| 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 | 41.7 | Very low | 52 | Low | 247 Ų | 247 | 127 Ų | 127 | 100% | 1.217 | 78% | 0.776 | S | S | * | * | 0 | 92.2 | 0 | -72.2 | 172.7 | 174 | 0 | 0 | 107.8 | |||||
| 2 | S | 41.4 | Very low | 55 | Low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -97.8 | 103.9 | 176.7 | 42 | 0 | 0 | 0 | 0 | 108.1 | G4 | S2-G4 PolarHBondContact O-N 2.76Å; S2-G4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | T | 41.1 | Very low | 57.9 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -64.3 | 103.8 | 166 | 46.4 | 0 | 0 | 0 | 0 | 107.7 | G5 | T3-G5 VanDerWaalsContact C-N 3.27Å; T3-G5 PolarHBondContact O-N 3.14Å | ||
| 4 | G | 38.7 | Very low | 60.5 | Low | 79 Ų | 79 | 118.9 Ų | 118.9 | 81% | 0.814 | 69% | 0.688 | S | S | * | * | trans | -65.1 | 93 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | S2 D6 | S2-G4 PolarHBondContact O-N 2.76Å; S2-G4 VanDerWaalsContact O-N 3.11Å; G4-D6 PolarHBondContact O-N 3.1Å | ||
| 5 | G | 40.8 | Very low | 62.9 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | trans | -61.9 | 117.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107 | T3 F7 | T3-G5 VanDerWaalsContact C-N 3.27Å; T3-G5 PolarHBondContact O-N 3.14Å; G5-F7 VanDerWaalsContact C-N 3.28Å; G5-F7 VanDerWaalsContact O-CD2 3.24Å; G5-F7 WeakPolarHBondContact O-CD2 3.37Å; G5-F7 PolarHBondContact O-N 2.77Å | ||
| 6 | D | 48.1 | Very low | 65.1 | Low | 161 Ų | 161 | 107.4 Ų | 107.4 | 86% | 0.861 | 62% | 0.616 | S | S | * | * | trans | -56.7 | 95.4 | 170.3 | -164.3 | 14.1 | 0 | 0 | 0 | 107.2 | G4 G8 | G4-D6 PolarHBondContact O-N 3.1Å; D6-G8 PolarHBondContact O-N 3.4Å | ||
| 7 | F | 51.7 | Low | 67.1 | Low | 194 Ų | 194 | 101.1 Ų | 101.1 | 85% | 0.851 | 58% | 0.58 | S | S | * | * | trans | -70.4 | 78.9 | 173.8 | -78.1 | -85.1 | 0 | 0 | 0 | 106.2 | G5 N9 | G5-F7 VanDerWaalsContact C-N 3.28Å; G5-F7 VanDerWaalsContact O-CD2 3.24Å; G5-F7 WeakPolarHBondContact O-CD2 3.37Å; G5-F7 PolarHBondContact O-N 2.77Å; F7-N9 PolarHBondContact O-N 3.36Å; F7-N9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | G | 55.1 | Low | 68.8 | Low | 57 Ų | 57 | 95.4 Ų | 95.4 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | trans | -47 | 122.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108 | D6 P10 | D6-G8 PolarHBondContact O-N 3.4Å; G8-P10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | N | 59.2 | Low | 70.4 | Confident | 155 Ų | 155 | 90.4 Ų | 90.4 | 83% | 0.829 | 52% | 0.519 | S | S | * | . | trans | -43.3 | 123.9 | -173.5 | -105.9 | -36.2 | 0 | 0 | 0 | 110.1 | F7 L11 | F7-N9 PolarHBondContact O-N 3.36Å; F7-N9 VanDerWaalsContact O-N 3.08Å; N9-L11 PolarHBondContact O-N 2.85Å; N9-L11 VanDerWaalsContact O-N 3.11Å | ||
| 10 | P | 73.3 | Confident | 71.7 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 123.5 | -174 | 19.4 | -29.6 | 0 | 0 | 0 | 109.9 | G8 R12 | G8-P10 VanDerWaalsContact O-N 3.15Å; P10-R12 PolarHBondContact O-N 3.47Å |
| 11 | L | 80.5 | Confident | 73 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 124.7 | 178.7 | -71.3 | 170.9 | 0 | 0 | 0 | 110 | N9 K13 T61 | N9-L11 PolarHBondContact O-N 2.85Å; N9-L11 VanDerWaalsContact O-N 3.11Å; L11-K13 PolarHBondContact O-N 3.32Å; L11-T61 HydrophobicContact CD2-CG2 3.64Å; L11-T61 WeakPolarHBondContact CD2-O 3.48Å |
| 12 | R | 88.5 | Confident | 75.6 | Confident | 127 Ų | 127 | 76.2 Ų | 76.2 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 127.5 | 176 | -67.7 | -172.5 | 84.8 | -161.1 | 3.8 | 109.1 | P10 F14 R63 P175 | P10-R12 PolarHBondContact O-N 3.47Å; R12-F14 HydrophobicContact CB-CE2 3.9Å; R12-F14 HydrophobicContact CB-CZ 4.31Å; R12-R63 PolarHBondContact O-N 2.85Å; R12-P175 PolarHBondContact NH1-O 2.92Å |
| 13 | K | 92.3 | Very high | 78.1 | Confident | 132 Ų | 132 | 72.7 Ų | 72.7 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.1 | -178.7 | -61.7 | 174.8 | -173.3 | 170.8 | 0 | 109.2 | L11 R63 | L11-K13 PolarHBondContact O-N 3.32Å; K13-R63 VanDerWaalsContact CA-O 3.31Å; K13-R63 WeakPolarHBondContact CA-O 3.46Å; K13-R63 HydrophobicContact CG-CB 4.26Å |
| 14 | F | 95.1 | Very high | 80.9 | Confident | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.3 | 175.4 | -64.2 | -80.2 | 0 | 0 | 0 | 109.8 | R12 L16 V62 R63 L64 Q65 T87 L174 | R12-F14 HydrophobicContact CB-CE2 3.9Å; R12-F14 HydrophobicContact CB-CZ 4.31Å; F14-L16 HydrophobicContact CB-CD1 4.31Å; F14-V62 HydrophobicContact CD2-CB 4.15Å; F14-V62 HydrophobicContact CD2-CG1 4.28Å; F14-V62 HydrophobicContact CE2-CB 4.23Å; F14-V62 HydrophobicContact CE2-CG1 3.86Å; F14-R63 PolarHBondContact N-O 3.39Å; F14-L64 HydrophobicContact CB-CD2 4.25Å; F14-Q65 PolarHBondContact O-N 3.47Å; F14-T87 HydrophobicContact CD1-CG2 4.16Å; F14-L174 HydrophobicContact CB-CD1 4.05Å; F14-L174 HydrophobicContact CB-CD2 4.16Å; F14-L174 HydrophobicContact CD1-CB 4.41Å; F14-L174 HydrophobicContact CD1-CD1 4.09Å; F14-L174 HydrophobicContact CD1-CD2 3.62Å; F14-L174 HydrophobicContact CD1-CG 4.25Å; F14-L174 HydrophobicContact CD2-CD1 3.65Å; F14-L174 HydrophobicContact CE1-CB 4.08Å; F14-L174 HydrophobicContact CE1-CD1 4.42Å; F14-L174 HydrophobicContact CE1-CD2 4.1Å; F14-L174 HydrophobicContact CE1-CG 4.42Å; F14-L174 HydrophobicContact CE2-CD1 4.02Å; F14-L174 HydrophobicContact CG-CD1 3.66Å; F14-L174 HydrophobicContact CG-CD2 3.91Å; F14-L174 HydrophobicContact CG-CG 4.31Å; F14-L174 HydrophobicContact CZ-CB 4.13Å; F14-L174 HydrophobicContact CZ-CD1 4.37Å |
| 15 | K | 96.4 | Very high | 83.7 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.9 | 179.5 | -73.7 | 174.5 | 173.1 | -178.9 | 0 | 109.5 | Q65 D85 T87 V88 | K15-Q65 CarbonylContact C-O 3.58Å; K15-Q65 WeakPolarHBondContact CA-O 3.32Å; K15-Q65 HydrophobicContact CG-CB 3.99Å; K15-D85 HydrophobicContact CD-CB 4.04Å; K15-D85 WeakPolarHBondContact CD-O 3.11Å; K15-D85 IonicContact NZ-OD2 2.71Å; K15-D85 PolarHBondContact NZ-OD2 3.19Å; K15-T87 PolarHBondContact O-N 3.24Å; K15-V88 PolarHBondContact O-N 3.25Å; K15-V88 VanDerWaalsContact O-N 3.15Å |
| 16 | L | 98 | Very high | 86.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.1 | 175.5 | -76.9 | 59.9 | 0 | 0 | 0 | 107.4 | F14 F18 L64 Q65 L66 W67 V88 F167 V170 | F14-L16 HydrophobicContact CB-CD1 4.31Å; L16-F18 HydrophobicContact CB-CE2 4.16Å; L16-L64 HydrophobicContact CD1-CD2 4.03Å; L16-L64 HydrophobicContact CD2-CD1 4.37Å; L16-Q65 PolarHBondContact N-O 3.23Å; L16-L66 HydrophobicContact CB-CD2 3.99Å; L16-L66 HydrophobicContact CD2-CD2 3.73Å; L16-L66 HydrophobicContact CG-CD2 4.36Å; L16-W67 PolarHBondContact O-N 3.4Å; L16-V88 WeakPolarHBondContact CA-O 3.47Å; L16-V88 HydrophobicContact CD1-CB 4.22Å; L16-V88 HydrophobicContact CD1-CG2 4.17Å; L16-V88 HydrophobicContact CG-CB 3.84Å; L16-V88 HydrophobicContact CG-CG1 4.18Å; L16-V88 HydrophobicContact CG-CG2 4.25Å; L16-F167 HydrophobicContact CD2-CD1 4.12Å; L16-F167 HydrophobicContact CD2-CE1 4.02Å; L16-V170 HydrophobicContact CD2-CG1 3.9Å; L16-V170 HydrophobicContact CG-CG1 4.25Å |
| 17 | V | 98 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.2 | 171.1 | 64 | 0 | 0 | 0 | 0 | 110.2 | L19 W67 T69 I83 S86 V88 A89 V90 | V17-L19 HydrophobicContact CG1-CD1 4.31Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; V17-L19 HydrophobicContact CG2-CD2 3.8Å; V17-L19 HydrophobicContact CG2-CG 4.15Å; V17-W67 HydrophobicContact CB-CB 4.38Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; V17-T69 HydrophobicContact CG2-CG2 3.64Å; V17-I83 HydrophobicContact CG1-CG1 4.38Å; V17-S86 WeakPolarHBondContact CB-OG 3.47Å; V17-V88 PolarHBondContact N-O 2.95Å; V17-A89 HydrophobicContact CG1-CB 4.09Å; V17-V90 PolarHBondContact O-N 3.3Å |
