121-A368 HydrophobicContact CB-CB 3.77Å; E121-A368 HydrophobicContact CG-CB 4.05Å |
| 122 | K | 94.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -36 | 177.7 | -172.9 | 162.2 | 179.2 | -176.1 | 0 | 113.5 | W83 E118 T124 E125 I126 | W83-K122 HydrophobicContact CD2-CD 3.64Å; W83-K122 VanDerWaalsContact CD2-CE 3.43Å; W83-K122 HydrophobicContact CD2-CG 3.95Å; W83-K122 VanDerWaalsContact CE2-CD 3.44Å; W83-K122 HydrophobicContact CE3-CD 4.17Å; W83-K122 HydrophobicContact CE3-CG 3.95Å; W83-K122 HydrophobicContact CG-CD 4.02Å; W83-K122 VanDerWaalsContact CG-NZ 3.25Å; W83-K122 HydrophobicContact CH2-CB 3.84Å; W83-K122 HydrophobicContact CH2-CD 4.27Å; W83-K122 HydrophobicContact CH2-CG 3.92Å; W83-K122 HydrophobicContact CZ2-CB 3.97Å; W83-K122 HydrophobicContact CZ2-CD 3.77Å; W83-K122 HydrophobicContact CZ2-CG 3.95Å; W83-K122 HydrophobicContact CZ3-CB 4.25Å; W83-K122 HydrophobicContact CZ3-CD 4.45Å; W83-K122 HydrophobicContact CZ3-CG 3.93Å; E118-K122 VanDerWaalsContact O-CB 3.26Å; E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 PolarHBondContact O-N 3.16Å; K122-T124 VanDerWaalsContact C-N 3.3Å; K122-E125 PolarHBondContact O-N 2.87Å; K122-I126 HydrophobicContact CG-CD1 4.16Å; K122-I126 VanDerWaalsContact O-CG1 3.31Å; K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 2.82Å |
| 123 | T | 94.8 | Very high | 93.7 | Very high | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 172.6 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | W83 W90 M109 T119 R120 E121 I126 M127 L138 | W83-T123 WeakPolarHBondContact CH2-OG1 3.32Å; W90-T123 HydrophobicContact CH2-CG2 3.94Å; W90-T123 HydrophobicContact CZ2-CG2 4.31Å; M109-T123 HydrophobicContact CE-CG2 3.93Å; M109-T123 HydrophobicContact SD-CG2 3.93Å; T119-T123 WeakPolarHBondContact O-CB 3.35Å; T119-T123 PolarHBondContact O-N 2.98Å; T119-T123 PolarHBondContact O-OG1 3.46Å; R120-T123 PolarHBondContact O-N 3.3Å; E121-T123 VanDerWaalsContact C-N 3.35Å; E121-T123 PolarHBondContact O-N 2.85Å; T123-I126 PolarHBondContact O-N 3.42Å; T123-M127 WeakPolarHBondContact O-CG 3.38Å; T123-M127 PolarHBondContact O-N 3.12Å; T123-L138 HydrophobicContact CG2-CD2 4.31Å |
| 124 | T | 95 | Very high | 94 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | R120 E121 K122 M127 F128 L136 F363 | R120-T124 WeakPolarHBondContact O-CB 3.45Å; R120-T124 PolarHBondContact O-N 3.15Å; R120-T124 PolarHBondContact O-OG1 2.9Å; E121-T124 WeakPolarHBondContact O-CA 3.47Å; E121-T124 VanDerWaalsContact O-CB 3.31Å; E121-T124 WeakPolarHBondContact O-CB 3.36Å; E121-T124 PolarHBondContact O-N 3.24Å; E121-T124 VanDerWaalsContact O-N 3.11Å; K122-T124 VanDerWaalsContact C-N 3.3Å; T124-M127 PolarHBondContact O-N 3.32Å; T124-F128 HydrophobicContact CG2-CD2 3.61Å; T124-F128 HydrophobicContact CG2-CE2 3.69Å; T124-F128 WeakPolarHBondContact O-CD2 3.23Å; T124-F128 PolarHBondContact O-N 3.39Å; T124-L136 HydrophobicContact CG2-CD2 4.08Å; T124-F363 HydrophobicContact CG2-CD2 3.79Å; T124-F363 HydrophobicContact CG2-CE2 3.97Å |
| 125 | E | 95.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57 | -50.2 | 175.6 | -174.4 | -173 | 162.5 | 0 | 0 | 111.4 | E121 K122 M127 F128 E129 | E121-E125 PolarHBondContact O-N 2.88Å; K122-E125 PolarHBondContact O-N 2.87Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.83Å; E125-F128 PolarHBondContact O-N 2.82Å; E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 VanDerWaalsContact O-CB 3.23Å; E125-E129 WeakPolarHBondContact O-CB 3.43Å; E125-E129 WeakPolarHBondContact O-CG 3.33Å; E125-E129 PolarHBondContact O-N 3.11Å |
| 126 | I | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -61.2 | -43.7 | 179.8 | -69.1 | 166.2 | 0 | 0 | 0 | 111.3 | W83 W90 K122 T123 K130 F131 | W83-I126 HydrophobicContact CD2-CD1 4.32Å; W83-I126 HydrophobicContact CE3-CD1 3.4Å; W83-I126 VanDerWaalsContact CE3-CD1 3.4Å; W83-I126 HydrophobicContact CZ3-CD1 3.89Å; W90-I126 HydrophobicContact CE3-CG2 4.14Å; W90-I126 HydrophobicContact CZ3-CB 4.42Å; W90-I126 HydrophobicContact CZ3-CD1 4.35Å; W90-I126 HydrophobicContact CZ3-CG2 3.88Å; K122-I126 HydrophobicContact CG-CD1 4.16Å; K122-I126 VanDerWaalsContact O-CG1 3.31Å; K122-I126 WeakPolarHBondContact O-CG1 3.49Å; K122-I126 PolarHBondContact O-N 2.82Å; T123-I126 PolarHBondContact O-N 3.42Å; I126-K130 HydrophobicContact CG2-CB 4.48Å; I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CA 3.36Å; I126-K130 VanDerWaalsContact O-CB 3.3Å; I126-K130 WeakPolarHBondContact O-CB 3.46Å; I126-K130 PolarHBondContact O-N 2.69Å; I126-F131 HydrophobicContact CG2-CD2 3.86Å; I126-F131 HydrophobicContact CG2-CE2 3.61Å; I126-F131 WeakPolarHBondContact O-CD2 3.28Å; I126-F131 PolarHBondContact O-N 2.83Å |
| 127 | M | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -65.5 | -44.4 | -179.2 | -73.2 | -59.4 | 175.5 | 0 | 0 | 112.4 | W90 F94 M109 T123 T124 E125 F131 N132 V133 L136 | W90-M127 HydrophobicContact CB-CE 4.41Å; W90-M127 HydrophobicContact CD2-CE 3.46Å; W90-M127 VanDerWaalsContact CD2-CE 3.46Å; W90-M127 HydrophobicContact CE3-CE 3.67Å; W90-M127 HydrophobicContact CG-CE 3.82Å; W90-M127 HydrophobicContact CH2-CE 4.36Å; W90-M127 HydrophobicContact CZ2-CE 4.18Å; W90-M127 HydrophobicContact CZ3-CE 4.11Å; F94-M127 HydrophobicContact CE2-SD 4.45Å; M109-M127 HydrophobicContact CE-CE 3.41Å; M109-M127 VanDerWaalsContact CE-CE 3.41Å; M109-M127 HydrophobicContact SD-CE 3.39Å; M109-M127 WeakPolarHBondContact SD-CE 3.47Å; M109-M127 HydrophobicContact SD-CG 3.88Å; M109-M127 HydrophobicContact SD-SD 4.23Å; T123-M127 WeakPolarHBondContact O-CG 3.38Å; T123-M127 PolarHBondContact O-N 3.12Å; T124-M127 PolarHBondContact O-N 3.32Å; E125-M127 VanDerWaalsContact C-N 3.34Å; E125-M127 PolarHBondContact O-N 2.83Å; M127-F131 CarbonylContact O-C 3.5Å; M127-F131 WeakPolarHBondContact O-CB 3.32Å; M127-F131 PolarHBondContact O-N 3.47Å; M127-F131 HydrophobicContact SD-CB 4.42Å; M127-F131 HydrophobicContact SD-CD2 3.77Å; M127-F131 HydrophobicContact SD-CE2 4.42Å; M127-F131 HydrophobicContact SD-CG 4.32Å; M127-N132 PolarHBondContact O-N 3.16Å; M127-N132 VanDerWaalsContact O-N 3.09Å; M127-V133 HydrophobicContact CB-CG1 4.48Å; M127-V133 HydrophobicContact CB-CG2 3.94Å; M127-V133 WeakPolarHBondContact O-CG2 3.32Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.17Å; M127-V133 HydrophobicContact SD-CG1 4.43Å; M127-L136 HydrophobicContact CB-CD1 4.39Å; M127-L136 HydrophobicContact CB-CD2 4.11Å; M127-L136 HydrophobicContact CG-CD1 4.2Å; M127-L136 HydrophobicContact CG-CD2 4.44Å |
| 128 | F | 95.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -79 | -40 | -180 | -75.2 | -62.3 | 0 | 0 | 0 | 113.7 | T124 E125 N132 V133 L136 V358 A360 F363 | T124-F128 HydrophobicContact CG2-CD2 3.61Å; T124-F128 HydrophobicContact CG2-CE2 3.69Å; T124-F128 WeakPolarHBondContact O-CD2 3.23Å; T124-F128 PolarHBondContact O-N 3.39Å; E125-F128 PolarHBondContact O-N 2.82Å; F128-N132 VanDerWaalsContact O-CA 3.26Å; F128-N132 WeakPolarHBondContact O-CA 3.2Å; F128-N132 PolarHBondContact O-N 2.85Å; F128-V133 HydrophobicContact CD1-CG2 3.78Å; F128-V133 WeakPolarHBondContact CD1-O 3.13Å; F128-V133 HydrophobicContact CE1-CG2 3.81Å; F128-V133 WeakPolarHBondContact CE1-O 3.39Å; F128-V133 HydrophobicContact CG-CG2 4.38Å; F128-V133 HydrophobicContact CZ-CG2 4.43Å; F128-L136 HydrophobicContact CE2-CB 3.86Å; F128-L136 HydrophobicContact CE2-CD2 4.15Å; F128-L136 HydrophobicContact CZ-CB 3.67Å; F128-V358 HydrophobicContact CE2-CG1 3.9Å; F128-V358 HydrophobicContact CZ-CB 4.45Å; F128-V358 HydrophobicContact CZ-CG1 3.97Å; F128-V358 WeakPolarHBondContact CZ-O 3.4Å; F128-A360 HydrophobicContact CD1-CB 3.95Å; F128-A360 HydrophobicContact CE1-CB 3.95Å; F128-F363 HydrophobicContact CB-CD1 3.62Å; F128-F363 HydrophobicContact CB-CD2 4.41Å; F128-F363 HydrophobicContact CB-CE1 3.74Å; F128-F363 HydrophobicContact CB-CG 3.98Å; F128-F363 HydrophobicContact CB-CZ 4.2Å; F128-F363 HydrophobicContact CD1-CB 4.48Å; F128-F363 HydrophobicContact CD2-CB 3.76Å; F128-F363 HydrophobicContact CD2-CD1 4.11Å; F128-F363 AromaticContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CE2 4.19Å; F128-F363 AromaticContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CE2-CB 3.93Å; F128-F363 HydrophobicContact CE2-CD2 4.23Å; F128-F363 HydrophobicContact CE2-CG 4.18Å; F128-F363 HydrophobicContact CG-CB 4.06Å; F128-F363 AromaticContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD2 4.27Å; F128-F363 HydrophobicContact CG-CE1 4.49Å; F128-F363 AromaticContact CG-CG 3.82Å; F128-F363 HydrophobicContact CG-CG 3.82Å; F128-F363 HydrophobicContact CZ-CB 4.39Å |
| 129 | E | 94.9 | Very high | 94.8 | Very high | 111 Ų | 111 | 32.5 Ų | 32.5 | 52% | 0.519 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -85.5 | -44 | -174.2 | -61.4 | -169.5 | 170.2 | 0 | 0 | 112.9 | E125 F363 | E125-E129 HydrophobicContact CG-CG 4.21Å; E125-E129 VanDerWaalsContact O-CB 3.23Å; E125-E129 WeakPolarHBondContact O-CB 3.43Å; E125-E129 WeakPolarHBondContact O-CG 3.33Å; E125-E129 PolarHBondContact O-N 3.11Å; E129-F363 HydrophobicContact CG-CE1 4.02Å; E129-F363 HydrophobicContact CG-CZ 4.17Å |
| 130 | K | 94.3 | Very high | 94.8 | Very high | 112 Ų | 112 | 32 Ų | 32 | 49% | 0.487 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -88.3 | -47.9 | -177.2 | -58.2 | -162.8 | 177.3 | -171.5 | 0 | 112 | E87 I126 N132 | E87-K130 VanDerWaalsContact CD-CD 3.42Å; E87-K130 VanDerWaalsContact CD-NZ 3.28Å; E87-K130 HydrophobicContact CG-CD 4.43Å; E87-K130 WeakPolarHBondContact OE1-CD 3.49Å; E87-K130 IonicContact OE1-NZ 3.29Å; E87-K130 PolarHBondContact OE1-NZ 3.03Å; E87-K130 WeakPolarHBondContact OE2-CD 3.33Å; E87-K130 IonicContact OE2-NZ 2.58Å; E87-K130 PolarHBondContact OE2-NZ 3.16Å; I126-K130 HydrophobicContact CG2-CB 4.48Å; I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CA 3.36Å; I126-K130 VanDerWaalsContact O-CB 3.3Å; I126-K130 WeakPolarHBondContact O-CB 3.46Å; I126-K130 PolarHBondContact O-N 2.69Å; K130-N132 PolarHBondContact O-ND2 3.46Å |
| 131 | F | 94.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 32 Ų | 32 | 10% | 0.101 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -87 | -13.6 | -178.2 | -65.5 | -74.3 | 0 | 0 | 0 | 113.2 | E87 W90 K91 F94 P102 I126 M127 V133 | E87-F131 HydrophobicContact CG-CE2 4.23Å; E87-F131 HydrophobicContact CG-CZ 4.04Å; W90-F131 HydrophobicContact CB-CE2 4.18Å; W90-F131 HydrophobicContact CB-CZ 3.84Å; W90-F131 HydrophobicContact CE3-CE2 4.06Å; K91-F131 HydrophobicContact CB-CE1 4.03Å; K91-F131 HydrophobicContact CB-CZ 4.27Å; F94-F131 HydrophobicContact CD2-CD1 4.21Å; F94-F131 HydrophobicContact CD2-CE1 4.26Å; F94-F131 HydrophobicContact CE2-CD1 4.34Å; P102-F131 HydrophobicContact CB-CB 3.91Å; P102-F131 HydrophobicContact CB-CD1 4.32Å; P102-F131 WeakPolarHBondContact CB-O 3.2Å; P102-F131 HydrophobicContact CG-CB 4.44Å; P102-F131 HydrophobicContact CG-CD1 3.95Å; I126-F131 HydrophobicContact CG2-CD2 3.86Å; I126-F131 HydrophobicContact CG2-CE2 3.61Å; I126-F131 WeakPolarHBondContact O-CD2 3.28Å; I126-F131 PolarHBondContact O-N 2.83Å; M127-F131 CarbonylContact O-C 3.5Å; M127-F131 WeakPolarHBondContact O-CB 3.32Å; M127-F131 PolarHBondContact O-N 3.47Å; M127-F131 HydrophobicContact SD-CB 4.42Å; M127-F131 HydrophobicContact SD-CD2 3.77Å; M127-F131 HydrophobicContact SD-CE2 4.42Å; M127-F131 HydrophobicContact SD-CG 4.32Å; F131-V133 HydrophobicContact CB-CG1 3.94Å; F131-V133 PolarHBondContact O-N 2.96Å |
| 132 | N | 94.9 | Very high | 94.6 | Very high | 105 Ų | 105 | 29.3 Ų | 29.3 | 56% | 0.561 | 14% | 0.139 | S | C | * | . | trans | 54.9 | 38.1 | 179.4 | -65.4 | -76.2 | 0 | 0 | 0 | 113.1 | S103 M127 F128 K130 | S103-N132 WeakPolarHBondContact CA-O 3.31Å; M127-N132 PolarHBondContact O-N 3.16Å; M127-N132 VanDerWaalsContact O-N 3.09Å; F128-N132 VanDerWaalsContact O-CA 3.26Å; F128-N132 WeakPolarHBondContact O-CA 3.2Å; F128-N132 PolarHBondContact O-N 2.85Å; K130-N132 PolarHBondContact O-ND2 3.46Å | ||
| 133 | V | 95.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | trans | -65.4 | 141.8 | -179.1 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | P102 V107 M127 F128 F131 L136 | P102-V133 HydrophobicContact CB-CG1 4.23Å; V107-V133 HydrophobicContact CB-CG1 4.47Å; V107-V133 HydrophobicContact CG2-CB 4.08Å; V107-V133 HydrophobicContact CG2-CG1 3.64Å; M127-V133 HydrophobicContact CB-CG1 4.48Å; M127-V133 HydrophobicContact CB-CG2 3.94Å; M127-V133 WeakPolarHBondContact O-CG2 3.32Å; M127-V133 PolarHBondContact O-N 2.94Å; M127-V133 VanDerWaalsContact O-N 3.17Å; M127-V133 HydrophobicContact SD-CG1 4.43Å; F128-V133 HydrophobicContact CD1-CG2 3.78Å; F128-V133 WeakPolarHBondContact CD1-O 3.13Å; F128-V133 HydrophobicContact CE1-CG2 3.81Å; F128-V133 WeakPolarHBondContact CE1-O 3.39Å; F128-V133 HydrophobicContact CG-CG2 4.38Å; F128-V133 HydrophobicContact CZ-CG2 4.43Å; F131-V133 HydrophobicContact CB-CG1 3.94Å; F131-V133 PolarHBondContact O-N 2.96Å; V133-L136 HydrophobicContact CG2-CB 4.42Å | ||
| 134 | P | 94.3 | Very high | 94.4 | Very high | 12 Ų | 12 | 26 Ų | 26 | 8% | 0.078 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -70 | -37.8 | 179.6 | 26.9 | -34.3 | 0 | 0 | 0 | 112.2 | F2 V6 Q105 A360 | F2-P134 HydrophobicContact CE2-CB 4.12Å; F2-P134 VanDerWaalsContact CE2-O 3.31Å; F2-P134 WeakPolarHBondContact CE2-O 3.36Å; V6-P134 HydrophobicContact CB-CB 4.44Å; V6-P134 HydrophobicContact CG1-CB 3.53Å; V6-P134 HydrophobicContact CG1-CG 3.44Å; V6-P134 VanDerWaalsContact CG1-CG 3.44Å; Q105-P134 VanDerWaalsContact C-CG 3.49Å; Q105-P134 WeakPolarHBondContact O-CD 2.99Å; Q105-P134 WeakPolarHBondContact O-CG 3.45Å; P134-A360 PolarHBondContact O-N 2.68Å |
| 135 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L7 P106 V107 W357 V358 | L7-A135 HydrophobicContact CD2-CB 3.64Å; P106-A135 HydrophobicContact CB-CB 4.1Å; V107-A135 PolarHBondContact N-O 3.48Å; A135-W357 HydrophobicContact CB-CB 4.09Å; A135-W357 HydrophobicContact CB-CD2 4.25Å; A135-W357 HydrophobicContact CB-CE3 4.06Å; A135-W357 HydrophobicContact CB-CG 4.29Å; A135-V358 CarbonylContact C-O 3.46Å; A135-V358 WeakPolarHBondContact CA-O 3.27Å; A135-V358 WeakPolarHBondContact CB-O 3.35Å |
| 136 | L | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.9 | -178.2 | 179.6 | 67.4 | 0 | 0 | 0 | 110.1 | V107 M109 T124 M127 F128 V133 L138 V358 | V107-L136 HydrophobicContact CB-CD1 4.3Å; V107-L136 HydrophobicContact CG1-CD1 4.26Å; V107-L136 CarbonylContact O-C 3.48Å; V107-L136 VanDerWaalsContact O-CA 3.29Å; V107-L136 WeakPolarHBondContact O-CA 3.34Å; V107-L136 WeakPolarHBondContact O-CD1 3.45Å; M109-L136 HydrophobicContact CG-CD1 3.95Å; M109-L136 HydrophobicContact SD-CD1 3.74Å; T124-L136 HydrophobicContact CG2-CD2 4.08Å; M127-L136 HydrophobicContact CB-CD1 4.39Å; M127-L136 HydrophobicContact CB-CD2 4.11Å; M127-L136 HydrophobicContact CG-CD1 4.2Å; M127-L136 HydrophobicContact CG-CD2 4.44Å; F128-L136 HydrophobicContact CE2-CB 3.86Å; F128-L136 HydrophobicContact CE2-CD2 4.15Å; F128-L136 HydrophobicContact CZ-CB 3.67Å; V133-L136 HydrophobicContact CG2-CB 4.42Å; L136-L138 HydrophobicContact CD1-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CD2 4.44Å; L136-L138 HydrophobicContact CG-CD2 4.42Å; L136-V358 PolarHBondContact N-O 2.93Å; L136-V358 VanDerWaalsContact O-CB 3.32Å; L136-V358 WeakPolarHBondContact O-CB 3.39Å; L136-V358 PolarHBondContact O-N 3.09Å |
| 137 | Y | 95.3 | Very high | 94 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.8 | 164.4 | -173.7 | -94 | 0 | 0 | 0 | 110 | V107 F108 M109 C139 F353 M356 C375 | V107-Y137 PolarHBondContact O-N 2.63Å; F108-Y137 AromaticContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CD1 3.73Å; F108-Y137 HydrophobicContact CD2-CG 4.38Å; F108-Y137 AromaticContact CE2-CD1 3.5Å; F108-Y137 HydrophobicContact CE2-CD1 3.5Å; F108-Y137 VanDerWaalsContact CE2-CD1 3.5Å; F108-Y137 AromaticContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CE1 3.97Å; F108-Y137 HydrophobicContact CE2-CG 4.5Å; F108-Y137 HydrophobicContact CZ-CD1 4.35Å; M109-Y137 PolarHBondContact N-O 3.47Å; Y137-C139 HydrophobicContact CD1-CB 4.03Å; Y137-C139 HydrophobicContact CE1-CB 3.75Å; Y137-F353 HydrophobicContact CD1-CE2 4.15Å; Y137-F353 AromaticContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD2-CE2 4.46Å; Y137-F353 AromaticContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CE1-CE2 4Å; Y137-F353 AromaticContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE2-CE2 4.35Å; Y137-F353 HydrophobicContact CE2-CZ 4.29Å; Y137-F353 HydrophobicContact CG-CE1 4.36Å; Y137-F353 HydrophobicContact CG-CE2 4.35Å; Y137-F353 AromaticContact CG-CZ 3.56Å; Y137-F353 HydrophobicContact CG-CZ 3.56Å; Y137-M356 HydrophobicContact CD2-CB 4.18Å; Y137-M356 WeakPolarHBondContact CD2-O 3.31Å; Y137-M356 HydrophobicContact CE2-CB 3.92Å; Y137-M356 HydrophobicContact CE2-CE 4.2Å; Y137-C375 VanDerWaalsContact CD2-SG 3.56Å; Y137-C375 HydrophobicContact CE2-CB 4.47Å |
| 138 | L | 95.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 172.6 | -59.2 | -172.6 | 0 | 0 | 0 | 109.4 | M109 R120 T123 L136 V371 C375 | M109-L138 HydrophobicContact CB-CD2 3.78Å; M109-L138 HydrophobicContact CG-CD2 4.39Å; M109-L138 CarbonylContact O-C 3.46Å; M109-L138 WeakPolarHBondContact O-CA 3.38Å; M109-L138 HydrophobicContact SD-CD2 4.25Å; R120-L138 HydrophobicContact CB-CD1 3.99Å; R120-L138 HydrophobicContact CG-CD1 4.45Å; T123-L138 HydrophobicContact CG2-CD2 4.31Å; L136-L138 HydrophobicContact CD1-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CD2 4.44Å; L136-L138 HydrophobicContact CG-CD2 4.42Å; L138-V371 HydrophobicContact CB-CG2 4.31Å; L138-V371 HydrophobicContact CD1-CG2 3.61Å; L138-V371 HydrophobicContact CG-CG2 3.82Å; L138-C375 HydrophobicContact CB-CB 4.29Å; L138-C375 PolarHBondContact N-SG 3.12Å; L138-C375 WeakPolarHBondContact O-CB 3.47Å |
| 139 | C | 93.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.1 | -180 | -170.2 | 0 | 0 | 0 | 0 | 111.5 | F108 M109 T110 E111 Y137 H141 | F108-C139 HydrophobicContact CE1-CB 3.63Å; F108-C139 HydrophobicContact CE2-CB 3.79Å; F108-C139 HydrophobicContact CZ-CB 3.14Å; M109-C139 PolarHBondContact O-N 3.01Å; T110-C139 CarbonylContact C-O 3.12Å; T110-C139 WeakPolarHBondContact CA-O 3.48Å; E111-C139 PolarHBondContact N-O 2.73Å; Y137-C139 HydrophobicContact CD1-CB 4.03Å; Y137-C139 HydrophobicContact CE1-CB 3.75Å; C139-H141 PolarHBondContact O-N 2.94Å |
| 140 | N | 92.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.043 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.4 | 172.6 | -174.5 | -19.1 | 0 | 0 | 0 | 110.8 | E111 S113 A142 V143 G144 | E111-N140 WeakPolarHBondContact O-CA 3.04Å; S113-N140 PolarHBondContact OG-ND2 3.49Å; S113-N140 PolarHBondContact OG-OD1 2.97Å; N140-A142 PolarHBondContact O-N 2.67Å; N140-A142 VanDerWaalsContact O-N 3.12Å; N140-A142 PolarHBondContact OD1-N 2.9Å; N140-V143 HydrophobicContact CB-CB 4.34Å; N140-V143 HydrophobicContact CB-CG2 3.99Å; N140-V143 PolarHBondContact O-N 2.73Å; N140-G144 PolarHBondContact O-N 3.31Å; N140-G144 VanDerWaalsContact O-N 3.09Å |
| 141 | H | 91.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -46 | -45.8 | 179.1 | -67.7 | 148.2 | 0 | 0 | 0 | 113 | D15 T110 E111 C139 G144 A145 | D15-H141 IonicContact OD1-CD2 3.53Å; D15-H141 PolarHBondContact OD1-CD2 3.38Å; D15-H141 IonicContact OD1-NE2 3.24Å; T110-H141 WeakPolarHBondContact CB-CD2 3.36Å; T110-H141 PolarHBondContact OG1-CD2 3.46Å; T110-H141 PolarHBondContact OG1-NE2 3.41Å; E111-H141 PolarHBondContact O-N 2.78Å; C139-H141 PolarHBondContact O-N 2.94Å; H141-G144 PolarHBondContact O-N 2.91Å; H141-A145 WeakPolarHBondContact O-CB 3.28Å; H141-A145 PolarHBondContact O-N 2.98Å |
| 142 | A | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -39.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N140 A145 L146 V156 V167 I169 | N140-A142 PolarHBondContact O-N 2.67Å; N140-A142 VanDerWaalsContact O-N 3.12Å; N140-A142 PolarHBondContact OD1-N 2.9Å; A142-A145 PolarHBondContact O-N 2.97Å; A142-L146 PolarHBondContact O-N 3.09Å; A142-V156 HydrophobicContact CB-CB 3.95Å; A142-V156 HydrophobicContact CB-CG1 4.02Å; A142-V156 HydrophobicContact CB-CG2 4.37Å; A142-V167 HydrophobicContact CB-CB 3.56Å; A142-V167 HydrophobicContact CB-CG1 3.78Å; A142-V167 HydrophobicContact CB-CG2 3.69Å; A142-I169 HydrophobicContact CB-CD1 4.16Å |
