| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.2 | Low | 88.5 | Confident | 243 Ų | 243 | 69.1 Ų | 69.1 | 100% | 1.197 | 35% | 0.345 | S | S | * | . | 0 | 135.7 | 0 | -71.1 | 172.5 | -172.1 | 0 | 0 | 107.6 | S3 | M1-S3 PolarHBondContact O-N 2.85Š| |||
| 2 | K | 61.3 | Low | 89.3 | Confident | 203 Ų | 203 | 65.9 Ų | 65.9 | 88% | 0.883 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 131.2 | 173.7 | -72 | -176.1 | 178.8 | -179 | 0 | 108.2 | R4 | K2-R4 PolarHBondContact O-N 2.84Š|
| 3 | S | 85 | Confident | 89.9 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 85% | 0.853 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 134.3 | 171.6 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | M1 | M1-S3 PolarHBondContact O-N 2.85Š|
| 4 | R | 92.8 | Very high | 90.5 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 147.7 | 177.1 | -66.3 | -176.5 | -178.2 | -177.6 | 2.7 | 109.6 | K2 P6 M38 Q40 | K2-R4 PolarHBondContact O-N 2.84Å; R4-P6 WeakPolarHBondContact O-CD 3.48Å; R4-M38 CarbonylContact C-O 3.58Å; R4-M38 WeakPolarHBondContact CA-O 3.4Å; R4-Q40 HydrophobicContact CB-CB 3.93Å |
| 5 | I | 94.5 | Very high | 91 | Very high | 66 Ų | 66 | 56 Ų | 56 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 119.9 | 177.6 | -60.8 | 168.6 | 0 | 0 | 0 | 108.6 | M38 Y39 Q40 E129 | I5-M38 PolarHBondContact N-O 3.39Å; I5-Y39 HydrophobicContact CB-CD1 3.78Å; I5-Y39 HydrophobicContact CB-CE1 4.15Å; I5-Y39 HydrophobicContact CD1-CD1 4.42Å; I5-Y39 HydrophobicContact CD1-CE1 4.01Å; I5-Y39 HydrophobicContact CG2-CD1 4.05Å; I5-Y39 HydrophobicContact CG2-CE1 4.21Å; I5-Y39 CarbonylContact O-C 3.53Å; I5-Y39 WeakPolarHBondContact O-CA 3.49Å; I5-Q40 PolarHBondContact O-N 2.97Å; I5-E129 HydrophobicContact CG2-CB 4.45Å; I5-E129 HydrophobicContact CG2-CG 3.82Å |
| 6 | P | 96 | Very high | 91.4 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 137.1 | 175.1 | 20.8 | -23.7 | 0 | 0 | 0 | 110.8 | R4 Q40 I42 A126 P128 E129 | R4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-Q40 CarbonylContact C-O 3.6Å; P6-Q40 VanDerWaalsContact CA-O 3.29Å; P6-Q40 WeakPolarHBondContact CA-O 3.33Å; P6-I42 HydrophobicContact CB-CD1 3.95Å; P6-I42 HydrophobicContact CB-CG1 4.46Å; P6-I42 HydrophobicContact CB-CG2 4.27Å; P6-A126 WeakPolarHBondContact CG-O 3.43Å; P6-P128 HydrophobicContact CB-CB 4.08Å; P6-P128 HydrophobicContact CB-CG 4.19Å; P6-P128 HydrophobicContact CG-CB 4.36Å; P6-P128 HydrophobicContact CG-CG 4.32Å; P6-P128 CarbonylContact O-C 3.49Å; P6-P128 VanDerWaalsContact O-CA 3.28Å; P6-P128 WeakPolarHBondContact O-CA 3.46Å; P6-E129 PolarHBondContact O-N 3.22Å |
| 7 | V | 97.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.8 | -178.4 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | L9 L33 Y39 Q40 V41 I42 E129 K131 | V7-L9 HydrophobicContact CG1-CD2 4.11Å; V7-L33 HydrophobicContact CB-CD1 4.48Å; V7-L33 HydrophobicContact CG1-CD1 3.96Å; V7-Y39 HydrophobicContact CG2-CD1 3.39Å; V7-Y39 HydrophobicContact CG2-CE1 4.22Å; V7-Y39 HydrophobicContact CG2-CG 3.96Å; V7-Q40 PolarHBondContact N-O 3.11Å; V7-V41 HydrophobicContact CB-CG2 4.38Å; V7-V41 CarbonylContact O-C 3.53Å; V7-V41 VanDerWaalsContact O-CA 3.31Å; V7-V41 WeakPolarHBondContact O-CA 3.43Å; V7-I42 WeakPolarHBondContact O-CG1 3.39Å; V7-I42 PolarHBondContact O-N 3.14Å; V7-E129 CarbonylContact C-O 3.51Å; V7-E129 VanDerWaalsContact CA-O 3.3Å; V7-E129 WeakPolarHBondContact CA-O 3.4Å; V7-E129 HydrophobicContact CG2-CB 4.38Å; V7-K131 HydrophobicContact CG1-CB 4.41Å; V7-K131 HydrophobicContact CG1-CD 4.25Å; V7-K131 HydrophobicContact CG1-CG 4.04Å |
| 8 | V | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.9 | 166.2 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I42 Q43 I45 L104 P128 E129 L130 K131 | V8-I42 HydrophobicContact CG2-CD1 4.26Å; V8-I42 HydrophobicContact CG2-CG1 4.07Å; V8-Q43 WeakPolarHBondContact CA-O 3.47Å; V8-Q43 HydrophobicContact CG1-CB 4.29Å; V8-Q43 HydrophobicContact CG2-CB 4.28Å; V8-I45 HydrophobicContact CG1-CD1 3.68Å; V8-I45 HydrophobicContact CG1-CG1 4.03Å; V8-L104 HydrophobicContact CB-CD1 4Å; V8-L104 HydrophobicContact CG1-CD1 4.43Å; V8-L104 HydrophobicContact CG2-CD1 3.82Å; V8-L104 HydrophobicContact CG2-CD2 3.81Å; V8-L104 HydrophobicContact CG2-CG 4.49Å; V8-P128 HydrophobicContact CG2-CB 4.09Å; V8-E129 PolarHBondContact N-O 3.34Å; V8-L130 HydrophobicContact CB-CD1 3.87Å; V8-L130 HydrophobicContact CG1-CD1 3.76Å; V8-K131 PolarHBondContact O-N 3.35Å |
| 9 | L | 98.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124 | 176.1 | -65 | 179.3 | 0 | 0 | 0 | 110.2 | V7 F26 A29 L33 V41 Q43 G44 I45 W77 K131 L133 V163 | V7-L9 HydrophobicContact CG1-CD2 4.11Å; L9-F26 HydrophobicContact CB-CD1 4.3Å; L9-F26 HydrophobicContact CB-CE1 4.19Å; L9-A29 HydrophobicContact CD1-CB 3.75Å; L9-L33 HydrophobicContact CD2-CD1 3.87Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD1-CG2 4.35Å; L9-V41 HydrophobicContact CG-CG1 4.08Å; L9-Q43 PolarHBondContact N-O 2.82Å; L9-G44 CarbonylContact O-C 3.55Å; L9-G44 WeakPolarHBondContact O-CA 3.49Å; L9-I45 PolarHBondContact O-N 3.41Å; L9-W77 HydrophobicContact CD1-CH2 4.18Å; L9-W77 HydrophobicContact CD1-CZ3 4.31Å; L9-K131 HydrophobicContact CD2-CB 4.23Å; L9-L133 HydrophobicContact CB-CB 4.4Å; L9-V163 HydrophobicContact CD2-CB 4.47Å; L9-V163 HydrophobicContact CD2-CG2 3.88Å |
| 10 | L | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.7 | 174.9 | 175.6 | 67.6 | 0 | 0 | 0 | 110.3 | I45 V96 L97 L130 K131 L132 L133 | L10-I45 WeakPolarHBondContact CA-O 3.49Å; L10-I45 HydrophobicContact CD1-CB 3.82Å; L10-I45 HydrophobicContact CD1-CG2 3.62Å; L10-V96 HydrophobicContact CD2-CG1 4.17Å; L10-L97 HydrophobicContact CB-CD2 4.48Å; L10-L97 HydrophobicContact CD2-CD2 3.69Å; L10-L97 HydrophobicContact CD2-CG 3.99Å; L10-L130 HydrophobicContact CB-CD1 4.01Å; L10-K131 PolarHBondContact N-O 2.88Å; L10-L132 CarbonylContact O-C 3.48Å; L10-L133 PolarHBondContact O-N 2.61Å |
| 11 | A | 98.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 43 Ų | 43 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 107.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F15 F26 I45 S47 L133 | A11-F15 HydrophobicContact CB-CZ 4.17Å; A11-F15 WeakPolarHBondContact O-CZ 3.45Å; A11-F26 HydrophobicContact CB-CE1 4.45Å; A11-F26 HydrophobicContact CB-CE2 3.66Å; A11-F26 HydrophobicContact CB-CZ 3.43Å; A11-F26 VanDerWaalsContact CB-CZ 3.43Å; A11-I45 PolarHBondContact N-O 3.5Å; A11-S47 PolarHBondContact O-N 3.11Å; A11-L133 HydrophobicContact CB-CB 4.32Å; A11-L133 HydrophobicContact CB-CD2 4.42Å; A11-L133 HydrophobicContact CB-CG 4.46Å |
| 12 | C | 98.6 | Very high | 95 | Very high | 31 Ų | 31 | 33.1 Ų | 33.1 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142 | 168.2 | -68.6 | 0 | 0 | 0 | 0 | 110.1 | S47 T93 | C12-S47 WeakPolarHBondContact CA-O 3.34Å; C12-T93 HydrophobicContact CB-CG2 4.19Å |
| 13 | G | 97.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 25 Ų | 25 | 26% | 0.258 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F15 S47 P48 V49 | G13-F15 WeakPolarHBondContact O-CD2 3.42Å; G13-S47 PolarHBondContact N-O 3.25Å; G13-P48 WeakPolarHBondContact O-CA 3.44Å; G13-V49 PolarHBondContact O-N 3.39Å |
| 14 | S | 97.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 23.2 Ų | 23.2 | 12% | 0.119 | 12% | 0.117 | C | C | . | . | trans | -67.2 | -42.8 | 178.6 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | N16 K55 R64 | S14-N16 PolarHBondContact O-N 3.23Å; S14-K55 WeakPolarHBondContact OG-CD 3.49Å; S14-K55 PolarHBondContact OG-NZ 3.02Å; S14-K55 VanDerWaalsContact OG-NZ 3.16Å; S14-R64 VanDerWaalsContact O-CD 3.29Å; S14-R64 WeakPolarHBondContact O-CD 3.42Å; S14-R64 PolarHBondContact O-NH1 2.89Å | ||
| 15 | F | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | trans | 47 | 56 | -170.6 | -53.6 | -78.4 | 0 | 0 | 0 | 112.4 | A11 G13 P17 I18 H22 I46 P48 | A11-F15 HydrophobicContact CB-CZ 4.17Å; A11-F15 WeakPolarHBondContact O-CZ 3.45Å; G13-F15 WeakPolarHBondContact O-CD2 3.42Å; F15-P17 VanDerWaalsContact C-CA 3.47Å; F15-P17 CarbonylContact C-O 3.56Å; F15-P17 CarbonylContact O-C 3.59Å; F15-P17 VanDerWaalsContact O-CA 3.32Å; F15-P17 WeakPolarHBondContact O-CA 3.48Å; F15-I18 HydrophobicContact CB-CB 4.31Å; F15-I18 HydrophobicContact CD1-CB 4.41Å; F15-I18 HydrophobicContact CD1-CD1 4.35Å; F15-I18 HydrophobicContact CD1-CG1 4.13Å; F15-I18 PolarHBondContact O-N 3.01Å; F15-H22 HydrophobicContact CD1-CB 4.29Å; F15-H22 AromaticContact CD1-CD2 3.82Å; F15-H22 AromaticContact CD1-CG 3.98Å; F15-H22 HydrophobicContact CE1-CB 4.11Å; F15-H22 AromaticContact CE1-CD2 3.71Å; F15-I46 HydrophobicContact CD1-CG2 4.12Å; F15-I46 HydrophobicContact CD2-CG2 3.86Å; F15-I46 HydrophobicContact CE1-CD1 4.34Å; F15-I46 HydrophobicContact CE1-CG1 4.46Å; F15-I46 HydrophobicContact CE1-CG2 3.91Å; F15-I46 HydrophobicContact CE2-CG2 3.65Å; F15-I46 HydrophobicContact CG-CG2 4.1Å; F15-I46 HydrophobicContact CZ-CB 4.46Å; F15-I46 HydrophobicContact CZ-CG1 4.45Å; F15-I46 HydrophobicContact CZ-CG2 3.68Å; F15-P48 HydrophobicContact CD2-CB 4.3Å; F15-P48 HydrophobicContact CD2-CG 4.25Å | ||
| 16 | N | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 69.7 | -168.6 | -174.5 | 47 | 0 | 0 | 0 | 113.4 | S14 D57 L58 A59 R206 Y233 | S14-N16 PolarHBondContact O-N 3.23Å; N16-D57 PolarHBondContact ND2-O 2.95Å; N16-L58 HydrophobicContact CB-CD1 4Å; N16-L58 WeakPolarHBondContact ND2-CA 3.24Å; N16-A59 VanDerWaalsContact OD1-CB 3.26Å; N16-A59 WeakPolarHBondContact OD1-CB 3.47Å; N16-A59 PolarHBondContact OD1-N 3.26Å; N16-R206 VanDerWaalsContact O-CD 3.32Å; N16-R206 WeakPolarHBondContact O-CD 3.44Å; N16-R206 PolarHBondContact O-NH1 3.36Å; N16-Y233 VanDerWaalsContact C-OH 3.31Å; N16-Y233 VanDerWaalsContact OD1-CE1 3.26Å; N16-Y233 WeakPolarHBondContact OD1-CE1 3.32Å; N16-Y233 PolarHBondContact OD1-OH 2.85Å |
| 17 | P | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.4 | 175 | -6.1 | 35.2 | -35.5 | 0 | 0 | 0 | 112 | F15 M67 I205 I219 V223 I227 Y233 | F15-P17 VanDerWaalsContact C-CA 3.47Å; F15-P17 CarbonylContact C-O 3.56Å; F15-P17 CarbonylContact O-C 3.59Å; F15-P17 VanDerWaalsContact O-CA 3.32Å; F15-P17 WeakPolarHBondContact O-CA 3.48Å; P17-M67 HydrophobicContact CB-CE 3.96Å; P17-M67 HydrophobicContact CB-SD 3.73Å; P17-I205 HydrophobicContact CG-CB 4.41Å; P17-I205 HydrophobicContact CG-CG2 3.6Å; P17-I219 HydrophobicContact CG-CD1 4.49Å; P17-V223 HydrophobicContact CB-CG1 4.32Å; P17-I227 HydrophobicContact CB-CD1 4.04Å; P17-I227 HydrophobicContact CG-CD1 3.99Å; P17-Y233 HydrophobicContact CB-CE2 4Å; P17-Y233 HydrophobicContact CG-CE2 4.06Å |
| 18 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -60 | 149.8 | 163 | -168.1 | 165 | 0 | 0 | 0 | 110.1 | F15 H22 L23 I46 M67 A68 A71 V223 | F15-I18 HydrophobicContact CB-CB 4.31Å; F15-I18 HydrophobicContact CD1-CB 4.41Å; F15-I18 HydrophobicContact CD1-CD1 4.35Å; F15-I18 HydrophobicContact CD1-CG1 4.13Å; F15-I18 PolarHBondContact O-N 3.01Å; I18-H22 HydrophobicContact CG1-CB 4.02Å; I18-L23 HydrophobicContact CD1-CD2 3.92Å; I18-I46 HydrophobicContact CD1-CD1 3.47Å; I18-I46 VanDerWaalsContact CD1-CD1 3.47Å; I18-M67 HydrophobicContact CG2-CB 4.34Å; I18-A68 HydrophobicContact CD1-CB 4.19Å; I18-A71 HydrophobicContact CD1-CB 3.95Å; I18-A71 HydrophobicContact CG1-CB 4.46Å; I18-A71 HydrophobicContact CG2-CB 3.7Å; I18-V223 HydrophobicContact CG2-CG1 4.38Å; I18-V223 HydrophobicContact CG2-CG2 3.99Å | ||
| 19 | T | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -135.9 | 165.2 | -177.2 | 72.1 | 0 | 0 | 0 | 0 | 110.8 | M21 H22 L23 I200 A202 I205 I219 | T19-M21 PolarHBondContact O-N 3.13Å; T19-M21 PolarHBondContact OG1-N 3.18Å; T19-H22 PolarHBondContact N-ND1 3.32Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.01Å; T19-H22 PolarHBondContact OG1-CE1 3.37Å; T19-H22 PolarHBondContact OG1-ND1 2.92Å; T19-L23 PolarHBondContact O-N 3.23Å; T19-I200 HydrophobicContact CG2-CG2 4.21Å; T19-A202 HydrophobicContact CG2-CB 4.38Å; T19-I205 HydrophobicContact CG2-CG1 3.9Å; T19-I219 HydrophobicContact CG2-CG2 3.83Å | ||
| 20 | N | 96.9 | Very high | 97.6 | Very high | 48 Ų | 48 | 20.8 Ų | 20.8 | 26% | 0.257 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -59.8 | -26.8 | 175.4 | -70.5 | -9.1 | 0 | 0 | 0 | 112.3 | L23 R24 Y217 L218 P220 | N20-L23 PolarHBondContact O-N 3.18Å; N20-R24 VanDerWaalsContact O-CB 3.31Å; N20-R24 WeakPolarHBondContact O-CB 3.42Å; N20-R24 PolarHBondContact O-N 2.97Å; N20-Y217 PolarHBondContact ND2-O 3.15Å; N20-L218 WeakPolarHBondContact CB-O 3.22Å; N20-L218 PolarHBondContact N-O 3.37Å; N20-P220 VanDerWaalsContact OD1-CD 3.26Å; N20-P220 WeakPolarHBondContact OD1-CD 3.19Å |
| 21 | M | 93.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 173.5 | -170.8 | -175 | -162.7 | 0 | 0 | 112 | T19 L23 R24 L25 R167 N198 I200 | T19-M21 PolarHBondContact O-N 3.13Å; T19-M21 PolarHBondContact OG1-N 3.18Å; M21-L23 VanDerWaalsContact C-N 3.31Å; M21-L23 PolarHBondContact O-N 3.13Å; M21-R24 PolarHBondContact O-N 3.13Å; M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.1Å; M21-R167 HydrophobicContact CE-CG 3.95Å; M21-R167 PolarHBondContact SD-NH1 3.36Å; M21-R167 PolarHBondContact SD-NH2 2.98Å; M21-R167 VanDerWaalsContact SD-NH2 3.4Å; M21-N198 WeakPolarHBondContact CE-O 3.43Å; M21-N198 WeakPolarHBondContact CG-O 3.49Å; M21-I200 HydrophobicContact CB-CB 4.22Å |
| 22 | H | 97 | Very high | 97.5 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.4 | -62.1 | 100.5 | 0 | 0 | 0 | 111.4 | F15 I18 T19 L25 F26 | F15-H22 HydrophobicContact CD1-CB 4.29Å; F15-H22 AromaticContact CD1-CD2 3.82Å; F15-H22 AromaticContact CD1-CG 3.98Å; F15-H22 HydrophobicContact CE1-CB 4.11Å; F15-H22 AromaticContact CE1-CD2 3.71Å; I18-H22 HydrophobicContact CG1-CB 4.02Å; T19-H22 PolarHBondContact N-ND1 3.32Å; T19-H22 WeakPolarHBondContact O-CB 3.38Å; T19-H22 PolarHBondContact O-N 3.01Å; T19-H22 PolarHBondContact OG1-CE1 3.37Å; T19-H22 PolarHBondContact OG1-ND1 2.92Å; H22-L25 WeakPolarHBondContact O-CB 3.35Å; H22-L25 PolarHBondContact O-N 3.4Å; H22-F26 WeakPolarHBondContact O-CD2 3.5Å |
| 23 | L | 97.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 17% | 0.173 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.3 | -58.4 | 178.2 | 0 | 0 | 0 | 111 | I18 T19 N20 M21 L25 F26 E27 I46 A71 L72 P220 | I18-L23 HydrophobicContact CD1-CD2 3.92Å; T19-L23 PolarHBondContact O-N 3.23Å; N20-L23 PolarHBondContact O-N 3.18Å; M21-L23 VanDerWaalsContact C-N 3.31Å; M21-L23 PolarHBondContact O-N 3.13Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.37Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 2.95Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-E27 PolarHBondContact O-N 2.92Å; L23-I46 HydrophobicContact CD2-CD1 4.45Å; L23-A71 HydrophobicContact CD1-CB 4.46Å; L23-L72 HydrophobicContact CD2-CD2 3.64Å; L23-P220 HydrophobicContact CD1-CG 3.85Å |
| 24 | R | 96.2 | Very high | 97.5 | Very high | 84 Ų | 84 | 26 Ų | 26 | 32% | 0.317 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.1 | -35.1 | 178.2 | -175.9 | 60.2 | -179.1 | 153.7 | 11.8 | 112.7 | N20 M21 F26 E27 V28 E194 | N20-R24 VanDerWaalsContact O-CB 3.31Å; N20-R24 WeakPolarHBondContact O-CB 3.42Å; N20-R24 PolarHBondContact O-N 2.97Å; M21-R24 PolarHBondContact O-N 3.13Å; R24-F26 PolarHBondContact O-N 3.18Å; R24-E27 PolarHBondContact O-N 2.93Å; R24-V28 HydrophobicContact CG-CG2 4.03Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.03Å; R24-E194 IonicContact CZ-OE1 3.71Å; R24-E194 IonicContact CZ-OE2 2.68Å; R24-E194 IonicContact NE-OE1 2.85Å; R24-E194 PolarHBondContact NE-OE1 3.05Å; R24-E194 IonicContact NE-OE2 3.53Å; R24-E194 PolarHBondContact NE-OE2 3.08Å; R24-E194 IonicContact NH2-OE1 3.5Å; R24-E194 PolarHBondContact NH2-OE1 3.47Å; R24-E194 IonicContact NH2-OE2 3.68Å; R24-E194 PolarHBondContact NH2-OE2 2.96Å |
| 25 | L | 95.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.5 | -42.2 | 176 | -71.5 | 173.4 | 0 | 0 | 0 | 112.1 | M21 H22 L23 A29 L133 V165 | M21-L25 WeakPolarHBondContact O-CG 3.35Å; M21-L25 PolarHBondContact O-N 3.1Å; H22-L25 WeakPolarHBondContact O-CB 3.35Å; H22-L25 PolarHBondContact O-N 3.4Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.37Å; L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.25Å; L25-A29 PolarHBondContact O-N 3.42Å; L25-L133 HydrophobicContact CB-CD2 4.28Å; L25-V165 HydrophobicContact CB-CG2 4.47Å; L25-V165 HydrophobicContact CD2-CB 3.42Å; L25-V165 VanDerWaalsContact CD2-CB 3.42Å; L25-V165 HydrophobicContact CD2-CG1 3.83Å; L25-V165 HydrophobicContact CD2-CG2 3.69Å |
| 26 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 179.7 | -81.8 | -89.3 | 0 | 0 | 0 | 111.7 | L9 A11 H22 L23 R24 V28 A29 R30 I45 I46 W77 I78 L133 | L9-F26 HydrophobicContact CB-CD1 4.3Å; L9-F26 HydrophobicContact CB-CE1 4.19Å; A11-F26 HydrophobicContact CB-CE1 4.45Å; A11-F26 HydrophobicContact CB-CE2 3.66Å; A11-F26 HydrophobicContact CB-CZ 3.43Å; A11-F26 VanDerWaalsContact CB-CZ 3.43Å; H22-F26 WeakPolarHBondContact O-CD2 3.5Å; L23-F26 WeakPolarHBondContact O-CB 3.48Å; L23-F26 PolarHBondContact O-N 2.95Å; L23-F26 VanDerWaalsContact O-N 3.14Å; R24-F26 PolarHBondContact O-N 3.18Å; F26-V28 PolarHBondContact O-N 3.25Å; F26-A29 PolarHBondContact O-N 3.32Å; F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.33Å; F26-I45 WeakPolarHBondContact CZ-O 3.46Å; F26-I46 HydrophobicContact CE2-CD1 3.94Å; F26-I46 HydrophobicContact CE2-CG1 3.5Å; F26-I46 HydrophobicContact CZ-CG1 3.63Å; F26-W77 HydrophobicContact CB-CH2 3.64Å; F26-W77 HydrophobicContact CB-CZ2 3.64Å; F26-W77 AromaticContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CZ2 4.49Å; F26-W77 HydrophobicContact CD1-CZ3 4.16Å; F26-W77 HydrophobicContact CG-CH2 4.21Å; F26-W77 WeakPolarHBondContact O-CH2 3.29Å; F26-I78 HydrophobicContact CB-CD1 3.45Å; F26-I78 VanDerWaalsContact CB-CD1 3.45Å; F26-I78 HydrophobicContact CB-CG1 4.25Å; F26-I78 HydrophobicContact CD1-CD1 4.16Å; F26-I78 HydrophobicContact CD1-CG1 4.15Å; F26-I78 HydrophobicContact CD1-CG2 4.27Å; F26-I78 HydrophobicContact CD2-CD1 4.28Å; F26-I78 HydrophobicContact CE1-CG2 4.18Å; F26-I78 HydrophobicContact CE2-CG2 4.5Å; F26-I78 HydrophobicContact CG-CD1 3.72Å; F26-I78 HydrophobicContact CG-CG1 4.23Å; F26-I78 HydrophobicContact CG-CG2 4.46Å; F26-I78 HydrophobicContact CZ-CG2 4.29Å; F26-L133 HydrophobicContact CB-CD2 4.23Å; F26-L133 HydrophobicContact CD1-CD2 3.57Å; F26-L133 HydrophobicContact CD2-CD2 3.77Å; F26-L133 HydrophobicContact CE1-CD2 3.76Å; F26-L133 HydrophobicContact CE2-CD2 3.94Å; F26-L133 HydrophobicContact CG-CD2 3.58Å; F26-L133 HydrophobicContact CZ-CD2 3.94Å |
| 27 | E | 97.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 179.5 | -61.8 | -55.6 | 137.9 | 0 | 0 | 111.7 | L23 R24 A29 R30 D31 W77 | L23-E27 PolarHBondContact O-N 2.92Å; R24-E27 PolarHBondContact O-N 2.93Å; E27-A29 PolarHBondContact O-N 3.07Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 IonicContact OE1-NH2 3.51Å; E27-R30 IonicContact OE2-CZ 2.85Å; E27-R30 IonicContact OE2-NE 2.74Å; E27-R30 IonicContact OE2-NH2 2.84Å; E27-R30 PolarHBondContact OE2-NH2 3.11Å; E27-D31 PolarHBondContact O-N 3.28Å; E27-W77 PolarHBondContact OE1-NE1 2.91Å |
| 28 | V | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 180 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | R24 F26 H32 V165 A192 E194 | R24-V28 HydrophobicContact CG-CG2 4.03Å; R24-V28 VanDerWaalsContact O-CG2 3.24Å; R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.03Å; F26-V28 PolarHBondContact O-N 3.25Å; V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.44Å; V28-H32 PolarHBondContact O-N 3.28Å; V28-V165 HydrophobicContact CB-CG1 4.26Å; V28-V165 HydrophobicContact CB-CG2 4.46Å; V28-V165 HydrophobicContact CG1-CG1 3.76Å; V28-V165 HydrophobicContact CG1-CG2 4.31Å; V28-A192 HydrophobicContact CG1-CB 3.98Å; V28-E194 HydrophobicContact CG1-CB 4.42Å; V28-E194 WeakPolarHBondContact CG2-OE2 3.38Å |