| 18 | F | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.6 | 176.5 | -75.2 | -107.8 | 0 | 0 | 0 | 109.2 | L16 K26 I30 L66 W67 T69 V90 V92 F167 | L16-F18 HydrophobicContact CB-CE2 4.16Å; F18-K26 HydrophobicContact CB-CB 4.17Å; F18-K26 HydrophobicContact CB-CD 4.3Å; F18-K26 HydrophobicContact CB-CG 4.48Å; F18-I30 HydrophobicContact CB-CD1 4.14Å; F18-I30 HydrophobicContact CD1-CD1 4.17Å; F18-I30 HydrophobicContact CD1-CG1 4.05Å; F18-I30 HydrophobicContact CD2-CD1 3.66Å; F18-I30 HydrophobicContact CD2-CG1 3.96Å; F18-I30 HydrophobicContact CE1-CG1 4Å; F18-I30 HydrophobicContact CE2-CD1 4.12Å; F18-I30 HydrophobicContact CE2-CG1 3.93Å; F18-I30 HydrophobicContact CG-CD1 3.72Å; F18-I30 HydrophobicContact CG-CG1 4.04Å; F18-I30 HydrophobicContact CZ-CG1 3.96Å; F18-L66 HydrophobicContact CE2-CB 4.5Å; F18-L66 HydrophobicContact CE2-CD2 4.21Å; F18-W67 PolarHBondContact N-O 2.92Å; F18-T69 WeakPolarHBondContact O-CB 3.24Å; F18-T69 WeakPolarHBondContact O-CG2 3.45Å; F18-T69 PolarHBondContact O-N 3.21Å; F18-T69 PolarHBondContact O-OG1 3.2Å; F18-V90 CarbonylContact C-O 3.5Å; F18-V90 WeakPolarHBondContact CA-O 3.42Å; F18-V90 HydrophobicContact CD1-CB 3.89Å; F18-V90 HydrophobicContact CD1-CG1 3.89Å; F18-V90 HydrophobicContact CE1-CB 3.91Å; F18-V90 HydrophobicContact CE1-CG1 3.73Å; F18-V90 HydrophobicContact CE1-CG2 4.15Å; F18-V90 HydrophobicContact CE2-CG2 4.27Å; F18-V90 HydrophobicContact CG-CB 4.21Å; F18-V90 HydrophobicContact CZ-CB 4.22Å; F18-V90 HydrophobicContact CZ-CG1 4.38Å; F18-V90 HydrophobicContact CZ-CG2 3.98Å; F18-V92 HydrophobicContact CD1-CG2 4.36Å; F18-F167 HydrophobicContact CE1-CZ 4.29Å; F18-F167 HydrophobicContact CE2-CE1 4.42Å; F18-F167 HydrophobicContact CE2-CZ 4.46Å; F18-F167 AromaticContact CZ-CE1 3.81Å; F18-F167 HydrophobicContact CZ-CE1 3.81Å; F18-F167 AromaticContact CZ-CZ 3.56Å; F18-F167 HydrophobicContact CZ-CZ 3.56Å |
| 19 | L | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 162 | -175.3 | -58.8 | 174.5 | 0 | 0 | 0 | 110.8 | V17 K26 T69 I79 I83 A89 V90 V91 V92 W107 V111 | V17-L19 HydrophobicContact CG1-CD1 4.31Å; V17-L19 HydrophobicContact CG1-CG 4.3Å; V17-L19 HydrophobicContact CG2-CD2 3.8Å; V17-L19 HydrophobicContact CG2-CG 4.15Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.5Å; L19-T69 HydrophobicContact CD2-CG2 3.98Å; L19-I79 HydrophobicContact CD2-CG2 3.47Å; L19-I79 VanDerWaalsContact CD2-CG2 3.47Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 4.06Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; L19-I83 HydrophobicContact CD2-CG1 4.48Å; L19-A89 HydrophobicContact CD1-CB 4.44Å; L19-V90 PolarHBondContact N-O 2.81Å; L19-V91 HydrophobicContact CB-CG2 4.4Å; L19-V92 PolarHBondContact O-N 3.41Å; L19-W107 HydrophobicContact CB-CD2 4.35Å; L19-W107 HydrophobicContact CB-CE3 4.07Å; L19-W107 HydrophobicContact CD2-CE3 4.34Å; L19-W107 HydrophobicContact CD2-CZ3 4.21Å; L19-V111 HydrophobicContact CD1-CG2 3.29Å |
| 20 | G | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | 135.2 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K26 G71 W107 | G20-K26 PolarHBondContact O-NZ 2.97Å; G20-G71 WeakPolarHBondContact O-CA 3.27Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å | ||
| 21 | E | 97.8 | Very high | 96 | Very high | 29 Ų | 29 | 34 Ų | 34 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -60.4 | 167.2 | -179.7 | -65.4 | -59.1 | 114 | 0 | 0 | 112.8 | V24 K26 R76 Q103 W107 | E21-V24 HydrophobicContact CB-CG1 3.97Å; E21-V24 VanDerWaalsContact O-CG2 3.27Å; E21-V24 WeakPolarHBondContact O-CG2 3.37Å; E21-K26 PolarHBondContact O-NZ 3.03Å; E21-R76 IonicContact OE1-CZ 2.76Å; E21-R76 IonicContact OE1-NH2 3.85Å; E21-R76 PolarHBondContact OE1-NH2 2.82Å; E21-Q103 HydrophobicContact CG-CB 3.78Å; E21-Q103 HydrophobicContact CG-CG 4Å; E21-W107 PolarHBondContact OE1-NE1 2.84Å |
| 22 | Q | 95.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 32.2 Ų | 32.2 | 47% | 0.472 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 152.4 | 171.9 | 65.2 | 178.7 | -0.1 | 0 | 0 | 111.1 | V24 G71 | Q22-V24 PolarHBondContact O-N 3.4Å; Q22-G71 PolarHBondContact N-O 3.07Å |
| 23 | S | 95.7 | Very high | 97.2 | Very high | 48 Ų | 48 | 27.4 Ų | 27.4 | 34% | 0.336 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 3.4 | 175.9 | 77.9 | 0 | 0 | 0 | 0 | 117.7 | G25 K127 | S23-G25 PolarHBondContact O-N 3.08Å; S23-K127 WeakPolarHBondContact O-CE 3.42Å; S23-K127 PolarHBondContact O-NZ 3.32Å |
| 24 | V | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -70.3 | -14.8 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | E21 Q22 K26 V92 D94 N126 | E21-V24 HydrophobicContact CB-CG1 3.97Å; E21-V24 VanDerWaalsContact O-CG2 3.27Å; E21-V24 WeakPolarHBondContact O-CG2 3.37Å; Q22-V24 PolarHBondContact O-N 3.4Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; V24-V92 HydrophobicContact CB-CG1 4.26Å; V24-V92 HydrophobicContact CG2-CB 3.87Å; V24-V92 HydrophobicContact CG2-CG1 3.87Å; V24-D94 HydrophobicContact CB-CB 4.39Å; V24-D94 HydrophobicContact CG1-CB 4.31Å; V24-N126 PolarHBondContact O-ND2 3.11Å |
| 25 | G | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 99 | 27.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S23 S28 L29 | S23-G25 PolarHBondContact O-N 3.08Å; G25-S28 PolarHBondContact O-N 3.15Å; G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 3.31Å |
| 26 | K | 97.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.4 | -57.6 | 174.5 | -58.5 | -172.7 | -62.3 | -82 | 0 | 112.1 | F18 L19 G20 E21 V24 S28 L29 I30 D68 T69 V92 | F18-K26 HydrophobicContact CB-CB 4.17Å; F18-K26 HydrophobicContact CB-CD 4.3Å; F18-K26 HydrophobicContact CB-CG 4.48Å; L19-K26 VanDerWaalsContact C-CD 3.41Å; L19-K26 WeakPolarHBondContact O-CD 3.5Å; G20-K26 PolarHBondContact O-NZ 2.97Å; E21-K26 PolarHBondContact O-NZ 3.03Å; V24-K26 HydrophobicContact CG2-CD 4.37Å; V24-K26 HydrophobicContact CG2-CG 3.72Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 2.81Å; K26-L29 WeakPolarHBondContact O-CB 3.24Å; K26-L29 PolarHBondContact O-N 3.3Å; K26-L29 VanDerWaalsContact O-N 3.16Å; K26-I30 WeakPolarHBondContact O-CG1 3.16Å; K26-I30 PolarHBondContact O-N 3.14Å; K26-D68 WeakPolarHBondContact CB-OD1 3.46Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; K26-V92 HydrophobicContact CG-CB 4.09Å; K26-V92 HydrophobicContact CG-CG2 4.07Å |
| 27 | T | 97.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -54.8 | -46.5 | 174.2 | -43.8 | 0 | 0 | 0 | 0 | 111.2 | L29 I30 T31 T45 D68 | T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.91Å; T27-I30 PolarHBondContact O-N 3.05Å; T27-I30 VanDerWaalsContact O-N 3.16Å; T27-T31 WeakPolarHBondContact O-CB 3.19Å; T27-T31 PolarHBondContact O-N 3.24Å; T27-T31 PolarHBondContact O-OG1 2.67Å; T27-T45 PolarHBondContact OG1-OG1 2.96Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.36Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D68 PolarHBondContact N-OD1 2.82Å; T27-D68 PolarHBondContact OG1-OD2 2.77Å |
| 28 | S | 98 | Very high | 97.1 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 179.9 | -49 | 0 | 0 | 0 | 0 | 113.2 | G25 K26 R32 | G25-S28 PolarHBondContact O-N 3.15Å; K26-S28 VanDerWaalsContact C-N 3.3Å; K26-S28 PolarHBondContact O-N 2.81Å; S28-R32 WeakPolarHBondContact O-CB 3.27Å; S28-R32 PolarHBondContact O-N 2.82Å |
| 29 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.7 | -75.9 | 169.7 | 0 | 0 | 0 | 111.4 | G25 K26 T27 F33 V92 V124 N126 T155 A157 V163 | G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 3.31Å; K26-L29 WeakPolarHBondContact O-CB 3.24Å; K26-L29 PolarHBondContact O-N 3.3Å; K26-L29 VanDerWaalsContact O-N 3.16Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 2.91Å; L29-F33 WeakPolarHBondContact O-CB 3.44Å; L29-F33 PolarHBondContact O-N 3.5Å; L29-V92 HydrophobicContact CD1-CG1 3.89Å; L29-V92 HydrophobicContact CD1-CG2 4.08Å; L29-V124 HydrophobicContact CD1-CG1 4.15Å; L29-N126 HydrophobicContact CD1-CB 4.36Å; L29-T155 HydrophobicContact CD2-CG2 4.42Å; L29-T155 WeakPolarHBondContact CD2-OG1 3.19Å; L29-A157 HydrophobicContact CD2-CB 3.91Å; L29-A157 HydrophobicContact CG-CB 4.13Å; L29-V163 HydrophobicContact CD2-CG2 3.77Å |
