| 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 | 34.4 | Very low | 69.2 | Low | 241 Ų | 241 | 87.3 Ų | 87.3 | 100% | 1.187 | 49% | 0.488 | S | S | * | . | 0 | 114.3 | 0 | -63.3 | -176.9 | -153.1 | 0 | 0 | 106.6 | S3 | M1-S3 PolarHBondContact O-N 3Š| |||
| 2 | A | 33.9 | Very low | 71.5 | Confident | 99 Ų | 99 | 81.3 Ų | 81.3 | 82% | 0.818 | 45% | 0.454 | S | S | * | . | trans | -59.9 | 125.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | V4 | A2-V4 PolarHBondContact O-N 3.18Š| ||
| 3 | S | 40.5 | Very low | 73.6 | Confident | 102 Ų | 102 | 75 Ų | 75 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | trans | -58.6 | 114.3 | 176 | 58 | 0 | 0 | 0 | 0 | 107.8 | M1 L5 | M1-S3 PolarHBondContact O-N 3Å; S3-L5 PolarHBondContact O-N 3.38Å | ||
| 4 | V | 52.3 | Low | 75.4 | Confident | 111 Ų | 111 | 69.6 Ų | 69.6 | 67% | 0.673 | 39% | 0.389 | S | S | * | . | trans | -58.6 | 108.3 | 172.6 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | A2 | A2-V4 PolarHBondContact O-N 3.18Š| ||
| 5 | L | 61.5 | Low | 76.9 | Confident | 88 Ų | 88 | 65 Ų | 65 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 127.7 | 175.8 | -82.8 | 166.1 | 0 | 0 | 0 | 106.6 | S3 Y7 | S3-L5 PolarHBondContact O-N 3.38Å; L5-Y7 PolarHBondContact O-N 2.8Å |
| 6 | P | 74.8 | Confident | 78.3 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 136.9 | -170 | 37.2 | -40.9 | 0 | 0 | 0 | 107.8 | R233 | P6-R233 PolarHBondContact O-NH1 3.27Š|
| 7 | Y | 88.5 | Confident | 79.4 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 146.7 | -172.7 | 174.6 | -103.4 | 0 | 0 | 0 | 114 | L5 F140 G142 M187 Y231 R233 | L5-Y7 PolarHBondContact O-N 2.8Å; Y7-F140 HydrophobicContact CD2-CD1 4.26Å; Y7-F140 HydrophobicContact CD2-CE1 4.28Å; Y7-F140 AromaticContact CE2-CD1 3.92Å; Y7-F140 HydrophobicContact CE2-CD1 3.92Å; Y7-F140 HydrophobicContact CE2-CE1 4.39Å; Y7-F140 WeakPolarHBondContact CE2-O 3.39Å; Y7-F140 PolarHBondContact OH-O 2.89Å; Y7-G142 VanDerWaalsContact CD2-CA 3.48Å; Y7-M187 HydrophobicContact CE1-CB 3.54Å; Y7-M187 HydrophobicContact CE1-CG 3.91Å; Y7-M187 WeakPolarHBondContact OH-CB 3.29Å; Y7-M187 WeakPolarHBondContact OH-CG 3.49Å; Y7-Y231 AromaticContact CD1-CD1 3.79Å; Y7-Y231 HydrophobicContact CD1-CD1 3.79Å; Y7-Y231 AromaticContact CD1-CE1 3.87Å; Y7-Y231 HydrophobicContact CD1-CE1 3.87Å; Y7-Y231 AromaticContact CE1-CD1 3.65Å; Y7-Y231 HydrophobicContact CE1-CD1 3.65Å; Y7-Y231 HydrophobicContact CE1-CE1 4.22Å; Y7-R233 PolarHBondContact O-NH1 3.38Å |
| 8 | G | 91.9 | Very high | 80.4 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 8.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | F10 R233 | G8-F10 WeakPolarHBondContact O-CD2 3.4Å; G8-F10 WeakPolarHBondContact O-CE2 3.34Å; G8-R233 PolarHBondContact O-N 2.91Å |
| 9 | R | 93 | Very high | 81.2 | Confident | 122 Ų | 122 | 52.7 Ų | 52.7 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | trans | -76.6 | 125.6 | 167.7 | -74.3 | -174.2 | 173 | 175.9 | 1.6 | 109.5 | R233 N287 | R9-R233 HydrophobicContact CG-CB 4Å; R9-R233 HydrophobicContact CG-CG 3.99Å; R9-N287 WeakPolarHBondContact O-CB 3.44Å; R9-N287 PolarHBondContact O-ND2 2.88Å | ||
| 10 | F | 94.9 | Very high | 81.9 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | trans | -134.7 | 156.8 | 177.7 | -55.4 | -69.3 | 0 | 0 | 0 | 110.8 | G8 L62 V232 L285 N287 | G8-F10 WeakPolarHBondContact O-CD2 3.4Å; G8-F10 WeakPolarHBondContact O-CE2 3.34Å; F10-L62 HydrophobicContact CB-CD1 4.5Å; F10-L62 HydrophobicContact CB-CD2 4Å; F10-L62 WeakPolarHBondContact O-CD2 3.34Å; F10-V232 HydrophobicContact CD2-CB 4.45Å; F10-V232 HydrophobicContact CD2-CG1 4.06Å; F10-V232 HydrophobicContact CD2-CG2 4.09Å; F10-L285 HydrophobicContact CB-CB 4.38Å; F10-L285 HydrophobicContact CD1-CB 3.5Å; F10-L285 HydrophobicContact CD2-CB 3.93Å; F10-L285 HydrophobicContact CD2-CD1 3.73Å; F10-L285 HydrophobicContact CD2-CG 4.34Å; F10-L285 HydrophobicContact CE1-CB 3.59Å; F10-L285 HydrophobicContact CE2-CB 4.01Å; F10-L285 HydrophobicContact CE2-CD1 3.54Å; F10-L285 HydrophobicContact CE2-CG 4.41Å; F10-L285 HydrophobicContact CG-CB 3.67Å; F10-L285 HydrophobicContact CG-CD1 4.33Å; F10-L285 HydrophobicContact CG-CG 4.47Å; F10-L285 HydrophobicContact CZ-CB 3.85Å; F10-L285 HydrophobicContact CZ-CD1 4Å; F10-N287 HydrophobicContact CD1-CB 4.41Å | ||
| 11 | T | 94.9 | Very high | 82.5 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -120.1 | -34.3 | -178.9 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | Q63 I286 R288 | T11-Q63 PolarHBondContact O-N 3.04Å; T11-I286 PolarHBondContact N-O 3.34Å; T11-I286 PolarHBondContact OG1-O 3.22Å; T11-R288 PolarHBondContact OG1-N 3.19Å |
| 12 | H | 97.4 | Very high | 85.2 | Confident | 15 Ų | 15 | 45 Ų | 45 | 7% | 0.069 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.6 | -178.7 | -57.3 | 68 | 0 | 0 | 0 | 110.1 | Q63 I286 | H12-Q63 CarbonylContact C-O 3.6Å; H12-Q63 WeakPolarHBondContact CA-O 3.41Å; H12-Q63 PolarHBondContact NE2-OE1 3.44Å; H12-I286 HydrophobicContact CB-CB 4.28Å; H12-I286 PolarHBondContact N-O 3.37Å; H12-I286 VanDerWaalsContact N-O 3.15Å; H12-I286 PolarHBondContact O-N 3.08Å |
| 13 | A | 98.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | L56 L62 Q63 L64 I65 L284 L285 | A13-L56 HydrophobicContact CB-CD1 4.03Å; A13-L62 HydrophobicContact CB-CB 4.42Å; A13-L62 HydrophobicContact CB-CD1 3.95Å; A13-Q63 PolarHBondContact N-O 3.08Å; A13-L64 HydrophobicContact CB-CD1 3.95Å; A13-L64 WeakPolarHBondContact O-CA 3.46Å; A13-I65 PolarHBondContact O-N 3.29Å; A13-L284 CarbonylContact C-O 3.53Å; A13-L284 WeakPolarHBondContact CA-O 3.48Å; A13-L285 HydrophobicContact CB-CD2 3.81Å |
| 14 | V | 98.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.7 | 169.7 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | I65 I67 I79 V110 M111 L114 C283 L284 I286 | V14-I65 WeakPolarHBondContact CA-O 3.24Å; V14-I65 HydrophobicContact CG2-CB 4.3Å; V14-I65 HydrophobicContact CG2-CD1 4.38Å; V14-I67 HydrophobicContact CG1-CD1 3.89Å; V14-I67 HydrophobicContact CG1-CG1 4.08Å; V14-I79 HydrophobicContact CB-CD1 4.31Å; V14-I79 HydrophobicContact CG1-CD1 3.7Å; V14-V110 HydrophobicContact CG1-CG1 3.88Å; V14-V110 HydrophobicContact CG2-CG1 3.82Å; V14-M111 HydrophobicContact CB-CE 4.27Å; V14-M111 HydrophobicContact CG1-CE 4.41Å; V14-M111 HydrophobicContact CG2-CE 3.9Å; V14-L114 HydrophobicContact CG2-CD1 4.14Å; V14-C283 CarbonylContact O-C 3.17Å; V14-C283 VanDerWaalsContact O-CA 3.32Å; V14-C283 WeakPolarHBondContact O-CA 3.45Å; V14-L284 HydrophobicContact CB-CB 4.26Å; V14-L284 PolarHBondContact N-O 2.79Å; V14-L284 PolarHBondContact O-N 3Å; V14-I286 HydrophobicContact CG2-CD1 3.66Å |
| 15 | V | 98.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 161.8 | -179.7 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | F49 T53 L56 L64 I65 E66 I67 F282 C283 | V15-F49 HydrophobicContact CB-CE2 4.06Å; V15-F49 HydrophobicContact CB-CZ 3.97Å; V15-F49 HydrophobicContact CG2-CE2 4.47Å; V15-F49 HydrophobicContact CG2-CZ 3.91Å; V15-T53 HydrophobicContact CB-CG2 4.39Å; V15-T53 HydrophobicContact CG1-CG2 4.32Å; V15-T53 HydrophobicContact CG2-CG2 3.98Å; V15-L56 HydrophobicContact CG1-CD1 4.42Å; V15-L64 HydrophobicContact CB-CD1 4.44Å; V15-L64 HydrophobicContact CG1-CD1 3.71Å; V15-L64 HydrophobicContact CG2-CD1 3.82Å; V15-L64 HydrophobicContact CG2-CD2 4.22Å; V15-L64 HydrophobicContact CG2-CG 4.01Å; V15-I65 PolarHBondContact N-O 2.59Å; V15-E66 HydrophobicContact CG2-CB 4.02Å; V15-E66 HydrophobicContact CG2-CG 4.09Å; V15-I67 PolarHBondContact O-N 3.25Å; V15-F282 WeakPolarHBondContact CG1-O 3.37Å; V15-C283 HydrophobicContact CG1-CB 3.92Å |
| 16 | R | 98.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.2 | 175 | -171.2 | 156.7 | -175.8 | -175 | 1.8 | 110.9 | F49 I67 D70 S76 I79 E103 | R16-F49 WeakPolarHBondContact O-CE2 3.4Å; R16-F49 WeakPolarHBondContact O-CZ 3.48Å; R16-I67 WeakPolarHBondContact CA-O 3.48Å; R16-I67 HydrophobicContact CB-CB 4.2Å; R16-I67 HydrophobicContact CG-CB 4.02Å; R16-I67 HydrophobicContact CG-CG2 4.07Å; R16-D70 IonicContact NH2-OD2 3.94Å; R16-S76 WeakPolarHBondContact CD-O 3.34Å; R16-S76 VanDerWaalsContact CZ-CB 3.48Å; R16-I79 HydrophobicContact CB-CB 4.31Å; R16-I79 HydrophobicContact CB-CD1 4.24Å; R16-E103 PolarHBondContact NH1-O 3.18Å |
| 17 | G | 97.8 | Very high | 88.9 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 152.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P19 I67 A69 | G17-P19 WeakPolarHBondContact O-CD 3.44Å; G17-I67 PolarHBondContact N-O 3.16Å; G17-A69 WeakPolarHBondContact O-CB 3.28Å |
| 18 | I | 97.5 | Very high | 86.8 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 118 | 176.7 | -55 | -67.5 | 0 | 0 | 0 | 109.4 | F22 L42 A45 Q46 F49 W77 F282 | I18-F22 HydrophobicContact CD1-CD2 4.42Å; I18-F22 HydrophobicContact CD1-CE2 4.35Å; I18-F22 HydrophobicContact CG2-CB 3.61Å; I18-F22 HydrophobicContact CG2-CD1 4.26Å; I18-F22 HydrophobicContact CG2-CD2 3.66Å; I18-F22 HydrophobicContact CG2-CE2 4.35Å; I18-F22 HydrophobicContact CG2-CG 3.61Å; I18-L42 HydrophobicContact CG2-CD1 3.86Å; I18-A45 HydrophobicContact CG2-CB 4.39Å; I18-Q46 HydrophobicContact CB-CG 4.06Å; I18-Q46 HydrophobicContact CG2-CG 4.28Å; I18-F49 HydrophobicContact CD1-CB 4.29Å; I18-F49 HydrophobicContact CD1-CD2 4.49Å; I18-F49 HydrophobicContact CD1-CG 4.41Å; I18-F49 HydrophobicContact CG1-CB 3.76Å; I18-F49 HydrophobicContact CG1-CD1 4.3Å; I18-F49 HydrophobicContact CG1-CD2 4.46Å; I18-F49 HydrophobicContact CG1-CG 3.93Å; I18-W77 HydrophobicContact CD1-CB 3.64Å; I18-W77 HydrophobicContact CD1-CG 4.05Å; I18-F282 HydrophobicContact CD1-CD1 4.35Å; I18-F282 HydrophobicContact CD1-CE1 3.79Å |
| 19 | P | 96.2 | Very high | 84.3 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 156.9 | -179.4 | 31.1 | -35.6 | 0 | 0 | 0 | 112 | G17 T21 F22 L42 A69 D70 | G17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-T21 PolarHBondContact O-N 2.62Å; P19-T21 VanDerWaalsContact O-N 3.14Å; P19-F22 HydrophobicContact CG-CB 4.45Å; P19-F22 WeakPolarHBondContact O-CB 3.4Å; P19-F22 PolarHBondContact O-N 3.32Å; P19-L42 WeakPolarHBondContact O-CD1 3.41Å; P19-A69 HydrophobicContact CB-CB 4.2Å; P19-D70 WeakPolarHBondContact CB-O 3.31Å |
| 20 | E | 94.6 | Very high | 81.5 | Confident | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.673 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.3 | 174.4 | -62.3 | -174.8 | 170.2 | 0 | 0 | 112.9 | F22 | E20-F22 VanDerWaalsContact C-N 3.33Š|
| 21 | T | 93.4 | Very high | 78.8 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 6 | 174.7 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | P19 G23 K24 P71 P74 | P19-T21 PolarHBondContact O-N 2.62Å; P19-T21 VanDerWaalsContact O-N 3.14Å; T21-G23 PolarHBondContact O-N 2.81Å; T21-K24 VanDerWaalsContact O-CB 3.26Å; T21-K24 WeakPolarHBondContact O-CB 3.29Å; T21-K24 PolarHBondContact O-N 2.85Å; T21-P71 WeakPolarHBondContact CB-O 3.35Å; T21-P71 WeakPolarHBondContact CG2-O 3.36Å; T21-P71 PolarHBondContact OG1-O 3.44Å; T21-P74 VanDerWaalsContact O-CB 3.32Å; T21-P74 WeakPolarHBondContact O-CB 3.15Å |
| 22 | F | 92.3 | Very high | 75.9 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 4% | 0.039 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 126.6 | 176.8 | 175.9 | -98.4 | 0 | 0 | 0 | 112.3 | I18 P19 E20 K24 M40 L42 A45 W77 E271 L275 | I18-F22 HydrophobicContact CD1-CD2 4.42Å; I18-F22 HydrophobicContact CD1-CE2 4.35Å; I18-F22 HydrophobicContact CG2-CB 3.61Å; I18-F22 HydrophobicContact CG2-CD1 4.26Å; I18-F22 HydrophobicContact CG2-CD2 3.66Å; I18-F22 HydrophobicContact CG2-CE2 4.35Å; I18-F22 HydrophobicContact CG2-CG 3.61Å; P19-F22 HydrophobicContact CG-CB 4.45Å; P19-F22 WeakPolarHBondContact O-CB 3.4Å; P19-F22 PolarHBondContact O-N 3.32Å; E20-F22 VanDerWaalsContact C-N 3.33Å; F22-K24 VanDerWaalsContact C-N 3.26Å; F22-K24 PolarHBondContact O-N 2.89Å; F22-M40 HydrophobicContact CD1-CE 3.92Å; F22-M40 HydrophobicContact CE1-CE 3.16Å; F22-M40 HydrophobicContact CZ-CE 3.62Å; F22-L42 HydrophobicContact CB-CD1 3.92Å; F22-L42 HydrophobicContact CD1-CD1 4.46Å; F22-A45 HydrophobicContact CD1-CB 3.98Å; F22-A45 HydrophobicContact CE1-CB 3.47Å; F22-A45 VanDerWaalsContact CE1-CB 3.47Å; F22-A45 HydrophobicContact CZ-CB 3.89Å; F22-W77 AromaticContact CD2-CD1 3.54Å; F22-W77 HydrophobicContact CD2-CD2 4.27Å; F22-W77 AromaticContact CD2-CE2 3.85Å; F22-W77 HydrophobicContact CD2-CG 4.09Å; F22-W77 AromaticContact CD2-NE1 3.37Å; F22-W77 AromaticContact CE2-CD1 3.93Å; F22-W77 AromaticContact CE2-CD2 3.86Å; F22-W77 HydrophobicContact CE2-CD2 3.86Å; F22-W77 AromaticContact CE2-CE2 3.43Å; F22-W77 VanDerWaalsContact CE2-CE2 3.43Å; F22-W77 HydrophobicContact CE2-CG 4.15Å; F22-W77 HydrophobicContact CE2-CH2 4.44Å; F22-W77 AromaticContact CE2-CZ2 3.76Å; F22-W77 HydrophobicContact CE2-CZ2 3.76Å; F22-W77 AromaticContact CE2-NE1 3.49Å; F22-E271 HydrophobicContact CE1-CB 4.37Å; F22-L275 HydrophobicContact CD2-CD1 4.31Å; F22-L275 HydrophobicContact CE1-CD1 4.35Å; F22-L275 HydrophobicContact CE2-CD1 3.85Å; F22-L275 HydrophobicContact CZ-CD1 3.86Å |
| 23 | G | 86.2 | Confident | 73.1 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 27% | 0.268 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -5.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T21 V25 | T21-G23 PolarHBondContact O-N 2.81Å; G23-V25 PolarHBondContact O-N 2.78Å |
| 24 | K | 82.8 | Confident | 70 | Confident | 139 Ų | 139 | 87.3 Ų | 87.3 | 60% | 0.604 | 43% | 0.432 | S | S | * | . | trans | -89.8 | 92.7 | 169.6 | -54.4 | -179.8 | -172.4 | 168 | 0 | 107.7 | T21 F22 P74 | T21-K24 VanDerWaalsContact O-CB 3.26Å; T21-K24 WeakPolarHBondContact O-CB 3.29Å; T21-K24 PolarHBondContact O-N 2.85Å; F22-K24 VanDerWaalsContact C-N 3.26Å; F22-K24 PolarHBondContact O-N 2.89Å; K24-P74 VanDerWaalsContact O-CB 3.25Å; K24-P74 WeakPolarHBondContact O-CB 3.2Å; K24-P74 WeakPolarHBondContact O-CG 3.11Å | ||
| 25 | V | 66.2 | Low | 67 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | trans | -95.3 | 125.6 | 173 | -173.4 | 0 | 0 | 0 | 0 | 107.5 | G23 D27 | G23-V25 PolarHBondContact O-N 2.78Å; V25-D27 PolarHBondContact O-N 3.45Å | ||
| 26 | E | 55.5 | Low | 64.2 | Low | 175 Ų | 175 | 96.9 Ų | 96.9 | 82% | 0.818 | 50% | 0.497 | S | S | * | . | trans | -72.9 | 107 | 168 | -71.7 | -172.5 | 160.1 | 0 | 0 | 108.5 | E28 | E26-E28 PolarHBondContact O-N 3.34Å; E26-E28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | D | 49.4 | Very low | 61.7 | Low | 123 Ų | 123 | 104.5 Ų | 104.5 | 66% | 0.658 | 53% | 0.533 | S | S | * | . | trans | -72.9 | 101.1 | 173.1 | -100.9 | -30 | 0 | 0 | 0 | 109.9 | V25 K29 | V25-D27 PolarHBondContact O-N 3.45Å; D27-K29 PolarHBondContact O-N 3Å; D27-K29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | E | 45.1 | Very low | 59.7 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -1.9 | 176.6 | -80.9 | -168.2 | 159 | 0 | 0 | 114.4 | E26 Q99 | E26-E28 PolarHBondContact O-N 3.34Å; E26-E28 VanDerWaalsContact O-N 3.15Å; E28-Q99 PolarHBondContact OE1-NE2 3.12Å; E28-Q99 PolarHBondContact OE2-NE2 3.19Å |
| 29 | K | 39.2 | Very low | 58.8 | Low | 196 Ų | 196 | 112.8 Ų | 112.8 | 85% | 0.852 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.3 | 6.4 | -176.4 | -81.7 | -168.8 | 178.5 | 177.1 | 0 | 117.9 | D27 | D27-K29 PolarHBondContact O-N 3Å; D27-K29 VanDerWaalsContact O-N 3.09Å |
| 30 | N | 35.2 | Very low | 58.4 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | trans | -147.3 | 107.2 | 170.1 | -101.9 | -17.9 | 0 | 0 | 0 | 111.6 | R32 | N30-R32 HydrophobicContact CB-CB 4.21Å; N30-R32 PolarHBondContact O-N 3.24Å | ||
| 31 | N | 37.5 | Very low | 58.5 | Low | 186 Ų | 186 | 111.3 Ų | 111.3 | 100% | 0.995 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -66.6 | 49.8 | 150.5 | -102.7 | -14.3 | 0 | 0 | 0 | 110.2 | ||
| 32 | R | 34.5 | Very low | 58.5 | Low | 178 Ų | 178 | 112.3 Ų | 112.3 | 67% | 0.672 | 58% | 0.582 | S | S | * | * | trans | -138.3 | 94.3 | 170.7 | -73.4 | -173.8 | 178.1 | -178.5 | 0.6 | 105 | N30 E34 | N30-R32 HydrophobicContact CB-CB 4.21Å; N30-R32 PolarHBondContact O-N 3.24Å; R32-E34 PolarHBondContact O-N 2.78Å | ||
| 33 | V | 36.8 | Very low | 58.8 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 81% | 0.806 | 61% | 0.605 | S | S | * | * | trans | -56.6 | 85.5 | 154 | -176.6 | 0 | 0 | 0 | 0 | 105.4 | N35 | V33-N35 PolarHBondContact O-N 3Å; V33-N35 VanDerWaalsContact O-N 3.11Å | ||
| 34 | E | 34.1 | Very low | 59.3 | Low | 166 Ų | 166 | 116.5 Ų | 116.5 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -67.2 | 107.7 | 162.5 | -91.9 | -173.3 | 171.6 | 0 | 0 | 105.2 | R32 G36 | R32-E34 PolarHBondContact O-N 2.78Å; E34-G36 PolarHBondContact O-N 2.98Å | ||
| 35 | N | 34.9 | Very low | 60 | Low | 142 Ų | 142 | 110.1 Ų | 110.1 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | trans | -56.2 | 81.7 | 171.2 | -80.4 | -16.7 | 0 | 0 | 0 | 110.2 | V33 | V33-N35 PolarHBondContact O-N 3Å; V33-N35 VanDerWaalsContact O-N 3.11Å | ||
| 36 | G | 40.2 | Very low | 61.6 | Low | 59 Ų | 59 | 111.4 Ų | 111.4 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | trans | -116.7 | 80.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | E34 T38 | E34-G36 PolarHBondContact O-N 2.98Å; G36-T38 PolarHBondContact O-N 3.47Å | ||
| 37 | E | 46 | Very low | 63.6 | Low | 167 Ų | 167 | 110.5 Ų | 110.5 | 78% | 0.78 | 57% | 0.569 | S | S | * | * | trans | -60.7 | 76.2 | 173.1 | -78.8 | -176.9 | 151.1 | 0 | 0 | 109.5 | T39 | E37-T39 HydrophobicContact CB-CG2 4.45Å; E37-T39 PolarHBondContact O-N 3.14Å | ||
| 38 | T | 57.3 | Low | 65.9 | Low | 85 Ų | 85 | 105.3 Ų | 105.3 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | trans | -78.8 | 83.7 | 162 | -42.1 | 0 | 0 | 0 | 0 | 104.8 | G36 M40 K274 | G36-T38 PolarHBondContact O-N 3.47Å; T38-M40 PolarHBondContact O-N 3.2Å; T38-M40 VanDerWaalsContact O-N 3.08Å; T38-K274 HydrophobicContact CG2-CB 4Å; T38-K274 HydrophobicContact CG2-CD 3.69Å; T38-K274 HydrophobicContact CG2-CG 3.78Å | ||
| 39 | T | 78.3 | Confident | 68.5 | Low | 106 Ų | 106 | 98.9 Ų | 98.9 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | trans | -58.8 | 118.2 | 176 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | E37 K274 | E37-T39 HydrophobicContact CB-CG2 4.45Å; E37-T39 PolarHBondContact O-N 3.14Å; T39-K274 PolarHBondContact O-NZ 3.27Å | ||
| 40 | M | 87.7 | Confident | 71.3 | Confident | 44 Ų | 44 | 91.3 Ų | 91.3 | 22% | 0.217 | 49% | 0.488 | C | S | . | . | trans | -84.7 | 123.5 | 179.6 | -62.7 | -65 | -63.2 | 0 | 0 | 107.9 | F22 T38 L42 E271 K274 L275 | F22-M40 HydrophobicContact CD1-CE 3.92Å; F22-M40 HydrophobicContact CE1-CE 3.16Å; F22-M40 HydrophobicContact CZ-CE 3.62Å; T38-M40 PolarHBondContact O-N 3.2Å; T38-M40 VanDerWaalsContact O-N 3.08Å; M40-L42 PolarHBondContact O-N 3.47Å; M40-E271 WeakPolarHBondContact CE-O 3.47Å; M40-K274 HydrophobicContact CE-CB 4.3Å; M40-K274 HydrophobicContact CE-CD 4.45Å; M40-K274 HydrophobicContact SD-CB 3.75Å; M40-K274 HydrophobicContact SD-CD 3.71Å; M40-K274 HydrophobicContact SD-CG 4.41Å; M40-L275 HydrophobicContact CE-CD1 3.55Å; M40-L275 HydrophobicContact CE-CD2 4.06Å; M40-L275 HydrophobicContact CE-CG 3.55Å; M40-L275 HydrophobicContact SD-CD2 4.13Å; M40-L275 HydrophobicContact SD-CG 4.18Å | ||
| 41 | D | 95.1 | Very high | 74.3 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | trans | -90.5 | 93 | 175.1 | -177.9 | -15.9 | 0 | 0 | 0 | 108.5 | A43 K44 A45 E271 | D41-A43 VanDerWaalsContact C-N 3.29Å; D41-A43 PolarHBondContact O-N 2.86Å; D41-A43 PolarHBondContact OD1-N 3.01Å; D41-K44 HydrophobicContact CB-CB 3.79Å; D41-K44 PolarHBondContact O-N 2.85Å; D41-K44 WeakPolarHBondContact OD1-CB 3.16Å; D41-K44 PolarHBondContact OD1-N 2.91Å; D41-K44 VanDerWaalsContact OD2-CB 3.3Å; D41-K44 WeakPolarHBondContact OD2-CB 2.82Å; D41-A45 PolarHBondContact O-N 3.42Å; D41-E271 PolarHBondContact N-OE2 2.72Å | ||
| 42 | L | 95.5 | Very high | 77.2 | Confident | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.272 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.8 | -42.5 | -179.8 | 174.9 | 63.1 | 0 | 0 | 0 | 112 | I18 P19 F22 M40 K44 A45 Q46 | I18-L42 HydrophobicContact CG2-CD1 3.86Å; P19-L42 WeakPolarHBondContact O-CD1 3.41Å; F22-L42 HydrophobicContact CB-CD1 3.92Å; F22-L42 HydrophobicContact CD1-CD1 4.46Å; M40-L42 PolarHBondContact O-N 3.47Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.11Å; L42-A45 PolarHBondContact O-N 2.9Å; L42-Q46 HydrophobicContact CD1-CG 4.17Å; L42-Q46 WeakPolarHBondContact O-CG 3.34Å; L42-Q46 PolarHBondContact O-N 3.43Å |
| 43 | A | 97 | Very high | 80.3 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | D41 R47 | D41-A43 VanDerWaalsContact C-N 3.29Å; D41-A43 PolarHBondContact O-N 2.86Å; D41-A43 PolarHBondContact OD1-N 3.01Å; A43-R47 WeakPolarHBondContact O-CB 3.48Å; A43-R47 PolarHBondContact O-N 3.31Å |
| 44 | K | 97.6 | Very high | 83.2 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 27% | 0.265 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 172.7 | -178.6 | 175.8 | 170.4 | -151.2 | 0 | 112 | D41 L42 R47 Q48 S270 E271 | D41-K44 HydrophobicContact CB-CB 3.79Å; D41-K44 PolarHBondContact O-N 2.85Å; D41-K44 WeakPolarHBondContact OD1-CB 3.16Å; D41-K44 PolarHBondContact OD1-N 2.91Å; D41-K44 VanDerWaalsContact OD2-CB 3.3Å; D41-K44 WeakPolarHBondContact OD2-CB 2.82Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.11Å; K44-R47 PolarHBondContact O-N 3.03Å; K44-Q48 HydrophobicContact CG-CG 4.43Å; K44-Q48 WeakPolarHBondContact O-CB 3.41Å; K44-Q48 WeakPolarHBondContact O-CG 3.44Å; K44-Q48 PolarHBondContact O-N 2.98Å; K44-S270 VanDerWaalsContact CE-OG 3.31Å; K44-S270 WeakPolarHBondContact CE-OG 3.41Å; K44-S270 PolarHBondContact NZ-OG 2.71Å; K44-E271 HydrophobicContact CB-CG 3.94Å; K44-E271 HydrophobicContact CD-CG 3.83Å; K44-E271 WeakPolarHBondContact CD-OE1 3.1Å; K44-E271 WeakPolarHBondContact CE-OE1 3.4Å; K44-E271 HydrophobicContact CG-CG 3.69Å; K44-E271 IonicContact NZ-OE1 2.74Å; K44-E271 PolarHBondContact NZ-OE1 2.86Å |
| 45 | A | 97.7 | Very high | 86.3 | Confident | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I18 F22 D41 L42 R47 Q48 F49 E271 | I18-A45 HydrophobicContact CG2-CB 4.39Å; F22-A45 HydrophobicContact CD1-CB 3.98Å; F22-A45 HydrophobicContact CE1-CB 3.47Å; F22-A45 VanDerWaalsContact CE1-CB 3.47Å; F22-A45 HydrophobicContact CZ-CB 3.89Å; D41-A45 PolarHBondContact O-N 3.42Å; L42-A45 PolarHBondContact O-N 2.9Å; A45-R47 PolarHBondContact O-N 2.86Å; A45-Q48 PolarHBondContact O-N 3.15Å; A45-F49 WeakPolarHBondContact O-CB 3.44Å; A45-F49 PolarHBondContact O-N 2.87Å; A45-E271 HydrophobicContact CB-CB 3.77Å; A45-E271 HydrophobicContact CB-CG 4.27Å |
| 46 | Q | 98.2 | Very high | 89.3 | Confident | 87 Ų | 87 | 54 Ų | 54 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.3 | -73.1 | 173.5 | -21.1 | 0 | 0 | 112.1 | I18 L42 F49 G50 | I18-Q46 HydrophobicContact CB-CG 4.06Å; I18-Q46 HydrophobicContact CG2-CG 4.28Å; L42-Q46 HydrophobicContact CD1-CG 4.17Å; L42-Q46 WeakPolarHBondContact O-CG 3.34Å; L42-Q46 PolarHBondContact O-N 3.43Å; Q46-F49 PolarHBondContact O-N 2.88Å; Q46-G50 PolarHBondContact O-N 3.39Å |