| 29 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L9 L25 F26 E27 H32 L33 L133 V163 V165 | L9-A29 HydrophobicContact CD1-CB 3.75Å; L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.25Å; L25-A29 PolarHBondContact O-N 3.42Å; F26-A29 PolarHBondContact O-N 3.32Å; E27-A29 PolarHBondContact O-N 3.07Å; A29-H32 PolarHBondContact O-N 3.15Å; A29-L33 WeakPolarHBondContact O-CG 3.09Å; A29-L33 PolarHBondContact O-N 3.01Å; A29-L133 HydrophobicContact CB-CD1 3.48Å; A29-L133 VanDerWaalsContact CB-CD1 3.48Å; A29-L133 HydrophobicContact CB-CD2 4.36Å; A29-V163 HydrophobicContact CB-CG1 3.67Å; A29-V165 HydrophobicContact CB-CG2 4.41Å |
| 30 | R | 98.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -52.3 | 176.5 | 175.3 | 169.1 | 73 | 163.1 | 1.4 | 111.5 | F26 E27 H32 L33 H34 V41 W77 | F26-R30 WeakPolarHBondContact O-CB 3.44Å; F26-R30 PolarHBondContact O-N 3.33Å; E27-R30 PolarHBondContact O-N 2.94Å; E27-R30 IonicContact OE1-NH2 3.51Å; E27-R30 IonicContact OE2-CZ 2.85Å; E27-R30 IonicContact OE2-NE 2.74Å; E27-R30 IonicContact OE2-NH2 2.84Å; E27-R30 PolarHBondContact OE2-NH2 3.11Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 3.05Å; R30-L33 PolarHBondContact O-N 2.94Å; R30-H34 PolarHBondContact O-N 3.03Å; R30-V41 HydrophobicContact CB-CB 4.44Å; R30-V41 HydrophobicContact CB-CG1 4.5Å; R30-V41 HydrophobicContact CB-CG2 4.42Å; R30-V41 HydrophobicContact CG-CB 4Å; R30-V41 HydrophobicContact CG-CG1 4.35Å; R30-V41 HydrophobicContact CG-CG2 4.32Å; R30-W77 HydrophobicContact CB-CH2 3.77Å; R30-W77 HydrophobicContact CB-CZ2 3.97Å; R30-W77 HydrophobicContact CB-CZ3 4.49Å; R30-W77 HydrophobicContact CG-CH2 4.43Å; R30-W77 HydrophobicContact CG-CZ2 4.5Å; R30-W77 VanDerWaalsContact CZ-NE1 3.26Å |
| 31 | D | 98 | Very high | 97.1 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 178.9 | -72.2 | -11 | 0 | 0 | 0 | 111.1 | E27 L33 H34 Q35 | E27-D31 PolarHBondContact O-N 3.28Å; D31-L33 PolarHBondContact O-N 3.27Å; D31-H34 PolarHBondContact O-N 3.08Å; D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 WeakPolarHBondContact O-CG 3.39Å; D31-Q35 PolarHBondContact O-N 2.88Å |
| 32 | H | 98.2 | Very high | 97.2 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 21% | 0.213 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 178.6 | 178.6 | 73.7 | 0 | 0 | 0 | 112.2 | V28 A29 R30 H34 Q35 T36 L191 A192 | V28-H32 VanDerWaalsContact O-CB 3.28Å; V28-H32 WeakPolarHBondContact O-CB 3.44Å; V28-H32 PolarHBondContact O-N 3.28Å; A29-H32 PolarHBondContact O-N 3.15Å; R30-H32 VanDerWaalsContact C-N 3.32Å; R30-H32 PolarHBondContact O-N 3.05Å; H32-H34 PolarHBondContact O-N 3.48Å; H32-Q35 PolarHBondContact O-N 3.38Å; H32-T36 WeakPolarHBondContact O-CG2 3.45Å; H32-T36 PolarHBondContact O-N 3.21Å; H32-L191 PolarHBondContact CE1-O 2.9Å; H32-L191 VanDerWaalsContact CE1-O 3.22Å; H32-A192 HydrophobicContact CB-CB 3.64Å |
| 33 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 179.2 | -73.8 | -177.1 | 0 | 0 | 0 | 111.9 | V7 L9 A29 R30 D31 T36 Y39 V41 V163 H190 | V7-L33 HydrophobicContact CB-CD1 4.48Å; V7-L33 HydrophobicContact CG1-CD1 3.96Å; L9-L33 HydrophobicContact CD2-CD1 3.87Å; A29-L33 WeakPolarHBondContact O-CG 3.09Å; A29-L33 PolarHBondContact O-N 3.01Å; R30-L33 PolarHBondContact O-N 2.94Å; D31-L33 PolarHBondContact O-N 3.27Å; L33-T36 WeakPolarHBondContact O-CB 3.25Å; L33-T36 PolarHBondContact O-N 2.74Å; L33-T36 PolarHBondContact O-OG1 3.48Å; L33-Y39 HydrophobicContact CD2-CD2 3.82Å; L33-Y39 HydrophobicContact CD2-CE2 4.23Å; L33-Y39 HydrophobicContact CD2-CG 4.36Å; L33-V41 HydrophobicContact CB-CG2 3.88Å; L33-V41 HydrophobicContact CD1-CG2 3.59Å; L33-V41 HydrophobicContact CG-CG2 4.37Å; L33-V163 HydrophobicContact CD1-CG2 4.03Å; L33-V163 HydrophobicContact CD2-CG2 4.26Å; L33-V163 HydrophobicContact CG-CG2 4.37Å; L33-H190 HydrophobicContact CD2-CB 4.22Å |
| 34 | H | 97.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 27% | 0.269 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.9 | -72.1 | 179.8 | 0 | 0 | 0 | 112.4 | R30 D31 H32 T36 G37 V41 | R30-H34 PolarHBondContact O-N 3.03Å; D31-H34 PolarHBondContact O-N 3.08Å; H32-H34 PolarHBondContact O-N 3.48Å; H34-T36 PolarHBondContact O-N 3.01Å; H34-G37 PolarHBondContact O-N 3.3Å; H34-V41 PolarHBondContact CD2-N 3.26Å; H34-V41 PolarHBondContact NE2-N 3.3Å |
| 35 | Q | 96.9 | Very high | 97.5 | Very high | 153 Ų | 153 | 41.2 Ų | 41.2 | 72% | 0.715 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.9 | -25.7 | 178.4 | -76.4 | 166.8 | 19.3 | 0 | 0 | 113.3 | D31 H32 G37 | D31-Q35 WeakPolarHBondContact O-CB 3.31Å; D31-Q35 WeakPolarHBondContact O-CG 3.39Å; D31-Q35 PolarHBondContact O-N 2.88Å; H32-Q35 PolarHBondContact O-N 3.38Å; Q35-G37 PolarHBondContact O-N 3.15Å |
| 36 | T | 96.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.8 | 172.9 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | H32 L33 H34 M38 Y39 | H32-T36 WeakPolarHBondContact O-CG2 3.45Å; H32-T36 PolarHBondContact O-N 3.21Å; L33-T36 WeakPolarHBondContact O-CB 3.25Å; L33-T36 PolarHBondContact O-N 2.74Å; L33-T36 PolarHBondContact O-OG1 3.48Å; H34-T36 PolarHBondContact O-N 3.01Å; T36-M38 PolarHBondContact O-N 3.09Å; T36-M38 VanDerWaalsContact O-N 3.14Å; T36-M38 PolarHBondContact OG1-N 2.97Å; T36-M38 VanDerWaalsContact OG1-N 3.1Å; T36-Y39 WeakPolarHBondContact OG1-CD2 3.41Å |
| 37 | G | 95.8 | Very high | 97.6 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 40% | 0.402 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 70.5 | -3.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H34 Q35 | H34-G37 PolarHBondContact O-N 3.3Å; Q35-G37 PolarHBondContact O-N 3.15Å |
| 38 | M | 95.2 | Very high | 97.7 | Very high | 100 Ų | 100 | 37.9 Ų | 37.9 | 49% | 0.493 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -93.7 | -32 | -177.6 | -58 | -169.2 | -60.9 | 0 | 0 | 112.6 | R4 I5 T36 | R4-M38 CarbonylContact C-O 3.58Å; R4-M38 WeakPolarHBondContact CA-O 3.4Å; I5-M38 PolarHBondContact N-O 3.39Å; T36-M38 PolarHBondContact O-N 3.09Å; T36-M38 VanDerWaalsContact O-N 3.14Å; T36-M38 PolarHBondContact OG1-N 2.97Å; T36-M38 VanDerWaalsContact OG1-N 3.1Å |
| 39 | Y | 97.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 37.8 Ų | 37.8 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 151.4 | -171.3 | -58.5 | -74.6 | 0 | 0 | 0 | 113 | I5 V7 L33 T36 H190 | I5-Y39 HydrophobicContact CB-CD1 3.78Å; I5-Y39 HydrophobicContact CB-CE1 4.15Å; I5-Y39 HydrophobicContact CD1-CD1 4.42Å; I5-Y39 HydrophobicContact CD1-CE1 4.01Å; I5-Y39 HydrophobicContact CG2-CD1 4.05Å; I5-Y39 HydrophobicContact CG2-CE1 4.21Å; I5-Y39 CarbonylContact O-C 3.53Å; I5-Y39 WeakPolarHBondContact O-CA 3.49Å; V7-Y39 HydrophobicContact CG2-CD1 3.39Å; V7-Y39 HydrophobicContact CG2-CE1 4.22Å; V7-Y39 HydrophobicContact CG2-CG 3.96Å; L33-Y39 HydrophobicContact CD2-CD2 3.82Å; L33-Y39 HydrophobicContact CD2-CE2 4.23Å; L33-Y39 HydrophobicContact CD2-CG 4.36Å; T36-Y39 WeakPolarHBondContact OG1-CD2 3.41Å; Y39-H190 AromaticContact CE2-CE1 3.52Å; Y39-H190 AromaticContact CZ-CE1 3.86Å |
| 40 | Q | 97.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 101.2 | 168.2 | -178.8 | 173.6 | 0.9 | 0 | 0 | 108.3 | R4 I5 P6 V7 I42 | R4-Q40 HydrophobicContact CB-CB 3.93Å; I5-Q40 PolarHBondContact O-N 2.97Å; P6-Q40 CarbonylContact C-O 3.6Å; P6-Q40 VanDerWaalsContact CA-O 3.29Å; P6-Q40 WeakPolarHBondContact CA-O 3.33Å; V7-Q40 PolarHBondContact N-O 3.11Å; Q40-I42 HydrophobicContact CG-CG2 4.18Å; Q40-I42 PolarHBondContact O-N 3.46Å |
| 41 | V | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 124.9 | 171.1 | -177 | 0 | 0 | 0 | 0 | 109.4 | V7 L9 R30 L33 H34 W77 | V7-V41 HydrophobicContact CB-CG2 4.38Å; V7-V41 CarbonylContact O-C 3.53Å; V7-V41 VanDerWaalsContact O-CA 3.31Å; V7-V41 WeakPolarHBondContact O-CA 3.43Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD1-CG2 4.35Å; L9-V41 HydrophobicContact CG-CG1 4.08Å; R30-V41 HydrophobicContact CB-CB 4.44Å; R30-V41 HydrophobicContact CB-CG1 4.5Å; R30-V41 HydrophobicContact CB-CG2 4.42Å; R30-V41 HydrophobicContact CG-CB 4Å; R30-V41 HydrophobicContact CG-CG1 4.35Å; R30-V41 HydrophobicContact CG-CG2 4.32Å; L33-V41 HydrophobicContact CB-CG2 3.88Å; L33-V41 HydrophobicContact CD1-CG2 3.59Å; L33-V41 HydrophobicContact CG-CG2 4.37Å; H34-V41 PolarHBondContact CD2-N 3.26Å; H34-V41 PolarHBondContact NE2-N 3.3Å; V41-W77 HydrophobicContact CG1-CE3 4.06Å; V41-W77 HydrophobicContact CG1-CH2 4.31Å; V41-W77 HydrophobicContact CG1-CZ3 3.53Å |
| 42 | I | 96.9 | Very high | 97.4 | Very high | 49 Ų | 49 | 40 Ų | 40 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -20 | -176.4 | 56.3 | 168.9 | 0 | 0 | 0 | 112.9 | P6 V7 V8 Q40 P109 P128 | P6-I42 HydrophobicContact CB-CD1 3.95Å; P6-I42 HydrophobicContact CB-CG1 4.46Å; P6-I42 HydrophobicContact CB-CG2 4.27Å; V7-I42 WeakPolarHBondContact O-CG1 3.39Å; V7-I42 PolarHBondContact O-N 3.14Å; V8-I42 HydrophobicContact CG2-CD1 4.26Å; V8-I42 HydrophobicContact CG2-CG1 4.07Å; Q40-I42 HydrophobicContact CG-CG2 4.18Å; Q40-I42 PolarHBondContact O-N 3.46Å; I42-P109 HydrophobicContact CD1-CB 4.31Å; I42-P109 HydrophobicContact CD1-CG 3.34Å; I42-P128 HydrophobicContact CD1-CB 3.91Å; I42-P128 HydrophobicContact CD1-CG 3.65Å |
| 43 | Q | 98.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 148.9 | 179.5 | -173.1 | 169.2 | 54.1 | 0 | 0 | 112.1 | V8 L9 I45 W77 R79 | V8-Q43 WeakPolarHBondContact CA-O 3.47Å; V8-Q43 HydrophobicContact CG1-CB 4.29Å; V8-Q43 HydrophobicContact CG2-CB 4.28Å; L9-Q43 PolarHBondContact N-O 2.82Å; Q43-I45 HydrophobicContact CG-CG1 4.42Å; Q43-W77 CarbonylContact C-O 3.48Å; Q43-W77 WeakPolarHBondContact CA-O 3.38Å; Q43-R79 VanDerWaalsContact NE2-CD 3.3Å |
| 44 | G | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L9 W77 I78 R79 | L9-G44 CarbonylContact O-C 3.55Å; L9-G44 WeakPolarHBondContact O-CA 3.49Å; G44-W77 VanDerWaalsContact N-CE3 3.35Å; G44-W77 PolarHBondContact N-O 3.07Å; G44-I78 WeakPolarHBondContact O-CA 3.35Å; G44-R79 PolarHBondContact O-N 3.09Å |
| 45 | I | 98.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.3 | 178.1 | -56.9 | 174.2 | 0 | 0 | 0 | 109 | V8 L9 L10 A11 F26 Q43 R79 D81 | V8-I45 HydrophobicContact CG1-CD1 3.68Å; V8-I45 HydrophobicContact CG1-CG1 4.03Å; L9-I45 PolarHBondContact O-N 3.41Å; L10-I45 WeakPolarHBondContact CA-O 3.49Å; L10-I45 HydrophobicContact CD1-CB 3.82Å; L10-I45 HydrophobicContact CD1-CG2 3.62Å; A11-I45 PolarHBondContact N-O 3.5Å; F26-I45 WeakPolarHBondContact CZ-O 3.46Å; Q43-I45 HydrophobicContact CG-CG1 4.42Å; I45-R79 CarbonylContact C-O 3.34Å; I45-R79 WeakPolarHBondContact CA-O 3.5Å; I45-R79 HydrophobicContact CG1-CG 4.49Å; I45-D81 HydrophobicContact CG2-CB 3.69Å |
| 46 | I | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.3 | 165.6 | -71.1 | -172.5 | 0 | 0 | 0 | 108.1 | F15 I18 L23 F26 P48 A68 L72 I78 R79 V80 D81 | F15-I46 HydrophobicContact CD1-CG2 4.12Å; F15-I46 HydrophobicContact CD2-CG2 3.86Å; F15-I46 HydrophobicContact CE1-CD1 4.34Å; F15-I46 HydrophobicContact CE1-CG1 4.46Å; F15-I46 HydrophobicContact CE1-CG2 3.91Å; F15-I46 HydrophobicContact CE2-CG2 3.65Å; F15-I46 HydrophobicContact CG-CG2 4.1Å; F15-I46 HydrophobicContact CZ-CB 4.46Å; F15-I46 HydrophobicContact CZ-CG1 4.45Å; F15-I46 HydrophobicContact CZ-CG2 3.68Å; I18-I46 HydrophobicContact CD1-CD1 3.47Å; I18-I46 VanDerWaalsContact CD1-CD1 3.47Å; L23-I46 HydrophobicContact CD2-CD1 4.45Å; F26-I46 HydrophobicContact CE2-CD1 3.94Å; F26-I46 HydrophobicContact CE2-CG1 3.5Å; F26-I46 HydrophobicContact CZ-CG1 3.63Å; I46-P48 HydrophobicContact CG2-CG 4.31Å; I46-P48 WeakPolarHBondContact O-CD 3.24Å; I46-A68 HydrophobicContact CG2-CB 4.13Å; I46-L72 HydrophobicContact CD1-CD1 4.12Å; I46-L72 HydrophobicContact CD1-CD2 4.28Å; I46-L72 HydrophobicContact CD1-CG 4.49Å; I46-I78 HydrophobicContact CD1-CG2 4.37Å; I46-I78 HydrophobicContact CG1-CG2 4.12Å; I46-R79 PolarHBondContact N-O 3.03Å; I46-V80 HydrophobicContact CG2-CG2 4.38Å; I46-V80 WeakPolarHBondContact O-CA 3.47Å; I46-D81 PolarHBondContact O-N 2.86Å |
| 47 | S | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 97.2 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | A11 C12 G13 E84 | A11-S47 PolarHBondContact O-N 3.11Å; C12-S47 WeakPolarHBondContact CA-O 3.34Å; G13-S47 PolarHBondContact N-O 3.25Å; S47-E84 WeakPolarHBondContact CB-OE2 3.2Å; S47-E84 WeakPolarHBondContact OG-CB 3.31Å; S47-E84 PolarHBondContact OG-OE2 3.14Å |
| 48 | P | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 134 | 175.3 | -22.5 | 36.3 | 0 | 0 | 0 | 112.1 | G13 F15 I46 V65 V80 D81 S85 | G13-P48 WeakPolarHBondContact O-CA 3.44Å; F15-P48 HydrophobicContact CD2-CB 4.3Å; F15-P48 HydrophobicContact CD2-CG 4.25Å; I46-P48 HydrophobicContact CG2-CG 4.31Å; I46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-V65 HydrophobicContact CB-CG2 4.17Å; P48-V65 HydrophobicContact CG-CG2 3.92Å; P48-V80 HydrophobicContact CG-CG2 3.96Å; P48-D81 WeakPolarHBondContact CD-O 3.16Å; P48-S85 WeakPolarHBondContact O-CB 3.46Å; P48-S85 PolarHBondContact O-N 3.49Å |
| 49 | V | 98.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 152.2 | -179.5 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | G13 Y53 L58 R64 E84 | G13-V49 PolarHBondContact O-N 3.39Å; V49-Y53 HydrophobicContact CG1-CD1 4.17Å; V49-Y53 HydrophobicContact CG1-CG 4.36Å; V49-Y53 HydrophobicContact CG2-CD1 4.22Å; V49-Y53 HydrophobicContact CG2-CD2 4.06Å; V49-Y53 HydrophobicContact CG2-CG 3.73Å; V49-L58 HydrophobicContact CG1-CD1 4.4Å; V49-L58 HydrophobicContact CG1-CD2 4.16Å; V49-R64 VanDerWaalsContact O-CZ 3.24Å; V49-R64 PolarHBondContact O-NH1 3.14Å; V49-R64 PolarHBondContact O-NH2 2.95Å; V49-E84 WeakPolarHBondContact CA-OE1 3.46Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.31Å |
| 50 | N | 98.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 149.5 | 169.9 | -163.2 | -89.7 | 0 | 0 | 0 | 113.5 | N52 Y53 E84 S85 Q87 | N50-N52 VanDerWaalsContact C-N 3.26Å; N50-N52 PolarHBondContact O-N 3.22Å; N50-N52 VanDerWaalsContact OD1-CB 3.26Å; N50-N52 WeakPolarHBondContact OD1-CB 2.9Å; N50-N52 PolarHBondContact OD1-N 2.68Å; N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 2.9Å; N50-Y53 VanDerWaalsContact O-N 3.17Å; N50-E84 PolarHBondContact ND2-O 3.46Å; N50-S85 PolarHBondContact ND2-O 3.26Å; N50-S85 VanDerWaalsContact ND2-O 3.11Å; N50-Q87 PolarHBondContact ND2-O 3.25Å |
| 51 | D | 95.9 | Very high | 94.1 | Very high | 58 Ų | 58 | 42 Ų | 42 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -66.2 | -28 | 177.9 | -70.8 | -30.3 | 0 | 0 | 0 | 112.7 | Y53 G54 S61 R64 | D51-Y53 PolarHBondContact O-N 3.47Å; D51-Y53 VanDerWaalsContact O-N 3.09Å; D51-G54 PolarHBondContact O-N 3.33Å; D51-S61 WeakPolarHBondContact OD1-CA 3.46Å; D51-S61 WeakPolarHBondContact OD1-CB 3.32Å; D51-S61 PolarHBondContact OD1-N 3.35Å; D51-S61 VanDerWaalsContact OD2-CB 3.25Å; D51-S61 WeakPolarHBondContact OD2-CB 3.26Å; D51-S61 PolarHBondContact OD2-N 2.85Å; D51-S61 PolarHBondContact OD2-OG 3.24Å; D51-R64 IonicContact OD1-CZ 3.31Å; D51-R64 IonicContact OD1-NH2 2.87Å; D51-R64 PolarHBondContact OD1-NH2 3.45Å |
| 52 | N | 93.3 | Very high | 94.2 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -73.2 | 4.7 | 175.5 | -65.9 | -20.4 | 0 | 0 | 0 | 113.5 | N50 G54 T88 | N50-N52 VanDerWaalsContact C-N 3.26Å; N50-N52 PolarHBondContact O-N 3.22Å; N50-N52 VanDerWaalsContact OD1-CB 3.26Å; N50-N52 WeakPolarHBondContact OD1-CB 2.9Å; N50-N52 PolarHBondContact OD1-N 2.68Å; N52-G54 PolarHBondContact O-N 2.93Å; N52-T88 PolarHBondContact ND2-O 2.8Å |
| 53 | Y | 87 | Confident | 94.2 | Very high | 99 Ų | 99 | 46 Ų | 46 | 39% | 0.388 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -61.7 | -20.2 | 169.5 | -177.7 | -122 | 0 | 0 | 0 | 112.7 | V49 N50 D51 K55 W90 | V49-Y53 HydrophobicContact CG1-CD1 4.17Å; V49-Y53 HydrophobicContact CG1-CG 4.36Å; V49-Y53 HydrophobicContact CG2-CD1 4.22Å; V49-Y53 HydrophobicContact CG2-CD2 4.06Å; V49-Y53 HydrophobicContact CG2-CG 3.73Å; N50-Y53 WeakPolarHBondContact O-CB 3.4Å; N50-Y53 PolarHBondContact O-N 2.9Å; N50-Y53 VanDerWaalsContact O-N 3.17Å; D51-Y53 PolarHBondContact O-N 3.47Å; D51-Y53 VanDerWaalsContact O-N 3.09Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 HydrophobicContact CD1-CB 3.62Å; Y53-K55 HydrophobicContact CD1-CD 4.46Å; Y53-K55 HydrophobicContact CE1-CB 3.84Å; Y53-K55 HydrophobicContact CE1-CD 4.1Å; Y53-K55 HydrophobicContact CE1-CG 4.5Å; Y53-K55 PolarHBondContact O-N 2.88Å; Y53-W90 AromaticContact CD2-CD1 3.5Å; Y53-W90 HydrophobicContact CD2-CD2 4.37Å; Y53-W90 AromaticContact CD2-CE2 3.89Å; Y53-W90 HydrophobicContact CD2-CG 4.13Å; Y53-W90 AromaticContact CD2-NE1 3.33Å; Y53-W90 VanDerWaalsContact CD2-NE1 3.33Å; Y53-W90 AromaticContact CE2-NE1 3.9Å |
| 54 | G | 77.3 | Confident | 94.3 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | trans | 72.6 | 14.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D51 N52 K56 | D51-G54 PolarHBondContact O-N 3.33Å; N52-G54 PolarHBondContact O-N 2.93Å; G54-K56 PolarHBondContact O-N 3.34Å | ||
| 55 | K | 83.8 | Confident | 94.3 | Very high | 85 Ų | 85 | 44.6 Ų | 44.6 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | trans | -69.1 | 129.2 | 174.5 | -176.2 | 174.2 | -174.4 | 166 | 0 | 110.3 | S14 Y53 D57 L58 | S14-K55 WeakPolarHBondContact OG-CD 3.49Å; S14-K55 PolarHBondContact OG-NZ 3.02Å; S14-K55 VanDerWaalsContact OG-NZ 3.16Å; Y53-K55 VanDerWaalsContact C-N 3.26Å; Y53-K55 HydrophobicContact CD1-CB 3.62Å; Y53-K55 HydrophobicContact CD1-CD 4.46Å; Y53-K55 HydrophobicContact CE1-CB 3.84Å; Y53-K55 HydrophobicContact CE1-CD 4.1Å; Y53-K55 HydrophobicContact CE1-CG 4.5Å; Y53-K55 PolarHBondContact O-N 2.88Å; K55-D57 PolarHBondContact O-N 2.97Å; K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 VanDerWaalsContact O-CB 3.23Å; K55-L58 WeakPolarHBondContact O-CB 3.31Å; K55-L58 PolarHBondContact O-N 3.03Å | ||
| 56 | K | 82.9 | Confident | 94.3 | Very high | 160 Ų | 160 | 45.8 Ų | 45.8 | 70% | 0.696 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.2 | 173.7 | -169.3 | 179.4 | 175.5 | -179.5 | 0 | 110.9 | G54 L58 | G54-K56 PolarHBondContact O-N 3.34Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 2.85Å |
| 57 | D | 88.5 | Confident | 94.3 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 43% | 0.433 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 22 | -179.7 | -44.5 | -42.7 | 0 | 0 | 0 | 115 | N16 K55 A59 | N16-D57 PolarHBondContact ND2-O 2.95Å; K55-D57 PolarHBondContact O-N 2.97Å; D57-A59 PolarHBondContact O-N 3.31Å |
| 58 | L | 93.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 17% | 0.173 | 25% | 0.25 | C | S | . | . | trans | -70 | 114.9 | 173.1 | -170.5 | 64.2 | 0 | 0 | 0 | 109.8 | N16 V49 K55 K56 | N16-L58 HydrophobicContact CB-CD1 4Å; N16-L58 WeakPolarHBondContact ND2-CA 3.24Å; V49-L58 HydrophobicContact CG1-CD1 4.4Å; V49-L58 HydrophobicContact CG1-CD2 4.16Å; K55-L58 HydrophobicContact CB-CB 4.36Å; K55-L58 VanDerWaalsContact O-CB 3.23Å; K55-L58 WeakPolarHBondContact O-CB 3.31Å; K55-L58 PolarHBondContact O-N 3.03Å; K56-L58 VanDerWaalsContact C-N 3.26Å; K56-L58 PolarHBondContact O-N 2.85Å | ||