| 143 | V | 93.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 14% | 0.139 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | N140 L146 C147 I169 A174 | N140-V143 HydrophobicContact CB-CB 4.34Å; N140-V143 HydrophobicContact CB-CG2 3.99Å; N140-V143 PolarHBondContact O-N 2.73Å; V143-L146 PolarHBondContact O-N 3.15Å; V143-C147 WeakPolarHBondContact O-CB 3.33Å; V143-C147 PolarHBondContact O-N 3.17Å; V143-I169 HydrophobicContact CB-CD1 4.44Å; V143-I169 HydrophobicContact CG2-CD1 3.91Å; V143-I169 HydrophobicContact CG2-CG1 4.43Å; V143-A174 HydrophobicContact CG2-CB 4.22Å |
| 144 | G | 92.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -49.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | N140 H141 L146 C147 A148 G343 | N140-G144 PolarHBondContact O-N 3.31Å; N140-G144 VanDerWaalsContact O-N 3.09Å; H141-G144 PolarHBondContact O-N 2.91Å; G144-L146 VanDerWaalsContact C-N 3.35Å; G144-L146 PolarHBondContact O-N 2.94Å; G144-C147 WeakPolarHBondContact O-CB 3.47Å; G144-C147 PolarHBondContact O-N 3.43Å; G144-C147 VanDerWaalsContact O-N 3.17Å; G144-A148 PolarHBondContact O-N 2.64Å; G144-G343 VanDerWaalsContact O-CA 3.28Å; G144-G343 WeakPolarHBondContact O-CA 3.33Å |
| 145 | A | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -40.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H141 A142 A148 S149 V156 S301 | H141-A145 WeakPolarHBondContact O-CB 3.28Å; H141-A145 PolarHBondContact O-N 2.98Å; A142-A145 PolarHBondContact O-N 2.97Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.36Å; A145-S149 PolarHBondContact O-N 3.21Å; A145-V156 HydrophobicContact CB-CG1 4.17Å; A145-S301 WeakPolarHBondContact CB-OG 3.44Å |
| 146 | L | 93.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 176 | -167.9 | 71.4 | 0 | 0 | 0 | 111.6 | A142 V143 G144 A148 S149 A150 C151 V156 I169 V299 | A142-L146 PolarHBondContact O-N 3.09Å; V143-L146 PolarHBondContact O-N 3.15Å; G144-L146 VanDerWaalsContact C-N 3.35Å; G144-L146 PolarHBondContact O-N 2.94Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.89Å; L146-S149 PolarHBondContact O-N 3.28Å; L146-A150 PolarHBondContact O-N 3.19Å; L146-C151 HydrophobicContact CD1-CB 3.67Å; L146-C151 HydrophobicContact CG-CB 3.92Å; L146-C151 WeakPolarHBondContact CG-O 3.48Å; L146-C151 PolarHBondContact O-N 3.24Å; L146-V156 HydrophobicContact CB-CG2 3.86Å; L146-V156 HydrophobicContact CD1-CG2 3.99Å; L146-V156 HydrophobicContact CG-CG2 4.45Å; L146-I169 HydrophobicContact CB-CD1 4.03Å; L146-I169 HydrophobicContact CD2-CB 3.74Å; L146-I169 HydrophobicContact CD2-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CG1 4.4Å; L146-I169 HydrophobicContact CD2-CG2 3.59Å; L146-V299 HydrophobicContact CD1-CB 4.45Å; L146-V299 HydrophobicContact CD1-CG2 3.82Å |
| 147 | C | 91.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 21.1 Ų | 21.1 | 24% | 0.236 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -37.2 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | V143 G144 S149 A150 M347 | V143-C147 WeakPolarHBondContact O-CB 3.33Å; V143-C147 PolarHBondContact O-N 3.17Å; G144-C147 WeakPolarHBondContact O-CB 3.47Å; G144-C147 PolarHBondContact O-N 3.43Å; G144-C147 VanDerWaalsContact O-N 3.17Å; C147-S149 PolarHBondContact O-N 3.25Å; C147-A150 PolarHBondContact O-N 3.5Å; C147-M347 HydrophobicContact CB-CG 4.22Å; C147-M347 HydrophobicContact CB-SD 4.3Å; C147-M347 VanDerWaalsContact SG-CG 3.52Å |
| 148 | A | 91.8 | Very high | 92.9 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 27% | 0.273 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63 | -28.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G144 A145 L146 A150 S339 I342 | G144-A148 PolarHBondContact O-N 2.64Å; A145-A148 WeakPolarHBondContact O-CB 3.41Å; A145-A148 PolarHBondContact O-N 3.36Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.89Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 3.47Å; A148-S339 VanDerWaalsContact CB-O 3.23Å; A148-S339 WeakPolarHBondContact CB-O 3.37Å; A148-I342 HydrophobicContact CB-CB 4.18Å; A148-I342 HydrophobicContact CB-CG2 4.07Å |
| 149 | S | 89.2 | Confident | 92.9 | Very high | 32 Ų | 32 | 21.1 Ų | 21.1 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.3 | 173.7 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | A145 L146 C147 C151 V299 | A145-S149 PolarHBondContact O-N 3.21Å; L146-S149 PolarHBondContact O-N 3.28Å; C147-S149 PolarHBondContact O-N 3.25Å; S149-C151 PolarHBondContact O-N 3.22Å; S149-V299 WeakPolarHBondContact OG-CG1 3.18Å |
| 150 | A | 88 | Confident | 92.9 | Very high | 95 Ų | 95 | 22 Ų | 22 | 79% | 0.785 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 26.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L146 C147 A148 | L146-A150 PolarHBondContact O-N 3.19Å; C147-A150 PolarHBondContact O-N 3.5Å; A148-A150 VanDerWaalsContact C-N 3.25Å; A148-A150 PolarHBondContact O-N 3.47Å |
| 151 | C | 88.1 | Confident | 92.9 | Very high | 32 Ų | 32 | 23.2 Ų | 23.2 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | trans | -102.8 | 151.4 | 174.2 | -67 | 0 | 0 | 0 | 0 | 109.9 | L146 S149 | L146-C151 HydrophobicContact CD1-CB 3.67Å; L146-C151 HydrophobicContact CG-CB 3.92Å; L146-C151 WeakPolarHBondContact CG-O 3.48Å; L146-C151 PolarHBondContact O-N 3.24Å; S149-C151 PolarHBondContact O-N 3.22Å | ||
| 152 | I | 89.2 | Confident | 92.9 | Very high | 119 Ų | 119 | 22.4 Ų | 22.4 | 61% | 0.61 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -112.7 | -22.1 | 175.1 | 58.9 | 169.2 | 0 | 0 | 0 | 112.8 | E171 G172 | I152-E171 PolarHBondContact O-N 3.02Å; I152-G172 PolarHBondContact O-N 3.34Å |
| 153 | T | 94.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -130.5 | 139.6 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 107.7 | I169 Y170 E171 T293 | T153-I169 CarbonylContact C-O 3.55Å; T153-I169 WeakPolarHBondContact CA-O 3.49Å; T153-Y170 HydrophobicContact CG2-CD2 3.55Å; T153-Y170 HydrophobicContact CG2-CE2 4.15Å; T153-Y170 HydrophobicContact CG2-CG 4.42Å; T153-E171 PolarHBondContact OG1-N 2.94Å; T153-T293 HydrophobicContact CG2-CG2 3.65Å |
| 154 | G | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | 171.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I169 L294 D297 | G154-I169 PolarHBondContact N-O 3.21Å; G154-I169 PolarHBondContact O-N 3.15Å; G154-L294 VanDerWaalsContact C-CD2 3.45Å; G154-L294 WeakPolarHBondContact O-CD2 3.17Å; G154-D297 CarbonylContact C-O 3.52Å; G154-D297 WeakPolarHBondContact CA-O 3.22Å |
| 155 | L | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.4 | 170.6 | -177.5 | 79 | 0 | 0 | 0 | 109.5 | V157 P168 A279 I283 D297 I298 V299 | L155-V157 HydrophobicContact CD2-CG2 4.09Å; L155-P168 HydrophobicContact CD1-CB 3.9Å; L155-P168 HydrophobicContact CD1-CG 4.39Å; L155-A279 HydrophobicContact CD2-CB 3.67Å; L155-I283 HydrophobicContact CD1-CG1 4.27Å; L155-I283 HydrophobicContact CD2-CD1 3.87Å; L155-I283 HydrophobicContact CD2-CG1 4.01Å; L155-I283 HydrophobicContact CG-CG1 4.5Å; L155-D297 PolarHBondContact N-O 3.41Å; L155-I298 HydrophobicContact CB-CG1 4.29Å; L155-I298 HydrophobicContact CD2-CG2 4.48Å; L155-I298 CarbonylContact O-C 3.46Å; L155-I298 VanDerWaalsContact O-CA 3.29Å; L155-I298 WeakPolarHBondContact O-CA 3.41Å; L155-V299 PolarHBondContact O-N 2.81Å |
| 156 | V | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.2 | 170.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | A142 A145 L146 D158 T166 V167 I169 V299 | A142-V156 HydrophobicContact CB-CB 3.95Å; A142-V156 HydrophobicContact CB-CG1 4.02Å; A142-V156 HydrophobicContact CB-CG2 4.37Å; A145-V156 HydrophobicContact CB-CG1 4.17Å; L146-V156 HydrophobicContact CB-CG2 3.86Å; L146-V156 HydrophobicContact CD1-CG2 3.99Å; L146-V156 HydrophobicContact CG-CG2 4.45Å; V156-D158 HydrophobicContact CG1-CB 4.33Å; V156-T166 CarbonylContact O-C 3.54Å; V156-T166 VanDerWaalsContact O-CA 3.28Å; V156-T166 WeakPolarHBondContact O-CA 3.43Å; V156-V167 PolarHBondContact N-O 3.05Å; V156-V167 PolarHBondContact O-N 2.81Å; V156-I169 HydrophobicContact CG2-CD1 3.9Å; V156-V299 WeakPolarHBondContact CA-O 3.4Å; V156-V299 HydrophobicContact CG2-CB 4.41Å |
| 157 | V | 96.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 99.4 | 168.7 | -177.5 | 0 | 0 | 0 | 0 | 107.1 | L155 T166 A279 I298 V299 L300 S301 | L155-V157 HydrophobicContact CD2-CG2 4.09Å; V157-T166 HydrophobicContact CB-CG2 4.27Å; V157-T166 HydrophobicContact CG1-CG2 4.06Å; V157-T166 HydrophobicContact CG2-CG2 3.84Å; V157-A279 HydrophobicContact CG2-CB 4.32Å; V157-I298 HydrophobicContact CG2-CG2 3.98Å; V157-V299 PolarHBondContact N-O 3.02Å; V157-L300 HydrophobicContact CB-CD2 3.8Å; V157-L300 HydrophobicContact CG1-CD2 4.24Å; V157-L300 HydrophobicContact CG2-CD2 4.38Å; V157-S301 PolarHBondContact O-N 2.9Å |
| 158 | D | 95.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.9 | 179.5 | 177.4 | 30.7 | 0 | 0 | 0 | 109.9 | V156 T164 C165 S301 | V156-D158 HydrophobicContact CG1-CB 4.33Å; D158-T164 CarbonylContact O-C 3.52Å; D158-T164 VanDerWaalsContact O-CA 3.25Å; D158-T164 WeakPolarHBondContact O-CA 3.44Å; D158-T164 WeakPolarHBondContact O-CG2 3.5Å; D158-C165 PolarHBondContact N-O 3.07Å; D158-C165 PolarHBondContact O-N 2.8Å; D158-S301 WeakPolarHBondContact CA-O 3.45Å |
| 159 | S | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 103.2 | 174.7 | -165.8 | 0 | 0 | 0 | 0 | 110.5 | T164 S301 G302 G303 T304 | S159-T164 PolarHBondContact OG-OG1 3.42Å; S159-S301 PolarHBondContact N-O 3.25Å; S159-G302 CarbonylContact O-C 3.56Å; S159-G302 VanDerWaalsContact O-CA 3.31Å; S159-G302 WeakPolarHBondContact O-CA 3.41Å; S159-G303 PolarHBondContact O-N 3.44Å; S159-T304 VanDerWaalsContact O-CB 3.31Å; S159-T304 WeakPolarHBondContact O-CB 3.33Å; S159-T304 PolarHBondContact O-N 2.92Å; S159-T304 VanDerWaalsContact OG-CB 3.3Å; S159-T304 WeakPolarHBondContact OG-CB 3.28Å; S159-T304 WeakPolarHBondContact OG-CG2 3.5Å |
| 160 | G | 93.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | trans | -96.6 | -154.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V163 A185 G186 T304 | G160-V163 PolarHBondContact N-O 3.23Å; G160-A185 WeakPolarHBondContact O-CB 3.32Å; G160-G186 PolarHBondContact O-N 2.82Å; G160-T304 PolarHBondContact O-OG1 2.73Å | ||
| 161 | D | 92.2 | Very high | 94.2 | Very high | 33 Ų | 33 | 23 Ų | 23 | 18% | 0.176 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -77.5 | -38.8 | 176.6 | -179.2 | 60.6 | 0 | 0 | 0 | 112.9 | G19 G186 R187 | G19-D161 WeakPolarHBondContact CA-OD2 3.31Å; D161-G186 PolarHBondContact O-N 3.47Å; D161-R187 WeakPolarHBondContact O-CB 3.37Å; D161-R187 PolarHBondContact O-N 3.29Å; D161-R187 PolarHBondContact OD1-N 2.92Å; D161-R187 IonicContact OD2-CZ 3.45Å; D161-R187 IonicContact OD2-NE 2.79Å; D161-R187 PolarHBondContact OD2-NE 3.2Å; D161-R187 IonicContact OD2-NH2 2.59Å; D161-R187 PolarHBondContact OD2-NH2 3.48Å |
| 162 | G | 91.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -111 | -17.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | R77 | R77-G162 PolarHBondContact NH1-O 3.16Š|
| 163 | V | 93.7 | Very high | 94.2 | Very high | 18 Ų | 18 | 25 Ų | 25 | 11% | 0.109 | 13% | 0.13 | C | C | . | . | trans | -149.2 | 145.9 | -175.3 | 66.2 | 0 | 0 | 0 | 0 | 110.1 | G160 Y183 | G160-V163 PolarHBondContact N-O 3.23Å; V163-Y183 HydrophobicContact CG2-CD1 4.4Å; V163-Y183 HydrophobicContact CG2-CE1 4.5Å | ||
| 164 | T | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.4 | 164.3 | -56.7 | 0 | 0 | 0 | 0 | 108.2 | D158 S159 L182 V184 I275 M278 | D158-T164 CarbonylContact O-C 3.52Å; D158-T164 VanDerWaalsContact O-CA 3.25Å; D158-T164 WeakPolarHBondContact O-CA 3.44Å; D158-T164 WeakPolarHBondContact O-CG2 3.5Å; S159-T164 PolarHBondContact OG-OG1 3.42Å; T164-L182 PolarHBondContact N-O 2.87Å; T164-L182 PolarHBondContact O-N 3.36Å; T164-V184 WeakPolarHBondContact CB-O 3.49Å; T164-V184 PolarHBondContact OG1-O 2.98Å; T164-I275 HydrophobicContact CG2-CG2 3.75Å; T164-M278 HydrophobicContact CG2-CE 3.73Å |
| 165 | C | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.8 | 177.1 | 60 | 0 | 0 | 0 | 0 | 111.5 | D158 V167 T180 K181 | D158-C165 PolarHBondContact N-O 3.07Å; D158-C165 PolarHBondContact O-N 2.8Å; C165-V167 HydrophobicContact CB-CG2 4.38Å; C165-T180 VanDerWaalsContact CA-O 3.28Å; C165-T180 WeakPolarHBondContact CA-O 3.21Å; C165-T180 WeakPolarHBondContact CB-O 3.42Å; C165-K181 HydrophobicContact CB-CG 4.18Å |
| 166 | T | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.1 | 164.3 | 66.4 | 0 | 0 | 0 | 0 | 109.5 | V156 V157 T180 M278 A279 S282 | V156-T166 CarbonylContact O-C 3.54Å; V156-T166 VanDerWaalsContact O-CA 3.28Å; V156-T166 WeakPolarHBondContact O-CA 3.43Å; V157-T166 HydrophobicContact CB-CG2 4.27Å; V157-T166 HydrophobicContact CG1-CG2 4.06Å; V157-T166 HydrophobicContact CG2-CG2 3.84Å; T166-T180 PolarHBondContact N-O 2.78Å; T166-T180 PolarHBondContact O-N 3.11Å; T166-T180 VanDerWaalsContact O-N 3.17Å; T166-T180 PolarHBondContact OG1-OG1 3.03Å; T166-M278 HydrophobicContact CG2-CE 3.68Å; T166-M278 HydrophobicContact CG2-CG 3.99Å; T166-M278 HydrophobicContact CG2-SD 4.48Å; T166-M278 PolarHBondContact OG1-O 3.31Å; T166-A279 HydrophobicContact CG2-CB 4.13Å; T166-S282 VanDerWaalsContact OG1-CB 3.23Å; T166-S282 WeakPolarHBondContact OG1-CB 2.98Å |
| 167 | V | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 109 | -171.4 | -175.8 | 0 | 0 | 0 | 0 | 108 | S113 A142 V156 C165 I169 A174 I179 | S113-V167 VanDerWaalsContact OG-CG2 3.27Å; S113-V167 WeakPolarHBondContact OG-CG2 3.44Å; A142-V167 HydrophobicContact CB-CB 3.56Å; A142-V167 HydrophobicContact CB-CG1 3.78Å; A142-V167 HydrophobicContact CB-CG2 3.69Å; V156-V167 PolarHBondContact N-O 3.05Å; V156-V167 PolarHBondContact O-N 2.81Å; C165-V167 HydrophobicContact CB-CG2 4.38Å; V167-I169 HydrophobicContact CG1-CG1 4.09Å; V167-A174 HydrophobicContact CG1-CB 3.97Å; V167-I179 HydrophobicContact CG1-CD1 4.05Å; V167-I179 HydrophobicContact CG1-CG1 4.13Å; V167-I179 HydrophobicContact CG2-CG2 4.24Å |
| 168 | P | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.1 | 173.6 | 25 | -19 | 0 | 0 | 0 | 108.8 | L155 L175 A178 S282 L294 | L155-P168 HydrophobicContact CD1-CB 3.9Å; L155-P168 HydrophobicContact CD1-CG 4.39Å; P168-L175 HydrophobicContact CB-CD1 4.43Å; P168-L175 HydrophobicContact CG-CB 4.18Å; P168-L175 PolarHBondContact O-N 2.94Å; P168-A178 HydrophobicContact CG-CB 3.47Å; P168-A178 VanDerWaalsContact CG-CB 3.47Å; P168-S282 VanDerWaalsContact CD-OG 3.31Å; P168-S282 WeakPolarHBondContact CD-OG 3.46Å; P168-S282 WeakPolarHBondContact CG-OG 2.99Å; P168-L294 HydrophobicContact CB-CD1 3.93Å; P168-L294 HydrophobicContact CB-CD2 4.21Å |
| 169 | I | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.8 | -178.3 | -60.3 | 168.4 | 0 | 0 | 0 | 107.7 | A142 V143 L146 T153 G154 V156 V167 Y173 A174 | A142-I169 HydrophobicContact CB-CD1 4.16Å; V143-I169 HydrophobicContact CB-CD1 4.44Å; V143-I169 HydrophobicContact CG2-CD1 3.91Å; V143-I169 HydrophobicContact CG2-CG1 4.43Å; L146-I169 HydrophobicContact CB-CD1 4.03Å; L146-I169 HydrophobicContact CD2-CB 3.74Å; L146-I169 HydrophobicContact CD2-CD1 3.85Å; L146-I169 HydrophobicContact CD2-CG1 4.4Å; L146-I169 HydrophobicContact CD2-CG2 3.59Å; T153-I169 CarbonylContact C-O 3.55Å; T153-I169 WeakPolarHBondContact CA-O 3.49Å; G154-I169 PolarHBondContact N-O 3.21Å; G154-I169 PolarHBondContact O-N 3.15Å; V156-I169 HydrophobicContact CG2-CD1 3.9Å; V167-I169 HydrophobicContact CG1-CG1 4.09Å; I169-Y173 VanDerWaalsContact CA-O 3.31Å; I169-Y173 WeakPolarHBondContact CA-O 3.38Å; I169-A174 HydrophobicContact CG1-CB 4.4Å |
| 170 | Y | 94.5 | Very high | 93.6 | Very high | 86 Ų | 86 | 36.7 Ų | 36.7 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.4 | 177.2 | -173.1 | -99.1 | 0 | 0 | 0 | 109.5 | T153 G172 Y173 I290 | T153-Y170 HydrophobicContact CG2-CD2 3.55Å; T153-Y170 HydrophobicContact CG2-CE2 4.15Å; T153-Y170 HydrophobicContact CG2-CG 4.42Å; Y170-G172 PolarHBondContact O-N 2.67Å; Y170-G172 VanDerWaalsContact O-N 3.15Å; Y170-Y173 PolarHBondContact N-O 3.42Å; Y170-Y173 PolarHBondContact O-N 3.1Å; Y170-I290 HydrophobicContact CD2-CB 4.07Å; Y170-I290 HydrophobicContact CD2-CG2 3.65Å; Y170-I290 HydrophobicContact CE1-CG2 4.49Å; Y170-I290 HydrophobicContact CE2-CB 4.14Å; Y170-I290 HydrophobicContact CE2-CG2 3.37Å; Y170-I290 HydrophobicContact CG-CG2 4.34Å |
| 171 | E | 90.7 | Very high | 93.6 | Very high | 125 Ų | 125 | 38.6 Ų | 38.6 | 58% | 0.584 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 38.7 | -178.9 | -61.1 | -172.5 | 152.3 | 0 | 0 | 113.5 | I152 T153 Y173 | I152-E171 PolarHBondContact O-N 3.02Å; T153-E171 PolarHBondContact OG1-N 2.94Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 WeakPolarHBondContact O-CD2 3.31Å |
| 172 | G | 86.4 | Confident | 93.7 | Very high | 38 Ų | 38 | 37 Ų | 37 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -3.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | I152 Y170 | I152-G172 PolarHBondContact O-N 3.34Å; Y170-G172 PolarHBondContact O-N 2.67Å; Y170-G172 VanDerWaalsContact O-N 3.15Å |
| 173 | Y | 89.6 | Confident | 93.7 | Very high | 156 Ų | 156 | 41.9 Ų | 41.9 | 61% | 0.612 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.1 | 178.1 | -63.6 | -84.5 | 0 | 0 | 0 | 111.9 | I169 Y170 E171 | I169-Y173 VanDerWaalsContact CA-O 3.31Å; I169-Y173 WeakPolarHBondContact CA-O 3.38Å; Y170-Y173 PolarHBondContact N-O 3.42Å; Y170-Y173 PolarHBondContact O-N 3.1Å; E171-Y173 VanDerWaalsContact C-N 3.34Å; E171-Y173 WeakPolarHBondContact O-CD2 3.31Å |
| 174 | A | 93.3 | Very high | 93.7 | Very high | 24 Ų | 24 | 41 Ų | 41 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 123.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | V143 V167 I169 S176 | V143-A174 HydrophobicContact CG2-CB 4.22Å; V167-A174 HydrophobicContact CG1-CB 3.97Å; I169-A174 HydrophobicContact CG1-CB 4.4Å; A174-S176 PolarHBondContact O-N 2.69Å |
| 175 | L | 94.1 | Very high | 93.6 | Very high | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | trans | -81.1 | 87.2 | -178.2 | -59.9 | 177.6 | 0 | 0 | 0 | 110.9 | P168 H177 A178 I179 I290 | P168-L175 HydrophobicContact CB-CD1 4.43Å; P168-L175 HydrophobicContact CG-CB 4.18Å; P168-L175 PolarHBondContact O-N 2.94Å; L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.32Å; L175-H177 VanDerWaalsContact O-N 3.09Å; L175-A178 HydrophobicContact CB-CB 4.4Å; L175-A178 PolarHBondContact O-N 3.22Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.45Å; L175-I290 HydrophobicContact CD1-CD1 3.49Å; L175-I290 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 176 | S | 92.4 | Very high | 93.4 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 54% | 0.538 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -50.6 | -35.9 | -173.3 | 57.5 | 0 | 0 | 0 | 0 | 115.8 | A174 A178 | A174-S176 PolarHBondContact O-N 2.69Å; S176-A178 VanDerWaalsContact C-N 3.3Å; S176-A178 PolarHBondContact O-N 3.14Å |
| 177 | H | 93.5 | Very high | 93.2 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 53% | 0.528 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -70.5 | -24.3 | -179.8 | 64.1 | -88.8 | 0 | 0 | 0 | 113.6 | L175 | L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.32Å; L175-H177 VanDerWaalsContact O-N 3.09Å |
| 178 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -101.1 | -0.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P168 L175 S176 S282 K285 C286 | P168-A178 HydrophobicContact CG-CB 3.47Å; P168-A178 VanDerWaalsContact CG-CB 3.47Å; L175-A178 HydrophobicContact CB-CB 4.4Å; L175-A178 PolarHBondContact O-N 3.22Å; S176-A178 VanDerWaalsContact C-N 3.3Å; S176-A178 PolarHBondContact O-N 3.14Å; A178-S282 WeakPolarHBondContact O-CA 3.45Å; A178-S282 WeakPolarHBondContact O-CB 3.18Å; A178-S282 PolarHBondContact O-OG 3.27Å; A178-K285 HydrophobicContact CB-CB 3.81Å; A178-C286 VanDerWaalsContact CB-SG 3.52Å |
| 179 | I | 95.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | trans | -69.3 | 134.4 | 175.5 | -59.3 | -179.7 | 0 | 0 | 0 | 110.1 | L114 V167 L175 | L114-I179 HydrophobicContact CD1-CB 4.07Å; L114-I179 HydrophobicContact CD1-CG2 3.93Å; L114-I179 HydrophobicContact CD2-CD1 4.16Å; L114-I179 HydrophobicContact CG-CB 4.4Å; L114-I179 HydrophobicContact CG-CD1 4.1Å; L114-I179 HydrophobicContact CG-CG2 4.23Å; V167-I179 HydrophobicContact CG1-CD1 4.05Å; V167-I179 HydrophobicContact CG1-CG1 4.13Å; V167-I179 HydrophobicContact CG2-CG2 4.24Å; L175-I179 WeakPolarHBondContact O-CG1 3.48Å; L175-I179 PolarHBondContact O-N 3.45Å | ||