| 30 | I | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -52 | 176.7 | -65.2 | 167.8 | 0 | 0 | 0 | 109.7 | F18 K26 T27 R32 F33 M34 L51 L66 D68 | F18-I30 HydrophobicContact CB-CD1 4.14Å; F18-I30 HydrophobicContact CD1-CD1 4.17Å; F18-I30 HydrophobicContact CD1-CG1 4.05Å; F18-I30 HydrophobicContact CD2-CD1 3.66Å; F18-I30 HydrophobicContact CD2-CG1 3.96Å; F18-I30 HydrophobicContact CE1-CG1 4Å; F18-I30 HydrophobicContact CE2-CD1 4.12Å; F18-I30 HydrophobicContact CE2-CG1 3.93Å; F18-I30 HydrophobicContact CG-CD1 3.72Å; F18-I30 HydrophobicContact CG-CG1 4.04Å; F18-I30 HydrophobicContact CZ-CG1 3.96Å; K26-I30 WeakPolarHBondContact O-CG1 3.16Å; K26-I30 PolarHBondContact O-N 3.14Å; T27-I30 PolarHBondContact O-N 3.05Å; T27-I30 VanDerWaalsContact O-N 3.16Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 3.4Å; I30-F33 PolarHBondContact O-N 2.86Å; I30-F33 VanDerWaalsContact O-N 3.1Å; I30-M34 HydrophobicContact CG2-CG 3.9Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 WeakPolarHBondContact O-CG 3.38Å; I30-M34 PolarHBondContact O-N 2.99Å; I30-L51 HydrophobicContact CG2-CB 4.46Å; I30-L51 HydrophobicContact CG2-CD1 3.58Å; I30-L66 HydrophobicContact CG2-CB 4.42Å; I30-L66 HydrophobicContact CG2-CD1 3.89Å; I30-D68 HydrophobicContact CD1-CB 3.48Å; I30-D68 VanDerWaalsContact CD1-CB 3.48Å |
| 31 | T | 96.7 | Very high | 95.9 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.4 | -45.7 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | T27 F33 M34 Y35 | T27-T31 WeakPolarHBondContact O-CB 3.19Å; T27-T31 PolarHBondContact O-N 3.24Å; T27-T31 PolarHBondContact O-OG1 2.67Å; T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 3.11Å; T31-M34 PolarHBondContact O-N 3.42Å; T31-Y35 HydrophobicContact CG2-CD2 3.93Å; T31-Y35 PolarHBondContact O-N 3.27Å |
| 32 | R | 97.7 | Very high | 95.4 | Very high | 40 Ų | 40 | 56 Ų | 56 | 15% | 0.151 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176 | 174.5 | 57.6 | 71.4 | -170.5 | -0.8 | 111.8 | S28 I30 D36 S37 F38 A157 K158 V163 | S28-R32 WeakPolarHBondContact O-CB 3.27Å; S28-R32 PolarHBondContact O-N 2.82Å; I30-R32 VanDerWaalsContact C-N 3.34Å; I30-R32 PolarHBondContact O-N 3.4Å; R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 PolarHBondContact NH1-O 2.84Å; R32-D36 IonicContact NH1-OD1 3.55Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.46Å; R32-D36 PolarHBondContact O-N 3.38Å; R32-S37 VanDerWaalsContact CA-O 3.3Å; R32-S37 WeakPolarHBondContact CA-O 3.37Å; R32-S37 PolarHBondContact N-O 3.09Å; R32-F38 VanDerWaalsContact NH2-CB 3.3Å; R32-A157 PolarHBondContact NE-O 2.63Å; R32-K158 PolarHBondContact NH2-O 3.4Å; R32-V163 HydrophobicContact CB-CG1 4.31Å; R32-V163 HydrophobicContact CG-CB 4.03Å; R32-V163 HydrophobicContact CG-CG1 3.92Å; R32-V163 HydrophobicContact CG-CG2 3.82Å |
| 33 | F | 97.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 176.9 | 174.9 | -112.4 | 0 | 0 | 0 | 113.1 | L29 I30 T31 K53 M55 L64 L66 V163 F167 | L29-F33 WeakPolarHBondContact O-CB 3.44Å; L29-F33 PolarHBondContact O-N 3.5Å; I30-F33 PolarHBondContact O-N 2.86Å; I30-F33 VanDerWaalsContact O-N 3.1Å; T31-F33 VanDerWaalsContact C-N 3.34Å; T31-F33 PolarHBondContact O-N 3.11Å; F33-K53 HydrophobicContact CD1-CD 4.28Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.84Å; F33-K53 HydrophobicContact CE1-CG 4.36Å; F33-K53 HydrophobicContact CZ-CD 4.19Å; F33-K53 PolarHBondContact O-NZ 2.98Å; F33-M55 HydrophobicContact CZ-SD 4.45Å; F33-L64 HydrophobicContact CE1-CD1 4.18Å; F33-L64 HydrophobicContact CZ-CD1 4.19Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.28Å; F33-V163 HydrophobicContact CB-CG1 3.92Å; F33-F167 HydrophobicContact CB-CD2 3.79Å; F33-F167 HydrophobicContact CB-CE2 3.29Å; F33-F167 HydrophobicContact CB-CZ 3.75Å; F33-F167 AromaticContact CD1-CD1 3.89Å; F33-F167 HydrophobicContact CD1-CD1 3.89Å; F33-F167 AromaticContact CD1-CD2 3.96Å; F33-F167 HydrophobicContact CD1-CD2 3.96Å; F33-F167 AromaticContact CD1-CE1 3.64Å; F33-F167 HydrophobicContact CD1-CE1 3.64Å; F33-F167 AromaticContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CG 4.03Å; F33-F167 AromaticContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD2-CB 4.05Å; F33-F167 HydrophobicContact CD2-CD1 4.3Å; F33-F167 AromaticContact CD2-CD2 3.27Å; F33-F167 HydrophobicContact CD2-CD2 3.27Å; F33-F167 AromaticContact CD2-CE2 3.74Å; F33-F167 HydrophobicContact CD2-CE2 3.74Å; F33-F167 AromaticContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CZ 4.37Å; F33-F167 AromaticContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD2 4.36Å; F33-F167 AromaticContact CE1-CE1 3.85Å; F33-F167 HydrophobicContact CE1-CE1 3.85Å; F33-F167 AromaticContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CZ 4.25Å; F33-F167 HydrophobicContact CE2-CB 3.61Å; F33-F167 HydrophobicContact CE2-CD1 4.15Å; F33-F167 AromaticContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CE2 4.5Å; F33-F167 AromaticContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CE1 4.06Å; F33-F167 AromaticContact CG-CE2 3.31Å; F33-F167 HydrophobicContact CG-CE2 3.31Å; F33-F167 AromaticContact CG-CG 3.84Å; F33-F167 HydrophobicContact CG-CG 3.84Å; F33-F167 AromaticContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CZ-CB 3.93Å; F33-F167 AromaticContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD2 4.27Å; F33-F167 HydrophobicContact CZ-CE1 4.43Å; F33-F167 AromaticContact CZ-CG 3.75Å; F33-F167 HydrophobicContact CZ-CG 3.75Å |
| 34 | M | 95.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.1 | -47 | -175.7 | -70.9 | -61.9 | -61.4 | 0 | 0 | 111.7 | I30 T31 L51 K53 L66 | I30-M34 HydrophobicContact CG2-CG 3.9Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 WeakPolarHBondContact O-CG 3.38Å; I30-M34 PolarHBondContact O-N 2.99Å; T31-M34 PolarHBondContact O-N 3.42Å; M34-L51 HydrophobicContact CE-CB 4.18Å; M34-L51 HydrophobicContact CG-CB 4.5Å; M34-L51 HydrophobicContact CG-CD1 4.22Å; M34-L51 HydrophobicContact SD-CB 4.43Å; M34-K53 HydrophobicContact CE-CB 3.85Å; M34-K53 HydrophobicContact CE-CD 4.26Å; M34-K53 PolarHBondContact O-NZ 2.89Å; M34-K53 HydrophobicContact SD-CB 3.49Å; M34-K53 WeakPolarHBondContact SD-CB 3.45Å; M34-K53 HydrophobicContact SD-CD 3.67Å; M34-K53 HydrophobicContact SD-CG 4.21Å; M34-L66 HydrophobicContact CG-CD1 4.12Å; M34-L66 HydrophobicContact SD-CD1 3.67Å |
| 35 | Y | 95.4 | Very high | 94.3 | Very high | 134 Ų | 134 | 59.2 Ų | 59.2 | 53% | 0.525 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -123.5 | -1.8 | -164.6 | -50.2 | -64.3 | 0 | 0 | 0 | 114.2 | T31 S37 L51 | T31-Y35 HydrophobicContact CG2-CD2 3.93Å; T31-Y35 PolarHBondContact O-N 3.27Å; Y35-S37 PolarHBondContact O-N 3.26Å; Y35-L51 HydrophobicContact CE2-CD1 4.43Å; Y35-L51 VanDerWaalsContact OH-CD2 3.31Å; Y35-L51 WeakPolarHBondContact OH-CD2 3.44Å |
| 36 | D | 95.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 54% | 0.54 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 50.6 | 41 | -172.3 | -154.9 | 7.7 | 0 | 0 | 0 | 113.4 | R32 | R32-D36 WeakPolarHBondContact CD-OD1 3.4Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 PolarHBondContact NH1-O 2.84Å; R32-D36 IonicContact NH1-OD1 3.55Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.46Å; R32-D36 PolarHBondContact O-N 3.38Å |
| 37 | S | 95.5 | Very high | 93.5 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | trans | -131.4 | 163.3 | 179.4 | 68 | 0 | 0 | 0 | 0 | 111.8 | R32 Y35 | R32-S37 VanDerWaalsContact CA-O 3.3Å; R32-S37 WeakPolarHBondContact CA-O 3.37Å; R32-S37 PolarHBondContact N-O 3.09Å; Y35-S37 PolarHBondContact O-N 3.26Å | ||
| 38 | F | 95.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 64.3 Ų | 64.3 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | trans | -141 | 129 | 173.5 | 177.5 | -93 | 0 | 0 | 0 | 109 | R32 N40 A157 K158 | R32-F38 VanDerWaalsContact NH2-CB 3.3Å; F38-N40 WeakPolarHBondContact CE1-OD1 3.17Å; F38-A157 HydrophobicContact CD2-CB 4.23Å; F38-A157 HydrophobicContact CE2-CB 4.3Å; F38-K158 HydrophobicContact CD1-CB 4.26Å; F38-K158 HydrophobicContact CD1-CG 3.89Å; F38-K158 HydrophobicContact CD2-CB 4.12Å; F38-K158 HydrophobicContact CE1-CB 4.08Å; F38-K158 HydrophobicContact CE1-CD 4.22Å; F38-K158 HydrophobicContact CE1-CG 3.77Å; F38-K158 HydrophobicContact CE2-CB 3.93Å; F38-K158 HydrophobicContact CG-CB 4.28Å; F38-K158 HydrophobicContact CG-CG 4.33Å; F38-K158 HydrophobicContact CZ-CB 3.92Å; F38-K158 HydrophobicContact CZ-CG 4.11Å | ||