| 59 | A | 95.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | trans | -63.4 | 152.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N16 D57 R64 Y233 | N16-A59 VanDerWaalsContact OD1-CB 3.26Å; N16-A59 WeakPolarHBondContact OD1-CB 3.47Å; N16-A59 PolarHBondContact OD1-N 3.26Å; D57-A59 PolarHBondContact O-N 3.31Å; A59-R64 HydrophobicContact CB-CG 4.22Å; A59-R64 VanDerWaalsContact O-CD 3.31Å; A59-R64 WeakPolarHBondContact O-CD 3.38Å; A59-R64 PolarHBondContact O-NE 3.24Å; A59-Y233 HydrophobicContact CB-CE1 4Å | ||
| 60 | A | 97.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 54.6 Ų | 54.6 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | trans | -54 | 142.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H62 H63 R64 | A60-H62 VanDerWaalsContact C-N 3.29Å; A60-H62 PolarHBondContact O-N 3.49Å; A60-H63 WeakPolarHBondContact O-CB 3.47Å; A60-H63 PolarHBondContact O-N 3.3Å; A60-R64 PolarHBondContact O-N 3Å | ||
| 61 | S | 97.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.1 | -44.2 | -175.7 | 47.1 | 0 | 0 | 0 | 0 | 113 | D51 H63 R64 V65 | D51-S61 WeakPolarHBondContact OD1-CA 3.46Å; D51-S61 WeakPolarHBondContact OD1-CB 3.32Å; D51-S61 PolarHBondContact OD1-N 3.35Å; D51-S61 VanDerWaalsContact OD2-CB 3.25Å; D51-S61 WeakPolarHBondContact OD2-CB 3.26Å; D51-S61 PolarHBondContact OD2-N 2.85Å; D51-S61 PolarHBondContact OD2-OG 3.24Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 3.45Å; S61-R64 VanDerWaalsContact CA-NH2 3.32Å; S61-R64 PolarHBondContact O-N 3.29Å; S61-V65 WeakPolarHBondContact O-CB 3.4Å; S61-V65 WeakPolarHBondContact O-CG2 3.43Å; S61-V65 PolarHBondContact O-N 3.34Å |
| 62 | H | 98.3 | Very high | 94.5 | Very high | 112 Ų | 112 | 52.5 Ų | 52.5 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -36.9 | 178.8 | 72.6 | -90.9 | 0 | 0 | 0 | 112.7 | A60 A66 | A60-H62 VanDerWaalsContact C-N 3.29Å; A60-H62 PolarHBondContact O-N 3.49Å; H62-A66 VanDerWaalsContact O-CB 3.24Å; H62-A66 WeakPolarHBondContact O-CB 3.32Å; H62-A66 PolarHBondContact O-N 3.01Å |
| 63 | H | 98.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 54 Ų | 54 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 173.5 | -66.8 | -49.2 | 0 | 0 | 0 | 111.7 | A60 S61 A66 M67 Y226 H230 L232 | A60-H63 WeakPolarHBondContact O-CB 3.47Å; A60-H63 PolarHBondContact O-N 3.3Å; S61-H63 VanDerWaalsContact C-N 3.26Å; S61-H63 PolarHBondContact O-N 3.45Å; H63-A66 PolarHBondContact O-N 3.17Å; H63-M67 HydrophobicContact CB-CE 4.43Å; H63-M67 WeakPolarHBondContact O-CB 3.26Å; H63-M67 WeakPolarHBondContact O-CE 3.13Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.35Å; H63-M67 PolarHBondContact O-N 3.35Å; H63-Y226 HydrophobicContact CB-CE1 4.11Å; H63-Y226 AromaticContact ND1-CE1 3.82Å; H63-Y226 AromaticContact ND1-CZ 3.79Å; H63-Y226 PolarHBondContact ND1-OH 2.67Å; H63-H230 AromaticContact CE1-CD2 3.78Å; H63-H230 AromaticContact ND1-CD2 3.94Å; H63-L232 HydrophobicContact CB-CD1 3.92Å |
| 64 | R | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.6 | -40.8 | -178.6 | -63.3 | -177.2 | -69.4 | 104.4 | -1.5 | 111.7 | S14 V49 D51 A59 A60 S61 M67 A68 | S14-R64 VanDerWaalsContact O-CD 3.29Å; S14-R64 WeakPolarHBondContact O-CD 3.42Å; S14-R64 PolarHBondContact O-NH1 2.89Å; V49-R64 VanDerWaalsContact O-CZ 3.24Å; V49-R64 PolarHBondContact O-NH1 3.14Å; V49-R64 PolarHBondContact O-NH2 2.95Å; D51-R64 IonicContact OD1-CZ 3.31Å; D51-R64 IonicContact OD1-NH2 2.87Å; D51-R64 PolarHBondContact OD1-NH2 3.45Å; A59-R64 HydrophobicContact CB-CG 4.22Å; A59-R64 VanDerWaalsContact O-CD 3.31Å; A59-R64 WeakPolarHBondContact O-CD 3.38Å; A59-R64 PolarHBondContact O-NE 3.24Å; A60-R64 PolarHBondContact O-N 3Å; S61-R64 VanDerWaalsContact CA-NH2 3.32Å; S61-R64 PolarHBondContact O-N 3.29Å; R64-M67 HydrophobicContact CG-CE 4.2Å; R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.66Å |
| 65 | V | 98.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 172.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | P48 S61 A68 R69 V80 P82 | P48-V65 HydrophobicContact CB-CG2 4.17Å; P48-V65 HydrophobicContact CG-CG2 3.92Å; S61-V65 WeakPolarHBondContact O-CB 3.4Å; S61-V65 WeakPolarHBondContact O-CG2 3.43Å; S61-V65 PolarHBondContact O-N 3.34Å; V65-A68 PolarHBondContact O-N 3.43Å; V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 PolarHBondContact O-N 3.36Å; V65-V80 HydrophobicContact CG1-CG2 4.28Å; V65-P82 HydrophobicContact CG1-CB 4.1Å; V65-P82 HydrophobicContact CG2-CB 4.09Å |
| 66 | A | 98.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 57.2 Ų | 57.2 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | H62 H63 A68 R69 L70 Y226 | H62-A66 VanDerWaalsContact O-CB 3.24Å; H62-A66 WeakPolarHBondContact O-CB 3.32Å; H62-A66 PolarHBondContact O-N 3.01Å; H63-A66 PolarHBondContact O-N 3.17Å; A66-A68 PolarHBondContact O-N 3.05Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.49Å; A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 2.88Å; A66-Y226 HydrophobicContact CB-CE1 4.33Å; A66-Y226 HydrophobicContact CB-CE2 3.83Å |
| 67 | M | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.6 | -73.3 | -174.2 | -68.4 | 0 | 0 | 112.3 | P17 I18 H63 R64 L70 A71 V223 Y226 I227 L232 Y233 | P17-M67 HydrophobicContact CB-CE 3.96Å; P17-M67 HydrophobicContact CB-SD 3.73Å; I18-M67 HydrophobicContact CG2-CB 4.34Å; H63-M67 HydrophobicContact CB-CE 4.43Å; H63-M67 WeakPolarHBondContact O-CB 3.26Å; H63-M67 WeakPolarHBondContact O-CE 3.13Å; H63-M67 VanDerWaalsContact O-CG 3.31Å; H63-M67 WeakPolarHBondContact O-CG 3.35Å; H63-M67 PolarHBondContact O-N 3.35Å; R64-M67 HydrophobicContact CG-CE 4.2Å; M67-L70 PolarHBondContact O-N 2.74Å; M67-A71 WeakPolarHBondContact O-CB 3.39Å; M67-A71 PolarHBondContact O-N 3.19Å; M67-V223 HydrophobicContact CB-CG1 4.03Å; M67-V223 HydrophobicContact CB-CG2 4.46Å; M67-V223 HydrophobicContact CG-CG1 3.94Å; M67-V223 WeakPolarHBondContact O-CG2 3.08Å; M67-V223 HydrophobicContact SD-CG1 3.84Å; M67-Y226 HydrophobicContact CG-CD1 3.36Å; M67-Y226 HydrophobicContact CG-CE1 3.84Å; M67-Y226 HydrophobicContact CG-CG 4.1Å; M67-Y226 HydrophobicContact SD-CD1 4.09Å; M67-I227 HydrophobicContact SD-CD1 3.95Å; M67-I227 HydrophobicContact SD-CG1 3.56Å; M67-I227 VanDerWaalsContact SD-CG1 3.56Å; M67-L232 HydrophobicContact CE-CD1 4.34Å; M67-L232 HydrophobicContact SD-CD1 4.39Å; M67-Y233 HydrophobicContact CE-CE2 4.3Å; M67-Y233 WeakPolarHBondContact CE-OH 3.13Å; M67-Y233 HydrophobicContact SD-CE2 4.4Å |
| 68 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I18 I46 R64 V65 A66 L70 A71 L72 V80 | I18-A68 HydrophobicContact CD1-CB 4.19Å; I46-A68 HydrophobicContact CG2-CB 4.13Å; R64-A68 WeakPolarHBondContact O-CB 3.46Å; R64-A68 PolarHBondContact O-N 2.66Å; V65-A68 PolarHBondContact O-N 3.43Å; A66-A68 PolarHBondContact O-N 3.05Å; A68-L70 PolarHBondContact O-N 3.01Å; A68-A71 PolarHBondContact O-N 3.3Å; A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 WeakPolarHBondContact O-CG 3.4Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-L72 VanDerWaalsContact O-N 3.14Å; A68-V80 HydrophobicContact CB-CB 4.12Å; A68-V80 HydrophobicContact CB-CG2 3.82Å |
| 69 | R | 98.8 | Very high | 98.4 | Very high | 148 Ų | 148 | 50.2 Ų | 50.2 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.2 | -44.8 | 175.7 | -166.8 | 177.8 | -64.7 | -107.3 | -0 | 112.1 | V65 A66 L72 Q73 V80 | V65-R69 WeakPolarHBondContact O-CB 3.44Å; V65-R69 PolarHBondContact O-N 3.36Å; A66-R69 WeakPolarHBondContact O-CB 3.4Å; A66-R69 PolarHBondContact O-N 3.49Å; R69-L72 PolarHBondContact O-N 3.13Å; R69-Q73 PolarHBondContact O-N 3.06Å; R69-V80 HydrophobicContact CB-CG1 3.91Å; R69-V80 HydrophobicContact CG-CG1 4.34Å |
| 70 | L | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 176.4 | -71 | 170.1 | 0 | 0 | 0 | 112 | A66 M67 A68 L72 Q73 A222 Y226 | A66-L70 WeakPolarHBondContact O-CG 3.37Å; A66-L70 PolarHBondContact O-N 2.88Å; M67-L70 PolarHBondContact O-N 2.74Å; A68-L70 PolarHBondContact O-N 3.01Å; L70-L72 PolarHBondContact O-N 2.79Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.2Å; L70-A222 HydrophobicContact CB-CB 4.12Å; L70-Y226 HydrophobicContact CD1-CD2 3.58Å; L70-Y226 HydrophobicContact CD1-CG 3.79Å |
| 71 | A | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -25.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I18 L23 M67 A68 P220 V223 | I18-A71 HydrophobicContact CD1-CB 3.95Å; I18-A71 HydrophobicContact CG1-CB 4.46Å; I18-A71 HydrophobicContact CG2-CB 3.7Å; L23-A71 HydrophobicContact CD1-CB 4.46Å; M67-A71 WeakPolarHBondContact O-CB 3.39Å; M67-A71 PolarHBondContact O-N 3.19Å; A68-A71 PolarHBondContact O-N 3.3Å; A71-P220 HydrophobicContact CB-CG 3.86Å; A71-V223 HydrophobicContact CB-CG2 3.87Å |
| 72 | L | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 3.2 | -175.8 | -66.6 | 177.1 | 0 | 0 | 0 | 114 | L23 I46 A68 R69 L70 T74 S75 I78 R79 V80 | L23-L72 HydrophobicContact CD2-CD2 3.64Å; I46-L72 HydrophobicContact CD1-CD1 4.12Å; I46-L72 HydrophobicContact CD1-CD2 4.28Å; I46-L72 HydrophobicContact CD1-CG 4.49Å; A68-L72 WeakPolarHBondContact O-CB 3.34Å; A68-L72 WeakPolarHBondContact O-CG 3.4Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-L72 VanDerWaalsContact O-N 3.14Å; R69-L72 PolarHBondContact O-N 3.13Å; L70-L72 PolarHBondContact O-N 2.79Å; L72-T74 PolarHBondContact O-N 3.33Å; L72-T74 VanDerWaalsContact O-N 3.1Å; L72-S75 PolarHBondContact O-N 3.27Å; L72-I78 HydrophobicContact CD1-CG2 3.97Å; L72-I78 HydrophobicContact CD2-CB 3.78Å; L72-I78 HydrophobicContact CD2-CD1 4.44Å; L72-I78 HydrophobicContact CD2-CG2 3.65Å; L72-I78 HydrophobicContact CG-CG2 4.47Å; L72-R79 VanDerWaalsContact CD1-C 3.47Å; L72-V80 HydrophobicContact CD1-CB 4.24Å |
| 73 | Q | 98.3 | Very high | 98.6 | Very high | 138 Ų | 138 | 47.2 Ų | 47.2 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.9 | -179.6 | -74.7 | 179.2 | -35.2 | 0 | 0 | 113.8 | R69 L70 | R69-Q73 PolarHBondContact O-N 3.06Å; L70-Q73 WeakPolarHBondContact O-CG 3.48Å; L70-Q73 PolarHBondContact O-N 3.2Å |
| 74 | T | 98.1 | Very high | 98.6 | Very high | 140 Ų | 140 | 45.8 Ų | 45.8 | 86% | 0.859 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 5.5 | 178.7 | 63.3 | 0 | 0 | 0 | 0 | 113 | L72 | L72-T74 PolarHBondContact O-N 3.33Å; L72-T74 VanDerWaalsContact O-N 3.1Å |
| 75 | S | 98.4 | Very high | 98.6 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | trans | -94.6 | 134.5 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | L72 W77 I78 | L72-S75 PolarHBondContact O-N 3.27Å; S75-W77 PolarHBondContact OG-N 3.16Å; S75-I78 WeakPolarHBondContact OG-CB 3.46Å; S75-I78 WeakPolarHBondContact OG-CG1 3.42Å; S75-I78 PolarHBondContact OG-N 3.06Å; S75-I78 VanDerWaalsContact OG-N 3.11Å | ||
| 76 | D | 98 | Very high | 98.6 | Very high | 150 Ų | 150 | 52.1 Ų | 52.1 | 80% | 0.802 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -94.1 | -6.8 | 176.4 | 59.1 | -6.6 | 0 | 0 | 0 | 113.2 | ||
| 77 | W | 98.5 | Very high | 98.6 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -136.5 | -13.3 | -170.4 | 75.9 | -78.9 | 0 | 0 | 0 | 115 | L9 F26 E27 R30 V41 Q43 G44 S75 | L9-W77 HydrophobicContact CD1-CH2 4.18Å; L9-W77 HydrophobicContact CD1-CZ3 4.31Å; F26-W77 HydrophobicContact CB-CH2 3.64Å; F26-W77 HydrophobicContact CB-CZ2 3.64Å; F26-W77 AromaticContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CH2 3.79Å; F26-W77 HydrophobicContact CD1-CZ2 4.49Å; F26-W77 HydrophobicContact CD1-CZ3 4.16Å; F26-W77 HydrophobicContact CG-CH2 4.21Å; F26-W77 WeakPolarHBondContact O-CH2 3.29Å; E27-W77 PolarHBondContact OE1-NE1 2.91Å; R30-W77 HydrophobicContact CB-CH2 3.77Å; R30-W77 HydrophobicContact CB-CZ2 3.97Å; R30-W77 HydrophobicContact CB-CZ3 4.49Å; R30-W77 HydrophobicContact CG-CH2 4.43Å; R30-W77 HydrophobicContact CG-CZ2 4.5Å; R30-W77 VanDerWaalsContact CZ-NE1 3.26Å; V41-W77 HydrophobicContact CG1-CE3 4.06Å; V41-W77 HydrophobicContact CG1-CH2 4.31Å; V41-W77 HydrophobicContact CG1-CZ3 3.53Å; Q43-W77 CarbonylContact C-O 3.48Å; Q43-W77 WeakPolarHBondContact CA-O 3.38Å; G44-W77 VanDerWaalsContact N-CE3 3.35Å; G44-W77 PolarHBondContact N-O 3.07Å; S75-W77 PolarHBondContact OG-N 3.16Å |
| 78 | I | 98.8 | Very high | 98.4 | Very high | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.2 | 179.6 | -48.8 | 165 | 0 | 0 | 0 | 109.2 | F26 G44 I46 L72 S75 | F26-I78 HydrophobicContact CB-CD1 3.45Å; F26-I78 VanDerWaalsContact CB-CD1 3.45Å; F26-I78 HydrophobicContact CB-CG1 4.25Å; F26-I78 HydrophobicContact CD1-CD1 4.16Å; F26-I78 HydrophobicContact CD1-CG1 4.15Å; F26-I78 HydrophobicContact CD1-CG2 4.27Å; F26-I78 HydrophobicContact CD2-CD1 4.28Å; F26-I78 HydrophobicContact CE1-CG2 4.18Å; F26-I78 HydrophobicContact CE2-CG2 4.5Å; F26-I78 HydrophobicContact CG-CD1 3.72Å; F26-I78 HydrophobicContact CG-CG1 4.23Å; F26-I78 HydrophobicContact CG-CG2 4.46Å; F26-I78 HydrophobicContact CZ-CG2 4.29Å; G44-I78 WeakPolarHBondContact O-CA 3.35Å; I46-I78 HydrophobicContact CD1-CG2 4.37Å; I46-I78 HydrophobicContact CG1-CG2 4.12Å; L72-I78 HydrophobicContact CD1-CG2 3.97Å; L72-I78 HydrophobicContact CD2-CB 3.78Å; L72-I78 HydrophobicContact CD2-CD1 4.44Å; L72-I78 HydrophobicContact CD2-CG2 3.65Å; L72-I78 HydrophobicContact CG-CG2 4.47Å; S75-I78 WeakPolarHBondContact OG-CB 3.46Å; S75-I78 WeakPolarHBondContact OG-CG1 3.42Å; S75-I78 PolarHBondContact OG-N 3.06Å; S75-I78 VanDerWaalsContact OG-N 3.11Å |
| 79 | R | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 159.8 | 173 | 65.3 | 178.7 | -176.7 | 86.4 | -0.4 | 111.5 | Q43 G44 I45 I46 L72 D81 | Q43-R79 VanDerWaalsContact NE2-CD 3.3Å; G44-R79 PolarHBondContact O-N 3.09Å; I45-R79 CarbonylContact C-O 3.34Å; I45-R79 WeakPolarHBondContact CA-O 3.5Å; I45-R79 HydrophobicContact CG1-CG 4.49Å; I46-R79 PolarHBondContact N-O 3.03Å; L72-R79 VanDerWaalsContact CD1-C 3.47Å; R79-D81 IonicContact CZ-OD2 3.53Å; R79-D81 IonicContact NH1-OD2 3.52Å; R79-D81 PolarHBondContact NH1-OD2 3.31Å; R79-D81 IonicContact NH2-OD2 3.93Å; R79-D81 PolarHBondContact NH2-OD2 2.86Å |
| 80 | V | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.4 | 165 | 62.7 | 0 | 0 | 0 | 0 | 109.3 | I46 P48 V65 A68 R69 L72 | I46-V80 HydrophobicContact CG2-CG2 4.38Å; I46-V80 WeakPolarHBondContact O-CA 3.47Å; P48-V80 HydrophobicContact CG-CG2 3.96Å; V65-V80 HydrophobicContact CG1-CG2 4.28Å; A68-V80 HydrophobicContact CB-CB 4.12Å; A68-V80 HydrophobicContact CB-CG2 3.82Å; R69-V80 HydrophobicContact CB-CG1 3.91Å; R69-V80 HydrophobicContact CG-CG1 4.34Å; L72-V80 HydrophobicContact CD1-CB 4.24Å |
| 81 | D | 98.7 | Very high | 98.1 | Very high | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -120 | 119.3 | 170.7 | -160 | -49.6 | 0 | 0 | 0 | 109.4 | I45 I46 P48 R79 W83 H100 | I45-D81 HydrophobicContact CG2-CB 3.69Å; I46-D81 PolarHBondContact O-N 2.86Å; P48-D81 WeakPolarHBondContact CD-O 3.16Å; R79-D81 IonicContact CZ-OD2 3.53Å; R79-D81 IonicContact NH1-OD2 3.52Å; R79-D81 PolarHBondContact NH1-OD2 3.31Å; R79-D81 IonicContact NH2-OD2 3.93Å; R79-D81 PolarHBondContact NH2-OD2 2.86Å; D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 VanDerWaalsContact OD1-CB 3.24Å; D81-W83 WeakPolarHBondContact OD1-CB 3.39Å; D81-W83 PolarHBondContact OD1-N 2.91Å; D81-H100 VanDerWaalsContact CG-CE1 3.47Å; D81-H100 IonicContact OD1-CE1 3.26Å; D81-H100 IonicContact OD2-CE1 2.62Å; D81-H100 PolarHBondContact OD2-CE1 2.9Å; D81-H100 IonicContact OD2-ND1 3.4Å | ||
| 82 | P | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | trans | -83.4 | -3.7 | -177.6 | 35.7 | -36.4 | 0 | 0 | 0 | 113.5 | V65 E84 S85 E86 | V65-P82 HydrophobicContact CG1-CB 4.1Å; V65-P82 HydrophobicContact CG2-CB 4.09Å; P82-E84 VanDerWaalsContact C-N 3.32Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å; P82-S85 CarbonylContact O-C 3.6Å; P82-S85 WeakPolarHBondContact O-CA 3.22Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 2.96Å; P82-S85 PolarHBondContact O-OG 3.3Å; P82-E86 HydrophobicContact CB-CG 4.14Å; P82-E86 WeakPolarHBondContact CB-OE1 3.28Å; P82-E86 VanDerWaalsContact CG-OE1 3.3Å; P82-E86 WeakPolarHBondContact CG-OE1 3.19Å; P82-E86 WeakPolarHBondContact O-CG 3.42Å; P82-E86 PolarHBondContact O-N 3.4Å | ||
| 83 | W | 98.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 21% | 0.205 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -51 | -46.5 | -170.5 | 176 | 87.3 | 0 | 0 | 0 | 113.4 | D81 S85 E86 Q87 M91 V96 H99 | D81-W83 VanDerWaalsContact C-N 3.31Å; D81-W83 VanDerWaalsContact OD1-CB 3.24Å; D81-W83 WeakPolarHBondContact OD1-CB 3.39Å; D81-W83 PolarHBondContact OD1-N 2.91Å; W83-S85 VanDerWaalsContact C-N 3.3Å; W83-S85 PolarHBondContact O-N 2.89Å; W83-E86 PolarHBondContact O-N 3.32Å; W83-Q87 HydrophobicContact CH2-CG 4.45Å; W83-Q87 HydrophobicContact CZ2-CG 4.4Å; W83-Q87 WeakPolarHBondContact O-CG 3.29Å; W83-Q87 PolarHBondContact O-N 3.36Å; W83-Q87 PolarHBondContact O-NE2 3.25Å; W83-M91 HydrophobicContact CH2-CE 3.83Å; W83-V96 HydrophobicContact CE3-CG1 4.44Å; W83-V96 HydrophobicContact CZ3-CB 4.39Å; W83-V96 HydrophobicContact CZ3-CG1 4.29Å; W83-V96 HydrophobicContact CZ3-CG2 4.25Å; W83-H99 AromaticContact CD1-CE1 3.53Å; W83-H99 AromaticContact CD1-NE2 3.51Å; W83-H99 HydrophobicContact CD2-CB 4.42Å; W83-H99 AromaticContact CD2-CD2 3.3Å; W83-H99 AromaticContact CD2-CE1 3.81Å; W83-H99 AromaticContact CD2-CG 3.61Å; W83-H99 AromaticContact CD2-ND1 3.91Å; W83-H99 AromaticContact CD2-NE2 3.46Å; W83-H99 AromaticContact CE2-CD2 3.66Å; W83-H99 AromaticContact CE2-CE1 3.54Å; W83-H99 AromaticContact CE2-CG 3.48Å; W83-H99 VanDerWaalsContact CE2-CG 3.48Å; W83-H99 AromaticContact CE2-ND1 3.4Å; W83-H99 AromaticContact CE2-NE2 3.72Å; W83-H99 HydrophobicContact CE3-CB 4.13Å; W83-H99 AromaticContact CE3-CD2 3.46Å; W83-H99 VanDerWaalsContact CE3-CD2 3.46Å; W83-H99 AromaticContact CE3-CG 3.75Å; W83-H99 AromaticContact CG-CD2 3.71Å; W83-H99 AromaticContact CG-CE1 3.82Å; W83-H99 AromaticContact CG-NE2 3.36Å; W83-H99 HydrophobicContact CH2-CB 3.52Å; W83-H99 AromaticContact CH2-CG 3.69Å; W83-H99 HydrophobicContact CZ2-CB 3.83Å; W83-H99 AromaticContact CZ2-CG 3.54Å; W83-H99 AromaticContact CZ2-ND1 3.58Å; W83-H99 HydrophobicContact CZ3-CB 3.7Å; W83-H99 AromaticContact CZ3-CD2 3.96Å; W83-H99 AromaticContact CZ3-CG 3.8Å; W83-H99 AromaticContact NE1-CE1 3.33Å; W83-H99 PolarHBondContact NE1-CE1 2.77Å; W83-H99 VanDerWaalsContact NE1-CE1 3.33Å; W83-H99 AromaticContact NE1-ND1 3.6Å; W83-H99 AromaticContact NE1-NE2 3.7Å |
| 84 | E | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -42.3 | 177.6 | 179.5 | -177.2 | 168.7 | 0 | 0 | 111.7 | S47 V49 N50 P82 E86 Q87 V96 | S47-E84 WeakPolarHBondContact CB-OE2 3.2Å; S47-E84 WeakPolarHBondContact OG-CB 3.31Å; S47-E84 PolarHBondContact OG-OE2 3.14Å; V49-E84 WeakPolarHBondContact CA-OE1 3.46Å; V49-E84 WeakPolarHBondContact CG2-OE1 3.31Å; N50-E84 PolarHBondContact ND2-O 3.46Å; P82-E84 VanDerWaalsContact C-N 3.32Å; P82-E84 PolarHBondContact O-N 2.98Å; P82-E84 VanDerWaalsContact O-N 3.16Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å; E84-Q87 PolarHBondContact O-N 2.99Å; E84-V96 HydrophobicContact CB-CG1 4.3Å; E84-V96 HydrophobicContact CB-CG2 4.3Å; E84-V96 HydrophobicContact CG-CG2 3.87Å |
| 85 | S | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.7 | -23.8 | -178.7 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | P48 N50 P82 W83 | P48-S85 WeakPolarHBondContact O-CB 3.46Å; P48-S85 PolarHBondContact O-N 3.49Å; N50-S85 PolarHBondContact ND2-O 3.26Å; N50-S85 VanDerWaalsContact ND2-O 3.11Å; P82-S85 CarbonylContact O-C 3.6Å; P82-S85 WeakPolarHBondContact O-CA 3.22Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 2.96Å; P82-S85 PolarHBondContact O-OG 3.3Å; W83-S85 VanDerWaalsContact C-N 3.3Å; W83-S85 PolarHBondContact O-N 2.89Å |