| 180 | T | 94.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 10% | 0.104 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.9 | 173.8 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | C165 T166 M278 | C165-T180 VanDerWaalsContact CA-O 3.28Å; C165-T180 WeakPolarHBondContact CA-O 3.21Å; C165-T180 WeakPolarHBondContact CB-O 3.42Å; T166-T180 PolarHBondContact N-O 2.78Å; T166-T180 PolarHBondContact O-N 3.11Å; T166-T180 VanDerWaalsContact O-N 3.17Å; T166-T180 PolarHBondContact OG1-OG1 3.03Å; T180-M278 WeakPolarHBondContact OG1-CG 3.17Å |
| 181 | K | 93.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 27% | 0.27 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 139.6 | -177 | -67.9 | -176.6 | 176.3 | -177.5 | 0 | 109.5 | S113 C165 | S113-K181 WeakPolarHBondContact O-CE 3.42Å; S113-K181 PolarHBondContact O-NZ 3.02Å; C165-K181 HydrophobicContact CB-CG 4.18Å |
| 182 | L | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.9 | 172.9 | 176.7 | 65.7 | 0 | 0 | 0 | 107.9 | T164 V184 P265 D272 I275 M278 | T164-L182 PolarHBondContact N-O 2.87Å; T164-L182 PolarHBondContact O-N 3.36Å; L182-V184 HydrophobicContact CD1-CB 4.25Å; L182-V184 HydrophobicContact CD1-CG2 3.94Å; L182-V184 HydrophobicContact CD2-CB 4.02Å; L182-V184 HydrophobicContact CG-CB 3.84Å; L182-V184 HydrophobicContact CG-CG2 4.1Å; L182-V184 PolarHBondContact O-N 3.13Å; L182-P265 HydrophobicContact CD1-CB 4.44Å; L182-D272 HydrophobicContact CD1-CB 3.58Å; L182-I275 HydrophobicContact CD2-CG2 4.4Å; L182-M278 HydrophobicContact CB-CE 4.05Å; L182-M278 HydrophobicContact CB-SD 3.78Å |
| 183 | Y | 92.3 | Very high | 92.1 | Very high | 103 Ų | 103 | 38.6 Ų | 38.6 | 40% | 0.404 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -85.3 | 44 | 175.7 | -62.9 | -68.6 | 0 | 0 | 0 | 111.5 | R77 V163 | R77-Y183 HydrophobicContact CB-CD1 4.02Å; R77-Y183 HydrophobicContact CB-CE1 4.25Å; R77-Y183 HydrophobicContact CG-CD1 4.39Å; R77-Y183 PolarHBondContact NH1-O 3.28Å; V163-Y183 HydrophobicContact CG2-CD1 4.4Å; V163-Y183 HydrophobicContact CG2-CE1 4.5Å |
| 184 | V | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -129.6 | 117.3 | 171.1 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | T164 L182 D188 V261 L262 P265 L268 I270 | T164-V184 WeakPolarHBondContact CB-O 3.49Å; T164-V184 PolarHBondContact OG1-O 2.98Å; L182-V184 HydrophobicContact CD1-CB 4.25Å; L182-V184 HydrophobicContact CD1-CG2 3.94Å; L182-V184 HydrophobicContact CD2-CB 4.02Å; L182-V184 HydrophobicContact CG-CB 3.84Å; L182-V184 HydrophobicContact CG-CG2 4.1Å; L182-V184 PolarHBondContact O-N 3.13Å; V184-D188 WeakPolarHBondContact CA-OD2 3.25Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; V184-V261 HydrophobicContact CG1-CG2 4.24Å; V184-L262 HydrophobicContact CG1-CD2 4.43Å; V184-P265 HydrophobicContact CG2-CB 4.3Å; V184-L268 HydrophobicContact CG1-CD1 3.73Å; V184-L268 HydrophobicContact CG2-CD1 4.36Å; V184-I270 HydrophobicContact CG2-CD1 3.49Å; V184-I270 VanDerWaalsContact CG2-CD1 3.49Å; V184-I270 HydrophobicContact CG2-CG2 4.42Å | ||
| 185 | A | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -150.8 | -159.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G160 R187 D188 I189 | G160-A185 WeakPolarHBondContact O-CB 3.32Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 2.92Å; A185-D188 PolarHBondContact N-OD2 3.17Å; A185-D188 PolarHBondContact O-N 2.89Å; A185-I189 VanDerWaalsContact O-CG1 3.31Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-I189 VanDerWaalsContact O-N 3.14Å |
| 186 | G | 92 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.9 | -38.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G160 D161 I189 T190 T304 | G160-G186 PolarHBondContact O-N 2.82Å; D161-G186 PolarHBondContact O-N 3.47Å; G186-I189 WeakPolarHBondContact O-CB 3.43Å; G186-I189 PolarHBondContact O-N 3.14Å; G186-T190 PolarHBondContact O-N 3.07Å; G186-T190 PolarHBondContact O-OG1 3.45Å; G186-T304 WeakPolarHBondContact CA-OG1 3.44Å; G186-T304 PolarHBondContact N-OG1 3.41Å |
| 187 | R | 91.1 | Very high | 90.7 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.3 | -45.1 | 179.4 | -174.3 | 177.5 | -60.3 | -172.4 | 0.9 | 112.4 | S18 D161 A185 I189 T190 E191 | S18-R187 PolarHBondContact O-NH2 2.86Å; D161-R187 WeakPolarHBondContact O-CB 3.37Å; D161-R187 PolarHBondContact O-N 3.29Å; D161-R187 PolarHBondContact OD1-N 2.92Å; D161-R187 IonicContact OD2-CZ 3.45Å; D161-R187 IonicContact OD2-NE 2.79Å; D161-R187 PolarHBondContact OD2-NE 3.2Å; D161-R187 IonicContact OD2-NH2 2.59Å; D161-R187 PolarHBondContact OD2-NH2 3.48Å; A185-R187 VanDerWaalsContact C-N 3.28Å; A185-R187 PolarHBondContact O-N 2.92Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.25Å; R187-T190 PolarHBondContact O-N 3.45Å; R187-E191 PolarHBondContact O-N 3.23Å |
| 188 | D | 91.8 | Very high | 90.2 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | -179.5 | -52.2 | -78.4 | 0 | 0 | 0 | 110.5 | R77 V184 A185 E191 H192 L268 | R77-D188 IonicContact CZ-OD1 3.39Å; R77-D188 IonicContact NH1-OD1 2.85Å; R77-D188 PolarHBondContact NH1-OD1 3.39Å; R77-D188 IonicContact NH1-OD2 3.16Å; R77-D188 PolarHBondContact NH1-OD2 3.04Å; R77-D188 IonicContact NH2-OD1 2.74Å; R77-D188 PolarHBondContact NH2-OD1 3.31Å; V184-D188 WeakPolarHBondContact CA-OD2 3.25Å; V184-D188 HydrophobicContact CG1-CB 4.28Å; A185-D188 PolarHBondContact N-OD2 3.17Å; A185-D188 PolarHBondContact O-N 2.89Å; D188-E191 PolarHBondContact O-N 2.99Å; D188-H192 WeakPolarHBondContact O-CB 3.46Å; D188-H192 PolarHBondContact O-N 3.26Å; D188-L268 HydrophobicContact CB-CD1 4.4Å |
| 189 | I | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 172.6 | -65.5 | 171.3 | 0 | 0 | 0 | 110.5 | A185 G186 R187 E191 H192 L193 K217 V258 V261 L262 T304 F307 | A185-I189 VanDerWaalsContact O-CG1 3.31Å; A185-I189 WeakPolarHBondContact O-CG1 3.45Å; A185-I189 PolarHBondContact O-N 3.36Å; A185-I189 VanDerWaalsContact O-N 3.14Å; G186-I189 WeakPolarHBondContact O-CB 3.43Å; G186-I189 PolarHBondContact O-N 3.14Å; R187-I189 VanDerWaalsContact C-N 3.29Å; R187-I189 PolarHBondContact O-N 3.25Å; I189-E191 VanDerWaalsContact C-N 3.34Å; I189-E191 PolarHBondContact O-N 2.82Å; I189-H192 PolarHBondContact O-N 3.41Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 2.83Å; I189-K217 HydrophobicContact CB-CD 4.48Å; I189-K217 HydrophobicContact CG2-CD 3.82Å; I189-K217 HydrophobicContact CG2-CG 4.1Å; I189-V258 HydrophobicContact CG2-CG1 3.76Å; I189-V261 HydrophobicContact CD1-CG2 4.48Å; I189-V261 HydrophobicContact CG1-CG2 3.69Å; I189-L262 HydrophobicContact CD1-CD1 3.92Å; I189-L262 HydrophobicContact CD1-CD2 4.04Å; I189-L262 HydrophobicContact CD1-CG 3.89Å; I189-T304 HydrophobicContact CD1-CG2 3.69Å; I189-F307 HydrophobicContact CD1-CE2 3.86Å; I189-F307 HydrophobicContact CD1-CZ 4.46Å; I189-F307 HydrophobicContact CG2-CZ 4.2Å |
| 190 | T | 90.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | G186 R187 L193 T194 K210 V213 D214 K217 | G186-T190 PolarHBondContact O-N 3.07Å; G186-T190 PolarHBondContact O-OG1 3.45Å; R187-T190 PolarHBondContact O-N 3.45Å; T190-L193 PolarHBondContact O-N 3.05Å; T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 2.87Å; T190-K210 HydrophobicContact CG2-CG 4.15Å; T190-V213 HydrophobicContact CG2-CB 4.18Å; T190-V213 HydrophobicContact CG2-CG1 3.8Å; T190-D214 WeakPolarHBondContact CB-OD1 3.46Å; T190-D214 WeakPolarHBondContact CG2-OD1 3.4Å; T190-D214 PolarHBondContact OG1-OD1 2.85Å; T190-K217 WeakPolarHBondContact OG1-CD 3.23Å; T190-K217 PolarHBondContact OG1-NZ 3.45Å |
| 191 | E | 88.9 | Confident | 87.8 | Confident | 111 Ų | 111 | 43.2 Ų | 43.2 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.4 | -176.3 | 175.4 | 175.5 | 0 | 0 | 111.9 | R187 D188 I189 T194 R195 | R187-E191 PolarHBondContact O-N 3.23Å; D188-E191 PolarHBondContact O-N 2.99Å; I189-E191 VanDerWaalsContact C-N 3.34Å; I189-E191 PolarHBondContact O-N 2.82Å; E191-T194 PolarHBondContact O-N 2.8Å; E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.92Å |
| 192 | H | 87.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 174.4 | -170.6 | 68.7 | 0 | 0 | 0 | 112 | D188 I189 T194 R195 L196 V258 L268 | D188-H192 WeakPolarHBondContact O-CB 3.46Å; D188-H192 PolarHBondContact O-N 3.26Å; I189-H192 PolarHBondContact O-N 3.41Å; H192-T194 VanDerWaalsContact C-N 3.3Å; H192-T194 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 2.9Å; H192-L196 WeakPolarHBondContact O-CG 3.28Å; H192-L196 PolarHBondContact O-N 3.05Å; H192-V258 HydrophobicContact CB-CG1 4.27Å; H192-L268 HydrophobicContact CB-CD2 3.77Å; H192-L268 VanDerWaalsContact ND1-CD2 3.29Å; H192-L268 WeakPolarHBondContact ND1-CD2 3.31Å |
| 193 | L | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 176 | 179.7 | 59.3 | 0 | 0 | 0 | 111.1 | I189 T190 R195 L196 L197 V213 I216 K217 M251 L255 V258 | I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 2.83Å; T190-L193 PolarHBondContact O-N 3.05Å; L193-R195 PolarHBondContact O-N 2.87Å; L193-L196 PolarHBondContact O-N 3.4Å; L193-L197 HydrophobicContact CD1-CD1 4.2Å; L193-L197 HydrophobicContact CD1-CG 4.22Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.02Å; L193-L197 PolarHBondContact O-N 2.9Å; L193-V213 HydrophobicContact CB-CG1 4.06Å; L193-V213 HydrophobicContact CD2-CG1 3.63Å; L193-V213 HydrophobicContact CG-CG1 3.79Å; L193-I216 HydrophobicContact CD2-CG2 4.09Å; L193-K217 HydrophobicContact CD2-CB 3.93Å; L193-M251 HydrophobicContact CD1-CE 4.28Å; L193-L255 HydrophobicContact CD1-CB 4.42Å; L193-L255 HydrophobicContact CD1-CD2 4.22Å; L193-V258 HydrophobicContact CB-CG1 4.2Å; L193-V258 HydrophobicContact CB-CG2 4.43Å; L193-V258 HydrophobicContact CD1-CG2 4Å |
| 194 | T | 86.8 | Confident | 84.2 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.8 | -56 | 0 | 0 | 0 | 0 | 111.1 | T190 E191 H192 L196 L197 L198 | T190-T194 WeakPolarHBondContact O-CB 3.46Å; T190-T194 PolarHBondContact O-N 3.06Å; T190-T194 PolarHBondContact O-OG1 2.87Å; E191-T194 PolarHBondContact O-N 2.8Å; H192-T194 VanDerWaalsContact C-N 3.3Å; H192-T194 PolarHBondContact O-N 2.92Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.4Å; T194-L197 PolarHBondContact O-N 2.78Å; T194-L198 HydrophobicContact CG2-CD1 4.13Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.98Å |
| 195 | R | 85.9 | Confident | 82.3 | Confident | 129 Ų | 129 | 50.9 Ų | 50.9 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.5 | -74.5 | -174.8 | -71.9 | 156.8 | -5.8 | 112.3 | E191 H192 L193 A199 | E191-R195 WeakPolarHBondContact O-CG 3.28Å; E191-R195 PolarHBondContact O-N 2.92Å; H192-R195 PolarHBondContact O-N 2.9Å; L193-R195 PolarHBondContact O-N 2.87Å; R195-A199 WeakPolarHBondContact O-CB 3.43Å; R195-A199 PolarHBondContact O-N 2.99Å |
| 196 | L | 84.8 | Confident | 80.2 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 178.3 | -67.3 | 176.9 | 0 | 0 | 0 | 112.7 | H192 L193 T194 A199 K200 L255 V258 | H192-L196 WeakPolarHBondContact O-CG 3.28Å; H192-L196 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 3.4Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-L196 PolarHBondContact O-N 3.4Å; L196-A199 PolarHBondContact O-N 3.44Å; L196-K200 PolarHBondContact O-N 2.66Å; L196-L255 HydrophobicContact CB-CD2 3.58Å; L196-L255 HydrophobicContact CD1-CD2 4.11Å; L196-V258 HydrophobicContact CD1-CG2 3.62Å |
| 197 | L | 83.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.2 | -70.4 | 168.9 | 0 | 0 | 0 | 111.4 | L193 T194 A199 K200 Y202 F204 V213 M251 L255 | L193-L197 HydrophobicContact CD1-CD1 4.2Å; L193-L197 HydrophobicContact CD1-CG 4.22Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.46Å; L193-L197 VanDerWaalsContact O-CG 3.32Å; L193-L197 WeakPolarHBondContact O-CG 3.02Å; L193-L197 PolarHBondContact O-N 2.9Å; T194-L197 PolarHBondContact O-N 2.78Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.23Å; L197-K200 PolarHBondContact O-N 3.33Å; L197-Y202 HydrophobicContact CD2-CD2 4.03Å; L197-Y202 HydrophobicContact CD2-CE2 4.5Å; L197-Y202 PolarHBondContact O-N 3.21Å; L197-F204 HydrophobicContact CB-CE2 3.92Å; L197-F204 HydrophobicContact CB-CZ 4.38Å; L197-F204 HydrophobicContact CD1-CE2 4.14Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; L197-V213 HydrophobicContact CD1-CG1 4.47Å; L197-V213 HydrophobicContact CD1-CG2 4.09Å; L197-M251 HydrophobicContact CD2-SD 4.02Å; L197-L255 HydrophobicContact CD2-CD1 3.88Å; L197-L255 HydrophobicContact CD2-CD2 4.49Å |
| 198 | L | 83.3 | Confident | 76.5 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.4 | -70.9 | 171.6 | 0 | 0 | 0 | 111.9 | T194 K200 G201 | T194-L198 HydrophobicContact CG2-CD1 4.13Å; T194-L198 VanDerWaalsContact O-CG 3.31Å; T194-L198 WeakPolarHBondContact O-CG 3.41Å; T194-L198 PolarHBondContact O-N 2.98Å; L198-K200 PolarHBondContact O-N 3.43Å; L198-G201 PolarHBondContact O-N 3.05Å |
| 199 | A | 82.7 | Confident | 75 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 72% | 0.719 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63 | -27.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R195 L196 L197 G201 | R195-A199 WeakPolarHBondContact O-CB 3.43Å; R195-A199 PolarHBondContact O-N 2.99Å; L196-A199 PolarHBondContact O-N 3.44Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-A199 PolarHBondContact O-N 3.23Å; A199-G201 VanDerWaalsContact C-N 3.27Å |
| 200 | K | 78.2 | Confident | 74 | Confident | 97 Ų | 97 | 67 Ų | 67 | 42% | 0.422 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -3.1 | 173.7 | -74.4 | -168.5 | 176 | -168.6 | 0 | 114.4 | L196 L197 L198 Y202 S252 L255 | L196-K200 PolarHBondContact O-N 2.66Å; L197-K200 PolarHBondContact O-N 3.33Å; L198-K200 PolarHBondContact O-N 3.43Å; K200-Y202 HydrophobicContact CB-CD2 3.91Å; K200-Y202 HydrophobicContact CB-CE2 4.05Å; K200-Y202 HydrophobicContact CD-CE2 4.24Å; K200-S252 PolarHBondContact NZ-OG 3.5Å; K200-L255 HydrophobicContact CD-CD1 4.05Å |
| 201 | G | 74.1 | Confident | 73.4 | Confident | 54 Ų | 54 | 69.9 Ų | 69.9 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 8.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L198 A199 T203 | L198-G201 PolarHBondContact O-N 3.05Å; A199-G201 VanDerWaalsContact C-N 3.27Å; G201-T203 PolarHBondContact O-N 3.35Å; G201-T203 VanDerWaalsContact O-N 3.11Å |
| 202 | Y | 73.9 | Confident | 73.1 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 26% | 0.263 | 37% | 0.374 | S | S | . | . | trans | -72.3 | 106.4 | 168.3 | -63.7 | -66.5 | 0 | 0 | 0 | 108.3 | L197 K200 I249 Q250 | L197-Y202 HydrophobicContact CD2-CD2 4.03Å; L197-Y202 HydrophobicContact CD2-CE2 4.5Å; L197-Y202 PolarHBondContact O-N 3.21Å; K200-Y202 HydrophobicContact CB-CD2 3.91Å; K200-Y202 HydrophobicContact CB-CE2 4.05Å; K200-Y202 HydrophobicContact CD-CE2 4.24Å; Y202-I249 HydrophobicContact CD1-CG1 4.16Å; Y202-I249 HydrophobicContact CD2-CG2 4.43Å; Y202-I249 HydrophobicContact CE1-CB 4.41Å; Y202-I249 HydrophobicContact CE1-CG1 4.12Å; Y202-I249 HydrophobicContact CE1-CG2 4.07Å; Y202-I249 HydrophobicContact CE2-CG2 3.92Å; Y202-Q250 PolarHBondContact OH-N 2.72Å; Y202-Q250 PolarHBondContact OH-O 3.02Å | ||
| 203 | T | 65.1 | Low | 72.9 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | trans | -98.5 | 114.2 | 175.2 | 51 | 0 | 0 | 0 | 0 | 108.5 | G201 | G201-T203 PolarHBondContact O-N 3.35Å; G201-T203 VanDerWaalsContact O-N 3.11Å | ||
| 204 | F | 63.2 | Low | 72.9 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | trans | -93.7 | 123.7 | 174.4 | -58.1 | -81.6 | 0 | 0 | 0 | 108.2 | L197 C206 N209 L243 I249 | L197-F204 HydrophobicContact CB-CE2 3.92Å; L197-F204 HydrophobicContact CB-CZ 4.38Å; L197-F204 HydrophobicContact CD1-CE2 4.14Å; L197-F204 HydrophobicContact CD1-CZ 4.06Å; F204-C206 PolarHBondContact O-N 2.98Å; F204-N209 WeakPolarHBondContact CB-OD1 3.34Å; F204-N209 WeakPolarHBondContact CD2-OD1 3.15Å; F204-N209 WeakPolarHBondContact CG-OD1 3.46Å; F204-L243 HydrophobicContact CD1-CD2 4.34Å; F204-L243 HydrophobicContact CE1-CD1 4.23Å; F204-L243 HydrophobicContact CE1-CD2 3.81Å; F204-I249 HydrophobicContact CE1-CD1 3.69Å; F204-I249 HydrophobicContact CZ-CD1 3.76Å | ||
| 205 | P | 52.7 | Low | 72.9 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | trans | -59.6 | 132.4 | 171.3 | 23.2 | -29.1 | 0 | 0 | 0 | 109 | ||||
| 206 | C | 50.2 | Low | 72.9 | Confident | 96 Ų | 96 | 60.2 Ų | 60.2 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -18.2 | 127 | -169.6 | -84.9 | 0 | 0 | 0 | 0 | 117.8 | F204 L208 | F204-C206 PolarHBondContact O-N 2.98Å; C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 3.39Å |
| 207 | I | 51.8 | Low | 73.1 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -18.1 | 148.4 | -52.5 | 158.1 | 0 | 0 | 0 | 117.3 | Y66 N209 | Y66-I207 HydrophobicContact CD2-CB 3.83Å; Y66-I207 HydrophobicContact CD2-CD1 3.99Å; Y66-I207 HydrophobicContact CD2-CG2 3.48Å; Y66-I207 VanDerWaalsContact CD2-CG2 3.48Å; Y66-I207 HydrophobicContact CE2-CB 3.65Å; Y66-I207 HydrophobicContact CE2-CD1 3.89Å; Y66-I207 HydrophobicContact CE2-CG1 4.37Å; Y66-I207 HydrophobicContact CE2-CG2 3.86Å; Y66-I207 HydrophobicContact CG-CG2 4.01Å; I207-N209 PolarHBondContact O-N 3.2Å |
| 208 | L | 51.8 | Low | 73.3 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -7.8 | 157.6 | -122.8 | 89.7 | 0 | 0 | 0 | 112.5 | C206 K210 V212 P244 | C206-L208 VanDerWaalsContact C-N 3.28Å; C206-L208 PolarHBondContact O-N 3.39Å; L208-K210 PolarHBondContact O-N 3.2Å; L208-V212 HydrophobicContact CD2-CG2 4.03Å; L208-V212 HydrophobicContact CG-CG2 4.43Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.33Å; L208-V212 WeakPolarHBondContact O-CG2 3.23Å; L208-V212 PolarHBondContact O-N 3.3Å; L208-P244 HydrophobicContact CD2-CG 4.39Å |
| 209 | N | 61.6 | Low | 73.4 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -49.5 | -51.2 | 178.7 | -90.1 | -40.1 | 0 | 0 | 0 | 114.7 | F204 I207 V213 | F204-N209 WeakPolarHBondContact CB-OD1 3.34Å; F204-N209 WeakPolarHBondContact CD2-OD1 3.15Å; F204-N209 WeakPolarHBondContact CG-OD1 3.46Å; I207-N209 PolarHBondContact O-N 3.2Å; N209-V213 WeakPolarHBondContact O-CB 3.21Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 2.85Å |
| 210 | K | 71.1 | Confident | 73.5 | Confident | 71 Ų | 71 | 64 Ų | 64 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.2 | -48.8 | -165.4 | -166.7 | 175.9 | 175.5 | -176 | 0 | 112.2 | T190 L208 V212 V213 D214 | T190-K210 HydrophobicContact CG2-CG 4.15Å; L208-K210 PolarHBondContact O-N 3.2Å; K210-V212 PolarHBondContact O-N 3Å; K210-V213 PolarHBondContact O-N 3.18Å; K210-D214 VanDerWaalsContact O-CB 3.29Å; K210-D214 WeakPolarHBondContact O-CB 3.22Å; K210-D214 VanDerWaalsContact O-CG 3.23Å; K210-D214 PolarHBondContact O-N 2.84Å |
| 211 | A | 77.9 | Confident | 73.9 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D214 D215 | A211-D214 PolarHBondContact O-N 2.87Å; A211-D215 PolarHBondContact O-N 3.37Å |
| 212 | V | 81.2 | Confident | 74.4 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L208 K210 D214 D215 I216 Y241 L243 P244 | L208-V212 HydrophobicContact CD2-CG2 4.03Å; L208-V212 HydrophobicContact CG-CG2 4.43Å; L208-V212 VanDerWaalsContact O-CB 3.31Å; L208-V212 WeakPolarHBondContact O-CB 3.33Å; L208-V212 WeakPolarHBondContact O-CG2 3.23Å; L208-V212 PolarHBondContact O-N 3.3Å; K210-V212 PolarHBondContact O-N 3Å; V212-D214 VanDerWaalsContact C-N 3.3Å; V212-D214 PolarHBondContact O-N 3.28Å; V212-D215 PolarHBondContact O-N 3.33Å; V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 HydrophobicContact CG1-CG1 4.45Å; V212-I216 WeakPolarHBondContact O-CB 3.37Å; V212-I216 VanDerWaalsContact O-CG1 3.23Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 2.88Å; V212-Y241 HydrophobicContact CG1-CE1 4.32Å; V212-L243 HydrophobicContact CG1-CD2 3.58Å; V212-P244 HydrophobicContact CG2-CG 4.08Å |
| 213 | V | 84.9 | Confident | 75 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 177 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | T190 L193 L197 N209 K210 I216 K217 | T190-V213 HydrophobicContact CG2-CB 4.18Å; T190-V213 HydrophobicContact CG2-CG1 3.8Å; L193-V213 HydrophobicContact CB-CG1 4.06Å; L193-V213 HydrophobicContact CD2-CG1 3.63Å; L193-V213 HydrophobicContact CG-CG1 3.79Å; L197-V213 HydrophobicContact CD1-CG1 4.47Å; L197-V213 HydrophobicContact CD1-CG2 4.09Å; N209-V213 WeakPolarHBondContact O-CB 3.21Å; N209-V213 WeakPolarHBondContact O-CG2 3.44Å; N209-V213 PolarHBondContact O-N 2.85Å; K210-V213 PolarHBondContact O-N 3.18Å; V213-I216 PolarHBondContact O-N 3.02Å; V213-K217 VanDerWaalsContact O-CB 3.22Å; V213-K217 WeakPolarHBondContact O-CB 3.45Å; V213-K217 PolarHBondContact O-N 3.06Å |