| 39 | D | 91.8 | Very high | 93.1 | Very high | 95 Ų | 95 | 66.8 Ų | 66.8 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | trans | -91.2 | 128.1 | 172.6 | -167 | -12.2 | 0 | 0 | 0 | 109.6 | T41 | D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 WeakPolarHBondContact OD1-CB 3.32Å; D39-T41 PolarHBondContact OD1-N 3.12Å | ||
| 40 | N | 89.9 | Confident | 93 | Very high | 128 Ų | 128 | 70.7 Ų | 70.7 | 68% | 0.684 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -78.2 | -16 | 176.2 | -69.3 | -67 | 0 | 0 | 0 | 112.3 | F38 | F38-N40 WeakPolarHBondContact CE1-OD1 3.17Š|
| 41 | T | 89.3 | Confident | 92.9 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.564 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -88 | 114.9 | 178 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | D39 Q43 | D39-T41 VanDerWaalsContact C-N 3.27Å; D39-T41 WeakPolarHBondContact OD1-CB 3.32Å; D39-T41 PolarHBondContact OD1-N 3.12Å; T41-Q43 HydrophobicContact CG2-CG 4.49Å; T41-Q43 PolarHBondContact O-N 2.89Å |
| 42 | Y | 87.1 | Confident | 92.8 | Very high | 135 Ų | 135 | 72.1 Ų | 72.1 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | trans | -71.4 | 122.6 | 175 | 175.2 | -109.5 | 0 | 0 | 0 | 110.5 | A44 | Y42-A44 HydrophobicContact CE1-CB 4.18Š| ||
| 43 | Q | 88.8 | Confident | 92.6 | Very high | 147 Ų | 147 | 73.5 Ų | 73.5 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | trans | -120 | 126.9 | 167.9 | -63.9 | -170 | -15.9 | 0 | 0 | 108.8 | T41 T45 | T41-Q43 HydrophobicContact CG2-CG 4.49Å; T41-Q43 PolarHBondContact O-N 2.89Å; Q43-T45 PolarHBondContact O-N 3.26Å | ||
| 44 | A | 91.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 74.5 Ų | 74.5 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | trans | -71.8 | 123.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y42 I46 | Y42-A44 HydrophobicContact CE1-CB 4.18Å; A44-I46 PolarHBondContact O-N 3.44Å | ||
| 45 | T | 86.3 | Confident | 92.2 | Very high | 29 Ų | 29 | 74.3 Ų | 74.3 | 18% | 0.178 | 38% | 0.383 | C | S | . | . | trans | -59.5 | 132.7 | 172.3 | -37.8 | 0 | 0 | 0 | 0 | 109.8 | T27 Q43 A70 | T27-T45 PolarHBondContact OG1-OG1 2.96Å; Q43-T45 PolarHBondContact O-N 3.26Å; T45-A70 WeakPolarHBondContact O-CB 2.76Å | ||
| 46 | I | 87.8 | Confident | 91.9 | Very high | 129 Ų | 129 | 76.3 Ų | 76.3 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | trans | -106.4 | 124.5 | 177.8 | -67.1 | 175.8 | 0 | 0 | 0 | 107.6 | A44 I48 F75 | A44-I46 PolarHBondContact O-N 3.44Å; I46-I48 PolarHBondContact O-N 2.62Å; I46-F75 HydrophobicContact CB-CZ 4.29Å; I46-F75 HydrophobicContact CG2-CE1 4.13Å; I46-F75 HydrophobicContact CG2-CE2 4.42Å; I46-F75 HydrophobicContact CG2-CZ 3.71Å | ||
| 47 | G | 91.5 | Very high | 91.3 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 64.8 | -123.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A70 | G47-A70 WeakPolarHBondContact O-CB 3.45Å; G47-A70 PolarHBondContact O-N 3.35Å |
| 48 | I | 92.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 81.1 Ų | 81.1 | 18% | 0.179 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.9 | -176.7 | -63.2 | 174 | 0 | 0 | 0 | 108.4 | I46 W67 D68 T69 L78 Y82 | I46-I48 PolarHBondContact O-N 2.62Å; I48-W67 HydrophobicContact CG2-CE3 3.86Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.25Å; I48-D68 WeakPolarHBondContact CA-O 3.33Å; I48-D68 WeakPolarHBondContact CG2-O 3.34Å; I48-T69 HydrophobicContact CD1-CG2 4.41Å; I48-T69 HydrophobicContact CG1-CG2 4.28Å; I48-L78 HydrophobicContact CD1-CB 3.77Å; I48-Y82 HydrophobicContact CD1-CD1 4.44Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.17Å; I48-Y82 HydrophobicContact CD1-CG 3.88Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.17Å; I48-Y82 HydrophobicContact CG2-CE1 3.97Å |
| 49 | D | 94.6 | Very high | 89.9 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 156.7 | 176.6 | -165.2 | 14.9 | 0 | 0 | 0 | 111.1 | W67 D68 | D49-W67 WeakPolarHBondContact O-CA 3.45Å; D49-D68 HydrophobicContact CB-CB 4.27Å; D49-D68 PolarHBondContact N-O 3.42Å; D49-D68 PolarHBondContact O-N 3.13Å |
| 50 | F | 95.3 | Very high | 89.5 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.2 | -174.9 | 171.8 | -104.6 | 0 | 0 | 0 | 111.8 | Q65 L66 W67 | F50-Q65 HydrophobicContact CE2-CB 3.79Å; F50-Q65 HydrophobicContact CE2-CG 3.82Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.03Å; F50-L66 WeakPolarHBondContact CA-O 3.44Å; F50-W67 HydrophobicContact CB-CE3 3.93Å; F50-W67 HydrophobicContact CB-CH2 4.28Å; F50-W67 HydrophobicContact CB-CZ3 3.69Å; F50-W67 AromaticContact CD2-CD2 3.95Å; F50-W67 HydrophobicContact CD2-CD2 3.95Å; F50-W67 AromaticContact CD2-CE2 3.81Å; F50-W67 AromaticContact CD2-CE3 3.99Å; F50-W67 HydrophobicContact CD2-CE3 3.99Å; F50-W67 AromaticContact CD2-CH2 3.87Å; F50-W67 HydrophobicContact CD2-CH2 3.87Å; F50-W67 AromaticContact CD2-CZ2 3.8Å; F50-W67 HydrophobicContact CD2-CZ2 3.8Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.17Å; F50-W67 HydrophobicContact CG-CE3 4.39Å; F50-W67 HydrophobicContact CG-CH2 4.2Å; F50-W67 HydrophobicContact CG-CZ3 4.08Å |
| 51 | L | 95.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 75.5 Ų | 75.5 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.1 | 173.4 | -69.8 | 170.1 | 0 | 0 | 0 | 110.3 | I30 M34 Y35 L66 | I30-L51 HydrophobicContact CG2-CB 4.46Å; I30-L51 HydrophobicContact CG2-CD1 3.58Å; M34-L51 HydrophobicContact CE-CB 4.18Å; M34-L51 HydrophobicContact CG-CB 4.5Å; M34-L51 HydrophobicContact CG-CD1 4.22Å; M34-L51 HydrophobicContact SD-CB 4.43Å; Y35-L51 HydrophobicContact CE2-CD1 4.43Å; Y35-L51 VanDerWaalsContact OH-CD2 3.31Å; Y35-L51 WeakPolarHBondContact OH-CD2 3.44Å; L51-L66 HydrophobicContact CB-CB 4.45Å; L51-L66 PolarHBondContact N-O 3.17Å; L51-L66 PolarHBondContact O-N 3.46Å |
| 52 | S | 95.6 | Very high | 89.5 | Confident | 31 Ų | 31 | 71.2 Ų | 71.2 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.5 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | R63 L64 | S52-R63 WeakPolarHBondContact OG-CG 3.31Å; S52-R63 PolarHBondContact OG-NE 3.07Å; S52-L64 WeakPolarHBondContact CA-O 3.46Å; S52-L64 WeakPolarHBondContact CB-O 3.48Å; S52-L64 PolarHBondContact OG-O 3.18Å |
| 53 | K | 93.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.6 | 179.1 | -175.3 | 157.3 | -175 | 161.5 | 0 | 111 | F33 M34 L64 | F33-K53 HydrophobicContact CD1-CD 4.28Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.84Å; F33-K53 HydrophobicContact CE1-CG 4.36Å; F33-K53 HydrophobicContact CZ-CD 4.19Å; F33-K53 PolarHBondContact O-NZ 2.98Å; M34-K53 HydrophobicContact CE-CB 3.85Å; M34-K53 HydrophobicContact CE-CD 4.26Å; M34-K53 PolarHBondContact O-NZ 2.89Å; M34-K53 HydrophobicContact SD-CB 3.49Å; M34-K53 WeakPolarHBondContact SD-CB 3.45Å; M34-K53 HydrophobicContact SD-CD 3.67Å; M34-K53 HydrophobicContact SD-CG 4.21Å; K53-L64 PolarHBondContact N-O 3.39Å; K53-L64 PolarHBondContact O-N 2.9Å |
| 54 | T | 93.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 127.9 | 167.7 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | Y56 T61 V62 | T54-Y56 HydrophobicContact CG2-CE1 4.3Å; T54-Y56 HydrophobicContact CG2-CE2 4.19Å; T54-T61 HydrophobicContact CG2-CG2 3.2Å; T54-V62 WeakPolarHBondContact CA-O 3.43Å |
| 55 | M | 90.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.5 | 177 | -177.9 | 169.7 | 55.7 | 0 | 0 | 108.7 | F33 L57 V62 L64 A171 | F33-M55 HydrophobicContact CZ-SD 4.45Å; M55-L57 HydrophobicContact CE-CD2 4.14Å; M55-L57 HydrophobicContact CG-CD2 4.08Å; M55-L57 HydrophobicContact CG-CG 4.44Å; M55-L57 HydrophobicContact SD-CD2 4.15Å; M55-V62 HydrophobicContact CB-CG2 4.08Å; M55-V62 HydrophobicContact CE-CG2 3.64Å; M55-V62 PolarHBondContact N-O 3.48Å; M55-V62 PolarHBondContact O-N 2.92Å; M55-L64 HydrophobicContact CE-CD1 3.63Å; M55-L64 HydrophobicContact CE-CD2 3.98Å; M55-L64 HydrophobicContact CE-CG 3.95Å; M55-L64 HydrophobicContact SD-CD1 4.17Å; M55-A171 HydrophobicContact CE-CB 3.48Å; M55-A171 VanDerWaalsContact CE-CB 3.48Å; M55-A171 HydrophobicContact SD-CB 4.37Å |