| 86 | E | 98.3 | Very high | 98.1 | Very high | 137 Ų | 137 | 53.1 Ų | 53.1 | 64% | 0.64 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -86 | -7.3 | 179.3 | -71.1 | 172.8 | 174.9 | 0 | 0 | 113 | P82 W83 E84 | P82-E86 HydrophobicContact CB-CG 4.14Å; P82-E86 WeakPolarHBondContact CB-OE1 3.28Å; P82-E86 VanDerWaalsContact CG-OE1 3.3Å; P82-E86 WeakPolarHBondContact CG-OE1 3.19Å; P82-E86 WeakPolarHBondContact O-CG 3.42Å; P82-E86 PolarHBondContact O-N 3.4Å; W83-E86 PolarHBondContact O-N 3.32Å; E84-E86 VanDerWaalsContact C-N 3.32Å; E84-E86 PolarHBondContact O-N 2.81Å |
| 87 | Q | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 46 Ų | 46 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -64.8 | 153.3 | 174.1 | -58.6 | -47.7 | -69.4 | 0 | 0 | 111.5 | N50 W83 E84 Q89 M91 | N50-Q87 PolarHBondContact ND2-O 3.25Å; W83-Q87 HydrophobicContact CH2-CG 4.45Å; W83-Q87 HydrophobicContact CZ2-CG 4.4Å; W83-Q87 WeakPolarHBondContact O-CG 3.29Å; W83-Q87 PolarHBondContact O-N 3.36Å; W83-Q87 PolarHBondContact O-NE2 3.25Å; E84-Q87 PolarHBondContact O-N 2.99Å; Q87-Q89 PolarHBondContact O-N 3.01Å; Q87-M91 HydrophobicContact CB-CG 4.11Å; Q87-M91 HydrophobicContact CG-CG 3.84Å |
| 88 | T | 96 | Very high | 98.2 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 73% | 0.73 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -71.2 | -17.7 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | N52 | N52-T88 PolarHBondContact ND2-O 2.8Š|
| 89 | Q | 95.9 | Very high | 98.1 | Very high | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -137.1 | 161.9 | -175.9 | -33.5 | -172.9 | -7.6 | 0 | 0 | 109.9 | Q87 | Q87-Q89 PolarHBondContact O-N 3.01Š|
| 90 | W | 96.7 | Very high | 98.1 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 38% | 0.375 | 22% | 0.222 | S | C | . | . | trans | -61.8 | 142.5 | 166.7 | 171.8 | 71.2 | 0 | 0 | 0 | 111.3 | Y53 E92 | Y53-W90 AromaticContact CD2-CD1 3.5Å; Y53-W90 HydrophobicContact CD2-CD2 4.37Å; Y53-W90 AromaticContact CD2-CE2 3.89Å; Y53-W90 HydrophobicContact CD2-CG 4.13Å; Y53-W90 AromaticContact CD2-NE1 3.33Å; Y53-W90 VanDerWaalsContact CD2-NE1 3.33Å; Y53-W90 AromaticContact CE2-NE1 3.9Å; W90-E92 HydrophobicContact CH2-CB 4.38Å; W90-E92 HydrophobicContact CH2-CG 3.66Å; W90-E92 HydrophobicContact CZ2-CG 4.41Å; W90-E92 HydrophobicContact CZ3-CG 3.85Å | ||
| 91 | M | 97.4 | Very high | 98 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 18% | 0.177 | 23% | 0.231 | C | C | . | . | trans | -116.7 | 131.9 | -178.6 | -66.5 | -65.8 | -83.6 | 0 | 0 | 110.6 | W83 Q87 K95 V96 | W83-M91 HydrophobicContact CH2-CE 3.83Å; Q87-M91 HydrophobicContact CB-CG 4.11Å; Q87-M91 HydrophobicContact CG-CG 3.84Å; M91-K95 HydrophobicContact CE-CB 3.82Å; M91-K95 HydrophobicContact CE-CD 3.86Å; M91-K95 HydrophobicContact CE-CG 4.49Å; M91-K95 HydrophobicContact SD-CD 4.32Å; M91-V96 HydrophobicContact CB-CG2 4.07Å | ||
| 92 | E | 98 | Very high | 97.9 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | trans | -61 | 140.5 | 168.8 | -62.9 | 101.6 | 133.4 | 0 | 0 | 110.8 | W90 V94 K95 V96 K149 H152 | W90-E92 HydrophobicContact CH2-CB 4.38Å; W90-E92 HydrophobicContact CH2-CG 3.66Å; W90-E92 HydrophobicContact CZ2-CG 4.41Å; W90-E92 HydrophobicContact CZ3-CG 3.85Å; E92-V94 HydrophobicContact CB-CG1 4.32Å; E92-V94 PolarHBondContact O-N 2.89Å; E92-V94 VanDerWaalsContact O-N 3.08Å; E92-K95 WeakPolarHBondContact O-CA 3.5Å; E92-K95 WeakPolarHBondContact O-CB 3.24Å; E92-K95 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.77Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.31Å; E92-K95 IonicContact OE2-NZ 3.62Å; E92-K95 PolarHBondContact OE2-NZ 3.48Å; E92-V96 PolarHBondContact O-N 3.46Å; E92-K149 IonicContact OE1-NZ 3.6Å; E92-K149 PolarHBondContact OE1-NZ 3.48Å; E92-H152 IonicContact OE1-CE1 2.97Å | ||
| 93 | T | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 53 Ų | 53 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.5 | -36.5 | -177.1 | -54.8 | 0 | 0 | 0 | 0 | 113.8 | C12 K95 V96 L97 L132 | C12-T93 HydrophobicContact CB-CG2 4.19Å; T93-K95 PolarHBondContact O-N 3.01Å; T93-V96 WeakPolarHBondContact O-CB 3.29Å; T93-V96 PolarHBondContact O-N 3.03Å; T93-V96 VanDerWaalsContact O-N 3.14Å; T93-L97 HydrophobicContact CG2-CD1 4.33Å; T93-L97 PolarHBondContact O-N 3.01Å; T93-L132 HydrophobicContact CG2-CD1 3.73Å; T93-L132 HydrophobicContact CG2-CD2 4.03Å |
| 94 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -33.4 | 176.2 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | E92 L97 R98 H152 E155 I156 F160 | E92-V94 HydrophobicContact CB-CG1 4.32Å; E92-V94 PolarHBondContact O-N 2.89Å; E92-V94 VanDerWaalsContact O-N 3.08Å; V94-L97 PolarHBondContact O-N 2.9Å; V94-R98 VanDerWaalsContact O-CG 3.29Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.45Å; V94-H152 HydrophobicContact CB-CB 4.3Å; V94-H152 HydrophobicContact CG1-CB 3.99Å; V94-E155 HydrophobicContact CG2-CB 4.04Å; V94-E155 HydrophobicContact CG2-CG 3.82Å; V94-I156 HydrophobicContact CB-CD1 4.26Å; V94-I156 HydrophobicContact CB-CG1 4.03Å; V94-I156 HydrophobicContact CG2-CG1 4.14Å; V94-F160 HydrophobicContact CG2-CE2 4.31Å |
| 95 | K | 98.6 | Very high | 97 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 177 | -62.9 | 178.1 | 177.4 | 165.6 | 0 | 111.4 | M91 E92 T93 R98 H99 | M91-K95 HydrophobicContact CE-CB 3.82Å; M91-K95 HydrophobicContact CE-CD 3.86Å; M91-K95 HydrophobicContact CE-CG 4.49Å; M91-K95 HydrophobicContact SD-CD 4.32Å; E92-K95 WeakPolarHBondContact O-CA 3.5Å; E92-K95 WeakPolarHBondContact O-CB 3.24Å; E92-K95 PolarHBondContact O-N 3.47Å; E92-K95 IonicContact OE1-NZ 2.77Å; E92-K95 WeakPolarHBondContact OE2-CD 3.36Å; E92-K95 WeakPolarHBondContact OE2-CE 3.31Å; E92-K95 IonicContact OE2-NZ 3.62Å; E92-K95 PolarHBondContact OE2-NZ 3.48Å; T93-K95 PolarHBondContact O-N 3.01Å; K95-R98 PolarHBondContact O-N 2.75Å; K95-H99 PolarHBondContact O-N 3.3Å |
| 96 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 174 | -170 | 0 | 0 | 0 | 0 | 110.6 | L10 W83 E84 M91 E92 T93 H99 H100 | L10-V96 HydrophobicContact CD2-CG1 4.17Å; W83-V96 HydrophobicContact CE3-CG1 4.44Å; W83-V96 HydrophobicContact CZ3-CB 4.39Å; W83-V96 HydrophobicContact CZ3-CG1 4.29Å; W83-V96 HydrophobicContact CZ3-CG2 4.25Å; E84-V96 HydrophobicContact CB-CG1 4.3Å; E84-V96 HydrophobicContact CB-CG2 4.3Å; E84-V96 HydrophobicContact CG-CG2 3.87Å; M91-V96 HydrophobicContact CB-CG2 4.07Å; E92-V96 PolarHBondContact O-N 3.46Å; T93-V96 WeakPolarHBondContact O-CB 3.29Å; T93-V96 PolarHBondContact O-N 3.03Å; T93-V96 VanDerWaalsContact O-N 3.14Å; V96-H99 PolarHBondContact O-N 3.23Å; V96-H100 PolarHBondContact O-CD2 3.06Å; V96-H100 PolarHBondContact O-N 2.96Å |
| 97 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 172.2 | -76.8 | 160.8 | 0 | 0 | 0 | 112 | L10 T93 V94 H99 H100 H101 L130 L132 I156 F160 | L10-L97 HydrophobicContact CB-CD2 4.48Å; L10-L97 HydrophobicContact CD2-CD2 3.69Å; L10-L97 HydrophobicContact CD2-CG 3.99Å; T93-L97 HydrophobicContact CG2-CD1 4.33Å; T93-L97 PolarHBondContact O-N 3.01Å; V94-L97 PolarHBondContact O-N 2.9Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.35Å; L97-H100 PolarHBondContact O-N 2.87Å; L97-H101 VanDerWaalsContact O-CB 3.25Å; L97-H101 WeakPolarHBondContact O-CB 3.24Å; L97-H101 PolarHBondContact O-N 3.29Å; L97-L130 HydrophobicContact CB-CD2 4.45Å; L97-L130 HydrophobicContact CD2-CD2 3.84Å; L97-L130 HydrophobicContact CD2-CG 3.99Å; L97-L130 WeakPolarHBondContact O-CD2 3.5Å; L97-L132 HydrophobicContact CD1-CB 4.26Å; L97-L132 HydrophobicContact CD2-CB 4.25Å; L97-I156 HydrophobicContact CD1-CB 4.49Å; L97-I156 HydrophobicContact CD1-CG1 3.81Å; L97-I156 HydrophobicContact CD1-CG2 4.24Å; L97-F160 HydrophobicContact CB-CD1 4.07Å; L97-F160 HydrophobicContact CB-CD2 4Å; L97-F160 HydrophobicContact CB-CE1 3.92Å; L97-F160 HydrophobicContact CB-CE2 3.82Å; L97-F160 HydrophobicContact CB-CG 4.11Å; L97-F160 HydrophobicContact CB-CZ 3.78Å; L97-F160 HydrophobicContact CD1-CD2 4.03Å; L97-F160 HydrophobicContact CD1-CE2 4.5Å; L97-F160 HydrophobicContact CD1-CG 4.25Å; L97-F160 HydrophobicContact CD2-CB 4.3Å; L97-F160 HydrophobicContact CD2-CD1 4.3Å; L97-F160 HydrophobicContact CD2-CG 4.19Å; L97-F160 HydrophobicContact CG-CD2 4.48Å; L97-F160 HydrophobicContact CG-CG 4.43Å |
| 98 | R | 98.6 | Very high | 94.4 | Very high | 96 Ų | 96 | 60 Ų | 60 | 36% | 0.362 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 176.2 | -72 | 171 | -170.4 | 162.4 | 0.5 | 112.3 | V94 K95 S102 E155 F160 | V94-R98 VanDerWaalsContact O-CG 3.29Å; V94-R98 WeakPolarHBondContact O-CG 3.23Å; V94-R98 PolarHBondContact O-N 3.45Å; K95-R98 PolarHBondContact O-N 2.75Å; R98-S102 WeakPolarHBondContact O-CB 3.38Å; R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.94Å; R98-E155 IonicContact CZ-OE1 3.56Å; R98-E155 IonicContact CZ-OE2 2.67Å; R98-E155 IonicContact NE-OE1 3.62Å; R98-E155 PolarHBondContact NE-OE1 3.4Å; R98-E155 IonicContact NE-OE2 3.75Å; R98-E155 VanDerWaalsContact NH2-CD 3.3Å; R98-E155 IonicContact NH2-OE1 2.94Å; R98-E155 PolarHBondContact NH2-OE1 3.23Å; R98-E155 IonicContact NH2-OE2 3.74Å; R98-E155 PolarHBondContact NH2-OE2 3.42Å; R98-F160 HydrophobicContact CG-CE2 4.45Å; R98-F160 HydrophobicContact CG-CZ 3.91Å |
| 99 | H | 98.4 | Very high | 93 | Very high | 42 Ų | 42 | 56.7 Ų | 56.7 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -56.3 | 177.6 | 169.5 | 71.4 | 0 | 0 | 0 | 111.2 | W83 K95 V96 L97 H101 S102 E103 | W83-H99 AromaticContact CD1-CE1 3.53Å; W83-H99 AromaticContact CD1-NE2 3.51Å; W83-H99 HydrophobicContact CD2-CB 4.42Å; W83-H99 AromaticContact CD2-CD2 3.3Å; W83-H99 AromaticContact CD2-CE1 3.81Å; W83-H99 AromaticContact CD2-CG 3.61Å; W83-H99 AromaticContact CD2-ND1 3.91Å; W83-H99 AromaticContact CD2-NE2 3.46Å; W83-H99 AromaticContact CE2-CD2 3.66Å; W83-H99 AromaticContact CE2-CE1 3.54Å; W83-H99 AromaticContact CE2-CG 3.48Å; W83-H99 VanDerWaalsContact CE2-CG 3.48Å; W83-H99 AromaticContact CE2-ND1 3.4Å; W83-H99 AromaticContact CE2-NE2 3.72Å; W83-H99 HydrophobicContact CE3-CB 4.13Å; W83-H99 AromaticContact CE3-CD2 3.46Å; W83-H99 VanDerWaalsContact CE3-CD2 3.46Å; W83-H99 AromaticContact CE3-CG 3.75Å; W83-H99 AromaticContact CG-CD2 3.71Å; W83-H99 AromaticContact CG-CE1 3.82Å; W83-H99 AromaticContact CG-NE2 3.36Å; W83-H99 HydrophobicContact CH2-CB 3.52Å; W83-H99 AromaticContact CH2-CG 3.69Å; W83-H99 HydrophobicContact CZ2-CB 3.83Å; W83-H99 AromaticContact CZ2-CG 3.54Å; W83-H99 AromaticContact CZ2-ND1 3.58Å; W83-H99 HydrophobicContact CZ3-CB 3.7Å; W83-H99 AromaticContact CZ3-CD2 3.96Å; W83-H99 AromaticContact CZ3-CG 3.8Å; W83-H99 AromaticContact NE1-CE1 3.33Å; W83-H99 PolarHBondContact NE1-CE1 2.77Å; W83-H99 VanDerWaalsContact NE1-CE1 3.33Å; W83-H99 AromaticContact NE1-ND1 3.6Å; W83-H99 AromaticContact NE1-NE2 3.7Å; K95-H99 PolarHBondContact O-N 3.3Å; V96-H99 PolarHBondContact O-N 3.23Å; L97-H99 VanDerWaalsContact C-N 3.31Å; L97-H99 PolarHBondContact O-N 3.35Å; H99-H101 VanDerWaalsContact C-N 3.3Å; H99-H101 PolarHBondContact O-N 3.31Å; H99-S102 WeakPolarHBondContact O-CB 3.39Å; H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 VanDerWaalsContact O-N 3.09Å; H99-E103 PolarHBondContact O-N 3.22Å |
| 100 | H | 97.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -33.3 | -178.8 | -72.9 | -56.3 | 0 | 0 | 0 | 113 | D81 V96 L97 S102 E103 L104 L130 | D81-H100 VanDerWaalsContact CG-CE1 3.47Å; D81-H100 IonicContact OD1-CE1 3.26Å; D81-H100 IonicContact OD2-CE1 2.62Å; D81-H100 PolarHBondContact OD2-CE1 2.9Å; D81-H100 IonicContact OD2-ND1 3.4Å; V96-H100 PolarHBondContact O-CD2 3.06Å; V96-H100 PolarHBondContact O-N 2.96Å; L97-H100 PolarHBondContact O-N 2.87Å; H100-S102 VanDerWaalsContact C-N 3.34Å; H100-E103 PolarHBondContact O-N 3.38Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.48Å; H100-L104 PolarHBondContact O-N 3.42Å; H100-L130 HydrophobicContact CB-CD2 3.78Å |
| 101 | H | 96.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 173.6 | -177.3 | -95.3 | 0 | 0 | 0 | 111.9 | L97 H99 E103 L104 L105 L130 F160 | L97-H101 VanDerWaalsContact O-CB 3.25Å; L97-H101 WeakPolarHBondContact O-CB 3.24Å; L97-H101 PolarHBondContact O-N 3.29Å; H99-H101 VanDerWaalsContact C-N 3.3Å; H99-H101 PolarHBondContact O-N 3.31Å; H101-E103 VanDerWaalsContact C-N 3.34Å; H101-L104 PolarHBondContact O-N 2.82Å; H101-L105 WeakPolarHBondContact O-CG 3.3Å; H101-L105 PolarHBondContact O-N 3.32Å; H101-L130 HydrophobicContact CB-CD2 3.97Å; H101-F160 HydrophobicContact CB-CE1 3.73Å; H101-F160 AromaticContact CG-CE1 3.99Å |
| 102 | S | 96.2 | Very high | 86.9 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | R98 H99 H100 L105 R106 | R98-S102 WeakPolarHBondContact O-CB 3.38Å; R98-S102 PolarHBondContact O-N 2.85Å; R98-S102 PolarHBondContact O-OG 2.94Å; H99-S102 WeakPolarHBondContact O-CB 3.39Å; H99-S102 PolarHBondContact O-N 3.09Å; H99-S102 VanDerWaalsContact O-N 3.09Å; H100-S102 VanDerWaalsContact C-N 3.34Å; S102-L105 PolarHBondContact O-N 2.88Å; S102-R106 WeakPolarHBondContact O-CB 3.49Å; S102-R106 PolarHBondContact O-N 2.94Å |
| 103 | E | 94.6 | Very high | 84.4 | Confident | 71 Ų | 71 | 68.1 Ų | 68.1 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.5 | -73.9 | -63.5 | 99 | 0 | 0 | 112.4 | H99 H100 H101 L105 R106 S107 | H99-E103 PolarHBondContact O-N 3.22Å; H100-E103 PolarHBondContact O-N 3.38Å; H101-E103 VanDerWaalsContact C-N 3.34Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-R106 IonicContact OE1-CZ 3.52Å; E103-R106 IonicContact OE1-NE 3.94Å; E103-R106 PolarHBondContact OE1-NE 2.71Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.39Å; E103-R106 IonicContact OE2-NE 3.99Å; E103-R106 IonicContact OE2-NH2 3.33Å; E103-R106 PolarHBondContact OE2-NH2 3.33Å; E103-S107 PolarHBondContact O-N 2.99Å |
| 104 | L | 91.7 | Very high | 81.8 | Confident | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 174.5 | -71 | 171.7 | 0 | 0 | 0 | 112.7 | V8 H100 H101 P108 L130 | V8-L104 HydrophobicContact CB-CD1 4Å; V8-L104 HydrophobicContact CG1-CD1 4.43Å; V8-L104 HydrophobicContact CG2-CD1 3.82Å; V8-L104 HydrophobicContact CG2-CD2 3.81Å; V8-L104 HydrophobicContact CG2-CG 4.49Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.48Å; H100-L104 PolarHBondContact O-N 3.42Å; H101-L104 PolarHBondContact O-N 2.82Å; L104-P108 WeakPolarHBondContact O-CA 3.41Å; L104-L130 HydrophobicContact CD1-CB 4.09Å; L104-L130 HydrophobicContact CD1-CD1 4.14Å |
| 105 | L | 89.8 | Confident | 79.1 | Confident | 96 Ų | 96 | 80.1 Ų | 80.1 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 173.3 | -71.9 | 169.3 | 0 | 0 | 0 | 112.2 | H101 S102 E103 V127 | H101-L105 WeakPolarHBondContact O-CG 3.3Å; H101-L105 PolarHBondContact O-N 3.32Å; S102-L105 PolarHBondContact O-N 2.88Å; E103-L105 VanDerWaalsContact C-N 3.31Å; E103-L105 PolarHBondContact O-N 2.86Å; L105-V127 HydrophobicContact CD2-CB 4.26Å; L105-V127 HydrophobicContact CD2-CG1 3.55Å; L105-V127 HydrophobicContact CD2-CG2 3.82Å; L105-V127 HydrophobicContact CG-CG1 4.27Å |
| 106 | R | 87.8 | Confident | 76.7 | Confident | 164 Ų | 164 | 86.4 Ų | 86.4 | 62% | 0.619 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -77.4 | -33.8 | -178.2 | -169.3 | -177.5 | 67.8 | 73.4 | 2.8 | 112.8 | S102 E103 | S102-R106 WeakPolarHBondContact O-CB 3.49Å; S102-R106 PolarHBondContact O-N 2.94Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-R106 IonicContact OE1-CZ 3.52Å; E103-R106 IonicContact OE1-NE 3.94Å; E103-R106 PolarHBondContact OE1-NE 2.71Å; E103-R106 IonicContact OE1-NH2 2.71Å; E103-R106 IonicContact OE2-CZ 3.39Å; E103-R106 IonicContact OE2-NE 3.99Å; E103-R106 IonicContact OE2-NH2 3.33Å; E103-R106 PolarHBondContact OE2-NH2 3.33Å |
| 107 | S | 80.9 | Confident | 74 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -144.1 | 74.1 | -173.5 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | E103 | E103-S107 PolarHBondContact O-N 2.99Š|
| 108 | P | 72.8 | Confident | 71.2 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 136.9 | 179.3 | 23.8 | -31.9 | 0 | 0 | 0 | 109.5 | L104 Q110 | L104-P108 WeakPolarHBondContact O-CA 3.41Å; P108-Q110 PolarHBondContact O-N 2.89Å |
| 109 | P | 66.4 | Low | 68.5 | Low | 49 Ų | 49 | 99.1 Ų | 99.1 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -58 | 133.6 | 178.2 | 20.1 | -29.6 | 0 | 0 | 0 | 110.5 | I42 M111 P128 | I42-P109 HydrophobicContact CD1-CB 4.31Å; I42-P109 HydrophobicContact CD1-CG 3.34Å; P109-M111 PolarHBondContact O-N 2.87Å; P109-P128 HydrophobicContact CG-CG 4.01Å |
| 110 | Q | 60.8 | Low | 65.9 | Low | 180 Ų | 180 | 104.5 Ų | 104.5 | 84% | 0.841 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.6 | 173.6 | -67.6 | -175.3 | -9.8 | 0 | 0 | 108.2 | P108 E112 | P108-Q110 PolarHBondContact O-N 2.89Å; Q110-E112 PolarHBondContact O-N 3.16Å; Q110-E112 VanDerWaalsContact O-N 3.09Å |
| 111 | M | 55.5 | Low | 63.2 | Low | 119 Ų | 119 | 108.7 Ų | 108.7 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | trans | -72.4 | 101.1 | 170.6 | -75.2 | -149.9 | -132.1 | 0 | 0 | 108.4 | P109 G113 A125 | P109-M111 PolarHBondContact O-N 2.87Å; M111-G113 PolarHBondContact O-N 2.71Å; M111-G113 VanDerWaalsContact O-N 3.09Å; M111-A125 HydrophobicContact CE-CB 4.48Å | ||
| 112 | E | 45.1 | Very low | 60.5 | Low | 183 Ų | 183 | 112 Ų | 112 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | trans | -71.7 | 99.4 | 164 | -71.5 | -167.3 | 164.5 | 0 | 0 | 108.3 | Q110 | Q110-E112 PolarHBondContact O-N 3.16Å; Q110-E112 VanDerWaalsContact O-N 3.09Å | ||
| 113 | G | 45.4 | Very low | 58.2 | Low | 57 Ų | 57 | 114.3 Ų | 114.3 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | trans | -74.8 | 143.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | M111 D115 | M111-G113 PolarHBondContact O-N 2.71Å; M111-G113 VanDerWaalsContact O-N 3.09Å; G113-D115 PolarHBondContact O-N 2.96Å | ||
| 114 | P | 43.7 | Very low | 56 | Low | 136 Ų | 136 | 117 Ų | 117 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -77.3 | 72.3 | 169.9 | 33.3 | -31.8 | 0 | 0 | 0 | 108.6 | ||
| 115 | D | 41.6 | Very low | 54.6 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -155.9 | 95.5 | 168.3 | -135.4 | -4.2 | 0 | 0 | 0 | 111.3 | G113 G117 | G113-D115 PolarHBondContact O-N 2.96Å; D115-G117 PolarHBondContact O-N 3Å; D115-G117 VanDerWaalsContact O-N 3.07Å | ||
| 116 | H | 49.8 | Very low | 53.8 | Low | 205 Ų | 205 | 118.1 Ų | 118.1 | 95% | 0.949 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 101.7 | 162.7 | -70.9 | -60.1 | 0 | 0 | 0 | 108.4 | ||
| 117 | G | 41.3 | Very low | 53.7 | Low | 74 Ų | 74 | 113.7 Ų | 113.7 | 76% | 0.763 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.2 | 11.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | D115 | D115-G117 PolarHBondContact O-N 3Å; D115-G117 VanDerWaalsContact O-N 3.07Å |
| 118 | K | 39.5 | Very low | 54.2 | Low | 176 Ų | 176 | 111 Ų | 111 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | trans | -132.8 | 108.7 | 165.6 | -85 | -178.1 | 178.3 | 171.5 | 0 | 111.9 | L120 | K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 3.2Å | ||
| 119 | A | 42.9 | Very low | 55.4 | Low | 113 Ų | 113 | 110.5 Ų | 110.5 | 93% | 0.934 | 66% | 0.662 | S | S | * | * | trans | -61.1 | 90.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 120 | L | 43.1 | Very low | 56.9 | Low | 155 Ų | 155 | 108.2 Ų | 108.2 | 81% | 0.812 | 65% | 0.647 | S | S | * | * | trans | -78.5 | 127.5 | 162.3 | -81 | 153.9 | 0 | 0 | 0 | 107.3 | K118 | K118-L120 VanDerWaalsContact C-N 3.27Å; K118-L120 PolarHBondContact O-N 3.2Å | ||