| 214 | D | 86.2 | Confident | 75.5 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 171.4 | -77.5 | -36.2 | 0 | 0 | 0 | 111.3 | T190 K210 A211 V212 K217 E218 | T190-D214 WeakPolarHBondContact CB-OD1 3.46Å; T190-D214 WeakPolarHBondContact CG2-OD1 3.4Å; T190-D214 PolarHBondContact OG1-OD1 2.85Å; K210-D214 VanDerWaalsContact O-CB 3.29Å; K210-D214 WeakPolarHBondContact O-CB 3.22Å; K210-D214 VanDerWaalsContact O-CG 3.23Å; K210-D214 PolarHBondContact O-N 2.84Å; A211-D214 PolarHBondContact O-N 2.87Å; V212-D214 VanDerWaalsContact C-N 3.3Å; V212-D214 PolarHBondContact O-N 3.28Å; D214-K217 WeakPolarHBondContact O-CB 3.45Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.35Å; D214-K217 PolarHBondContact OD1-NZ 3.43Å; D214-E218 WeakPolarHBondContact O-CG 3.14Å; D214-E218 PolarHBondContact O-N 3.14Å |
| 215 | D | 86.7 | Confident | 75.5 | Confident | 46 Ų | 46 | 55.3 Ų | 55.3 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.6 | -173.5 | 67 | 0 | 0 | 0 | 112.3 | A211 V212 K217 E218 K219 Y241 | A211-D215 PolarHBondContact O-N 3.37Å; V212-D215 PolarHBondContact O-N 3.33Å; D215-K217 VanDerWaalsContact C-N 3.34Å; D215-E218 PolarHBondContact O-N 3.05Å; D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.41Å; D215-K219 WeakPolarHBondContact OD1-CE 3.05Å; D215-K219 IonicContact OD1-NZ 3.29Å; D215-K219 PolarHBondContact OD1-NZ 2.74Å; D215-K219 IonicContact OD2-NZ 2.99Å; D215-K219 PolarHBondContact OD2-NZ 3.28Å; D215-Y241 VanDerWaalsContact OD2-CE2 3.31Å; D215-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D215-Y241 PolarHBondContact OD2-OH 3.33Å |
| 216 | I | 86 | Confident | 75.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 172.9 | -70.8 | 169.7 | 0 | 0 | 0 | 110 | L193 V212 V213 L220 Y241 I249 M251 | L193-I216 HydrophobicContact CD2-CG2 4.09Å; V212-I216 HydrophobicContact CG1-CD1 3.96Å; V212-I216 HydrophobicContact CG1-CG1 4.45Å; V212-I216 WeakPolarHBondContact O-CB 3.37Å; V212-I216 VanDerWaalsContact O-CG1 3.23Å; V212-I216 WeakPolarHBondContact O-CG1 3.39Å; V212-I216 PolarHBondContact O-N 2.88Å; V213-I216 PolarHBondContact O-N 3.02Å; I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 VanDerWaalsContact O-CB 3.24Å; I216-L220 WeakPolarHBondContact O-CB 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.93Å; I216-Y241 HydrophobicContact CD1-CD1 4Å; I216-Y241 HydrophobicContact CD1-CE1 3.9Å; I216-Y241 HydrophobicContact CG1-CD1 3.71Å; I216-Y241 HydrophobicContact CG1-CD2 4.13Å; I216-Y241 HydrophobicContact CG1-CE1 3.51Å; I216-Y241 HydrophobicContact CG1-CE2 3.95Å; I216-Y241 HydrophobicContact CG1-CG 4.01Å; I216-I249 HydrophobicContact CD1-CD1 4.37Å; I216-M251 HydrophobicContact CG2-CE 3.61Å; I216-M251 HydrophobicContact CG2-SD 4.41Å |
| 217 | K | 88.9 | Confident | 75.7 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -50.2 | 178.8 | 175.4 | -166 | 76.4 | -163.5 | 0 | 110.6 | I189 T190 L193 V213 D214 D215 C221 F307 | I189-K217 HydrophobicContact CB-CD 4.48Å; I189-K217 HydrophobicContact CG2-CD 3.82Å; I189-K217 HydrophobicContact CG2-CG 4.1Å; T190-K217 WeakPolarHBondContact OG1-CD 3.23Å; T190-K217 PolarHBondContact OG1-NZ 3.45Å; L193-K217 HydrophobicContact CD2-CB 3.93Å; V213-K217 VanDerWaalsContact O-CB 3.22Å; V213-K217 WeakPolarHBondContact O-CB 3.45Å; V213-K217 PolarHBondContact O-N 3.06Å; D214-K217 WeakPolarHBondContact O-CB 3.45Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.35Å; D214-K217 PolarHBondContact OD1-NZ 3.43Å; D215-K217 VanDerWaalsContact C-N 3.34Å; K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.5Å; K217-C221 PolarHBondContact O-N 3.47Å; K217-C221 VanDerWaalsContact O-N 3.17Å; K217-F307 HydrophobicContact CD-CZ 4.01Å; K217-F307 HydrophobicContact CG-CE1 3.82Å; K217-F307 HydrophobicContact CG-CZ 3.64Å |
| 218 | E | 87.9 | Confident | 75.3 | Confident | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68 | -36.4 | -176.5 | -71.9 | 177.4 | -166 | 0 | 0 | 112.9 | D214 D215 | D214-E218 WeakPolarHBondContact O-CG 3.14Å; D214-E218 PolarHBondContact O-N 3.14Å; D215-E218 PolarHBondContact O-N 3.05Å |
| 219 | K | 85.9 | Confident | 75 | Confident | 137 Ų | 137 | 59 Ų | 59 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -84.9 | -33.5 | -177.7 | -72.2 | 173.9 | 178.3 | 159 | 0 | 114.4 | D215 Y241 | D215-K219 WeakPolarHBondContact O-CB 3.25Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.41Å; D215-K219 WeakPolarHBondContact OD1-CE 3.05Å; D215-K219 IonicContact OD1-NZ 3.29Å; D215-K219 PolarHBondContact OD1-NZ 2.74Å; D215-K219 IonicContact OD2-NZ 2.99Å; D215-K219 PolarHBondContact OD2-NZ 3.28Å; K219-Y241 HydrophobicContact CD-CE2 4.25Å |
| 220 | L | 84 | Confident | 74.3 | Confident | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -115.2 | -25.2 | -165.2 | -51.6 | 177.5 | 0 | 0 | 0 | 114 | I216 T239 Y241 M251 | I216-L220 HydrophobicContact CG2-CD1 3.84Å; I216-L220 VanDerWaalsContact O-CB 3.24Å; I216-L220 WeakPolarHBondContact O-CB 3.28Å; I216-L220 WeakPolarHBondContact O-CG 3.42Å; I216-L220 PolarHBondContact O-N 2.93Å; L220-T239 HydrophobicContact CD2-CG2 3.61Å; L220-Y241 HydrophobicContact CD1-CD2 3.89Å; L220-Y241 HydrophobicContact CD1-CG 4Å; L220-Y241 HydrophobicContact CG-CD2 4.42Å; L220-M251 HydrophobicContact CD1-CE 4.31Å; L220-M251 HydrophobicContact CD1-CG 3.64Å |
| 221 | C | 86.6 | Confident | 73 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | trans | -80.5 | 142.8 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | K217 L255 C256 P259 F307 | K217-C221 VanDerWaalsContact O-CB 3.22Å; K217-C221 WeakPolarHBondContact O-CB 3.5Å; K217-C221 PolarHBondContact O-N 3.47Å; K217-C221 VanDerWaalsContact O-N 3.17Å; C221-L255 PolarHBondContact SG-O 2.97Å; C221-C256 VanDerWaalsContact CA-O 3.31Å; C221-C256 WeakPolarHBondContact CA-O 3.11Å; C221-C256 WeakPolarHBondContact CB-O 3.34Å; C221-P259 HydrophobicContact CB-CG 3.68Å; C221-F307 HydrophobicContact CB-CD1 4.15Å; C221-F307 HydrophobicContact CB-CE1 3.77Å | ||
| 222 | S | 85.8 | Confident | 71.3 | Confident | 47 Ų | 47 | 72 Ų | 72 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | trans | -146.5 | 155.6 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | C256 | S222-C256 PolarHBondContact N-O 3.31Š| ||
| 223 | V | 84.7 | Confident | 69.4 | Low | 9 Ų | 9 | 76.9 Ų | 76.9 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | trans | -90.2 | 132 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | P259 F263 F307 P308 L310 R313 | V223-P259 HydrophobicContact CG2-CB 3.74Å; V223-F263 HydrophobicContact CG1-CD2 4.35Å; V223-F263 HydrophobicContact CG1-CE2 3.67Å; V223-F263 HydrophobicContact CG1-CZ 4.28Å; V223-F263 HydrophobicContact CG2-CE2 4.24Å; V223-F307 HydrophobicContact CG2-CB 4.08Å; V223-P308 PolarHBondContact N-O 3.21Å; V223-L310 HydrophobicContact CB-CB 4.41Å; V223-L310 HydrophobicContact CG2-CB 3.95Å; V223-L310 HydrophobicContact CG2-CD1 4.3Å; V223-L310 HydrophobicContact CG2-CG 4.39Å; V223-R313 HydrophobicContact CG1-CB 3.71Å; V223-R313 HydrophobicContact CG1-CG 3.73Å | ||
| 224 | S | 77.3 | Confident | 67.4 | Low | 25 Ų | 25 | 81.1 Ų | 81.1 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | trans | -86.8 | 153.1 | -177.9 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | G226 E260 R313 | S224-G226 PolarHBondContact O-N 3.44Å; S224-E260 PolarHBondContact N-OE1 2.9Å; S224-E260 PolarHBondContact OG-OE1 2.72Å; S224-R313 PolarHBondContact O-NH1 2.79Å | ||
| 225 | W | 62.7 | Low | 65.2 | Low | 106 Ų | 106 | 88.6 Ų | 88.6 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -75.3 | 3.5 | -173.9 | -166.8 | -113.5 | 0 | 0 | 0 | 115.4 | D229 D312 R316 | W225-D229 VanDerWaalsContact CD1-OD2 3.28Å; W225-D312 HydrophobicContact CE3-CB 3.9Å; W225-D312 HydrophobicContact CH2-CB 3.67Å; W225-D312 HydrophobicContact CZ3-CB 3.02Å; W225-R316 VanDerWaalsContact CD1-NH1 3.26Å |
| 226 | G | 57.1 | Low | 63.2 | Low | 25 Ų | 25 | 94.7 Ų | 94.7 | 26% | 0.258 | 46% | 0.457 | S | S | . | . | trans | 124.3 | 171.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S224 E228 T230 | S224-G226 PolarHBondContact O-N 3.44Å; G226-E228 VanDerWaalsContact C-N 3.32Å; G226-E228 PolarHBondContact O-N 3.42Å; G226-T230 PolarHBondContact O-OG1 2.86Å | ||
| 227 | Q | 49.2 | Very low | 61.3 | Low | 188 Ų | 188 | 98.7 Ų | 98.7 | 88% | 0.879 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -72.9 | -9.1 | -172.5 | -74.8 | -173.2 | -5.5 | 0 | 0 | 115.6 | T230 | Q227-T230 VanDerWaalsContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact O-CB 3.16Å; Q227-T230 PolarHBondContact O-OG1 3.24Å |
| 228 | E | 44.8 | Very low | 59.8 | Low | 183 Ų | 183 | 103.3 Ų | 103.3 | 86% | 0.855 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -96.5 | -31.4 | -174.1 | -68.8 | -167.4 | 155.3 | 0 | 0 | 115 | G226 T230 | G226-E228 VanDerWaalsContact C-N 3.32Å; G226-E228 PolarHBondContact O-N 3.42Å; E228-T230 PolarHBondContact O-N 3.4Å |
| 229 | D | 45.6 | Very low | 58.8 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -72.4 | -7.3 | 171.8 | -81.5 | -34.1 | 0 | 0 | 0 | 112.9 | W225 R231 K232 N233 | W225-D229 VanDerWaalsContact CD1-OD2 3.28Å; D229-R231 PolarHBondContact O-N 2.89Å; D229-R231 VanDerWaalsContact O-N 3.15Å; D229-K232 PolarHBondContact O-N 3.44Å; D229-K232 VanDerWaalsContact O-N 3.15Å; D229-N233 PolarHBondContact O-N 3.46Å |
| 230 | T | 46.2 | Very low | 58.4 | Low | 34 Ų | 34 | 99.1 Ų | 99.1 | 21% | 0.209 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -57.8 | -29.5 | -177.2 | -32.7 | 0 | 0 | 0 | 0 | 114.1 | G226 Q227 E228 C234 | G226-T230 PolarHBondContact O-OG1 2.86Å; Q227-T230 VanDerWaalsContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.31Å; Q227-T230 WeakPolarHBondContact O-CB 3.16Å; Q227-T230 PolarHBondContact O-OG1 3.24Å; E228-T230 PolarHBondContact O-N 3.4Å; T230-C234 PolarHBondContact O-SG 3.02Å |
| 231 | R | 43.6 | Very low | 58.1 | Low | 230 Ų | 230 | 99.1 Ų | 99.1 | 87% | 0.868 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -87.8 | -21.6 | -178.9 | -71 | -177.7 | 179 | 179.3 | 1 | 113.6 | D229 | D229-R231 PolarHBondContact O-N 2.89Å; D229-R231 VanDerWaalsContact O-N 3.15Å |
| 232 | K | 41.7 | Very low | 57.8 | Low | 178 Ų | 178 | 105.6 Ų | 105.6 | 77% | 0.774 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -27.4 | -175.1 | -73.1 | -176.9 | 178.6 | 174.8 | 0 | 113.1 | D229 | D229-K232 PolarHBondContact O-N 3.44Å; D229-K232 VanDerWaalsContact O-N 3.15Å |
| 233 | N | 42.3 | Very low | 57.5 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -94.1 | 0.2 | 176 | -75.4 | -5.5 | 0 | 0 | 0 | 114.6 | D229 Q235 Q236 | D229-N233 PolarHBondContact O-N 3.46Å; N233-Q235 PolarHBondContact O-N 2.94Å; N233-Q236 PolarHBondContact O-N 3.18Å |
| 234 | C | 41.4 | Very low | 57.1 | Low | 88 Ų | 88 | 108.4 Ų | 108.4 | 60% | 0.595 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -4.3 | 179.6 | -92.6 | 0 | 0 | 0 | 0 | 115.9 | T230 | T230-C234 PolarHBondContact O-SG 3.02Š|
| 235 | Q | 40.4 | Very low | 56.9 | Low | 189 Ų | 189 | 111.7 Ų | 111.7 | 88% | 0.883 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 0.3 | -178.2 | -74.3 | -171.8 | -21.9 | 0 | 0 | 115.5 | N233 | N233-Q235 PolarHBondContact O-N 2.94Š|
| 236 | Q | 44.6 | Very low | 57.4 | Low | 174 Ų | 174 | 108.5 Ų | 108.5 | 81% | 0.813 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -147.3 | 119.7 | -178 | -66.4 | 175.1 | -12.6 | 0 | 0 | 108.4 | N233 | N233-Q236 PolarHBondContact O-N 3.18Š|
| 237 | A | 47.6 | Very low | 58.4 | Low | 84 Ų | 84 | 112 Ų | 112 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | cis | -146.9 | 141.9 | 9.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | T239 | A237-T239 PolarHBondContact O-N 3.3Š| ||
| 238 | L | 56 | Low | 59.9 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 59% | 0.586 | 56% | 0.555 | S | S | * | * | trans | -65.1 | 106.6 | 162.6 | -78.2 | 156.5 | 0 | 0 | 0 | 106.5 | E240 Q250 | L238-E240 PolarHBondContact O-N 3.48Å; L238-Q250 HydrophobicContact CD2-CB 4.46Å | ||
| 239 | T | 67.1 | Low | 61.4 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 37% | 0.368 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.7 | 175.3 | -39.8 | 0 | 0 | 0 | 0 | 107.8 | L220 A237 M251 | L220-T239 HydrophobicContact CD2-CG2 3.61Å; A237-T239 PolarHBondContact O-N 3.3Å; T239-M251 WeakPolarHBondContact O-CB 3.36Å; T239-M251 PolarHBondContact O-N 3Å; T239-M251 VanDerWaalsContact O-N 3.1Å |
| 240 | E | 77.1 | Confident | 62.9 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 133.3 | 175.6 | -67.7 | -173.7 | 166.8 | 0 | 0 | 109.3 | L238 V248 Q250 | L238-E240 PolarHBondContact O-N 3.48Å; E240-V248 HydrophobicContact CB-CG1 3.7Å; E240-V248 HydrophobicContact CG-CG1 4.02Å; E240-Q250 HydrophobicContact CG-CG 4.43Å; E240-Q250 PolarHBondContact OE1-NE2 3.19Å |
| 241 | Y | 79.3 | Confident | 64 | Low | 25 Ų | 25 | 97.3 Ų | 97.3 | 10% | 0.098 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.7 | 174 | 179.4 | -89 | 0 | 0 | 0 | 109.5 | V212 D215 I216 K219 L220 L243 V248 I249 | V212-Y241 HydrophobicContact CG1-CE1 4.32Å; D215-Y241 VanDerWaalsContact OD2-CE2 3.31Å; D215-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D215-Y241 PolarHBondContact OD2-OH 3.33Å; I216-Y241 HydrophobicContact CD1-CD1 4Å; I216-Y241 HydrophobicContact CD1-CE1 3.9Å; I216-Y241 HydrophobicContact CG1-CD1 3.71Å; I216-Y241 HydrophobicContact CG1-CD2 4.13Å; I216-Y241 HydrophobicContact CG1-CE1 3.51Å; I216-Y241 HydrophobicContact CG1-CE2 3.95Å; I216-Y241 HydrophobicContact CG1-CG 4.01Å; K219-Y241 HydrophobicContact CD-CE2 4.25Å; L220-Y241 HydrophobicContact CD1-CD2 3.89Å; L220-Y241 HydrophobicContact CD1-CG 4Å; L220-Y241 HydrophobicContact CG-CD2 4.42Å; Y241-L243 HydrophobicContact CD1-CD2 4.4Å; Y241-L243 HydrophobicContact CE1-CD2 4.07Å; Y241-V248 WeakPolarHBondContact O-CA 3.48Å; Y241-I249 PolarHBondContact N-O 3.22Å; Y241-I249 PolarHBondContact O-N 3.02Å |
| 242 | Q | 80.3 | Confident | 65.2 | Low | 138 Ų | 138 | 87.6 Ų | 87.6 | 65% | 0.645 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 117.5 | 177 | -170.7 | -179.8 | -6.6 | 0 | 0 | 109.5 | ||
| 243 | L | 79.6 | Confident | 66.5 | Low | 18 Ų | 18 | 82.5 Ų | 82.5 | 9% | 0.094 | 45% | 0.454 | C | S | . | . | trans | -68.5 | 158.8 | 172.8 | -72.6 | 167.7 | 0 | 0 | 0 | 111.2 | F204 V212 Y241 D245 G246 N247 I249 | F204-L243 HydrophobicContact CD1-CD2 4.34Å; F204-L243 HydrophobicContact CE1-CD1 4.23Å; F204-L243 HydrophobicContact CE1-CD2 3.81Å; V212-L243 HydrophobicContact CG1-CD2 3.58Å; Y241-L243 HydrophobicContact CD1-CD2 4.4Å; Y241-L243 HydrophobicContact CE1-CD2 4.07Å; L243-D245 WeakPolarHBondContact CB-OD1 3.5Å; L243-D245 PolarHBondContact O-N 2.96Å; L243-D245 VanDerWaalsContact O-N 3.1Å; L243-G246 PolarHBondContact O-N 3.46Å; L243-N247 HydrophobicContact CB-CB 4.47Å; L243-N247 WeakPolarHBondContact CB-O 3.31Å; L243-N247 HydrophobicContact CD1-CB 3.89Å; L243-N247 PolarHBondContact N-O 2.83Å; L243-I249 HydrophobicContact CD1-CD1 3.72Å; L243-I249 HydrophobicContact CD1-CG1 3.83Å; L243-I249 HydrophobicContact CD2-CD1 3.83Å; L243-I249 HydrophobicContact CG-CD1 3.82Å; L243-I249 HydrophobicContact CG-CG1 4.05Å | ||
| 244 | P | 75.6 | Confident | 67.6 | Low | 96 Ų | 96 | 84 Ų | 84 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.9 | 176.6 | -25.4 | 34.7 | 0 | 0 | 0 | 114.7 | L208 V212 G246 | L208-P244 HydrophobicContact CD2-CG 4.39Å; V212-P244 HydrophobicContact CG2-CG 4.08Å; P244-G246 VanDerWaalsContact C-N 3.28Å |
| 245 | D | 72.3 | Confident | 68.8 | Low | 95 Ų | 95 | 80 Ų | 80 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.5 | 175.9 | 65 | -3.1 | 0 | 0 | 0 | 113.3 | L243 N247 | L243-D245 WeakPolarHBondContact CB-OD1 3.5Å; L243-D245 PolarHBondContact O-N 2.96Å; L243-D245 VanDerWaalsContact O-N 3.1Å; D245-N247 WeakPolarHBondContact OD1-CB 3.34Å; D245-N247 PolarHBondContact OD1-N 3.01Å; D245-N247 PolarHBondContact OD2-ND2 3.34Å |
| 246 | G | 73.8 | Confident | 70.2 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 89.9 | -3.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L243 P244 | L243-G246 PolarHBondContact O-N 3.46Å; P244-G246 VanDerWaalsContact C-N 3.28Å |
| 247 | N | 78.6 | Confident | 71.6 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 141.5 | 176 | -72.2 | -39.2 | 0 | 0 | 0 | 111 | L243 D245 | L243-N247 HydrophobicContact CB-CB 4.47Å; L243-N247 WeakPolarHBondContact CB-O 3.31Å; L243-N247 HydrophobicContact CD1-CB 3.89Å; L243-N247 PolarHBondContact N-O 2.83Å; D245-N247 WeakPolarHBondContact OD1-CB 3.34Å; D245-N247 PolarHBondContact OD1-N 3.01Å; D245-N247 PolarHBondContact OD2-ND2 3.34Å |
| 248 | V | 79.8 | Confident | 73.4 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.2 | 179.5 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | E240 Y241 | E240-V248 HydrophobicContact CB-CG1 3.7Å; E240-V248 HydrophobicContact CG-CG1 4.02Å; Y241-V248 WeakPolarHBondContact O-CA 3.48Å |
| 249 | I | 77.3 | Confident | 74.9 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.7 | 171.9 | -64.2 | 179.9 | 0 | 0 | 0 | 108.6 | Y202 F204 I216 Y241 L243 M251 | Y202-I249 HydrophobicContact CD1-CG1 4.16Å; Y202-I249 HydrophobicContact CD2-CG2 4.43Å; Y202-I249 HydrophobicContact CE1-CB 4.41Å; Y202-I249 HydrophobicContact CE1-CG1 4.12Å; Y202-I249 HydrophobicContact CE1-CG2 4.07Å; Y202-I249 HydrophobicContact CE2-CG2 3.92Å; F204-I249 HydrophobicContact CE1-CD1 3.69Å; F204-I249 HydrophobicContact CZ-CD1 3.76Å; I216-I249 HydrophobicContact CD1-CD1 4.37Å; Y241-I249 PolarHBondContact N-O 3.22Å; Y241-I249 PolarHBondContact O-N 3.02Å; L243-I249 HydrophobicContact CD1-CD1 3.72Å; L243-I249 HydrophobicContact CD1-CG1 3.83Å; L243-I249 HydrophobicContact CD2-CD1 3.83Å; L243-I249 HydrophobicContact CG-CD1 3.82Å; L243-I249 HydrophobicContact CG-CG1 4.05Å; I249-M251 HydrophobicContact CG2-CG 4.21Å; I249-M251 HydrophobicContact CG2-SD 3.71Å |
| 250 | Q | 75.8 | Confident | 75.9 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.6 | 169.3 | -70.3 | -168 | -22.8 | 0 | 0 | 110 | Y202 L238 E240 | Y202-Q250 PolarHBondContact OH-N 2.72Å; Y202-Q250 PolarHBondContact OH-O 3.02Å; L238-Q250 HydrophobicContact CD2-CB 4.46Å; E240-Q250 HydrophobicContact CG-CG 4.43Å; E240-Q250 PolarHBondContact OE1-NE2 3.19Å |
| 251 | M | 71.1 | Confident | 76.5 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.6 | 178.4 | -64 | -66.3 | -82.1 | 0 | 0 | 109.9 | L193 L197 I216 L220 T239 I249 L255 | L193-M251 HydrophobicContact CD1-CE 4.28Å; L197-M251 HydrophobicContact CD2-SD 4.02Å; I216-M251 HydrophobicContact CG2-CE 3.61Å; I216-M251 HydrophobicContact CG2-SD 4.41Å; L220-M251 HydrophobicContact CD1-CE 4.31Å; L220-M251 HydrophobicContact CD1-CG 3.64Å; T239-M251 WeakPolarHBondContact O-CB 3.36Å; T239-M251 PolarHBondContact O-N 3Å; T239-M251 VanDerWaalsContact O-N 3.1Å; I249-M251 HydrophobicContact CG2-CG 4.21Å; I249-M251 HydrophobicContact CG2-SD 3.71Å; M251-L255 HydrophobicContact CE-CB 3.55Å; M251-L255 HydrophobicContact CE-CD1 3.91Å; M251-L255 HydrophobicContact CE-CG 4.34Å; M251-L255 HydrophobicContact SD-CB 4.29Å; M251-L255 HydrophobicContact SD-CD1 3.57Å; M251-L255 VanDerWaalsContact SD-CD1 3.57Å |
| 252 | S | 67.4 | Low | 77.1 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | trans | -85.9 | 156.2 | 171.2 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | K200 H254 L255 | K200-S252 PolarHBondContact NZ-OG 3.5Å; S252-H254 PolarHBondContact O-N 3.31Å; S252-L255 WeakPolarHBondContact O-CB 3.31Å; S252-L255 PolarHBondContact O-N 3.02Å | ||
| 253 | D | 68.4 | Low | 77.6 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -44.4 | -39.5 | 174.1 | -179.5 | 46.1 | 0 | 0 | 0 | 114.4 | L255 C256 R257 | D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.49Å; D253-C256 PolarHBondContact O-N 3.42Å; D253-R257 VanDerWaalsContact CG-NH2 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 3.39Å; D253-R257 IonicContact OD1-CZ 3.47Å; D253-R257 IonicContact OD1-NE 3.58Å; D253-R257 PolarHBondContact OD1-NE 3.34Å; D253-R257 IonicContact OD1-NH2 3.41Å; D253-R257 PolarHBondContact OD1-NH2 3.43Å; D253-R257 IonicContact OD2-CZ 3.62Å; D253-R257 IonicContact OD2-NE 3.23Å; D253-R257 PolarHBondContact OD2-NE 3.3Å; D253-R257 IonicContact OD2-NH2 2.82Å; D253-R257 PolarHBondContact OD2-NH2 2.92Å |