| 47 | R | 98.4 | Very high | 92 | Very high | 156 Ų | 156 | 57.6 Ų | 57.6 | 59% | 0.589 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 174.7 | 179.3 | 177.4 | 55.3 | -141.4 | -9.3 | 112.1 | A43 K44 A45 G50 V51 | A43-R47 WeakPolarHBondContact O-CB 3.48Å; A43-R47 PolarHBondContact O-N 3.31Å; K44-R47 PolarHBondContact O-N 3.03Å; A45-R47 PolarHBondContact O-N 2.86Å; R47-G50 PolarHBondContact O-N 3.15Å; R47-V51 WeakPolarHBondContact O-CG2 3.47Å; R47-V51 PolarHBondContact O-N 3.47Å |
| 48 | Q | 98.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.065 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 176.2 | -78.6 | 179.5 | -22 | 0 | 0 | 111.1 | K44 A45 G50 V51 L52 E248 A268 S270 | K44-Q48 HydrophobicContact CG-CG 4.43Å; K44-Q48 WeakPolarHBondContact O-CB 3.41Å; K44-Q48 WeakPolarHBondContact O-CG 3.44Å; K44-Q48 PolarHBondContact O-N 2.98Å; A45-Q48 PolarHBondContact O-N 3.15Å; Q48-G50 PolarHBondContact O-N 3.35Å; Q48-V51 PolarHBondContact O-N 3.16Å; Q48-L52 PolarHBondContact O-N 2.86Å; Q48-E248 PolarHBondContact NE2-OE1 3.39Å; Q48-A268 WeakPolarHBondContact CB-O 3.5Å; Q48-A268 HydrophobicContact CG-CB 3.93Å; Q48-S270 PolarHBondContact NE2-OG 3.12Å |
| 49 | F | 98.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 173 | 178.1 | -108.3 | 0 | 0 | 0 | 112.3 | V15 R16 I18 A45 Q46 V51 L52 T53 F282 | V15-F49 HydrophobicContact CB-CE2 4.06Å; V15-F49 HydrophobicContact CB-CZ 3.97Å; V15-F49 HydrophobicContact CG2-CE2 4.47Å; V15-F49 HydrophobicContact CG2-CZ 3.91Å; R16-F49 WeakPolarHBondContact O-CE2 3.4Å; R16-F49 WeakPolarHBondContact O-CZ 3.48Å; I18-F49 HydrophobicContact CD1-CB 4.29Å; I18-F49 HydrophobicContact CD1-CD2 4.49Å; I18-F49 HydrophobicContact CD1-CG 4.41Å; I18-F49 HydrophobicContact CG1-CB 3.76Å; I18-F49 HydrophobicContact CG1-CD1 4.3Å; I18-F49 HydrophobicContact CG1-CD2 4.46Å; I18-F49 HydrophobicContact CG1-CG 3.93Å; A45-F49 WeakPolarHBondContact O-CB 3.44Å; A45-F49 PolarHBondContact O-N 2.87Å; Q46-F49 PolarHBondContact O-N 2.88Å; F49-V51 VanDerWaalsContact C-N 3.31Å; F49-V51 PolarHBondContact O-N 2.89Å; F49-L52 PolarHBondContact O-N 2.87Å; F49-T53 HydrophobicContact CD1-CG2 4.3Å; F49-T53 HydrophobicContact CD2-CG2 4.22Å; F49-T53 HydrophobicContact CE1-CG2 3.85Å; F49-T53 HydrophobicContact CE2-CG2 3.76Å; F49-T53 HydrophobicContact CG-CG2 4.47Å; F49-T53 HydrophobicContact CZ-CG2 3.56Å; F49-T53 WeakPolarHBondContact O-CG2 3.43Å; F49-T53 PolarHBondContact O-N 3.1Å; F49-T53 PolarHBondContact O-OG1 3.26Å; F49-F282 AromaticContact CD2-CD1 3.81Å; F49-F282 HydrophobicContact CD2-CD1 3.81Å; F49-F282 HydrophobicContact CD2-CE1 4.39Å; F49-F282 HydrophobicContact CD2-CG 4.44Å; F49-F282 HydrophobicContact CE2-CD1 4.35Å |
| 50 | G | 98.4 | Very high | 97 | Very high | 37 Ų | 37 | 54 Ų | 54 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q46 R47 Q48 T53 G54 | Q46-G50 PolarHBondContact O-N 3.39Å; R47-G50 PolarHBondContact O-N 3.15Å; Q48-G50 PolarHBondContact O-N 3.35Å; G50-T53 WeakPolarHBondContact CA-OG1 3.31Å; G50-T53 PolarHBondContact O-OG1 3.47Å; G50-T53 VanDerWaalsContact O-OG1 3.12Å; G50-G54 PolarHBondContact O-N 3.07Å |
| 51 | V | 98.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R47 Q48 F49 G54 A55 | R47-V51 WeakPolarHBondContact O-CG2 3.47Å; R47-V51 PolarHBondContact O-N 3.47Å; Q48-V51 PolarHBondContact O-N 3.16Å; F49-V51 VanDerWaalsContact C-N 3.31Å; F49-V51 PolarHBondContact O-N 2.89Å; V51-G54 PolarHBondContact O-N 3.22Å; V51-A55 WeakPolarHBondContact O-CB 3.28Å; V51-A55 PolarHBondContact O-N 2.75Å |
| 52 | L | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 177.5 | -178.1 | 151.2 | 0 | 0 | 0 | 111.5 | Q48 F49 G54 A55 L56 L242 T267 L279 F282 | Q48-L52 PolarHBondContact O-N 2.86Å; F49-L52 PolarHBondContact O-N 2.87Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.82Å; L52-A55 WeakPolarHBondContact O-CB 3.46Å; L52-A55 PolarHBondContact O-N 2.97Å; L52-L56 HydrophobicContact CD2-CD1 3.64Å; L52-L56 HydrophobicContact CD2-CG 4.33Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.17Å; L52-L242 HydrophobicContact CG-CD2 4.41Å; L52-T267 HydrophobicContact CB-CG2 3.74Å; L52-T267 HydrophobicContact CD1-CG2 4.23Å; L52-T267 HydrophobicContact CG-CG2 4.17Å; L52-L279 HydrophobicContact CD1-CD2 4.13Å; L52-F282 HydrophobicContact CD1-CB 3.88Å; L52-F282 HydrophobicContact CD1-CD2 3.71Å; L52-F282 HydrophobicContact CD1-CG 4.04Å; L52-F282 HydrophobicContact CD2-CB 4.04Å |
| 53 | T | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | V15 F49 G50 R57 L64 | V15-T53 HydrophobicContact CB-CG2 4.39Å; V15-T53 HydrophobicContact CG1-CG2 4.32Å; V15-T53 HydrophobicContact CG2-CG2 3.98Å; F49-T53 HydrophobicContact CD1-CG2 4.3Å; F49-T53 HydrophobicContact CD2-CG2 4.22Å; F49-T53 HydrophobicContact CE1-CG2 3.85Å; F49-T53 HydrophobicContact CE2-CG2 3.76Å; F49-T53 HydrophobicContact CG-CG2 4.47Å; F49-T53 HydrophobicContact CZ-CG2 3.56Å; F49-T53 WeakPolarHBondContact O-CG2 3.43Å; F49-T53 PolarHBondContact O-N 3.1Å; F49-T53 PolarHBondContact O-OG1 3.26Å; G50-T53 WeakPolarHBondContact CA-OG1 3.31Å; G50-T53 PolarHBondContact O-OG1 3.47Å; G50-T53 VanDerWaalsContact O-OG1 3.12Å; T53-R57 WeakPolarHBondContact O-CB 3.32Å; T53-R57 PolarHBondContact O-N 3.35Å; T53-L64 HydrophobicContact CG2-CD2 4.11Å |
| 54 | G | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G50 V51 L52 Q58 | G50-G54 PolarHBondContact O-N 3.07Å; V51-G54 PolarHBondContact O-N 3.22Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.82Å; G54-Q58 VanDerWaalsContact O-CB 3.25Å; G54-Q58 WeakPolarHBondContact O-CB 3.45Å; G54-Q58 PolarHBondContact O-N 3.08Å |
| 55 | A | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -62.6 | -50.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V51 L52 R57 K59 V60 L242 L265 | V51-A55 WeakPolarHBondContact O-CB 3.28Å; V51-A55 PolarHBondContact O-N 2.75Å; L52-A55 WeakPolarHBondContact O-CB 3.46Å; L52-A55 PolarHBondContact O-N 2.97Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 2.89Å; A55-K59 WeakPolarHBondContact O-CA 3.38Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 3.45Å; A55-V60 PolarHBondContact O-N 3.27Å; A55-L242 HydrophobicContact CB-CD2 4.16Å; A55-L265 HydrophobicContact CB-CD1 4.45Å |
| 56 | L | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -59 | -43.2 | 178.6 | -66.4 | 177.1 | 0 | 0 | 0 | 112.2 | A13 V15 L52 V60 G61 L62 L242 C283 | A13-L56 HydrophobicContact CB-CD1 4.03Å; V15-L56 HydrophobicContact CG1-CD1 4.42Å; L52-L56 HydrophobicContact CD2-CD1 3.64Å; L52-L56 HydrophobicContact CD2-CG 4.33Å; L52-L56 WeakPolarHBondContact O-CG 3.34Å; L52-L56 PolarHBondContact O-N 3.17Å; L56-V60 WeakPolarHBondContact O-CB 3.26Å; L56-G61 PolarHBondContact O-N 3.43Å; L56-G61 VanDerWaalsContact O-N 3.14Å; L56-L62 HydrophobicContact CD2-CD1 4.18Å; L56-L62 PolarHBondContact O-N 2.83Å; L56-L242 HydrophobicContact CD2-CD1 4.36Å; L56-L242 HydrophobicContact CD2-CD2 3.99Å; L56-L242 HydrophobicContact CG-CD2 4.32Å; L56-C283 HydrophobicContact CD1-CB 4.1Å |
| 57 | R | 97.4 | Very high | 97.7 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 50% | 0.502 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -78.9 | -50.1 | -177.4 | -176.2 | 176.1 | 61.2 | -177.8 | -3.3 | 113.2 | T53 A55 G61 L64 | T53-R57 WeakPolarHBondContact O-CB 3.32Å; T53-R57 PolarHBondContact O-N 3.35Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 2.89Å; R57-G61 VanDerWaalsContact O-CA 3.28Å; R57-G61 WeakPolarHBondContact O-CA 3.45Å; R57-G61 PolarHBondContact O-N 2.93Å; R57-L64 HydrophobicContact CB-CB 4.46Å |
| 58 | Q | 96.4 | Very high | 97.7 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | I | π-helix | trans | -94.6 | -32 | -167 | -59.3 | 174.9 | -8.4 | 0 | 0 | 113.4 | G54 | G54-Q58 VanDerWaalsContact O-CB 3.25Å; G54-Q58 WeakPolarHBondContact O-CB 3.45Å; G54-Q58 PolarHBondContact O-N 3.08Å |
| 59 | K | 95.3 | Very high | 97.6 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | I | π-helix | trans | -94.2 | -46.5 | -177.9 | -56.9 | -61.8 | -174.7 | 178.1 | 0 | 111.4 | A55 Y240 L265 | A55-K59 WeakPolarHBondContact O-CA 3.38Å; A55-K59 WeakPolarHBondContact O-CB 3.43Å; A55-K59 PolarHBondContact O-N 3.45Å; K59-Y240 WeakPolarHBondContact O-CE1 3.25Å; K59-Y240 PolarHBondContact O-OH 3.28Å; K59-L265 HydrophobicContact CB-CD1 3.93Å; K59-L265 HydrophobicContact CB-CD2 4.06Å; K59-L265 HydrophobicContact CG-CD2 4.24Å |
| 60 | V | 95.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -83.2 | -34.9 | 179.1 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | A55 L56 L62 V232 Y240 L242 L265 | A55-V60 PolarHBondContact O-N 3.27Å; L56-V60 WeakPolarHBondContact O-CB 3.26Å; V60-L62 HydrophobicContact CB-CG 4.4Å; V60-L62 HydrophobicContact CG1-CD1 4.32Å; V60-L62 HydrophobicContact CG1-CD2 4.2Å; V60-L62 HydrophobicContact CG1-CG 3.88Å; V60-V232 HydrophobicContact CG1-CB 3.81Å; V60-V232 HydrophobicContact CG1-CG1 3.48Å; V60-V232 VanDerWaalsContact CG1-CG1 3.48Å; V60-V232 HydrophobicContact CG1-CG2 4.14Å; V60-Y240 HydrophobicContact CG1-CD2 4.18Å; V60-Y240 HydrophobicContact CG1-CG 4.46Å; V60-Y240 HydrophobicContact CG2-CD1 4.21Å; V60-Y240 HydrophobicContact CG2-CG 3.99Å; V60-L242 HydrophobicContact CG2-CD1 4.2Å; V60-L265 HydrophobicContact CG2-CD1 3.74Å |
| 61 | G | 95.7 | Very high | 97.2 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 61% | 0.608 | 31% | 0.309 | S | S | * | . | trans | 90.5 | 22.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L56 R57 | L56-G61 PolarHBondContact O-N 3.43Å; L56-G61 VanDerWaalsContact O-N 3.14Å; R57-G61 VanDerWaalsContact O-CA 3.28Å; R57-G61 WeakPolarHBondContact O-CA 3.45Å; R57-G61 PolarHBondContact O-N 2.93Å | ||
| 62 | L | 96.3 | Very high | 97 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 32% | 0.324 | C | S | . | . | trans | -76.8 | 146.6 | 177.6 | -57.7 | -177.5 | 0 | 0 | 0 | 111.6 | F10 A13 L56 V60 L64 L285 | F10-L62 HydrophobicContact CB-CD1 4.5Å; F10-L62 HydrophobicContact CB-CD2 4Å; F10-L62 WeakPolarHBondContact O-CD2 3.34Å; A13-L62 HydrophobicContact CB-CB 4.42Å; A13-L62 HydrophobicContact CB-CD1 3.95Å; L56-L62 HydrophobicContact CD2-CD1 4.18Å; L56-L62 PolarHBondContact O-N 2.83Å; V60-L62 HydrophobicContact CB-CG 4.4Å; V60-L62 HydrophobicContact CG1-CD1 4.32Å; V60-L62 HydrophobicContact CG1-CD2 4.2Å; V60-L62 HydrophobicContact CG1-CG 3.88Å; L62-L64 PolarHBondContact O-N 2.95Å; L62-L285 HydrophobicContact CD1-CD2 3.84Å | ||
| 63 | Q | 97.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 61.2 Ų | 61.2 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 111.7 | 167 | -178.3 | 172 | -19.5 | 0 | 0 | 109.3 | T11 H12 A13 | T11-Q63 PolarHBondContact O-N 3.04Å; H12-Q63 CarbonylContact C-O 3.6Å; H12-Q63 WeakPolarHBondContact CA-O 3.41Å; H12-Q63 PolarHBondContact NE2-OE1 3.44Å; A13-Q63 PolarHBondContact N-O 3.08Å |
| 64 | L | 98 | Very high | 96.6 | Very high | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.1 | -177.6 | -164.3 | 73.2 | 0 | 0 | 0 | 110.8 | A13 V15 T53 R57 L62 | A13-L64 HydrophobicContact CB-CD1 3.95Å; A13-L64 WeakPolarHBondContact O-CA 3.46Å; V15-L64 HydrophobicContact CB-CD1 4.44Å; V15-L64 HydrophobicContact CG1-CD1 3.71Å; V15-L64 HydrophobicContact CG2-CD1 3.82Å; V15-L64 HydrophobicContact CG2-CD2 4.22Å; V15-L64 HydrophobicContact CG2-CG 4.01Å; T53-L64 HydrophobicContact CG2-CD2 4.11Å; R57-L64 HydrophobicContact CB-CB 4.46Å; L62-L64 PolarHBondContact O-N 2.95Å |
| 65 | I | 98.5 | Very high | 96.5 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.3 | 171.4 | -59.7 | 165.3 | 0 | 0 | 0 | 107.1 | A13 V14 V15 V110 L114 | A13-I65 PolarHBondContact O-N 3.29Å; V14-I65 WeakPolarHBondContact CA-O 3.24Å; V14-I65 HydrophobicContact CG2-CB 4.3Å; V14-I65 HydrophobicContact CG2-CD1 4.38Å; V15-I65 PolarHBondContact N-O 2.59Å; I65-V110 HydrophobicContact CG2-CG1 3.94Å; I65-L114 HydrophobicContact CD1-CD1 3.75Å; I65-L114 HydrophobicContact CD1-CD2 3.6Å; I65-L114 HydrophobicContact CD1-CG 4.08Å |
| 66 | E | 98.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116.2 | -177.3 | -174.9 | 170.3 | 169.7 | 0 | 0 | 110.2 | V15 | V15-E66 HydrophobicContact CG2-CB 4.02Å; V15-E66 HydrophobicContact CG2-CG 4.09Å |
| 67 | I | 98.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 127.3 | 168 | -58.5 | 178 | 0 | 0 | 0 | 107.3 | V14 V15 R16 G17 I79 A106 V107 V110 | V14-I67 HydrophobicContact CG1-CD1 3.89Å; V14-I67 HydrophobicContact CG1-CG1 4.08Å; V15-I67 PolarHBondContact O-N 3.25Å; R16-I67 WeakPolarHBondContact CA-O 3.48Å; R16-I67 HydrophobicContact CB-CB 4.2Å; R16-I67 HydrophobicContact CG-CB 4.02Å; R16-I67 HydrophobicContact CG-CG2 4.07Å; G17-I67 PolarHBondContact N-O 3.16Å; I67-I79 HydrophobicContact CD1-CD1 3.94Å; I67-A106 HydrophobicContact CD1-CB 4.5Å; I67-A106 HydrophobicContact CG2-CB 3.91Å; I67-V107 HydrophobicContact CD1-CG2 3.83Å; I67-V110 HydrophobicContact CD1-CG2 3.85Å; I67-V110 HydrophobicContact CG1-CG2 3.84Å |
| 68 | P | 97.8 | Very high | 96.2 | Very high | 102 Ų | 102 | 56 Ų | 56 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 147 | 176 | -25.6 | 34.6 | 0 | 0 | 0 | 112.2 | ||
| 69 | A | 97.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 145.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | G17 P19 | G17-A69 WeakPolarHBondContact O-CB 3.28Å; P19-A69 HydrophobicContact CB-CB 4.2Å |
| 70 | D | 95.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 44 Ų | 44 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | trans | -117 | 114 | 176.7 | -170.5 | -24.1 | 0 | 0 | 0 | 109 | R16 P19 E72 L73 | R16-D70 IonicContact NH2-OD2 3.94Å; P19-D70 WeakPolarHBondContact CB-O 3.31Å; D70-E72 PolarHBondContact O-N 3.38Å; D70-E72 PolarHBondContact OD1-N 2.93Å; D70-L73 HydrophobicContact CB-CB 4.16Å; D70-L73 HydrophobicContact CB-CD1 4.09Å; D70-L73 HydrophobicContact CB-CG 4.2Å; D70-L73 PolarHBondContact O-N 3.27Å | ||
| 71 | P | 93.4 | Very high | 96.5 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.2 | -179.5 | -22.9 | 32.2 | 0 | 0 | 0 | 113.6 | T21 L73 | T21-P71 WeakPolarHBondContact CB-O 3.35Å; T21-P71 WeakPolarHBondContact CG2-O 3.36Å; T21-P71 PolarHBondContact OG1-O 3.44Å; P71-L73 PolarHBondContact O-N 2.82Å |
| 72 | E | 93.9 | Very high | 96.7 | Very high | 161 Ų | 161 | 40.5 Ų | 40.5 | 75% | 0.752 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.1 | -179.2 | -57.6 | -59.7 | 124.2 | 0 | 0 | 112.3 | D70 P74 | D70-E72 PolarHBondContact O-N 3.38Å; D70-E72 PolarHBondContact OD1-N 2.93Å; E72-P74 WeakPolarHBondContact O-CD 3.41Å |
| 73 | L | 94.9 | Very high | 96.8 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | trans | -123.1 | 78.5 | -175.4 | -54.9 | 176.5 | 0 | 0 | 0 | 110.9 | D70 P71 E75 S76 S102 E103 | D70-L73 HydrophobicContact CB-CB 4.16Å; D70-L73 HydrophobicContact CB-CD1 4.09Å; D70-L73 HydrophobicContact CB-CG 4.2Å; D70-L73 PolarHBondContact O-N 3.27Å; P71-L73 PolarHBondContact O-N 2.82Å; L73-E75 PolarHBondContact O-N 2.94Å; L73-E75 VanDerWaalsContact O-N 3.13Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.27Å; L73-S76 PolarHBondContact O-N 3.39Å; L73-S76 PolarHBondContact O-OG 2.96Å; L73-S102 WeakPolarHBondContact CD2-OG 3.28Å; L73-E103 HydrophobicContact CB-CG 4.42Å; L73-E103 HydrophobicContact CD1-CG 4.23Å | ||
| 74 | P | 94.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.8 | -173 | 23.9 | -35 | 0 | 0 | 0 | 114.5 | T21 K24 E72 W77 | T21-P74 VanDerWaalsContact O-CB 3.32Å; T21-P74 WeakPolarHBondContact O-CB 3.15Å; K24-P74 VanDerWaalsContact O-CB 3.25Å; K24-P74 WeakPolarHBondContact O-CB 3.2Å; K24-P74 WeakPolarHBondContact O-CG 3.11Å; E72-P74 WeakPolarHBondContact O-CD 3.41Å; P74-W77 PolarHBondContact O-NE1 3.22Å |
| 75 | E | 94.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.4 | 179.5 | -65.4 | -174.3 | 91.7 | 0 | 0 | 113.4 | L73 W77 R78 K97 R100 | L73-E75 PolarHBondContact O-N 2.94Å; L73-E75 VanDerWaalsContact O-N 3.13Å; E75-W77 PolarHBondContact O-N 3.35Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.02Å; E75-K97 IonicContact OE1-NZ 2.71Å; E75-K97 PolarHBondContact OE1-NZ 3.03Å; E75-K97 WeakPolarHBondContact OE2-CD 3.36Å; E75-K97 IonicContact OE2-NZ 2.91Å; E75-K97 PolarHBondContact OE2-NZ 2.88Å; E75-R100 HydrophobicContact CB-CG 4.27Å |
| 76 | S | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.9 | -173.2 | 61.2 | 0 | 0 | 0 | 0 | 115.8 | R16 L73 R78 E103 | R16-S76 WeakPolarHBondContact CD-O 3.34Å; R16-S76 VanDerWaalsContact CZ-CB 3.48Å; L73-S76 VanDerWaalsContact O-CB 3.25Å; L73-S76 WeakPolarHBondContact O-CB 3.27Å; L73-S76 PolarHBondContact O-N 3.39Å; L73-S76 PolarHBondContact O-OG 2.96Å; S76-R78 PolarHBondContact O-N 3.43Å; S76-E103 PolarHBondContact N-OE1 3.38Å |
| 77 | W | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.8 | 173.2 | 60.9 | -89 | 0 | 0 | 0 | 113.2 | I18 F22 P74 E75 I79 A272 L275 F282 | I18-W77 HydrophobicContact CD1-CB 3.64Å; I18-W77 HydrophobicContact CD1-CG 4.05Å; F22-W77 AromaticContact CD2-CD1 3.54Å; F22-W77 HydrophobicContact CD2-CD2 4.27Å; F22-W77 AromaticContact CD2-CE2 3.85Å; F22-W77 HydrophobicContact CD2-CG 4.09Å; F22-W77 AromaticContact CD2-NE1 3.37Å; F22-W77 AromaticContact CE2-CD1 3.93Å; F22-W77 AromaticContact CE2-CD2 3.86Å; F22-W77 HydrophobicContact CE2-CD2 3.86Å; F22-W77 AromaticContact CE2-CE2 3.43Å; F22-W77 VanDerWaalsContact CE2-CE2 3.43Å; F22-W77 HydrophobicContact CE2-CG 4.15Å; F22-W77 HydrophobicContact CE2-CH2 4.44Å; F22-W77 AromaticContact CE2-CZ2 3.76Å; F22-W77 HydrophobicContact CE2-CZ2 3.76Å; F22-W77 AromaticContact CE2-NE1 3.49Å; P74-W77 PolarHBondContact O-NE1 3.22Å; E75-W77 PolarHBondContact O-N 3.35Å; W77-I79 PolarHBondContact O-N 3.48Å; W77-A272 HydrophobicContact CE3-CB 4.39Å; W77-A272 HydrophobicContact CH2-CB 3.55Å; W77-A272 HydrophobicContact CZ2-CB 4.48Å; W77-A272 HydrophobicContact CZ3-CB 3.51Å; W77-L275 HydrophobicContact CZ2-CB 4.13Å; W77-L275 HydrophobicContact CZ2-CD1 3.78Å; W77-F282 HydrophobicContact CE3-CD1 4Å; W77-F282 AromaticContact CE3-CE1 3.57Å; W77-F282 HydrophobicContact CE3-CE1 3.57Å; W77-F282 HydrophobicContact CE3-CZ 4.12Å; W77-F282 AromaticContact CZ3-CE1 3.99Å; W77-F282 HydrophobicContact CZ3-CE1 3.99Å; W77-F282 HydrophobicContact CZ3-CZ 4.05Å |
| 78 | R | 96.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | trans | -80.5 | 56.6 | 174.7 | -64 | 177.2 | 179.6 | -93.5 | -7.4 | 111.7 | E75 S76 E80 D81 R100 L275 G276 S281 | E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.02Å; S76-R78 PolarHBondContact O-N 3.43Å; R78-E80 PolarHBondContact O-N 3.49Å; R78-D81 PolarHBondContact O-N 3.26Å; R78-D81 VanDerWaalsContact O-N 3.08Å; R78-R100 VanDerWaalsContact CB-NH2 3.34Å; R78-R100 PolarHBondContact O-NH2 3.1Å; R78-L275 VanDerWaalsContact NH2-CB 3.29Å; R78-L275 PolarHBondContact NH2-O 2.72Å; R78-G276 PolarHBondContact NH1-O 2.88Å; R78-S281 CarbonylContact C-O 3.39Å; R78-S281 WeakPolarHBondContact CA-O 3.21Å | ||
| 79 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -62.1 | -27 | -173.8 | -160.7 | -177.2 | 0 | 0 | 0 | 112.6 | V14 R16 I67 W77 D81 V82 V107 S281 F282 L284 | V14-I79 HydrophobicContact CB-CD1 4.31Å; V14-I79 HydrophobicContact CG1-CD1 3.7Å; R16-I79 HydrophobicContact CB-CB 4.31Å; R16-I79 HydrophobicContact CB-CD1 4.24Å; I67-I79 HydrophobicContact CD1-CD1 3.94Å; W77-I79 PolarHBondContact O-N 3.48Å; I79-D81 PolarHBondContact O-N 2.95Å; I79-V82 HydrophobicContact CG1-CG2 4.21Å; I79-V82 WeakPolarHBondContact O-CG2 3.43Å; I79-V82 PolarHBondContact O-N 3.12Å; I79-V107 HydrophobicContact CD1-CG2 3.98Å; I79-V107 HydrophobicContact CG1-CG2 3.72Å; I79-S281 PolarHBondContact N-O 3.08Å; I79-S281 VanDerWaalsContact N-O 3.08Å; I79-F282 VanDerWaalsContact CG2-C 3.42Å; I79-F282 WeakPolarHBondContact CG2-O 3.3Å; I79-L284 HydrophobicContact CD1-CD1 3.89Å; I79-L284 HydrophobicContact CD1-CG 4.33Å; I79-L284 HydrophobicContact CG1-CD1 3.76Å; I79-L284 HydrophobicContact CG1-CG 4.13Å; I79-L284 HydrophobicContact CG2-CG 4.3Å |
| 80 | E | 98.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -56.1 | -34.8 | 174.7 | 179.4 | 174.1 | -137.9 | 0 | 0 | 112.7 | R78 V82 G135 K182 T280 S281 | R78-E80 PolarHBondContact O-N 3.49Å; E80-V82 PolarHBondContact O-N 3.36Å; E80-G135 WeakPolarHBondContact O-CA 3.44Å; E80-K182 VanDerWaalsContact OE1-CD 3.23Å; E80-K182 WeakPolarHBondContact OE1-CD 3.36Å; E80-K182 WeakPolarHBondContact OE1-CE 3.31Å; E80-K182 IonicContact OE1-NZ 3.89Å; E80-K182 PolarHBondContact OE1-NZ 2.95Å; E80-T280 WeakPolarHBondContact CB-O 3.43Å; E80-T280 VanDerWaalsContact CD-OG1 3.27Å; E80-T280 WeakPolarHBondContact OE1-CB 3.39Å; E80-T280 PolarHBondContact OE1-OG1 3.29Å; E80-T280 VanDerWaalsContact OE2-C 3.31Å; E80-T280 WeakPolarHBondContact OE2-CB 3.38Å; E80-T280 PolarHBondContact OE2-OG1 2.91Å; E80-S281 PolarHBondContact N-O 3.01Å; E80-S281 PolarHBondContact OE2-N 3.36Å |
| 81 | D | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -70.7 | -24.7 | -173.2 | -71.8 | -26.4 | 0 | 0 | 0 | 112.5 | R78 I79 T93 R100 E134 G135 S136 R180 | R78-D81 PolarHBondContact O-N 3.26Å; R78-D81 VanDerWaalsContact O-N 3.08Å; I79-D81 PolarHBondContact O-N 2.95Å; D81-T93 PolarHBondContact O-OG1 3.44Å; D81-R100 IonicContact OD2-CZ 3.01Å; D81-R100 IonicContact OD2-NH1 3.52Å; D81-R100 PolarHBondContact OD2-NH1 2.87Å; D81-R100 IonicContact OD2-NH2 3.08Å; D81-R100 PolarHBondContact OD2-NH2 2.97Å; D81-E134 HydrophobicContact CB-CB 3.96Å; D81-E134 HydrophobicContact CB-CG 4.13Å; D81-E134 WeakPolarHBondContact O-CA 3.44Å; D81-G135 PolarHBondContact O-N 3.2Å; D81-G135 VanDerWaalsContact O-N 3.11Å; D81-S136 WeakPolarHBondContact OD1-CB 3.5Å; D81-S136 PolarHBondContact OD1-N 3.46Å; D81-S136 PolarHBondContact OD1-OG 2.86Å; D81-R180 IonicContact OD2-CZ 2.89Å; D81-R180 IonicContact OD2-NH2 3.88Å |
| 82 | V | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -93.4 | -10.9 | -167.7 | -52.3 | 0 | 0 | 0 | 0 | 113.8 | I79 E80 T93 P95 E103 T104 V107 | I79-V82 HydrophobicContact CG1-CG2 4.21Å; I79-V82 WeakPolarHBondContact O-CG2 3.43Å; I79-V82 PolarHBondContact O-N 3.12Å; E80-V82 PolarHBondContact O-N 3.36Å; V82-T93 VanDerWaalsContact C-OG1 3.3Å; V82-T93 VanDerWaalsContact CA-OG1 3.23Å; V82-T93 WeakPolarHBondContact CA-OG1 3.46Å; V82-T93 PolarHBondContact O-N 2.76Å; V82-T93 PolarHBondContact O-OG1 2.84Å; V82-P95 HydrophobicContact CG1-CG 4.25Å; V82-E103 HydrophobicContact CG1-CB 3.93Å; V82-T104 HydrophobicContact CB-CG2 4.26Å; V82-V107 HydrophobicContact CG2-CB 3.84Å; V82-V107 HydrophobicContact CG2-CG1 3.92Å; V82-V107 HydrophobicContact CG2-CG2 3.44Å; V82-V107 VanDerWaalsContact CG2-CG2 3.44Å |
| 83 | A | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.025 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 142.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L91 I92 V107 L284 | A83-L91 CarbonylContact C-O 3.55Å; A83-L91 VanDerWaalsContact CA-O 3.23Å; A83-L91 WeakPolarHBondContact CA-O 3.36Å; A83-I92 HydrophobicContact CB-CD1 4.16Å; A83-V107 HydrophobicContact CB-CG1 3.96Å; A83-L284 HydrophobicContact CB-CD1 3.78Å; A83-L284 HydrophobicContact CB-CD2 4.06Å; A83-L284 VanDerWaalsContact O-CD2 3.27Å; A83-L284 WeakPolarHBondContact O-CD2 3.13Å |