| 121 | S | 40.8 | Very low | 58.7 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | trans | -43.3 | 140.4 | 172.7 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | T123 | S121-T123 PolarHBondContact O-N 3.1Š| ||
| 122 | P | 41 | Very low | 60.8 | Low | 129 Ų | 129 | 94.3 Ų | 94.3 | 84% | 0.838 | 58% | 0.581 | S | S | * | * | trans | -70.5 | 93.3 | -178.5 | 29 | -31.8 | 0 | 0 | 0 | 109.3 | ||||
| 123 | T | 46.9 | Very low | 63.3 | Low | 115 Ų | 115 | 85.8 Ų | 85.8 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | trans | -55.6 | 134 | 152.5 | 35.3 | 0 | 0 | 0 | 0 | 107.1 | S121 A125 | S121-T123 PolarHBondContact O-N 3.1Å; T123-A125 PolarHBondContact O-N 3.14Å | ||
| 124 | P | 50.5 | Low | 65.8 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 83% | 0.825 | 52% | 0.516 | S | S | * | . | trans | -53.8 | 110.9 | 174.6 | -19.7 | 29.3 | 0 | 0 | 0 | 107.7 | A126 | P124-A126 PolarHBondContact O-N 2.64Å; P124-A126 VanDerWaalsContact O-N 3.09Å | ||
| 125 | A | 61.4 | Low | 68.2 | Low | 63 Ų | 63 | 77.1 Ų | 77.1 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 121 | 176.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | M111 T123 V127 | M111-A125 HydrophobicContact CE-CB 4.48Å; T123-A125 PolarHBondContact O-N 3.14Å; A125-V127 PolarHBondContact O-N 3.28Å |
| 126 | A | 72.9 | Confident | 70.7 | Confident | 68 Ų | 68 | 70.5 Ų | 70.5 | 56% | 0.562 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 130.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P6 P124 | P6-A126 WeakPolarHBondContact CG-O 3.43Å; P124-A126 PolarHBondContact O-N 2.64Å; P124-A126 VanDerWaalsContact O-N 3.09Å |
| 127 | V | 84.7 | Confident | 72.7 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 129.1 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | L105 A125 E129 | L105-V127 HydrophobicContact CD2-CB 4.26Å; L105-V127 HydrophobicContact CD2-CG1 3.55Å; L105-V127 HydrophobicContact CD2-CG2 3.82Å; L105-V127 HydrophobicContact CG-CG1 4.27Å; A125-V127 PolarHBondContact O-N 3.28Å; V127-E129 PolarHBondContact O-N 3.49Å |
| 128 | P | 93.2 | Very high | 75.2 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.045 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.6 | 177.4 | -22.6 | 32.8 | 0 | 0 | 0 | 112 | P6 V8 I42 P109 | P6-P128 HydrophobicContact CB-CB 4.08Å; P6-P128 HydrophobicContact CB-CG 4.19Å; P6-P128 HydrophobicContact CG-CB 4.36Å; P6-P128 HydrophobicContact CG-CG 4.32Å; P6-P128 CarbonylContact O-C 3.49Å; P6-P128 VanDerWaalsContact O-CA 3.28Å; P6-P128 WeakPolarHBondContact O-CA 3.46Å; V8-P128 HydrophobicContact CG2-CB 4.09Å; I42-P128 HydrophobicContact CD1-CB 3.91Å; I42-P128 HydrophobicContact CD1-CG 3.65Å; P109-P128 HydrophobicContact CG-CG 4.01Å |
| 129 | E | 96.9 | Very high | 77.9 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 138.5 | 167.2 | -71.1 | -174.5 | -162.6 | 0 | 0 | 109.6 | I5 P6 V7 V8 V127 K131 | I5-E129 HydrophobicContact CG2-CB 4.45Å; I5-E129 HydrophobicContact CG2-CG 3.82Å; P6-E129 PolarHBondContact O-N 3.22Å; V7-E129 CarbonylContact C-O 3.51Å; V7-E129 VanDerWaalsContact CA-O 3.3Å; V7-E129 WeakPolarHBondContact CA-O 3.4Å; V7-E129 HydrophobicContact CG2-CB 4.38Å; V8-E129 PolarHBondContact N-O 3.34Å; V127-E129 PolarHBondContact O-N 3.49Å; E129-K131 WeakPolarHBondContact OE2-CE 3.5Å; E129-K131 IonicContact OE2-NZ 2.74Å; E129-K131 PolarHBondContact OE2-NZ 2.75Å |
| 130 | L | 98.4 | Very high | 80.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.6 | 171 | -178.2 | 67.8 | 0 | 0 | 0 | 109 | V8 L10 L97 H100 H101 L104 F160 | V8-L130 HydrophobicContact CB-CD1 3.87Å; V8-L130 HydrophobicContact CG1-CD1 3.76Å; L10-L130 HydrophobicContact CB-CD1 4.01Å; L97-L130 HydrophobicContact CB-CD2 4.45Å; L97-L130 HydrophobicContact CD2-CD2 3.84Å; L97-L130 HydrophobicContact CD2-CG 3.99Å; L97-L130 WeakPolarHBondContact O-CD2 3.5Å; H100-L130 HydrophobicContact CB-CD2 3.78Å; H101-L130 HydrophobicContact CB-CD2 3.97Å; L104-L130 HydrophobicContact CD1-CB 4.09Å; L104-L130 HydrophobicContact CD1-CD1 4.14Å; L130-F160 HydrophobicContact CB-CD1 4.38Å; L130-F160 HydrophobicContact CD2-CD1 4.37Å; L130-F160 CarbonylContact O-C 3.58Å; L130-F160 WeakPolarHBondContact O-CA 3.4Å; L130-F160 WeakPolarHBondContact O-CB 3.44Å; L130-F160 VanDerWaalsContact O-O 3.1Å |
| 131 | K | 98.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.3 | 176.7 | -58.9 | -164.8 | 179.6 | -59.7 | 0 | 111.5 | V7 V8 L9 L10 E129 L133 F160 V163 N188 | V7-K131 HydrophobicContact CG1-CB 4.41Å; V7-K131 HydrophobicContact CG1-CD 4.25Å; V7-K131 HydrophobicContact CG1-CG 4.04Å; V8-K131 PolarHBondContact O-N 3.35Å; L9-K131 HydrophobicContact CD2-CB 4.23Å; L10-K131 PolarHBondContact N-O 2.88Å; E129-K131 WeakPolarHBondContact OE2-CE 3.5Å; E129-K131 IonicContact OE2-NZ 2.74Å; E129-K131 PolarHBondContact OE2-NZ 2.75Å; K131-L133 PolarHBondContact O-N 2.92Å; K131-F160 PolarHBondContact NZ-O 3.25Å; K131-V163 HydrophobicContact CB-CG2 4.06Å; K131-V163 HydrophobicContact CD-CG2 3.99Å; K131-N188 PolarHBondContact NZ-OD1 2.83Å |
| 132 | L | 98.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.1 | 172.1 | -175.8 | 67.3 | 0 | 0 | 0 | 109.6 | L10 T93 L97 I156 G161 L162 V163 | L10-L132 CarbonylContact O-C 3.48Å; T93-L132 HydrophobicContact CG2-CD1 3.73Å; T93-L132 HydrophobicContact CG2-CD2 4.03Å; L97-L132 HydrophobicContact CD1-CB 4.26Å; L97-L132 HydrophobicContact CD2-CB 4.25Å; L132-I156 HydrophobicContact CB-CG2 4.45Å; L132-I156 HydrophobicContact CD2-CG2 3.9Å; L132-G161 PolarHBondContact N-O 2.94Å; L132-L162 HydrophobicContact CD2-CD1 4.27Å; L132-L162 CarbonylContact O-C 3.57Å; L132-L162 WeakPolarHBondContact O-CA 3.37Å; L132-V163 PolarHBondContact O-N 3.49Å |
| 133 | L | 98.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.1 | 171.8 | 173.4 | 59.9 | 0 | 0 | 0 | 109.9 | L9 L10 A11 L25 F26 A29 K131 V163 V165 | L9-L133 HydrophobicContact CB-CB 4.4Å; L10-L133 PolarHBondContact O-N 2.61Å; A11-L133 HydrophobicContact CB-CB 4.32Å; A11-L133 HydrophobicContact CB-CD2 4.42Å; A11-L133 HydrophobicContact CB-CG 4.46Å; L25-L133 HydrophobicContact CB-CD2 4.28Å; F26-L133 HydrophobicContact CB-CD2 4.23Å; F26-L133 HydrophobicContact CD1-CD2 3.57Å; F26-L133 HydrophobicContact CD2-CD2 3.77Å; F26-L133 HydrophobicContact CE1-CD2 3.76Å; F26-L133 HydrophobicContact CE2-CD2 3.94Å; F26-L133 HydrophobicContact CG-CD2 3.58Å; F26-L133 HydrophobicContact CZ-CD2 3.94Å; A29-L133 HydrophobicContact CB-CD1 3.48Å; A29-L133 VanDerWaalsContact CB-CD1 3.48Å; A29-L133 HydrophobicContact CB-CD2 4.36Å; K131-L133 PolarHBondContact O-N 2.92Å; L133-V163 WeakPolarHBondContact CA-O 3.19Å; L133-V163 HydrophobicContact CD1-CB 4.36Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; L133-V163 WeakPolarHBondContact CD1-O 3.44Å; L133-V165 HydrophobicContact CD1-CG2 4.01Å |
| 134 | C | 97.3 | Very high | 89.8 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 168.4 | 174.8 | 71.8 | 0 | 0 | 0 | 0 | 113 | V138 V163 C164 V165 | C134-V138 HydrophobicContact CB-CB 3.76Å; C134-V138 HydrophobicContact CB-CG1 3.88Å; C134-V138 HydrophobicContact CB-CG2 4.13Å; C134-V163 PolarHBondContact N-O 3.34Å; C134-C164 WeakPolarHBondContact O-CA 3.33Å; C134-V165 PolarHBondContact O-N 2.71Å |
| 135 | G | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 162.6 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | D137 V138 L139 V165 | G135-D137 VanDerWaalsContact C-OD1 3.23Å; G135-D137 VanDerWaalsContact CA-OD1 3.32Å; G135-D137 WeakPolarHBondContact CA-OD1 3.46Å; G135-D137 PolarHBondContact O-N 2.94Å; G135-D137 VanDerWaalsContact O-N 3.12Å; G135-V138 WeakPolarHBondContact O-CB 3.48Å; G135-V138 PolarHBondContact O-N 3.49Å; G135-L139 PolarHBondContact O-N 3.11Å; G135-V165 WeakPolarHBondContact CA-O 3.39Å |
| 136 | A | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.5 | -26.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L139 K140 C164 V165 R167 H170 P172 | A136-L139 PolarHBondContact O-N 2.68Å; A136-K140 PolarHBondContact O-N 3.37Å; A136-K140 VanDerWaalsContact O-N 3.12Å; A136-C164 WeakPolarHBondContact CA-SG 3.3Å; A136-V165 PolarHBondContact N-O 3.31Å; A136-R167 HydrophobicContact CB-CB 4.31Å; A136-H170 HydrophobicContact CB-CB 3.54Å; A136-P172 HydrophobicContact CB-CG 3.72Å |
| 137 | D | 91.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 44 Ų | 44 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 172.7 | 58.2 | -44.6 | 0 | 0 | 0 | 112.3 | G135 K140 T141 R167 H170 | G135-D137 VanDerWaalsContact C-OD1 3.23Å; G135-D137 VanDerWaalsContact CA-OD1 3.32Å; G135-D137 WeakPolarHBondContact CA-OD1 3.46Å; G135-D137 PolarHBondContact O-N 2.94Å; G135-D137 VanDerWaalsContact O-N 3.12Å; D137-K140 WeakPolarHBondContact O-CB 3.25Å; D137-K140 PolarHBondContact O-N 3Å; D137-T141 VanDerWaalsContact O-CG2 3.28Å; D137-T141 WeakPolarHBondContact O-CG2 3.45Å; D137-T141 PolarHBondContact O-N 2.77Å; D137-R167 VanDerWaalsContact OD1-CD 3.24Å; D137-R167 WeakPolarHBondContact OD1-CD 3.28Å; D137-R167 IonicContact OD1-CZ 3.79Å; D137-R167 IonicContact OD1-NE 3.89Å; D137-R167 PolarHBondContact OD1-NE 2.81Å; D137-R167 IonicContact OD1-NH2 3.35Å; D137-R167 IonicContact OD2-CZ 2.85Å; D137-R167 IonicContact OD2-NE 3.99Å; D137-H170 WeakPolarHBondContact CA-NE2 3.47Å |
| 138 | V | 93.7 | Very high | 94.3 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.8 | -43 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | C134 G135 K140 T141 W148 | C134-V138 HydrophobicContact CB-CB 3.76Å; C134-V138 HydrophobicContact CB-CG1 3.88Å; C134-V138 HydrophobicContact CB-CG2 4.13Å; G135-V138 WeakPolarHBondContact O-CB 3.48Å; G135-V138 PolarHBondContact O-N 3.49Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 2.74Å; V138-T141 WeakPolarHBondContact O-CA 3.45Å; V138-T141 WeakPolarHBondContact O-CB 3.4Å; V138-T141 PolarHBondContact O-N 3.25Å; V138-T141 PolarHBondContact O-OG1 3.17Å; V138-W148 HydrophobicContact CG1-CZ2 4.46Å |
| 139 | L | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 177.5 | -177.4 | 62 | 0 | 0 | 0 | 111.5 | G135 A136 T141 F142 L162 C164 P172 Y175 I176 L182 | G135-L139 PolarHBondContact O-N 3.11Å; A136-L139 PolarHBondContact O-N 2.68Å; L139-T141 PolarHBondContact O-N 2.69Å; L139-F142 HydrophobicContact CD1-CD2 3.93Å; L139-F142 HydrophobicContact CD1-CE2 4.17Å; L139-F142 WeakPolarHBondContact O-CB 3.48Å; L139-F142 PolarHBondContact O-N 2.87Å; L139-L162 HydrophobicContact CD1-CD1 4.45Å; L139-L162 HydrophobicContact CD1-CD2 4.39Å; L139-C164 HydrophobicContact CD2-CB 4.3Å; L139-P172 HydrophobicContact CD2-CB 3.99Å; L139-Y175 HydrophobicContact CD2-CD2 4.47Å; L139-Y175 HydrophobicContact CG-CD2 4.41Å; L139-I176 HydrophobicContact CD2-CD1 4.47Å; L139-I176 HydrophobicContact CD2-CG1 4.26Å; L139-L182 HydrophobicContact CD1-CD1 3.91Å |
| 140 | K | 95.9 | Very high | 94.5 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -36.1 | 173.5 | -171.5 | -177.9 | -179.4 | 177.9 | 0 | 112.2 | A136 D137 V138 F142 Q143 Y175 | A136-K140 PolarHBondContact O-N 3.37Å; A136-K140 VanDerWaalsContact O-N 3.12Å; D137-K140 WeakPolarHBondContact O-CB 3.25Å; D137-K140 PolarHBondContact O-N 3Å; V138-K140 VanDerWaalsContact C-N 3.25Å; V138-K140 PolarHBondContact O-N 2.74Å; K140-F142 PolarHBondContact O-N 3.09Å; K140-Q143 PolarHBondContact O-N 3.37Å; K140-Q143 VanDerWaalsContact O-N 3.14Å; K140-Y175 HydrophobicContact CB-CD2 4.01Å; K140-Y175 HydrophobicContact CB-CE2 3.67Å; K140-Y175 HydrophobicContact CD-CE1 4.41Å; K140-Y175 HydrophobicContact CD-CE2 4.47Å; K140-Y175 HydrophobicContact CG-CE1 4.15Å; K140-Y175 HydrophobicContact CG-CE2 4.16Å |
| 141 | T | 95.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -18.4 | -178.6 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | D137 V138 L139 Q143 T144 L147 W148 | D137-T141 VanDerWaalsContact O-CG2 3.28Å; D137-T141 WeakPolarHBondContact O-CG2 3.45Å; D137-T141 PolarHBondContact O-N 2.77Å; V138-T141 WeakPolarHBondContact O-CA 3.45Å; V138-T141 WeakPolarHBondContact O-CB 3.4Å; V138-T141 PolarHBondContact O-N 3.25Å; V138-T141 PolarHBondContact O-OG1 3.17Å; L139-T141 PolarHBondContact O-N 2.69Å; T141-Q143 PolarHBondContact O-N 3.22Å; T141-Q143 VanDerWaalsContact O-N 3.15Å; T141-T144 VanDerWaalsContact O-CB 3.25Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 3.02Å; T141-L147 HydrophobicContact CG2-CD2 4.45Å; T141-W148 PolarHBondContact O-NE1 3.26Å; T141-W148 PolarHBondContact OG1-NE1 3.5Å |
| 142 | F | 94.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.4 | 173.5 | -72.3 | -0.8 | 0 | 0 | 0 | 112.9 | L139 K140 W148 I153 I156 L162 L182 | L139-F142 HydrophobicContact CD1-CD2 3.93Å; L139-F142 HydrophobicContact CD1-CE2 4.17Å; L139-F142 WeakPolarHBondContact O-CB 3.48Å; L139-F142 PolarHBondContact O-N 2.87Å; K140-F142 PolarHBondContact O-N 3.09Å; F142-W148 AromaticContact CD1-CD1 3.97Å; F142-W148 AromaticContact CD1-CD2 3.65Å; F142-W148 HydrophobicContact CD1-CD2 3.65Å; F142-W148 AromaticContact CD1-CE2 3.57Å; F142-W148 HydrophobicContact CD1-CE3 4.12Å; F142-W148 AromaticContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CH2 4.48Å; F142-W148 HydrophobicContact CD1-CZ2 4.02Å; F142-W148 AromaticContact CD1-NE1 3.72Å; F142-W148 AromaticContact CE1-CD2 3.74Å; F142-W148 HydrophobicContact CE1-CD2 3.74Å; F142-W148 AromaticContact CE1-CE2 3.64Å; F142-W148 AromaticContact CE1-CE3 3.77Å; F142-W148 HydrophobicContact CE1-CE3 3.77Å; F142-W148 AromaticContact CE1-CH2 3.71Å; F142-W148 HydrophobicContact CE1-CH2 3.71Å; F142-W148 AromaticContact CE1-CZ2 3.65Å; F142-W148 HydrophobicContact CE1-CZ2 3.65Å; F142-W148 AromaticContact CE1-CZ3 3.75Å; F142-W148 HydrophobicContact CE1-CZ3 3.75Å; F142-I153 HydrophobicContact CB-CD1 4.07Å; F142-I153 HydrophobicContact CD2-CG2 3.85Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CG-CD1 4.45Å; F142-I153 HydrophobicContact CG-CG1 4.39Å; F142-I153 HydrophobicContact CG-CG2 4.34Å; F142-I153 WeakPolarHBondContact O-CD1 3.39Å; F142-I156 HydrophobicContact CZ-CG2 4.5Å; F142-L162 HydrophobicContact CE2-CD1 3.7Å; F142-L162 HydrophobicContact CZ-CD1 3.82Å; F142-L182 HydrophobicContact CD2-CD1 4.34Å; F142-L182 HydrophobicContact CD2-CD2 3.87Å; F142-L182 HydrophobicContact CE2-CD2 4.29Å |
| 143 | Q | 89.1 | Confident | 94.5 | Very high | 75 Ų | 75 | 55 Ų | 55 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -5.1 | 175.4 | -57.1 | 175.7 | -13.3 | 0 | 0 | 112.9 | K140 T141 P145 Y175 E178 | K140-Q143 PolarHBondContact O-N 3.37Å; K140-Q143 VanDerWaalsContact O-N 3.14Å; T141-Q143 PolarHBondContact O-N 3.22Å; T141-Q143 VanDerWaalsContact O-N 3.15Å; Q143-P145 WeakPolarHBondContact O-CD 3.49Å; Q143-Y175 PolarHBondContact NE2-O 3.2Å; Q143-E178 PolarHBondContact NE2-OE2 2.87Å |
| 144 | T | 90.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -75.2 | 121.1 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | T141 N146 L147 | T141-T144 VanDerWaalsContact O-CB 3.25Å; T141-T144 WeakPolarHBondContact O-CB 3.49Å; T141-T144 PolarHBondContact O-N 2.82Å; T141-T144 PolarHBondContact O-OG1 3.02Å; T144-N146 PolarHBondContact O-N 2.93Å; T144-L147 HydrophobicContact CG2-CB 4.04Å; T144-L147 HydrophobicContact CG2-CD2 4.17Å; T144-L147 PolarHBondContact O-N 3.16Å |
| 145 | P | 86.8 | Confident | 94.5 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 136.3 | -178.5 | -26.4 | 34.8 | 0 | 0 | 0 | 112.2 | Q143 L147 | Q143-P145 WeakPolarHBondContact O-CD 3.49Å; P145-L147 PolarHBondContact O-N 3.45Å |
| 146 | N | 88.8 | Confident | 94.7 | Very high | 169 Ų | 169 | 59.4 Ų | 59.4 | 90% | 0.904 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 5.5 | 176.6 | -51.9 | -46.4 | 0 | 0 | 0 | 116.3 | T144 | T144-N146 PolarHBondContact O-N 2.93Š|
| 147 | L | 91.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 45% | 0.45 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -38.3 | 177.1 | -175.2 | 62.4 | 0 | 0 | 0 | 112.2 | T141 T144 P145 | T141-L147 HydrophobicContact CG2-CD2 4.45Å; T144-L147 HydrophobicContact CG2-CB 4.04Å; T144-L147 HydrophobicContact CG2-CD2 4.17Å; T144-L147 PolarHBondContact O-N 3.16Å; P145-L147 PolarHBondContact O-N 3.45Å |
| 148 | W | 96.4 | Very high | 95.3 | Very high | 52 Ų | 52 | 61 Ų | 61 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -124.5 | 140.7 | 178.8 | -61.8 | 84.9 | 0 | 0 | 0 | 109.3 | V138 T141 F142 I153 I156 | V138-W148 HydrophobicContact CG1-CZ2 4.46Å; T141-W148 PolarHBondContact O-NE1 3.26Å; T141-W148 PolarHBondContact OG1-NE1 3.5Å; F142-W148 AromaticContact CD1-CD1 3.97Å; F142-W148 AromaticContact CD1-CD2 3.65Å; F142-W148 HydrophobicContact CD1-CD2 3.65Å; F142-W148 AromaticContact CD1-CE2 3.57Å; F142-W148 HydrophobicContact CD1-CE3 4.12Å; F142-W148 AromaticContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CG 3.96Å; F142-W148 HydrophobicContact CD1-CH2 4.48Å; F142-W148 HydrophobicContact CD1-CZ2 4.02Å; F142-W148 AromaticContact CD1-NE1 3.72Å; F142-W148 AromaticContact CE1-CD2 3.74Å; F142-W148 HydrophobicContact CE1-CD2 3.74Å; F142-W148 AromaticContact CE1-CE2 3.64Å; F142-W148 AromaticContact CE1-CE3 3.77Å; F142-W148 HydrophobicContact CE1-CE3 3.77Å; F142-W148 AromaticContact CE1-CH2 3.71Å; F142-W148 HydrophobicContact CE1-CH2 3.71Å; F142-W148 AromaticContact CE1-CZ2 3.65Å; F142-W148 HydrophobicContact CE1-CZ2 3.65Å; F142-W148 AromaticContact CE1-CZ3 3.75Å; F142-W148 HydrophobicContact CE1-CZ3 3.75Å; W148-I153 HydrophobicContact CB-CD1 3.73Å; W148-I153 HydrophobicContact CB-CG1 3.72Å; W148-I153 HydrophobicContact CG-CG1 4.43Å; W148-I156 HydrophobicContact CE3-CD1 4.25Å; W148-I156 HydrophobicContact CZ3-CD1 3.83Å |
| 149 | K | 97.5 | Very high | 95.5 | Very high | 118 Ų | 118 | 65.5 Ų | 65.5 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | trans | -81.3 | 132.2 | 170.7 | -61.4 | 173.5 | -173.7 | 160 | 0 | 108.1 | E92 A151 H152 I153 | E92-K149 IonicContact OE1-NZ 3.6Å; E92-K149 PolarHBondContact OE1-NZ 3.48Å; K149-A151 VanDerWaalsContact C-N 3.27Å; K149-A151 PolarHBondContact O-N 3.12Å; K149-H152 HydrophobicContact CB-CB 4.21Å; K149-H152 WeakPolarHBondContact O-CA 3.22Å; K149-H152 VanDerWaalsContact O-CB 3.31Å; K149-H152 WeakPolarHBondContact O-CB 3.36Å; K149-H152 PolarHBondContact O-N 3.32Å; K149-I153 PolarHBondContact O-N 3.12Å | ||
| 150 | D | 97.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -54.1 | -42.7 | -179.2 | -73.6 | -13.5 | 0 | 0 | 0 | 112.9 | H152 I153 Q154 I181 | D150-H152 PolarHBondContact O-N 2.97Å; D150-I153 PolarHBondContact O-N 3.43Å; D150-I153 VanDerWaalsContact O-N 3.12Å; D150-Q154 PolarHBondContact O-N 3.35Å; D150-I181 HydrophobicContact CB-CD1 3.79Å |
| 151 | A | 98.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.2 | -33.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K149 E155 | K149-A151 VanDerWaalsContact C-N 3.27Å; K149-A151 PolarHBondContact O-N 3.12Å; A151-E155 WeakPolarHBondContact O-CB 3.49Å; A151-E155 PolarHBondContact O-N 3.44Å; A151-E155 VanDerWaalsContact O-N 3.08Å |
| 152 | H | 98.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.6 | -40.5 | 174.8 | -66.5 | -172.5 | 0 | 0 | 0 | 111.3 | E92 V94 K149 D150 E155 I156 | E92-H152 IonicContact OE1-CE1 2.97Å; V94-H152 HydrophobicContact CB-CB 4.3Å; V94-H152 HydrophobicContact CG1-CB 3.99Å; K149-H152 HydrophobicContact CB-CB 4.21Å; K149-H152 WeakPolarHBondContact O-CA 3.22Å; K149-H152 VanDerWaalsContact O-CB 3.31Å; K149-H152 WeakPolarHBondContact O-CB 3.36Å; K149-H152 PolarHBondContact O-N 3.32Å; D150-H152 PolarHBondContact O-N 2.97Å; H152-E155 PolarHBondContact O-N 3.19Å; H152-I156 WeakPolarHBondContact O-CB 3.32Å; H152-I156 WeakPolarHBondContact O-CD1 3.49Å; H152-I156 WeakPolarHBondContact O-CG1 3.49Å; H152-I156 PolarHBondContact O-N 3.45Å |