| 56 | Y | 88.6 | Confident | 90.9 | Very high | 177 Ų | 177 | 61 Ų | 61 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.6 | 176.5 | -56.2 | -87.6 | 0 | 0 | 0 | 107.8 | T54 T61 | T54-Y56 HydrophobicContact CG2-CE1 4.3Å; T54-Y56 HydrophobicContact CG2-CE2 4.19Å; Y56-T61 HydrophobicContact CD1-CG2 3.9Å; Y56-T61 WeakPolarHBondContact CD1-OG1 3.39Å; Y56-T61 HydrophobicContact CE1-CG2 3.88Å |
| 57 | L | 84 | Confident | 91.4 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -101.9 | 166.6 | 171.4 | -55.5 | 169.8 | 0 | 0 | 0 | 108 | M55 D59 R60 V62 A171 M177 | M55-L57 HydrophobicContact CE-CD2 4.14Å; M55-L57 HydrophobicContact CG-CD2 4.08Å; M55-L57 HydrophobicContact CG-CG 4.44Å; M55-L57 HydrophobicContact SD-CD2 4.15Å; L57-D59 PolarHBondContact O-N 3.29Å; L57-R60 CarbonylContact C-O 3.59Å; L57-R60 WeakPolarHBondContact CA-O 3.17Å; L57-R60 HydrophobicContact CB-CG 4.39Å; L57-R60 WeakPolarHBondContact CB-O 3.32Å; L57-R60 HydrophobicContact CD1-CG 4.15Å; L57-R60 PolarHBondContact N-O 3.4Å; L57-R60 PolarHBondContact O-N 3.38Å; L57-V62 HydrophobicContact CD1-CG1 4.33Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; L57-A171 HydrophobicContact CD1-CB 4.13Å; L57-A171 HydrophobicContact CD2-CB 3.94Å; L57-M177 HydrophobicContact CD1-CE 3.19Å | ||
| 58 | E | 80.2 | Confident | 91.6 | Very high | 211 Ų | 211 | 56.9 Ų | 56.9 | 99% | 0.986 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -58.2 | -38.1 | -174.9 | -64.7 | 179.2 | 178.4 | 0 | 0 | 112.6 | ||
| 59 | D | 79.7 | Confident | 91.7 | Very high | 73 Ų | 73 | 55.2 Ų | 55.2 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -101.8 | -17.5 | -174.3 | 66.8 | -40.9 | 0 | 0 | 0 | 113.8 | L57 T180 | L57-D59 PolarHBondContact O-N 3.29Å; D59-T180 HydrophobicContact CB-CG2 4.46Å; D59-T180 WeakPolarHBondContact CB-OG1 3.48Å |
| 60 | R | 83.3 | Confident | 91.6 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | trans | -161.6 | 161.6 | -172.3 | 68.1 | -166.9 | -167 | 173.2 | 4.3 | 114.7 | L57 V62 G176 M177 | L57-R60 CarbonylContact C-O 3.59Å; L57-R60 WeakPolarHBondContact CA-O 3.17Å; L57-R60 HydrophobicContact CB-CG 4.39Å; L57-R60 WeakPolarHBondContact CB-O 3.32Å; L57-R60 HydrophobicContact CD1-CG 4.15Å; L57-R60 PolarHBondContact N-O 3.4Å; L57-R60 PolarHBondContact O-N 3.38Å; R60-V62 HydrophobicContact CG-CG1 4.03Å; R60-G176 VanDerWaalsContact NH1-C 3.28Å; R60-G176 PolarHBondContact NH1-O 3.29Å; R60-M177 VanDerWaalsContact CZ-CG 3.47Å | ||
| 61 | T | 88.7 | Confident | 91 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.4 | 168.7 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | L11 T54 Y56 | L11-T61 HydrophobicContact CD2-CG2 3.64Å; L11-T61 WeakPolarHBondContact CD2-O 3.48Å; T54-T61 HydrophobicContact CG2-CG2 3.2Å; Y56-T61 HydrophobicContact CD1-CG2 3.9Å; Y56-T61 WeakPolarHBondContact CD1-OG1 3.39Å; Y56-T61 HydrophobicContact CE1-CG2 3.88Å |
| 62 | V | 90.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.1 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | F14 T54 M55 L57 R60 L64 | F14-V62 HydrophobicContact CD2-CB 4.15Å; F14-V62 HydrophobicContact CD2-CG1 4.28Å; F14-V62 HydrophobicContact CE2-CB 4.23Å; F14-V62 HydrophobicContact CE2-CG1 3.86Å; T54-V62 WeakPolarHBondContact CA-O 3.43Å; M55-V62 HydrophobicContact CB-CG2 4.08Å; M55-V62 HydrophobicContact CE-CG2 3.64Å; M55-V62 PolarHBondContact N-O 3.48Å; M55-V62 PolarHBondContact O-N 2.92Å; L57-V62 HydrophobicContact CD1-CG1 4.33Å; L57-V62 HydrophobicContact CD1-CG2 4.08Å; R60-V62 HydrophobicContact CG-CG1 4.03Å; V62-L64 HydrophobicContact CG2-CD2 4.24Å |
| 63 | R | 93.6 | Very high | 90.1 | Very high | 103 Ų | 103 | 53.9 Ų | 53.9 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 113.9 | 173.4 | -171.6 | 167.3 | -176.5 | 168.5 | 2.3 | 109.9 | R12 K13 F14 S52 | R12-R63 PolarHBondContact O-N 2.85Å; K13-R63 VanDerWaalsContact CA-O 3.31Å; K13-R63 WeakPolarHBondContact CA-O 3.46Å; K13-R63 HydrophobicContact CG-CB 4.26Å; F14-R63 PolarHBondContact N-O 3.39Å; S52-R63 WeakPolarHBondContact OG-CG 3.31Å; S52-R63 PolarHBondContact OG-NE 3.07Å |
| 64 | L | 95.2 | Very high | 90 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 137 | 172.7 | -57 | -172.9 | 0 | 0 | 0 | 110 | F14 L16 F33 S52 K53 M55 V62 L66 F167 L174 | F14-L64 HydrophobicContact CB-CD2 4.25Å; L16-L64 HydrophobicContact CD1-CD2 4.03Å; L16-L64 HydrophobicContact CD2-CD1 4.37Å; F33-L64 HydrophobicContact CE1-CD1 4.18Å; F33-L64 HydrophobicContact CZ-CD1 4.19Å; S52-L64 WeakPolarHBondContact CA-O 3.46Å; S52-L64 WeakPolarHBondContact CB-O 3.48Å; S52-L64 PolarHBondContact OG-O 3.18Å; K53-L64 PolarHBondContact N-O 3.39Å; K53-L64 PolarHBondContact O-N 2.9Å; M55-L64 HydrophobicContact CE-CD1 3.63Å; M55-L64 HydrophobicContact CE-CD2 3.98Å; M55-L64 HydrophobicContact CE-CG 3.95Å; M55-L64 HydrophobicContact SD-CD1 4.17Å; V62-L64 HydrophobicContact CG2-CD2 4.24Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-F167 HydrophobicContact CD1-CD1 3.98Å; L64-L174 HydrophobicContact CD2-CD1 4.49Å |
| 65 | Q | 97 | Very high | 89.9 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.1 | 172.6 | -77.4 | -170.6 | -33.7 | 0 | 0 | 107.2 | F14 K15 L16 F50 | F14-Q65 PolarHBondContact O-N 3.47Å; K15-Q65 CarbonylContact C-O 3.58Å; K15-Q65 WeakPolarHBondContact CA-O 3.32Å; K15-Q65 HydrophobicContact CG-CB 3.99Å; L16-Q65 PolarHBondContact N-O 3.23Å; F50-Q65 HydrophobicContact CE2-CB 3.79Å; F50-Q65 HydrophobicContact CE2-CG 3.82Å; F50-Q65 HydrophobicContact CZ-CB 4.48Å; F50-Q65 HydrophobicContact CZ-CG 4.03Å |
| 66 | L | 97.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.3 | -173.7 | -47.8 | -178.3 | 0 | 0 | 0 | 108.5 | L16 F18 I30 F33 M34 F50 L51 L64 F167 | L16-L66 HydrophobicContact CB-CD2 3.99Å; L16-L66 HydrophobicContact CD2-CD2 3.73Å; L16-L66 HydrophobicContact CG-CD2 4.36Å; F18-L66 HydrophobicContact CE2-CB 4.5Å; F18-L66 HydrophobicContact CE2-CD2 4.21Å; I30-L66 HydrophobicContact CG2-CB 4.42Å; I30-L66 HydrophobicContact CG2-CD1 3.89Å; F33-L66 HydrophobicContact CD1-CD1 3.98Å; F33-L66 HydrophobicContact CE1-CD1 4.28Å; M34-L66 HydrophobicContact CG-CD1 4.12Å; M34-L66 HydrophobicContact SD-CD1 3.67Å; F50-L66 WeakPolarHBondContact CA-O 3.44Å; L51-L66 HydrophobicContact CB-CB 4.45Å; L51-L66 PolarHBondContact N-O 3.17Å; L51-L66 PolarHBondContact O-N 3.46Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L66-F167 HydrophobicContact CD1-CE1 4.28Å; L66-F167 HydrophobicContact CD2-CE1 3.89Å |
| 67 | W | 97.3 | Very high | 90.1 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105.3 | 175.2 | -64.6 | 100 | 0 | 0 | 0 | 108.8 | L16 V17 F18 I48 D49 F50 Y82 | L16-W67 PolarHBondContact O-N 3.4Å; V17-W67 HydrophobicContact CB-CB 4.38Å; V17-W67 HydrophobicContact CG2-CB 4.29Å; F18-W67 PolarHBondContact N-O 2.92Å; I48-W67 HydrophobicContact CG2-CE3 3.86Å; D49-W67 WeakPolarHBondContact O-CA 3.45Å; F50-W67 HydrophobicContact CB-CE3 3.93Å; F50-W67 HydrophobicContact CB-CH2 4.28Å; F50-W67 HydrophobicContact CB-CZ3 3.69Å; F50-W67 AromaticContact CD2-CD2 3.95Å; F50-W67 HydrophobicContact CD2-CD2 3.95Å; F50-W67 AromaticContact CD2-CE2 3.81Å; F50-W67 AromaticContact CD2-CE3 3.99Å; F50-W67 HydrophobicContact CD2-CE3 3.99Å; F50-W67 AromaticContact CD2-CH2 3.87Å; F50-W67 HydrophobicContact CD2-CH2 3.87Å; F50-W67 AromaticContact CD2-CZ2 3.8Å; F50-W67 HydrophobicContact CD2-CZ2 3.8Å; F50-W67 AromaticContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CD2-CZ3 3.94Å; F50-W67 HydrophobicContact CE2-CZ2 4.17Å; F50-W67 HydrophobicContact CG-CE3 4.39Å; F50-W67 HydrophobicContact CG-CH2 4.2Å; F50-W67 HydrophobicContact CG-CZ3 4.08Å; W67-Y82 AromaticContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CE1 4.01Å; W67-Y82 AromaticContact CE3-CD1 3.51Å; W67-Y82 HydrophobicContact CE3-CD1 3.51Å; W67-Y82 AromaticContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CE3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CG-CD1 4.14Å; W67-Y82 HydrophobicContact CH2-CD1 4.31Å; W67-Y82 AromaticContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CZ2-CD1 4.44Å; W67-Y82 HydrophobicContact CZ2-CE1 4.4Å; W67-Y82 AromaticContact CZ3-CD1 3.89Å; W67-Y82 HydrophobicContact CZ3-CD1 3.89Å; W67-Y82 AromaticContact CZ3-CE1 3.34Å; W67-Y82 HydrophobicContact CZ3-CE1 3.34Å |