| 84 | V | 98.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 8% | 0.079 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.1 | 165.8 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | L91 T93 L133 V138 F145 L161 F165 | V84-L91 HydrophobicContact CB-CB 4.4Å; V84-L91 PolarHBondContact N-O 3.4Å; V84-L91 PolarHBondContact O-N 3.15Å; V84-T93 HydrophobicContact CG2-CG2 4.13Å; V84-L133 HydrophobicContact CG2-CD2 4.07Å; V84-V138 HydrophobicContact CG1-CG1 4.05Å; V84-V138 HydrophobicContact CG2-CB 4.16Å; V84-V138 HydrophobicContact CG2-CG1 4.2Å; V84-V138 HydrophobicContact CG2-CG2 4.04Å; V84-F145 HydrophobicContact CG1-CE1 4.12Å; V84-L161 HydrophobicContact CG1-CD1 4.35Å; V84-L161 HydrophobicContact CG2-CD1 4.3Å; V84-F165 HydrophobicContact CB-CE2 4.25Å; V84-F165 HydrophobicContact CG1-CE2 3.8Å; V84-F165 HydrophobicContact CG1-CZ 4.17Å |
| 85 | I | 98 | Very high | 96.9 | Very high | 30 Ų | 30 | 16.9 Ų | 16.9 | 15% | 0.154 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.5 | -174 | -54 | 173.1 | 0 | 0 | 0 | 109.4 | A90 M111 L116 L284 I286 | I85-A90 HydrophobicContact CG1-CB 4.09Å; I85-M111 HydrophobicContact CD1-CE 3.84Å; I85-M111 HydrophobicContact CD1-SD 3.49Å; I85-M111 WeakPolarHBondContact CD1-SD 3.41Å; I85-M111 HydrophobicContact CG1-SD 4.37Å; I85-L116 HydrophobicContact CG2-CD1 4.14Å; I85-L284 HydrophobicContact CD1-CB 3.92Å; I85-L284 HydrophobicContact CD1-CD1 4.36Å; I85-I286 HydrophobicContact CD1-CD1 3.94Å; I85-I286 HydrophobicContact CD1-CG1 3.68Å; I85-I286 HydrophobicContact CG2-CG1 4.39Å |
| 86 | Q | 95.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 20.9 Ų | 20.9 | 24% | 0.243 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.7 | 170.2 | -161 | -62.1 | -28.9 | 0 | 0 | 108.2 | D88 T89 F140 F145 F165 F168 | Q86-D88 PolarHBondContact O-N 3.15Å; Q86-T89 PolarHBondContact N-O 2.62Å; Q86-T89 PolarHBondContact O-N 3.44Å; Q86-T89 VanDerWaalsContact O-O 3.06Å; Q86-F140 HydrophobicContact CG-CE1 4.12Å; Q86-F140 HydrophobicContact CG-CE2 4.39Å; Q86-F140 HydrophobicContact CG-CZ 3.96Å; Q86-F145 HydrophobicContact CB-CZ 4.15Å; Q86-F145 HydrophobicContact CG-CZ 4.13Å; Q86-F165 HydrophobicContact CB-CD1 3.71Å; Q86-F165 HydrophobicContact CB-CE1 3.57Å; Q86-F165 HydrophobicContact CB-CZ 4.29Å; Q86-F168 HydrophobicContact CG-CD2 4.35Å; Q86-F168 HydrophobicContact CG-CE2 3.67Å; Q86-F168 HydrophobicContact CG-CZ 4.04Å; Q86-F168 VanDerWaalsContact NE2-CZ 3.26Å |
| 87 | G | 91.3 | Very high | 96.6 | Very high | 33 Ų | 33 | 23.8 Ų | 23.8 | 34% | 0.34 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | -122 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 88 | D | 93.8 | Very high | 96.4 | Very high | 102 Ų | 102 | 30.3 Ų | 30.3 | 55% | 0.545 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 7.4 | 175.6 | 61.2 | 1.6 | 0 | 0 | 0 | 113 | Q86 L116 T117 | Q86-D88 PolarHBondContact O-N 3.15Å; D88-L116 CarbonylContact O-C 3.47Å; D88-L116 VanDerWaalsContact O-CA 3.29Å; D88-L116 WeakPolarHBondContact O-CA 3.35Å; D88-L116 WeakPolarHBondContact O-CB 3.33Å; D88-T117 PolarHBondContact O-N 3.32Å |
| 89 | T | 96.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 34 Ų | 34 | 15% | 0.147 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.2 | -175.9 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | Q86 T117 V119 T164 F165 | Q86-T89 PolarHBondContact N-O 2.62Å; Q86-T89 PolarHBondContact O-N 3.44Å; Q86-T89 VanDerWaalsContact O-O 3.06Å; T89-T117 CarbonylContact C-O 3.59Å; T89-T117 WeakPolarHBondContact CA-O 3.43Å; T89-V119 HydrophobicContact CG2-CG2 4.17Å; T89-T164 HydrophobicContact CG2-CG2 3.83Å; T89-F165 HydrophobicContact CG2-CE1 3.89Å |
| 90 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I85 M111 L116 T117 V119 | I85-A90 HydrophobicContact CG1-CB 4.09Å; A90-M111 HydrophobicContact CB-CB 4.05Å; A90-M111 HydrophobicContact CB-CG 3.86Å; A90-M111 HydrophobicContact CB-SD 4.29Å; A90-L116 HydrophobicContact CB-CB 4.33Å; A90-L116 HydrophobicContact CB-CD1 4.06Å; A90-T117 PolarHBondContact N-O 3.1Å; A90-V119 PolarHBondContact O-N 2.93Å |
| 91 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.9 | 167.9 | 176.7 | 59.2 | 0 | 0 | 0 | 108.7 | A83 V84 T93 V119 M121 V160 L161 T164 F165 | A83-L91 CarbonylContact C-O 3.55Å; A83-L91 VanDerWaalsContact CA-O 3.23Å; A83-L91 WeakPolarHBondContact CA-O 3.36Å; V84-L91 HydrophobicContact CB-CB 4.4Å; V84-L91 PolarHBondContact N-O 3.4Å; V84-L91 PolarHBondContact O-N 3.15Å; L91-T93 PolarHBondContact O-N 3.33Å; L91-V119 CarbonylContact C-O 3.58Å; L91-V119 WeakPolarHBondContact CA-O 3.18Å; L91-V119 HydrophobicContact CD1-CB 4.35Å; L91-V119 HydrophobicContact CD1-CG1 4.08Å; L91-M121 HydrophobicContact CD2-CE 4.31Å; L91-V160 HydrophobicContact CD1-CG1 4.14Å; L91-L161 HydrophobicContact CD2-CB 4Å; L91-L161 HydrophobicContact CD2-CD1 4.46Å; L91-L161 HydrophobicContact CD2-CG 4.17Å; L91-T164 HydrophobicContact CB-CG2 4.1Å; L91-T164 HydrophobicContact CD1-CG2 4.46Å; L91-F165 HydrophobicContact CB-CE2 3.87Å; L91-F165 HydrophobicContact CB-CZ 3.91Å; L91-F165 HydrophobicContact CD2-CE2 4.24Å |
| 92 | I | 98.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.6 | 167.4 | -55.4 | -58.2 | 0 | 0 | 0 | 107.8 | A83 T104 V107 R108 M111 V118 V119 E120 M121 | A83-I92 HydrophobicContact CB-CD1 4.16Å; I92-T104 HydrophobicContact CG2-CG2 3.91Å; I92-V107 HydrophobicContact CD1-CG1 4.33Å; I92-R108 HydrophobicContact CD1-CB 4.27Å; I92-R108 HydrophobicContact CG1-CB 4.26Å; I92-R108 HydrophobicContact CG1-CG 4.33Å; I92-M111 HydrophobicContact CD1-CG 4.25Å; I92-V118 HydrophobicContact CG1-CG1 3.7Å; I92-V119 PolarHBondContact N-O 3.03Å; I92-E120 HydrophobicContact CB-CG 4.19Å; I92-E120 HydrophobicContact CG1-CG 4.42Å; I92-M121 WeakPolarHBondContact O-CB 3.5Å; I92-M121 PolarHBondContact O-N 2.91Å |
| 93 | T | 98.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -80.3 | 175.3 | -172.8 | 75 | 0 | 0 | 0 | 0 | 110.9 | D81 V82 V84 L91 L133 | D81-T93 PolarHBondContact O-OG1 3.44Å; V82-T93 VanDerWaalsContact C-OG1 3.3Å; V82-T93 VanDerWaalsContact CA-OG1 3.23Å; V82-T93 WeakPolarHBondContact CA-OG1 3.46Å; V82-T93 PolarHBondContact O-N 2.76Å; V82-T93 PolarHBondContact O-OG1 2.84Å; V84-T93 HydrophobicContact CG2-CG2 4.13Å; L91-T93 PolarHBondContact O-N 3.33Å; T93-L133 VanDerWaalsContact CB-O 3.27Å; T93-L133 WeakPolarHBondContact CB-O 3.34Å; T93-L133 HydrophobicContact CG2-CD2 3.39Å; T93-L133 PolarHBondContact OG1-O 3.46Å | ||
| 94 | R | 96.7 | Very high | 95.4 | Very high | 42 Ų | 42 | 41 Ų | 41 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | trans | -120.5 | 91.8 | 171.5 | -173.2 | 169 | 173.2 | -81.7 | 6.3 | 109.1 | R101 M121 A131 T132 L133 | R94-R101 VanDerWaalsContact NH2-CZ 3.28Å; R94-M121 HydrophobicContact CB-CB 4.06Å; R94-M121 HydrophobicContact CB-CG 3.85Å; R94-M121 HydrophobicContact CB-SD 3.73Å; R94-A131 WeakPolarHBondContact CD-O 3.1Å; R94-A131 PolarHBondContact NH1-O 3.27Å; R94-T132 WeakPolarHBondContact O-CA 3.44Å; R94-L133 CarbonylContact C-O 3.59Å; R94-L133 PolarHBondContact O-N 2.56Å; R94-L133 VanDerWaalsContact O-N 3.16Å | ||
| 95 | P | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -53.6 | 146 | 177.3 | -28.3 | 35.5 | 0 | 0 | 0 | 112.2 | V82 R100 R101 E134 | V82-P95 HydrophobicContact CG1-CG 4.25Å; P95-R100 HydrophobicContact CB-CB 3.84Å; P95-R100 HydrophobicContact CG-CB 4.36Å; P95-R101 PolarHBondContact O-NE 2.92Å; P95-R101 VanDerWaalsContact O-NE 3.16Å; P95-E134 HydrophobicContact CB-CG 4.3Å | ||
| 96 | F | 93.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 43.3 Ų | 43.3 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -60.1 | -52.1 | -177.6 | 171.6 | -102 | 0 | 0 | 0 | 111.5 | Q98 R101 T132 H152 | F96-Q98 PolarHBondContact O-N 3.34Å; F96-R101 PolarHBondContact O-NH2 3.05Å; F96-T132 HydrophobicContact CD2-CG2 4.4Å; F96-H152 HydrophobicContact CB-CB 4.29Å |
| 97 | K | 91.8 | Very high | 95.4 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 27% | 0.274 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -64.9 | 126.9 | 175.5 | -70.4 | -174.7 | -179.9 | 177.8 | 0 | 110 | E75 Q99 R100 | E75-K97 IonicContact OE1-NZ 2.71Å; E75-K97 PolarHBondContact OE1-NZ 3.03Å; E75-K97 WeakPolarHBondContact OE2-CD 3.36Å; E75-K97 IonicContact OE2-NZ 2.91Å; E75-K97 PolarHBondContact OE2-NZ 2.88Å; K97-Q99 VanDerWaalsContact C-N 3.33Å; K97-Q99 PolarHBondContact O-N 3.3Å; K97-R100 HydrophobicContact CB-CB 4.28Å; K97-R100 HydrophobicContact CB-CG 3.85Å; K97-R100 HydrophobicContact CD-CG 4.31Å; K97-R100 PolarHBondContact O-N 3.17Å |
| 98 | Q | 90.9 | Very high | 95.7 | Very high | 138 Ų | 138 | 42.4 Ų | 42.4 | 65% | 0.645 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -65.8 | -36.9 | -175.5 | -177.9 | 170.3 | -10 | 0 | 0 | 112.5 | F96 R100 R101 | F96-Q98 PolarHBondContact O-N 3.34Å; Q98-R100 PolarHBondContact O-N 2.84Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3.41Å |
| 99 | Q | 90.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -60.4 | -32.5 | 178.2 | -59.6 | 74.9 | 12.1 | 0 | 0 | 111.5 | E28 K97 R101 S102 | E28-Q99 PolarHBondContact OE1-NE2 3.12Å; E28-Q99 PolarHBondContact OE2-NE2 3.19Å; K97-Q99 VanDerWaalsContact C-N 3.33Å; K97-Q99 PolarHBondContact O-N 3.3Å; Q99-R101 VanDerWaalsContact C-N 3.26Å; Q99-R101 PolarHBondContact O-N 3.26Å; Q99-S102 PolarHBondContact O-OG 2.71Å |
| 100 | R | 94.4 | Very high | 96 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -75.8 | -12.6 | 178.8 | -62.5 | -163 | 61.3 | -152.1 | -3.6 | 113.4 | E75 R78 D81 P95 K97 Q98 S102 E103 E134 | E75-R100 HydrophobicContact CB-CG 4.27Å; R78-R100 VanDerWaalsContact CB-NH2 3.34Å; R78-R100 PolarHBondContact O-NH2 3.1Å; D81-R100 IonicContact OD2-CZ 3.01Å; D81-R100 IonicContact OD2-NH1 3.52Å; D81-R100 PolarHBondContact OD2-NH1 2.87Å; D81-R100 IonicContact OD2-NH2 3.08Å; D81-R100 PolarHBondContact OD2-NH2 2.97Å; P95-R100 HydrophobicContact CB-CB 3.84Å; P95-R100 HydrophobicContact CG-CB 4.36Å; K97-R100 HydrophobicContact CB-CB 4.28Å; K97-R100 HydrophobicContact CB-CG 3.85Å; K97-R100 HydrophobicContact CD-CG 4.31Å; K97-R100 PolarHBondContact O-N 3.17Å; Q98-R100 PolarHBondContact O-N 2.84Å; R100-S102 VanDerWaalsContact C-N 3.27Å; R100-S102 PolarHBondContact O-N 3.11Å; R100-E103 WeakPolarHBondContact CA-OE1 3.33Å; R100-E103 HydrophobicContact CB-CG 4.45Å; R100-E103 WeakPolarHBondContact CB-OE1 3.42Å; R100-E103 VanDerWaalsContact CG-OE1 3.23Å; R100-E103 WeakPolarHBondContact CG-OE1 3.09Å; R100-E103 IonicContact CZ-OE2 2.77Å; R100-E103 IonicContact NE-OE1 2.65Å; R100-E103 PolarHBondContact NE-OE1 3.37Å; R100-E103 VanDerWaalsContact NE-OE1 3.11Å; R100-E103 IonicContact NE-OE2 3.32Å; R100-E103 PolarHBondContact NE-OE2 2.72Å; R100-E103 VanDerWaalsContact NE-OE2 3.14Å; R100-E103 IonicContact NH2-OE2 3.38Å; R100-E103 PolarHBondContact NH2-OE2 3.34Å; R100-E103 WeakPolarHBondContact O-CB 3.4Å; R100-E103 VanDerWaalsContact O-CG 3.24Å; R100-E103 WeakPolarHBondContact O-CG 3.4Å; R100-E103 PolarHBondContact O-N 3.4Å; R100-E103 VanDerWaalsContact O-N 3.07Å; R100-E134 IonicContact NH1-OE1 2.76Å; R100-E134 PolarHBondContact NH1-OE1 2.91Å; R100-E134 VanDerWaalsContact NH1-OE1 3.16Å |
| 101 | R | 93.9 | Very high | 96 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 27% | 0.268 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -71.7 | -21.1 | -177.5 | -62.6 | -177.9 | -172 | 152.3 | 7.8 | 113.1 | R94 P95 F96 Q98 Q99 T104 | R94-R101 VanDerWaalsContact NH2-CZ 3.28Å; P95-R101 PolarHBondContact O-NE 2.92Å; P95-R101 VanDerWaalsContact O-NE 3.16Å; F96-R101 PolarHBondContact O-NH2 3.05Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3.41Å; Q99-R101 VanDerWaalsContact C-N 3.26Å; Q99-R101 PolarHBondContact O-N 3.26Å; R101-T104 PolarHBondContact O-OG1 3.48Å |
| 102 | S | 94.6 | Very high | 95.9 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -73.9 | -16.9 | 170.9 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | L73 Q99 R100 T104 E105 | L73-S102 WeakPolarHBondContact CD2-OG 3.28Å; Q99-S102 PolarHBondContact O-OG 2.71Å; R100-S102 VanDerWaalsContact C-N 3.27Å; R100-S102 PolarHBondContact O-N 3.11Å; S102-T104 PolarHBondContact O-N 3.19Å; S102-E105 PolarHBondContact O-N 3.37Å |
| 103 | E | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -28 | 175.8 | -59.3 | 170.8 | -169.6 | 0 | 0 | 112 | R16 L73 S76 V82 R100 E105 | R16-E103 PolarHBondContact NH1-O 3.18Å; L73-E103 HydrophobicContact CB-CG 4.42Å; L73-E103 HydrophobicContact CD1-CG 4.23Å; S76-E103 PolarHBondContact N-OE1 3.38Å; V82-E103 HydrophobicContact CG1-CB 3.93Å; R100-E103 WeakPolarHBondContact CA-OE1 3.33Å; R100-E103 HydrophobicContact CB-CG 4.45Å; R100-E103 WeakPolarHBondContact CB-OE1 3.42Å; R100-E103 VanDerWaalsContact CG-OE1 3.23Å; R100-E103 WeakPolarHBondContact CG-OE1 3.09Å; R100-E103 IonicContact CZ-OE2 2.77Å; R100-E103 IonicContact NE-OE1 2.65Å; R100-E103 PolarHBondContact NE-OE1 3.37Å; R100-E103 VanDerWaalsContact NE-OE1 3.11Å; R100-E103 IonicContact NE-OE2 3.32Å; R100-E103 PolarHBondContact NE-OE2 2.72Å; R100-E103 VanDerWaalsContact NE-OE2 3.14Å; R100-E103 IonicContact NH2-OE2 3.38Å; R100-E103 PolarHBondContact NH2-OE2 3.34Å; R100-E103 WeakPolarHBondContact O-CB 3.4Å; R100-E103 VanDerWaalsContact O-CG 3.24Å; R100-E103 WeakPolarHBondContact O-CG 3.4Å; R100-E103 PolarHBondContact O-N 3.4Å; R100-E103 VanDerWaalsContact O-N 3.07Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 2.87Å |
| 104 | T | 96.7 | Very high | 95.6 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -31.1 | -174.8 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | V82 I92 R101 S102 A106 V107 R108 | V82-T104 HydrophobicContact CB-CG2 4.26Å; I92-T104 HydrophobicContact CG2-CG2 3.91Å; R101-T104 PolarHBondContact O-OG1 3.48Å; S102-T104 PolarHBondContact O-N 3.19Å; T104-A106 PolarHBondContact O-N 3.45Å; T104-V107 PolarHBondContact O-N 3.02Å; T104-V107 VanDerWaalsContact O-N 3.15Å; T104-R108 VanDerWaalsContact O-CB 3.31Å; T104-R108 WeakPolarHBondContact O-CB 3.04Å; T104-R108 PolarHBondContact O-N 3.42Å |
| 105 | E | 96.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | -172.8 | 174.1 | 56.8 | -165.9 | 0 | 0 | 112.1 | S102 E103 V107 R108 R109 | S102-E105 PolarHBondContact O-N 3.37Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 2.87Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 3.17Å; E105-R108 VanDerWaalsContact CD-NH2 3.28Å; E105-R108 IonicContact OE1-CZ 3.12Å; E105-R108 IonicContact OE1-NH2 3.11Å; E105-R108 PolarHBondContact OE1-NH2 3.38Å; E105-R108 IonicContact OE2-CZ 3.29Å; E105-R108 IonicContact OE2-NE 2.64Å; E105-R108 PolarHBondContact OE2-NE 2.61Å; E105-R108 IonicContact OE2-NH2 3.94Å; E105-R108 PolarHBondContact OE2-NH2 3.08Å; E105-R109 WeakPolarHBondContact O-CG 3.22Å; E105-R109 PolarHBondContact O-N 2.95Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NE 3.58Å; E105-R109 PolarHBondContact OE1-NE 3.1Å; E105-R109 IonicContact OE1-NH2 2.78Å; E105-R109 PolarHBondContact OE1-NH2 3.22Å |
| 106 | A | 97.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I67 T104 V110 | I67-A106 HydrophobicContact CD1-CB 4.5Å; I67-A106 HydrophobicContact CG2-CB 3.91Å; T104-A106 PolarHBondContact O-N 3.45Å; A106-V110 PolarHBondContact O-N 3.25Å |
| 107 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.9 | -43 | -179.8 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | I67 I79 V82 A83 I92 T104 E105 R109 V110 M111 L284 | I67-V107 HydrophobicContact CD1-CG2 3.83Å; I79-V107 HydrophobicContact CD1-CG2 3.98Å; I79-V107 HydrophobicContact CG1-CG2 3.72Å; V82-V107 HydrophobicContact CG2-CB 3.84Å; V82-V107 HydrophobicContact CG2-CG1 3.92Å; V82-V107 HydrophobicContact CG2-CG2 3.44Å; V82-V107 VanDerWaalsContact CG2-CG2 3.44Å; A83-V107 HydrophobicContact CB-CG1 3.96Å; I92-V107 HydrophobicContact CD1-CG1 4.33Å; T104-V107 PolarHBondContact O-N 3.02Å; T104-V107 VanDerWaalsContact O-N 3.15Å; E105-V107 VanDerWaalsContact C-N 3.33Å; E105-V107 PolarHBondContact O-N 3.17Å; V107-R109 VanDerWaalsContact C-N 3.28Å; V107-R109 PolarHBondContact O-N 2.78Å; V107-V110 PolarHBondContact O-N 2.77Å; V107-V110 VanDerWaalsContact O-N 3.15Å; V107-M111 HydrophobicContact CG1-CE 3.67Å; V107-M111 HydrophobicContact CG1-CG 4.26Å; V107-M111 VanDerWaalsContact O-CG 3.32Å; V107-M111 WeakPolarHBondContact O-CG 3.18Å; V107-M111 PolarHBondContact O-N 3Å; V107-L284 HydrophobicContact CG1-CD1 3.63Å |
| 108 | R | 98 | Very high | 96 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 25% | 0.253 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -53.3 | -44.6 | 174.5 | -173.6 | -166.4 | 64.1 | 83.3 | -1.6 | 111.9 | I92 T104 E105 M111 S112 V118 E120 | I92-R108 HydrophobicContact CD1-CB 4.27Å; I92-R108 HydrophobicContact CG1-CB 4.26Å; I92-R108 HydrophobicContact CG1-CG 4.33Å; T104-R108 VanDerWaalsContact O-CB 3.31Å; T104-R108 WeakPolarHBondContact O-CB 3.04Å; T104-R108 PolarHBondContact O-N 3.42Å; E105-R108 VanDerWaalsContact CD-NH2 3.28Å; E105-R108 IonicContact OE1-CZ 3.12Å; E105-R108 IonicContact OE1-NH2 3.11Å; E105-R108 PolarHBondContact OE1-NH2 3.38Å; E105-R108 IonicContact OE2-CZ 3.29Å; E105-R108 IonicContact OE2-NE 2.64Å; E105-R108 PolarHBondContact OE2-NE 2.61Å; E105-R108 IonicContact OE2-NH2 3.94Å; E105-R108 PolarHBondContact OE2-NH2 3.08Å; R108-M111 PolarHBondContact O-N 3.33Å; R108-S112 PolarHBondContact O-N 2.91Å; R108-S112 PolarHBondContact O-OG 3.38Å; R108-V118 HydrophobicContact CG-CG1 3.93Å; R108-E120 WeakPolarHBondContact CD-OE1 3.38Å |
| 109 | R | 98.2 | Very high | 96.4 | Very high | 137 Ų | 137 | 50.4 Ų | 50.4 | 52% | 0.517 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 176.5 | -71 | 175.5 | -169.2 | -177.8 | 5 | 111.5 | E105 V107 M111 S112 E113 | E105-R109 WeakPolarHBondContact O-CG 3.22Å; E105-R109 PolarHBondContact O-N 2.95Å; E105-R109 IonicContact OE1-CZ 3.18Å; E105-R109 IonicContact OE1-NE 3.58Å; E105-R109 PolarHBondContact OE1-NE 3.1Å; E105-R109 IonicContact OE1-NH2 2.78Å; E105-R109 PolarHBondContact OE1-NH2 3.22Å; V107-R109 VanDerWaalsContact C-N 3.28Å; V107-R109 PolarHBondContact O-N 2.78Å; R109-M111 VanDerWaalsContact C-N 3.35Å; R109-M111 PolarHBondContact O-N 2.75Å; R109-S112 WeakPolarHBondContact O-CB 3.49Å; R109-S112 PolarHBondContact O-N 2.87Å; R109-S112 VanDerWaalsContact O-N 3.16Å; R109-E113 WeakPolarHBondContact O-CG 3.46Å; R109-E113 PolarHBondContact O-N 3.32Å |
| 110 | V | 98.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | V14 I65 I67 A106 V107 S112 E113 L114 | V14-V110 HydrophobicContact CG1-CG1 3.88Å; V14-V110 HydrophobicContact CG2-CG1 3.82Å; I65-V110 HydrophobicContact CG2-CG1 3.94Å; I67-V110 HydrophobicContact CD1-CG2 3.85Å; I67-V110 HydrophobicContact CG1-CG2 3.84Å; A106-V110 PolarHBondContact O-N 3.25Å; V107-V110 PolarHBondContact O-N 2.77Å; V107-V110 VanDerWaalsContact O-N 3.15Å; V110-S112 VanDerWaalsContact C-N 3.29Å; V110-S112 PolarHBondContact O-N 3.07Å; V110-E113 PolarHBondContact O-N 2.71Å; V110-L114 HydrophobicContact CG1-CD1 3.95Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.33Å |
| 111 | M | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 177.2 | -62.1 | -49.7 | 137 | 0 | 0 | 112 | V14 I85 A90 I92 V107 R108 R109 L114 N115 L116 V118 L284 I286 | V14-M111 HydrophobicContact CB-CE 4.27Å; V14-M111 HydrophobicContact CG1-CE 4.41Å; V14-M111 HydrophobicContact CG2-CE 3.9Å; I85-M111 HydrophobicContact CD1-CE 3.84Å; I85-M111 HydrophobicContact CD1-SD 3.49Å; I85-M111 WeakPolarHBondContact CD1-SD 3.41Å; I85-M111 HydrophobicContact CG1-SD 4.37Å; A90-M111 HydrophobicContact CB-CB 4.05Å; A90-M111 HydrophobicContact CB-CG 3.86Å; A90-M111 HydrophobicContact CB-SD 4.29Å; I92-M111 HydrophobicContact CD1-CG 4.25Å; V107-M111 HydrophobicContact CG1-CE 3.67Å; V107-M111 HydrophobicContact CG1-CG 4.26Å; V107-M111 VanDerWaalsContact O-CG 3.32Å; V107-M111 WeakPolarHBondContact O-CG 3.18Å; V107-M111 PolarHBondContact O-N 3Å; R108-M111 PolarHBondContact O-N 3.33Å; R109-M111 VanDerWaalsContact C-N 3.35Å; R109-M111 PolarHBondContact O-N 2.75Å; M111-L114 PolarHBondContact O-N 2.99Å; M111-N115 PolarHBondContact O-N 3.08Å; M111-L116 HydrophobicContact CB-CD1 4.33Å; M111-L116 HydrophobicContact CG-CD1 4.49Å; M111-L116 WeakPolarHBondContact O-CB 3.27Å; M111-L116 PolarHBondContact O-N 3.05Å; M111-L116 VanDerWaalsContact O-N 3.07Å; M111-L116 HydrophobicContact SD-CD1 3.65Å; M111-V118 HydrophobicContact CB-CG2 3.84Å; M111-L284 HydrophobicContact CE-CD1 3.64Å; M111-I286 HydrophobicContact CE-CD1 4.2Å; M111-I286 HydrophobicContact SD-CD1 3.91Å |
| 112 | S | 96.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.2 | -53.6 | 0 | 0 | 0 | 0 | 112 | R108 R109 V110 L114 N115 | R108-S112 PolarHBondContact O-N 2.91Å; R108-S112 PolarHBondContact O-OG 3.38Å; R109-S112 WeakPolarHBondContact O-CB 3.49Å; R109-S112 PolarHBondContact O-N 2.87Å; R109-S112 VanDerWaalsContact O-N 3.16Å; V110-S112 VanDerWaalsContact C-N 3.29Å; V110-S112 PolarHBondContact O-N 3.07Å; S112-L114 PolarHBondContact O-N 2.79Å; S112-N115 WeakPolarHBondContact O-CA 3.24Å; S112-N115 PolarHBondContact O-N 2.73Å |
| 113 | E | 96.3 | Very high | 94.6 | Very high | 146 Ų | 146 | 52.1 Ų | 52.1 | 68% | 0.682 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.4 | -26.4 | 176.7 | -72.3 | 172.1 | -172.6 | 0 | 0 | 112.8 | R109 V110 N115 | R109-E113 WeakPolarHBondContact O-CG 3.46Å; R109-E113 PolarHBondContact O-N 3.32Å; V110-E113 PolarHBondContact O-N 2.71Å; E113-N115 PolarHBondContact O-N 3.09Å |
| 114 | L | 95.4 | Very high | 92.9 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 4 | 172.5 | -67.7 | 173.6 | 0 | 0 | 0 | 113.8 | V14 I65 V110 M111 S112 L116 I286 | V14-L114 HydrophobicContact CG2-CD1 4.14Å; I65-L114 HydrophobicContact CD1-CD1 3.75Å; I65-L114 HydrophobicContact CD1-CD2 3.6Å; I65-L114 HydrophobicContact CD1-CG 4.08Å; V110-L114 HydrophobicContact CG1-CD1 3.95Å; V110-L114 HydrophobicContact CG1-CG 4.45Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.28Å; V110-L114 PolarHBondContact O-N 3.33Å; M111-L114 PolarHBondContact O-N 2.99Å; S112-L114 PolarHBondContact O-N 2.79Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 HydrophobicContact CB-CG 4.29Å; L114-L116 PolarHBondContact O-N 3.01Å; L114-I286 HydrophobicContact CD1-CD1 3.47Å; L114-I286 VanDerWaalsContact CD1-CD1 3.47Å |
| 115 | N | 95.1 | Very high | 90.8 | Very high | 98 Ų | 98 | 63.5 Ų | 63.5 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 37 | -177.2 | -57.5 | -15.6 | 0 | 0 | 0 | 112.8 | M111 S112 E113 | M111-N115 PolarHBondContact O-N 3.08Å; S112-N115 WeakPolarHBondContact O-CA 3.24Å; S112-N115 PolarHBondContact O-N 2.73Å; E113-N115 PolarHBondContact O-N 3.09Å |
| 116 | L | 96.3 | Very high | 88.6 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | trans | -83.4 | 147.7 | 168.3 | -57.6 | -178.7 | 0 | 0 | 0 | 109.8 | I85 D88 A90 M111 L114 V118 I286 | I85-L116 HydrophobicContact CG2-CD1 4.14Å; D88-L116 CarbonylContact O-C 3.47Å; D88-L116 VanDerWaalsContact O-CA 3.29Å; D88-L116 WeakPolarHBondContact O-CA 3.35Å; D88-L116 WeakPolarHBondContact O-CB 3.33Å; A90-L116 HydrophobicContact CB-CB 4.33Å; A90-L116 HydrophobicContact CB-CD1 4.06Å; M111-L116 HydrophobicContact CB-CD1 4.33Å; M111-L116 HydrophobicContact CG-CD1 4.49Å; M111-L116 WeakPolarHBondContact O-CB 3.27Å; M111-L116 PolarHBondContact O-N 3.05Å; M111-L116 VanDerWaalsContact O-N 3.07Å; M111-L116 HydrophobicContact SD-CD1 3.65Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 HydrophobicContact CB-CG 4.29Å; L114-L116 PolarHBondContact O-N 3.01Å; L116-V118 PolarHBondContact O-N 2.88Å; L116-I286 HydrophobicContact CD1-CD1 4.25Å; L116-I286 HydrophobicContact CD1-CG2 4.31Å; L116-I286 HydrophobicContact CD2-CG2 4.39Å | ||