| 153 | I | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 175.2 | -60.9 | 170.6 | 0 | 0 | 0 | 109.3 | F142 W148 K149 D150 E155 I156 V157 I181 L182 | F142-I153 HydrophobicContact CB-CD1 4.07Å; F142-I153 HydrophobicContact CD2-CG2 3.85Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CG-CD1 4.45Å; F142-I153 HydrophobicContact CG-CG1 4.39Å; F142-I153 HydrophobicContact CG-CG2 4.34Å; F142-I153 WeakPolarHBondContact O-CD1 3.39Å; W148-I153 HydrophobicContact CB-CD1 3.73Å; W148-I153 HydrophobicContact CB-CG1 3.72Å; W148-I153 HydrophobicContact CG-CG1 4.43Å; K149-I153 PolarHBondContact O-N 3.12Å; D150-I153 PolarHBondContact O-N 3.43Å; D150-I153 VanDerWaalsContact O-N 3.12Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.23Å; I153-I156 WeakPolarHBondContact O-CB 3.45Å; I153-I156 PolarHBondContact O-N 3.5Å; I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.82Å; I153-V157 VanDerWaalsContact O-N 3.07Å; I153-I181 HydrophobicContact CG2-CG2 4Å; I153-L182 HydrophobicContact CG2-CD2 3.9Å |
| 154 | Q | 98.5 | Very high | 96.5 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.2 | -51 | 179 | -176.7 | -179.9 | -32.7 | 0 | 0 | 110.6 | D150 I156 V157 E158 I181 | D150-Q154 PolarHBondContact O-N 3.35Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; Q154-I156 PolarHBondContact O-N 2.82Å; Q154-V157 WeakPolarHBondContact O-CG2 3.28Å; Q154-V157 PolarHBondContact O-N 2.86Å; Q154-E158 PolarHBondContact NE2-OE2 2.81Å; Q154-E158 WeakPolarHBondContact O-CB 3.42Å; Q154-E158 PolarHBondContact O-N 3.37Å; Q154-I181 HydrophobicContact CB-CG2 3.8Å; Q154-I181 HydrophobicContact CG-CG2 4.31Å |
| 155 | E | 98.8 | Very high | 96.8 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 12% | 0.121 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 179.7 | -176.2 | 173.2 | 170.1 | 0 | 0 | 113.3 | V94 R98 A151 H152 I153 K159 F160 | V94-E155 HydrophobicContact CG2-CB 4.04Å; V94-E155 HydrophobicContact CG2-CG 3.82Å; R98-E155 IonicContact CZ-OE1 3.56Å; R98-E155 IonicContact CZ-OE2 2.67Å; R98-E155 IonicContact NE-OE1 3.62Å; R98-E155 PolarHBondContact NE-OE1 3.4Å; R98-E155 IonicContact NE-OE2 3.75Å; R98-E155 VanDerWaalsContact NH2-CD 3.3Å; R98-E155 IonicContact NH2-OE1 2.94Å; R98-E155 PolarHBondContact NH2-OE1 3.23Å; R98-E155 IonicContact NH2-OE2 3.74Å; R98-E155 PolarHBondContact NH2-OE2 3.42Å; A151-E155 WeakPolarHBondContact O-CB 3.49Å; A151-E155 PolarHBondContact O-N 3.44Å; A151-E155 VanDerWaalsContact O-N 3.08Å; H152-E155 PolarHBondContact O-N 3.19Å; I153-E155 VanDerWaalsContact C-N 3.34Å; I153-E155 PolarHBondContact O-N 3.23Å; E155-K159 HydrophobicContact CG-CB 4.42Å; E155-K159 HydrophobicContact CG-CD 3.85Å; E155-K159 HydrophobicContact CG-CG 4.14Å; E155-K159 WeakPolarHBondContact O-CB 3.32Å; E155-K159 PolarHBondContact O-N 3.38Å; E155-F160 HydrophobicContact CG-CE2 4.15Å |
| 156 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -57.6 | -51.4 | 176.1 | -71.4 | 165.2 | 0 | 0 | 0 | 110.3 | V94 L97 L132 F142 W148 H152 I153 Q154 F160 G161 | V94-I156 HydrophobicContact CB-CD1 4.26Å; V94-I156 HydrophobicContact CB-CG1 4.03Å; V94-I156 HydrophobicContact CG2-CG1 4.14Å; L97-I156 HydrophobicContact CD1-CB 4.49Å; L97-I156 HydrophobicContact CD1-CG1 3.81Å; L97-I156 HydrophobicContact CD1-CG2 4.24Å; L132-I156 HydrophobicContact CB-CG2 4.45Å; L132-I156 HydrophobicContact CD2-CG2 3.9Å; F142-I156 HydrophobicContact CZ-CG2 4.5Å; W148-I156 HydrophobicContact CE3-CD1 4.25Å; W148-I156 HydrophobicContact CZ3-CD1 3.83Å; H152-I156 WeakPolarHBondContact O-CB 3.32Å; H152-I156 WeakPolarHBondContact O-CD1 3.49Å; H152-I156 WeakPolarHBondContact O-CG1 3.49Å; H152-I156 PolarHBondContact O-N 3.45Å; I153-I156 WeakPolarHBondContact O-CB 3.45Å; I153-I156 PolarHBondContact O-N 3.5Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; Q154-I156 PolarHBondContact O-N 2.82Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 PolarHBondContact O-N 3.36Å; I156-G161 PolarHBondContact O-N 3.47Å |
| 157 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -81.4 | -27.1 | -175.1 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | I153 Q154 I181 L182 H185 N188 I189 | I153-V157 WeakPolarHBondContact O-CG2 3.43Å; I153-V157 PolarHBondContact O-N 2.82Å; I153-V157 VanDerWaalsContact O-N 3.07Å; Q154-V157 WeakPolarHBondContact O-CG2 3.28Å; Q154-V157 PolarHBondContact O-N 2.86Å; V157-I181 HydrophobicContact CG2-CG2 4.09Å; V157-L182 HydrophobicContact CG1-CD2 3.72Å; V157-L182 HydrophobicContact CG2-CD2 4.46Å; V157-H185 HydrophobicContact CB-CB 3.97Å; V157-H185 HydrophobicContact CG2-CB 3.57Å; V157-N188 WeakPolarHBondContact O-CB 3.38Å; V157-N188 PolarHBondContact O-ND2 3.34Å; V157-I189 HydrophobicContact CB-CD1 4.44Å; V157-I189 HydrophobicContact CB-CG1 4.43Å; V157-I189 HydrophobicContact CG1-CD1 4.07Å; V157-I189 HydrophobicContact CG1-CG1 4.23Å |
| 158 | E | 98.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -79.2 | -53.7 | 179.8 | -176.5 | 176.9 | -174.6 | 0 | 0 | 111.6 | Q154 H185 N188 | Q154-E158 PolarHBondContact NE2-OE2 2.81Å; Q154-E158 WeakPolarHBondContact O-CB 3.42Å; Q154-E158 PolarHBondContact O-N 3.37Å; E158-H185 VanDerWaalsContact CG-CE1 3.5Å; E158-H185 WeakPolarHBondContact CG-CE1 3.47Å; E158-N188 PolarHBondContact O-ND2 2.99Å |
| 159 | K | 98.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 41.7 Ų | 41.7 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -91.1 | -32.4 | -169.8 | -60.6 | -166.2 | -173.9 | 172 | 0 | 114.4 | E155 | E155-K159 HydrophobicContact CG-CB 4.42Å; E155-K159 HydrophobicContact CG-CD 3.85Å; E155-K159 HydrophobicContact CG-CG 4.14Å; E155-K159 WeakPolarHBondContact O-CB 3.32Å; E155-K159 PolarHBondContact O-N 3.38Å |
| 160 | F | 98.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -105.7 | -54.5 | -175.9 | -58.3 | -75.4 | 0 | 0 | 0 | 110.4 | V94 L97 R98 H101 L130 K131 E155 I156 | V94-F160 HydrophobicContact CG2-CE2 4.31Å; L97-F160 HydrophobicContact CB-CD1 4.07Å; L97-F160 HydrophobicContact CB-CD2 4Å; L97-F160 HydrophobicContact CB-CE1 3.92Å; L97-F160 HydrophobicContact CB-CE2 3.82Å; L97-F160 HydrophobicContact CB-CG 4.11Å; L97-F160 HydrophobicContact CB-CZ 3.78Å; L97-F160 HydrophobicContact CD1-CD2 4.03Å; L97-F160 HydrophobicContact CD1-CE2 4.5Å; L97-F160 HydrophobicContact CD1-CG 4.25Å; L97-F160 HydrophobicContact CD2-CB 4.3Å; L97-F160 HydrophobicContact CD2-CD1 4.3Å; L97-F160 HydrophobicContact CD2-CG 4.19Å; L97-F160 HydrophobicContact CG-CD2 4.48Å; L97-F160 HydrophobicContact CG-CG 4.43Å; R98-F160 HydrophobicContact CG-CE2 4.45Å; R98-F160 HydrophobicContact CG-CZ 3.91Å; H101-F160 HydrophobicContact CB-CE1 3.73Å; H101-F160 AromaticContact CG-CE1 3.99Å; L130-F160 HydrophobicContact CB-CD1 4.38Å; L130-F160 HydrophobicContact CD2-CD1 4.37Å; L130-F160 CarbonylContact O-C 3.58Å; L130-F160 WeakPolarHBondContact O-CA 3.4Å; L130-F160 WeakPolarHBondContact O-CB 3.44Å; L130-F160 VanDerWaalsContact O-O 3.1Å; K131-F160 PolarHBondContact NZ-O 3.25Å; E155-F160 HydrophobicContact CG-CE2 4.15Å; I156-F160 WeakPolarHBondContact O-CB 3.44Å; I156-F160 PolarHBondContact O-N 3.36Å |
| 161 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 94.1 | 167.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L132 I156 N188 | L132-G161 PolarHBondContact N-O 2.94Å; I156-G161 PolarHBondContact O-N 3.47Å; G161-N188 VanDerWaalsContact CA-CG 3.41Å; G161-N188 WeakPolarHBondContact CA-ND2 3.36Å; G161-N188 VanDerWaalsContact CA-O 3.28Å; G161-N188 WeakPolarHBondContact CA-O 3.41Å; G161-N188 PolarHBondContact N-ND2 3.46Å | ||
| 162 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.1 | -170.5 | -167.9 | 143.6 | 0 | 0 | 0 | 109.8 | L132 L139 F142 C164 N188 I189 H190 | L132-L162 HydrophobicContact CD2-CD1 4.27Å; L132-L162 CarbonylContact O-C 3.57Å; L132-L162 WeakPolarHBondContact O-CA 3.37Å; L139-L162 HydrophobicContact CD1-CD1 4.45Å; L139-L162 HydrophobicContact CD1-CD2 4.39Å; F142-L162 HydrophobicContact CE2-CD1 3.7Å; F142-L162 HydrophobicContact CZ-CD1 3.82Å; L162-C164 HydrophobicContact CD2-CB 3.54Å; L162-N188 PolarHBondContact N-O 3.47Å; L162-I189 HydrophobicContact CB-CG2 4.47Å; L162-I189 HydrophobicContact CD2-CG2 4.02Å; L162-I189 CarbonylContact O-C 3.39Å; L162-I189 WeakPolarHBondContact O-CA 3.34Å; L162-H190 PolarHBondContact O-N 2.99Å |
| 163 | V | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 106.7 | 169.5 | -171 | 0 | 0 | 0 | 0 | 107.3 | L9 A29 L33 K131 L132 L133 C134 H190 | L9-V163 HydrophobicContact CD2-CB 4.47Å; L9-V163 HydrophobicContact CD2-CG2 3.88Å; A29-V163 HydrophobicContact CB-CG1 3.67Å; L33-V163 HydrophobicContact CD1-CG2 4.03Å; L33-V163 HydrophobicContact CD2-CG2 4.26Å; L33-V163 HydrophobicContact CG-CG2 4.37Å; K131-V163 HydrophobicContact CB-CG2 4.06Å; K131-V163 HydrophobicContact CD-CG2 3.99Å; L132-V163 PolarHBondContact O-N 3.49Å; L133-V163 WeakPolarHBondContact CA-O 3.19Å; L133-V163 HydrophobicContact CD1-CB 4.36Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; L133-V163 WeakPolarHBondContact CD1-O 3.44Å; C134-V163 PolarHBondContact N-O 3.34Å; V163-H190 CarbonylContact C-O 3.55Å; V163-H190 WeakPolarHBondContact CA-O 3.39Å; V163-H190 HydrophobicContact CB-CB 4.49Å; V163-H190 HydrophobicContact CG1-CB 4.24Å; V163-H190 HydrophobicContact CG2-CB 4.22Å |
| 164 | C | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.2 | -176.8 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | C134 A136 L139 L162 H190 L191 A192 | C134-C164 WeakPolarHBondContact O-CA 3.33Å; A136-C164 WeakPolarHBondContact CA-SG 3.3Å; L139-C164 HydrophobicContact CD2-CB 4.3Å; L162-C164 HydrophobicContact CD2-CB 3.54Å; C164-H190 PolarHBondContact N-O 3.09Å; C164-L191 HydrophobicContact CB-CD2 3.76Å; C164-A192 PolarHBondContact O-N 3.34Å |
| 165 | V | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.7 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | L25 V28 A29 L133 C134 G135 A136 A192 E194 | L25-V165 HydrophobicContact CB-CG2 4.47Å; L25-V165 HydrophobicContact CD2-CB 3.42Å; L25-V165 VanDerWaalsContact CD2-CB 3.42Å; L25-V165 HydrophobicContact CD2-CG1 3.83Å; L25-V165 HydrophobicContact CD2-CG2 3.69Å; V28-V165 HydrophobicContact CB-CG1 4.26Å; V28-V165 HydrophobicContact CB-CG2 4.46Å; V28-V165 HydrophobicContact CG1-CG1 3.76Å; V28-V165 HydrophobicContact CG1-CG2 4.31Å; A29-V165 HydrophobicContact CB-CG2 4.41Å; L133-V165 HydrophobicContact CD1-CG2 4.01Å; C134-V165 PolarHBondContact O-N 2.71Å; G135-V165 WeakPolarHBondContact CA-O 3.39Å; A136-V165 PolarHBondContact N-O 3.31Å; V165-A192 WeakPolarHBondContact CA-O 3.25Å; V165-A192 HydrophobicContact CG2-CB 4.23Å; V165-E194 HydrophobicContact CG1-CB 4.07Å |
| 166 | G | 92.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 29% | 0.289 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -57.3 | 146.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A192 | G166-A192 PolarHBondContact N-O 3.4Š|
| 167 | R | 87.3 | Confident | 95.3 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 15% | 0.151 | 24% | 0.244 | C | C | . | . | trans | -132 | 153.8 | 171.9 | -68.8 | -169.3 | 177.5 | -127 | -2.2 | 110.2 | M21 A136 D137 H170 | M21-R167 HydrophobicContact CE-CG 3.95Å; M21-R167 PolarHBondContact SD-NH1 3.36Å; M21-R167 PolarHBondContact SD-NH2 2.98Å; M21-R167 VanDerWaalsContact SD-NH2 3.4Å; A136-R167 HydrophobicContact CB-CB 4.31Å; D137-R167 VanDerWaalsContact OD1-CD 3.24Å; D137-R167 WeakPolarHBondContact OD1-CD 3.28Å; D137-R167 IonicContact OD1-CZ 3.79Å; D137-R167 IonicContact OD1-NE 3.89Å; D137-R167 PolarHBondContact OD1-NE 2.81Å; D137-R167 IonicContact OD1-NH2 3.35Å; D137-R167 IonicContact OD2-CZ 2.85Å; D137-R167 IonicContact OD2-NE 3.99Å; R167-H170 PolarHBondContact O-N 2.97Å | ||
| 168 | A | 86.3 | Confident | 95.2 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H170 E199 | A168-H170 PolarHBondContact O-N 2.89Å; A168-H170 PolarHBondContact O-ND1 2.8Å; A168-E199 HydrophobicContact CB-CG 4.08Å; A168-E199 WeakPolarHBondContact CB-OE1 3.32Å; A168-E199 PolarHBondContact N-OE1 2.97Å |
| 169 | G | 86.9 | Confident | 95.1 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 86% | 0.856 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 9.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 170 | H | 91.6 | Very high | 95 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | trans | -117.8 | 145.3 | 176.3 | -67.5 | 76.1 | 0 | 0 | 0 | 111.9 | A136 D137 R167 A168 P172 Y175 | A136-H170 HydrophobicContact CB-CB 3.54Å; D137-H170 WeakPolarHBondContact CA-NE2 3.47Å; R167-H170 PolarHBondContact O-N 2.97Å; A168-H170 PolarHBondContact O-N 2.89Å; A168-H170 PolarHBondContact O-ND1 2.8Å; H170-P172 WeakPolarHBondContact O-CD 3.16Å; H170-Y175 VanDerWaalsContact CA-OH 3.32Å; H170-Y175 WeakPolarHBondContact CA-OH 3.26Å; H170-Y175 HydrophobicContact CB-CE2 4.04Å; H170-Y175 AromaticContact CD2-CE2 3.99Å; H170-Y175 PolarHBondContact CD2-OH 3.23Å | ||
| 171 | D | 94.8 | Very high | 95 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | trans | -121.1 | 84.6 | 175.3 | 179.3 | 17.7 | 0 | 0 | 0 | 111 | K173 G174 Y175 | D171-K173 PolarHBondContact O-N 2.66Å; D171-K173 PolarHBondContact OD1-N 3.33Å; D171-G174 VanDerWaalsContact CG-N 3.34Å; D171-G174 PolarHBondContact O-N 2.92Å; D171-G174 PolarHBondContact OD1-N 3.23Å; D171-G174 WeakPolarHBondContact OD2-CA 3.36Å; D171-G174 PolarHBondContact OD2-N 3.48Å; D171-Y175 PolarHBondContact N-OH 3.22Å; D171-Y175 WeakPolarHBondContact O-CD1 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.36Å; D171-Y175 PolarHBondContact O-N 3.01Å | ||
| 172 | P | 95.1 | Very high | 95 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.3 | -32.4 | 178.5 | -25.9 | 34.1 | 0 | 0 | 0 | 114 | A136 L139 H170 Y175 I176 L191 | A136-P172 HydrophobicContact CB-CG 3.72Å; L139-P172 HydrophobicContact CD2-CB 3.99Å; H170-P172 WeakPolarHBondContact O-CD 3.16Å; P172-Y175 PolarHBondContact O-N 3.24Å; P172-I176 WeakPolarHBondContact O-CD1 3.44Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.41Å; P172-I176 PolarHBondContact O-N 3.2Å; P172-I176 VanDerWaalsContact O-N 3.1Å; P172-L191 HydrophobicContact CB-CD1 4.1Å; P172-L191 HydrophobicContact CB-CD2 3.65Å; P172-L191 HydrophobicContact CB-CG 4.5Å |
| 173 | K | 96.3 | Very high | 94.9 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 65% | 0.648 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71 | -42.1 | -179.4 | -69.4 | -175.1 | 177.9 | -176.5 | 0 | 110.9 | D171 S177 L191 | D171-K173 PolarHBondContact O-N 2.66Å; D171-K173 PolarHBondContact OD1-N 3.33Å; K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.32Å; K173-L191 HydrophobicContact CG-CD1 3.67Å |
| 174 | G | 97 | Very high | 94.9 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.9 | -50.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | D171 I176 S177 E178 | D171-G174 VanDerWaalsContact CG-N 3.34Å; D171-G174 PolarHBondContact O-N 2.92Å; D171-G174 PolarHBondContact OD1-N 3.23Å; D171-G174 WeakPolarHBondContact OD2-CA 3.36Å; D171-G174 PolarHBondContact OD2-N 3.48Å; G174-I176 VanDerWaalsContact C-N 3.3Å; G174-I176 PolarHBondContact O-N 3.44Å; G174-S177 PolarHBondContact O-N 3.03Å; G174-E178 WeakPolarHBondContact O-CG 3.49Å; G174-E178 PolarHBondContact O-N 2.99Å |
| 175 | Y | 96.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -39.8 | -178 | -53.6 | -25.5 | 0 | 0 | 0 | 113.4 | L139 K140 Q143 H170 D171 P172 S179 | L139-Y175 HydrophobicContact CD2-CD2 4.47Å; L139-Y175 HydrophobicContact CG-CD2 4.41Å; K140-Y175 HydrophobicContact CB-CD2 4.01Å; K140-Y175 HydrophobicContact CB-CE2 3.67Å; K140-Y175 HydrophobicContact CD-CE1 4.41Å; K140-Y175 HydrophobicContact CD-CE2 4.47Å; K140-Y175 HydrophobicContact CG-CE1 4.15Å; K140-Y175 HydrophobicContact CG-CE2 4.16Å; Q143-Y175 PolarHBondContact NE2-O 3.2Å; H170-Y175 VanDerWaalsContact CA-OH 3.32Å; H170-Y175 WeakPolarHBondContact CA-OH 3.26Å; H170-Y175 HydrophobicContact CB-CE2 4.04Å; H170-Y175 AromaticContact CD2-CE2 3.99Å; H170-Y175 PolarHBondContact CD2-OH 3.23Å; D171-Y175 PolarHBondContact N-OH 3.22Å; D171-Y175 WeakPolarHBondContact O-CD1 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.36Å; D171-Y175 PolarHBondContact O-N 3.01Å; P172-Y175 PolarHBondContact O-N 3.24Å; Y175-S179 PolarHBondContact O-N 3.2Å |
| 176 | I | 97.4 | Very high | 95 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 175.9 | -67.9 | 164.8 | 0 | 0 | 0 | 110.9 | L139 P172 G174 E178 S179 L182 R183 Q186 I189 L191 | L139-I176 HydrophobicContact CD2-CD1 4.47Å; L139-I176 HydrophobicContact CD2-CG1 4.26Å; P172-I176 WeakPolarHBondContact O-CD1 3.44Å; P172-I176 VanDerWaalsContact O-CG1 3.26Å; P172-I176 WeakPolarHBondContact O-CG1 3.41Å; P172-I176 PolarHBondContact O-N 3.2Å; P172-I176 VanDerWaalsContact O-N 3.1Å; G174-I176 VanDerWaalsContact C-N 3.3Å; G174-I176 PolarHBondContact O-N 3.44Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.76Å; I176-S179 PolarHBondContact O-N 3.04Å; I176-L182 HydrophobicContact CB-CB 4.38Å; I176-L182 HydrophobicContact CG1-CB 4.39Å; I176-L182 HydrophobicContact CG2-CB 4.23Å; I176-R183 PolarHBondContact O-N 2.84Å; I176-Q186 HydrophobicContact CG2-CB 3.85Å; I176-I189 HydrophobicContact CD1-CB 4.31Å; I176-I189 HydrophobicContact CD1-CD1 4.39Å; I176-I189 HydrophobicContact CD1-CG2 3.71Å; I176-I189 HydrophobicContact CG1-CD1 4.21Å; I176-I189 HydrophobicContact CG1-CG2 4.45Å; I176-L191 HydrophobicContact CD1-CD1 4.07Å; I176-L191 HydrophobicContact CD1-CD2 3.94Å; I176-L191 HydrophobicContact CD1-CG 4.26Å |
| 177 | S | 96.8 | Very high | 95.3 | Very high | 79 Ų | 79 | 69.8 Ų | 69.8 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.6 | -34.2 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | K173 G174 | K173-S177 WeakPolarHBondContact O-CB 3.5Å; K173-S177 PolarHBondContact O-N 3Å; K173-S177 PolarHBondContact O-OG 3.32Å; G174-S177 PolarHBondContact O-N 3.03Å |
| 178 | E | 95.7 | Very high | 95.8 | Very high | 139 Ų | 139 | 68.8 Ų | 68.8 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -79.8 | -20 | -178.6 | -69.2 | 169.2 | 176.2 | 0 | 0 | 113.6 | Q143 G174 I176 | Q143-E178 PolarHBondContact NE2-OE2 2.87Å; G174-E178 WeakPolarHBondContact O-CG 3.49Å; G174-E178 PolarHBondContact O-N 2.99Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.76Å |
| 179 | S | 96.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 67.2 Ų | 67.2 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | trans | -100.8 | 119.2 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | Y175 I176 I181 L182 R183 | Y175-S179 PolarHBondContact O-N 3.2Å; I176-S179 PolarHBondContact O-N 3.04Å; S179-I181 VanDerWaalsContact C-N 3.28Å; S179-I181 PolarHBondContact O-N 3.1Å; S179-L182 PolarHBondContact O-N 3.14Å; S179-L182 WeakPolarHBondContact OG-CG 3.26Å; S179-L182 PolarHBondContact OG-N 3.28Å; S179-R183 VanDerWaalsContact O-CB 3.32Å; S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 PolarHBondContact O-N 2.86Å | ||
| 180 | P | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 64.1 Ų | 64.1 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56 | -40.3 | 177.3 | -27 | 35.3 | 0 | 0 | 0 | 113.5 | M184 | P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 PolarHBondContact O-N 3.24Å |