| 68 | D | 96.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.9 | 175.1 | -170.2 | 22.7 | 0 | 0 | 0 | 109.5 | K26 T27 I30 I48 D49 | K26-D68 WeakPolarHBondContact CB-OD1 3.46Å; T27-D68 WeakPolarHBondContact CA-OD2 3.43Å; T27-D68 VanDerWaalsContact CB-OD2 3.22Å; T27-D68 WeakPolarHBondContact CB-OD2 3.36Å; T27-D68 WeakPolarHBondContact CG2-OD2 3.25Å; T27-D68 PolarHBondContact N-OD1 2.82Å; T27-D68 PolarHBondContact OG1-OD2 2.77Å; I30-D68 HydrophobicContact CD1-CB 3.48Å; I30-D68 VanDerWaalsContact CD1-CB 3.48Å; I48-D68 CarbonylContact C-O 3.58Å; I48-D68 VanDerWaalsContact CA-O 3.25Å; I48-D68 WeakPolarHBondContact CA-O 3.33Å; I48-D68 WeakPolarHBondContact CG2-O 3.34Å; D49-D68 HydrophobicContact CB-CB 4.27Å; D49-D68 PolarHBondContact N-O 3.42Å; D49-D68 PolarHBondContact O-N 3.13Å |
| 69 | T | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.9 | -179.3 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | V17 F18 L19 K26 I48 G71 I79 | V17-T69 HydrophobicContact CG2-CG2 3.64Å; F18-T69 WeakPolarHBondContact O-CB 3.24Å; F18-T69 WeakPolarHBondContact O-CG2 3.45Å; F18-T69 PolarHBondContact O-N 3.21Å; F18-T69 PolarHBondContact O-OG1 3.2Å; L19-T69 HydrophobicContact CD2-CG2 3.98Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; I48-T69 HydrophobicContact CD1-CG2 4.41Å; I48-T69 HydrophobicContact CG1-CG2 4.28Å; T69-G71 PolarHBondContact O-N 3.12Å; T69-I79 HydrophobicContact CG2-CG1 4.37Å |
| 70 | A | 91.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 132.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T45 G47 Q72 F75 | T45-A70 WeakPolarHBondContact O-CB 2.76Å; G47-A70 WeakPolarHBondContact O-CB 3.45Å; G47-A70 PolarHBondContact O-N 3.35Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.95Å; A70-F75 HydrophobicContact CB-CB 3.9Å; A70-F75 HydrophobicContact CB-CD2 3.46Å; A70-F75 VanDerWaalsContact CB-CD2 3.46Å; A70-F75 HydrophobicContact CB-CE2 4.3Å; A70-F75 HydrophobicContact CB-CG 3.96Å |
| 71 | G | 82 | Confident | 92.4 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | -83 | 0.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G20 Q22 T69 | G20-G71 WeakPolarHBondContact O-CA 3.27Å; Q22-G71 PolarHBondContact N-O 3.07Å; T69-G71 PolarHBondContact O-N 3.12Å | ||
| 72 | Q | 88.4 | Confident | 92.7 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -80.4 | 137.8 | 179.3 | -59.9 | 177.7 | 54.1 | 0 | 0 | 110.3 | A70 R74 F75 | A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 2.95Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 HydrophobicContact CB-CG 4.06Å; Q72-R74 PolarHBondContact O-N 3.15Å; Q72-F75 HydrophobicContact CB-CD2 3.96Å; Q72-F75 HydrophobicContact CB-CE2 4.37Å; Q72-F75 PolarHBondContact O-N 3.11Å; Q72-F75 VanDerWaalsContact O-N 3.07Å |
| 73 | E | 85 | Confident | 93 | Very high | 156 Ų | 156 | 47.5 Ų | 47.5 | 73% | 0.729 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -53.9 | -41.8 | -178.4 | -172.5 | -168.2 | -173.6 | 0 | 0 | 113.3 | F75 R76 | E73-F75 PolarHBondContact O-N 3.08Å; E73-R76 VanDerWaalsContact O-CB 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.31Å; E73-R76 PolarHBondContact O-N 3.12Å |
| 74 | R | 91.3 | Very high | 93.1 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 66% | 0.66 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -56.1 | -17.3 | 179.5 | 63.7 | -178.7 | -85.2 | -152.4 | -1.1 | 115 | Q72 | Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 HydrophobicContact CB-CG 4.06Å; Q72-R74 PolarHBondContact O-N 3.15Å |
| 75 | F | 92.2 | Very high | 92.9 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -106.4 | -0.7 | 177.7 | -59.1 | -62.1 | 0 | 0 | 0 | 113.5 | I46 A70 Q72 E73 S77 L78 | I46-F75 HydrophobicContact CB-CZ 4.29Å; I46-F75 HydrophobicContact CG2-CE1 4.13Å; I46-F75 HydrophobicContact CG2-CE2 4.42Å; I46-F75 HydrophobicContact CG2-CZ 3.71Å; A70-F75 HydrophobicContact CB-CB 3.9Å; A70-F75 HydrophobicContact CB-CD2 3.46Å; A70-F75 VanDerWaalsContact CB-CD2 3.46Å; A70-F75 HydrophobicContact CB-CE2 4.3Å; A70-F75 HydrophobicContact CB-CG 3.96Å; Q72-F75 HydrophobicContact CB-CD2 3.96Å; Q72-F75 HydrophobicContact CB-CE2 4.37Å; Q72-F75 PolarHBondContact O-N 3.11Å; Q72-F75 VanDerWaalsContact O-N 3.07Å; E73-F75 PolarHBondContact O-N 3.08Å; F75-S77 PolarHBondContact O-N 2.79Å; F75-L78 HydrophobicContact CD1-CD1 4.48Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 PolarHBondContact O-N 2.9Å; F75-L78 VanDerWaalsContact O-N 3.12Å |
| 76 | R | 90.3 | Very high | 92.9 | Very high | 49 Ų | 49 | 51 Ų | 51 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -60 | -30.6 | -175.7 | -85.6 | -171.4 | 154 | 120.8 | 1 | 113.9 | E21 E73 L78 I79 P80 W107 | E21-R76 IonicContact OE1-CZ 2.76Å; E21-R76 IonicContact OE1-NH2 3.85Å; E21-R76 PolarHBondContact OE1-NH2 2.82Å; E73-R76 VanDerWaalsContact O-CB 3.32Å; E73-R76 WeakPolarHBondContact O-CB 3.31Å; E73-R76 PolarHBondContact O-N 3.12Å; R76-L78 PolarHBondContact O-N 2.84Å; R76-L78 VanDerWaalsContact O-N 3.15Å; R76-I79 HydrophobicContact CG-CD1 4.3Å; R76-I79 WeakPolarHBondContact O-CB 3.01Å; R76-I79 PolarHBondContact O-N 2.95Å; R76-I79 VanDerWaalsContact O-N 3.12Å; R76-P80 WeakPolarHBondContact O-CD 3.31Å; R76-W107 HydrophobicContact CG-CH2 4.17Å |
| 77 | S | 92.9 | Very high | 92.8 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 74% | 0.741 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.8 | 178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | F75 | F75-S77 PolarHBondContact O-N 2.79Š|
| 78 | L | 92.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 50.4 Ų | 50.4 | 40% | 0.398 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -80.4 | -26.5 | 177.4 | -59.5 | 175.8 | 0 | 0 | 0 | 112.7 | I48 F75 R76 S81 Y82 | I48-L78 HydrophobicContact CD1-CB 3.77Å; F75-L78 HydrophobicContact CD1-CD1 4.48Å; F75-L78 WeakPolarHBondContact O-CB 3.47Å; F75-L78 PolarHBondContact O-N 2.9Å; F75-L78 VanDerWaalsContact O-N 3.12Å; R76-L78 PolarHBondContact O-N 2.84Å; R76-L78 VanDerWaalsContact O-N 3.15Å; L78-S81 PolarHBondContact O-OG 2.97Å; L78-S81 VanDerWaalsContact O-OG 3.08Å; L78-Y82 WeakPolarHBondContact O-CD2 3.2Å; L78-Y82 WeakPolarHBondContact O-CE2 3.35Å |
| 79 | I | 94.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -42.3 | -166.5 | -64.4 | 177.3 | 0 | 0 | 0 | 114.1 | L19 T69 R76 S81 Y82 I83 W107 | L19-I79 HydrophobicContact CD2-CG2 3.47Å; L19-I79 VanDerWaalsContact CD2-CG2 3.47Å; T69-I79 HydrophobicContact CG2-CG1 4.37Å; R76-I79 HydrophobicContact CG-CD1 4.3Å; R76-I79 WeakPolarHBondContact O-CB 3.01Å; R76-I79 PolarHBondContact O-N 2.95Å; R76-I79 VanDerWaalsContact O-N 3.12Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-S81 VanDerWaalsContact O-N 3.15Å; I79-Y82 PolarHBondContact O-N 3.26Å; I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 3.86Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.14Å; I79-W107 HydrophobicContact CD1-CH2 3.51Å; I79-W107 HydrophobicContact CD1-CZ3 3.54Å; I79-W107 HydrophobicContact CG2-CZ3 4.35Å |
| 80 | P | 95.1 | Very high | 93 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -50 | -43.6 | -175.8 | -34.3 | 39.2 | 0 | 0 | 0 | 114.9 | R76 Y82 I83 R84 E114 | R76-P80 WeakPolarHBondContact O-CD 3.31Å; P80-Y82 VanDerWaalsContact C-N 3.29Å; P80-Y82 PolarHBondContact O-N 2.71Å; P80-I83 PolarHBondContact O-N 2.97Å; P80-R84 WeakPolarHBondContact O-CG 3.1Å; P80-R84 PolarHBondContact O-N 3.2Å; P80-E114 HydrophobicContact CB-CG 4.1Å |
| 81 | S | 94.1 | Very high | 93.4 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -32.5 | -180 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | L78 I79 | L78-S81 PolarHBondContact O-OG 2.97Å; L78-S81 VanDerWaalsContact O-OG 3.08Å; I79-S81 VanDerWaalsContact C-N 3.3Å; I79-S81 PolarHBondContact O-N 3.19Å; I79-S81 VanDerWaalsContact O-N 3.15Å |