| 117 | T | 97.1 | Very high | 86.4 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 111 | 165.1 | -59.7 | 0 | 0 | 0 | 0 | 108.2 | D88 T89 A90 | D88-T117 PolarHBondContact O-N 3.32Å; T89-T117 CarbonylContact C-O 3.59Å; T89-T117 WeakPolarHBondContact CA-O 3.43Å; A90-T117 PolarHBondContact N-O 3.1Å |
| 118 | V | 97.9 | Very high | 84.6 | Confident | 43 Ų | 43 | 69.3 Ų | 69.3 | 26% | 0.261 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 121.9 | -179.6 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | I92 R108 M111 L116 E120 | I92-V118 HydrophobicContact CG1-CG1 3.7Å; R108-V118 HydrophobicContact CG-CG1 3.93Å; M111-V118 HydrophobicContact CB-CG2 3.84Å; L116-V118 PolarHBondContact O-N 2.88Å; V118-E120 HydrophobicContact CG1-CG 4.33Å |
| 119 | V | 97.8 | Very high | 83.1 | Confident | 49 Ų | 49 | 70 Ų | 70 | 30% | 0.297 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.2 | 171.5 | 180 | 0 | 0 | 0 | 0 | 107.8 | T89 A90 L91 I92 T164 | T89-V119 HydrophobicContact CG2-CG2 4.17Å; A90-V119 PolarHBondContact O-N 2.93Å; L91-V119 CarbonylContact C-O 3.58Å; L91-V119 WeakPolarHBondContact CA-O 3.18Å; L91-V119 HydrophobicContact CD1-CB 4.35Å; L91-V119 HydrophobicContact CD1-CG1 4.08Å; I92-V119 PolarHBondContact N-O 3.03Å; V119-T164 HydrophobicContact CB-CG2 4.01Å; V119-T164 HydrophobicContact CG1-CG2 4.16Å; V119-T164 HydrophobicContact CG2-CG2 4.01Å |
| 120 | E | 95.5 | Very high | 82.6 | Confident | 118 Ų | 118 | 64 Ų | 64 | 55% | 0.551 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.6 | -179.7 | -67.3 | -177.7 | -147.6 | 0 | 0 | 111.1 | I92 R108 V118 G122 | I92-E120 HydrophobicContact CB-CG 4.19Å; I92-E120 HydrophobicContact CG1-CG 4.42Å; R108-E120 WeakPolarHBondContact CD-OE1 3.38Å; V118-E120 HydrophobicContact CG1-CG 4.33Å; E120-G122 PolarHBondContact O-N 2.65Å; E120-G122 VanDerWaalsContact O-N 3.08Å |
| 121 | M | 93.9 | Very high | 82.4 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.064 | 41% | 0.411 | C | S | . | . | trans | -71 | 102 | 171.3 | -174.5 | 172.1 | -64.5 | 0 | 0 | 110 | L91 I92 R94 A131 L133 V160 | L91-M121 HydrophobicContact CD2-CE 4.31Å; I92-M121 WeakPolarHBondContact O-CB 3.5Å; I92-M121 PolarHBondContact O-N 2.91Å; R94-M121 HydrophobicContact CB-CB 4.06Å; R94-M121 HydrophobicContact CB-CG 3.85Å; R94-M121 HydrophobicContact CB-SD 3.73Å; M121-A131 HydrophobicContact CG-CB 3.81Å; M121-A131 HydrophobicContact SD-CB 3.68Å; M121-L133 HydrophobicContact CE-CB 3.55Å; M121-L133 HydrophobicContact CE-CD1 4.2Å; M121-L133 HydrophobicContact CE-CG 4.33Å; M121-L133 HydrophobicContact SD-CB 3.94Å; M121-V160 HydrophobicContact CB-CG1 4.36Å; M121-V160 HydrophobicContact CE-CB 3.95Å; M121-V160 HydrophobicContact CE-CG1 3.86Å; M121-V160 HydrophobicContact CG-CG1 4.16Å | ||
| 122 | G | 80.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 64 Ų | 64 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 160.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E120 | E120-G122 PolarHBondContact O-N 2.65Å; E120-G122 VanDerWaalsContact O-N 3.08Å |
| 123 | A | 66.4 | Low | 82.4 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 121 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | E125 | A123-E125 PolarHBondContact O-N 2.59Š|
| 124 | E | 61.1 | Low | 82.5 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 135.6 | 172.2 | -81.2 | -170.7 | -148.3 | 0 | 0 | 111 | S128 R156 | E124-S128 PolarHBondContact OE2-OG 3.47Å; E124-R156 VanDerWaalsContact OE1-CD 3.26Å; E124-R156 WeakPolarHBondContact OE1-CD 3.34Å; E124-R156 IonicContact OE1-CZ 3.33Å; E124-R156 IonicContact OE1-NE 2.81Å; E124-R156 PolarHBondContact OE1-NE 2.84Å; E124-R156 IonicContact OE1-NH1 3Å; E124-R156 PolarHBondContact OE1-NH1 2.93Å; E124-R156 VanDerWaalsContact OE1-NH1 3.08Å; E124-R156 IonicContact OE1-NH2 2.8Å; E124-R156 PolarHBondContact OE1-NH2 2.73Å; E124-R156 IonicContact OE2-CZ 3.16Å; E124-R156 IonicContact OE2-NH1 3.82Å; E124-R156 PolarHBondContact OE2-NH1 3.32Å; E124-R156 IonicContact OE2-NH2 2.76Å; E124-R156 PolarHBondContact OE2-NH2 2.96Å |
| 125 | E | 51.5 | Low | 82.6 | Confident | 189 Ų | 189 | 53.9 Ų | 53.9 | 88% | 0.883 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.4 | 139.4 | 166.7 | -64.5 | -175.5 | 167.1 | 0 | 0 | 109.6 | A123 | A123-E125 PolarHBondContact O-N 2.59Š|
| 126 | G | 50.7 | Low | 82.7 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 84% | 0.835 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 108.5 | 21 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | S128 | G126-S128 PolarHBondContact O-N 2.85Š|
| 127 | G | 51.3 | Low | 82.8 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 88% | 0.876 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 83.1 | 7.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 128 | S | 60.1 | Low | 82.9 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 33% | 0.329 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -78.5 | 157.8 | 168.9 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | E124 G126 G130 R156 | E124-S128 PolarHBondContact OE2-OG 3.47Å; G126-S128 PolarHBondContact O-N 2.85Å; S128-G130 VanDerWaalsContact C-N 3.34Å; S128-G130 PolarHBondContact O-N 3.46Å; S128-R156 PolarHBondContact OG-NH1 2.9Å |
| 129 | A | 68.3 | Low | 83 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | trans | -67.2 | 97.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R156 | A129-R156 PolarHBondContact O-NH1 2.81Š| ||
| 130 | G | 86.3 | Confident | 83 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | -56.3 | 170.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S128 T132 N154 | S128-G130 VanDerWaalsContact C-N 3.34Å; S128-G130 PolarHBondContact O-N 3.46Å; G130-T132 PolarHBondContact O-N 3.25Å; G130-N154 PolarHBondContact O-ND2 2.85Å; G130-N154 VanDerWaalsContact O-ND2 3.16Å | ||
| 131 | A | 93.6 | Very high | 83.1 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | trans | -54.3 | 135.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R94 M121 R156 V160 | R94-A131 WeakPolarHBondContact CD-O 3.1Å; R94-A131 PolarHBondContact NH1-O 3.27Å; M121-A131 HydrophobicContact CG-CB 3.81Å; M121-A131 HydrophobicContact SD-CB 3.68Å; A131-R156 HydrophobicContact CB-CB 4.03Å; A131-V160 HydrophobicContact CB-CG2 4.23Å | ||
| 132 | T | 96.4 | Very high | 83.1 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | trans | -131.5 | 135.7 | 168.4 | 64.1 | 0 | 0 | 0 | 0 | 109 | R94 F96 G130 H152 T153 N154 | R94-T132 WeakPolarHBondContact O-CA 3.44Å; F96-T132 HydrophobicContact CD2-CG2 4.4Å; G130-T132 PolarHBondContact O-N 3.25Å; T132-H152 VanDerWaalsContact CB-O 3.28Å; T132-H152 WeakPolarHBondContact CB-O 3.42Å; T132-H152 PolarHBondContact OG1-O 3.05Å; T132-T153 WeakPolarHBondContact O-CA 3.37Å; T132-N154 PolarHBondContact N-OD1 2.92Å; T132-N154 VanDerWaalsContact N-OD1 3.08Å; T132-N154 PolarHBondContact O-N 2.99Å; T132-N154 PolarHBondContact O-OD1 3.44Å | ||
| 133 | L | 98.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -152.4 | 138.3 | 177.1 | -175.3 | 144.6 | 0 | 0 | 0 | 108.7 | V84 T93 R94 M121 V138 V147 T153 G157 L161 | V84-L133 HydrophobicContact CG2-CD2 4.07Å; T93-L133 VanDerWaalsContact CB-O 3.27Å; T93-L133 WeakPolarHBondContact CB-O 3.34Å; T93-L133 HydrophobicContact CG2-CD2 3.39Å; T93-L133 PolarHBondContact OG1-O 3.46Å; R94-L133 CarbonylContact C-O 3.59Å; R94-L133 PolarHBondContact O-N 2.56Å; R94-L133 VanDerWaalsContact O-N 3.16Å; M121-L133 HydrophobicContact CE-CB 3.55Å; M121-L133 HydrophobicContact CE-CD1 4.2Å; M121-L133 HydrophobicContact CE-CG 4.33Å; M121-L133 HydrophobicContact SD-CB 3.94Å; L133-V138 HydrophobicContact CD1-CG2 4.06Å; L133-V138 HydrophobicContact CD2-CG2 3.9Å; L133-V138 HydrophobicContact CG-CG2 4.18Å; L133-V147 HydrophobicContact CD1-CG1 4.34Å; L133-T153 HydrophobicContact CB-CG2 4.19Å; L133-T153 HydrophobicContact CD1-CG2 4.22Å; L133-T153 HydrophobicContact CG-CG2 3.98Å; L133-G157 VanDerWaalsContact CD1-O 3.28Å; L133-G157 WeakPolarHBondContact CD1-O 3.37Å; L133-L161 HydrophobicContact CD1-CB 4.04Å; L133-L161 HydrophobicContact CD1-CD1 3.77Å | ||
| 134 | E | 98.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -121 | 134.5 | 167.6 | -69.8 | -176.1 | 162.5 | 0 | 0 | 109 | D81 P95 R100 S136 D137 H152 T153 R180 | D81-E134 HydrophobicContact CB-CB 3.96Å; D81-E134 HydrophobicContact CB-CG 4.13Å; D81-E134 WeakPolarHBondContact O-CA 3.44Å; P95-E134 HydrophobicContact CB-CG 4.3Å; R100-E134 IonicContact NH1-OE1 2.76Å; R100-E134 PolarHBondContact NH1-OE1 2.91Å; R100-E134 VanDerWaalsContact NH1-OE1 3.16Å; E134-S136 PolarHBondContact O-N 2.93Å; E134-S136 VanDerWaalsContact O-N 3.1Å; E134-D137 WeakPolarHBondContact O-CB 3.28Å; E134-D137 PolarHBondContact O-N 3.01Å; E134-H152 HydrophobicContact CG-CB 4.19Å; E134-H152 IonicContact OE1-ND1 3.32Å; E134-H152 VanDerWaalsContact OE2-CB 3.29Å; E134-H152 WeakPolarHBondContact OE2-CB 3.28Å; E134-H152 IonicContact OE2-CG 2.85Å; E134-H152 VanDerWaalsContact OE2-CG 3.29Å; E134-H152 IonicContact OE2-ND1 3.9Å; E134-H152 PolarHBondContact OE2-ND1 3.08Å; E134-H152 VanDerWaalsContact OE2-ND1 3.12Å; E134-T153 PolarHBondContact N-OG1 3.43Å; E134-T153 VanDerWaalsContact N-OG1 3.08Å; E134-R180 IonicContact OE1-NH2 2.99Å; E134-R180 IonicContact OE2-CZ 3.26Å; E134-R180 IonicContact OE2-NE 2.78Å; E134-R180 PolarHBondContact OE2-NE 3.26Å; E134-R180 IonicContact OE2-NH2 2.78Å; E134-R180 PolarHBondContact OE2-NH2 3.06Å | ||
| 135 | G | 98.4 | Very high | 87 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60.2 | -20.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E80 D81 D137 V138 K182 | E80-G135 WeakPolarHBondContact O-CA 3.44Å; D81-G135 PolarHBondContact O-N 3.2Å; D81-G135 VanDerWaalsContact O-N 3.11Å; G135-D137 PolarHBondContact O-N 2.84Å; G135-V138 PolarHBondContact O-N 3.13Å; G135-K182 VanDerWaalsContact O-CE 3.23Å; G135-K182 WeakPolarHBondContact O-CE 3.48Å; G135-K182 PolarHBondContact O-NZ 3.45Å |
| 136 | S | 97.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -68.5 | -12.8 | 169.9 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | D81 E134 R180 K182 | D81-S136 WeakPolarHBondContact OD1-CB 3.5Å; D81-S136 PolarHBondContact OD1-N 3.46Å; D81-S136 PolarHBondContact OD1-OG 2.86Å; E134-S136 PolarHBondContact O-N 2.93Å; E134-S136 VanDerWaalsContact O-N 3.1Å; S136-R180 VanDerWaalsContact OG-CD 3.22Å; S136-R180 WeakPolarHBondContact OG-CD 3.29Å; S136-R180 WeakPolarHBondContact OG-CG 3.26Å; S136-R180 PolarHBondContact OG-NE 3.26Å; S136-K182 WeakPolarHBondContact O-CB 3.33Å; S136-K182 VanDerWaalsContact O-CG 3.24Å; S136-K182 WeakPolarHBondContact O-CG 3.44Å; S136-K182 PolarHBondContact O-N 2.94Å |
| 137 | D | 98.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -88.7 | -3.1 | 167.3 | -83.1 | -46.8 | 0 | 0 | 0 | 113.2 | E134 G135 V147 G148 S150 T153 R180 L181 | E134-D137 WeakPolarHBondContact O-CB 3.28Å; E134-D137 PolarHBondContact O-N 3.01Å; G135-D137 PolarHBondContact O-N 2.84Å; D137-V147 CarbonylContact O-C 3.48Å; D137-V147 WeakPolarHBondContact O-CA 3.26Å; D137-G148 PolarHBondContact O-N 3.43Å; D137-S150 WeakPolarHBondContact OD2-CB 3.15Å; D137-S150 PolarHBondContact OD2-OG 3.21Å; D137-T153 HydrophobicContact CB-CG2 4.24Å; D137-T153 WeakPolarHBondContact CB-OG1 3.38Å; D137-T153 VanDerWaalsContact OD2-CB 3.26Å; D137-T153 WeakPolarHBondContact OD2-CB 3.18Å; D137-T153 PolarHBondContact OD2-OG1 3.07Å; D137-R180 WeakPolarHBondContact OD1-CA 3.47Å; D137-R180 WeakPolarHBondContact OD1-CB 3.34Å; D137-L181 WeakPolarHBondContact O-CD2 3.43Å; D137-L181 PolarHBondContact OD1-N 3.34Å |
| 138 | V | 98.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.024 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 102.9 | -171.2 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | V84 L133 G135 F145 V147 L161 K182 | V84-V138 HydrophobicContact CG1-CG1 4.05Å; V84-V138 HydrophobicContact CG2-CB 4.16Å; V84-V138 HydrophobicContact CG2-CG1 4.2Å; V84-V138 HydrophobicContact CG2-CG2 4.04Å; L133-V138 HydrophobicContact CD1-CG2 4.06Å; L133-V138 HydrophobicContact CD2-CG2 3.9Å; L133-V138 HydrophobicContact CG-CG2 4.18Å; G135-V138 PolarHBondContact O-N 3.13Å; V138-F145 HydrophobicContact CG1-CD1 3.66Å; V138-F145 HydrophobicContact CG1-CE1 4.21Å; V138-V147 HydrophobicContact CG2-CG1 4.42Å; V138-V147 HydrophobicContact CG2-CG2 4.41Å; V138-L161 HydrophobicContact CB-CD1 4.29Å; V138-L161 HydrophobicContact CG1-CD1 3.63Å; V138-L161 HydrophobicContact CG2-CD1 3.61Å; V138-K182 VanDerWaalsContact C-CE 3.42Å; V138-K182 WeakPolarHBondContact O-CE 3.27Å; V138-K182 PolarHBondContact O-NZ 3.48Å |
| 139 | L | 98.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 107.8 | 173.7 | -176.1 | 71.5 | 0 | 0 | 0 | 110.6 | F145 F146 L181 M187 M208 | L139-F145 WeakPolarHBondContact O-CA 3.38Å; L139-F146 HydrophobicContact CB-CB 4.33Å; L139-F146 HydrophobicContact CD2-CD2 4.46Å; L139-F146 PolarHBondContact N-O 3.26Å; L139-F146 PolarHBondContact O-N 3.03Å; L139-L181 HydrophobicContact CB-CD2 3.97Å; L139-M187 HydrophobicContact CD1-CG 3.86Å; L139-M187 HydrophobicContact CD1-SD 4.16Å; L139-M187 HydrophobicContact CD2-SD 4.43Å; L139-M187 HydrophobicContact CG-SD 4.35Å; L139-M208 HydrophobicContact CD2-CE 3.7Å |
| 140 | F | 98.3 | Very high | 97 | Very high | 41 Ų | 41 | 12.2 Ų | 12.2 | 18% | 0.18 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.4 | 169 | -178.8 | -122.9 | 0 | 0 | 0 | 110.5 | Y7 Q86 E144 F145 F168 M187 | Y7-F140 HydrophobicContact CD2-CD1 4.26Å; Y7-F140 HydrophobicContact CD2-CE1 4.28Å; Y7-F140 AromaticContact CE2-CD1 3.92Å; Y7-F140 HydrophobicContact CE2-CD1 3.92Å; Y7-F140 HydrophobicContact CE2-CE1 4.39Å; Y7-F140 WeakPolarHBondContact CE2-O 3.39Å; Y7-F140 PolarHBondContact OH-O 2.89Å; Q86-F140 HydrophobicContact CG-CE1 4.12Å; Q86-F140 HydrophobicContact CG-CE2 4.39Å; Q86-F140 HydrophobicContact CG-CZ 3.96Å; F140-E144 VanDerWaalsContact CD2-O 3.31Å; F140-E144 WeakPolarHBondContact CD2-O 3.41Å; F140-F145 HydrophobicContact CB-CD1 3.75Å; F140-F145 HydrophobicContact CB-CE1 3.58Å; F140-F145 HydrophobicContact CB-CZ 4.37Å; F140-F145 AromaticContact CD2-CD1 3.77Å; F140-F145 HydrophobicContact CD2-CD1 3.77Å; F140-F145 AromaticContact CD2-CD2 3.98Å; F140-F145 HydrophobicContact CD2-CD2 3.98Å; F140-F145 AromaticContact CD2-CE1 3.5Å; F140-F145 HydrophobicContact CD2-CE1 3.5Å; F140-F145 VanDerWaalsContact CD2-CE1 3.5Å; F140-F145 AromaticContact CD2-CE2 3.71Å; F140-F145 HydrophobicContact CD2-CE2 3.71Å; F140-F145 HydrophobicContact CD2-CG 4.02Å; F140-F145 AromaticContact CD2-CZ 3.46Å; F140-F145 HydrophobicContact CD2-CZ 3.46Å; F140-F145 VanDerWaalsContact CD2-CZ 3.46Å; F140-F145 HydrophobicContact CE2-CD2 4.4Å; F140-F145 HydrophobicContact CE2-CE1 4.41Å; F140-F145 AromaticContact CE2-CE2 3.92Å; F140-F145 HydrophobicContact CE2-CE2 3.92Å; F140-F145 AromaticContact CE2-CZ 3.93Å; F140-F145 HydrophobicContact CE2-CZ 3.93Å; F140-F145 HydrophobicContact CG-CD1 4.15Å; F140-F145 AromaticContact CG-CE1 3.73Å; F140-F145 HydrophobicContact CG-CE1 3.73Å; F140-F145 HydrophobicContact CG-CZ 4.01Å; F140-F168 AromaticContact CE2-CD1 3.66Å; F140-F168 HydrophobicContact CE2-CD1 3.66Å; F140-F168 AromaticContact CE2-CE1 3.72Å; F140-F168 HydrophobicContact CE2-CE1 3.72Å; F140-F168 HydrophobicContact CE2-CG 4.12Å; F140-F168 HydrophobicContact CE2-CZ 4.23Å; F140-F168 HydrophobicContact CZ-CD1 4.14Å; F140-F168 AromaticContact CZ-CE1 3.69Å; F140-F168 HydrophobicContact CZ-CE1 3.69Å; F140-F168 AromaticContact CZ-CZ 3.98Å; F140-F168 HydrophobicContact CZ-CZ 3.98Å; F140-M187 WeakPolarHBondContact O-CG 3.38Å |
| 141 | T | 97.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | trans | -89.9 | -6.7 | -175.8 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | R143 E144 F146 M187 Y216 | T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact OG1-N 3.33Å; T141-R143 VanDerWaalsContact OG1-N 3.16Å; T141-E144 HydrophobicContact CG2-CG 4.29Å; T141-E144 PolarHBondContact N-O 3.39Å; T141-E144 PolarHBondContact OG1-N 2.99Å; T141-E144 VanDerWaalsContact OG1-N 3.15Å; T141-E144 PolarHBondContact OG1-O 3.35Å; T141-F146 HydrophobicContact CG2-CD2 3.95Å; T141-F146 HydrophobicContact CG2-CE2 3.95Å; T141-M187 HydrophobicContact CG2-SD 4.04Å; T141-Y216 WeakPolarHBondContact CB-OH 3.48Å; T141-Y216 HydrophobicContact CG2-CE1 3.99Å; T141-Y216 PolarHBondContact OG1-OH 2.93Å | ||
| 142 | G | 94.3 | Very high | 97.5 | Very high | 15 Ų | 15 | 17 Ų | 17 | 16% | 0.155 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 92.1 | -13 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y7 | Y7-G142 VanDerWaalsContact CD2-CA 3.48Š|
| 143 | R | 94.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 16.4 Ų | 16.4 | 37% | 0.366 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -124 | -34.2 | -178.4 | -57.1 | 175.3 | -172.1 | -89.8 | 1.8 | 112.5 | T141 F168 D191 | T141-R143 VanDerWaalsContact C-N 3.31Å; T141-R143 PolarHBondContact OG1-N 3.33Å; T141-R143 VanDerWaalsContact OG1-N 3.16Å; R143-F168 WeakPolarHBondContact O-CD1 3.35Å; R143-D191 IonicContact CZ-OD1 3.43Å; R143-D191 VanDerWaalsContact CZ-OD1 3.26Å; R143-D191 IonicContact CZ-OD2 3.52Å; R143-D191 IonicContact NE-OD1 3.11Å; R143-D191 PolarHBondContact NE-OD1 3.17Å; R143-D191 VanDerWaalsContact NH2-CG 3.26Å; R143-D191 IonicContact NH2-OD1 3.14Å; R143-D191 PolarHBondContact NH2-OD1 3.15Å; R143-D191 IonicContact NH2-OD2 2.83Å; R143-D191 PolarHBondContact NH2-OD2 3.32Å |
| 144 | E | 97.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 171.4 | -176.8 | 69.2 | -164.7 | 131.5 | 0 | 0 | 110.4 | F140 T141 F146 A169 T212 H214 Y216 | F140-E144 VanDerWaalsContact CD2-O 3.31Å; F140-E144 WeakPolarHBondContact CD2-O 3.41Å; T141-E144 HydrophobicContact CG2-CG 4.29Å; T141-E144 PolarHBondContact N-O 3.39Å; T141-E144 PolarHBondContact OG1-N 2.99Å; T141-E144 VanDerWaalsContact OG1-N 3.15Å; T141-E144 PolarHBondContact OG1-O 3.35Å; E144-F146 HydrophobicContact CG-CD2 4.48Å; E144-F146 HydrophobicContact CG-CE2 4.03Å; E144-F146 HydrophobicContact CG-CZ 4.44Å; E144-A169 WeakPolarHBondContact CA-O 3.44Å; E144-A169 HydrophobicContact CB-CB 4.07Å; E144-A169 WeakPolarHBondContact CB-O 3.33Å; E144-T212 VanDerWaalsContact CD-OG1 3.3Å; E144-T212 WeakPolarHBondContact OE1-CB 3.35Å; E144-T212 PolarHBondContact OE1-OG1 3.06Å; E144-T212 PolarHBondContact OE2-OG1 3.26Å; E144-H214 IonicContact OE1-CD2 3.43Å; E144-H214 PolarHBondContact OE1-CD2 3.41Å; E144-Y216 WeakPolarHBondContact OE1-CE2 3.38Å; E144-Y216 PolarHBondContact OE1-OH 3.25Å |
| 145 | F | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | 171.6 | -65.2 | -90.8 | 0 | 0 | 0 | 110.7 | V84 Q86 V138 L139 F140 L161 F165 F168 A169 V170 S171 | V84-F145 HydrophobicContact CG1-CE1 4.12Å; Q86-F145 HydrophobicContact CB-CZ 4.15Å; Q86-F145 HydrophobicContact CG-CZ 4.13Å; V138-F145 HydrophobicContact CG1-CD1 3.66Å; V138-F145 HydrophobicContact CG1-CE1 4.21Å; L139-F145 WeakPolarHBondContact O-CA 3.38Å; F140-F145 HydrophobicContact CB-CD1 3.75Å; F140-F145 HydrophobicContact CB-CE1 3.58Å; F140-F145 HydrophobicContact CB-CZ 4.37Å; F140-F145 AromaticContact CD2-CD1 3.77Å; F140-F145 HydrophobicContact CD2-CD1 3.77Å; F140-F145 AromaticContact CD2-CD2 3.98Å; F140-F145 HydrophobicContact CD2-CD2 3.98Å; F140-F145 AromaticContact CD2-CE1 3.5Å; F140-F145 HydrophobicContact CD2-CE1 3.5Å; F140-F145 VanDerWaalsContact CD2-CE1 3.5Å; F140-F145 AromaticContact CD2-CE2 3.71Å; F140-F145 HydrophobicContact CD2-CE2 3.71Å; F140-F145 HydrophobicContact CD2-CG 4.02Å; F140-F145 AromaticContact CD2-CZ 3.46Å; F140-F145 HydrophobicContact CD2-CZ 3.46Å; F140-F145 VanDerWaalsContact CD2-CZ 3.46Å; F140-F145 HydrophobicContact CE2-CD2 4.4Å; F140-F145 HydrophobicContact CE2-CE1 4.41Å; F140-F145 AromaticContact CE2-CE2 3.92Å; F140-F145 HydrophobicContact CE2-CE2 3.92Å; F140-F145 AromaticContact CE2-CZ 3.93Å; F140-F145 HydrophobicContact CE2-CZ 3.93Å; F140-F145 HydrophobicContact CG-CD1 4.15Å; F140-F145 AromaticContact CG-CE1 3.73Å; F140-F145 HydrophobicContact CG-CE1 3.73Å; F140-F145 HydrophobicContact CG-CZ 4.01Å; F145-L161 HydrophobicContact CB-CD2 4.12Å; F145-L161 HydrophobicContact CD1-CD2 4.15Å; F145-L161 HydrophobicContact CD2-CD2 4.18Å; F145-L161 HydrophobicContact CG-CD2 3.91Å; F145-F165 HydrophobicContact CE2-CB 3.75Å; F145-F165 HydrophobicContact CE2-CD2 4.27Å; F145-F165 HydrophobicContact CE2-CG 4.09Å; F145-F165 HydrophobicContact CZ-CB 4.21Å; F145-F165 AromaticContact CZ-CD2 3.99Å; F145-F165 HydrophobicContact CZ-CD2 3.99Å; F145-F165 HydrophobicContact CZ-CG 4.02Å; F145-F168 HydrophobicContact CD2-CB 3.66Å; F145-F168 HydrophobicContact CD2-CG 4.26Å; F145-F168 HydrophobicContact CE2-CB 3.62Å; F145-F168 AromaticContact CE2-CD2 3.81Å; F145-F168 HydrophobicContact CE2-CD2 3.81Å; F145-F168 AromaticContact CE2-CG 3.76Å; F145-F168 HydrophobicContact CE2-CG 3.76Å; F145-A169 PolarHBondContact N-O 2.69Å; F145-V170 HydrophobicContact CB-CG1 4.32Å; F145-V170 HydrophobicContact CB-CG2 4.14Å; F145-V170 HydrophobicContact CD2-CG2 4.13Å; F145-V170 WeakPolarHBondContact O-CA 3.34Å; F145-S171 PolarHBondContact O-N 3.17Å |
| 146 | F | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.5 | 157.3 | -65.6 | -79.9 | 0 | 0 | 0 | 109.1 | L139 T141 E144 S171 V173 L181 M208 L211 T212 Y216 | L139-F146 HydrophobicContact CB-CB 4.33Å; L139-F146 HydrophobicContact CD2-CD2 4.46Å; L139-F146 PolarHBondContact N-O 3.26Å; L139-F146 PolarHBondContact O-N 3.03Å; T141-F146 HydrophobicContact CG2-CD2 3.95Å; T141-F146 HydrophobicContact CG2-CE2 3.95Å; E144-F146 HydrophobicContact CG-CD2 4.48Å; E144-F146 HydrophobicContact CG-CE2 4.03Å; E144-F146 HydrophobicContact CG-CZ 4.44Å; F146-S171 CarbonylContact C-O 3.53Å; F146-S171 WeakPolarHBondContact CA-O 3.16Å; F146-V173 HydrophobicContact CB-CG1 4.49Å; F146-L181 HydrophobicContact CB-CD2 4.13Å; F146-M208 HydrophobicContact CB-CE 4.27Å; F146-M208 HydrophobicContact CD1-CB 4.21Å; F146-M208 HydrophobicContact CD1-CE 4.33Å; F146-M208 HydrophobicContact CD1-CG 3.96Å; F146-M208 HydrophobicContact CD2-CE 3.64Å; F146-M208 HydrophobicContact CE1-CB 3.87Å; F146-M208 HydrophobicContact CE1-CG 4.16Å; F146-M208 HydrophobicContact CE2-CE 3.98Å; F146-M208 HydrophobicContact CG-CE 3.82Å; F146-M208 HydrophobicContact CG-CG 4.33Å; F146-M208 HydrophobicContact CZ-CB 4.14Å; F146-M208 HydrophobicContact CZ-CE 4.46Å; F146-L211 HydrophobicContact CE1-CB 4.18Å; F146-T212 HydrophobicContact CZ-CG2 3.97Å; F146-Y216 HydrophobicContact CE2-CE2 4.34Å |