| 254 | H | 66.1 | Low | 78.1 | Confident | 150 Ų | 150 | 44 Ų | 44 | 69% | 0.694 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.4 | -29.8 | 176.4 | -63.4 | -65.6 | 0 | 0 | 0 | 115.2 | S252 | S252-H254 PolarHBondContact O-N 3.31Å |
| 255 | L | 67.8 | Low | 78.7 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -81.9 | -27.8 | 178.8 | -65 | 173.7 | 0 | 0 | 0 | 111.6 | L193 L196 L197 K200 C221 M251 S252 D253 R257 V258 | L193-L255 HydrophobicContact CD1-CB 4.42Å; L193-L255 HydrophobicContact CD1-CD2 4.22Å; L196-L255 HydrophobicContact CB-CD2 3.58Å; L196-L255 HydrophobicContact CD1-CD2 4.11Å; L197-L255 HydrophobicContact CD2-CD1 3.88Å; L197-L255 HydrophobicContact CD2-CD2 4.49Å; K200-L255 HydrophobicContact CD-CD1 4.05Å; C221-L255 PolarHBondContact SG-O 2.97Å; M251-L255 HydrophobicContact CE-CB 3.55Å; M251-L255 HydrophobicContact CE-CD1 3.91Å; M251-L255 HydrophobicContact CE-CG 4.34Å; M251-L255 HydrophobicContact SD-CB 4.29Å; M251-L255 HydrophobicContact SD-CD1 3.57Å; M251-L255 VanDerWaalsContact SD-CD1 3.57Å; S252-L255 WeakPolarHBondContact O-CB 3.31Å; S252-L255 PolarHBondContact O-N 3.02Å; D253-L255 VanDerWaalsContact C-N 3.29Å; D253-L255 PolarHBondContact O-N 3.49Å; L255-R257 PolarHBondContact O-N 3.05Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å |
| 256 | C | 69.5 | Low | 79.5 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.9 | -26.4 | 174.9 | -57 | 0 | 0 | 0 | 0 | 111.3 | C221 S222 D253 P259 | C221-C256 VanDerWaalsContact CA-O 3.31Å; C221-C256 WeakPolarHBondContact CA-O 3.11Å; C221-C256 WeakPolarHBondContact CB-O 3.34Å; S222-C256 PolarHBondContact N-O 3.31Å; D253-C256 PolarHBondContact O-N 3.42Å; C256-P259 WeakPolarHBondContact O-CD 3.49Å |
| 257 | R | 74.4 | Confident | 80 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 22% | 0.219 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 13.6 | -175.7 | -63 | 178.5 | -168.6 | -158.3 | 4.5 | 115.4 | D253 L255 E260 | D253-R257 VanDerWaalsContact CG-NH2 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.48Å; D253-R257 PolarHBondContact O-N 3.39Å; D253-R257 IonicContact OD1-CZ 3.47Å; D253-R257 IonicContact OD1-NE 3.58Å; D253-R257 PolarHBondContact OD1-NE 3.34Å; D253-R257 IonicContact OD1-NH2 3.41Å; D253-R257 PolarHBondContact OD1-NH2 3.43Å; D253-R257 IonicContact OD2-CZ 3.62Å; D253-R257 IonicContact OD2-NE 3.23Å; D253-R257 PolarHBondContact OD2-NE 3.3Å; D253-R257 IonicContact OD2-NH2 2.82Å; D253-R257 PolarHBondContact OD2-NH2 2.92Å; L255-R257 PolarHBondContact O-N 3.05Å; R257-E260 HydrophobicContact CB-CG 4.06Å; R257-E260 VanDerWaalsContact O-CB 3.3Å; R257-E260 WeakPolarHBondContact O-CB 3.36Å; R257-E260 VanDerWaalsContact O-CG 3.26Å; R257-E260 WeakPolarHBondContact O-CG 3.08Å; R257-E260 PolarHBondContact O-N 3.49Å |
| 258 | V | 84 | Confident | 80.3 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -54.5 | -34.4 | 173.5 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | I189 H192 L193 L196 L255 E260 V261 | I189-V258 HydrophobicContact CG2-CG1 3.76Å; H192-V258 HydrophobicContact CB-CG1 4.27Å; L193-V258 HydrophobicContact CB-CG1 4.2Å; L193-V258 HydrophobicContact CB-CG2 4.43Å; L193-V258 HydrophobicContact CD1-CG2 4Å; L196-V258 HydrophobicContact CD1-CG2 3.62Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å; V258-E260 PolarHBondContact O-N 2.98Å; V258-V261 WeakPolarHBondContact O-CG1 3.47Å; V258-V261 VanDerWaalsContact O-CG2 3.29Å; V258-V261 WeakPolarHBondContact O-CG2 3.46Å; V258-V261 PolarHBondContact O-N 2.92Å |
| 259 | P | 87.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -61.8 | -12.1 | 175 | -26.3 | 37.4 | 0 | 0 | 0 | 115.9 | C221 V223 C256 V261 L262 F307 | C221-P259 HydrophobicContact CB-CG 3.68Å; V223-P259 HydrophobicContact CG2-CB 3.74Å; C256-P259 WeakPolarHBondContact O-CD 3.49Å; P259-V261 PolarHBondContact O-N 3.44Å; P259-V261 VanDerWaalsContact O-N 3.11Å; P259-L262 WeakPolarHBondContact O-CB 3.29Å; P259-L262 PolarHBondContact O-N 2.91Å; P259-L262 VanDerWaalsContact O-N 3.08Å; P259-F307 HydrophobicContact CB-CD1 4.47Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE2 3.93Å; P259-F307 HydrophobicContact CB-CG 4.06Å; P259-F307 HydrophobicContact CB-CZ 4.39Å; P259-F307 HydrophobicContact CG-CD1 3.77Å; P259-F307 HydrophobicContact CG-CD2 3.88Å; P259-F307 HydrophobicContact CG-CE1 3.73Å; P259-F307 HydrophobicContact CG-CE2 3.82Å; P259-F307 HydrophobicContact CG-CG 3.87Å; P259-F307 HydrophobicContact CG-CZ 3.76Å |
| 260 | E | 87.4 | Confident | 81.1 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -60.5 | -19.7 | 174.9 | -66.9 | -72.6 | 155 | 0 | 0 | 112.5 | S224 R257 V258 L262 F263 T264 R313 | S224-E260 PolarHBondContact N-OE1 2.9Å; S224-E260 PolarHBondContact OG-OE1 2.72Å; R257-E260 HydrophobicContact CB-CG 4.06Å; R257-E260 VanDerWaalsContact O-CB 3.3Å; R257-E260 WeakPolarHBondContact O-CB 3.36Å; R257-E260 VanDerWaalsContact O-CG 3.26Å; R257-E260 WeakPolarHBondContact O-CG 3.08Å; R257-E260 PolarHBondContact O-N 3.49Å; V258-E260 PolarHBondContact O-N 2.98Å; E260-L262 PolarHBondContact O-N 2.94Å; E260-L262 VanDerWaalsContact O-N 3.16Å; E260-F263 PolarHBondContact O-N 3.22Å; E260-T264 PolarHBondContact O-N 3.14Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 2.73Å; E260-R313 IonicContact OE2-CZ 2.63Å; E260-R313 IonicContact OE2-NH1 2.82Å; E260-R313 PolarHBondContact OE2-NH1 3.21Å; E260-R313 IonicContact OE2-NH2 2.78Å; E260-R313 PolarHBondContact OE2-NH2 2.49Å |
| 261 | V | 90.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -60.2 | -21.5 | 174 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | V184 I189 V258 P259 F263 T264 P265 N267 L268 | V184-V261 HydrophobicContact CG1-CG2 4.24Å; I189-V261 HydrophobicContact CD1-CG2 4.48Å; I189-V261 HydrophobicContact CG1-CG2 3.69Å; V258-V261 WeakPolarHBondContact O-CG1 3.47Å; V258-V261 VanDerWaalsContact O-CG2 3.29Å; V258-V261 WeakPolarHBondContact O-CG2 3.46Å; V258-V261 PolarHBondContact O-N 2.92Å; P259-V261 PolarHBondContact O-N 3.44Å; P259-V261 VanDerWaalsContact O-N 3.11Å; V261-F263 VanDerWaalsContact C-N 3.34Å; V261-T264 CarbonylContact O-C 3.57Å; V261-P265 VanDerWaalsContact O-CA 3.28Å; V261-P265 WeakPolarHBondContact O-CA 3.41Å; V261-N267 HydrophobicContact CG1-CB 4.17Å; V261-L268 HydrophobicContact CB-CD1 3.87Å; V261-L268 HydrophobicContact CB-CG 4.04Å; V261-L268 HydrophobicContact CG1-CD1 4.21Å; V261-L268 HydrophobicContact CG1-CD2 4.16Å; V261-L268 HydrophobicContact CG1-CG 3.89Å; V261-L268 HydrophobicContact CG2-CD1 4.08Å |
| 262 | L | 91.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -69.9 | -32.5 | 173.8 | -66.7 | 170.6 | 0 | 0 | 0 | 112.1 | V184 I189 P259 E260 G274 I275 T304 L310 | V184-L262 HydrophobicContact CG1-CD2 4.43Å; I189-L262 HydrophobicContact CD1-CD1 3.92Å; I189-L262 HydrophobicContact CD1-CD2 4.04Å; I189-L262 HydrophobicContact CD1-CG 3.89Å; P259-L262 WeakPolarHBondContact O-CB 3.29Å; P259-L262 PolarHBondContact O-N 2.91Å; P259-L262 VanDerWaalsContact O-N 3.08Å; E260-L262 PolarHBondContact O-N 2.94Å; E260-L262 VanDerWaalsContact O-N 3.16Å; L262-G274 CarbonylContact O-C 3.6Å; L262-G274 VanDerWaalsContact O-CA 3.22Å; L262-G274 WeakPolarHBondContact O-CA 3.06Å; L262-I275 HydrophobicContact CB-CD1 4.23Å; L262-I275 HydrophobicContact CB-CG1 4.45Å; L262-I275 HydrophobicContact CB-CG2 4.18Å; L262-I275 PolarHBondContact O-N 2.87Å; L262-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD2-CG2 4.25Å; L262-L310 HydrophobicContact CD1-CD1 4.02Å |
| 263 | F | 91.5 | Very high | 83.6 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -33.1 | 178.2 | -65.8 | -90.1 | 0 | 0 | 0 | 111.6 | V223 E260 V261 G274 I275 L310 R313 L314 E317 | V223-F263 HydrophobicContact CG1-CD2 4.35Å; V223-F263 HydrophobicContact CG1-CE2 3.67Å; V223-F263 HydrophobicContact CG1-CZ 4.28Å; V223-F263 HydrophobicContact CG2-CE2 4.24Å; E260-F263 PolarHBondContact O-N 3.22Å; V261-F263 VanDerWaalsContact C-N 3.34Å; F263-G274 WeakPolarHBondContact O-CA 3.44Å; F263-I275 HydrophobicContact CD1-CD1 4.31Å; F263-I275 HydrophobicContact CD1-CG1 3.85Å; F263-I275 HydrophobicContact CD2-CD1 4.39Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 3.8Å; F263-I275 HydrophobicContact CE1-CG1 3.74Å; F263-I275 HydrophobicContact CE2-CD1 3.88Å; F263-I275 HydrophobicContact CE2-CG1 4.4Å; F263-I275 HydrophobicContact CG-CG1 4.25Å; F263-I275 HydrophobicContact CZ-CD1 3.58Å; F263-I275 HydrophobicContact CZ-CG1 4.05Å; F263-L310 HydrophobicContact CZ-CG 4.42Å; F263-R313 HydrophobicContact CD1-CG 4.22Å; F263-R313 HydrophobicContact CD2-CG 4.48Å; F263-R313 HydrophobicContact CE1-CB 4.44Å; F263-R313 HydrophobicContact CE1-CG 3.63Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.45Å; F263-R313 VanDerWaalsContact CZ-CG 3.45Å; F263-L314 HydrophobicContact CE1-CB 4.41Å; F263-L314 HydrophobicContact CE1-CD1 4.43Å; F263-E317 WeakPolarHBondContact CD1-OE2 3.36Å |
| 264 | T | 89.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | trans | -128.4 | 79.4 | 179.7 | -48.7 | 0 | 0 | 0 | 0 | 110.3 | E260 V261 D266 N267 | E260-T264 PolarHBondContact O-N 3.14Å; V261-T264 CarbonylContact O-C 3.57Å; T264-D266 HydrophobicContact CG2-CB 4.22Å; T264-D266 PolarHBondContact O-N 2.88Å; T264-N267 WeakPolarHBondContact O-CB 3.05Å; T264-N267 PolarHBondContact O-N 2.81Å | ||
| 265 | P | 89.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -65.6 | -16.5 | -179.3 | 27.9 | -36.3 | 0 | 0 | 0 | 113.2 | L182 V184 V261 N267 L268 I270 D272 | L182-P265 HydrophobicContact CD1-CB 4.44Å; V184-P265 HydrophobicContact CG2-CB 4.3Å; V261-P265 VanDerWaalsContact O-CA 3.28Å; V261-P265 WeakPolarHBondContact O-CA 3.41Å; P265-N267 PolarHBondContact O-N 3.19Å; P265-N267 VanDerWaalsContact O-N 3.1Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 2.92Å; P265-I270 CarbonylContact C-O 3.46Å; P265-I270 HydrophobicContact CB-CB 4.29Å; P265-I270 HydrophobicContact CB-CG2 4.43Å; P265-I270 PolarHBondContact O-N 3.2Å; P265-D272 WeakPolarHBondContact CG-O 3.48Å |
| 266 | D | 88.2 | Confident | 87.4 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -55.4 | -27.6 | 172.6 | -70.7 | -43.1 | 0 | 0 | 0 | 112.8 | T264 L268 G269 I270 H271 | T264-D266 HydrophobicContact CG2-CB 4.22Å; T264-D266 PolarHBondContact O-N 2.88Å; D266-L268 PolarHBondContact O-N 3.29Å; D266-G269 WeakPolarHBondContact O-CA 3.24Å; D266-G269 PolarHBondContact O-N 2.87Å; D266-I270 PolarHBondContact N-O 3.18Å; D266-H271 IonicContact OD1-CE1 2.91Å; D266-H271 IonicContact OD1-CG 2.66Å; D266-H271 IonicContact OD1-ND1 3.56Å; D266-H271 PolarHBondContact OD1-ND1 3.1Å |
| 267 | N | 84.7 | Confident | 88.6 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -62.8 | -21.6 | 175 | -71.1 | -12.4 | 0 | 0 | 0 | 113 | V261 T264 P265 | V261-N267 HydrophobicContact CG1-CB 4.17Å; T264-N267 WeakPolarHBondContact O-CB 3.05Å; T264-N267 PolarHBondContact O-N 2.81Å; P265-N267 PolarHBondContact O-N 3.19Å; P265-N267 VanDerWaalsContact O-N 3.1Å |
| 268 | L | 84.7 | Confident | 89.6 | Confident | 33 Ų | 33 | 42.3 Ų | 42.3 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -96 | 1.5 | 172.8 | -64.5 | 176 | 0 | 0 | 0 | 112.8 | V184 D188 H192 V261 P265 D266 I270 | V184-L268 HydrophobicContact CG1-CD1 3.73Å; V184-L268 HydrophobicContact CG2-CD1 4.36Å; D188-L268 HydrophobicContact CB-CD1 4.4Å; H192-L268 HydrophobicContact CB-CD2 3.77Å; H192-L268 VanDerWaalsContact ND1-CD2 3.29Å; H192-L268 WeakPolarHBondContact ND1-CD2 3.31Å; V261-L268 HydrophobicContact CB-CD1 3.87Å; V261-L268 HydrophobicContact CB-CG 4.04Å; V261-L268 HydrophobicContact CG1-CD1 4.21Å; V261-L268 HydrophobicContact CG1-CD2 4.16Å; V261-L268 HydrophobicContact CG1-CG 3.89Å; V261-L268 HydrophobicContact CG2-CD1 4.08Å; P265-L268 WeakPolarHBondContact O-CB 3.43Å; P265-L268 PolarHBondContact O-N 2.92Å; D266-L268 PolarHBondContact O-N 3.29Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 HydrophobicContact CB-CD1 4.13Å; L268-I270 HydrophobicContact CB-CG1 4.26Å |
| 269 | G | 86.2 | Confident | 90.2 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 57% | 0.567 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 18.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D266 | D266-G269 WeakPolarHBondContact O-CA 3.24Å; D266-G269 PolarHBondContact O-N 2.87Å |
| 270 | I | 87.3 | Confident | 90.5 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | trans | -103.3 | 112.4 | 179 | -61.7 | 170.4 | 0 | 0 | 0 | 108.3 | V184 P265 D266 L268 D272 | V184-I270 HydrophobicContact CG2-CD1 3.49Å; V184-I270 VanDerWaalsContact CG2-CD1 3.49Å; V184-I270 HydrophobicContact CG2-CG2 4.42Å; P265-I270 CarbonylContact C-O 3.46Å; P265-I270 HydrophobicContact CB-CB 4.29Å; P265-I270 HydrophobicContact CB-CG2 4.43Å; P265-I270 PolarHBondContact O-N 3.2Å; D266-I270 PolarHBondContact N-O 3.18Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 HydrophobicContact CB-CD1 4.13Å; L268-I270 HydrophobicContact CB-CG1 4.26Å; I270-D272 HydrophobicContact CG2-CB 3.99Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.38Å; I270-D272 PolarHBondContact O-N 2.84Å | ||
| 271 | H | 86.6 | Confident | 90.9 | Very high | 161 Ų | 161 | 43.2 Ų | 43.2 | 75% | 0.745 | 24% | 0.238 | S | C | * | . | trans | -85.5 | 51.1 | -177.9 | -61.7 | -51 | 0 | 0 | 0 | 112.7 | D266 | D266-H271 IonicContact OD1-CE1 2.91Å; D266-H271 IonicContact OD1-CG 2.66Å; D266-H271 IonicContact OD1-ND1 3.56Å; D266-H271 PolarHBondContact OD1-ND1 3.1Å | ||
| 272 | D | 89.9 | Confident | 91.1 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -107.6 | 172.6 | 175.3 | -76.8 | -38.7 | 0 | 0 | 0 | 111.4 | L182 P265 I270 | L182-D272 HydrophobicContact CD1-CB 3.58Å; P265-D272 WeakPolarHBondContact CG-O 3.48Å; I270-D272 HydrophobicContact CG2-CB 3.99Å; I270-D272 WeakPolarHBondContact CG2-OD2 3.38Å; I270-D272 PolarHBondContact O-N 2.84Å |
| 273 | L | 91 | Very high | 91.3 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | trans | -76.1 | 134.9 | 175 | -60 | 177.2 | 0 | 0 | 0 | 110.6 | K277 | L273-K277 HydrophobicContact CB-CB 4.15Å; L273-K277 HydrophobicContact CD2-CB 4.28Å; L273-K277 HydrophobicContact CD2-CD 4.28Å | ||
| 274 | G | 93.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -67.2 | 167.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L262 F263 S276 K277 M278 | L262-G274 CarbonylContact O-C 3.6Å; L262-G274 VanDerWaalsContact O-CA 3.22Å; L262-G274 WeakPolarHBondContact O-CA 3.06Å; F263-G274 WeakPolarHBondContact O-CA 3.44Å; G274-S276 VanDerWaalsContact C-N 3.3Å; G274-S276 PolarHBondContact O-N 3.4Å; G274-K277 PolarHBondContact O-N 2.93Å; G274-M278 VanDerWaalsContact O-CB 3.24Å; G274-M278 WeakPolarHBondContact O-CB 3.28Å; G274-M278 PolarHBondContact O-N 2.99Å | ||
| 275 | I | 94.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.8 | -35.9 | -170.6 | 59.9 | 171.6 | 0 | 0 | 0 | 114.8 | T164 L182 L262 F263 M278 A279 L314 | T164-I275 HydrophobicContact CG2-CG2 3.75Å; L182-I275 HydrophobicContact CD2-CG2 4.4Å; L262-I275 HydrophobicContact CB-CD1 4.23Å; L262-I275 HydrophobicContact CB-CG1 4.45Å; L262-I275 HydrophobicContact CB-CG2 4.18Å; L262-I275 PolarHBondContact O-N 2.87Å; F263-I275 HydrophobicContact CD1-CD1 4.31Å; F263-I275 HydrophobicContact CD1-CG1 3.85Å; F263-I275 HydrophobicContact CD2-CD1 4.39Å; F263-I275 HydrophobicContact CD2-CG1 4.5Å; F263-I275 HydrophobicContact CE1-CD1 3.8Å; F263-I275 HydrophobicContact CE1-CG1 3.74Å; F263-I275 HydrophobicContact CE2-CD1 3.88Å; F263-I275 HydrophobicContact CE2-CG1 4.4Å; F263-I275 HydrophobicContact CG-CG1 4.25Å; F263-I275 HydrophobicContact CZ-CD1 3.58Å; F263-I275 HydrophobicContact CZ-CG1 4.05Å; I275-M278 HydrophobicContact CG2-CE 4.28Å; I275-A279 WeakPolarHBondContact O-CB 3.38Å; I275-A279 PolarHBondContact O-N 3.25Å; I275-L314 HydrophobicContact CG1-CD1 4.42Å |
| 276 | S | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -51.7 | 178.8 | 51 | 0 | 0 | 0 | 0 | 112.3 | G274 M278 A279 C280 E317 | G274-S276 VanDerWaalsContact C-N 3.3Å; G274-S276 PolarHBondContact O-N 3.4Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 3.47Å; S276-A279 PolarHBondContact O-N 2.96Å; S276-C280 PolarHBondContact O-N 3.16Å; S276-E317 WeakPolarHBondContact CB-OE2 3.41Å; S276-E317 PolarHBondContact OG-OE2 2.76Å |
| 277 | K | 94.4 | Very high | 92.3 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -35.3 | 175.1 | -65.6 | 179.9 | -176 | 173.8 | 0 | 111.2 | L273 G274 S281 L321 | L273-K277 HydrophobicContact CB-CB 4.15Å; L273-K277 HydrophobicContact CD2-CB 4.28Å; L273-K277 HydrophobicContact CD2-CD 4.28Å; G274-K277 PolarHBondContact O-N 2.93Å; K277-S281 WeakPolarHBondContact O-CB 3.04Å; K277-S281 PolarHBondContact O-N 3.17Å; K277-L321 HydrophobicContact CG-CD1 4.19Å |
| 278 | M | 95.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 176.4 | -176.1 | 169.5 | 66.4 | 0 | 0 | 111.5 | T164 T166 T180 L182 G274 I275 S276 S281 S282 | T164-M278 HydrophobicContact CG2-CE 3.73Å; T166-M278 HydrophobicContact CG2-CE 3.68Å; T166-M278 HydrophobicContact CG2-CG 3.99Å; T166-M278 HydrophobicContact CG2-SD 4.48Å; T166-M278 PolarHBondContact OG1-O 3.31Å; T180-M278 WeakPolarHBondContact OG1-CG 3.17Å; L182-M278 HydrophobicContact CB-CE 4.05Å; L182-M278 HydrophobicContact CB-SD 3.78Å; G274-M278 VanDerWaalsContact O-CB 3.24Å; G274-M278 WeakPolarHBondContact O-CB 3.28Å; G274-M278 PolarHBondContact O-N 2.99Å; I275-M278 HydrophobicContact CG2-CE 4.28Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 3.47Å; M278-S281 PolarHBondContact O-N 3.41Å; M278-S282 WeakPolarHBondContact O-CB 2.81Å; M278-S282 PolarHBondContact O-N 2.83Å |
| 279 | A | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L155 V157 T166 I275 S276 S281 S282 I283 L318 | L155-A279 HydrophobicContact CD2-CB 3.67Å; V157-A279 HydrophobicContact CG2-CB 4.32Å; T166-A279 HydrophobicContact CG2-CB 4.13Å; I275-A279 WeakPolarHBondContact O-CB 3.38Å; I275-A279 PolarHBondContact O-N 3.25Å; S276-A279 PolarHBondContact O-N 2.96Å; A279-S281 PolarHBondContact O-N 3.19Å; A279-S282 WeakPolarHBondContact O-CB 3.12Å; A279-S282 PolarHBondContact O-N 3.42Å; A279-I283 WeakPolarHBondContact O-CG1 3.31Å; A279-I283 PolarHBondContact O-N 2.98Å; A279-L318 HydrophobicContact CB-CD2 4.15Å |
| 280 | C | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | S276 S282 I283 M284 L318 L321 | S276-C280 PolarHBondContact O-N 3.16Å; C280-S282 VanDerWaalsContact C-N 3.29Å; C280-S282 PolarHBondContact O-N 3.34Å; C280-I283 PolarHBondContact O-N 3.28Å; C280-M284 WeakPolarHBondContact O-CB 3.29Å; C280-M284 WeakPolarHBondContact O-CG 3.31Å; C280-M284 PolarHBondContact O-N 3.47Å; C280-L318 HydrophobicContact CB-CD2 4.22Å; C280-L321 HydrophobicContact CB-CB 4.31Å; C280-L321 HydrophobicContact CB-CD1 4.27Å |
| 281 | S | 95.2 | Very high | 93.6 | Very high | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.3 | -36.6 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | K277 M278 A279 K285 | K277-S281 WeakPolarHBondContact O-CB 3.04Å; K277-S281 PolarHBondContact O-N 3.17Å; M278-S281 PolarHBondContact O-N 3.41Å; A279-S281 PolarHBondContact O-N 3.19Å; S281-K285 VanDerWaalsContact O-CG 3.28Å; S281-K285 WeakPolarHBondContact O-CG 3.42Å; S281-K285 PolarHBondContact O-N 3.32Å |
| 282 | S | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | T166 P168 A178 M278 A279 C280 K285 C286 | T166-S282 VanDerWaalsContact OG1-CB 3.23Å; T166-S282 WeakPolarHBondContact OG1-CB 2.98Å; P168-S282 VanDerWaalsContact CD-OG 3.31Å; P168-S282 WeakPolarHBondContact CD-OG 3.46Å; P168-S282 WeakPolarHBondContact CG-OG 2.99Å; A178-S282 WeakPolarHBondContact O-CA 3.45Å; A178-S282 WeakPolarHBondContact O-CB 3.18Å; A178-S282 PolarHBondContact O-OG 3.27Å; M278-S282 WeakPolarHBondContact O-CB 2.81Å; M278-S282 PolarHBondContact O-N 2.83Å; A279-S282 WeakPolarHBondContact O-CB 3.12Å; A279-S282 PolarHBondContact O-N 3.42Å; C280-S282 VanDerWaalsContact C-N 3.29Å; C280-S282 PolarHBondContact O-N 3.34Å; S282-K285 PolarHBondContact O-N 3.06Å; S282-C286 PolarHBondContact O-SG 2.84Å |