| 82 | Y | 94.8 | Very high | 94.2 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80.9 | -29 | 179.2 | -64.2 | -94 | 0 | 0 | 0 | 112 | I48 W67 L78 I79 P80 S86 | I48-Y82 HydrophobicContact CD1-CD1 4.44Å; I48-Y82 HydrophobicContact CD1-CD2 3.22Å; I48-Y82 HydrophobicContact CD1-CE1 4.39Å; I48-Y82 HydrophobicContact CD1-CE2 3.17Å; I48-Y82 HydrophobicContact CD1-CG 3.88Å; I48-Y82 HydrophobicContact CG1-CE2 4.41Å; I48-Y82 HydrophobicContact CG2-CD1 4.17Å; I48-Y82 HydrophobicContact CG2-CE1 3.97Å; W67-Y82 AromaticContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CD1 3.64Å; W67-Y82 HydrophobicContact CD2-CE1 4.01Å; W67-Y82 AromaticContact CE3-CD1 3.51Å; W67-Y82 HydrophobicContact CE3-CD1 3.51Å; W67-Y82 AromaticContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CE3-CE1 3.42Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.42Å; W67-Y82 HydrophobicContact CG-CD1 4.14Å; W67-Y82 HydrophobicContact CH2-CD1 4.31Å; W67-Y82 AromaticContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CH2-CE1 3.85Å; W67-Y82 HydrophobicContact CZ2-CD1 4.44Å; W67-Y82 HydrophobicContact CZ2-CE1 4.4Å; W67-Y82 AromaticContact CZ3-CD1 3.89Å; W67-Y82 HydrophobicContact CZ3-CD1 3.89Å; W67-Y82 AromaticContact CZ3-CE1 3.34Å; W67-Y82 HydrophobicContact CZ3-CE1 3.34Å; L78-Y82 WeakPolarHBondContact O-CD2 3.2Å; L78-Y82 WeakPolarHBondContact O-CE2 3.35Å; I79-Y82 PolarHBondContact O-N 3.26Å; P80-Y82 VanDerWaalsContact C-N 3.29Å; P80-Y82 PolarHBondContact O-N 2.71Å; Y82-S86 WeakPolarHBondContact O-CB 3.4Å; Y82-S86 PolarHBondContact O-N 2.83Å; Y82-S86 PolarHBondContact O-OG 2.82Å |
| 83 | I | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -51.1 | 170.1 | -64.6 | 178.1 | 0 | 0 | 0 | 109.8 | V17 L19 I79 P80 D85 S86 V111 E114 R115 | V17-I83 HydrophobicContact CG1-CG1 4.38Å; L19-I83 HydrophobicContact CD1-CD1 3.84Å; L19-I83 HydrophobicContact CD1-CG1 4.06Å; L19-I83 HydrophobicContact CD2-CD1 4.48Å; L19-I83 HydrophobicContact CD2-CG1 4.48Å; I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 3.86Å; I79-I83 PolarHBondContact O-N 2.95Å; I79-I83 VanDerWaalsContact O-N 3.14Å; P80-I83 PolarHBondContact O-N 2.97Å; I83-D85 PolarHBondContact O-N 3.15Å; I83-S86 PolarHBondContact O-N 2.79Å; I83-V111 HydrophobicContact CD1-CG2 4.03Å; I83-V111 HydrophobicContact CG1-CG2 4.49Å; I83-V111 HydrophobicContact CG2-CB 4.38Å; I83-V111 HydrophobicContact CG2-CG1 4.39Å; I83-V111 HydrophobicContact CG2-CG2 4.24Å; I83-E114 HydrophobicContact CB-CB 4.09Å; I83-E114 HydrophobicContact CB-CG 4.49Å; I83-E114 HydrophobicContact CG2-CB 3.62Å; I83-E114 HydrophobicContact CG2-CG 4.4Å; I83-R115 HydrophobicContact CG2-CB 4.38Å; I83-R115 HydrophobicContact CG2-CG 4.06Å; I83-R115 WeakPolarHBondContact O-CG 3.39Å |
| 84 | R | 95.2 | Very high | 95.3 | Very high | 124 Ų | 124 | 40.7 Ų | 40.7 | 47% | 0.468 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.6 | -30.6 | -179.4 | -74.3 | -162.7 | -66.6 | -107.7 | 7.2 | 113.9 | P80 E114 R115 | P80-R84 WeakPolarHBondContact O-CG 3.1Å; P80-R84 PolarHBondContact O-N 3.2Å; R84-E114 WeakPolarHBondContact CD-OE2 3.45Å; R84-E114 HydrophobicContact CG-CB 3.94Å; R84-E114 VanDerWaalsContact CG-OE2 3.32Å; R84-E114 WeakPolarHBondContact CG-OE2 3.38Å; R84-E114 IonicContact CZ-OE2 3.64Å; R84-E114 IonicContact NE-OE2 3.58Å; R84-E114 IonicContact NH1-OE2 2.71Å; R84-E114 PolarHBondContact NH1-OE2 3.41Å; R84-R115 WeakPolarHBondContact O-CD 3.26Å; R84-R115 PolarHBondContact O-NE 3.36Å; R84-R115 PolarHBondContact O-NH1 2.84Å; R84-R115 VanDerWaalsContact O-NH1 3.14Å; R84-R115 PolarHBondContact O-NH2 2.83Å |
| 85 | D | 91.6 | Very high | 95.7 | Very high | 89 Ų | 89 | 32.4 Ų | 32.4 | 48% | 0.476 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -90.6 | -13.2 | -179.5 | -90.9 | 13.5 | 0 | 0 | 0 | 114.1 | K15 I83 R115 | K15-D85 HydrophobicContact CD-CB 4.04Å; K15-D85 WeakPolarHBondContact CD-O 3.11Å; K15-D85 IonicContact NZ-OD2 2.71Å; K15-D85 PolarHBondContact NZ-OD2 3.19Å; I83-D85 PolarHBondContact O-N 3.15Å; D85-R115 PolarHBondContact O-NH2 2.96Å |
| 86 | S | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -88.1 | 140.5 | -170.6 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | V17 Y82 I83 R115 | V17-S86 WeakPolarHBondContact CB-OG 3.47Å; Y82-S86 WeakPolarHBondContact O-CB 3.4Å; Y82-S86 PolarHBondContact O-N 2.83Å; Y82-S86 PolarHBondContact O-OG 2.82Å; I83-S86 PolarHBondContact O-N 2.79Å; S86-R115 VanDerWaalsContact O-CZ 3.26Å; S86-R115 PolarHBondContact O-NE 2.91Å; S86-R115 PolarHBondContact O-NH2 3.44Å | ||
| 87 | T | 95.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -83.9 | -25.6 | 172.5 | -43.2 | 0 | 0 | 0 | 0 | 110.9 | F14 K15 I120 L174 | F14-T87 HydrophobicContact CD1-CG2 4.16Å; K15-T87 PolarHBondContact O-N 3.24Å; T87-I120 PolarHBondContact O-N 3.11Å; T87-I120 VanDerWaalsContact O-N 3.09Å; T87-L174 HydrophobicContact CG2-CD2 4.14Å |
| 88 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.4 | -177.3 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | K15 L16 V17 V90 I120 V170 L174 | K15-V88 PolarHBondContact O-N 3.25Å; K15-V88 VanDerWaalsContact O-N 3.15Å; L16-V88 WeakPolarHBondContact CA-O 3.47Å; L16-V88 HydrophobicContact CD1-CB 4.22Å; L16-V88 HydrophobicContact CD1-CG2 4.17Å; L16-V88 HydrophobicContact CG-CB 3.84Å; L16-V88 HydrophobicContact CG-CG1 4.18Å; L16-V88 HydrophobicContact CG-CG2 4.25Å; V17-V88 PolarHBondContact N-O 2.95Å; V88-V90 HydrophobicContact CG1-CG2 4.12Å; V88-I120 CarbonylContact C-O 3.6Å; V88-I120 VanDerWaalsContact CA-O 3.25Å; V88-I120 WeakPolarHBondContact CA-O 3.15Å; V88-I120 HydrophobicContact CG1-CB 4.5Å; V88-I120 HydrophobicContact CG1-CG2 4.36Å; V88-I120 HydrophobicContact CG2-CB 4.12Å; V88-I120 HydrophobicContact CG2-CD1 4.28Å; V88-I120 HydrophobicContact CG2-CG2 4.48Å; V88-V170 HydrophobicContact CB-CG1 4.29Å; V88-V170 HydrophobicContact CG1-CG1 3.77Å; V88-V170 HydrophobicContact CG1-CG2 4.25Å; V88-V170 HydrophobicContact CG2-CG1 3.78Å; V88-L174 HydrophobicContact CG2-CD2 3.61Å |
| 89 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V17 L19 V111 V119 I120 I121 M122 | V17-A89 HydrophobicContact CG1-CB 4.09Å; L19-A89 HydrophobicContact CD1-CB 4.44Å; A89-V111 HydrophobicContact CB-CB 4.42Å; A89-V111 HydrophobicContact CB-CG1 3.8Å; A89-V111 HydrophobicContact CB-CG2 3.68Å; A89-V119 HydrophobicContact CB-CG2 4.21Å; A89-I120 PolarHBondContact N-O 2.9Å; A89-I121 WeakPolarHBondContact O-CA 3.37Å; A89-M122 PolarHBondContact O-N 3.32Å |
| 90 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.2 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | V17 F18 L19 V88 V92 M122 V124 L166 | V17-V90 PolarHBondContact O-N 3.3Å; F18-V90 CarbonylContact C-O 3.5Å; F18-V90 WeakPolarHBondContact CA-O 3.42Å; F18-V90 HydrophobicContact CD1-CB 3.89Å; F18-V90 HydrophobicContact CD1-CG1 3.89Å; F18-V90 HydrophobicContact CE1-CB 3.91Å; F18-V90 HydrophobicContact CE1-CG1 3.73Å; F18-V90 HydrophobicContact CE1-CG2 4.15Å; F18-V90 HydrophobicContact CE2-CG2 4.27Å; F18-V90 HydrophobicContact CG-CB 4.21Å; F18-V90 HydrophobicContact CZ-CB 4.22Å; F18-V90 HydrophobicContact CZ-CG1 4.38Å; F18-V90 HydrophobicContact CZ-CG2 3.98Å; L19-V90 PolarHBondContact N-O 2.81Å; V88-V90 HydrophobicContact CG1-CG2 4.12Å; V90-V92 HydrophobicContact CG1-CG2 4.01Å; V90-M122 CarbonylContact C-O 3.5Å; V90-M122 WeakPolarHBondContact CA-O 3.41Å; V90-V124 HydrophobicContact CG1-CG2 3.57Å; V90-L166 HydrophobicContact CG1-CD1 4.47Å |
| 91 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.1 | -178.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L19 T104 W107 I108 I121 M122 L123 V124 | L19-V91 HydrophobicContact CB-CG2 4.4Å; V91-T104 HydrophobicContact CG1-CG2 3.96Å; V91-W107 HydrophobicContact CG1-CB 3.74Å; V91-W107 HydrophobicContact CG1-CG 4.44Å; V91-W107 HydrophobicContact CG2-CB 4.46Å; V91-I108 HydrophobicContact CB-CG1 4.39Å; V91-I108 HydrophobicContact CG1-CG1 4.36Å; V91-I108 HydrophobicContact CG2-CG1 3.96Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; V91-M122 PolarHBondContact N-O 2.87Å; V91-L123 HydrophobicContact CG1-CD1 4.41Å; V91-L123 CarbonylContact O-C 3.53Å; V91-L123 WeakPolarHBondContact O-CA 3.25Å; V91-V124 PolarHBondContact O-N 2.98Å |