| 147 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.6 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | L133 D137 V138 I149 T153 A158 L161 V170 S171 T172 V173 | L133-V147 HydrophobicContact CD1-CG1 4.34Å; D137-V147 CarbonylContact O-C 3.48Å; D137-V147 WeakPolarHBondContact O-CA 3.26Å; V138-V147 HydrophobicContact CG2-CG1 4.42Å; V138-V147 HydrophobicContact CG2-CG2 4.41Å; V147-I149 PolarHBondContact O-N 3.04Å; V147-T153 HydrophobicContact CG1-CG2 3.76Å; V147-A158 HydrophobicContact CB-CB 4.06Å; V147-A158 HydrophobicContact CG1-CB 3.73Å; V147-A158 HydrophobicContact CG2-CB 4.41Å; V147-L161 HydrophobicContact CG2-CD1 4.15Å; V147-L161 HydrophobicContact CG2-CD2 4.22Å; V147-V170 HydrophobicContact CG2-CG1 3.73Å; V147-S171 PolarHBondContact N-O 3.31Å; V147-T172 CarbonylContact O-C 3.5Å; V147-T172 VanDerWaalsContact O-CA 3.26Å; V147-T172 WeakPolarHBondContact O-CA 3.24Å; V147-V173 PolarHBondContact O-N 3.04Å |
| 148 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 125.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D137 T153 V173 | D137-G148 PolarHBondContact O-N 3.43Å; G148-T153 WeakPolarHBondContact O-CB 3.36Å; G148-T153 WeakPolarHBondContact O-CG2 3.39Å; G148-V173 CarbonylContact C-O 3.47Å; G148-V173 WeakPolarHBondContact CA-O 3.49Å |
| 149 | I | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 15% | 0.154 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 113.1 | 166.4 | -54.7 | -58.7 | 0 | 0 | 0 | 107.5 | V147 Y155 T172 V173 V175 | V147-I149 PolarHBondContact O-N 3.04Å; I149-Y155 HydrophobicContact CD1-CD1 3.75Å; I149-Y155 HydrophobicContact CD1-CE1 3.87Å; I149-Y155 HydrophobicContact CD1-CG 4.12Å; I149-Y155 HydrophobicContact CG1-CD1 4.12Å; I149-Y155 HydrophobicContact CG1-CE1 3.68Å; I149-Y155 HydrophobicContact CG1-CE2 4.5Å; I149-Y155 HydrophobicContact CG2-CD2 4.48Å; I149-Y155 HydrophobicContact CG2-CE2 3.98Å; I149-T172 HydrophobicContact CD1-CG2 3.91Å; I149-T172 HydrophobicContact CG1-CG2 4.36Å; I149-V173 PolarHBondContact N-O 3Å; I149-V175 PolarHBondContact O-N 2.64Å |
| 150 | S | 96.7 | Very high | 97.1 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 19% | 0.189 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -136 | -174.8 | -169.9 | 77.7 | 0 | 0 | 0 | 0 | 110.7 | D137 H152 T153 | D137-S150 WeakPolarHBondContact OD2-CB 3.15Å; D137-S150 PolarHBondContact OD2-OG 3.21Å; S150-H152 PolarHBondContact O-N 2.75Å; S150-H152 PolarHBondContact OG-N 3.19Å; S150-T153 PolarHBondContact N-O 2.84Å; S150-T153 VanDerWaalsContact N-O 3.09Å; S150-T153 PolarHBondContact OG-N 2.9Å |
| 151 | S | 94.6 | Very high | 97.1 | Very high | 84 Ų | 84 | 33.5 Ų | 33.5 | 59% | 0.587 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -68 | -14 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 152 | H | 95.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -104.5 | -31.8 | -176.5 | -62.7 | -95.9 | 0 | 0 | 0 | 112.7 | F96 T132 E134 S150 | F96-H152 HydrophobicContact CB-CB 4.29Å; T132-H152 VanDerWaalsContact CB-O 3.28Å; T132-H152 WeakPolarHBondContact CB-O 3.42Å; T132-H152 PolarHBondContact OG1-O 3.05Å; E134-H152 HydrophobicContact CG-CB 4.19Å; E134-H152 IonicContact OE1-ND1 3.32Å; E134-H152 VanDerWaalsContact OE2-CB 3.29Å; E134-H152 WeakPolarHBondContact OE2-CB 3.28Å; E134-H152 IonicContact OE2-CG 2.85Å; E134-H152 VanDerWaalsContact OE2-CG 3.29Å; E134-H152 IonicContact OE2-ND1 3.9Å; E134-H152 PolarHBondContact OE2-ND1 3.08Å; E134-H152 VanDerWaalsContact OE2-ND1 3.12Å; S150-H152 PolarHBondContact O-N 2.75Å; S150-H152 PolarHBondContact OG-N 3.19Å |
| 153 | T | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -119.7 | 124.7 | -175.2 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | T132 L133 E134 D137 V147 G148 S150 | T132-T153 WeakPolarHBondContact O-CA 3.37Å; L133-T153 HydrophobicContact CB-CG2 4.19Å; L133-T153 HydrophobicContact CD1-CG2 4.22Å; L133-T153 HydrophobicContact CG-CG2 3.98Å; E134-T153 PolarHBondContact N-OG1 3.43Å; E134-T153 VanDerWaalsContact N-OG1 3.08Å; D137-T153 HydrophobicContact CB-CG2 4.24Å; D137-T153 WeakPolarHBondContact CB-OG1 3.38Å; D137-T153 VanDerWaalsContact OD2-CB 3.26Å; D137-T153 WeakPolarHBondContact OD2-CB 3.18Å; D137-T153 PolarHBondContact OD2-OG1 3.07Å; V147-T153 HydrophobicContact CG1-CG2 3.76Å; G148-T153 WeakPolarHBondContact O-CB 3.36Å; G148-T153 WeakPolarHBondContact O-CG2 3.39Å; S150-T153 PolarHBondContact N-O 2.84Å; S150-T153 VanDerWaalsContact N-O 3.09Å; S150-T153 PolarHBondContact OG-N 2.9Å | ||
| 154 | N | 96.9 | Very high | 97.5 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | trans | -108.5 | 169.2 | 179.6 | 70.1 | 15.5 | 0 | 0 | 0 | 112 | G130 T132 R156 G157 A158 | G130-N154 PolarHBondContact O-ND2 2.85Å; G130-N154 VanDerWaalsContact O-ND2 3.16Å; T132-N154 PolarHBondContact N-OD1 2.92Å; T132-N154 VanDerWaalsContact N-OD1 3.08Å; T132-N154 PolarHBondContact O-N 2.99Å; T132-N154 PolarHBondContact O-OD1 3.44Å; N154-R156 VanDerWaalsContact C-N 3.25Å; N154-R156 PolarHBondContact O-N 3.41Å; N154-R156 PolarHBondContact OD1-N 2.87Å; N154-G157 PolarHBondContact O-N 3.15Å; N154-G157 VanDerWaalsContact O-N 3.07Å; N154-G157 PolarHBondContact OD1-N 2.93Å; N154-A158 PolarHBondContact O-N 2.81Å; N154-A158 VanDerWaalsContact O-N 3.15Å | ||
| 155 | Y | 96.8 | Very high | 97.5 | Very high | 130 Ų | 130 | 36.3 Ų | 36.3 | 51% | 0.51 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -57.6 | -36.9 | -179 | -70.6 | -76.4 | 0 | 0 | 0 | 113.1 | I149 G157 A158 E159 T172 | I149-Y155 HydrophobicContact CD1-CD1 3.75Å; I149-Y155 HydrophobicContact CD1-CE1 3.87Å; I149-Y155 HydrophobicContact CD1-CG 4.12Å; I149-Y155 HydrophobicContact CG1-CD1 4.12Å; I149-Y155 HydrophobicContact CG1-CE1 3.68Å; I149-Y155 HydrophobicContact CG1-CE2 4.5Å; I149-Y155 HydrophobicContact CG2-CD2 4.48Å; I149-Y155 HydrophobicContact CG2-CE2 3.98Å; Y155-G157 VanDerWaalsContact C-N 3.34Å; Y155-G157 PolarHBondContact O-N 3.39Å; Y155-A158 CarbonylContact O-C 3.57Å; Y155-A158 WeakPolarHBondContact O-CA 3.35Å; Y155-A158 WeakPolarHBondContact O-CB 3.26Å; Y155-A158 PolarHBondContact O-N 2.96Å; Y155-A158 VanDerWaalsContact O-N 3.12Å; Y155-E159 WeakPolarHBondContact O-CG 2.7Å; Y155-E159 PolarHBondContact O-N 2.78Å; Y155-T172 HydrophobicContact CD1-CG2 4.15Å; Y155-T172 HydrophobicContact CE1-CG2 4.4Å |
| 156 | R | 95.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 176.8 | -72.3 | 165.5 | 162.6 | -149.7 | -25.9 | 112.6 | E124 S128 A129 A131 N154 A158 E159 V160 | E124-R156 VanDerWaalsContact OE1-CD 3.26Å; E124-R156 WeakPolarHBondContact OE1-CD 3.34Å; E124-R156 IonicContact OE1-CZ 3.33Å; E124-R156 IonicContact OE1-NE 2.81Å; E124-R156 PolarHBondContact OE1-NE 2.84Å; E124-R156 IonicContact OE1-NH1 3Å; E124-R156 PolarHBondContact OE1-NH1 2.93Å; E124-R156 VanDerWaalsContact OE1-NH1 3.08Å; E124-R156 IonicContact OE1-NH2 2.8Å; E124-R156 PolarHBondContact OE1-NH2 2.73Å; E124-R156 IonicContact OE2-CZ 3.16Å; E124-R156 IonicContact OE2-NH1 3.82Å; E124-R156 PolarHBondContact OE2-NH1 3.32Å; E124-R156 IonicContact OE2-NH2 2.76Å; E124-R156 PolarHBondContact OE2-NH2 2.96Å; S128-R156 PolarHBondContact OG-NH1 2.9Å; A129-R156 PolarHBondContact O-NH1 2.81Å; A131-R156 HydrophobicContact CB-CB 4.03Å; N154-R156 VanDerWaalsContact C-N 3.25Å; N154-R156 PolarHBondContact O-N 3.41Å; N154-R156 PolarHBondContact OD1-N 2.87Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-E159 PolarHBondContact O-N 2.98Å; R156-V160 WeakPolarHBondContact O-CG2 3.46Å; R156-V160 PolarHBondContact O-N 2.93Å |
| 157 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | L133 N154 Y155 V160 L161 | L133-G157 VanDerWaalsContact CD1-O 3.28Å; L133-G157 WeakPolarHBondContact CD1-O 3.37Å; N154-G157 PolarHBondContact O-N 3.15Å; N154-G157 VanDerWaalsContact O-N 3.07Å; N154-G157 PolarHBondContact OD1-N 2.93Å; Y155-G157 VanDerWaalsContact C-N 3.34Å; Y155-G157 PolarHBondContact O-N 3.39Å; G157-V160 PolarHBondContact O-N 3.43Å; G157-L161 PolarHBondContact O-N 2.83Å; G157-L161 VanDerWaalsContact O-N 3.1Å |
| 158 | A | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V147 N154 Y155 R156 L161 A162 T172 | V147-A158 HydrophobicContact CB-CB 4.06Å; V147-A158 HydrophobicContact CG1-CB 3.73Å; V147-A158 HydrophobicContact CG2-CB 4.41Å; N154-A158 PolarHBondContact O-N 2.81Å; N154-A158 VanDerWaalsContact O-N 3.15Å; Y155-A158 CarbonylContact O-C 3.57Å; Y155-A158 WeakPolarHBondContact O-CA 3.35Å; Y155-A158 WeakPolarHBondContact O-CB 3.26Å; Y155-A158 PolarHBondContact O-N 2.96Å; Y155-A158 VanDerWaalsContact O-N 3.12Å; R156-A158 VanDerWaalsContact C-N 3.31Å; A158-L161 WeakPolarHBondContact O-CB 3.46Å; A158-L161 PolarHBondContact O-N 3.16Å; A158-A162 PolarHBondContact O-N 3.16Å; A158-T172 HydrophobicContact CB-CG2 3.57Å |
| 159 | E | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 58.5 Ų | 58.5 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 174.6 | -73.3 | 168.3 | 175.4 | 0 | 0 | 111.4 | Y155 R156 L161 A162 D163 | Y155-E159 WeakPolarHBondContact O-CG 2.7Å; Y155-E159 PolarHBondContact O-N 2.78Å; R156-E159 PolarHBondContact O-N 2.98Å; E159-L161 PolarHBondContact O-N 2.93Å; E159-A162 WeakPolarHBondContact O-CB 3.23Å; E159-A162 PolarHBondContact O-N 3.35Å; E159-A162 VanDerWaalsContact O-N 3.08Å; E159-D163 PolarHBondContact O-N 2.62Å |
| 160 | V | 97.6 | Very high | 97.1 | Very high | 40 Ų | 40 | 59 Ų | 59 | 24% | 0.242 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L91 M121 A131 R156 G157 D163 T164 | L91-V160 HydrophobicContact CD1-CG1 4.14Å; M121-V160 HydrophobicContact CB-CG1 4.36Å; M121-V160 HydrophobicContact CE-CB 3.95Å; M121-V160 HydrophobicContact CE-CG1 3.86Å; M121-V160 HydrophobicContact CG-CG1 4.16Å; A131-V160 HydrophobicContact CB-CG2 4.23Å; R156-V160 WeakPolarHBondContact O-CG2 3.46Å; R156-V160 PolarHBondContact O-N 2.93Å; G157-V160 PolarHBondContact O-N 3.43Å; V160-D163 PolarHBondContact O-N 3.33Å; V160-T164 WeakPolarHBondContact O-CB 3.23Å; V160-T164 PolarHBondContact O-N 2.94Å; V160-T164 PolarHBondContact O-OG1 3.08Å |
| 161 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 174.7 | -172.3 | 151.5 | 0 | 0 | 0 | 111.7 | V84 L91 L133 V138 F145 V147 G157 A158 E159 T164 F165 V170 | V84-L161 HydrophobicContact CG1-CD1 4.35Å; V84-L161 HydrophobicContact CG2-CD1 4.3Å; L91-L161 HydrophobicContact CD2-CB 4Å; L91-L161 HydrophobicContact CD2-CD1 4.46Å; L91-L161 HydrophobicContact CD2-CG 4.17Å; L133-L161 HydrophobicContact CD1-CB 4.04Å; L133-L161 HydrophobicContact CD1-CD1 3.77Å; V138-L161 HydrophobicContact CB-CD1 4.29Å; V138-L161 HydrophobicContact CG1-CD1 3.63Å; V138-L161 HydrophobicContact CG2-CD1 3.61Å; F145-L161 HydrophobicContact CB-CD2 4.12Å; F145-L161 HydrophobicContact CD1-CD2 4.15Å; F145-L161 HydrophobicContact CD2-CD2 4.18Å; F145-L161 HydrophobicContact CG-CD2 3.91Å; V147-L161 HydrophobicContact CG2-CD1 4.15Å; V147-L161 HydrophobicContact CG2-CD2 4.22Å; G157-L161 PolarHBondContact O-N 2.83Å; G157-L161 VanDerWaalsContact O-N 3.1Å; A158-L161 WeakPolarHBondContact O-CB 3.46Å; A158-L161 PolarHBondContact O-N 3.16Å; E159-L161 PolarHBondContact O-N 2.93Å; L161-T164 PolarHBondContact O-N 2.86Å; L161-F165 HydrophobicContact CD2-CD2 4Å; L161-F165 HydrophobicContact CG-CD2 3.89Å; L161-F165 HydrophobicContact CG-CE2 4.19Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 PolarHBondContact O-N 3.14Å; L161-V170 HydrophobicContact CD2-CG1 3.98Å; L161-V170 HydrophobicContact CD2-CG2 3.83Å |
| 162 | A | 98.3 | Very high | 97.4 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 28% | 0.281 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A158 E159 T164 F165 R166 V170 | A158-A162 PolarHBondContact O-N 3.16Å; E159-A162 WeakPolarHBondContact O-CB 3.23Å; E159-A162 PolarHBondContact O-N 3.35Å; E159-A162 VanDerWaalsContact O-N 3.08Å; A162-T164 PolarHBondContact O-N 3.42Å; A162-F165 CarbonylContact O-C 3.51Å; A162-F165 PolarHBondContact O-N 2.92Å; A162-R166 PolarHBondContact O-N 3.11Å; A162-V170 HydrophobicContact CB-CB 3.9Å; A162-V170 HydrophobicContact CB-CG1 4.27Å; A162-V170 HydrophobicContact CB-CG2 3.8Å |
| 163 | D | 97.7 | Very high | 97.5 | Very high | 108 Ų | 108 | 56 Ų | 56 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.1 | -27.9 | 176.7 | -75.9 | -20.2 | 0 | 0 | 0 | 112.9 | E159 V160 R166 | E159-D163 PolarHBondContact O-N 2.62Å; V160-D163 PolarHBondContact O-N 3.33Å; D163-R166 WeakPolarHBondContact O-CG 3.39Å; D163-R166 PolarHBondContact O-NE 3.3Å |
| 164 | T | 98.1 | Very high | 97.5 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.172 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78.4 | -44.9 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | T89 L91 V119 V160 L161 A162 | T89-T164 HydrophobicContact CG2-CG2 3.83Å; L91-T164 HydrophobicContact CB-CG2 4.1Å; L91-T164 HydrophobicContact CD1-CG2 4.46Å; V119-T164 HydrophobicContact CB-CG2 4.01Å; V119-T164 HydrophobicContact CG1-CG2 4.16Å; V119-T164 HydrophobicContact CG2-CG2 4.01Å; V160-T164 WeakPolarHBondContact O-CB 3.23Å; V160-T164 PolarHBondContact O-N 2.94Å; V160-T164 PolarHBondContact O-OG1 3.08Å; L161-T164 PolarHBondContact O-N 2.86Å; A162-T164 PolarHBondContact O-N 3.42Å |
| 165 | F | 97.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | trans | -110.7 | 56.7 | -174.8 | -57 | -66.9 | 0 | 0 | 0 | 112.4 | V84 Q86 T89 L91 F145 L161 A162 D167 F168 | V84-F165 HydrophobicContact CB-CE2 4.25Å; V84-F165 HydrophobicContact CG1-CE2 3.8Å; V84-F165 HydrophobicContact CG1-CZ 4.17Å; Q86-F165 HydrophobicContact CB-CD1 3.71Å; Q86-F165 HydrophobicContact CB-CE1 3.57Å; Q86-F165 HydrophobicContact CB-CZ 4.29Å; T89-F165 HydrophobicContact CG2-CE1 3.89Å; L91-F165 HydrophobicContact CB-CE2 3.87Å; L91-F165 HydrophobicContact CB-CZ 3.91Å; L91-F165 HydrophobicContact CD2-CE2 4.24Å; F145-F165 HydrophobicContact CE2-CB 3.75Å; F145-F165 HydrophobicContact CE2-CD2 4.27Å; F145-F165 HydrophobicContact CE2-CG 4.09Å; F145-F165 HydrophobicContact CZ-CB 4.21Å; F145-F165 AromaticContact CZ-CD2 3.99Å; F145-F165 HydrophobicContact CZ-CD2 3.99Å; F145-F165 HydrophobicContact CZ-CG 4.02Å; L161-F165 HydrophobicContact CD2-CD2 4Å; L161-F165 HydrophobicContact CG-CD2 3.89Å; L161-F165 HydrophobicContact CG-CE2 4.19Å; L161-F165 WeakPolarHBondContact O-CD2 3.46Å; L161-F165 PolarHBondContact O-N 3.14Å; A162-F165 CarbonylContact O-C 3.51Å; A162-F165 PolarHBondContact O-N 2.92Å; F165-D167 PolarHBondContact O-N 3.08Å; F165-F168 HydrophobicContact CB-CD2 4.27Å; F165-F168 PolarHBondContact O-N 3.36Å | ||
| 166 | R | 96.5 | Very high | 97 | Very high | 208 Ų | 208 | 54 Ų | 54 | 79% | 0.785 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.9 | -170.6 | -53.5 | -176.7 | -153.4 | 161.7 | 6.4 | 115.5 | A162 D163 F168 | A162-R166 PolarHBondContact O-N 3.11Å; D163-R166 WeakPolarHBondContact O-CG 3.39Å; D163-R166 PolarHBondContact O-NE 3.3Å; R166-F168 PolarHBondContact O-N 2.57Å |
| 167 | D | 95.3 | Very high | 96.4 | Very high | 157 Ų | 157 | 50.7 Ų | 50.7 | 84% | 0.84 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.4 | 177.8 | -66.7 | -30.4 | 0 | 0 | 0 | 113.1 | F165 | F165-D167 PolarHBondContact O-N 3.08Š|
| 168 | F | 96.8 | Very high | 96 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 20% | 0.202 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -120.9 | 143.3 | -176.8 | -61.3 | -80.9 | 0 | 0 | 0 | 111.1 | Q86 F140 R143 F145 F165 R166 | Q86-F168 HydrophobicContact CG-CD2 4.35Å; Q86-F168 HydrophobicContact CG-CE2 3.67Å; Q86-F168 HydrophobicContact CG-CZ 4.04Å; Q86-F168 VanDerWaalsContact NE2-CZ 3.26Å; F140-F168 AromaticContact CE2-CD1 3.66Å; F140-F168 HydrophobicContact CE2-CD1 3.66Å; F140-F168 AromaticContact CE2-CE1 3.72Å; F140-F168 HydrophobicContact CE2-CE1 3.72Å; F140-F168 HydrophobicContact CE2-CG 4.12Å; F140-F168 HydrophobicContact CE2-CZ 4.23Å; F140-F168 HydrophobicContact CZ-CD1 4.14Å; F140-F168 AromaticContact CZ-CE1 3.69Å; F140-F168 HydrophobicContact CZ-CE1 3.69Å; F140-F168 AromaticContact CZ-CZ 3.98Å; F140-F168 HydrophobicContact CZ-CZ 3.98Å; R143-F168 WeakPolarHBondContact O-CD1 3.35Å; F145-F168 HydrophobicContact CD2-CB 3.66Å; F145-F168 HydrophobicContact CD2-CG 4.26Å; F145-F168 HydrophobicContact CE2-CB 3.62Å; F145-F168 AromaticContact CE2-CD2 3.81Å; F145-F168 HydrophobicContact CE2-CD2 3.81Å; F145-F168 AromaticContact CE2-CG 3.76Å; F145-F168 HydrophobicContact CE2-CG 3.76Å; F165-F168 HydrophobicContact CB-CD2 4.27Å; F165-F168 PolarHBondContact O-N 3.36Å; R166-F168 PolarHBondContact O-N 2.57Å |
| 169 | A | 97.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 142.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E144 F145 | E144-A169 WeakPolarHBondContact CA-O 3.44Å; E144-A169 HydrophobicContact CB-CB 4.07Å; E144-A169 WeakPolarHBondContact CB-O 3.33Å; F145-A169 PolarHBondContact N-O 2.69Å |
| 170 | V | 98.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.9 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | F145 V147 L161 A162 | F145-V170 HydrophobicContact CB-CG1 4.32Å; F145-V170 HydrophobicContact CB-CG2 4.14Å; F145-V170 HydrophobicContact CD2-CG2 4.13Å; F145-V170 WeakPolarHBondContact O-CA 3.34Å; V147-V170 HydrophobicContact CG2-CG1 3.73Å; L161-V170 HydrophobicContact CD2-CG1 3.98Å; L161-V170 HydrophobicContact CD2-CG2 3.83Å; A162-V170 HydrophobicContact CB-CB 3.9Å; A162-V170 HydrophobicContact CB-CG1 4.27Å; A162-V170 HydrophobicContact CB-CG2 3.8Å |
| 171 | S | 98.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.9 | -179.5 | -72.6 | 0 | 0 | 0 | 0 | 110.1 | F145 F146 V147 | F145-S171 PolarHBondContact O-N 3.17Å; F146-S171 CarbonylContact C-O 3.53Å; F146-S171 WeakPolarHBondContact CA-O 3.16Å; V147-S171 PolarHBondContact N-O 3.31Å |
| 172 | T | 98.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.6 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | V147 I149 Y155 A158 | V147-T172 CarbonylContact O-C 3.5Å; V147-T172 VanDerWaalsContact O-CA 3.26Å; V147-T172 WeakPolarHBondContact O-CA 3.24Å; I149-T172 HydrophobicContact CD1-CG2 3.91Å; I149-T172 HydrophobicContact CG1-CG2 4.36Å; Y155-T172 HydrophobicContact CD1-CG2 4.15Å; Y155-T172 HydrophobicContact CE1-CG2 4.4Å; A158-T172 HydrophobicContact CB-CG2 3.57Å |
| 173 | V | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131 | 178.9 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | F146 V147 G148 I149 V175 L181 T204 M207 M208 L211 | F146-V173 HydrophobicContact CB-CG1 4.49Å; V147-V173 PolarHBondContact O-N 3.04Å; G148-V173 CarbonylContact C-O 3.47Å; G148-V173 WeakPolarHBondContact CA-O 3.49Å; I149-V173 PolarHBondContact N-O 3Å; V173-V175 PolarHBondContact O-N 3.47Å; V173-L181 HydrophobicContact CG1-CD1 4.07Å; V173-L181 HydrophobicContact CG1-CD2 4.07Å; V173-T204 HydrophobicContact CG1-CG2 4.41Å; V173-T204 HydrophobicContact CG2-CG2 3.74Å; V173-M207 HydrophobicContact CG2-CB 3.94Å; V173-M208 HydrophobicContact CB-CG 4.29Å; V173-M208 HydrophobicContact CG1-CG 4.27Å; V173-M208 HydrophobicContact CG2-CG 3.96Å; V173-L211 HydrophobicContact CB-CD1 4.5Å |
| 174 | P | 97 | Very high | 95.4 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 123.6 | 172.4 | -21.2 | 32.8 | 0 | 0 | 0 | 111.6 | C176 M207 | P174-C176 PolarHBondContact O-N 3.12Å; P174-C176 VanDerWaalsContact O-N 3.07Å; P174-C176 PolarHBondContact O-SG 2.84Å; P174-M207 HydrophobicContact CB-SD 4.45Å; P174-M207 HydrophobicContact CG-SD 4.13Å |
| 175 | V | 93.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -74.6 | 101.5 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | I149 V173 G177 L181 | I149-V175 PolarHBondContact O-N 2.64Å; V173-V175 PolarHBondContact O-N 3.47Å; V175-G177 VanDerWaalsContact CG1-O 3.24Å; V175-G177 WeakPolarHBondContact CG1-O 3.17Å; V175-L181 HydrophobicContact CG2-CB 4.14Å | ||
| 176 | C | 90.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 30% | 0.297 | 26% | 0.258 | S | S | . | . | trans | -93.3 | -0.2 | -176.7 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | P174 G200 K203 T204 | P174-C176 PolarHBondContact O-N 3.12Å; P174-C176 VanDerWaalsContact O-N 3.07Å; P174-C176 PolarHBondContact O-SG 2.84Å; C176-G200 WeakPolarHBondContact O-CA 3.35Å; C176-K203 HydrophobicContact CB-CB 4.24Å; C176-K203 HydrophobicContact CB-CD 3.98Å; C176-K203 HydrophobicContact CB-CG 4.25Å; C176-T204 PolarHBondContact N-OG1 2.99Å | ||
| 177 | G | 83.7 | Confident | 95.6 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -158.1 | 147.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | V175 I184 | V175-G177 VanDerWaalsContact CG1-O 3.24Å; V175-G177 WeakPolarHBondContact CG1-O 3.17Å; G177-I184 VanDerWaalsContact O-CG2 3.27Å; G177-I184 WeakPolarHBondContact O-CG2 3.4Å |
| 178 | G | 87.8 | Confident | 95.6 | Very high | 59 Ų | 59 | 26.7 Ų | 26.7 | 61% | 0.608 | 18% | 0.182 | S | C | * | . | S | Bend | trans | 74.7 | -179.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 179 | A | 91.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 41% | 0.405 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -90.8 | -33.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N183 | A179-N183 PolarHBondContact N-OD1 3.32Š|
| 180 | R | 96.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -131.7 | 161.1 | 172.3 | -66.6 | 113.6 | 166.5 | -178.9 | -3.1 | 111.1 | D81 E134 S136 D137 K182 N183 | D81-R180 IonicContact OD2-CZ 2.89Å; D81-R180 IonicContact OD2-NH2 3.88Å; E134-R180 IonicContact OE1-NH2 2.99Å; E134-R180 IonicContact OE2-CZ 3.26Å; E134-R180 IonicContact OE2-NE 2.78Å; E134-R180 PolarHBondContact OE2-NE 3.26Å; E134-R180 IonicContact OE2-NH2 2.78Å; E134-R180 PolarHBondContact OE2-NH2 3.06Å; S136-R180 VanDerWaalsContact OG-CD 3.22Å; S136-R180 WeakPolarHBondContact OG-CD 3.29Å; S136-R180 WeakPolarHBondContact OG-CG 3.26Å; S136-R180 PolarHBondContact OG-NE 3.26Å; D137-R180 WeakPolarHBondContact OD1-CA 3.47Å; D137-R180 WeakPolarHBondContact OD1-CB 3.34Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 3.14Å; R180-N183 PolarHBondContact N-OD1 2.82Å; R180-N183 WeakPolarHBondContact O-CB 3.15Å; R180-N183 PolarHBondContact O-N 2.98Å |
| 181 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -51.4 | -47.4 | 179.8 | -177.2 | 59 | 0 | 0 | 0 | 112.6 | D137 L139 F146 V173 V175 N183 I184 C185 T204 M208 | D137-L181 WeakPolarHBondContact O-CD2 3.43Å; D137-L181 PolarHBondContact OD1-N 3.34Å; L139-L181 HydrophobicContact CB-CD2 3.97Å; F146-L181 HydrophobicContact CB-CD2 4.13Å; V173-L181 HydrophobicContact CG1-CD1 4.07Å; V173-L181 HydrophobicContact CG1-CD2 4.07Å; V175-L181 HydrophobicContact CG2-CB 4.14Å; L181-N183 PolarHBondContact O-N 2.94Å; L181-I184 WeakPolarHBondContact O-CG1 3.43Å; L181-I184 PolarHBondContact O-N 3.12Å; L181-I184 VanDerWaalsContact O-N 3.12Å; L181-C185 PolarHBondContact O-N 2.82Å; L181-C185 PolarHBondContact O-SG 3.16Å; L181-C185 VanDerWaalsContact O-SG 3.41Å; L181-T204 HydrophobicContact CD1-CG2 3.82Å; L181-M208 HydrophobicContact CD1-SD 4.39Å |