| 283 | I | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 176.5 | -62.6 | 169.7 | 0 | 0 | 0 | 111.1 | L155 A279 C280 K285 C286 Q291 L294 F295 | L155-I283 HydrophobicContact CD1-CG1 4.27Å; L155-I283 HydrophobicContact CD2-CD1 3.87Å; L155-I283 HydrophobicContact CD2-CG1 4.01Å; L155-I283 HydrophobicContact CG-CG1 4.5Å; A279-I283 WeakPolarHBondContact O-CG1 3.31Å; A279-I283 PolarHBondContact O-N 2.98Å; C280-I283 PolarHBondContact O-N 3.28Å; I283-K285 PolarHBondContact O-N 3.41Å; I283-C286 WeakPolarHBondContact O-CB 3.15Å; I283-C286 PolarHBondContact O-N 2.93Å; I283-Q291 HydrophobicContact CG2-CB 3.82Å; I283-Q291 HydrophobicContact CG2-CG 3.88Å; I283-Q291 WeakPolarHBondContact O-CG 3.41Å; I283-L294 HydrophobicContact CD1-CB 4.31Å; I283-L294 HydrophobicContact CG1-CB 4.02Å; I283-L294 HydrophobicContact CG2-CB 4.16Å; I283-L294 HydrophobicContact CG2-CD1 4.41Å; I283-F295 HydrophobicContact CB-CE2 4.14Å; I283-F295 HydrophobicContact CB-CZ 4.16Å; I283-F295 HydrophobicContact CD1-CD1 3.56Å; I283-F295 HydrophobicContact CD1-CD2 4.17Å; I283-F295 HydrophobicContact CD1-CE1 3.54Å; I283-F295 HydrophobicContact CD1-CE2 4.16Å; I283-F295 HydrophobicContact CD1-CG 3.87Å; I283-F295 HydrophobicContact CD1-CZ 3.85Å; I283-F295 HydrophobicContact CG2-CD2 3.74Å; I283-F295 HydrophobicContact CG2-CE2 3.43Å; I283-F295 VanDerWaalsContact CG2-CE2 3.43Å; I283-F295 HydrophobicContact CG2-CG 4.48Å; I283-F295 HydrophobicContact CG2-CZ 3.96Å |
| 284 | M | 94.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.2 | -17.2 | -179 | -67 | -66.8 | 172.4 | 0 | 0 | 114 | C280 C286 F295 F323 | C280-M284 WeakPolarHBondContact O-CB 3.29Å; C280-M284 WeakPolarHBondContact O-CG 3.31Å; C280-M284 PolarHBondContact O-N 3.47Å; M284-C286 VanDerWaalsContact C-N 3.33Å; M284-F295 HydrophobicContact CE-CE2 4.21Å; M284-F295 HydrophobicContact CE-CZ 4.17Å; M284-F323 HydrophobicContact CE-CD2 4.03Å; M284-F323 HydrophobicContact CE-CE2 3.63Å; M284-F323 HydrophobicContact SD-CE2 4.1Å |
| 285 | K | 95.5 | Very high | 94.3 | Very high | 100 Ų | 100 | 45.9 Ų | 45.9 | 44% | 0.435 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -17.6 | 172 | -75.4 | 171.4 | -176.7 | -178.1 | 0 | 112.9 | A178 S281 S282 I283 | A178-K285 HydrophobicContact CB-CB 3.81Å; S281-K285 VanDerWaalsContact O-CG 3.28Å; S281-K285 WeakPolarHBondContact O-CG 3.42Å; S281-K285 PolarHBondContact O-N 3.32Å; S282-K285 PolarHBondContact O-N 3.06Å; I283-K285 PolarHBondContact O-N 3.41Å |
| 286 | C | 95.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.034 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -81.3 | 161.1 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | A178 S282 I283 M284 I290 Q291 L294 | A178-C286 VanDerWaalsContact CB-SG 3.52Å; S282-C286 PolarHBondContact O-SG 2.84Å; I283-C286 WeakPolarHBondContact O-CB 3.15Å; I283-C286 PolarHBondContact O-N 2.93Å; M284-C286 VanDerWaalsContact C-N 3.33Å; C286-I290 HydrophobicContact CB-CD1 3.68Å; C286-I290 HydrophobicContact CB-CG1 3.84Å; C286-Q291 PolarHBondContact O-NE2 3.44Å; C286-L294 HydrophobicContact CB-CD1 3.91Å |
| 287 | D | 93.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | trans | -60.5 | 141.1 | 176.3 | -63.4 | -31.7 | 0 | 0 | 0 | 111.6 | D289 I290 Q291 | D287-D289 PolarHBondContact O-N 2.55Å; D287-I290 HydrophobicContact CB-CG1 4.37Å; D287-I290 WeakPolarHBondContact O-CG1 3.47Å; D287-I290 PolarHBondContact O-N 2.79Å; D287-Q291 WeakPolarHBondContact O-CG 3.45Å; D287-Q291 PolarHBondContact O-N 2.91Å | ||
| 288 | T | 91.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 68% | 0.675 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -52.3 | -36.3 | -174.7 | -48.2 | 0 | 0 | 0 | 0 | 113.1 | I290 Q291 | T288-I290 VanDerWaalsContact C-N 3.25Å; T288-I290 PolarHBondContact O-N 2.78Å; T288-Q291 PolarHBondContact O-N 3.07Å |
| 289 | D | 92.2 | Very high | 94.4 | Very high | 149 Ų | 149 | 42.9 Ų | 42.9 | 80% | 0.797 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.3 | -28 | -177.7 | -61 | -19.6 | 0 | 0 | 0 | 113.1 | D287 | D287-D289 PolarHBondContact O-N 2.55Å |
| 290 | I | 93.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.4 | -13.9 | -178.7 | 64.5 | 166.9 | 0 | 0 | 0 | 112.9 | Y170 L175 C286 D287 T288 E292 T293 L294 | Y170-I290 HydrophobicContact CD2-CB 4.07Å; Y170-I290 HydrophobicContact CD2-CG2 3.65Å; Y170-I290 HydrophobicContact CE1-CG2 4.49Å; Y170-I290 HydrophobicContact CE2-CB 4.14Å; Y170-I290 HydrophobicContact CE2-CG2 3.37Å; Y170-I290 HydrophobicContact CG-CG2 4.34Å; L175-I290 HydrophobicContact CD1-CD1 3.49Å; L175-I290 VanDerWaalsContact CD1-CD1 3.49Å; C286-I290 HydrophobicContact CB-CD1 3.68Å; C286-I290 HydrophobicContact CB-CG1 3.84Å; D287-I290 HydrophobicContact CB-CG1 4.37Å; D287-I290 WeakPolarHBondContact O-CG1 3.47Å; D287-I290 PolarHBondContact O-N 2.79Å; T288-I290 VanDerWaalsContact C-N 3.25Å; T288-I290 PolarHBondContact O-N 2.78Å; I290-E292 PolarHBondContact O-N 3.47Å; I290-T293 PolarHBondContact O-N 3.33Å; I290-L294 HydrophobicContact CD1-CD1 4.2Å; I290-L294 HydrophobicContact CG1-CD1 4.28Å; I290-L294 WeakPolarHBondContact O-CG 3.42Å; I290-L294 PolarHBondContact O-N 3.44Å |
| 291 | Q | 94.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | -175.9 | -69.2 | -180 | 8 | 0 | 0 | 112.6 | I283 C286 D287 T288 T293 L294 F295 | I283-Q291 HydrophobicContact CG2-CB 3.82Å; I283-Q291 HydrophobicContact CG2-CG 3.88Å; I283-Q291 WeakPolarHBondContact O-CG 3.41Å; C286-Q291 PolarHBondContact O-NE2 3.44Å; D287-Q291 WeakPolarHBondContact O-CG 3.45Å; D287-Q291 PolarHBondContact O-N 2.91Å; T288-Q291 PolarHBondContact O-N 3.07Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; Q291-T293 PolarHBondContact O-N 3.44Å; Q291-L294 PolarHBondContact O-N 2.99Å; Q291-F295 VanDerWaalsContact O-CD2 3.28Å; Q291-F295 WeakPolarHBondContact O-CD2 3.28Å; Q291-F295 PolarHBondContact O-N 3.31Å |
| 292 | E | 92.3 | Very high | 94.2 | Very high | 125 Ų | 125 | 41 Ų | 41 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.5 | -41.3 | 179 | -172.2 | 178.6 | 179.3 | 0 | 0 | 111.4 | I290 F295 A296 | I290-E292 PolarHBondContact O-N 3.47Å; E292-F295 PolarHBondContact O-N 3.42Å; E292-A296 WeakPolarHBondContact O-CB 3.16Å; E292-A296 PolarHBondContact O-N 3.39Å |
| 293 | T | 93.5 | Very high | 94 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.5 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | T153 I290 Q291 A296 D297 | T153-T293 HydrophobicContact CG2-CG2 3.65Å; I290-T293 PolarHBondContact O-N 3.33Å; Q291-T293 VanDerWaalsContact C-N 3.31Å; Q291-T293 PolarHBondContact O-N 3.44Å; T293-A296 PolarHBondContact O-N 3.18Å; T293-D297 PolarHBondContact O-N 3.02Å; T293-D297 VanDerWaalsContact O-N 3.16Å |
| 294 | L | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | 178.2 | -66.9 | 174.6 | 0 | 0 | 0 | 112.7 | G154 P168 I283 C286 I290 Q291 D297 I298 | G154-L294 VanDerWaalsContact C-CD2 3.45Å; G154-L294 WeakPolarHBondContact O-CD2 3.17Å; P168-L294 HydrophobicContact CB-CD1 3.93Å; P168-L294 HydrophobicContact CB-CD2 4.21Å; I283-L294 HydrophobicContact CD1-CB 4.31Å; I283-L294 HydrophobicContact CG1-CB 4.02Å; I283-L294 HydrophobicContact CG2-CB 4.16Å; I283-L294 HydrophobicContact CG2-CD1 4.41Å; C286-L294 HydrophobicContact CB-CD1 3.91Å; I290-L294 HydrophobicContact CD1-CD1 4.2Å; I290-L294 HydrophobicContact CG1-CD1 4.28Å; I290-L294 WeakPolarHBondContact O-CG 3.42Å; I290-L294 PolarHBondContact O-N 3.44Å; Q291-L294 PolarHBondContact O-N 2.99Å; L294-D297 CarbonylContact O-C 3.6Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å |
| 295 | F | 94.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -36.7 | 172.1 | -83.3 | -65.7 | 0 | 0 | 0 | 112.2 | I283 M284 Q291 E292 D297 A322 T326 P327 I328 K329 | I283-F295 HydrophobicContact CB-CE2 4.14Å; I283-F295 HydrophobicContact CB-CZ 4.16Å; I283-F295 HydrophobicContact CD1-CD1 3.56Å; I283-F295 HydrophobicContact CD1-CD2 4.17Å; I283-F295 HydrophobicContact CD1-CE1 3.54Å; I283-F295 HydrophobicContact CD1-CE2 4.16Å; I283-F295 HydrophobicContact CD1-CG 3.87Å; I283-F295 HydrophobicContact CD1-CZ 3.85Å; I283-F295 HydrophobicContact CG2-CD2 3.74Å; I283-F295 HydrophobicContact CG2-CE2 3.43Å; I283-F295 VanDerWaalsContact CG2-CE2 3.43Å; I283-F295 HydrophobicContact CG2-CG 4.48Å; I283-F295 HydrophobicContact CG2-CZ 3.96Å; M284-F295 HydrophobicContact CE-CE2 4.21Å; M284-F295 HydrophobicContact CE-CZ 4.17Å; Q291-F295 VanDerWaalsContact O-CD2 3.28Å; Q291-F295 WeakPolarHBondContact O-CD2 3.28Å; Q291-F295 PolarHBondContact O-N 3.31Å; E292-F295 PolarHBondContact O-N 3.42Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.4Å; F295-A322 HydrophobicContact CD1-CB 4.41Å; F295-A322 HydrophobicContact CE1-CB 3.99Å; F295-A322 HydrophobicContact CZ-CB 4.11Å; F295-T326 HydrophobicContact CB-CG2 3.67Å; F295-T326 HydrophobicContact CD2-CG2 3.89Å; F295-T326 HydrophobicContact CG-CG2 3.91Å; F295-P327 CarbonylContact C-O 3.45Å; F295-I328 HydrophobicContact CB-CG1 4.45Å; F295-I328 HydrophobicContact CD1-CG1 4.23Å; F295-I328 WeakPolarHBondContact O-CA 3.25Å; F295-K329 PolarHBondContact O-N 2.74Å |
| 296 | A | 93.3 | Very high | 93.8 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -23.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | E292 T293 P327 K329 | E292-A296 WeakPolarHBondContact O-CB 3.16Å; E292-A296 PolarHBondContact O-N 3.39Å; T293-A296 PolarHBondContact O-N 3.18Å; A296-P327 WeakPolarHBondContact CA-O 3.31Å; A296-P327 PolarHBondContact N-O 2.88Å; A296-K329 VanDerWaalsContact O-CB 3.25Å; A296-K329 WeakPolarHBondContact O-CB 3.23Å |
| 297 | D | 94.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | trans | -134.2 | 84.7 | 178.8 | -75 | -53.8 | 0 | 0 | 0 | 111.5 | G154 L155 T293 L294 F295 K329 | G154-D297 CarbonylContact C-O 3.52Å; G154-D297 WeakPolarHBondContact CA-O 3.22Å; L155-D297 PolarHBondContact N-O 3.41Å; T293-D297 PolarHBondContact O-N 3.02Å; T293-D297 VanDerWaalsContact O-N 3.16Å; L294-D297 CarbonylContact O-C 3.6Å; F295-D297 VanDerWaalsContact C-N 3.29Å; F295-D297 PolarHBondContact O-N 3.4Å; D297-K329 IonicContact OD1-NZ 2.98Å; D297-K329 PolarHBondContact OD1-NZ 3.22Å | ||
| 298 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.6 | 171.3 | -56.4 | 177.9 | 0 | 0 | 0 | 109 | L155 V157 L294 L318 I328 K329 I330 T331 | L155-I298 HydrophobicContact CB-CG1 4.29Å; L155-I298 HydrophobicContact CD2-CG2 4.48Å; L155-I298 CarbonylContact O-C 3.46Å; L155-I298 VanDerWaalsContact O-CA 3.29Å; L155-I298 WeakPolarHBondContact O-CA 3.41Å; V157-I298 HydrophobicContact CG2-CG2 3.98Å; L294-I298 WeakPolarHBondContact O-CG1 3.3Å; I298-L318 HydrophobicContact CD1-CD1 3.5Å; I298-L318 VanDerWaalsContact CD1-CD1 3.5Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; I298-K329 PolarHBondContact N-O 2.83Å; I298-I330 HydrophobicContact CB-CG1 4.13Å; I298-I330 HydrophobicContact CD1-CG1 4.42Å; I298-I330 HydrophobicContact CG2-CG1 4.34Å; I298-I330 CarbonylContact O-C 3.16Å; I298-I330 WeakPolarHBondContact O-CA 3.32Å; I298-T331 PolarHBondContact O-N 3.41Å |
| 299 | V | 96.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.1 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | L146 S149 L155 V156 V157 | L146-V299 HydrophobicContact CD1-CB 4.45Å; L146-V299 HydrophobicContact CD1-CG2 3.82Å; S149-V299 WeakPolarHBondContact OG-CG1 3.18Å; L155-V299 PolarHBondContact O-N 2.81Å; V156-V299 WeakPolarHBondContact CA-O 3.4Å; V156-V299 HydrophobicContact CG2-CB 4.41Å; V157-V299 PolarHBondContact N-O 3.02Å |
| 300 | L | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 130 | 173.3 | -62.8 | -172.4 | 0 | 0 | 0 | 111 | V157 T305 L310 Q311 L314 I330 T331 A332 | V157-L300 HydrophobicContact CB-CD2 3.8Å; V157-L300 HydrophobicContact CG1-CD2 4.24Å; V157-L300 HydrophobicContact CG2-CD2 4.38Å; L300-T305 HydrophobicContact CB-CG2 4.47Å; L300-L310 HydrophobicContact CD1-CD2 3.97Å; L300-Q311 HydrophobicContact CD1-CB 4.02Å; L300-Q311 HydrophobicContact CD1-CG 4.44Å; L300-L314 HydrophobicContact CD2-CD2 3.77Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.2Å; L300-I330 HydrophobicContact CG-CG2 3.65Å; L300-T331 PolarHBondContact N-O 3.22Å; L300-A332 HydrophobicContact CB-CB 4.24Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.45Å |
| 301 | S | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 158.2 | 176.2 | -161.8 | 0 | 0 | 0 | 0 | 112.4 | A145 V157 D158 S159 T305 R336 S339 | A145-S301 WeakPolarHBondContact CB-OG 3.44Å; V157-S301 PolarHBondContact O-N 2.9Å; D158-S301 WeakPolarHBondContact CA-O 3.45Å; S159-S301 PolarHBondContact N-O 3.25Å; S301-T305 WeakPolarHBondContact O-CG2 3.29Å; S301-T305 PolarHBondContact O-OG1 3.29Å; S301-R336 PolarHBondContact OG-O 3.16Å; S301-S339 WeakPolarHBondContact OG-CB 3.03Å |
| 302 | G | 91.5 | Very high | 93 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 91.9 | 153.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S159 T304 T305 R336 | S159-G302 CarbonylContact O-C 3.56Å; S159-G302 VanDerWaalsContact O-CA 3.31Å; S159-G302 WeakPolarHBondContact O-CA 3.41Å; G302-T304 VanDerWaalsContact C-N 3.29Å; G302-T304 PolarHBondContact O-N 3.01Å; G302-T305 PolarHBondContact O-N 2.73Å; G302-T305 PolarHBondContact O-OG1 3.17Å; G302-R336 PolarHBondContact N-O 3.35Å |
| 303 | G | 91.2 | Very high | 93 | Very high | 38 Ų | 38 | 26 Ų | 26 | 39% | 0.392 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -64 | -29.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S159 T305 L306 | S159-G303 PolarHBondContact O-N 3.44Å; G303-T305 PolarHBondContact O-N 3.32Å; G303-L306 VanDerWaalsContact O-CB 3.25Å; G303-L306 WeakPolarHBondContact O-CB 3.29Å; G303-L306 WeakPolarHBondContact O-CG 3.4Å; G303-L306 PolarHBondContact O-N 3.02Å; G303-L306 VanDerWaalsContact O-N 3.16Å |
| 304 | T | 93.6 | Very high | 93 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -72.9 | -20.4 | -179.6 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | S159 G160 G186 I189 L262 G302 L306 F307 | S159-T304 VanDerWaalsContact O-CB 3.31Å; S159-T304 WeakPolarHBondContact O-CB 3.33Å; S159-T304 PolarHBondContact O-N 2.92Å; S159-T304 VanDerWaalsContact OG-CB 3.3Å; S159-T304 WeakPolarHBondContact OG-CB 3.28Å; S159-T304 WeakPolarHBondContact OG-CG2 3.5Å; G160-T304 PolarHBondContact O-OG1 2.73Å; G186-T304 WeakPolarHBondContact CA-OG1 3.44Å; G186-T304 PolarHBondContact N-OG1 3.41Å; I189-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD1-CG2 3.69Å; L262-T304 HydrophobicContact CD2-CG2 4.25Å; G302-T304 VanDerWaalsContact C-N 3.29Å; G302-T304 PolarHBondContact O-N 3.01Å; T304-L306 PolarHBondContact O-N 2.86Å; T304-F307 HydrophobicContact CG2-CD2 4.32Å; T304-F307 HydrophobicContact CG2-CE2 3.86Å; T304-F307 WeakPolarHBondContact O-CD2 3.22Å |
| 305 | T | 93.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -76.7 | -1.9 | 173.4 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | L300 S301 G302 G303 F307 R336 | L300-T305 HydrophobicContact CB-CG2 4.47Å; S301-T305 WeakPolarHBondContact O-CG2 3.29Å; S301-T305 PolarHBondContact O-OG1 3.29Å; G302-T305 PolarHBondContact O-N 2.73Å; G302-T305 PolarHBondContact O-OG1 3.17Å; G303-T305 PolarHBondContact O-N 3.32Å; T305-F307 PolarHBondContact O-N 3.28Å; T305-R336 PolarHBondContact O-NE 2.92Å; T305-R336 VanDerWaalsContact O-NE 3.09Å; T305-R336 PolarHBondContact O-NH2 3.17Å; T305-R336 VanDerWaalsContact OG1-CD 3.28Å; T305-R336 WeakPolarHBondContact OG1-CD 3.36Å; T305-R336 PolarHBondContact OG1-NE 3.23Å |
| 306 | L | 92.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 30.3 Ų | 30.3 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -75.2 | -10 | 177.9 | -68.8 | 171.6 | 0 | 0 | 0 | 113.6 | G303 T304 R336 C337 | G303-L306 VanDerWaalsContact O-CB 3.25Å; G303-L306 WeakPolarHBondContact O-CB 3.29Å; G303-L306 WeakPolarHBondContact O-CG 3.4Å; G303-L306 PolarHBondContact O-N 3.02Å; G303-L306 VanDerWaalsContact O-N 3.16Å; T304-L306 PolarHBondContact O-N 2.86Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.46Å; L306-C337 HydrophobicContact CD1-CB 4.02Å |
| 307 | F | 91.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -56.6 | 129.5 | 179.2 | -72.6 | -58.2 | 0 | 0 | 0 | 112 | I189 K217 C221 V223 P259 T304 T305 G309 L310 | I189-F307 HydrophobicContact CD1-CE2 3.86Å; I189-F307 HydrophobicContact CD1-CZ 4.46Å; I189-F307 HydrophobicContact CG2-CZ 4.2Å; K217-F307 HydrophobicContact CD-CZ 4.01Å; K217-F307 HydrophobicContact CG-CE1 3.82Å; K217-F307 HydrophobicContact CG-CZ 3.64Å; C221-F307 HydrophobicContact CB-CD1 4.15Å; C221-F307 HydrophobicContact CB-CE1 3.77Å; V223-F307 HydrophobicContact CG2-CB 4.08Å; P259-F307 HydrophobicContact CB-CD1 4.47Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE2 3.93Å; P259-F307 HydrophobicContact CB-CG 4.06Å; P259-F307 HydrophobicContact CB-CZ 4.39Å; P259-F307 HydrophobicContact CG-CD1 3.77Å; P259-F307 HydrophobicContact CG-CD2 3.88Å; P259-F307 HydrophobicContact CG-CE1 3.73Å; P259-F307 HydrophobicContact CG-CE2 3.82Å; P259-F307 HydrophobicContact CG-CG 3.87Å; P259-F307 HydrophobicContact CG-CZ 3.76Å; T304-F307 HydrophobicContact CG2-CD2 4.32Å; T304-F307 HydrophobicContact CG2-CE2 3.86Å; T304-F307 WeakPolarHBondContact O-CD2 3.22Å; T305-F307 PolarHBondContact O-N 3.28Å; F307-G309 PolarHBondContact O-N 2.97Å; F307-L310 HydrophobicContact CB-CB 4.28Å; F307-L310 HydrophobicContact CB-CD1 4.33Å; F307-L310 HydrophobicContact CD2-CD1 4.44Å; F307-L310 VanDerWaalsContact O-CB 3.28Å; F307-L310 WeakPolarHBondContact O-CB 3.44Å; F307-L310 PolarHBondContact O-N 3.27Å |
| 308 | P | 89.4 | Confident | 92.6 | Very high | 80 Ų | 80 | 29.4 Ų | 29.4 | 52% | 0.519 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 136.3 | 174.2 | -24.2 | 33.7 | 0 | 0 | 0 | 111.2 | V223 L310 | V223-P308 PolarHBondContact N-O 3.21Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.11Å |
| 309 | G | 88.4 | Confident | 92.3 | Very high | 26 Ų | 26 | 34.9 Ų | 34.9 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -7.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F307 R313 | F307-G309 PolarHBondContact O-N 2.97Å; G309-R313 VanDerWaalsContact O-CB 3.26Å; G309-R313 WeakPolarHBondContact O-CB 3.48Å; G309-R313 PolarHBondContact O-N 3.08Å |
| 310 | L | 91.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | -178.7 | -174.7 | 148.1 | 0 | 0 | 0 | 112.3 | V223 L262 F263 L300 F307 P308 D312 R313 L314 | V223-L310 HydrophobicContact CB-CB 4.41Å; V223-L310 HydrophobicContact CG2-CB 3.95Å; V223-L310 HydrophobicContact CG2-CD1 4.3Å; V223-L310 HydrophobicContact CG2-CG 4.39Å; L262-L310 HydrophobicContact CD1-CD1 4.02Å; F263-L310 HydrophobicContact CZ-CG 4.42Å; L300-L310 HydrophobicContact CD1-CD2 3.97Å; F307-L310 HydrophobicContact CB-CB 4.28Å; F307-L310 HydrophobicContact CB-CD1 4.33Å; F307-L310 HydrophobicContact CD2-CD1 4.44Å; F307-L310 VanDerWaalsContact O-CB 3.28Å; F307-L310 WeakPolarHBondContact O-CB 3.44Å; F307-L310 PolarHBondContact O-N 3.27Å; P308-L310 VanDerWaalsContact C-N 3.28Å; P308-L310 PolarHBondContact O-N 3.11Å; L310-D312 PolarHBondContact O-N 3.06Å; L310-R313 PolarHBondContact O-N 2.9Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 3Å |
| 311 | Q | 92.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 179.3 | 172.5 | 179 | -14.6 | 0 | 0 | 111.2 | L300 L314 L315 I330 | L300-Q311 HydrophobicContact CD1-CB 4.02Å; L300-Q311 HydrophobicContact CD1-CG 4.44Å; Q311-L314 PolarHBondContact O-N 2.88Å; Q311-L315 PolarHBondContact O-N 3.16Å; Q311-I330 HydrophobicContact CG-CB 4.3Å; Q311-I330 HydrophobicContact CG-CG2 3.93Å; Q311-I330 PolarHBondContact NE2-O 3.46Å |
| 312 | D | 91.4 | Very high | 91.4 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -73.2 | -35.6 | -174.3 | -51.9 | -49.7 | 0 | 0 | 0 | 112.4 | W225 L310 L314 L315 R316 | W225-D312 HydrophobicContact CE3-CB 3.9Å; W225-D312 HydrophobicContact CH2-CB 3.67Å; W225-D312 HydrophobicContact CZ3-CB 3.02Å; L310-D312 PolarHBondContact O-N 3.06Å; D312-L314 VanDerWaalsContact C-N 3.31Å; D312-L315 WeakPolarHBondContact O-CB 3.06Å; D312-L315 PolarHBondContact O-N 3.27Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 3.16Å; D312-R316 VanDerWaalsContact O-N 3.11Å |