| 181 | I | 97.8 | Very high | 97.2 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -49.8 | 179.1 | -61.3 | 173.3 | 0 | 0 | 0 | 110.2 | D150 I153 Q154 V157 S179 R183 M184 H185 | D150-I181 HydrophobicContact CB-CD1 3.79Å; I153-I181 HydrophobicContact CG2-CG2 4Å; Q154-I181 HydrophobicContact CB-CG2 3.8Å; Q154-I181 HydrophobicContact CG-CG2 4.31Å; V157-I181 HydrophobicContact CG2-CG2 4.09Å; S179-I181 VanDerWaalsContact C-N 3.28Å; S179-I181 PolarHBondContact O-N 3.1Å; I181-R183 PolarHBondContact O-N 3.09Å; I181-M184 PolarHBondContact O-N 2.87Å; I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.77Å |
| 182 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | -178.6 | -57 | -178.8 | 0 | 0 | 0 | 111.8 | L139 F142 I153 V157 I176 S179 M184 H185 Q186 I189 | L139-L182 HydrophobicContact CD1-CD1 3.91Å; F142-L182 HydrophobicContact CD2-CD1 4.34Å; F142-L182 HydrophobicContact CD2-CD2 3.87Å; F142-L182 HydrophobicContact CE2-CD2 4.29Å; I153-L182 HydrophobicContact CG2-CD2 3.9Å; V157-L182 HydrophobicContact CG1-CD2 3.72Å; V157-L182 HydrophobicContact CG2-CD2 4.46Å; I176-L182 HydrophobicContact CB-CB 4.38Å; I176-L182 HydrophobicContact CG1-CB 4.39Å; I176-L182 HydrophobicContact CG2-CB 4.23Å; S179-L182 PolarHBondContact O-N 3.14Å; S179-L182 WeakPolarHBondContact OG-CG 3.26Å; S179-L182 PolarHBondContact OG-N 3.28Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.41Å; L182-H185 CarbonylContact O-C 3.42Å; L182-H185 PolarHBondContact O-N 2.97Å; L182-Q186 WeakPolarHBondContact O-CA 3.39Å; L182-Q186 PolarHBondContact O-N 3.44Å; L182-I189 HydrophobicContact CB-CD1 4.02Å; L182-I189 HydrophobicContact CD2-CD1 4.05Å |
| 183 | R | 97.9 | Very high | 96.9 | Very high | 158 Ų | 158 | 67.4 Ų | 67.4 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 177.1 | -175.4 | 177.2 | 174.4 | -178.6 | -1.6 | 112.1 | I176 S179 I181 H185 Q186 | I176-R183 PolarHBondContact O-N 2.84Å; S179-R183 VanDerWaalsContact O-CB 3.32Å; S179-R183 WeakPolarHBondContact O-CB 3.38Å; S179-R183 PolarHBondContact O-N 2.86Å; I181-R183 PolarHBondContact O-N 3.09Å; R183-H185 VanDerWaalsContact C-N 3.33Å; R183-Q186 WeakPolarHBondContact O-CG 3.35Å; R183-Q186 PolarHBondContact O-NE2 3.2Å |
| 184 | M | 98.1 | Very high | 96.2 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 178 | -175.3 | 178.1 | -66.1 | 0 | 0 | 111.6 | P180 I181 L182 | P180-M184 WeakPolarHBondContact O-CB 3.48Å; P180-M184 PolarHBondContact O-N 3.24Å; I181-M184 PolarHBondContact O-N 2.87Å; L182-M184 VanDerWaalsContact C-N 3.33Å; L182-M184 PolarHBondContact O-N 3.41Å |
| 185 | H | 98.3 | Very high | 95 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 20.2 | -177.8 | -58.8 | -74.3 | 0 | 0 | 0 | 113.9 | V157 E158 I181 L182 R183 H187 N188 | V157-H185 HydrophobicContact CB-CB 3.97Å; V157-H185 HydrophobicContact CG2-CB 3.57Å; E158-H185 VanDerWaalsContact CG-CE1 3.5Å; E158-H185 WeakPolarHBondContact CG-CE1 3.47Å; I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.77Å; L182-H185 CarbonylContact O-C 3.42Å; L182-H185 PolarHBondContact O-N 2.97Å; R183-H185 VanDerWaalsContact C-N 3.33Å; H185-H187 PolarHBondContact O-N 3.03Å; H185-N188 PolarHBondContact O-N 3.32Å |
| 186 | Q | 97.8 | Very high | 94 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -59.2 | -25.7 | -174.9 | 71.8 | -175 | -76.4 | 0 | 0 | 113.8 | I176 L182 R183 N188 I189 | I176-Q186 HydrophobicContact CG2-CB 3.85Å; L182-Q186 WeakPolarHBondContact O-CA 3.39Å; L182-Q186 PolarHBondContact O-N 3.44Å; R183-Q186 WeakPolarHBondContact O-CG 3.35Å; R183-Q186 PolarHBondContact O-NE2 3.2Å; Q186-N188 PolarHBondContact O-N 2.94Å; Q186-I189 PolarHBondContact O-N 3.32Å; Q186-I189 VanDerWaalsContact O-N 3.08Å |
| 187 | H | 97.8 | Very high | 92.9 | Very high | 141 Ų | 141 | 77 Ų | 77 | 65% | 0.653 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -64.4 | -19.6 | 176.7 | 63 | -89.3 | 0 | 0 | 0 | 113 | H185 | H185-H187 PolarHBondContact O-N 3.03Š|
| 188 | N | 98.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -106.8 | 13.3 | 176.2 | -157.7 | 15.3 | 0 | 0 | 0 | 112.5 | K131 V157 E158 G161 L162 H185 Q186 | K131-N188 PolarHBondContact NZ-OD1 2.83Å; V157-N188 WeakPolarHBondContact O-CB 3.38Å; V157-N188 PolarHBondContact O-ND2 3.34Å; E158-N188 PolarHBondContact O-ND2 2.99Å; G161-N188 VanDerWaalsContact CA-CG 3.41Å; G161-N188 WeakPolarHBondContact CA-ND2 3.36Å; G161-N188 VanDerWaalsContact CA-O 3.28Å; G161-N188 WeakPolarHBondContact CA-O 3.41Å; G161-N188 PolarHBondContact N-ND2 3.46Å; L162-N188 PolarHBondContact N-O 3.47Å; H185-N188 PolarHBondContact O-N 3.32Å; Q186-N188 PolarHBondContact O-N 2.94Å |
| 189 | I | 98.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 108.5 | 174.6 | -54.6 | 175.3 | 0 | 0 | 0 | 108.7 | V157 L162 I176 L182 Q186 L191 | V157-I189 HydrophobicContact CB-CD1 4.44Å; V157-I189 HydrophobicContact CB-CG1 4.43Å; V157-I189 HydrophobicContact CG1-CD1 4.07Å; V157-I189 HydrophobicContact CG1-CG1 4.23Å; L162-I189 HydrophobicContact CB-CG2 4.47Å; L162-I189 HydrophobicContact CD2-CG2 4.02Å; L162-I189 CarbonylContact O-C 3.39Å; L162-I189 WeakPolarHBondContact O-CA 3.34Å; I176-I189 HydrophobicContact CD1-CB 4.31Å; I176-I189 HydrophobicContact CD1-CD1 4.39Å; I176-I189 HydrophobicContact CD1-CG2 3.71Å; I176-I189 HydrophobicContact CG1-CD1 4.21Å; I176-I189 HydrophobicContact CG1-CG2 4.45Å; L182-I189 HydrophobicContact CB-CD1 4.02Å; L182-I189 HydrophobicContact CD2-CD1 4.05Å; Q186-I189 PolarHBondContact O-N 3.32Å; Q186-I189 VanDerWaalsContact O-N 3.08Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å |
| 190 | H | 98.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 73 Ų | 73 | 9% | 0.088 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.8 | -177.7 | -58.2 | -87.2 | 0 | 0 | 0 | 109.7 | L33 Y39 L162 V163 C164 | L33-H190 HydrophobicContact CD2-CB 4.22Å; Y39-H190 AromaticContact CE2-CE1 3.52Å; Y39-H190 AromaticContact CZ-CE1 3.86Å; L162-H190 PolarHBondContact O-N 2.99Å; V163-H190 CarbonylContact C-O 3.55Å; V163-H190 WeakPolarHBondContact CA-O 3.39Å; V163-H190 HydrophobicContact CB-CB 4.49Å; V163-H190 HydrophobicContact CG1-CB 4.24Å; V163-H190 HydrophobicContact CG2-CB 4.22Å; C164-H190 PolarHBondContact N-O 3.09Å |
| 191 | L | 97.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 99.6 | 179.6 | -61.7 | -174.5 | 0 | 0 | 0 | 110.4 | H32 C164 P172 K173 I176 I189 | H32-L191 PolarHBondContact CE1-O 2.9Å; H32-L191 VanDerWaalsContact CE1-O 3.22Å; C164-L191 HydrophobicContact CB-CD2 3.76Å; P172-L191 HydrophobicContact CB-CD1 4.1Å; P172-L191 HydrophobicContact CB-CD2 3.65Å; P172-L191 HydrophobicContact CB-CG 4.5Å; K173-L191 HydrophobicContact CG-CD1 3.67Å; I176-L191 HydrophobicContact CD1-CD1 4.07Å; I176-L191 HydrophobicContact CD1-CD2 3.94Å; I176-L191 HydrophobicContact CD1-CG 4.26Å; I189-L191 HydrophobicContact CG2-CD2 4.19Å |
| 192 | A | 95.9 | Very high | 90 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V28 H32 C164 V165 G166 | V28-A192 HydrophobicContact CG1-CB 3.98Å; H32-A192 HydrophobicContact CB-CB 3.64Å; C164-A192 PolarHBondContact O-N 3.34Å; V165-A192 WeakPolarHBondContact CA-O 3.25Å; V165-A192 HydrophobicContact CG2-CB 4.23Å; G166-A192 PolarHBondContact N-O 3.4Å |
| 193 | K | 87.6 | Confident | 89.8 | Confident | 179 Ų | 179 | 74 Ų | 74 | 78% | 0.778 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 121.8 | 176.9 | -173.8 | 179.4 | -179.1 | -176.6 | 0 | 109.4 | P195 | K193-P195 WeakPolarHBondContact O-CD 3.25Š|
| 194 | E | 80.3 | Confident | 89.7 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 16% | 0.159 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 118.9 | 165.2 | 176 | 63.4 | 174.4 | 0 | 0 | 108.8 | R24 V28 V165 V196 | R24-E194 IonicContact CZ-OE1 3.71Å; R24-E194 IonicContact CZ-OE2 2.68Å; R24-E194 IonicContact NE-OE1 2.85Å; R24-E194 PolarHBondContact NE-OE1 3.05Å; R24-E194 IonicContact NE-OE2 3.53Å; R24-E194 PolarHBondContact NE-OE2 3.08Å; R24-E194 IonicContact NH2-OE1 3.5Å; R24-E194 PolarHBondContact NH2-OE1 3.47Å; R24-E194 IonicContact NH2-OE2 3.68Å; R24-E194 PolarHBondContact NH2-OE2 2.96Å; V28-E194 HydrophobicContact CG1-CB 4.42Å; V28-E194 WeakPolarHBondContact CG2-OE2 3.38Å; V165-E194 HydrophobicContact CG1-CB 4.07Å; E194-V196 VanDerWaalsContact C-N 3.27Å; E194-V196 WeakPolarHBondContact CG-O 3.49Å; E194-V196 PolarHBondContact O-N 3.06Å |
| 195 | P | 72.8 | Confident | 89.6 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 68% | 0.682 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -76.2 | -14.1 | 179.5 | 29.2 | -33.7 | 0 | 0 | 0 | 113.4 | K193 | K193-P195 WeakPolarHBondContact O-CD 3.25Š|
| 196 | V | 75.4 | Confident | 89.6 | Confident | 91 Ų | 91 | 65 Ų | 65 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -107.7 | 131 | -176.9 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | E194 N198 | E194-V196 VanDerWaalsContact C-N 3.27Å; E194-V196 WeakPolarHBondContact CG-O 3.49Å; E194-V196 PolarHBondContact O-N 3.06Å; V196-N198 PolarHBondContact O-N 2.75Å |
| 197 | Q | 74.6 | Confident | 89.5 | Confident | 170 Ų | 170 | 66.6 Ų | 66.6 | 79% | 0.794 | 33% | 0.332 | S | S | * | . | trans | -72.4 | 100.3 | 171.9 | -75.7 | -176.9 | -26.1 | 0 | 0 | 110.2 | ||||
| 198 | N | 70.8 | Confident | 89.4 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | trans | -118.7 | 74.5 | 174.4 | -170.6 | 0.4 | 0 | 0 | 0 | 110.5 | M21 V196 I200 | M21-N198 WeakPolarHBondContact CE-O 3.43Å; M21-N198 WeakPolarHBondContact CG-O 3.49Å; V196-N198 PolarHBondContact O-N 2.75Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.33Å; N198-I200 WeakPolarHBondContact OD1-CD1 3.33Å; N198-I200 VanDerWaalsContact OD1-CG1 3.25Å; N198-I200 WeakPolarHBondContact OD1-CG1 3.43Å | ||
| 199 | E | 80.2 | Confident | 89.3 | Confident | 90 Ų | 90 | 60.7 Ų | 60.7 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | trans | -90.5 | 49.7 | -173.3 | -67.2 | -62.9 | 154.6 | 0 | 0 | 113.3 | A168 S201 | A168-E199 HydrophobicContact CB-CG 4.08Å; A168-E199 WeakPolarHBondContact CB-OE1 3.32Å; A168-E199 PolarHBondContact N-OE1 2.97Å; E199-S201 PolarHBondContact O-N 3.3Å | ||
| 200 | I | 86.3 | Confident | 89.2 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | trans | -84.7 | 102.8 | 179 | -57 | 167.7 | 0 | 0 | 0 | 110.2 | T19 M21 N198 I205 L218 | T19-I200 HydrophobicContact CG2-CG2 4.21Å; M21-I200 HydrophobicContact CB-CB 4.22Å; N198-I200 VanDerWaalsContact C-N 3.31Å; N198-I200 PolarHBondContact O-N 3.33Å; N198-I200 WeakPolarHBondContact OD1-CD1 3.33Å; N198-I200 VanDerWaalsContact OD1-CG1 3.25Å; N198-I200 WeakPolarHBondContact OD1-CG1 3.43Å; I200-I205 HydrophobicContact CG2-CD1 3.87Å; I200-I205 HydrophobicContact CG2-CG1 4.06Å; I200-L218 HydrophobicContact CD1-CB 4.05Å; I200-L218 HydrophobicContact CD1-CD2 3.77Å; I200-L218 HydrophobicContact CG1-CD2 4.17Å; I200-L218 HydrophobicContact CG2-CB 4.12Å | ||
| 201 | S | 91.3 | Very high | 89.1 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | trans | -89.2 | 142 | 173.3 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | E199 T203 Y204 I205 | E199-S201 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact O-N 3.38Å; S201-Y204 WeakPolarHBondContact O-CB 3.35Å; S201-Y204 PolarHBondContact O-N 3.23Å; S201-Y204 WeakPolarHBondContact OG-CB 3.49Å; S201-Y204 PolarHBondContact OG-N 2.67Å; S201-Y204 VanDerWaalsContact OG-N 3.13Å; S201-I205 PolarHBondContact O-N 2.87Å; S201-I205 VanDerWaalsContact O-N 3.15Å | ||
| 202 | A | 94.4 | Very high | 89 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -28.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T19 I205 R206 | T19-A202 HydrophobicContact CG2-CB 4.38Å; A202-I205 PolarHBondContact O-N 3.39Å; A202-R206 WeakPolarHBondContact O-CG 3.29Å; A202-R206 PolarHBondContact O-N 2.97Å; A202-R206 PolarHBondContact O-NH1 2.96Å |
| 203 | T | 93.4 | Very high | 89 | Confident | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.534 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | S201 R206 R207 | S201-T203 PolarHBondContact O-N 3.38Å; T203-R206 PolarHBondContact OG1-NH2 3.14Å; T203-R207 WeakPolarHBondContact O-CB 3.2Å; T203-R207 PolarHBondContact O-N 3.41Å; T203-R207 VanDerWaalsContact O-N 3.09Å |
| 204 | Y | 95 | Very high | 89.5 | Confident | 87 Ų | 87 | 65.9 Ų | 65.9 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 172 | 171.5 | -89 | 0 | 0 | 0 | 111.2 | S201 R206 R207 A208 L218 | S201-Y204 WeakPolarHBondContact O-CB 3.35Å; S201-Y204 PolarHBondContact O-N 3.23Å; S201-Y204 WeakPolarHBondContact OG-CB 3.49Å; S201-Y204 PolarHBondContact OG-N 2.67Å; S201-Y204 VanDerWaalsContact OG-N 3.13Å; Y204-R206 PolarHBondContact O-N 3.48Å; Y204-R207 VanDerWaalsContact CD2-NH2 3.26Å; Y204-R207 PolarHBondContact O-N 2.98Å; Y204-A208 HydrophobicContact CE1-CB 4.34Å; Y204-A208 WeakPolarHBondContact O-CB 3.28Å; Y204-A208 PolarHBondContact O-N 3.46Å; Y204-L218 HydrophobicContact CD1-CD1 4.28Å; Y204-L218 HydrophobicContact CE1-CD1 3.54Å |
| 205 | I | 97.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 179.2 | -61.6 | -59.9 | 0 | 0 | 0 | 111.6 | P17 T19 I200 S201 A202 R207 A208 L209 V215 L218 I219 | P17-I205 HydrophobicContact CG-CB 4.41Å; P17-I205 HydrophobicContact CG-CG2 3.6Å; T19-I205 HydrophobicContact CG2-CG1 3.9Å; I200-I205 HydrophobicContact CG2-CD1 3.87Å; I200-I205 HydrophobicContact CG2-CG1 4.06Å; S201-I205 PolarHBondContact O-N 2.87Å; S201-I205 VanDerWaalsContact O-N 3.15Å; A202-I205 PolarHBondContact O-N 3.39Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.01Å; I205-A208 PolarHBondContact O-N 3.32Å; I205-L209 HydrophobicContact CG2-CD1 3.76Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.41Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.37Å; I205-V215 HydrophobicContact CD1-CB 4.09Å; I205-V215 HydrophobicContact CD1-CG1 4.03Å; I205-V215 HydrophobicContact CG2-CG1 4.24Å; I205-L218 HydrophobicContact CD1-CB 3.68Å; I205-L218 HydrophobicContact CD1-CD1 3.96Å; I205-I219 HydrophobicContact CD1-CG2 3.81Å; I205-I219 HydrophobicContact CG1-CG2 3.92Å; I205-I219 HydrophobicContact CG2-CD1 4.18Å; I205-I219 HydrophobicContact CG2-CG2 4.19Å |
| 206 | R | 96.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 177.8 | -65.8 | -165.9 | -55.2 | -70.9 | -5.6 | 112.1 | N16 A202 T203 Y204 G210 Y233 | N16-R206 VanDerWaalsContact O-CD 3.32Å; N16-R206 WeakPolarHBondContact O-CD 3.44Å; N16-R206 PolarHBondContact O-NH1 3.36Å; A202-R206 WeakPolarHBondContact O-CG 3.29Å; A202-R206 PolarHBondContact O-N 2.97Å; A202-R206 PolarHBondContact O-NH1 2.96Å; T203-R206 PolarHBondContact OG1-NH2 3.14Å; Y204-R206 PolarHBondContact O-N 3.48Å; R206-G210 PolarHBondContact O-N 3.3Å; R206-Y233 HydrophobicContact CB-CD1 4.34Å; R206-Y233 HydrophobicContact CG-CD1 3.54Å; R206-Y233 HydrophobicContact CG-CE1 3.78Å; R206-Y233 HydrophobicContact CG-CG 3.98Å |
| 207 | R | 95.8 | Very high | 92.6 | Very high | 141 Ų | 141 | 67.6 Ų | 67.6 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.8 | -176.2 | -176.9 | 70.6 | -167 | 4.2 | 111.8 | T203 Y204 I205 G210 Q211 | T203-R207 WeakPolarHBondContact O-CB 3.2Å; T203-R207 PolarHBondContact O-N 3.41Å; T203-R207 VanDerWaalsContact O-N 3.09Å; Y204-R207 VanDerWaalsContact CD2-NH2 3.26Å; Y204-R207 PolarHBondContact O-N 2.98Å; I205-R207 VanDerWaalsContact C-N 3.31Å; I205-R207 PolarHBondContact O-N 3.01Å; R207-G210 PolarHBondContact O-N 2.83Å; R207-Q211 WeakPolarHBondContact O-CG 3.23Å; R207-Q211 PolarHBondContact O-N 3.08Å; R207-Q211 VanDerWaalsContact O-N 3.08Å |
| 208 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y204 I205 G210 Q211 G212 Q213 V215 | Y204-A208 HydrophobicContact CE1-CB 4.34Å; Y204-A208 WeakPolarHBondContact O-CB 3.28Å; Y204-A208 PolarHBondContact O-N 3.46Å; I205-A208 PolarHBondContact O-N 3.32Å; A208-G210 PolarHBondContact O-N 2.82Å; A208-Q211 CarbonylContact O-C 3.59Å; A208-Q211 WeakPolarHBondContact O-CA 3.42Å; A208-Q211 PolarHBondContact O-N 3.23Å; A208-G212 PolarHBondContact O-N 3.05Å; A208-G212 VanDerWaalsContact O-N 3.13Å; A208-Q213 HydrophobicContact CB-CB 4.02Å; A208-Q213 WeakPolarHBondContact O-CB 3.48Å; A208-Q213 PolarHBondContact O-N 2.9Å; A208-V215 HydrophobicContact CB-CG1 3.64Å |
| 209 | L | 96.6 | Very high | 95 | Very high | 36 Ų | 36 | 59.5 Ų | 59.5 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 175.5 | -72.8 | 167.8 | 0 | 0 | 0 | 112.2 | I205 Q211 G212 V215 I227 Y233 | I205-L209 HydrophobicContact CG2-CD1 3.76Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.41Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.44Å; I205-L209 PolarHBondContact O-N 3.37Å; L209-Q211 PolarHBondContact O-N 2.95Å; L209-G212 PolarHBondContact O-N 3.08Å; L209-V215 HydrophobicContact CD2-CG1 4.34Å; L209-V215 HydrophobicContact CD2-CG2 3.7Å; L209-V215 HydrophobicContact CG-CG1 4.08Å; L209-V215 HydrophobicContact CG-CG2 4.14Å; L209-I227 HydrophobicContact CD1-CD1 4.01Å; L209-I227 HydrophobicContact CD1-CG2 3.97Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; L209-Y233 HydrophobicContact CD1-CD2 3.8Å; L209-Y233 HydrophobicContact CD1-CG 4.26Å |
| 210 | G | 95.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -26.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | R206 R207 A208 Y233 K235 | R206-G210 PolarHBondContact O-N 3.3Å; R207-G210 PolarHBondContact O-N 2.83Å; A208-G210 PolarHBondContact O-N 2.82Å; G210-Y233 WeakPolarHBondContact CA-O 3.42Å; G210-Y233 PolarHBondContact N-O 3.28Å; G210-K235 WeakPolarHBondContact O-CD 3.16Å; G210-K235 WeakPolarHBondContact O-CE 3.35Å; G210-K235 VanDerWaalsContact O-CG 3.22Å; G210-K235 WeakPolarHBondContact O-CG 3.5Å |
| 211 | Q | 96.2 | Very high | 96.5 | Very high | 104 Ų | 104 | 59.4 Ų | 59.4 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.4 | 176.3 | -68.4 | 176.1 | -1.1 | 0 | 0 | 113.7 | R207 A208 L209 Q213 | R207-Q211 WeakPolarHBondContact O-CG 3.23Å; R207-Q211 PolarHBondContact O-N 3.08Å; R207-Q211 VanDerWaalsContact O-N 3.08Å; A208-Q211 CarbonylContact O-C 3.59Å; A208-Q211 WeakPolarHBondContact O-CA 3.42Å; A208-Q211 PolarHBondContact O-N 3.23Å; L209-Q211 PolarHBondContact O-N 2.95Å; Q211-Q213 HydrophobicContact CB-CG 4.02Å; Q211-Q213 PolarHBondContact O-N 3.24Å |
| 212 | G | 95.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 17.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A208 L209 | A208-G212 PolarHBondContact O-N 3.05Å; A208-G212 VanDerWaalsContact O-N 3.13Å; L209-G212 PolarHBondContact O-N 3.08Å |
| 213 | Q | 97.5 | Very high | 97.1 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | trans | -80.3 | 151.2 | 176.2 | -63.7 | 179.9 | -34.4 | 0 | 0 | 110.6 | A208 Q211 | A208-Q213 HydrophobicContact CB-CB 4.02Å; A208-Q213 WeakPolarHBondContact O-CB 3.48Å; A208-Q213 PolarHBondContact O-N 2.9Å; Q211-Q213 HydrophobicContact CB-CG 4.02Å; Q211-Q213 PolarHBondContact O-N 3.24Å | ||
| 214 | S | 97.8 | Very high | 97.3 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | trans | -67.3 | 137.4 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | K216 | S214-K216 WeakPolarHBondContact OG-CB 3.48Å; S214-K216 PolarHBondContact OG-N 3.07Å | ||
| 215 | V | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | trans | -116.7 | 14.9 | 167.8 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | I205 A208 L209 L218 I219 I224 | I205-V215 HydrophobicContact CD1-CB 4.09Å; I205-V215 HydrophobicContact CD1-CG1 4.03Å; I205-V215 HydrophobicContact CG2-CG1 4.24Å; A208-V215 HydrophobicContact CB-CG1 3.64Å; L209-V215 HydrophobicContact CD2-CG1 4.34Å; L209-V215 HydrophobicContact CD2-CG2 3.7Å; L209-V215 HydrophobicContact CG-CG1 4.08Å; L209-V215 HydrophobicContact CG-CG2 4.14Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 2.92Å; V215-L218 VanDerWaalsContact O-N 3.13Å; V215-I219 HydrophobicContact CG2-CD1 3.93Å; V215-I219 HydrophobicContact CG2-CG1 4.3Å; V215-I224 HydrophobicContact CG2-CD1 4.45Å; V215-I224 HydrophobicContact CG2-CG1 4.28Å | ||