| 182 | K | 97.8 | Very high | 94.9 | Very high | 30 Ų | 30 | 24 Ų | 24 | 13% | 0.13 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -74.5 | -4 | -178.5 | -67.2 | -173.6 | -153.8 | 174 | 0 | 115.2 | E80 G135 S136 V138 R180 I184 C185 N228 | E80-K182 VanDerWaalsContact OE1-CD 3.23Å; E80-K182 WeakPolarHBondContact OE1-CD 3.36Å; E80-K182 WeakPolarHBondContact OE1-CE 3.31Å; E80-K182 IonicContact OE1-NZ 3.89Å; E80-K182 PolarHBondContact OE1-NZ 2.95Å; G135-K182 VanDerWaalsContact O-CE 3.23Å; G135-K182 WeakPolarHBondContact O-CE 3.48Å; G135-K182 PolarHBondContact O-NZ 3.45Å; S136-K182 WeakPolarHBondContact O-CB 3.33Å; S136-K182 VanDerWaalsContact O-CG 3.24Å; S136-K182 WeakPolarHBondContact O-CG 3.44Å; S136-K182 PolarHBondContact O-N 2.94Å; V138-K182 VanDerWaalsContact C-CE 3.42Å; V138-K182 WeakPolarHBondContact O-CE 3.27Å; V138-K182 PolarHBondContact O-NZ 3.48Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 3.14Å; K182-I184 PolarHBondContact O-N 2.92Å; K182-C185 CarbonylContact C-O 3.52Å; K182-C185 WeakPolarHBondContact CA-O 3.39Å; K182-N228 WeakPolarHBondContact O-CB 3.39Å; K182-N228 PolarHBondContact O-ND2 3.42Å |
| 183 | N | 95 | Very high | 94.9 | Very high | 31 Ų | 31 | 21.7 Ų | 21.7 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -72 | -18 | 168.2 | -63.5 | 143.1 | 0 | 0 | 0 | 112.3 | A179 R180 L181 | A179-N183 PolarHBondContact N-OD1 3.32Å; R180-N183 PolarHBondContact N-OD1 2.82Å; R180-N183 WeakPolarHBondContact O-CB 3.15Å; R180-N183 PolarHBondContact O-N 2.98Å; L181-N183 PolarHBondContact O-N 2.94Å |
| 184 | I | 96.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.036 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -12.3 | -179.8 | 56.1 | 163.4 | 0 | 0 | 0 | 113.7 | G177 L181 K182 I195 S196 A201 T204 A227 | G177-I184 VanDerWaalsContact O-CG2 3.27Å; G177-I184 WeakPolarHBondContact O-CG2 3.4Å; L181-I184 WeakPolarHBondContact O-CG1 3.43Å; L181-I184 PolarHBondContact O-N 3.12Å; L181-I184 VanDerWaalsContact O-N 3.12Å; K182-I184 PolarHBondContact O-N 2.92Å; I184-I195 WeakPolarHBondContact O-CA 3.21Å; I184-I195 VanDerWaalsContact O-CG1 3.28Å; I184-I195 WeakPolarHBondContact O-CG1 3.34Å; I184-S196 PolarHBondContact O-N 3.01Å; I184-A201 HydrophobicContact CB-CB 3.94Å; I184-A201 HydrophobicContact CD1-CB 4.05Å; I184-A201 HydrophobicContact CG2-CB 4.29Å; I184-T204 HydrophobicContact CD1-CG2 3.99Å; I184-A227 WeakPolarHBondContact O-CB 3.17Å |
| 185 | C | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.8 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | L181 K182 I193 I194 I195 A227 | L181-C185 PolarHBondContact O-N 2.82Å; L181-C185 PolarHBondContact O-SG 3.16Å; L181-C185 VanDerWaalsContact O-SG 3.41Å; K182-C185 CarbonylContact C-O 3.52Å; K182-C185 WeakPolarHBondContact CA-O 3.39Å; C185-I193 HydrophobicContact CB-CG2 4.25Å; C185-I194 CarbonylContact C-O 3.53Å; C185-I194 WeakPolarHBondContact CA-O 3.23Å; C185-I194 VanDerWaalsContact CB-O 3.28Å; C185-I194 WeakPolarHBondContact CB-O 3.31Å; C185-I195 HydrophobicContact CB-CB 4.17Å; C185-I195 HydrophobicContact CB-CD1 4.41Å; C185-I195 HydrophobicContact CB-CG1 3.96Å; C185-A227 CarbonylContact C-O 3.53Å; C185-A227 WeakPolarHBondContact CA-O 3.15Å |
| 186 | S | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 169.6 | 168.9 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | I194 A227 N228 C229 | S186-I194 PolarHBondContact N-O 3.39Å; S186-I194 PolarHBondContact O-N 3.27Å; S186-A227 PolarHBondContact N-O 3.41Å; S186-A227 VanDerWaalsContact N-O 3.1Å; S186-A227 PolarHBondContact OG-O 3.41Å; S186-N228 WeakPolarHBondContact OG-CA 3.38Å; S186-C229 PolarHBondContact OG-N 2.9Å |
| 187 | M | 98.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 123.8 | 168.4 | -63.7 | -55.2 | -64.8 | 0 | 0 | 109.7 | Y7 L139 F140 T141 G189 I193 Y231 | Y7-M187 HydrophobicContact CE1-CB 3.54Å; Y7-M187 HydrophobicContact CE1-CG 3.91Å; Y7-M187 WeakPolarHBondContact OH-CB 3.29Å; Y7-M187 WeakPolarHBondContact OH-CG 3.49Å; L139-M187 HydrophobicContact CD1-CG 3.86Å; L139-M187 HydrophobicContact CD1-SD 4.16Å; L139-M187 HydrophobicContact CD2-SD 4.43Å; L139-M187 HydrophobicContact CG-SD 4.35Å; F140-M187 WeakPolarHBondContact O-CG 3.38Å; T141-M187 HydrophobicContact CG2-SD 4.04Å; M187-G189 WeakPolarHBondContact CE-O 3.29Å; M187-I193 HydrophobicContact CE-CG1 4.4Å; M187-I193 HydrophobicContact SD-CG1 3.84Å; M187-Y231 WeakPolarHBondContact O-CB 3.33Å |
| 188 | G | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -7 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | T192 Y231 Y262 | G188-T192 PolarHBondContact N-O 3.16Å; G188-Y231 WeakPolarHBondContact O-CD2 3.47Å; G188-Y262 WeakPolarHBondContact O-CE1 3.48Å; G188-Y262 PolarHBondContact O-OH 3.09Å |
| 189 | G | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.7 | -178 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M187 D191 T192 Y262 | M187-G189 WeakPolarHBondContact CE-O 3.29Å; G189-D191 PolarHBondContact O-N 3.01Å; G189-D191 VanDerWaalsContact O-N 3.15Å; G189-T192 PolarHBondContact N-O 3.35Å; G189-T192 PolarHBondContact O-N 2.98Å; G189-Y262 WeakPolarHBondContact CA-OH 3.42Å |
| 190 | P | 90.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 23 Ų | 23 | 25% | 0.253 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 105.6 | 171.2 | -0.5 | 20.8 | 0 | 0 | 0 | 106.3 | Y231 | P190-Y231 WeakPolarHBondContact CD-OH 3.43Å; P190-Y231 HydrophobicContact CG-CE1 4.32Å; P190-Y231 VanDerWaalsContact CG-OH 3.28Å; P190-Y231 WeakPolarHBondContact CG-OH 3.45Å |
| 191 | D | 93.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 22.4 Ų | 22.4 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 13.2 | -175.4 | -43.2 | -43 | 0 | 0 | 0 | 115.9 | R143 G189 Y216 E217 | R143-D191 IonicContact CZ-OD1 3.43Å; R143-D191 VanDerWaalsContact CZ-OD1 3.26Å; R143-D191 IonicContact CZ-OD2 3.52Å; R143-D191 IonicContact NE-OD1 3.11Å; R143-D191 PolarHBondContact NE-OD1 3.17Å; R143-D191 VanDerWaalsContact NH2-CG 3.26Å; R143-D191 IonicContact NH2-OD1 3.14Å; R143-D191 PolarHBondContact NH2-OD1 3.15Å; R143-D191 IonicContact NH2-OD2 2.83Å; R143-D191 PolarHBondContact NH2-OD2 3.32Å; G189-D191 PolarHBondContact O-N 3.01Å; G189-D191 VanDerWaalsContact O-N 3.15Å; D191-Y216 HydrophobicContact CB-CD1 4.45Å; D191-Y216 CarbonylContact O-C 3.53Å; D191-Y216 WeakPolarHBondContact O-CA 3.32Å; D191-E217 PolarHBondContact O-N 3.28Å |
| 192 | T | 96.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 14% | 0.135 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 121.5 | 172.3 | -54 | 0 | 0 | 0 | 0 | 111.2 | G188 G189 E217 L219 | G188-T192 PolarHBondContact N-O 3.16Å; G189-T192 PolarHBondContact N-O 3.35Å; G189-T192 PolarHBondContact O-N 2.98Å; T192-E217 CarbonylContact C-O 3.53Å; T192-E217 VanDerWaalsContact CA-O 3.29Å; T192-E217 WeakPolarHBondContact CA-O 3.43Å; T192-L219 HydrophobicContact CG2-CB 4.17Å |
| 193 | I | 98.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123 | 169.7 | -62.6 | 174.6 | 0 | 0 | 0 | 108.5 | C185 M187 I195 M208 Y216 E217 V218 L219 | C185-I193 HydrophobicContact CB-CG2 4.25Å; M187-I193 HydrophobicContact CE-CG1 4.4Å; M187-I193 HydrophobicContact SD-CG1 3.84Å; I193-I195 HydrophobicContact CG2-CB 4.47Å; I193-M208 HydrophobicContact CD1-CE 4.18Å; I193-Y216 HydrophobicContact CD1-CD1 4.26Å; I193-Y216 HydrophobicContact CD1-CD2 4.08Å; I193-Y216 HydrophobicContact CD1-CG 3.81Å; I193-Y216 HydrophobicContact CG1-CD1 4.4Å; I193-Y216 HydrophobicContact CG1-CG 4.29Å; I193-E217 PolarHBondContact N-O 2.96Å; I193-V218 WeakPolarHBondContact O-CA 3.38Å; I193-L219 PolarHBondContact O-N 3.3Å |
| 194 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 131.3 | 169 | -51.9 | -178.6 | 0 | 0 | 0 | 107.3 | C185 S186 L219 V221 C229 L241 F256 | C185-I194 CarbonylContact C-O 3.53Å; C185-I194 WeakPolarHBondContact CA-O 3.23Å; C185-I194 VanDerWaalsContact CB-O 3.28Å; C185-I194 WeakPolarHBondContact CB-O 3.31Å; S186-I194 PolarHBondContact N-O 3.39Å; S186-I194 PolarHBondContact O-N 3.27Å; I194-L219 WeakPolarHBondContact CA-O 3.43Å; I194-L219 HydrophobicContact CD1-CD2 4.32Å; I194-L219 HydrophobicContact CG1-CB 4.28Å; I194-L219 HydrophobicContact CG1-CD2 4.2Å; I194-V221 HydrophobicContact CG2-CG1 3.89Å; I194-V221 HydrophobicContact CG2-CG2 4.22Å; I194-C229 HydrophobicContact CD1-CB 4.04Å; I194-L241 HydrophobicContact CD1-CD1 4.3Å; I194-L241 HydrophobicContact CD1-CD2 4.03Å; I194-F256 HydrophobicContact CD1-CE1 4.17Å |
| 195 | I | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 144.7 | -176 | -166.4 | 171.7 | 0 | 0 | 0 | 112.4 | I184 C185 I193 A201 L205 V218 L219 T220 V221 | I184-I195 WeakPolarHBondContact O-CA 3.21Å; I184-I195 VanDerWaalsContact O-CG1 3.28Å; I184-I195 WeakPolarHBondContact O-CG1 3.34Å; C185-I195 HydrophobicContact CB-CB 4.17Å; C185-I195 HydrophobicContact CB-CD1 4.41Å; C185-I195 HydrophobicContact CB-CG1 3.96Å; I193-I195 HydrophobicContact CG2-CB 4.47Å; I195-A201 HydrophobicContact CD1-CB 4.16Å; I195-A201 HydrophobicContact CG1-CB 3.98Å; I195-L205 HydrophobicContact CD1-CB 3.63Å; I195-L205 HydrophobicContact CD1-CD1 4.11Å; I195-L205 HydrophobicContact CD1-CD2 4.24Å; I195-L205 HydrophobicContact CD1-CG 4.21Å; I195-L205 HydrophobicContact CG2-CD2 4.31Å; I195-V218 HydrophobicContact CG2-CG1 3.49Å; I195-V218 VanDerWaalsContact CG2-CG1 3.49Å; I195-L219 PolarHBondContact N-O 3.23Å; I195-L219 VanDerWaalsContact N-O 3.08Å; I195-T220 CarbonylContact O-C 3.58Å; I195-T220 VanDerWaalsContact O-CA 3.31Å; I195-T220 WeakPolarHBondContact O-CA 3.49Å; I195-V221 PolarHBondContact O-N 2.86Å |
| 196 | S | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 152 | 176.6 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | I184 S198 A201 V221 A227 | I184-S196 PolarHBondContact O-N 3.01Å; S196-S198 PolarHBondContact O-N 2.89Å; S196-S198 PolarHBondContact OG-OG 3.25Å; S196-S198 VanDerWaalsContact OG-OG 3.11Å; S196-A201 VanDerWaalsContact O-CB 3.27Å; S196-A201 WeakPolarHBondContact O-CB 3.37Å; S196-A201 WeakPolarHBondContact OG-CB 3.23Å; S196-V221 CarbonylContact C-O 3.59Å; S196-V221 WeakPolarHBondContact CA-O 3.38Å; S196-A227 VanDerWaalsContact N-CB 3.33Å |
| 197 | N | 96.2 | Very high | 96.7 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | trans | -81.8 | 11.2 | 177.7 | -164.2 | 29.9 | 0 | 0 | 0 | 114 | K202 T220 V221 | N197-K202 WeakPolarHBondContact O-CE 3.4Å; N197-K202 PolarHBondContact O-NZ 3.43Å; N197-K202 WeakPolarHBondContact OD1-CE 3.28Å; N197-K202 PolarHBondContact OD1-NZ 3.32Å; N197-T220 HydrophobicContact CB-CG2 3.69Å; N197-V221 WeakPolarHBondContact CB-O 3.45Å; N197-V221 PolarHBondContact N-O 2.91Å | ||
| 198 | S | 96.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 39 Ų | 39 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -68.8 | 153.5 | 179 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | S196 G200 A201 K202 | S196-S198 PolarHBondContact O-N 2.89Å; S196-S198 PolarHBondContact OG-OG 3.25Å; S196-S198 VanDerWaalsContact OG-OG 3.11Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 3.32Å; S198-A201 PolarHBondContact O-N 3.42Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.27Å; S198-A201 PolarHBondContact OG-N 3.22Å; S198-K202 WeakPolarHBondContact O-CG 3.27Å; S198-K202 PolarHBondContact O-N 2.83Å |
| 199 | D | 96.9 | Very high | 96.6 | Very high | 130 Ų | 130 | 44.1 Ų | 44.1 | 70% | 0.695 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.5 | -37.7 | -179 | -67.9 | -26.5 | 0 | 0 | 0 | 112.4 | K202 K203 | D199-K202 PolarHBondContact O-N 2.96Å; D199-K202 IonicContact OD1-NZ 2.8Å; D199-K203 WeakPolarHBondContact O-CB 3.28Å; D199-K203 PolarHBondContact O-N 3.14Å |
| 200 | G | 96.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C176 S198 K203 T204 | C176-G200 WeakPolarHBondContact O-CA 3.35Å; S198-G200 VanDerWaalsContact C-N 3.3Å; S198-G200 PolarHBondContact O-N 3.32Å; G200-K203 PolarHBondContact O-N 3.11Å; G200-T204 WeakPolarHBondContact O-CB 3.33Å; G200-T204 PolarHBondContact O-N 3.24Å; G200-T204 PolarHBondContact O-OG1 3.38Å |
| 201 | A | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I184 I195 S196 S198 K203 T204 L205 | I184-A201 HydrophobicContact CB-CB 3.94Å; I184-A201 HydrophobicContact CD1-CB 4.05Å; I184-A201 HydrophobicContact CG2-CB 4.29Å; I195-A201 HydrophobicContact CD1-CB 4.16Å; I195-A201 HydrophobicContact CG1-CB 3.98Å; S196-A201 VanDerWaalsContact O-CB 3.27Å; S196-A201 WeakPolarHBondContact O-CB 3.37Å; S196-A201 WeakPolarHBondContact OG-CB 3.23Å; S198-A201 PolarHBondContact O-N 3.42Å; S198-A201 VanDerWaalsContact O-N 3.16Å; S198-A201 WeakPolarHBondContact OG-CB 3.27Å; S198-A201 PolarHBondContact OG-N 3.22Å; A201-K203 VanDerWaalsContact C-N 3.29Å; A201-K203 PolarHBondContact O-N 3.41Å; A201-T204 PolarHBondContact O-N 2.98Å; A201-T204 VanDerWaalsContact O-N 3.17Å; A201-L205 WeakPolarHBondContact O-CB 3.14Å; A201-L205 PolarHBondContact O-N 3.01Å |
| 202 | K | 97.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 30% | 0.3 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 173.8 | -71.3 | 169.6 | -177.8 | 153.4 | 0 | 112.2 | N197 S198 D199 R206 | N197-K202 WeakPolarHBondContact O-CE 3.4Å; N197-K202 PolarHBondContact O-NZ 3.43Å; N197-K202 WeakPolarHBondContact OD1-CE 3.28Å; N197-K202 PolarHBondContact OD1-NZ 3.32Å; S198-K202 WeakPolarHBondContact O-CG 3.27Å; S198-K202 PolarHBondContact O-N 2.83Å; D199-K202 PolarHBondContact O-N 2.96Å; D199-K202 IonicContact OD1-NZ 2.8Å; K202-R206 WeakPolarHBondContact O-CG 3.35Å; K202-R206 PolarHBondContact O-N 3.2Å; K202-R206 VanDerWaalsContact O-N 3.11Å |
| 203 | K | 97.7 | Very high | 97 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 50% | 0.496 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.8 | -176.1 | 177.9 | 174 | -171.1 | 0 | 111.4 | C176 D199 G200 A201 R206 M207 | C176-K203 HydrophobicContact CB-CB 4.24Å; C176-K203 HydrophobicContact CB-CD 3.98Å; C176-K203 HydrophobicContact CB-CG 4.25Å; D199-K203 WeakPolarHBondContact O-CB 3.28Å; D199-K203 PolarHBondContact O-N 3.14Å; G200-K203 PolarHBondContact O-N 3.11Å; A201-K203 VanDerWaalsContact C-N 3.29Å; A201-K203 PolarHBondContact O-N 3.41Å; K203-R206 PolarHBondContact O-N 3.19Å; K203-M207 HydrophobicContact CD-CE 4.48Å; K203-M207 HydrophobicContact CG-CE 4.12Å; K203-M207 WeakPolarHBondContact O-CG 3.46Å; K203-M207 PolarHBondContact O-N 2.86Å |
| 204 | T | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.7 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | V173 C176 L181 I184 G200 A201 R206 M207 M208 | V173-T204 HydrophobicContact CG1-CG2 4.41Å; V173-T204 HydrophobicContact CG2-CG2 3.74Å; C176-T204 PolarHBondContact N-OG1 2.99Å; L181-T204 HydrophobicContact CD1-CG2 3.82Å; I184-T204 HydrophobicContact CD1-CG2 3.99Å; G200-T204 WeakPolarHBondContact O-CB 3.33Å; G200-T204 PolarHBondContact O-N 3.24Å; G200-T204 PolarHBondContact O-OG1 3.38Å; A201-T204 PolarHBondContact O-N 2.98Å; A201-T204 VanDerWaalsContact O-N 3.17Å; T204-R206 PolarHBondContact O-N 3.08Å; T204-M207 WeakPolarHBondContact O-CB 3.19Å; T204-M207 PolarHBondContact O-N 2.93Å; T204-M207 VanDerWaalsContact O-N 3.14Å; T204-M208 HydrophobicContact CG2-SD 4.24Å; T204-M208 WeakPolarHBondContact O-CG 3.43Å; T204-M208 PolarHBondContact O-N 2.82Å |
| 205 | L | 96.8 | Very high | 96.7 | Very high | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 177.4 | -176.6 | 63.4 | 0 | 0 | 0 | 112.6 | I195 A201 M207 M208 E209 V218 | I195-L205 HydrophobicContact CD1-CB 3.63Å; I195-L205 HydrophobicContact CD1-CD1 4.11Å; I195-L205 HydrophobicContact CD1-CD2 4.24Å; I195-L205 HydrophobicContact CD1-CG 4.21Å; I195-L205 HydrophobicContact CG2-CD2 4.31Å; A201-L205 WeakPolarHBondContact O-CB 3.14Å; A201-L205 PolarHBondContact O-N 3.01Å; L205-M207 PolarHBondContact O-N 3.44Å; L205-M208 WeakPolarHBondContact O-CA 3.32Å; L205-M208 WeakPolarHBondContact O-CB 3.47Å; L205-M208 PolarHBondContact O-N 3.16Å; L205-E209 HydrophobicContact CD1-CG 4.41Å; L205-E209 HydrophobicContact CG-CG 4.35Å; L205-E209 WeakPolarHBondContact O-CG 3.29Å; L205-E209 PolarHBondContact O-N 2.98Å; L205-V218 HydrophobicContact CD1-CG2 4.2Å; L205-V218 HydrophobicContact CD2-CG1 3.91Å; L205-V218 HydrophobicContact CD2-CG2 4.18Å |
| 206 | R | 97.1 | Very high | 96.6 | Very high | 165 Ų | 165 | 71 Ų | 71 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.1 | -33.9 | 178.3 | -72.5 | 175.2 | -170.6 | 170 | 3.3 | 112.4 | K202 K203 T204 Q210 | K202-R206 WeakPolarHBondContact O-CG 3.35Å; K202-R206 PolarHBondContact O-N 3.2Å; K202-R206 VanDerWaalsContact O-N 3.11Å; K203-R206 PolarHBondContact O-N 3.19Å; T204-R206 PolarHBondContact O-N 3.08Å; R206-Q210 VanDerWaalsContact O-CG 3.29Å; R206-Q210 WeakPolarHBondContact O-CG 3.22Å; R206-Q210 PolarHBondContact O-N 3.05Å |
| 207 | M | 97.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 76.2 Ų | 76.2 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72 | -42.2 | 174.6 | -67.5 | 175.1 | 175.1 | 0 | 0 | 111 | V173 P174 K203 T204 L205 E209 Q210 L211 | V173-M207 HydrophobicContact CG2-CB 3.94Å; P174-M207 HydrophobicContact CB-SD 4.45Å; P174-M207 HydrophobicContact CG-SD 4.13Å; K203-M207 HydrophobicContact CD-CE 4.48Å; K203-M207 HydrophobicContact CG-CE 4.12Å; K203-M207 WeakPolarHBondContact O-CG 3.46Å; K203-M207 PolarHBondContact O-N 2.86Å; T204-M207 WeakPolarHBondContact O-CB 3.19Å; T204-M207 PolarHBondContact O-N 2.93Å; T204-M207 VanDerWaalsContact O-N 3.14Å; L205-M207 PolarHBondContact O-N 3.44Å; M207-E209 VanDerWaalsContact C-N 3.35Å; M207-E209 PolarHBondContact O-N 3.02Å; M207-Q210 PolarHBondContact O-N 3.2Å; M207-L211 WeakPolarHBondContact O-CD1 3.32Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.4Å; M207-L211 PolarHBondContact O-N 3.05Å |
| 208 | M | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 175.1 | -66 | 168.2 | 61.9 | 0 | 0 | 111.6 | L139 F146 V173 L181 I193 T204 L205 Q210 L211 T212 | L139-M208 HydrophobicContact CD2-CE 3.7Å; F146-M208 HydrophobicContact CB-CE 4.27Å; F146-M208 HydrophobicContact CD1-CB 4.21Å; F146-M208 HydrophobicContact CD1-CE 4.33Å; F146-M208 HydrophobicContact CD1-CG 3.96Å; F146-M208 HydrophobicContact CD2-CE 3.64Å; F146-M208 HydrophobicContact CE1-CB 3.87Å; F146-M208 HydrophobicContact CE1-CG 4.16Å; F146-M208 HydrophobicContact CE2-CE 3.98Å; F146-M208 HydrophobicContact CG-CE 3.82Å; F146-M208 HydrophobicContact CG-CG 4.33Å; F146-M208 HydrophobicContact CZ-CB 4.14Å; F146-M208 HydrophobicContact CZ-CE 4.46Å; V173-M208 HydrophobicContact CB-CG 4.29Å; V173-M208 HydrophobicContact CG1-CG 4.27Å; V173-M208 HydrophobicContact CG2-CG 3.96Å; L181-M208 HydrophobicContact CD1-SD 4.39Å; I193-M208 HydrophobicContact CD1-CE 4.18Å; T204-M208 HydrophobicContact CG2-SD 4.24Å; T204-M208 WeakPolarHBondContact O-CG 3.43Å; T204-M208 PolarHBondContact O-N 2.82Å; L205-M208 WeakPolarHBondContact O-CA 3.32Å; L205-M208 WeakPolarHBondContact O-CB 3.47Å; L205-M208 PolarHBondContact O-N 3.16Å; M208-Q210 PolarHBondContact O-N 2.76Å; M208-L211 PolarHBondContact O-N 2.6Å; M208-T212 WeakPolarHBondContact O-CG2 3.21Å; M208-T212 PolarHBondContact O-N 2.91Å |
| 209 | E | 96.6 | Very high | 96.7 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.7 | -27.1 | 177.3 | -71 | 172.3 | 156.9 | 0 | 0 | 113.1 | L205 M207 | L205-E209 HydrophobicContact CD1-CG 4.41Å; L205-E209 HydrophobicContact CG-CG 4.35Å; L205-E209 WeakPolarHBondContact O-CG 3.29Å; L205-E209 PolarHBondContact O-N 2.98Å; M207-E209 VanDerWaalsContact C-N 3.35Å; M207-E209 PolarHBondContact O-N 3.02Å |
| 210 | Q | 97.1 | Very high | 96.7 | Very high | 163 Ų | 163 | 70.5 Ų | 70.5 | 76% | 0.762 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -82.2 | -15.3 | 175.7 | -72.8 | 175.4 | -12.4 | 0 | 0 | 113.5 | R206 M207 M208 | R206-Q210 VanDerWaalsContact O-CG 3.29Å; R206-Q210 WeakPolarHBondContact O-CG 3.22Å; R206-Q210 PolarHBondContact O-N 3.05Å; M207-Q210 PolarHBondContact O-N 3.2Å; M208-Q210 PolarHBondContact O-N 2.76Å |
| 211 | L | 96.7 | Very high | 96.8 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 41% | 0.414 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -100.9 | -3 | -174.2 | -68.6 | 169 | 0 | 0 | 0 | 113.1 | F146 V173 M207 M208 | F146-L211 HydrophobicContact CE1-CB 4.18Å; V173-L211 HydrophobicContact CB-CD1 4.5Å; M207-L211 WeakPolarHBondContact O-CD1 3.32Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.4Å; M207-L211 PolarHBondContact O-N 3.05Å; M208-L211 PolarHBondContact O-N 2.6Å |
| 212 | T | 96 | Very high | 96.8 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | trans | -133.6 | 144.2 | -177.1 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | E144 F146 M208 H214 Y216 | E144-T212 VanDerWaalsContact CD-OG1 3.3Å; E144-T212 WeakPolarHBondContact OE1-CB 3.35Å; E144-T212 PolarHBondContact OE1-OG1 3.06Å; E144-T212 PolarHBondContact OE2-OG1 3.26Å; F146-T212 HydrophobicContact CZ-CG2 3.97Å; M208-T212 WeakPolarHBondContact O-CG2 3.21Å; M208-T212 PolarHBondContact O-N 2.91Å; T212-H214 VanDerWaalsContact C-N 3.33Å; T212-H214 WeakPolarHBondContact OG1-CB 3.35Å; T212-H214 PolarHBondContact OG1-N 3.3Å; T212-Y216 HydrophobicContact CG2-CD2 4.34Å; T212-Y216 HydrophobicContact CG2-CE2 4.02Å | ||
| 213 | D | 94.4 | Very high | 96.8 | Very high | 173 Ų | 173 | 71.2 Ų | 71.2 | 93% | 0.925 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -89.9 | -3.5 | 168.8 | -64.6 | -42.6 | 0 | 0 | 0 | 111.9 | ||
| 214 | H | 95.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 67.6 Ų | 67.6 | 38% | 0.375 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -84.1 | 135.6 | 179.4 | -62.8 | -47.8 | 0 | 0 | 0 | 111.3 | E144 T212 Y216 | E144-H214 IonicContact OE1-CD2 3.43Å; E144-H214 PolarHBondContact OE1-CD2 3.41Å; T212-H214 VanDerWaalsContact C-N 3.33Å; T212-H214 WeakPolarHBondContact OG1-CB 3.35Å; T212-H214 PolarHBondContact OG1-N 3.3Å; H214-Y216 HydrophobicContact CB-CD2 4.46Å; H214-Y216 HydrophobicContact CB-CE2 3.71Å |
| 215 | H | 94.4 | Very high | 96.5 | Very high | 140 Ų | 140 | 70.1 Ų | 70.1 | 65% | 0.648 | 36% | 0.362 | S | S | * | . | trans | -84.2 | 125.7 | 172.7 | -178.6 | 74 | 0 | 0 | 0 | 110.1 | E217 | H215-E217 IonicContact CD2-OE1 3.59Å; H215-E217 IonicContact CE1-OE1 2.84Å; H215-E217 IonicContact NE2-OE1 3.53Å; H215-E217 PolarHBondContact NE2-OE1 3.29Å | ||
| 216 | Y | 96.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 69 Ų | 69 | 9% | 0.09 | 36% | 0.357 | C | S | . | . | trans | -118.8 | 133.3 | 174.4 | -62.4 | -75.4 | 0 | 0 | 0 | 109.8 | T141 E144 F146 D191 I193 T212 H214 | T141-Y216 WeakPolarHBondContact CB-OH 3.48Å; T141-Y216 HydrophobicContact CG2-CE1 3.99Å; T141-Y216 PolarHBondContact OG1-OH 2.93Å; E144-Y216 WeakPolarHBondContact OE1-CE2 3.38Å; E144-Y216 PolarHBondContact OE1-OH 3.25Å; F146-Y216 HydrophobicContact CE2-CE2 4.34Å; D191-Y216 HydrophobicContact CB-CD1 4.45Å; D191-Y216 CarbonylContact O-C 3.53Å; D191-Y216 WeakPolarHBondContact O-CA 3.32Å; I193-Y216 HydrophobicContact CD1-CD1 4.26Å; I193-Y216 HydrophobicContact CD1-CD2 4.08Å; I193-Y216 HydrophobicContact CD1-CG 3.81Å; I193-Y216 HydrophobicContact CG1-CD1 4.4Å; I193-Y216 HydrophobicContact CG1-CG 4.29Å; T212-Y216 HydrophobicContact CG2-CD2 4.34Å; T212-Y216 HydrophobicContact CG2-CE2 4.02Å; H214-Y216 HydrophobicContact CB-CD2 4.46Å; H214-Y216 HydrophobicContact CB-CE2 3.71Å | ||
| 217 | E | 96.7 | Very high | 96.6 | Very high | 114 Ų | 114 | 61.2 Ų | 61.2 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.7 | 168.6 | -67.9 | -59 | 142.3 | 0 | 0 | 109.6 | D191 T192 I193 H215 | D191-E217 PolarHBondContact O-N 3.28Å; T192-E217 CarbonylContact C-O 3.53Å; T192-E217 VanDerWaalsContact CA-O 3.29Å; T192-E217 WeakPolarHBondContact CA-O 3.43Å; I193-E217 PolarHBondContact N-O 2.96Å; H215-E217 IonicContact CD2-OE1 3.59Å; H215-E217 IonicContact CE1-OE1 2.84Å; H215-E217 IonicContact NE2-OE1 3.53Å; H215-E217 PolarHBondContact NE2-OE1 3.29Å |