| 313 | R | 91.5 | Very high | 90.9 | Very high | 29 Ų | 29 | 51 Ų | 51 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 172 | 175.3 | 59.6 | 178.7 | -78.7 | -12.2 | 110.7 | V223 S224 E260 F263 G309 L310 R316 E317 | V223-R313 HydrophobicContact CG1-CB 3.71Å; V223-R313 HydrophobicContact CG1-CG 3.73Å; S224-R313 PolarHBondContact O-NH1 2.79Å; E260-R313 IonicContact OE1-NH1 2.89Å; E260-R313 PolarHBondContact OE1-NH1 2.73Å; E260-R313 IonicContact OE2-CZ 2.63Å; E260-R313 IonicContact OE2-NH1 2.82Å; E260-R313 PolarHBondContact OE2-NH1 3.21Å; E260-R313 IonicContact OE2-NH2 2.78Å; E260-R313 PolarHBondContact OE2-NH2 2.49Å; F263-R313 HydrophobicContact CD1-CG 4.22Å; F263-R313 HydrophobicContact CD2-CG 4.48Å; F263-R313 HydrophobicContact CE1-CB 4.44Å; F263-R313 HydrophobicContact CE1-CG 3.63Å; F263-R313 HydrophobicContact CE2-CG 3.94Å; F263-R313 HydrophobicContact CZ-CB 3.97Å; F263-R313 HydrophobicContact CZ-CG 3.45Å; F263-R313 VanDerWaalsContact CZ-CG 3.45Å; G309-R313 VanDerWaalsContact O-CB 3.26Å; G309-R313 WeakPolarHBondContact O-CB 3.48Å; G309-R313 PolarHBondContact O-N 3.08Å; L310-R313 PolarHBondContact O-N 2.9Å; R313-R316 PolarHBondContact O-N 2.77Å; R313-E317 IonicContact CZ-OE1 3.33Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.25Å; R313-E317 IonicContact NH2-OE1 3.02Å; R313-E317 PolarHBondContact NH2-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.94Å; R313-E317 VanDerWaalsContact O-N 3.13Å |
| 314 | L | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.9 | -178.1 | 63.9 | 0 | 0 | 0 | 111.5 | F263 I275 L300 L310 Q311 D312 R316 E317 L318 I330 | F263-L314 HydrophobicContact CE1-CB 4.41Å; F263-L314 HydrophobicContact CE1-CD1 4.43Å; I275-L314 HydrophobicContact CG1-CD1 4.42Å; L300-L314 HydrophobicContact CD2-CD2 3.77Å; L310-L314 WeakPolarHBondContact O-CB 3.37Å; L310-L314 PolarHBondContact O-N 3Å; Q311-L314 PolarHBondContact O-N 2.88Å; D312-L314 VanDerWaalsContact C-N 3.31Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.44Å; L314-E317 PolarHBondContact O-N 3.36Å; L314-L318 HydrophobicContact CD1-CD1 4.08Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.15Å; L314-L318 PolarHBondContact O-N 2.99Å; L314-I330 HydrophobicContact CB-CD1 4.14Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.92Å |
| 315 | L | 93.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.1 | -51.2 | 177.5 | -176.4 | 61.4 | 0 | 0 | 0 | 111.2 | Q311 D312 L318 E319 I328 I330 | Q311-L315 PolarHBondContact O-N 3.16Å; D312-L315 WeakPolarHBondContact O-CB 3.06Å; D312-L315 PolarHBondContact O-N 3.27Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-E319 WeakPolarHBondContact O-CG 3.5Å; L315-E319 PolarHBondContact O-N 2.77Å; L315-I328 HydrophobicContact CD1-CB 4.02Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; L315-I330 HydrophobicContact CB-CD1 3.81Å; L315-I330 HydrophobicContact CD1-CD1 4.11Å; L315-I330 HydrophobicContact CD1-CG1 4.24Å |
| 316 | R | 90.6 | Very high | 89.3 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | -179.2 | -73.5 | 176 | 156.8 | -138.2 | -8.4 | 113.9 | W225 D312 R313 L314 L318 E319 V320 | W225-R316 VanDerWaalsContact CD1-NH1 3.26Å; D312-R316 WeakPolarHBondContact O-CG 3.44Å; D312-R316 PolarHBondContact O-N 3.16Å; D312-R316 VanDerWaalsContact O-N 3.11Å; R313-R316 PolarHBondContact O-N 2.77Å; L314-R316 VanDerWaalsContact C-N 3.34Å; L314-R316 PolarHBondContact O-N 3.44Å; R316-L318 PolarHBondContact O-N 3.08Å; R316-E319 PolarHBondContact O-N 2.87Å; R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 2.99Å; R316-V320 VanDerWaalsContact O-N 3.13Å |
| 317 | E | 91.8 | Very high | 89.2 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 177.4 | -73.3 | -165.1 | -168.7 | 0 | 0 | 111.1 | F263 S276 R313 L314 V320 L321 | F263-E317 WeakPolarHBondContact CD1-OE2 3.36Å; S276-E317 WeakPolarHBondContact CB-OE2 3.41Å; S276-E317 PolarHBondContact OG-OE2 2.76Å; R313-E317 IonicContact CZ-OE1 3.33Å; R313-E317 IonicContact NE-OE1 2.74Å; R313-E317 PolarHBondContact NE-OE1 3.25Å; R313-E317 IonicContact NH2-OE1 3.02Å; R313-E317 PolarHBondContact NH2-OE1 3.42Å; R313-E317 PolarHBondContact O-N 2.94Å; R313-E317 VanDerWaalsContact O-N 3.13Å; L314-E317 PolarHBondContact O-N 3.36Å; E317-V320 PolarHBondContact O-N 3.45Å; E317-L321 WeakPolarHBondContact O-CB 3.39Å; E317-L321 WeakPolarHBondContact O-CD1 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.08Å |
| 318 | L | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 173.9 | -69.2 | 175.8 | 0 | 0 | 0 | 112.5 | A279 C280 I298 L314 L315 R316 V320 L321 A322 I328 I330 | A279-L318 HydrophobicContact CB-CD2 4.15Å; C280-L318 HydrophobicContact CB-CD2 4.22Å; I298-L318 HydrophobicContact CD1-CD1 3.5Å; I298-L318 VanDerWaalsContact CD1-CD1 3.5Å; L314-L318 HydrophobicContact CD1-CD1 4.08Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.35Å; L314-L318 WeakPolarHBondContact O-CB 3.34Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.15Å; L314-L318 PolarHBondContact O-N 2.99Å; L315-L318 PolarHBondContact O-N 3.35Å; R316-L318 PolarHBondContact O-N 3.08Å; L318-V320 PolarHBondContact O-N 2.74Å; L318-L321 PolarHBondContact O-N 3.11Å; L318-L321 VanDerWaalsContact O-N 3.16Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.46Å; L318-I328 HydrophobicContact CB-CD1 3.99Å; L318-I328 HydrophobicContact CB-CG2 4.48Å; L318-I330 HydrophobicContact CD1-CD1 4.24Å |
| 319 | E | 91.5 | Very high | 89.6 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 173.6 | -74.6 | 171.8 | 166.3 | 0 | 0 | 112.3 | L315 R316 I328 | L315-E319 WeakPolarHBondContact O-CG 3.5Å; L315-E319 PolarHBondContact O-N 2.77Å; R316-E319 PolarHBondContact O-N 2.87Å; E319-I328 HydrophobicContact CB-CD1 4.39Å; E319-I328 HydrophobicContact CG-CD1 3.94Å |
| 320 | V | 90.9 | Very high | 89.9 | Confident | 126 Ų | 126 | 65.4 Ų | 65.4 | 76% | 0.764 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -75.3 | -32.7 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | R316 E317 L318 | R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 2.99Å; R316-V320 VanDerWaalsContact O-N 3.13Å; E317-V320 PolarHBondContact O-N 3.45Å; L318-V320 PolarHBondContact O-N 2.74Å |
| 321 | L | 89.1 | Confident | 90 | Very high | 70 Ų | 70 | 67.2 Ų | 67.2 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -88.3 | -25.7 | -176.8 | -69.6 | 172.7 | 0 | 0 | 0 | 113.6 | K277 C280 E317 L318 | K277-L321 HydrophobicContact CG-CD1 4.19Å; C280-L321 HydrophobicContact CB-CB 4.31Å; C280-L321 HydrophobicContact CB-CD1 4.27Å; E317-L321 WeakPolarHBondContact O-CB 3.39Å; E317-L321 WeakPolarHBondContact O-CD1 3.43Å; E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 3.08Å; E317-L321 VanDerWaalsContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.11Å; L318-L321 VanDerWaalsContact O-N 3.16Å |
| 322 | A | 87.2 | Confident | 90 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 11% | 0.107 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -80.2 | 163.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F295 L318 I328 | F295-A322 HydrophobicContact CD1-CB 4.41Å; F295-A322 HydrophobicContact CE1-CB 3.99Å; F295-A322 HydrophobicContact CZ-CB 4.11Å; L318-A322 WeakPolarHBondContact O-CB 3.47Å; L318-A322 PolarHBondContact O-N 3.46Å; A322-I328 HydrophobicContact CB-CD1 3.89Å |
| 323 | F | 81.1 | Confident | 90 | Very high | 142 Ų | 142 | 64 Ų | 64 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 139.6 | 173.6 | -68.1 | -84.1 | 0 | 0 | 0 | 110.5 | M284 G325 T326 | M284-F323 HydrophobicContact CE-CD2 4.03Å; M284-F323 HydrophobicContact CE-CE2 3.63Å; M284-F323 HydrophobicContact SD-CE2 4.1Å; F323-G325 PolarHBondContact O-N 3.43Å; F323-T326 WeakPolarHBondContact O-CB 3.02Å; F323-T326 PolarHBondContact O-N 3.24Å; F323-T326 VanDerWaalsContact O-N 3.08Å; F323-T326 PolarHBondContact O-OG1 3.25Å |
| 324 | E | 79.3 | Confident | 89.9 | Confident | 205 Ų | 205 | 67.4 Ų | 67.4 | 96% | 0.958 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 126.7 | 178.3 | -72.2 | -173.9 | 173.6 | 0 | 0 | 110.9 | ||
| 325 | G | 79.3 | Confident | 89.6 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 86% | 0.856 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -2.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F323 | F323-G325 PolarHBondContact O-N 3.43Š|
| 326 | T | 86.9 | Confident | 89.6 | Confident | 34 Ų | 34 | 71 Ų | 71 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -68.7 | 124.4 | 174.1 | -47.9 | 0 | 0 | 0 | 0 | 110.1 | F295 F323 I328 | F295-T326 HydrophobicContact CB-CG2 3.67Å; F295-T326 HydrophobicContact CD2-CG2 3.89Å; F295-T326 HydrophobicContact CG-CG2 3.91Å; F323-T326 WeakPolarHBondContact O-CB 3.02Å; F323-T326 PolarHBondContact O-N 3.24Å; F323-T326 VanDerWaalsContact O-N 3.08Å; F323-T326 PolarHBondContact O-OG1 3.25Å; T326-I328 PolarHBondContact O-N 2.89Å | ||
| 327 | P | 90 | Very high | 89.5 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | trans | -70.2 | 119 | 175.5 | 28.3 | -32.6 | 0 | 0 | 0 | 109.7 | F295 A296 | F295-P327 CarbonylContact C-O 3.45Å; A296-P327 WeakPolarHBondContact CA-O 3.31Å; A296-P327 PolarHBondContact N-O 2.88Å | ||
| 328 | I | 94.1 | Very high | 89.6 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | trans | -109.2 | 126.8 | 175.9 | -57.2 | 165.4 | 0 | 0 | 0 | 108.8 | F295 I298 L315 L318 E319 A322 T326 I330 | F295-I328 HydrophobicContact CB-CG1 4.45Å; F295-I328 HydrophobicContact CD1-CG1 4.23Å; F295-I328 WeakPolarHBondContact O-CA 3.25Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; L315-I328 HydrophobicContact CD1-CB 4.02Å; L315-I328 HydrophobicContact CD1-CG2 3.56Å; L318-I328 HydrophobicContact CB-CD1 3.99Å; L318-I328 HydrophobicContact CB-CG2 4.48Å; E319-I328 HydrophobicContact CB-CD1 4.39Å; E319-I328 HydrophobicContact CG-CD1 3.94Å; A322-I328 HydrophobicContact CB-CD1 3.89Å; T326-I328 PolarHBondContact O-N 2.89Å; I328-I330 HydrophobicContact CG2-CG1 4.39Å | ||
| 329 | K | 94.3 | Very high | 89.6 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 47% | 0.47 | 39% | 0.385 | S | S | . | . | trans | -134.1 | 125.6 | 172.4 | 154.9 | -170.7 | 169.9 | -129.5 | 0 | 109.8 | F295 A296 D297 I298 | F295-K329 PolarHBondContact O-N 2.74Å; A296-K329 VanDerWaalsContact O-CB 3.25Å; A296-K329 WeakPolarHBondContact O-CB 3.23Å; D297-K329 IonicContact OD1-NZ 2.98Å; D297-K329 PolarHBondContact OD1-NZ 3.22Å; I298-K329 PolarHBondContact N-O 2.83Å | ||
| 330 | I | 95.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 121.1 | 177.1 | -58.3 | 176.6 | 0 | 0 | 0 | 108.3 | I298 L300 Q311 L314 L315 L318 I328 | I298-I330 HydrophobicContact CB-CG1 4.13Å; I298-I330 HydrophobicContact CD1-CG1 4.42Å; I298-I330 HydrophobicContact CG2-CG1 4.34Å; I298-I330 CarbonylContact O-C 3.16Å; I298-I330 WeakPolarHBondContact O-CA 3.32Å; L300-I330 HydrophobicContact CD1-CG2 3.84Å; L300-I330 HydrophobicContact CD2-CG2 4.2Å; L300-I330 HydrophobicContact CG-CG2 3.65Å; Q311-I330 HydrophobicContact CG-CB 4.3Å; Q311-I330 HydrophobicContact CG-CG2 3.93Å; Q311-I330 PolarHBondContact NE2-O 3.46Å; L314-I330 HydrophobicContact CB-CD1 4.14Å; L314-I330 HydrophobicContact CD2-CD1 4.05Å; L314-I330 HydrophobicContact CG-CD1 3.92Å; L315-I330 HydrophobicContact CB-CD1 3.81Å; L315-I330 HydrophobicContact CD1-CD1 4.11Å; L315-I330 HydrophobicContact CD1-CG1 4.24Å; L318-I330 HydrophobicContact CD1-CD1 4.24Å; I328-I330 HydrophobicContact CG2-CG1 4.39Å |
| 331 | T | 93.9 | Very high | 89.9 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.3 | 176.1 | -54.9 | 0 | 0 | 0 | 0 | 108.9 | I298 L300 | I298-T331 PolarHBondContact O-N 3.41Å; L300-T331 PolarHBondContact N-O 3.22Å |
| 332 | A | 92.8 | Very high | 90.2 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | trans | -125 | 103.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L300 | L300-A332 HydrophobicContact CB-CB 4.24Å; L300-A332 HydrophobicContact CD1-CB 4.07Å; L300-A332 HydrophobicContact CG-CB 4.45Å | ||
| 333 | S | 91.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | trans | -67.5 | 145 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | D335 R336 | S333-D335 PolarHBondContact O-N 3.27Å; S333-D335 PolarHBondContact OG-N 3.21Å; S333-R336 VanDerWaalsContact O-CB 3.22Å; S333-R336 WeakPolarHBondContact O-CB 3.49Å; S333-R336 VanDerWaalsContact O-CD 3.31Å; S333-R336 WeakPolarHBondContact O-CD 3.39Å; S333-R336 WeakPolarHBondContact O-CG 3.44Å; S333-R336 PolarHBondContact O-N 3.47Å; S333-R336 PolarHBondContact O-NH1 3.46Å | ||
| 334 | P | 88.8 | Confident | 91.1 | Very high | 100 Ų | 100 | 49 Ų | 49 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.8 | 171.3 | 23.3 | -33.4 | 0 | 0 | 0 | 112 | R336 | P334-R336 PolarHBondContact O-N 2.98Š|
| 335 | D | 88.6 | Confident | 91.8 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 26.5 | -178.3 | -56.7 | -50.2 | 0 | 0 | 0 | 112.9 | S333 C337 Y338 I342 | S333-D335 PolarHBondContact O-N 3.27Å; S333-D335 PolarHBondContact OG-N 3.21Å; D335-C337 PolarHBondContact O-N 3.42Å; D335-C337 VanDerWaalsContact O-N 3.07Å; D335-Y338 PolarHBondContact O-N 3.29Å; D335-I342 HydrophobicContact CB-CD1 4.42Å |
| 336 | R | 92.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -11.9 | -173 | 63.8 | -174.1 | 172 | -89.6 | 7.8 | 115.6 | S301 G302 T305 L306 S333 P334 Y338 S339 | S301-R336 PolarHBondContact OG-O 3.16Å; G302-R336 PolarHBondContact N-O 3.35Å; T305-R336 PolarHBondContact O-NE 2.92Å; T305-R336 VanDerWaalsContact O-NE 3.09Å; T305-R336 PolarHBondContact O-NH2 3.17Å; T305-R336 VanDerWaalsContact OG1-CD 3.28Å; T305-R336 WeakPolarHBondContact OG1-CD 3.36Å; T305-R336 PolarHBondContact OG1-NE 3.23Å; L306-R336 HydrophobicContact CD2-CG 3.78Å; L306-R336 HydrophobicContact CG-CG 4.46Å; S333-R336 VanDerWaalsContact O-CB 3.22Å; S333-R336 WeakPolarHBondContact O-CB 3.49Å; S333-R336 VanDerWaalsContact O-CD 3.31Å; S333-R336 WeakPolarHBondContact O-CD 3.39Å; S333-R336 WeakPolarHBondContact O-CG 3.44Å; S333-R336 PolarHBondContact O-N 3.47Å; S333-R336 PolarHBondContact O-NH1 3.46Å; P334-R336 PolarHBondContact O-N 2.98Å; R336-Y338 PolarHBondContact O-N 2.87Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.22Å |
| 337 | C | 90 | Very high | 92.6 | Very high | 28 Ų | 28 | 38 Ų | 38 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.3 | 168.6 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | L306 D335 | L306-C337 HydrophobicContact CD1-CB 4.02Å; D335-C337 PolarHBondContact O-N 3.42Å; D335-C337 VanDerWaalsContact O-N 3.07Å |
| 338 | Y | 92.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -114.7 | 4.2 | 179.9 | -50.6 | -47.7 | 0 | 0 | 0 | 113.2 | K22 P31 V34 D335 R336 S340 W341 I342 | K22-Y338 HydrophobicContact CG-CD1 4.2Å; K22-Y338 HydrophobicContact CG-CE1 4.35Å; P31-Y338 HydrophobicContact CG-CD1 3.77Å; P31-Y338 HydrophobicContact CG-CE1 4.12Å; P31-Y338 HydrophobicContact CG-CG 4.01Å; V34-Y338 HydrophobicContact CG2-CE1 3.84Å; D335-Y338 PolarHBondContact O-N 3.29Å; R336-Y338 PolarHBondContact O-N 2.87Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 3.09Å; Y338-W341 WeakPolarHBondContact O-CB 3.32Å; Y338-W341 PolarHBondContact O-N 3.41Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.68Å |
| 339 | S | 93.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.6 | -43.6 | -176 | -72.2 | 0 | 0 | 0 | 0 | 113.6 | A148 S301 R336 W341 I342 G343 | A148-S339 VanDerWaalsContact CB-O 3.23Å; A148-S339 WeakPolarHBondContact CB-O 3.37Å; S301-S339 WeakPolarHBondContact OG-CB 3.03Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.22Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 3.43Å; S339-I342 PolarHBondContact O-N 3.24Å; S339-G343 PolarHBondContact O-N 2.81Å |
| 340 | S | 93.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | D15 Y338 G344 | D15-S340 PolarHBondContact OD1-OG 3.24Å; D15-S340 PolarHBondContact OD2-OG 3.39Å; D15-S340 VanDerWaalsContact OD2-OG 3.13Å; Y338-S340 VanDerWaalsContact C-N 3.32Å; Y338-S340 PolarHBondContact O-N 3.09Å; S340-G344 PolarHBondContact O-N 3.24Å; S340-G344 VanDerWaalsContact O-N 3.07Å |
| 341 | W | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.1 | -46.8 | 179 | -172.4 | 93.5 | 0 | 0 | 0 | 111.9 | I13 D15 E28 G30 P31 Y338 S339 G343 G344 S345 | I13-W341 HydrophobicContact CB-CZ2 4.29Å; I13-W341 HydrophobicContact CD1-CZ2 4.26Å; I13-W341 HydrophobicContact CG2-CD2 4.45Å; I13-W341 HydrophobicContact CG2-CG 4.13Å; I13-W341 PolarHBondContact O-NE1 3.01Å; D15-W341 HydrophobicContact CB-CB 4.1Å; E28-W341 HydrophobicContact CB-CH2 4.09Å; G30-W341 VanDerWaalsContact C-CH2 3.45Å; G30-W341 VanDerWaalsContact O-CH2 3.25Å; G30-W341 WeakPolarHBondContact O-CH2 3.39Å; G30-W341 WeakPolarHBondContact O-CZ3 3.43Å; P31-W341 HydrophobicContact CB-CD2 3.88Å; P31-W341 HydrophobicContact CB-CE3 4.33Å; P31-W341 HydrophobicContact CB-CG 4.16Å; P31-W341 HydrophobicContact CB-CZ2 4.48Å; P31-W341 HydrophobicContact CG-CD2 4.43Å; Y338-W341 WeakPolarHBondContact O-CB 3.32Å; Y338-W341 PolarHBondContact O-N 3.41Å; S339-W341 VanDerWaalsContact C-N 3.3Å; S339-W341 PolarHBondContact O-N 3.43Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.21Å; W341-G344 WeakPolarHBondContact O-CA 3.41Å; W341-G344 PolarHBondContact O-N 3.04Å; W341-G344 VanDerWaalsContact O-N 3.14Å; W341-S345 PolarHBondContact O-N 2.93Å |
| 342 | I | 94.5 | Very high | 91.4 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 21% | 0.205 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.2 | -66.7 | 168.3 | 0 | 0 | 0 | 110 | A148 D335 Y338 S339 G344 S345 V346 | A148-I342 HydrophobicContact CB-CB 4.18Å; A148-I342 HydrophobicContact CB-CG2 4.07Å; D335-I342 HydrophobicContact CB-CD1 4.42Å; Y338-I342 WeakPolarHBondContact O-CG1 3.22Å; Y338-I342 PolarHBondContact O-N 2.68Å; S339-I342 PolarHBondContact O-N 3.24Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 3.02Å; I342-S345 WeakPolarHBondContact O-CB 3.28Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.1Å; I342-V346 WeakPolarHBondContact O-CG2 3.47Å; I342-V346 PolarHBondContact O-N 2.74Å |
| 343 | G | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G144 S339 W341 S345 V346 M347 | G144-G343 VanDerWaalsContact O-CA 3.28Å; G144-G343 WeakPolarHBondContact O-CA 3.33Å; S339-G343 PolarHBondContact O-N 2.81Å; W341-G343 VanDerWaalsContact C-N 3.3Å; W341-G343 PolarHBondContact O-N 3.21Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.3Å; G343-V346 PolarHBondContact O-N 2.85Å; G343-M347 WeakPolarHBondContact O-CB 3.33Å; G343-M347 WeakPolarHBondContact O-CG 3.26Å; G343-M347 PolarHBondContact O-N 3.5Å |
| 344 | G | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F108 S340 W341 I342 V346 M347 T348 | F108-G344 VanDerWaalsContact CE1-CA 3.5Å; S340-G344 PolarHBondContact O-N 3.24Å; S340-G344 VanDerWaalsContact O-N 3.07Å; W341-G344 WeakPolarHBondContact O-CA 3.41Å; W341-G344 PolarHBondContact O-N 3.04Å; W341-G344 VanDerWaalsContact O-N 3.14Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 3.02Å; G344-V346 PolarHBondContact O-N 2.98Å; G344-M347 PolarHBondContact O-N 2.96Å; G344-T348 WeakPolarHBondContact O-CG2 3.25Å; G344-T348 PolarHBondContact O-N 3.48Å; G344-T348 PolarHBondContact O-OG1 3.49Å |
| 345 | S | 94.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | G27 E28 W341 I342 G343 T348 S349 | G27-S345 PolarHBondContact N-OG 3.35Å; E28-S345 PolarHBondContact O-OG 3.39Å; W341-S345 PolarHBondContact O-N 2.93Å; I342-S345 WeakPolarHBondContact O-CB 3.28Å; I342-S345 PolarHBondContact O-N 3.32Å; I342-S345 VanDerWaalsContact O-N 3.1Å; G343-S345 VanDerWaalsContact C-N 3.31Å; G343-S345 PolarHBondContact O-N 3.3Å; S345-T348 PolarHBondContact O-OG1 3.4Å; S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 3.36Å |
| 346 | V | 92.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 48 Ų | 48 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -49.3 | 174.3 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | I342 G343 G344 T348 S349 L350 | I342-V346 WeakPolarHBondContact O-CG2 3.47Å; I342-V346 PolarHBondContact O-N 2.74Å; G343-V346 PolarHBondContact O-N 2.85Å; G344-V346 PolarHBondContact O-N 2.98Å; V346-T348 PolarHBondContact O-N 2.74Å; V346-S349 PolarHBondContact O-N 2.87Å; V346-L350 WeakPolarHBondContact O-CG 3.26Å; V346-L350 PolarHBondContact O-N 2.95Å |
| 347 | M | 91.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 47 Ų | 47 | 11% | 0.108 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -49.7 | -178.6 | -72.5 | 175.3 | 73.1 | 0 | 0 | 112.2 | F108 C147 G343 G344 S349 L350 F353 | F108-M347 HydrophobicContact CZ-SD 4.33Å; C147-M347 HydrophobicContact CB-CG 4.22Å; C147-M347 HydrophobicContact CB-SD 4.3Å; C147-M347 VanDerWaalsContact SG-CG 3.52Å; G343-M347 WeakPolarHBondContact O-CB 3.33Å; G343-M347 WeakPolarHBondContact O-CG 3.26Å; G343-M347 PolarHBondContact O-N 3.5Å; G344-M347 PolarHBondContact O-N 2.96Å; M347-S349 PolarHBondContact O-N 3.22Å; M347-L350 WeakPolarHBondContact O-CB 3.3Å; M347-L350 PolarHBondContact O-N 3.27Å; M347-L350 VanDerWaalsContact O-N 3.11Å; M347-F353 HydrophobicContact CB-CD2 4.29Å; M347-F353 HydrophobicContact CB-CE2 4.31Å; M347-F353 HydrophobicContact CE-CD2 4.46Å; M347-F353 HydrophobicContact CE-CE2 3.91Å; M347-F353 WeakPolarHBondContact O-CB 3.4Å; M347-F353 VanDerWaalsContact O-CG 3.31Å; M347-F353 WeakPolarHBondContact O-CG 3.32Å |