| 216 | K | 98.3 | Very high | 97.5 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 35% | 0.352 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -57.1 | 140.5 | 176.2 | -164.8 | 174.5 | 178.1 | 65.9 | 0 | 109.9 | S214 L218 D221 I224 | S214-K216 WeakPolarHBondContact OG-CB 3.48Å; S214-K216 PolarHBondContact OG-N 3.07Å; K216-L218 PolarHBondContact O-N 3.45Å; K216-D221 IonicContact NZ-OD1 3.67Å; K216-D221 PolarHBondContact NZ-OD1 3.23Å; K216-D221 IonicContact NZ-OD2 2.67Å; K216-D221 PolarHBondContact NZ-OD2 3.4Å; K216-I224 HydrophobicContact CB-CD1 4.28Å; K216-I224 HydrophobicContact CG-CD1 4.44Å |
| 217 | Y | 97 | Very high | 97.6 | Very high | 180 Ų | 180 | 55.3 Ų | 55.3 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | -5.5 | -176.2 | -42.4 | -67.5 | 0 | 0 | 0 | 115.8 | N20 | N20-Y217 PolarHBondContact ND2-O 3.15Š|
| 218 | L | 97.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -28.2 | 175.5 | -52.6 | -178 | 0 | 0 | 0 | 112.7 | N20 I200 Y204 I205 V215 K216 | N20-L218 WeakPolarHBondContact CB-O 3.22Å; N20-L218 PolarHBondContact N-O 3.37Å; I200-L218 HydrophobicContact CD1-CB 4.05Å; I200-L218 HydrophobicContact CD1-CD2 3.77Å; I200-L218 HydrophobicContact CG1-CD2 4.17Å; I200-L218 HydrophobicContact CG2-CB 4.12Å; Y204-L218 HydrophobicContact CD1-CD1 4.28Å; Y204-L218 HydrophobicContact CE1-CD1 3.54Å; I205-L218 HydrophobicContact CD1-CB 3.68Å; I205-L218 HydrophobicContact CD1-CD1 3.96Å; V215-L218 WeakPolarHBondContact O-CB 3.42Å; V215-L218 PolarHBondContact O-N 2.92Å; V215-L218 VanDerWaalsContact O-N 3.13Å; K216-L218 PolarHBondContact O-N 3.45Å |
| 219 | I | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -132.9 | 160.5 | 172.7 | 71.5 | -177.3 | 0 | 0 | 0 | 108.7 | P17 T19 I205 V215 V223 I224 I227 | P17-I219 HydrophobicContact CG-CD1 4.49Å; T19-I219 HydrophobicContact CG2-CG2 3.83Å; I205-I219 HydrophobicContact CD1-CG2 3.81Å; I205-I219 HydrophobicContact CG1-CG2 3.92Å; I205-I219 HydrophobicContact CG2-CD1 4.18Å; I205-I219 HydrophobicContact CG2-CG2 4.19Å; V215-I219 HydrophobicContact CG2-CD1 3.93Å; V215-I219 HydrophobicContact CG2-CG1 4.3Å; I219-V223 HydrophobicContact CD1-CB 4.43Å; I219-V223 HydrophobicContact CD1-CG1 3.99Å; I219-I224 HydrophobicContact CD1-CG1 3.78Å; I219-I224 HydrophobicContact CG1-CD1 4.09Å; I219-I224 HydrophobicContact CG1-CG1 3.47Å; I219-I224 VanDerWaalsContact CG1-CG1 3.47Å; I219-I227 HydrophobicContact CD1-CD1 3.82Å |
| 220 | P | 98.5 | Very high | 97.8 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | trans | -61.4 | 143.5 | -179.5 | -24.2 | 35.5 | 0 | 0 | 0 | 112.5 | N20 L23 A71 A222 V223 I224 | N20-P220 VanDerWaalsContact OD1-CD 3.26Å; N20-P220 WeakPolarHBondContact OD1-CD 3.19Å; L23-P220 HydrophobicContact CD1-CG 3.85Å; A71-P220 HydrophobicContact CB-CG 3.86Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.91Å; P220-V223 HydrophobicContact CB-CG2 4.08Å; P220-V223 HydrophobicContact CG-CG2 4.2Å; P220-V223 WeakPolarHBondContact O-CA 3.39Å; P220-V223 WeakPolarHBondContact O-CB 3.43Å; P220-V223 PolarHBondContact O-N 3.15Å; P220-I224 PolarHBondContact O-N 3.46Å | ||
| 221 | D | 98.7 | Very high | 97.9 | Very high | 83 Ų | 83 | 66 Ų | 66 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | -176.4 | -81.8 | -17.3 | 0 | 0 | 0 | 112.2 | K216 V223 I224 T225 | K216-D221 IonicContact NZ-OD1 3.67Å; K216-D221 PolarHBondContact NZ-OD1 3.23Å; K216-D221 IonicContact NZ-OD2 2.67Å; K216-D221 PolarHBondContact NZ-OD2 3.4Å; D221-V223 VanDerWaalsContact C-N 3.27Å; D221-V223 PolarHBondContact O-N 3.45Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.47Å; D221-I224 VanDerWaalsContact O-N 3.13Å; D221-T225 PolarHBondContact O-N 2.74Å; D221-T225 PolarHBondContact O-OG1 2.97Å |
| 222 | A | 98.7 | Very high | 97.9 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 29% | 0.289 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.8 | -32.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L70 P220 Y226 | L70-A222 HydrophobicContact CB-CB 4.12Å; P220-A222 VanDerWaalsContact C-N 3.27Å; P220-A222 PolarHBondContact O-N 2.91Å; A222-Y226 WeakPolarHBondContact O-CB 3.39Å; A222-Y226 PolarHBondContact O-N 3.34Å |
| 223 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.2 | -38.1 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | P17 I18 M67 A71 I219 P220 D221 Y226 I227 | P17-V223 HydrophobicContact CB-CG1 4.32Å; I18-V223 HydrophobicContact CG2-CG1 4.38Å; I18-V223 HydrophobicContact CG2-CG2 3.99Å; M67-V223 HydrophobicContact CB-CG1 4.03Å; M67-V223 HydrophobicContact CB-CG2 4.46Å; M67-V223 HydrophobicContact CG-CG1 3.94Å; M67-V223 WeakPolarHBondContact O-CG2 3.08Å; M67-V223 HydrophobicContact SD-CG1 3.84Å; A71-V223 HydrophobicContact CB-CG2 3.87Å; I219-V223 HydrophobicContact CD1-CB 4.43Å; I219-V223 HydrophobicContact CD1-CG1 3.99Å; P220-V223 HydrophobicContact CB-CG2 4.08Å; P220-V223 HydrophobicContact CG-CG2 4.2Å; P220-V223 WeakPolarHBondContact O-CA 3.39Å; P220-V223 WeakPolarHBondContact O-CB 3.43Å; P220-V223 PolarHBondContact O-N 3.15Å; D221-V223 VanDerWaalsContact C-N 3.27Å; D221-V223 PolarHBondContact O-N 3.45Å; V223-Y226 PolarHBondContact O-N 3.18Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 WeakPolarHBondContact O-CB 3.06Å; V223-I227 VanDerWaalsContact O-CG1 3.25Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 3.27Å |
| 224 | I | 98.7 | Very high | 97.5 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 174.6 | -56.6 | 175.2 | 0 | 0 | 0 | 110.2 | V215 K216 I219 P220 D221 I227 K228 | V215-I224 HydrophobicContact CG2-CD1 4.45Å; V215-I224 HydrophobicContact CG2-CG1 4.28Å; K216-I224 HydrophobicContact CB-CD1 4.28Å; K216-I224 HydrophobicContact CG-CD1 4.44Å; I219-I224 HydrophobicContact CD1-CG1 3.78Å; I219-I224 HydrophobicContact CG1-CD1 4.09Å; I219-I224 HydrophobicContact CG1-CG1 3.47Å; I219-I224 VanDerWaalsContact CG1-CG1 3.47Å; P220-I224 PolarHBondContact O-N 3.46Å; D221-I224 WeakPolarHBondContact O-CB 3.47Å; D221-I224 PolarHBondContact O-N 3.47Å; D221-I224 VanDerWaalsContact O-N 3.13Å; I224-I227 PolarHBondContact O-N 3.07Å; I224-K228 PolarHBondContact O-N 3.41Å |
| 225 | T | 98.7 | Very high | 96.6 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 47% | 0.466 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 176.2 | -59 | 0 | 0 | 0 | 0 | 110.9 | D221 I227 K228 D229 | D221-T225 PolarHBondContact O-N 2.74Å; D221-T225 PolarHBondContact O-OG1 2.97Å; T225-I227 PolarHBondContact O-N 2.95Å; T225-K228 WeakPolarHBondContact O-CB 3.33Å; T225-K228 PolarHBondContact O-N 2.79Å; T225-K228 VanDerWaalsContact O-N 3.15Å; T225-D229 WeakPolarHBondContact CG2-OD2 3.47Å; T225-D229 VanDerWaalsContact O-CG 3.22Å; T225-D229 PolarHBondContact O-N 3.42Å |
| 226 | Y | 98.8 | Very high | 94.9 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 178.2 | -173.4 | -89.6 | 0 | 0 | 0 | 113 | H63 A66 M67 L70 A222 V223 K228 D229 H230 L232 | H63-Y226 HydrophobicContact CB-CE1 4.11Å; H63-Y226 AromaticContact ND1-CE1 3.82Å; H63-Y226 AromaticContact ND1-CZ 3.79Å; H63-Y226 PolarHBondContact ND1-OH 2.67Å; A66-Y226 HydrophobicContact CB-CE1 4.33Å; A66-Y226 HydrophobicContact CB-CE2 3.83Å; M67-Y226 HydrophobicContact CG-CD1 3.36Å; M67-Y226 HydrophobicContact CG-CE1 3.84Å; M67-Y226 HydrophobicContact CG-CG 4.1Å; M67-Y226 HydrophobicContact SD-CD1 4.09Å; L70-Y226 HydrophobicContact CD1-CD2 3.58Å; L70-Y226 HydrophobicContact CD1-CG 3.79Å; A222-Y226 WeakPolarHBondContact O-CB 3.39Å; A222-Y226 PolarHBondContact O-N 3.34Å; V223-Y226 PolarHBondContact O-N 3.18Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 2.62Å; Y226-D229 PolarHBondContact O-N 3.43Å; Y226-H230 AromaticContact CD2-CE1 3.63Å; Y226-H230 AromaticContact CD2-ND1 3.86Å; Y226-H230 AromaticContact CE2-CE1 3.29Å; Y226-H230 WeakPolarHBondContact CE2-CE1 3.31Å; Y226-H230 AromaticContact CE2-ND1 3.77Å; Y226-H230 AromaticContact CE2-NE2 3.5Å; Y226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; Y226-H230 AromaticContact CZ-CD2 3.78Å; Y226-H230 AromaticContact CZ-CE1 3.71Å; Y226-H230 AromaticContact CZ-CG 3.98Å; Y226-H230 AromaticContact CZ-ND1 3.92Å; Y226-H230 AromaticContact CZ-NE2 3.59Å; Y226-H230 WeakPolarHBondContact O-CB 3.43Å; Y226-H230 PolarHBondContact O-N 3.26Å; Y226-H230 PolarHBondContact O-ND1 2.86Å; Y226-L232 HydrophobicContact CD1-CD1 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.98Å |
| 227 | I | 98.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 177.4 | -74.7 | 169.5 | 0 | 0 | 0 | 111 | P17 M67 L209 I219 V223 I224 T225 G231 L232 Y233 | P17-I227 HydrophobicContact CB-CD1 4.04Å; P17-I227 HydrophobicContact CG-CD1 3.99Å; M67-I227 HydrophobicContact SD-CD1 3.95Å; M67-I227 HydrophobicContact SD-CG1 3.56Å; M67-I227 VanDerWaalsContact SD-CG1 3.56Å; L209-I227 HydrophobicContact CD1-CD1 4.01Å; L209-I227 HydrophobicContact CD1-CG2 3.97Å; L209-I227 HydrophobicContact CD2-CG2 4.18Å; I219-I227 HydrophobicContact CD1-CD1 3.82Å; V223-I227 HydrophobicContact CG1-CD1 3.9Å; V223-I227 HydrophobicContact CG1-CG1 4.41Å; V223-I227 WeakPolarHBondContact O-CB 3.06Å; V223-I227 VanDerWaalsContact O-CG1 3.25Å; V223-I227 WeakPolarHBondContact O-CG1 3.41Å; V223-I227 PolarHBondContact O-N 3.27Å; I224-I227 PolarHBondContact O-N 3.07Å; T225-I227 PolarHBondContact O-N 2.95Å; I227-G231 PolarHBondContact O-N 3.33Å; I227-G231 VanDerWaalsContact O-N 3.11Å; I227-L232 HydrophobicContact CG2-CB 4.28Å; I227-L232 PolarHBondContact O-N 3.24Å; I227-Y233 HydrophobicContact CD1-CD2 4.06Å; I227-Y233 HydrophobicContact CD1-CE2 3.94Å; I227-Y233 HydrophobicContact CG1-CD2 4.14Å; I227-Y233 HydrophobicContact CG1-CE2 4.02Å; I227-Y233 HydrophobicContact CG2-CD2 4.08Å |
| 228 | K | 97.8 | Very high | 90.6 | Very high | 171 Ų | 171 | 59.2 Ų | 59.2 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.8 | -48.9 | 179.4 | -175.3 | -175 | 176.4 | -171.6 | 0 | 111.3 | I224 T225 Y226 H230 G231 | I224-K228 PolarHBondContact O-N 3.41Å; T225-K228 WeakPolarHBondContact O-CB 3.33Å; T225-K228 PolarHBondContact O-N 2.79Å; T225-K228 VanDerWaalsContact O-N 3.15Å; Y226-K228 VanDerWaalsContact C-N 3.31Å; Y226-K228 PolarHBondContact O-N 2.62Å; K228-H230 VanDerWaalsContact C-N 3.26Å; K228-H230 PolarHBondContact O-N 3.08Å; K228-G231 PolarHBondContact O-N 3.31Å |
| 229 | D | 98.3 | Very high | 87.6 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.1 | -29.7 | -175.5 | -65.4 | -12.7 | 0 | 0 | 0 | 112.4 | T225 Y226 | T225-D229 WeakPolarHBondContact CG2-OD2 3.47Å; T225-D229 VanDerWaalsContact O-CG 3.22Å; T225-D229 PolarHBondContact O-N 3.42Å; Y226-D229 PolarHBondContact O-N 3.43Å |
| 230 | H | 97.9 | Very high | 84.8 | Confident | 94 Ų | 94 | 74.8 Ų | 74.8 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 3.3 | 180 | -65 | 64.8 | 0 | 0 | 0 | 113.3 | H63 Y226 K228 L232 | H63-H230 AromaticContact CE1-CD2 3.78Å; H63-H230 AromaticContact ND1-CD2 3.94Å; Y226-H230 AromaticContact CD2-CE1 3.63Å; Y226-H230 AromaticContact CD2-ND1 3.86Å; Y226-H230 AromaticContact CE2-CE1 3.29Å; Y226-H230 WeakPolarHBondContact CE2-CE1 3.31Å; Y226-H230 AromaticContact CE2-ND1 3.77Å; Y226-H230 AromaticContact CE2-NE2 3.5Å; Y226-H230 WeakPolarHBondContact CE2-NE2 3.38Å; Y226-H230 AromaticContact CZ-CD2 3.78Å; Y226-H230 AromaticContact CZ-CE1 3.71Å; Y226-H230 AromaticContact CZ-CG 3.98Å; Y226-H230 AromaticContact CZ-ND1 3.92Å; Y226-H230 AromaticContact CZ-NE2 3.59Å; Y226-H230 WeakPolarHBondContact O-CB 3.43Å; Y226-H230 PolarHBondContact O-N 3.26Å; Y226-H230 PolarHBondContact O-ND1 2.86Å; K228-H230 VanDerWaalsContact C-N 3.26Å; K228-H230 PolarHBondContact O-N 3.08Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 HydrophobicContact CB-CD1 4.26Å; H230-L232 HydrophobicContact CB-CD2 4.27Å; H230-L232 HydrophobicContact CB-CG 3.88Å; H230-L232 PolarHBondContact O-N 3.12Å |
| 231 | G | 96.4 | Very high | 81.9 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | I227 K228 T234 | I227-G231 PolarHBondContact O-N 3.33Å; I227-G231 VanDerWaalsContact O-N 3.11Å; K228-G231 PolarHBondContact O-N 3.31Å; G231-T234 WeakPolarHBondContact O-CG2 3.36Å |
| 232 | L | 96.6 | Very high | 79 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 13% | 0.126 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 150.5 | -176.4 | -56.7 | 179.8 | 0 | 0 | 0 | 111.8 | H63 M67 Y226 I227 H230 T234 | H63-L232 HydrophobicContact CB-CD1 3.92Å; M67-L232 HydrophobicContact CE-CD1 4.34Å; M67-L232 HydrophobicContact SD-CD1 4.39Å; Y226-L232 HydrophobicContact CD1-CD1 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.98Å; I227-L232 HydrophobicContact CG2-CB 4.28Å; I227-L232 PolarHBondContact O-N 3.24Å; H230-L232 VanDerWaalsContact C-N 3.28Å; H230-L232 HydrophobicContact CB-CD1 4.26Å; H230-L232 HydrophobicContact CB-CD2 4.27Å; H230-L232 HydrophobicContact CB-CG 3.88Å; H230-L232 PolarHBondContact O-N 3.12Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.99Å |
| 233 | Y | 94.9 | Very high | 75.9 | Confident | 21 Ų | 21 | 83.5 Ų | 83.5 | 8% | 0.082 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 27.7 | 173.4 | -46.6 | -61.5 | 0 | 0 | 0 | 115.6 | N16 P17 A59 M67 R206 L209 G210 I227 | N16-Y233 VanDerWaalsContact C-OH 3.31Å; N16-Y233 VanDerWaalsContact OD1-CE1 3.26Å; N16-Y233 WeakPolarHBondContact OD1-CE1 3.32Å; N16-Y233 PolarHBondContact OD1-OH 2.85Å; P17-Y233 HydrophobicContact CB-CE2 4Å; P17-Y233 HydrophobicContact CG-CE2 4.06Å; A59-Y233 HydrophobicContact CB-CE1 4Å; M67-Y233 HydrophobicContact CE-CE2 4.3Å; M67-Y233 WeakPolarHBondContact CE-OH 3.13Å; M67-Y233 HydrophobicContact SD-CE2 4.4Å; R206-Y233 HydrophobicContact CB-CD1 4.34Å; R206-Y233 HydrophobicContact CG-CD1 3.54Å; R206-Y233 HydrophobicContact CG-CE1 3.78Å; R206-Y233 HydrophobicContact CG-CG 3.98Å; L209-Y233 HydrophobicContact CD1-CD2 3.8Å; L209-Y233 HydrophobicContact CD1-CG 4.26Å; G210-Y233 WeakPolarHBondContact CA-O 3.42Å; G210-Y233 PolarHBondContact N-O 3.28Å; I227-Y233 HydrophobicContact CD1-CD2 4.06Å; I227-Y233 HydrophobicContact CD1-CE2 3.94Å; I227-Y233 HydrophobicContact CG1-CD2 4.14Å; I227-Y233 HydrophobicContact CG1-CE2 4.02Å; I227-Y233 HydrophobicContact CG2-CD2 4.08Å |
| 234 | T | 89.5 | Confident | 72.9 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 37% | 0.368 | 48% | 0.48 | S | S | . | . | trans | -76.2 | 159.2 | 173.4 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | G231 L232 D236 S237 | G231-T234 WeakPolarHBondContact O-CG2 3.36Å; L232-T234 VanDerWaalsContact C-N 3.27Å; L232-T234 PolarHBondContact O-N 2.99Å; T234-D236 PolarHBondContact O-N 3.22Å; T234-D236 VanDerWaalsContact O-N 3.11Å; T234-S237 PolarHBondContact N-OG 2.9Å; T234-S237 PolarHBondContact O-N 3.49Å; T234-S237 VanDerWaalsContact O-N 3.08Å; T234-S237 PolarHBondContact O-OG 3.33Å; T234-S237 PolarHBondContact OG1-OG 3.44Å | ||
| 235 | K | 78.4 | Confident | 69.9 | Low | 146 Ų | 146 | 96.8 Ų | 96.8 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -36.5 | 175.4 | -95.6 | 163.7 | -177 | -179.1 | 0 | 113.4 | G210 | G210-K235 WeakPolarHBondContact O-CD 3.16Å; G210-K235 WeakPolarHBondContact O-CE 3.35Å; G210-K235 VanDerWaalsContact O-CG 3.22Å; G210-K235 WeakPolarHBondContact O-CG 3.5Å |
| 236 | D | 62.2 | Low | 66.6 | Low | 121 Ų | 121 | 98.7 Ų | 98.7 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -24.8 | -176.8 | -59.4 | -30.3 | 0 | 0 | 0 | 113.4 | T234 A238 W239 K240 | T234-D236 PolarHBondContact O-N 3.22Å; T234-D236 VanDerWaalsContact O-N 3.11Å; D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 2.94Å; D236-W239 PolarHBondContact O-N 3.36Å; D236-W239 VanDerWaalsContact O-N 3.14Å; D236-K240 PolarHBondContact O-N 3.07Å |
| 237 | S | 57.8 | Low | 63.8 | Low | 56 Ų | 56 | 102 Ų | 102 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -24.5 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | T234 W239 | T234-S237 PolarHBondContact N-OG 2.9Å; T234-S237 PolarHBondContact O-N 3.49Å; T234-S237 VanDerWaalsContact O-N 3.08Å; T234-S237 PolarHBondContact O-OG 3.33Å; T234-S237 PolarHBondContact OG1-OG 3.44Å; S237-W239 VanDerWaalsContact C-N 3.35Å |
| 238 | A | 48.3 | Very low | 60.5 | Low | 55 Ų | 55 | 111 Ų | 111 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -20.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D236 | D236-A238 VanDerWaalsContact C-N 3.3Å; D236-A238 PolarHBondContact O-N 2.94Å |
| 239 | W | 34.8 | Very low | 57.3 | Low | 194 Ų | 194 | 106.1 Ų | 106.1 | 74% | 0.735 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -29.8 | -179.8 | -153.2 | -62 | 0 | 0 | 0 | 112.7 | D236 S237 G241 K242 | D236-W239 PolarHBondContact O-N 3.36Å; D236-W239 VanDerWaalsContact O-N 3.14Å; S237-W239 VanDerWaalsContact C-N 3.35Å; W239-G241 PolarHBondContact O-N 3.25Å; W239-G241 VanDerWaalsContact O-N 3.16Å; W239-K242 PolarHBondContact O-N 3.28Å |
| 240 | K | 38.3 | Very low | 53.9 | Low | 177 Ų | 177 | 110.2 Ų | 110.2 | 77% | 0.77 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -64.1 | -17.6 | 176.6 | -76.5 | -171.6 | 176.9 | -177.6 | 0 | 114.4 | D236 K242 | D236-K240 PolarHBondContact O-N 3.07Å; K240-K242 VanDerWaalsContact C-N 3.32Å |
| 241 | G | 38.8 | Very low | 50.5 | Low | 69 Ų | 69 | 111.8 Ų | 111.8 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -81.4 | -1.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | W239 | W239-G241 PolarHBondContact O-N 3.25Å; W239-G241 VanDerWaalsContact O-N 3.16Å |
| 242 | K | 37.7 | Very low | 47.3 | Very low | 162 Ų | 162 | 119.1 Ų | 119.1 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -101.9 | -1.8 | -176.5 | -85.6 | -173.8 | 174.2 | -177.6 | 0 | 115.3 | W239 K240 | W239-K242 PolarHBondContact O-N 3.28Å; K240-K242 VanDerWaalsContact C-N 3.32Å |
| 243 | S | 33.4 | Very low | 44.9 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107.3 | 18.1 | -170 | 58.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 244 | T | 35.7 | Very low | 42.2 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -139 | 45.5 | 174.4 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 245 | Q | 34.7 | Very low | 39.6 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -131.1 | 79.1 | 151 | -77.8 | -173.2 | -0 | 0 | 0 | 107.8 | ||||
| 246 | S | 30.8 | Very low | 37.3 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -68 | 131.2 | 156.7 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | E248 | S246-E248 PolarHBondContact O-N 3.02Š| ||
| 247 | A | 39.4 | Very low | 35.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -48.1 | 127.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 248 | E | 29.9 | Very low | 34.3 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -149.8 | 109.9 | 145.8 | -108.4 | 173.9 | -161.2 | 0 | 0 | 106.9 | S246 | S246-E248 PolarHBondContact O-N 3.02Š| ||
| 249 | G | 28.9 | Very low | 33.3 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -72.4 | 160 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 250 | K | 27.4 | Very low | 33.2 | Very low | 199 Ų | 199 | 140.4 Ų | 140.4 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -171.2 | 122 | 131.6 | -101.9 | 160.1 | -173.2 | 179.4 | 0 | 111 | ||||
| 251 | T | 25.9 | Very low | 32.8 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | trans | -14.5 | 124.9 | 141.8 | 48.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 252 | S | 30.8 | Very low | 32.2 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 100% | 1.364 | 85% | 0.847 | S | S | * | * | 174.4 | 0 | 97.3 | -100.9 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 252 of 252 residues in 671.4 ms
(Link to these results)