| 218 | V | 97.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 115.2 | -177.3 | -179.7 | 0 | 0 | 0 | 0 | 110 | I193 I195 L205 | I193-V218 WeakPolarHBondContact O-CA 3.38Å; I195-V218 HydrophobicContact CG2-CG1 3.49Å; I195-V218 VanDerWaalsContact CG2-CG1 3.49Å; L205-V218 HydrophobicContact CD1-CG2 4.2Å; L205-V218 HydrophobicContact CD2-CG1 3.91Å; L205-V218 HydrophobicContact CD2-CG2 4.18Å |
| 219 | L | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 95.4 | 169.7 | -176.5 | 64.6 | 0 | 0 | 0 | 109.7 | T192 I193 I194 I195 A255 K258 L259 | T192-L219 HydrophobicContact CG2-CB 4.17Å; I193-L219 PolarHBondContact O-N 3.3Å; I194-L219 WeakPolarHBondContact CA-O 3.43Å; I194-L219 HydrophobicContact CD1-CD2 4.32Å; I194-L219 HydrophobicContact CG1-CB 4.28Å; I194-L219 HydrophobicContact CG1-CD2 4.2Å; I195-L219 PolarHBondContact N-O 3.23Å; I195-L219 VanDerWaalsContact N-O 3.08Å; L219-A255 HydrophobicContact CD1-CB 4.08Å; L219-A255 HydrophobicContact CG-CB 4.44Å; L219-K258 HydrophobicContact CD1-CD 4.37Å; L219-L259 HydrophobicContact CD2-CD1 3.97Å; L219-L259 HydrophobicContact CD2-CD2 4.34Å; L219-L259 HydrophobicContact CD2-CG 4.2Å |
| 220 | T | 98.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.5 | 177.2 | -53 | 0 | 0 | 0 | 0 | 111.4 | I195 N197 | I195-T220 CarbonylContact O-C 3.58Å; I195-T220 VanDerWaalsContact O-CA 3.31Å; I195-T220 WeakPolarHBondContact O-CA 3.49Å; N197-T220 HydrophobicContact CB-CG2 3.69Å |
| 221 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.2 | 174.6 | -64 | 0 | 0 | 0 | 0 | 111.3 | I194 I195 S196 N197 A226 A227 A255 F256 | I194-V221 HydrophobicContact CG2-CG1 3.89Å; I194-V221 HydrophobicContact CG2-CG2 4.22Å; I195-V221 PolarHBondContact O-N 2.86Å; S196-V221 CarbonylContact C-O 3.59Å; S196-V221 WeakPolarHBondContact CA-O 3.38Å; N197-V221 WeakPolarHBondContact CB-O 3.45Å; N197-V221 PolarHBondContact N-O 2.91Å; V221-A226 HydrophobicContact CB-CB 4.08Å; V221-A226 HydrophobicContact CG1-CB 4.42Å; V221-A226 HydrophobicContact CG2-CB 3.93Å; V221-A227 HydrophobicContact CG2-CB 3.83Å; V221-A255 HydrophobicContact CG1-CB 3.9Å; V221-F256 HydrophobicContact CG1-CE1 4.47Å; V221-F256 HydrophobicContact CG1-CZ 4.34Å |
| 222 | P | 97.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -71.7 | -32.7 | -177.9 | 27.3 | -33.5 | 0 | 0 | 0 | 113.1 | E251 S252 | P222-E251 HydrophobicContact CB-CB 4.39Å; P222-E251 HydrophobicContact CG-CB 3.66Å; P222-E251 WeakPolarHBondContact CG-O 3.01Å; P222-S252 WeakPolarHBondContact CD-OG 3.31Å |
| 223 | E | 96.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -100.1 | 128.4 | -174.7 | -62.5 | 159.2 | 114 | 0 | 0 | 110.8 | A225 A226 C249 P250 E251 S252 | E223-A225 VanDerWaalsContact C-N 3.3Å; E223-A225 PolarHBondContact O-N 3.36Å; E223-A226 HydrophobicContact CB-CB 4.44Å; E223-A226 WeakPolarHBondContact O-CB 3.31Å; E223-A226 PolarHBondContact O-N 3.01Å; E223-C249 HydrophobicContact CB-CB 4.43Å; E223-C249 VanDerWaalsContact CD-CA 3.48Å; E223-C249 VanDerWaalsContact OE1-CA 3.31Å; E223-C249 WeakPolarHBondContact OE1-CA 3.42Å; E223-C249 WeakPolarHBondContact OE2-CA 3.49Å; E223-C249 VanDerWaalsContact OE2-CB 3.31Å; E223-C249 WeakPolarHBondContact OE2-CB 3.31Å; E223-P250 VanDerWaalsContact OE1-CD 3.27Å; E223-P250 WeakPolarHBondContact OE1-CD 3.43Å; E223-E251 HydrophobicContact CG-CB 4.21Å; E223-E251 PolarHBondContact OE2-N 3.04Å; E223-S252 WeakPolarHBondContact CB-OG 3.33Å; E223-S252 PolarHBondContact N-OG 2.96Å; E223-S252 WeakPolarHBondContact OE2-CB 3.39Å; E223-S252 PolarHBondContact OE2-N 3.07Å; E223-S252 PolarHBondContact OE2-OG 3.34Å |
| 224 | G | 94 | Very high | 96.5 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 39% | 0.392 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -57.2 | -40.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A226 A227 | G224-A226 PolarHBondContact O-N 3.02Å; G224-A227 WeakPolarHBondContact O-CB 3.19Å; G224-A227 PolarHBondContact O-N 3.15Å |
| 225 | A | 94.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -61.7 | -30.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E223 A227 P244 | E223-A225 VanDerWaalsContact C-N 3.3Å; E223-A225 PolarHBondContact O-N 3.36Å; A225-A227 PolarHBondContact O-N 3.28Å; A225-P244 WeakPolarHBondContact O-CG 3.32Å |
| 226 | A | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -72 | -14.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V221 E223 G224 N228 C229 C249 S252 F256 | V221-A226 HydrophobicContact CB-CB 4.08Å; V221-A226 HydrophobicContact CG1-CB 4.42Å; V221-A226 HydrophobicContact CG2-CB 3.93Å; E223-A226 HydrophobicContact CB-CB 4.44Å; E223-A226 WeakPolarHBondContact O-CB 3.31Å; E223-A226 PolarHBondContact O-N 3.01Å; G224-A226 PolarHBondContact O-N 3.02Å; A226-N228 VanDerWaalsContact C-N 3.26Å; A226-N228 PolarHBondContact O-N 3.15Å; A226-C229 PolarHBondContact O-SG 3.29Å; A226-C229 VanDerWaalsContact O-SG 3.41Å; A226-C249 HydrophobicContact CB-CB 4.05Å; A226-S252 VanDerWaalsContact CB-CB 3.42Å; A226-S252 VanDerWaalsContact CB-OG 3.28Å; A226-S252 WeakPolarHBondContact CB-OG 3.23Å; A226-F256 HydrophobicContact CB-CE2 4.06Å; A226-F256 HydrophobicContact CB-CZ 3.92Å; A226-F256 WeakPolarHBondContact O-CZ 3.35Å |
| 227 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -76.9 | -14.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I184 C185 S186 S196 V221 G224 A225 | I184-A227 WeakPolarHBondContact O-CB 3.17Å; C185-A227 CarbonylContact C-O 3.53Å; C185-A227 WeakPolarHBondContact CA-O 3.15Å; S186-A227 PolarHBondContact N-O 3.41Å; S186-A227 VanDerWaalsContact N-O 3.1Å; S186-A227 PolarHBondContact OG-O 3.41Å; S196-A227 VanDerWaalsContact N-CB 3.33Å; V221-A227 HydrophobicContact CG2-CB 3.83Å; G224-A227 WeakPolarHBondContact O-CB 3.19Å; G224-A227 PolarHBondContact O-N 3.15Å; A225-A227 PolarHBondContact O-N 3.28Å |
| 228 | N | 98.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | trans | -106.2 | 107.5 | 176.5 | -172.8 | -90.1 | 0 | 0 | 0 | 110.6 | K182 S186 A226 S278 L279 T280 | K182-N228 WeakPolarHBondContact O-CB 3.39Å; K182-N228 PolarHBondContact O-ND2 3.42Å; S186-N228 WeakPolarHBondContact OG-CA 3.38Å; A226-N228 VanDerWaalsContact C-N 3.26Å; A226-N228 PolarHBondContact O-N 3.15Å; N228-S278 PolarHBondContact ND2-OG 3.22Å; N228-S278 WeakPolarHBondContact OD1-CB 3.32Å; N228-S278 PolarHBondContact OD1-OG 3.31Å; N228-L279 PolarHBondContact OD1-N 2.91Å; N228-T280 WeakPolarHBondContact ND2-CG2 3.5Å; N228-T280 PolarHBondContact ND2-OG1 3.42Å; N228-T280 WeakPolarHBondContact OD1-CG2 3.26Å; N228-T280 PolarHBondContact OD1-N 2.92Å; N228-T280 PolarHBondContact OD1-OG1 3Å | ||
| 229 | C | 98.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | trans | -125.2 | 164.8 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | S186 I194 A226 L241 L242 T280 | S186-C229 PolarHBondContact OG-N 2.9Å; I194-C229 HydrophobicContact CD1-CB 4.04Å; A226-C229 PolarHBondContact O-SG 3.29Å; A226-C229 VanDerWaalsContact O-SG 3.41Å; C229-L241 HydrophobicContact CB-CD1 3.7Å; C229-L241 HydrophobicContact CB-CG 4.12Å; C229-L242 VanDerWaalsContact CA-O 3.29Å; C229-L242 WeakPolarHBondContact CA-O 3.42Å; C229-L242 VanDerWaalsContact CB-O 3.26Å; C229-L242 WeakPolarHBondContact CB-O 3.46Å; C229-T280 WeakPolarHBondContact O-CG2 3.38Å | ||
| 230 | V | 98.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 107.6 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | V232 L242 L279 T280 L285 | V230-V232 HydrophobicContact CG1-CG2 4.28Å; V230-L242 HydrophobicContact CB-CB 4.15Å; V230-L242 PolarHBondContact N-O 3.27Å; V230-L242 PolarHBondContact O-N 2.8Å; V230-L279 HydrophobicContact CG2-CB 4.09Å; V230-T280 HydrophobicContact CG2-CG2 3.97Å; V230-L285 HydrophobicContact CG1-CD1 3.69Å |
| 231 | Y | 98.3 | Very high | 92.9 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.7 | 173.1 | 170.8 | -104.7 | 0 | 0 | 0 | 111.2 | Y7 M187 G188 P190 R233 D239 Y262 | Y7-Y231 AromaticContact CD1-CD1 3.79Å; Y7-Y231 HydrophobicContact CD1-CD1 3.79Å; Y7-Y231 AromaticContact CD1-CE1 3.87Å; Y7-Y231 HydrophobicContact CD1-CE1 3.87Å; Y7-Y231 AromaticContact CE1-CD1 3.65Å; Y7-Y231 HydrophobicContact CE1-CD1 3.65Å; Y7-Y231 HydrophobicContact CE1-CE1 4.22Å; M187-Y231 WeakPolarHBondContact O-CB 3.33Å; G188-Y231 WeakPolarHBondContact O-CD2 3.47Å; P190-Y231 WeakPolarHBondContact CD-OH 3.43Å; P190-Y231 HydrophobicContact CG-CE1 4.32Å; P190-Y231 VanDerWaalsContact CG-OH 3.28Å; P190-Y231 WeakPolarHBondContact CG-OH 3.45Å; Y231-R233 HydrophobicContact CE1-CB 4.33Å; Y231-D239 HydrophobicContact CD2-CB 4.49Å; Y231-D239 HydrophobicContact CE2-CB 3.58Å; Y231-D239 WeakPolarHBondContact CE2-OD2 3.45Å; Y231-D239 PolarHBondContact OH-OD2 3Å; Y231-Y262 HydrophobicContact CD2-CD1 4.35Å; Y231-Y262 AromaticContact CD2-CE1 3.6Å; Y231-Y262 HydrophobicContact CD2-CE1 3.6Å; Y231-Y262 HydrophobicContact CE2-CD1 4.35Å; Y231-Y262 AromaticContact CE2-CE1 3.48Å; Y231-Y262 HydrophobicContact CE2-CE1 3.48Å; Y231-Y262 VanDerWaalsContact CE2-CE1 3.48Å |
| 232 | V | 97.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 123.4 | 169.6 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | F10 V60 V230 G234 Y240 L285 | F10-V232 HydrophobicContact CD2-CB 4.45Å; F10-V232 HydrophobicContact CD2-CG1 4.06Å; F10-V232 HydrophobicContact CD2-CG2 4.09Å; V60-V232 HydrophobicContact CG1-CB 3.81Å; V60-V232 HydrophobicContact CG1-CG1 3.48Å; V60-V232 VanDerWaalsContact CG1-CG1 3.48Å; V60-V232 HydrophobicContact CG1-CG2 4.14Å; V230-V232 HydrophobicContact CG1-CG2 4.28Å; V232-G234 PolarHBondContact O-N 3.18Å; V232-Y240 PolarHBondContact N-O 3.15Å; V232-Y240 PolarHBondContact O-N 2.81Å; V232-L285 HydrophobicContact CG2-CD1 4.35Å |
| 233 | R | 94.7 | Very high | 93 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | trans | -66.2 | 127.4 | 170.8 | 171.8 | 163.7 | -62.7 | 116.8 | -10.7 | 109.8 | P6 Y7 G8 R9 Y231 D239 | P6-R233 PolarHBondContact O-NH1 3.27Å; Y7-R233 PolarHBondContact O-NH1 3.38Å; G8-R233 PolarHBondContact O-N 2.91Å; R9-R233 HydrophobicContact CG-CB 4Å; R9-R233 HydrophobicContact CG-CG 3.99Å; Y231-R233 HydrophobicContact CE1-CB 4.33Å; R233-D239 WeakPolarHBondContact CA-OD1 3.32Å; R233-D239 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 234 | G | 88.2 | Confident | 93.1 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -75.4 | 163.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V232 S236 V238 D239 | V232-G234 PolarHBondContact O-N 3.18Å; G234-S236 PolarHBondContact O-N 3.49Å; G234-V238 WeakPolarHBondContact CA-O 3.42Å; G234-D239 PolarHBondContact N-OD1 2.8Å; G234-D239 VanDerWaalsContact N-OD1 3.15Å | ||
| 235 | P | 76.9 | Confident | 93.3 | Very high | 134 Ų | 134 | 33.1 Ų | 33.1 | 87% | 0.87 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -71.7 | -16.4 | 174.4 | 28.9 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 236 | S | 75.1 | Confident | 93.4 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 66% | 0.664 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -111.2 | -159 | 179 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | G234 V238 | G234-S236 PolarHBondContact O-N 3.49Å; S236-V238 PolarHBondContact O-N 3.41Å |
| 237 | K | 73.8 | Confident | 93.4 | Very high | 197 Ų | 197 | 42 Ų | 42 | 86% | 0.857 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -77.4 | 4.9 | 176.8 | -64.9 | -168 | 177.6 | -174.8 | 0 | 114.9 | ||
| 238 | V | 84.9 | Confident | 93.3 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | trans | -117.7 | 120.7 | -176 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | G234 S236 T263 | G234-V238 WeakPolarHBondContact CA-O 3.42Å; S236-V238 PolarHBondContact O-N 3.41Å; V238-T263 WeakPolarHBondContact CG1-OG1 3.41Å | ||
| 239 | D | 94.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 163.5 | 175.6 | -71.1 | -20 | 0 | 0 | 0 | 110.9 | Y231 R233 G234 D261 Y262 T263 | Y231-D239 HydrophobicContact CD2-CB 4.49Å; Y231-D239 HydrophobicContact CE2-CB 3.58Å; Y231-D239 WeakPolarHBondContact CE2-OD2 3.45Å; Y231-D239 PolarHBondContact OH-OD2 3Å; R233-D239 WeakPolarHBondContact CA-OD1 3.32Å; R233-D239 WeakPolarHBondContact CG-OD1 3.42Å; G234-D239 PolarHBondContact N-OD1 2.8Å; G234-D239 VanDerWaalsContact N-OD1 3.15Å; D239-D261 PolarHBondContact N-O 3.48Å; D239-Y262 HydrophobicContact CB-CD1 3.92Å; D239-Y262 HydrophobicContact CB-CE1 4Å; D239-Y262 HydrophobicContact CB-CG 4.39Å; D239-Y262 CarbonylContact O-C 3.59Å; D239-Y262 WeakPolarHBondContact O-CA 3.4Å; D239-T263 PolarHBondContact O-N 3.49Å |
| 240 | Y | 97.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136.9 | 178.8 | -59.4 | -90.5 | 0 | 0 | 0 | 109.9 | K59 V60 V232 T263 L265 | K59-Y240 WeakPolarHBondContact O-CE1 3.25Å; K59-Y240 PolarHBondContact O-OH 3.28Å; V60-Y240 HydrophobicContact CG1-CD2 4.18Å; V60-Y240 HydrophobicContact CG1-CG 4.46Å; V60-Y240 HydrophobicContact CG2-CD1 4.21Å; V60-Y240 HydrophobicContact CG2-CG 3.99Å; V232-Y240 PolarHBondContact N-O 3.15Å; V232-Y240 PolarHBondContact O-N 2.81Å; Y240-T263 WeakPolarHBondContact CA-O 3.49Å; Y240-T263 HydrophobicContact CD1-CG2 3.94Å; Y240-T263 HydrophobicContact CE1-CG2 4.07Å; Y240-L265 HydrophobicContact CD1-CD1 3.95Å; Y240-L265 HydrophobicContact CD1-CG 4.46Å |
| 241 | L | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.6 | 171.3 | -170.6 | 74.2 | 0 | 0 | 0 | 109.3 | I194 C229 F256 L259 Y262 T263 L264 L265 | I194-L241 HydrophobicContact CD1-CD1 4.3Å; I194-L241 HydrophobicContact CD1-CD2 4.03Å; C229-L241 HydrophobicContact CB-CD1 3.7Å; C229-L241 HydrophobicContact CB-CG 4.12Å; L241-F256 HydrophobicContact CD2-CD1 3.96Å; L241-F256 HydrophobicContact CD2-CE1 4.23Å; L241-L259 HydrophobicContact CD2-CD1 3.55Å; L241-Y262 HydrophobicContact CB-CD1 3.99Å; L241-T263 PolarHBondContact N-O 3.36Å; L241-T263 VanDerWaalsContact N-O 3.13Å; L241-L264 HydrophobicContact CB-CD2 4.09Å; L241-L264 HydrophobicContact CD2-CD2 4.13Å; L241-L265 PolarHBondContact O-N 2.83Å |
| 242 | L | 98.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.9 | 166.3 | -69.9 | 68.7 | 0 | 0 | 0 | 107.4 | L52 A55 L56 V60 C229 V230 L265 T267 | L52-L242 HydrophobicContact CG-CD2 4.41Å; A55-L242 HydrophobicContact CB-CD2 4.16Å; L56-L242 HydrophobicContact CD2-CD1 4.36Å; L56-L242 HydrophobicContact CD2-CD2 3.99Å; L56-L242 HydrophobicContact CG-CD2 4.32Å; V60-L242 HydrophobicContact CG2-CD1 4.2Å; C229-L242 VanDerWaalsContact CA-O 3.29Å; C229-L242 WeakPolarHBondContact CA-O 3.42Å; C229-L242 VanDerWaalsContact CB-O 3.26Å; C229-L242 WeakPolarHBondContact CB-O 3.46Å; V230-L242 HydrophobicContact CB-CB 4.15Å; V230-L242 PolarHBondContact N-O 3.27Å; V230-L242 PolarHBondContact O-N 2.8Å; L242-L265 WeakPolarHBondContact CA-O 3.37Å; L242-L265 HydrophobicContact CD1-CB 4.34Å; L242-L265 HydrophobicContact CD1-CD1 3.83Å; L242-L265 HydrophobicContact CG-CB 4.07Å; L242-L265 HydrophobicContact CG-CD1 4.33Å; L242-T267 HydrophobicContact CD2-CG2 4.47Å |
| 243 | H | 98.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.6 | -178.4 | 71.9 | 88.1 | 0 | 0 | 0 | 110.5 | F256 L265 P266 T267 | H243-F256 HydrophobicContact CB-CD1 4.29Å; H243-F256 HydrophobicContact CB-CD2 4.34Å; H243-F256 HydrophobicContact CB-CE1 3.96Å; H243-F256 HydrophobicContact CB-CE2 4.01Å; H243-F256 HydrophobicContact CB-CG 4.48Å; H243-F256 HydrophobicContact CB-CZ 3.8Å; H243-F256 AromaticContact ND1-CD2 3.65Å; H243-F256 AromaticContact ND1-CE2 3.79Å; H243-L265 PolarHBondContact N-O 3.22Å; H243-P266 CarbonylContact O-C 3.57Å; H243-P266 WeakPolarHBondContact O-CA 3.41Å; H243-T267 PolarHBondContact O-N 3.15Å |
| 244 | P | 97.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | trans | -59.2 | 139.7 | 175.6 | -27.9 | 38.9 | 0 | 0 | 0 | 111.9 | A225 E248 C249 L279 | A225-P244 WeakPolarHBondContact O-CG 3.32Å; P244-E248 HydrophobicContact CB-CB 4.44Å; P244-C249 HydrophobicContact CB-CB 4.14Å; P244-L279 HydrophobicContact CG-CD1 4.28Å | ||
| 245 | P | 97.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.071 | 31% | 0.31 | C | S | . | . | trans | -73.9 | 165.8 | -175.7 | 36.8 | -41.2 | 0 | 0 | 0 | 111.4 | E247 E248 C249 P266 T267 A268 | P245-E247 WeakPolarHBondContact CB-OE2 3.38Å; P245-E247 PolarHBondContact O-N 3.07Å; P245-E247 VanDerWaalsContact O-N 3.14Å; P245-E248 HydrophobicContact CG-CB 4.13Å; P245-E248 HydrophobicContact CG-CG 3.88Å; P245-E248 PolarHBondContact O-N 2.84Å; P245-C249 PolarHBondContact O-N 3.04Å; P245-P266 HydrophobicContact CB-CB 3.82Å; P245-T267 WeakPolarHBondContact CD-O 3.44Å; P245-A268 HydrophobicContact CG-CB 4.03Å | ||
| 246 | T | 97.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.1 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | E248 P250 V253 | T246-E248 VanDerWaalsContact C-N 3.26Å; T246-E248 PolarHBondContact O-N 3.28Å; T246-P250 HydrophobicContact CG2-CB 4.37Å; T246-P250 WeakPolarHBondContact O-CA 3.18Å; T246-P250 WeakPolarHBondContact O-CB 3.22Å; T246-P250 WeakPolarHBondContact O-CD 3.36Å; T246-V253 HydrophobicContact CG2-CG2 3.98Å; T246-V253 WeakPolarHBondContact OG1-CG2 3.15Å |
| 247 | E | 97.3 | Very high | 95.5 | Very high | 165 Ų | 165 | 52.1 Ų | 52.1 | 77% | 0.771 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24 | 178.4 | -61.5 | 76.7 | -168.7 | 0 | 0 | 112.9 | P245 | P245-E247 WeakPolarHBondContact CB-OE2 3.38Å; P245-E247 PolarHBondContact O-N 3.07Å; P245-E247 VanDerWaalsContact O-N 3.14Å |
| 248 | E | 96.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -34.7 | 177.7 | -66.9 | -174.2 | 174.5 | 0 | 0 | 112.3 | Q48 P244 P245 T246 A268 C269 S270 | Q48-E248 PolarHBondContact NE2-OE1 3.39Å; P244-E248 HydrophobicContact CB-CB 4.44Å; P245-E248 HydrophobicContact CG-CB 4.13Å; P245-E248 HydrophobicContact CG-CG 3.88Å; P245-E248 PolarHBondContact O-N 2.84Å; T246-E248 VanDerWaalsContact C-N 3.26Å; T246-E248 PolarHBondContact O-N 3.28Å; E248-A268 WeakPolarHBondContact OE1-CA 3.16Å; E248-A268 WeakPolarHBondContact OE1-CB 3.42Å; E248-C269 PolarHBondContact OE1-N 3.47Å; E248-C269 PolarHBondContact OE2-N 3.21Å; E248-C269 VanDerWaalsContact OE2-N 3.15Å; E248-S270 WeakPolarHBondContact OE1-CB 3.45Å; E248-S270 PolarHBondContact OE1-N 2.97Å |
| 249 | C | 97.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | trans | -139.1 | 67.3 | -176.3 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | E223 A226 P244 P245 E251 S252 | E223-C249 HydrophobicContact CB-CB 4.43Å; E223-C249 VanDerWaalsContact CD-CA 3.48Å; E223-C249 VanDerWaalsContact OE1-CA 3.31Å; E223-C249 WeakPolarHBondContact OE1-CA 3.42Å; E223-C249 WeakPolarHBondContact OE2-CA 3.49Å; E223-C249 VanDerWaalsContact OE2-CB 3.31Å; E223-C249 WeakPolarHBondContact OE2-CB 3.31Å; A226-C249 HydrophobicContact CB-CB 4.05Å; P244-C249 HydrophobicContact CB-CB 4.14Å; P245-C249 PolarHBondContact O-N 3.04Å; C249-E251 VanDerWaalsContact C-N 3.35Å; C249-E251 PolarHBondContact O-N 3.46Å; C249-S252 PolarHBondContact O-N 3.23Å | ||
| 250 | P | 97.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 52.6 Ų | 52.6 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -65.1 | -33.7 | -175.8 | 24.9 | -34.7 | 0 | 0 | 0 | 113.7 | E223 T246 S252 | E223-P250 VanDerWaalsContact OE1-CD 3.27Å; E223-P250 WeakPolarHBondContact OE1-CD 3.43Å; T246-P250 HydrophobicContact CG2-CB 4.37Å; T246-P250 WeakPolarHBondContact O-CA 3.18Å; T246-P250 WeakPolarHBondContact O-CB 3.22Å; T246-P250 WeakPolarHBondContact O-CD 3.36Å; P250-S252 VanDerWaalsContact C-N 3.26Å; P250-S252 PolarHBondContact O-N 3.05Å |
| 251 | E | 98.1 | Very high | 96.2 | Very high | 140 Ų | 140 | 56 Ų | 56 | 65% | 0.654 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -74.6 | -20.4 | -177.6 | -60.4 | -173.8 | -172.7 | 0 | 0 | 112.3 | P222 E223 C249 P254 | P222-E251 HydrophobicContact CB-CB 4.39Å; P222-E251 HydrophobicContact CG-CB 3.66Å; P222-E251 WeakPolarHBondContact CG-O 3.01Å; E223-E251 HydrophobicContact CG-CB 4.21Å; E223-E251 PolarHBondContact OE2-N 3.04Å; C249-E251 VanDerWaalsContact C-N 3.35Å; C249-E251 PolarHBondContact O-N 3.46Å; E251-P254 WeakPolarHBondContact O-CD 3.42Å |
| 252 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -88.5 | -13.4 | -179.3 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | P222 E223 A226 C249 P250 P254 A255 F256 | P222-S252 WeakPolarHBondContact CD-OG 3.31Å; E223-S252 WeakPolarHBondContact CB-OG 3.33Å; E223-S252 PolarHBondContact N-OG 2.96Å; E223-S252 WeakPolarHBondContact OE2-CB 3.39Å; E223-S252 PolarHBondContact OE2-N 3.07Å; E223-S252 PolarHBondContact OE2-OG 3.34Å; A226-S252 VanDerWaalsContact CB-CB 3.42Å; A226-S252 VanDerWaalsContact CB-OG 3.28Å; A226-S252 WeakPolarHBondContact CB-OG 3.23Å; C249-S252 PolarHBondContact O-N 3.23Å; P250-S252 VanDerWaalsContact C-N 3.26Å; P250-S252 PolarHBondContact O-N 3.05Å; S252-P254 VanDerWaalsContact C-CD 3.5Å; S252-A255 WeakPolarHBondContact O-CB 3.49Å; S252-A255 PolarHBondContact O-N 3.12Å; S252-F256 WeakPolarHBondContact O-CD2 3.25Å; S252-F256 PolarHBondContact O-N 2.76Å |
| 253 | V | 95.9 | Very high | 96 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.9 | -46.2 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 113.2 | T246 A255 F256 Q257 | T246-V253 HydrophobicContact CG2-CG2 3.98Å; T246-V253 WeakPolarHBondContact OG1-CG2 3.15Å; V253-A255 PolarHBondContact O-N 3.19Å; V253-F256 PolarHBondContact O-N 2.91Å; V253-Q257 HydrophobicContact CG1-CG 4.19Å; V253-Q257 WeakPolarHBondContact O-CG 3.24Å; V253-Q257 PolarHBondContact O-N 3.13Å |
| 254 | P | 97.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 62.3 Ų | 62.3 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -25.2 | 179.3 | -22.8 | 35.2 | 0 | 0 | 0 | 113.7 | E251 S252 | E251-P254 WeakPolarHBondContact O-CD 3.42Å; S252-P254 VanDerWaalsContact C-CD 3.5Å |
| 255 | A | 97.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 63.1 Ų | 63.1 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.1 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L219 V221 S252 V253 Q257 K258 | L219-A255 HydrophobicContact CD1-CB 4.08Å; L219-A255 HydrophobicContact CG-CB 4.44Å; V221-A255 HydrophobicContact CG1-CB 3.9Å; S252-A255 WeakPolarHBondContact O-CB 3.49Å; S252-A255 PolarHBondContact O-N 3.12Å; V253-A255 PolarHBondContact O-N 3.19Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.83Å; A255-K258 WeakPolarHBondContact O-CB 3.33Å; A255-K258 PolarHBondContact O-N 2.75Å |