| 348 | T | 92.1 | Very high | 91.1 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -22.2 | -178.2 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | A11 S26 F108 G344 S345 V346 L350 F353 W357 | A11-T348 HydrophobicContact CB-CG2 4.25Å; S26-T348 VanDerWaalsContact CB-OG1 3.31Å; S26-T348 WeakPolarHBondContact CB-OG1 3.49Å; S26-T348 WeakPolarHBondContact OG-CB 3.33Å; S26-T348 PolarHBondContact OG-OG1 3.13Å; F108-T348 HydrophobicContact CB-CG2 3.78Å; F108-T348 HydrophobicContact CD2-CG2 3.36Å; F108-T348 HydrophobicContact CE2-CG2 4.07Å; F108-T348 HydrophobicContact CG-CG2 3.78Å; G344-T348 WeakPolarHBondContact O-CG2 3.25Å; G344-T348 PolarHBondContact O-N 3.48Å; G344-T348 PolarHBondContact O-OG1 3.49Å; S345-T348 PolarHBondContact O-OG1 3.4Å; V346-T348 PolarHBondContact O-N 2.74Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-F353 HydrophobicContact CG2-CD1 4.17Å; T348-F353 HydrophobicContact CG2-CE1 3.76Å; T348-F353 HydrophobicContact CG2-CZ 4.38Å; T348-W357 HydrophobicContact CG2-CH2 3.94Å; T348-W357 HydrophobicContact CG2-CZ2 3.9Å |
| 349 | S | 89.9 | Confident | 91.1 | Very high | 68 Ų | 68 | 43 Ų | 43 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -79.5 | -13 | 176 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | S26 S345 V346 M347 | S26-S349 PolarHBondContact OG-OG 3.33Å; S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.11Å; S345-S349 PolarHBondContact O-OG 3.36Å; V346-S349 PolarHBondContact O-N 2.87Å; M347-S349 PolarHBondContact O-N 3.22Å |
| 350 | L | 88.3 | Confident | 91.1 | Very high | 88 Ų | 88 | 44 Ų | 44 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75.2 | 136.1 | 177.5 | -61.6 | 174.3 | 0 | 0 | 0 | 111.2 | V346 M347 T348 T352 F353 | V346-L350 WeakPolarHBondContact O-CG 3.26Å; V346-L350 PolarHBondContact O-N 2.95Å; M347-L350 WeakPolarHBondContact O-CB 3.3Å; M347-L350 PolarHBondContact O-N 3.27Å; M347-L350 VanDerWaalsContact O-N 3.11Å; T348-L350 VanDerWaalsContact C-N 3.32Å; L350-T352 VanDerWaalsContact C-N 3.26Å; L350-T352 PolarHBondContact O-N 3.13Å; L350-F353 HydrophobicContact CB-CB 4.27Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 3.3Å; L350-F353 VanDerWaalsContact O-N 3.12Å |
| 351 | T | 84.9 | Confident | 91 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 69% | 0.693 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -64 | -32.4 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | F353 K354 | T351-F353 VanDerWaalsContact C-N 3.26Å; T351-F353 PolarHBondContact O-N 2.89Å; T351-K354 PolarHBondContact O-N 2.79Å |
| 352 | T | 86.4 | Confident | 90.9 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -67.2 | -26.3 | 176.5 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | L350 K354 Q355 | L350-T352 VanDerWaalsContact C-N 3.26Å; L350-T352 PolarHBondContact O-N 3.13Å; T352-K354 PolarHBondContact O-N 2.92Å; T352-Q355 PolarHBondContact O-N 2.81Å |
| 353 | F | 87.3 | Confident | 90.8 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -68.1 | -18.8 | -178.8 | -167.2 | -98.7 | 0 | 0 | 0 | 113 | F108 Y137 M347 T348 L350 T351 Q355 M356 W357 | F108-F353 HydrophobicContact CD2-CE1 4.17Å; F108-F353 AromaticContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CD2-CZ 3.81Å; F108-F353 HydrophobicContact CE2-CE1 4.47Å; F108-F353 HydrophobicContact CE2-CE2 4.35Å; F108-F353 AromaticContact CE2-CZ 3.74Å; F108-F353 HydrophobicContact CE2-CZ 3.74Å; Y137-F353 HydrophobicContact CD1-CE2 4.15Å; Y137-F353 AromaticContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD1-CZ 3.54Å; Y137-F353 HydrophobicContact CD2-CE2 4.46Å; Y137-F353 AromaticContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CD2-CZ 3.96Å; Y137-F353 HydrophobicContact CE1-CE2 4Å; Y137-F353 AromaticContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE1-CZ 3.88Å; Y137-F353 HydrophobicContact CE2-CE2 4.35Å; Y137-F353 HydrophobicContact CE2-CZ 4.29Å; Y137-F353 HydrophobicContact CG-CE1 4.36Å; Y137-F353 HydrophobicContact CG-CE2 4.35Å; Y137-F353 AromaticContact CG-CZ 3.56Å; Y137-F353 HydrophobicContact CG-CZ 3.56Å; M347-F353 HydrophobicContact CB-CD2 4.29Å; M347-F353 HydrophobicContact CB-CE2 4.31Å; M347-F353 HydrophobicContact CE-CD2 4.46Å; M347-F353 HydrophobicContact CE-CE2 3.91Å; M347-F353 WeakPolarHBondContact O-CB 3.4Å; M347-F353 VanDerWaalsContact O-CG 3.31Å; M347-F353 WeakPolarHBondContact O-CG 3.32Å; T348-F353 HydrophobicContact CG2-CD1 4.17Å; T348-F353 HydrophobicContact CG2-CE1 3.76Å; T348-F353 HydrophobicContact CG2-CZ 4.38Å; L350-F353 HydrophobicContact CB-CB 4.27Å; L350-F353 WeakPolarHBondContact O-CB 3.49Å; L350-F353 PolarHBondContact O-N 3.3Å; L350-F353 VanDerWaalsContact O-N 3.12Å; T351-F353 VanDerWaalsContact C-N 3.26Å; T351-F353 PolarHBondContact O-N 2.89Å; F353-Q355 PolarHBondContact O-N 3.1Å; F353-M356 HydrophobicContact CD2-CB 4.1Å; F353-M356 HydrophobicContact CD2-CG 4.14Å; F353-M356 HydrophobicContact CE2-CB 4.04Å; F353-M356 HydrophobicContact CE2-CG 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.4Å; F353-M356 WeakPolarHBondContact O-CB 2.97Å; F353-M356 PolarHBondContact O-N 2.55Å; F353-W357 AromaticContact CD1-CE2 3.82Å; F353-W357 AromaticContact CD1-CZ2 3.98Å; F353-W357 HydrophobicContact CD1-CZ2 3.98Å; F353-W357 AromaticContact CD1-NE1 3.73Å; F353-W357 HydrophobicContact CE1-CD2 4.11Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.5Å; F353-W357 HydrophobicContact CE1-CH2 4.05Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.46Å; F353-W357 AromaticContact CE1-NE1 3.99Å |
| 354 | K | 86 | Confident | 90.8 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -56.6 | -26.7 | 178.9 | -68.6 | -175.9 | -177.5 | -179.4 | 0 | 113.7 | D8 T351 T352 | D8-K354 WeakPolarHBondContact OD1-CE 3.23Å; D8-K354 IonicContact OD1-NZ 3.48Å; D8-K354 PolarHBondContact OD1-NZ 3Å; T351-K354 PolarHBondContact O-N 2.79Å; T352-K354 PolarHBondContact O-N 2.92Å |
| 355 | Q | 86.4 | Confident | 90.9 | Very high | 173 Ų | 173 | 63.7 Ų | 63.7 | 81% | 0.808 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -82.2 | -17.5 | 179 | -62.1 | -179.9 | -1 | 0 | 0 | 113.3 | T352 F353 | T352-Q355 PolarHBondContact O-N 2.81Å; F353-Q355 PolarHBondContact O-N 3.1Å |
| 356 | M | 89.8 | Confident | 90.8 | Very high | 73 Ų | 73 | 68.6 Ų | 68.6 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.9 | -176 | -61.8 | -61.2 | -70.9 | 0 | 0 | 112.8 | Y137 F353 V358 | Y137-M356 HydrophobicContact CD2-CB 4.18Å; Y137-M356 WeakPolarHBondContact CD2-O 3.31Å; Y137-M356 HydrophobicContact CE2-CB 3.92Å; Y137-M356 HydrophobicContact CE2-CE 4.2Å; F353-M356 HydrophobicContact CD2-CB 4.1Å; F353-M356 HydrophobicContact CD2-CG 4.14Å; F353-M356 HydrophobicContact CE2-CB 4.04Å; F353-M356 HydrophobicContact CE2-CG 4.4Å; F353-M356 HydrophobicContact CZ-CB 4.4Å; F353-M356 WeakPolarHBondContact O-CB 2.97Å; F353-M356 PolarHBondContact O-N 2.55Å; M356-V358 PolarHBondContact O-N 2.77Å |
| 357 | W | 93 | Very high | 90.8 | Very high | 8 Ų | 8 | 66.8 Ų | 66.8 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 136.1 | 179.4 | -69.3 | 111.2 | 0 | 0 | 0 | 112.2 | L7 A11 P106 V107 F108 A135 T348 F353 K374 | L7-W357 HydrophobicContact CD2-CB 4.27Å; L7-W357 HydrophobicContact CD2-CD2 4.46Å; L7-W357 HydrophobicContact CD2-CG 3.93Å; A11-W357 HydrophobicContact CB-CH2 3.68Å; A11-W357 HydrophobicContact CB-CZ2 3.9Å; P106-W357 HydrophobicContact CB-CE3 4.43Å; P106-W357 HydrophobicContact CB-CH2 4Å; P106-W357 HydrophobicContact CB-CZ2 4.13Å; P106-W357 HydrophobicContact CB-CZ3 4.16Å; V107-W357 WeakPolarHBondContact O-CZ3 3.36Å; F108-W357 HydrophobicContact CB-CH2 4.06Å; F108-W357 HydrophobicContact CB-CZ3 4.45Å; A135-W357 HydrophobicContact CB-CB 4.09Å; A135-W357 HydrophobicContact CB-CD2 4.25Å; A135-W357 HydrophobicContact CB-CE3 4.06Å; A135-W357 HydrophobicContact CB-CG 4.29Å; T348-W357 HydrophobicContact CG2-CH2 3.94Å; T348-W357 HydrophobicContact CG2-CZ2 3.9Å; F353-W357 AromaticContact CD1-CE2 3.82Å; F353-W357 AromaticContact CD1-CZ2 3.98Å; F353-W357 HydrophobicContact CD1-CZ2 3.98Å; F353-W357 AromaticContact CD1-NE1 3.73Å; F353-W357 HydrophobicContact CE1-CD2 4.11Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.5Å; F353-W357 HydrophobicContact CE1-CH2 4.05Å; F353-W357 AromaticContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ2 3.61Å; F353-W357 HydrophobicContact CE1-CZ3 4.46Å; F353-W357 AromaticContact CE1-NE1 3.99Å; W357-K374 PolarHBondContact O-NZ 3.36Å |
| 358 | V | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119 | 159.9 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | F128 A135 L136 M356 D362 V370 K374 | F128-V358 HydrophobicContact CE2-CG1 3.9Å; F128-V358 HydrophobicContact CZ-CB 4.45Å; F128-V358 HydrophobicContact CZ-CG1 3.97Å; F128-V358 WeakPolarHBondContact CZ-O 3.4Å; A135-V358 CarbonylContact C-O 3.46Å; A135-V358 WeakPolarHBondContact CA-O 3.27Å; A135-V358 WeakPolarHBondContact CB-O 3.35Å; L136-V358 PolarHBondContact N-O 2.93Å; L136-V358 VanDerWaalsContact O-CB 3.32Å; L136-V358 WeakPolarHBondContact O-CB 3.39Å; L136-V358 PolarHBondContact O-N 3.09Å; M356-V358 PolarHBondContact O-N 2.77Å; V358-D362 HydrophobicContact CG1-CB 4.36Å; V358-V370 HydrophobicContact CG1-CG1 3.36Å; V358-V370 HydrophobicContact CG1-CG2 4.39Å; V358-K374 HydrophobicContact CG2-CB 3.91Å; V358-K374 HydrophobicContact CG2-CD 3.97Å |
| 359 | T | 94.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 70.3 Ų | 70.3 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 161 | 178.9 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | F2 E361 D362 F363 | F2-T359 HydrophobicContact CE1-CG2 3.89Å; F2-T359 HydrophobicContact CE2-CG2 4.24Å; F2-T359 HydrophobicContact CZ-CG2 3.64Å; T359-E361 PolarHBondContact O-N 3.26Å; T359-D362 PolarHBondContact N-OD2 2.89Å; T359-D362 WeakPolarHBondContact O-CB 3.31Å; T359-D362 PolarHBondContact O-N 3.35Å; T359-D362 VanDerWaalsContact O-N 3.15Å; T359-D362 PolarHBondContact OG1-N 2.94Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.4Å; T359-F363 PolarHBondContact O-N 2.89Å |
| 360 | A | 92.7 | Very high | 90.8 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -23 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | F128 P134 K364 | F128-A360 HydrophobicContact CD1-CB 3.95Å; F128-A360 HydrophobicContact CE1-CB 3.95Å; P134-A360 PolarHBondContact O-N 2.68Å; A360-K364 VanDerWaalsContact O-CG 3.28Å; A360-K364 WeakPolarHBondContact O-CG 3.49Å; A360-K364 PolarHBondContact O-N 2.84Å |
| 361 | E | 91.9 | Very high | 90.9 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74 | -45.7 | 172.8 | -67.5 | -175.1 | 169.1 | 0 | 0 | 110.8 | F2 T359 F363 K364 E365 | F2-E361 HydrophobicContact CB-CG 3.82Å; F2-E361 WeakPolarHBondContact CB-OE1 3.31Å; F2-E361 PolarHBondContact N-OE1 3.48Å; T359-E361 PolarHBondContact O-N 3.26Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 3.02Å; E361-K364 PolarHBondContact O-N 3.17Å; E361-K364 VanDerWaalsContact O-N 3.13Å; E361-E365 PolarHBondContact O-N 2.98Å; E361-E365 VanDerWaalsContact O-N 3.1Å |
| 362 | D | 91.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 173.9 | -62.7 | -47.3 | 0 | 0 | 0 | 111.6 | V358 T359 K364 E365 Y366 V370 K374 | V358-D362 HydrophobicContact CG1-CB 4.36Å; T359-D362 PolarHBondContact N-OD2 2.89Å; T359-D362 WeakPolarHBondContact O-CB 3.31Å; T359-D362 PolarHBondContact O-N 3.35Å; T359-D362 VanDerWaalsContact O-N 3.15Å; T359-D362 PolarHBondContact OG1-N 2.94Å; T359-D362 VanDerWaalsContact OG1-N 3.15Å; T359-D362 PolarHBondContact OG1-OD2 3.4Å; D362-K364 PolarHBondContact O-N 2.84Å; D362-E365 PolarHBondContact O-N 3.43Å; D362-Y366 WeakPolarHBondContact O-CD2 3.45Å; D362-Y366 PolarHBondContact O-N 3.19Å; D362-V370 HydrophobicContact CB-CG2 4.1Å; D362-K374 IonicContact OD1-NZ 2.85Å; D362-K374 IonicContact OD2-NZ 3.75Å; D362-K374 PolarHBondContact OD2-NZ 3.29Å |
| 363 | F | 93.9 | Very high | 91 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.2 | 177.8 | -100.5 | 0 | 0 | 0 | 112.5 | T124 F128 E129 T359 E361 E365 G367 A368 | T124-F363 HydrophobicContact CG2-CD2 3.79Å; T124-F363 HydrophobicContact CG2-CE2 3.97Å; F128-F363 HydrophobicContact CB-CD1 3.62Å; F128-F363 HydrophobicContact CB-CD2 4.41Å; F128-F363 HydrophobicContact CB-CE1 3.74Å; F128-F363 HydrophobicContact CB-CG 3.98Å; F128-F363 HydrophobicContact CB-CZ 4.2Å; F128-F363 HydrophobicContact CD1-CB 4.48Å; F128-F363 HydrophobicContact CD2-CB 3.76Å; F128-F363 HydrophobicContact CD2-CD1 4.11Å; F128-F363 AromaticContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CD2 3.59Å; F128-F363 HydrophobicContact CD2-CE2 4.19Å; F128-F363 AromaticContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CD2-CG 3.53Å; F128-F363 HydrophobicContact CE2-CB 3.93Å; F128-F363 HydrophobicContact CE2-CD2 4.23Å; F128-F363 HydrophobicContact CE2-CG 4.18Å; F128-F363 HydrophobicContact CG-CB 4.06Å; F128-F363 AromaticContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD1 3.94Å; F128-F363 HydrophobicContact CG-CD2 4.27Å; F128-F363 HydrophobicContact CG-CE1 4.49Å; F128-F363 AromaticContact CG-CG 3.82Å; F128-F363 HydrophobicContact CG-CG 3.82Å; F128-F363 HydrophobicContact CZ-CB 4.39Å; E129-F363 HydrophobicContact CG-CE1 4.02Å; E129-F363 HydrophobicContact CG-CZ 4.17Å; T359-F363 PolarHBondContact O-N 2.89Å; E361-F363 VanDerWaalsContact C-N 3.28Å; E361-F363 PolarHBondContact O-N 3.02Å; F363-E365 VanDerWaalsContact C-N 3.32Å; F363-E365 PolarHBondContact O-N 3.31Å; F363-G367 WeakPolarHBondContact O-CA 3.24Å; F363-G367 PolarHBondContact O-N 3.49Å; F363-A368 HydrophobicContact CE2-CB 3.99Å |
| 364 | K | 93.4 | Very high | 90.9 | Very high | 177 Ų | 177 | 63.8 Ų | 63.8 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.8 | -31.9 | 177.1 | -75.5 | 171.4 | -175.5 | 177.4 | 0 | 112.7 | A360 E361 D362 | A360-K364 VanDerWaalsContact O-CG 3.28Å; A360-K364 WeakPolarHBondContact O-CG 3.49Å; A360-K364 PolarHBondContact O-N 2.84Å; E361-K364 PolarHBondContact O-N 3.17Å; E361-K364 VanDerWaalsContact O-N 3.13Å; D362-K364 PolarHBondContact O-N 2.84Å |
| 365 | E | 94 | Very high | 90.7 | Very high | 132 Ų | 132 | 59.6 Ų | 59.6 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.5 | -44.9 | -179.1 | -171.5 | 179.9 | 164.5 | 0 | 0 | 112.3 | E361 D362 F363 | E361-E365 PolarHBondContact O-N 2.98Å; E361-E365 VanDerWaalsContact O-N 3.1Å; D362-E365 PolarHBondContact O-N 3.43Å; F363-E365 VanDerWaalsContact C-N 3.32Å; F363-E365 PolarHBondContact O-N 3.31Å |
| 366 | Y | 92.5 | Very high | 89.9 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -109.2 | -5.6 | -171.2 | -62.1 | -76.4 | 0 | 0 | 0 | 114.2 | D362 | D362-Y366 WeakPolarHBondContact O-CD2 3.45Å; D362-Y366 PolarHBondContact O-N 3.19Å |
| 367 | G | 93.2 | Very high | 89.9 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 30% | 0.299 | 27% | 0.272 | S | S | . | . | trans | 68.5 | -164.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | F363 F369 V370 | F363-G367 WeakPolarHBondContact O-CA 3.24Å; F363-G367 PolarHBondContact O-N 3.49Å; G367-F369 PolarHBondContact O-N 3.27Å; G367-V370 VanDerWaalsContact O-CG1 3.3Å; G367-V370 WeakPolarHBondContact O-CG1 3.41Å; G367-V370 PolarHBondContact O-N 3.1Å | ||
| 368 | A | 90.1 | Very high | 89.7 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E121 F363 V370 V371 | E121-A368 HydrophobicContact CB-CB 3.77Å; E121-A368 HydrophobicContact CG-CB 4.05Å; F363-A368 HydrophobicContact CE2-CB 3.99Å; A368-V370 PolarHBondContact O-N 3.06Å; A368-V370 VanDerWaalsContact O-N 3.1Å; A368-V371 WeakPolarHBondContact O-CG1 3.48Å; A368-V371 PolarHBondContact O-N 2.56Å |
| 369 | F | 91 | Very high | 89.4 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.3 | -178.8 | -177.4 | -105.9 | 0 | 0 | 0 | 113.6 | G367 V371 Q372 R373 | G367-F369 PolarHBondContact O-N 3.27Å; F369-V371 PolarHBondContact O-N 3Å; F369-V371 VanDerWaalsContact O-N 3.13Å; F369-Q372 HydrophobicContact CD2-CB 4.36Å; F369-Q372 HydrophobicContact CD2-CG 4.13Å; F369-Q372 HydrophobicContact CE2-CB 4.18Å; F369-Q372 HydrophobicContact CE2-CG 4.25Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 3.37Å; F369-R373 HydrophobicContact CE1-CG 4.09Å |
| 370 | V | 91.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -30.7 | -179.5 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | V358 D362 G367 A368 Q372 R373 K374 | V358-V370 HydrophobicContact CG1-CG1 3.36Å; V358-V370 HydrophobicContact CG1-CG2 4.39Å; D362-V370 HydrophobicContact CB-CG2 4.1Å; G367-V370 VanDerWaalsContact O-CG1 3.3Å; G367-V370 WeakPolarHBondContact O-CG1 3.41Å; G367-V370 PolarHBondContact O-N 3.1Å; A368-V370 PolarHBondContact O-N 3.06Å; A368-V370 VanDerWaalsContact O-N 3.1Å; V370-Q372 PolarHBondContact O-N 2.74Å; V370-R373 PolarHBondContact O-N 3.32Å; V370-K374 PolarHBondContact O-N 2.99Å; V370-K374 VanDerWaalsContact O-N 3.17Å |
| 371 | V | 90.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -32.6 | 178.7 | 77.3 | 0 | 0 | 0 | 0 | 111.6 | R120 L138 A368 F369 R373 C375 | R120-V371 HydrophobicContact CB-CG1 4.05Å; L138-V371 HydrophobicContact CB-CG2 4.31Å; L138-V371 HydrophobicContact CD1-CG2 3.61Å; L138-V371 HydrophobicContact CG-CG2 3.82Å; A368-V371 WeakPolarHBondContact O-CG1 3.48Å; A368-V371 PolarHBondContact O-N 2.56Å; F369-V371 PolarHBondContact O-N 3Å; F369-V371 VanDerWaalsContact O-N 3.13Å; V371-R373 PolarHBondContact O-N 2.89Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 VanDerWaalsContact O-CB 3.27Å; V371-C375 WeakPolarHBondContact O-CB 3.42Å; V371-C375 PolarHBondContact O-N 3.2Å |
| 372 | Q | 88.1 | Confident | 88.7 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.5 | -20.5 | 178.1 | -54.6 | -60.4 | -16.8 | 0 | 0 | 113 | R117 F369 V370 | R117-Q372 PolarHBondContact O-NE2 3.49Å; F369-Q372 HydrophobicContact CD2-CB 4.36Å; F369-Q372 HydrophobicContact CD2-CG 4.13Å; F369-Q372 HydrophobicContact CE2-CB 4.18Å; F369-Q372 HydrophobicContact CE2-CG 4.25Å; F369-Q372 WeakPolarHBondContact O-CB 3.47Å; F369-Q372 PolarHBondContact O-N 3.37Å; V370-Q372 PolarHBondContact O-N 2.74Å |
| 373 | R | 84.7 | Confident | 88.5 | Confident | 145 Ų | 145 | 70.3 Ų | 70.3 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -91.1 | -32.7 | 179.4 | -69.7 | -175.3 | 172.4 | 172.6 | 2.4 | 112.9 | F369 V370 V371 F376 | F369-R373 HydrophobicContact CE1-CG 4.09Å; V370-R373 PolarHBondContact O-N 3.32Å; V371-R373 PolarHBondContact O-N 2.89Å; R373-F376 VanDerWaalsContact O-CE2 3.27Å; R373-F376 WeakPolarHBondContact O-CE2 3.31Å; R373-F376 WeakPolarHBondContact O-CZ 3.43Å |
| 374 | K | 84.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 73.8 Ų | 73.8 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -100.4 | -26.9 | -175.3 | -76.6 | -170.3 | 167.1 | -173.9 | 0 | 113.6 | W357 V358 D362 V370 | W357-K374 PolarHBondContact O-NZ 3.36Å; V358-K374 HydrophobicContact CG2-CB 3.91Å; V358-K374 HydrophobicContact CG2-CD 3.97Å; D362-K374 IonicContact OD1-NZ 2.85Å; D362-K374 IonicContact OD2-NZ 3.75Å; D362-K374 PolarHBondContact OD2-NZ 3.29Å; V370-K374 PolarHBondContact O-N 2.99Å; V370-K374 VanDerWaalsContact O-N 3.17Å |
| 375 | C | 82.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -110.4 | 113.3 | -178.2 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | R120 Y137 L138 V371 | R120-C375 PolarHBondContact NH1-O 3.15Å; R120-C375 VanDerWaalsContact NH2-CB 3.29Å; R120-C375 PolarHBondContact NH2-O 3.15Å; Y137-C375 VanDerWaalsContact CD2-SG 3.56Å; Y137-C375 HydrophobicContact CE2-CB 4.47Å; L138-C375 HydrophobicContact CB-CB 4.29Å; L138-C375 PolarHBondContact N-SG 3.12Å; L138-C375 WeakPolarHBondContact O-CB 3.47Å; V371-C375 HydrophobicContact CG2-CB 4.09Å; V371-C375 VanDerWaalsContact O-CB 3.27Å; V371-C375 WeakPolarHBondContact O-CB 3.42Å; V371-C375 PolarHBondContact O-N 3.2Å | ||
| 376 | F | 68.9 | Low | 87.1 | Confident | 158 Ų | 158 | 59.2 Ų | 59.2 | 69% | 0.693 | 27% | 0.271 | S | S | * | . | trans | -105.1 | 0 | -176.7 | -64.5 | -76.6 | 0 | 0 | 0 | 113.3 | R373 | R373-F376 VanDerWaalsContact O-CE2 3.27Å; R373-F376 WeakPolarHBondContact O-CE2 3.31Å; R373-F376 WeakPolarHBondContact O-CZ 3.43Å |
Retrieved 376 of 376 residues in 200.1 ms
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