| 256 | F | 96.7 | Very high | 96 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -34 | 178.2 | -60.9 | -56.6 | 0 | 0 | 0 | 113 | I194 V221 A226 L241 H243 S252 V253 K258 L259 L264 | I194-F256 HydrophobicContact CD1-CE1 4.17Å; V221-F256 HydrophobicContact CG1-CE1 4.47Å; V221-F256 HydrophobicContact CG1-CZ 4.34Å; A226-F256 HydrophobicContact CB-CE2 4.06Å; A226-F256 HydrophobicContact CB-CZ 3.92Å; A226-F256 WeakPolarHBondContact O-CZ 3.35Å; L241-F256 HydrophobicContact CD2-CD1 3.96Å; L241-F256 HydrophobicContact CD2-CE1 4.23Å; H243-F256 HydrophobicContact CB-CD1 4.29Å; H243-F256 HydrophobicContact CB-CD2 4.34Å; H243-F256 HydrophobicContact CB-CE1 3.96Å; H243-F256 HydrophobicContact CB-CE2 4.01Å; H243-F256 HydrophobicContact CB-CG 4.48Å; H243-F256 HydrophobicContact CB-CZ 3.8Å; H243-F256 AromaticContact ND1-CD2 3.65Å; H243-F256 AromaticContact ND1-CE2 3.79Å; S252-F256 WeakPolarHBondContact O-CD2 3.25Å; S252-F256 PolarHBondContact O-N 2.76Å; V253-F256 PolarHBondContact O-N 2.91Å; F256-K258 PolarHBondContact O-N 3.26Å; F256-K258 VanDerWaalsContact O-N 3.08Å; F256-L259 VanDerWaalsContact O-CB 3.28Å; F256-L259 WeakPolarHBondContact O-CB 3.42Å; F256-L259 PolarHBondContact O-N 3.45Å; F256-L264 HydrophobicContact CB-CD1 4Å; F256-L264 HydrophobicContact CB-CD2 4.47Å |
| 257 | Q | 94.5 | Very high | 96 | Very high | 129 Ų | 129 | 62.9 Ų | 62.9 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16.8 | 177.1 | -74.4 | 176 | -18.8 | 0 | 0 | 114 | V253 A255 L259 | V253-Q257 HydrophobicContact CG1-CG 4.19Å; V253-Q257 WeakPolarHBondContact O-CG 3.24Å; V253-Q257 PolarHBondContact O-N 3.13Å; A255-Q257 VanDerWaalsContact C-N 3.34Å; A255-Q257 PolarHBondContact O-N 2.83Å; Q257-L259 PolarHBondContact O-N 2.9Å |
| 258 | K | 93.7 | Very high | 96 | Very high | 150 Ų | 150 | 56.3 Ų | 56.3 | 65% | 0.652 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.9 | 172.5 | -60.9 | 172.7 | -175.1 | 176 | 0 | 112.6 | L219 A255 F256 T260 | L219-K258 HydrophobicContact CD1-CD 4.37Å; A255-K258 WeakPolarHBondContact O-CB 3.33Å; A255-K258 PolarHBondContact O-N 2.75Å; F256-K258 PolarHBondContact O-N 3.26Å; F256-K258 VanDerWaalsContact O-N 3.08Å; K258-T260 VanDerWaalsContact C-N 3.31Å; K258-T260 PolarHBondContact O-N 3.23Å; K258-T260 VanDerWaalsContact O-N 3.1Å |
| 259 | L | 92.4 | Very high | 96 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | trans | -85.1 | 69.1 | 179.5 | -58.2 | 177.9 | 0 | 0 | 0 | 110.3 | L219 L241 F256 Q257 D261 Y262 | L219-L259 HydrophobicContact CD2-CD1 3.97Å; L219-L259 HydrophobicContact CD2-CD2 4.34Å; L219-L259 HydrophobicContact CD2-CG 4.2Å; L241-L259 HydrophobicContact CD2-CD1 3.55Å; F256-L259 VanDerWaalsContact O-CB 3.28Å; F256-L259 WeakPolarHBondContact O-CB 3.42Å; F256-L259 PolarHBondContact O-N 3.45Å; Q257-L259 PolarHBondContact O-N 2.9Å; L259-D261 PolarHBondContact O-N 3.38Å; L259-Y262 HydrophobicContact CB-CD2 3.61Å; L259-Y262 HydrophobicContact CB-CE2 4.19Å; L259-Y262 HydrophobicContact CB-CG 3.92Å; L259-Y262 HydrophobicContact CD2-CD2 4.43Å; L259-Y262 HydrophobicContact CD2-CE2 4.13Å; L259-Y262 HydrophobicContact CG-CD2 4.46Å; L259-Y262 WeakPolarHBondContact O-CB 3.44Å; L259-Y262 PolarHBondContact O-N 2.9Å | ||
| 260 | T | 89.5 | Confident | 95.9 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.1 | -172.5 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | K258 Y262 | K258-T260 VanDerWaalsContact C-N 3.31Å; K258-T260 PolarHBondContact O-N 3.23Å; K258-T260 VanDerWaalsContact O-N 3.1Å; T260-Y262 VanDerWaalsContact C-N 3.27Å; T260-Y262 PolarHBondContact O-N 3.2Å |
| 261 | D | 90 | Very high | 95.9 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 62% | 0.615 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.5 | -178.5 | -59.6 | -30.7 | 0 | 0 | 0 | 112.9 | D239 L259 | D239-D261 PolarHBondContact N-O 3.48Å; L259-D261 PolarHBondContact O-N 3.38Å |
| 262 | Y | 95 | Very high | 95.7 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.9 | -175.7 | -68.2 | -116.1 | 0 | 0 | 0 | 110.8 | G188 G189 Y231 D239 L241 L259 T260 L264 | G188-Y262 WeakPolarHBondContact O-CE1 3.48Å; G188-Y262 PolarHBondContact O-OH 3.09Å; G189-Y262 WeakPolarHBondContact CA-OH 3.42Å; Y231-Y262 HydrophobicContact CD2-CD1 4.35Å; Y231-Y262 AromaticContact CD2-CE1 3.6Å; Y231-Y262 HydrophobicContact CD2-CE1 3.6Å; Y231-Y262 HydrophobicContact CE2-CD1 4.35Å; Y231-Y262 AromaticContact CE2-CE1 3.48Å; Y231-Y262 HydrophobicContact CE2-CE1 3.48Å; Y231-Y262 VanDerWaalsContact CE2-CE1 3.48Å; D239-Y262 HydrophobicContact CB-CD1 3.92Å; D239-Y262 HydrophobicContact CB-CE1 4Å; D239-Y262 HydrophobicContact CB-CG 4.39Å; D239-Y262 CarbonylContact O-C 3.59Å; D239-Y262 WeakPolarHBondContact O-CA 3.4Å; L241-Y262 HydrophobicContact CB-CD1 3.99Å; L259-Y262 HydrophobicContact CB-CD2 3.61Å; L259-Y262 HydrophobicContact CB-CE2 4.19Å; L259-Y262 HydrophobicContact CB-CG 3.92Å; L259-Y262 HydrophobicContact CD2-CD2 4.43Å; L259-Y262 HydrophobicContact CD2-CE2 4.13Å; L259-Y262 HydrophobicContact CG-CD2 4.46Å; L259-Y262 WeakPolarHBondContact O-CB 3.44Å; L259-Y262 PolarHBondContact O-N 2.9Å; T260-Y262 VanDerWaalsContact C-N 3.27Å; T260-Y262 PolarHBondContact O-N 3.2Å; Y262-L264 PolarHBondContact O-N 2.99Å |
| 263 | T | 96.7 | Very high | 95.6 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 34% | 0.337 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 102.4 | 156.3 | -62.3 | 0 | 0 | 0 | 0 | 108.1 | V238 D239 Y240 L241 L265 | V238-T263 WeakPolarHBondContact CG1-OG1 3.41Å; D239-T263 PolarHBondContact O-N 3.49Å; Y240-T263 WeakPolarHBondContact CA-O 3.49Å; Y240-T263 HydrophobicContact CD1-CG2 3.94Å; Y240-T263 HydrophobicContact CE1-CG2 4.07Å; L241-T263 PolarHBondContact N-O 3.36Å; L241-T263 VanDerWaalsContact N-O 3.13Å; T263-L265 HydrophobicContact CG2-CD2 3.87Å; T263-L265 HydrophobicContact CG2-CG 4.34Å |
| 264 | L | 97.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.6 | 173.8 | -60.8 | -176.6 | 0 | 0 | 0 | 110 | L241 F256 Y262 P266 | L241-L264 HydrophobicContact CB-CD2 4.09Å; L241-L264 HydrophobicContact CD2-CD2 4.13Å; F256-L264 HydrophobicContact CB-CD1 4Å; F256-L264 HydrophobicContact CB-CD2 4.47Å; Y262-L264 PolarHBondContact O-N 2.99Å; L264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 265 | L | 98 | Very high | 95.2 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 91.2 | -178.6 | -63.7 | -179.8 | 0 | 0 | 0 | 110 | A55 K59 V60 Y240 L241 L242 H243 T263 T267 | A55-L265 HydrophobicContact CB-CD1 4.45Å; K59-L265 HydrophobicContact CB-CD1 3.93Å; K59-L265 HydrophobicContact CB-CD2 4.06Å; K59-L265 HydrophobicContact CG-CD2 4.24Å; V60-L265 HydrophobicContact CG2-CD1 3.74Å; Y240-L265 HydrophobicContact CD1-CD1 3.95Å; Y240-L265 HydrophobicContact CD1-CG 4.46Å; L241-L265 PolarHBondContact O-N 2.83Å; L242-L265 WeakPolarHBondContact CA-O 3.37Å; L242-L265 HydrophobicContact CD1-CB 4.34Å; L242-L265 HydrophobicContact CD1-CD1 3.83Å; L242-L265 HydrophobicContact CG-CB 4.07Å; L242-L265 HydrophobicContact CG-CD1 4.33Å; H243-L265 PolarHBondContact N-O 3.22Å; T263-L265 HydrophobicContact CG2-CD2 3.87Å; T263-L265 HydrophobicContact CG2-CG 4.34Å; L265-T267 PolarHBondContact O-N 3.32Å; L265-T267 VanDerWaalsContact O-N 3.12Å; L265-T267 PolarHBondContact O-OG1 2.84Å |
| 266 | P | 98.1 | Very high | 94.9 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 117.9 | 177.9 | -23.6 | 33.7 | 0 | 0 | 0 | 110.9 | H243 P245 L264 | H243-P266 CarbonylContact O-C 3.57Å; H243-P266 WeakPolarHBondContact O-CA 3.41Å; P245-P266 HydrophobicContact CB-CB 3.82Å; L264-P266 WeakPolarHBondContact O-CD 3.33Å |
| 267 | T | 98.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | trans | -135.4 | 113.2 | -174.1 | -54.3 | 0 | 0 | 0 | 0 | 109 | L52 L242 H243 P245 L265 L279 | L52-T267 HydrophobicContact CB-CG2 3.74Å; L52-T267 HydrophobicContact CD1-CG2 4.23Å; L52-T267 HydrophobicContact CG-CG2 4.17Å; L242-T267 HydrophobicContact CD2-CG2 4.47Å; H243-T267 PolarHBondContact O-N 3.15Å; P245-T267 WeakPolarHBondContact CD-O 3.44Å; L265-T267 PolarHBondContact O-N 3.32Å; L265-T267 VanDerWaalsContact O-N 3.12Å; L265-T267 PolarHBondContact O-OG1 2.84Å; T267-L279 HydrophobicContact CG2-CD2 3.71Å; T267-L279 WeakPolarHBondContact O-CD2 3.15Å | ||
| 268 | A | 97.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | trans | -78.4 | 138 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q48 P245 E248 | Q48-A268 WeakPolarHBondContact CB-O 3.5Å; Q48-A268 HydrophobicContact CG-CB 3.93Å; P245-A268 HydrophobicContact CG-CB 4.03Å; E248-A268 WeakPolarHBondContact OE1-CA 3.16Å; E248-A268 WeakPolarHBondContact OE1-CB 3.42Å | ||
| 269 | C | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | trans | -140 | 20.7 | 171.1 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | E248 E271 A272 S273 L279 F282 | E248-C269 PolarHBondContact OE1-N 3.47Å; E248-C269 PolarHBondContact OE2-N 3.21Å; E248-C269 VanDerWaalsContact OE2-N 3.15Å; C269-E271 PolarHBondContact O-N 2.87Å; C269-A272 PolarHBondContact O-N 3Å; C269-S273 PolarHBondContact O-N 2.78Å; C269-S273 PolarHBondContact O-OG 3.3Å; C269-L279 HydrophobicContact CB-CD2 3.9Å; C269-F282 HydrophobicContact CB-CE2 3.9Å; C269-F282 HydrophobicContact CB-CZ 4.49Å | ||
| 270 | S | 96.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -48.9 | -36.5 | -174.8 | 69.6 | 0 | 0 | 0 | 0 | 115.1 | K44 Q48 E248 S273 K274 | K44-S270 VanDerWaalsContact CE-OG 3.31Å; K44-S270 WeakPolarHBondContact CE-OG 3.41Å; K44-S270 PolarHBondContact NZ-OG 2.71Å; Q48-S270 PolarHBondContact NE2-OG 3.12Å; E248-S270 WeakPolarHBondContact OE1-CB 3.45Å; E248-S270 PolarHBondContact OE1-N 2.97Å; S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-N 2.96Å; S270-K274 PolarHBondContact O-N 3.03Å |
| 271 | E | 96.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | -178.5 | -63 | -54.9 | 120 | 0 | 0 | 111.6 | F22 M40 D41 K44 A45 C269 S273 K274 | F22-E271 HydrophobicContact CE1-CB 4.37Å; M40-E271 WeakPolarHBondContact CE-O 3.47Å; D41-E271 PolarHBondContact N-OE2 2.72Å; K44-E271 HydrophobicContact CB-CG 3.94Å; K44-E271 HydrophobicContact CD-CG 3.83Å; K44-E271 WeakPolarHBondContact CD-OE1 3.1Å; K44-E271 WeakPolarHBondContact CE-OE1 3.4Å; K44-E271 HydrophobicContact CG-CG 3.69Å; K44-E271 IonicContact NZ-OE1 2.74Å; K44-E271 PolarHBondContact NZ-OE1 2.86Å; A45-E271 HydrophobicContact CB-CB 3.77Å; A45-E271 HydrophobicContact CB-CG 4.27Å; C269-E271 PolarHBondContact O-N 2.87Å; E271-S273 VanDerWaalsContact C-N 3.33Å; E271-K274 VanDerWaalsContact CD-NZ 3.28Å; E271-K274 WeakPolarHBondContact O-CB 3.42Å; E271-K274 PolarHBondContact O-N 3.4Å; E271-K274 IonicContact OE1-NZ 2.86Å; E271-K274 PolarHBondContact OE1-NZ 2.78Å; E271-K274 VanDerWaalsContact OE1-NZ 3.12Å; E271-K274 WeakPolarHBondContact OE2-CE 3.38Å; E271-K274 IonicContact OE2-NZ 3.12Å; E271-K274 PolarHBondContact OE2-NZ 2.67Å |
| 272 | A | 94.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.4 | -32.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W77 C269 K274 L275 G276 G277 F282 | W77-A272 HydrophobicContact CE3-CB 4.39Å; W77-A272 HydrophobicContact CH2-CB 3.55Å; W77-A272 HydrophobicContact CZ2-CB 4.48Å; W77-A272 HydrophobicContact CZ3-CB 3.51Å; C269-A272 PolarHBondContact O-N 3Å; A272-K274 PolarHBondContact O-N 3.11Å; A272-L275 PolarHBondContact O-N 2.74Å; A272-G276 PolarHBondContact O-N 3.2Å; A272-G277 PolarHBondContact O-N 2.96Å; A272-F282 HydrophobicContact CB-CE1 4.23Å; A272-F282 HydrophobicContact CB-CE2 3.94Å; A272-F282 HydrophobicContact CB-CZ 3.33Å |
| 273 | S | 94.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 31% | 0.308 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.6 | -32.4 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | C269 S270 E271 L275 G276 G277 | C269-S273 PolarHBondContact O-N 2.78Å; C269-S273 PolarHBondContact O-OG 3.3Å; S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-N 2.96Å; E271-S273 VanDerWaalsContact C-N 3.33Å; S273-L275 PolarHBondContact O-N 3.03Å; S273-G276 PolarHBondContact O-N 3.14Å; S273-G277 WeakPolarHBondContact CA-O 3.44Å |
| 274 | K | 93.6 | Very high | 96.4 | Very high | 87 Ų | 87 | 23.3 Ų | 23.3 | 38% | 0.378 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.9 | 172.6 | -67.2 | 167.2 | 173.6 | -178.1 | 0 | 113.2 | T38 T39 M40 S270 E271 A272 | T38-K274 HydrophobicContact CG2-CB 4Å; T38-K274 HydrophobicContact CG2-CD 3.69Å; T38-K274 HydrophobicContact CG2-CG 3.78Å; T39-K274 PolarHBondContact O-NZ 3.27Å; M40-K274 HydrophobicContact CE-CB 4.3Å; M40-K274 HydrophobicContact CE-CD 4.45Å; M40-K274 HydrophobicContact SD-CB 3.75Å; M40-K274 HydrophobicContact SD-CD 3.71Å; M40-K274 HydrophobicContact SD-CG 4.41Å; S270-K274 PolarHBondContact O-N 3.03Å; E271-K274 VanDerWaalsContact CD-NZ 3.28Å; E271-K274 WeakPolarHBondContact O-CB 3.42Å; E271-K274 PolarHBondContact O-N 3.4Å; E271-K274 IonicContact OE1-NZ 2.86Å; E271-K274 PolarHBondContact OE1-NZ 2.78Å; E271-K274 VanDerWaalsContact OE1-NZ 3.12Å; E271-K274 WeakPolarHBondContact OE2-CE 3.38Å; E271-K274 IonicContact OE2-NZ 3.12Å; E271-K274 PolarHBondContact OE2-NZ 2.67Å; A272-K274 PolarHBondContact O-N 3.11Å |
| 275 | L | 92.1 | Very high | 96.4 | Very high | 55 Ų | 55 | 22.3 Ų | 22.3 | 29% | 0.288 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -1 | 176.5 | -59 | 173.2 | 0 | 0 | 0 | 111.9 | F22 M40 W77 R78 A272 S273 | F22-L275 HydrophobicContact CD2-CD1 4.31Å; F22-L275 HydrophobicContact CE1-CD1 4.35Å; F22-L275 HydrophobicContact CE2-CD1 3.85Å; F22-L275 HydrophobicContact CZ-CD1 3.86Å; M40-L275 HydrophobicContact CE-CD1 3.55Å; M40-L275 HydrophobicContact CE-CD2 4.06Å; M40-L275 HydrophobicContact CE-CG 3.55Å; M40-L275 HydrophobicContact SD-CD2 4.13Å; M40-L275 HydrophobicContact SD-CG 4.18Å; W77-L275 HydrophobicContact CZ2-CB 4.13Å; W77-L275 HydrophobicContact CZ2-CD1 3.78Å; R78-L275 VanDerWaalsContact NH2-CB 3.29Å; R78-L275 PolarHBondContact NH2-O 2.72Å; A272-L275 PolarHBondContact O-N 2.74Å; S273-L275 PolarHBondContact O-N 3.03Å |
| 276 | G | 90.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 26.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R78 A272 S273 | R78-G276 PolarHBondContact NH1-O 2.88Å; A272-G276 PolarHBondContact O-N 3.2Å; S273-G276 PolarHBondContact O-N 3.14Å |
| 277 | G | 94.1 | Very high | 96 | Very high | 5 Ų | 5 | 20.4 Ų | 20.4 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | trans | -90.6 | 168.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A272 S273 | A272-G277 PolarHBondContact O-N 2.96Å; S273-G277 WeakPolarHBondContact CA-O 3.44Å | ||
| 278 | S | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 7% | 0.07 | 14% | 0.139 | C | C | . | . | trans | -147.9 | -177.2 | 179 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | N228 T280 S281 F282 | N228-S278 PolarHBondContact ND2-OG 3.22Å; N228-S278 WeakPolarHBondContact OD1-CB 3.32Å; N228-S278 PolarHBondContact OD1-OG 3.31Å; S278-T280 VanDerWaalsContact C-N 3.33Å; S278-T280 PolarHBondContact O-N 3.23Å; S278-S281 PolarHBondContact N-OG 3.46Å; S278-S281 WeakPolarHBondContact O-CB 3.37Å; S278-S281 PolarHBondContact O-N 3.43Å; S278-S281 PolarHBondContact O-OG 2.9Å; S278-F282 WeakPolarHBondContact O-CD2 3.25Å; S278-F282 WeakPolarHBondContact O-CE2 3.32Å | ||
| 279 | L | 98.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -58.3 | -42 | -176.2 | -69.8 | 177.4 | 0 | 0 | 0 | 113.3 | L52 N228 V230 P244 T267 C269 S281 | L52-L279 HydrophobicContact CD1-CD2 4.13Å; N228-L279 PolarHBondContact OD1-N 2.91Å; V230-L279 HydrophobicContact CG2-CB 4.09Å; P244-L279 HydrophobicContact CG-CD1 4.28Å; T267-L279 HydrophobicContact CG2-CD2 3.71Å; T267-L279 WeakPolarHBondContact O-CD2 3.15Å; C269-L279 HydrophobicContact CB-CD2 3.9Å; L279-S281 PolarHBondContact O-N 3.25Å |
| 280 | T | 98.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -63.8 | -26.7 | 178.5 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | E80 N228 C229 V230 S278 F282 C283 | E80-T280 WeakPolarHBondContact CB-O 3.43Å; E80-T280 VanDerWaalsContact CD-OG1 3.27Å; E80-T280 WeakPolarHBondContact OE1-CB 3.39Å; E80-T280 PolarHBondContact OE1-OG1 3.29Å; E80-T280 VanDerWaalsContact OE2-C 3.31Å; E80-T280 WeakPolarHBondContact OE2-CB 3.38Å; E80-T280 PolarHBondContact OE2-OG1 2.91Å; N228-T280 WeakPolarHBondContact ND2-CG2 3.5Å; N228-T280 PolarHBondContact ND2-OG1 3.42Å; N228-T280 WeakPolarHBondContact OD1-CG2 3.26Å; N228-T280 PolarHBondContact OD1-N 2.92Å; N228-T280 PolarHBondContact OD1-OG1 3Å; C229-T280 WeakPolarHBondContact O-CG2 3.38Å; V230-T280 HydrophobicContact CG2-CG2 3.97Å; S278-T280 VanDerWaalsContact C-N 3.33Å; S278-T280 PolarHBondContact O-N 3.23Å; T280-F282 PolarHBondContact O-N 3.4Å; T280-C283 PolarHBondContact O-N 2.89Å |
| 281 | S | 98.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -59.2 | -25.4 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 114 | R78 I79 E80 S278 L279 | R78-S281 CarbonylContact C-O 3.39Å; R78-S281 WeakPolarHBondContact CA-O 3.21Å; I79-S281 PolarHBondContact N-O 3.08Å; I79-S281 VanDerWaalsContact N-O 3.08Å; E80-S281 PolarHBondContact N-O 3.01Å; E80-S281 PolarHBondContact OE2-N 3.36Å; S278-S281 PolarHBondContact N-OG 3.46Å; S278-S281 WeakPolarHBondContact O-CB 3.37Å; S278-S281 PolarHBondContact O-N 3.43Å; S278-S281 PolarHBondContact O-OG 2.9Å; L279-S281 PolarHBondContact O-N 3.25Å |
| 282 | F | 98.5 | Very high | 86.7 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -89.4 | -7.6 | -171.5 | -63.7 | -79.9 | 0 | 0 | 0 | 115 | V15 I18 F49 L52 W77 I79 C269 A272 S278 T280 | V15-F282 WeakPolarHBondContact CG1-O 3.37Å; I18-F282 HydrophobicContact CD1-CD1 4.35Å; I18-F282 HydrophobicContact CD1-CE1 3.79Å; F49-F282 AromaticContact CD2-CD1 3.81Å; F49-F282 HydrophobicContact CD2-CD1 3.81Å; F49-F282 HydrophobicContact CD2-CE1 4.39Å; F49-F282 HydrophobicContact CD2-CG 4.44Å; F49-F282 HydrophobicContact CE2-CD1 4.35Å; L52-F282 HydrophobicContact CD1-CB 3.88Å; L52-F282 HydrophobicContact CD1-CD2 3.71Å; L52-F282 HydrophobicContact CD1-CG 4.04Å; L52-F282 HydrophobicContact CD2-CB 4.04Å; W77-F282 HydrophobicContact CE3-CD1 4Å; W77-F282 AromaticContact CE3-CE1 3.57Å; W77-F282 HydrophobicContact CE3-CE1 3.57Å; W77-F282 HydrophobicContact CE3-CZ 4.12Å; W77-F282 AromaticContact CZ3-CE1 3.99Å; W77-F282 HydrophobicContact CZ3-CE1 3.99Å; W77-F282 HydrophobicContact CZ3-CZ 4.05Å; I79-F282 VanDerWaalsContact CG2-C 3.42Å; I79-F282 WeakPolarHBondContact CG2-O 3.3Å; C269-F282 HydrophobicContact CB-CE2 3.9Å; C269-F282 HydrophobicContact CB-CZ 4.49Å; A272-F282 HydrophobicContact CB-CE1 4.23Å; A272-F282 HydrophobicContact CB-CE2 3.94Å; A272-F282 HydrophobicContact CB-CZ 3.33Å; S278-F282 WeakPolarHBondContact O-CD2 3.25Å; S278-F282 WeakPolarHBondContact O-CE2 3.32Å; T280-F282 PolarHBondContact O-N 3.4Å |
| 283 | C | 98.2 | Very high | 86.3 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146 | -173.7 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | V14 V15 L56 T280 | V14-C283 CarbonylContact O-C 3.17Å; V14-C283 VanDerWaalsContact O-CA 3.32Å; V14-C283 WeakPolarHBondContact O-CA 3.45Å; V15-C283 HydrophobicContact CG1-CB 3.92Å; L56-C283 HydrophobicContact CD1-CB 4.1Å; T280-C283 PolarHBondContact O-N 2.89Å |
| 284 | L | 98.6 | Very high | 85.9 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.9 | 163.4 | -64.6 | 169.9 | 0 | 0 | 0 | 107.9 | A13 V14 I79 A83 I85 V107 M111 | A13-L284 CarbonylContact C-O 3.53Å; A13-L284 WeakPolarHBondContact CA-O 3.48Å; V14-L284 HydrophobicContact CB-CB 4.26Å; V14-L284 PolarHBondContact N-O 2.79Å; V14-L284 PolarHBondContact O-N 3Å; I79-L284 HydrophobicContact CD1-CD1 3.89Å; I79-L284 HydrophobicContact CD1-CG 4.33Å; I79-L284 HydrophobicContact CG1-CD1 3.76Å; I79-L284 HydrophobicContact CG1-CG 4.13Å; I79-L284 HydrophobicContact CG2-CG 4.3Å; A83-L284 HydrophobicContact CB-CD1 3.78Å; A83-L284 HydrophobicContact CB-CD2 4.06Å; A83-L284 VanDerWaalsContact O-CD2 3.27Å; A83-L284 WeakPolarHBondContact O-CD2 3.13Å; I85-L284 HydrophobicContact CD1-CB 3.92Å; I85-L284 HydrophobicContact CD1-CD1 4.36Å; V107-L284 HydrophobicContact CG1-CD1 3.63Å; M111-L284 HydrophobicContact CE-CD1 3.64Å |
| 285 | L | 97.8 | Very high | 85.4 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.1 | -177.6 | -61.2 | 177.8 | 0 | 0 | 0 | 110.7 | F10 A13 L62 V230 V232 | F10-L285 HydrophobicContact CB-CB 4.38Å; F10-L285 HydrophobicContact CD1-CB 3.5Å; F10-L285 HydrophobicContact CD2-CB 3.93Å; F10-L285 HydrophobicContact CD2-CD1 3.73Å; F10-L285 HydrophobicContact CD2-CG 4.34Å; F10-L285 HydrophobicContact CE1-CB 3.59Å; F10-L285 HydrophobicContact CE2-CB 4.01Å; F10-L285 HydrophobicContact CE2-CD1 3.54Å; F10-L285 HydrophobicContact CE2-CG 4.41Å; F10-L285 HydrophobicContact CG-CB 3.67Å; F10-L285 HydrophobicContact CG-CD1 4.33Å; F10-L285 HydrophobicContact CG-CG 4.47Å; F10-L285 HydrophobicContact CZ-CB 3.85Å; F10-L285 HydrophobicContact CZ-CD1 4Å; A13-L285 HydrophobicContact CB-CD2 3.81Å; L62-L285 HydrophobicContact CD1-CD2 3.84Å; V230-L285 HydrophobicContact CG1-CD1 3.69Å; V232-L285 HydrophobicContact CG2-CD1 4.35Å |
| 286 | I | 96.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.6 | -170.8 | -54.1 | 173.8 | 0 | 0 | 0 | 110.2 | T11 H12 V14 I85 M111 L114 L116 | T11-I286 PolarHBondContact N-O 3.34Å; T11-I286 PolarHBondContact OG1-O 3.22Å; H12-I286 HydrophobicContact CB-CB 4.28Å; H12-I286 PolarHBondContact N-O 3.37Å; H12-I286 VanDerWaalsContact N-O 3.15Å; H12-I286 PolarHBondContact O-N 3.08Å; V14-I286 HydrophobicContact CG2-CD1 3.66Å; I85-I286 HydrophobicContact CD1-CD1 3.94Å; I85-I286 HydrophobicContact CD1-CG1 3.68Å; I85-I286 HydrophobicContact CG2-CG1 4.39Å; M111-I286 HydrophobicContact CE-CD1 4.2Å; M111-I286 HydrophobicContact SD-CD1 3.91Å; L114-I286 HydrophobicContact CD1-CD1 3.47Å; L114-I286 VanDerWaalsContact CD1-CD1 3.47Å; L116-I286 HydrophobicContact CD1-CD1 4.25Å; L116-I286 HydrophobicContact CD1-CG2 4.31Å; L116-I286 HydrophobicContact CD2-CG2 4.39Å |
| 287 | N | 91.6 | Very high | 84.7 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | trans | -103.9 | 86.7 | 173.4 | -169 | 11.6 | 0 | 0 | 0 | 110.8 | R9 F10 K289 | R9-N287 WeakPolarHBondContact O-CB 3.44Å; R9-N287 PolarHBondContact O-ND2 2.88Å; F10-N287 HydrophobicContact CD1-CB 4.41Å; N287-K289 PolarHBondContact O-N 2.99Å | ||
| 288 | R | 81.4 | Confident | 84.1 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 121.2 | 176.1 | -169.4 | 176.2 | 175.4 | 175.4 | 5.2 | 109.1 | T11 | T11-R288 PolarHBondContact OG1-N 3.19Š|
| 289 | K | 69 | Low | 83.2 | Confident | 147 Ų | 147 | 63.8 Ų | 63.8 | 64% | 0.639 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 138.7 | 166.8 | -68.4 | -178.1 | -176.9 | 170.7 | 0 | 108.6 | N287 Y291 | N287-K289 PolarHBondContact O-N 2.99Å; K289-Y291 PolarHBondContact O-N 3.05Å |
| 290 | P | 54.7 | Low | 82 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 125.9 | 167.8 | -15.4 | 27.3 | 0 | 0 | 0 | 108 | Y292 | P290-Y292 HydrophobicContact CB-CD2 4.29Å; P290-Y292 HydrophobicContact CB-CE2 3.95Å; P290-Y292 HydrophobicContact CG-CE2 4.22Å; P290-Y292 PolarHBondContact O-N 2.72Å |
| 291 | Y | 48.3 | Very low | 80.7 | Confident | 159 Ų | 159 | 73.1 Ų | 73.1 | 62% | 0.624 | 32% | 0.324 | S | S | * | . | trans | -69.2 | 108.7 | 164.9 | -73.6 | -87.2 | 0 | 0 | 0 | 105.9 | K289 | K289-Y291 PolarHBondContact O-N 3.05Š| ||
| 292 | Y | 35.5 | Very low | 79.1 | Confident | 279 Ų | 279 | 79.5 Ų | 79.5 | 100% | 1.094 | 35% | 0.352 | S | S | * | . | trans | -89.7 | 0 | 168.3 | -74.5 | -77.2 | 0 | 0 | 0 | 109.6 | P290 | P290-Y292 HydrophobicContact CB-CD2 4.29Å; P290-Y292 HydrophobicContact CB-CE2 3.95Å; P290-Y292 HydrophobicContact CG-CE2 4.22Å; P290-Y292 PolarHBondContact O-N 2.72Å |
Retrieved 292 of 292 residues in 90.7 ms
(Link to these results)