| 92 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.5 | -170.2 | -170 | 0 | 0 | 0 | 0 | 110.8 | F18 L19 V24 K26 L29 V90 V124 N126 | F18-V92 HydrophobicContact CD1-CG2 4.36Å; L19-V92 PolarHBondContact O-N 3.41Å; V24-V92 HydrophobicContact CB-CG1 4.26Å; V24-V92 HydrophobicContact CG2-CB 3.87Å; V24-V92 HydrophobicContact CG2-CG1 3.87Å; K26-V92 HydrophobicContact CG-CB 4.09Å; K26-V92 HydrophobicContact CG-CG2 4.07Å; L29-V92 HydrophobicContact CD1-CG1 3.89Å; L29-V92 HydrophobicContact CD1-CG2 4.08Å; V90-V92 HydrophobicContact CG1-CG2 4.01Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CB 4.47Å; V92-V124 HydrophobicContact CG2-CB 4.29Å; V92-N126 HydrophobicContact CG1-CB 3.79Å |
| 93 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 164.6 | 166.4 | 71.7 | -85.6 | 0 | 0 | 0 | 110.9 | I95 F101 T104 L123 V124 N126 V136 F152 | Y93-I95 HydrophobicContact CE2-CG2 4Å; Y93-F101 AromaticContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CG 4.25Å; Y93-F101 AromaticContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CE2 4.24Å; Y93-F101 HydrophobicContact CE2-CB 4.25Å; Y93-F101 AromaticContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CG 4.33Å; Y93-F101 HydrophobicContact CG-CB 4.09Å; Y93-F101 AromaticContact CG-CD2 3.98Å; Y93-F101 HydrophobicContact CG-CD2 3.98Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; Y93-T104 HydrophobicContact CD1-CG2 4.13Å; Y93-T104 HydrophobicContact CG-CG2 4.31Å; Y93-L123 HydrophobicContact CD1-CD1 3.9Å; Y93-L123 HydrophobicContact CD1-CG 4.37Å; Y93-L123 HydrophobicContact CE1-CD1 4.13Å; Y93-L123 HydrophobicContact CE1-CD2 4.47Å; Y93-L123 HydrophobicContact CE1-CG 4.1Å; Y93-V124 VanDerWaalsContact CD1-O 3.25Å; Y93-V124 WeakPolarHBondContact CD1-O 3.31Å; Y93-V124 PolarHBondContact N-O 3.25Å; Y93-N126 WeakPolarHBondContact O-CB 3.49Å; Y93-N126 PolarHBondContact O-N 2.86Å; Y93-V136 HydrophobicContact CE2-CB 4.15Å; Y93-V136 HydrophobicContact CE2-CG1 3.91Å; Y93-F152 HydrophobicContact CE1-CE2 4.2Å |
| 94 | D | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 123.3 | 174.6 | 172.9 | -5.2 | 0 | 0 | 0 | 108.9 | V24 T96 N97 S100 K127 | V24-D94 HydrophobicContact CB-CB 4.39Å; V24-D94 HydrophobicContact CG1-CB 4.31Å; D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 3.27Å; D94-T96 VanDerWaalsContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.22Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.8Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å; D94-N97 HydrophobicContact CB-CB 4.05Å; D94-N97 PolarHBondContact O-N 2.99Å; D94-S100 PolarHBondContact N-OG 3.3Å; D94-S100 PolarHBondContact O-OG 2.94Å; D94-K127 HydrophobicContact CB-CD 4.34Å; D94-K127 WeakPolarHBondContact OD2-CD 3.42Å; D94-K127 WeakPolarHBondContact OD2-CE 3.49Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 3.11Å |
| 95 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18 | -177.9 | 65.2 | 154.6 | 0 | 0 | 0 | 113.4 | Y93 N126 K127 T128 R134 Q135 V136 | Y93-I95 HydrophobicContact CE2-CG2 4Å; I95-N126 WeakPolarHBondContact CG1-O 3.22Å; I95-N126 WeakPolarHBondContact CG2-O 2.83Å; I95-N126 PolarHBondContact N-O 2.88Å; I95-K127 WeakPolarHBondContact CD1-O 3.44Å; I95-T128 HydrophobicContact CD1-CG2 4.33Å; I95-R134 HydrophobicContact CD1-CB 4.25Å; I95-R134 HydrophobicContact CD1-CG 4.31Å; I95-Q135 PolarHBondContact O-N 3.34Å; I95-V136 PolarHBondContact O-N 2.77Å; I95-V136 VanDerWaalsContact O-N 3.1Å |
| 96 | T | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.5 | 177.7 | 72.3 | 0 | 0 | 0 | 0 | 112.9 | D94 L130 K133 Q135 | D94-T96 VanDerWaalsContact CG-OG1 3.23Å; D94-T96 PolarHBondContact O-N 3.27Å; D94-T96 VanDerWaalsContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.22Å; D94-T96 PolarHBondContact OD1-N 2.75Å; D94-T96 PolarHBondContact OD1-OG1 2.8Å; D94-T96 PolarHBondContact OD2-OG1 2.9Å; T96-L130 HydrophobicContact CG2-CB 3.59Å; T96-L130 HydrophobicContact CG2-CD1 4.12Å; T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.27Å; T96-K133 HydrophobicContact CG2-CB 3.85Å; T96-Q135 WeakPolarHBondContact O-CG 3.5Å; T96-Q135 PolarHBondContact O-NE2 3.1Å; T96-Q135 PolarHBondContact O-OE1 3.41Å; T96-Q135 VanDerWaalsContact O-OE1 3.09Å |
| 97 | N | 98.4 | Very high | 98.2 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | trans | -135.9 | 96.1 | -175.8 | -177.4 | -24 | 0 | 0 | 0 | 110.9 | D94 N99 S100 F101 | D94-N97 HydrophobicContact CB-CB 4.05Å; D94-N97 PolarHBondContact O-N 2.99Å; N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.5Å; N97-N99 WeakPolarHBondContact OD1-CB 3.48Å; N97-N99 PolarHBondContact OD1-N 3.44Å; N97-N99 VanDerWaalsContact OD1-N 3.12Å; N97-S100 WeakPolarHBondContact O-CB 3.45Å; N97-S100 PolarHBondContact O-N 3.25Å; N97-S100 VanDerWaalsContact O-N 3.08Å; N97-S100 PolarHBondContact O-OG 2.89Å; N97-S100 PolarHBondContact OD1-N 3.45Å; N97-F101 PolarHBondContact O-N 2.76Å | ||
| 98 | V | 98.2 | Very high | 98.4 | Very high | 48 Ų | 48 | 26.7 Ų | 26.7 | 29% | 0.291 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.9 | -37.1 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 112.6 | S100 F101 Q102 Q135 V136 | V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 2.89Å; V98-F101 WeakPolarHBondContact O-CB 3.42Å; V98-F101 PolarHBondContact O-N 3.22Å; V98-F101 VanDerWaalsContact O-N 3.11Å; V98-Q102 HydrophobicContact CG1-CG 4.19Å; V98-Q102 WeakPolarHBondContact O-CG 3.34Å; V98-Q102 PolarHBondContact O-N 3.33Å; V98-Q135 HydrophobicContact CG2-CB 3.43Å; V98-Q135 VanDerWaalsContact CG2-CB 3.43Å; V98-Q135 HydrophobicContact CG2-CG 4.47Å; V98-Q135 WeakPolarHBondContact CG2-O 3.41Å; V98-V136 HydrophobicContact CB-CG2 4.49Å; V98-V136 HydrophobicContact CG2-CG2 3.97Å |
| 99 | N | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 30.1 Ų | 30.1 | 46% | 0.46 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 178.5 | -179.9 | 65.8 | 0 | 0 | 0 | 111 | N97 F101 Q102 Q103 | N97-N99 VanDerWaalsContact C-N 3.26Å; N97-N99 PolarHBondContact O-N 3.5Å; N97-N99 WeakPolarHBondContact OD1-CB 3.48Å; N97-N99 PolarHBondContact OD1-N 3.44Å; N97-N99 VanDerWaalsContact OD1-N 3.12Å; N99-F101 PolarHBondContact O-N 2.98Å; N99-Q102 PolarHBondContact O-N 3.42Å; N99-Q103 VanDerWaalsContact O-CG 3.23Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.85Å |
| 100 | S | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -34.1 | 176.1 | 78.7 | 0 | 0 | 0 | 0 | 112.8 | D94 N97 V98 T104 | D94-S100 PolarHBondContact N-OG 3.3Å; D94-S100 PolarHBondContact O-OG 2.94Å; N97-S100 WeakPolarHBondContact O-CB 3.45Å; N97-S100 PolarHBondContact O-N 3.25Å; N97-S100 VanDerWaalsContact O-N 3.08Å; N97-S100 PolarHBondContact O-OG 2.89Å; N97-S100 PolarHBondContact OD1-N 3.45Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 2.89Å; S100-T104 WeakPolarHBondContact O-CG2 3.38Å |
| 101 | F | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.7 | -42.1 | 175 | 173.7 | -109.2 | 0 | 0 | 0 | 112.4 | Y93 N97 V98 N99 Q103 T104 V136 E140 K144 | Y93-F101 AromaticContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD1-CD2 3.97Å; Y93-F101 HydrophobicContact CD2-CB 3.74Å; Y93-F101 AromaticContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CD2 3.86Å; Y93-F101 HydrophobicContact CD2-CG 4.25Å; Y93-F101 AromaticContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CD2 3.83Å; Y93-F101 HydrophobicContact CE1-CE2 4.24Å; Y93-F101 HydrophobicContact CE2-CB 4.25Å; Y93-F101 AromaticContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CD2 3.73Å; Y93-F101 HydrophobicContact CE2-CG 4.33Å; Y93-F101 HydrophobicContact CG-CB 4.09Å; Y93-F101 AromaticContact CG-CD2 3.98Å; Y93-F101 HydrophobicContact CG-CD2 3.98Å; Y93-F101 AromaticContact CZ-CD2 3.71Å; N97-F101 PolarHBondContact O-N 2.76Å; V98-F101 WeakPolarHBondContact O-CB 3.42Å; V98-F101 PolarHBondContact O-N 3.22Å; V98-F101 VanDerWaalsContact O-N 3.11Å; N99-F101 PolarHBondContact O-N 2.98Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-OG1 2.76Å; F101-V136 HydrophobicContact CB-CG1 4.38Å; F101-V136 HydrophobicContact CB-CG2 3.72Å; F101-V136 HydrophobicContact CD1-CG1 3.91Å; F101-V136 HydrophobicContact CD1-CG2 4.14Å; F101-V136 HydrophobicContact CD2-CG1 3.86Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.02Å; F101-V136 HydrophobicContact CG-CG1 3.78Å; F101-V136 HydrophobicContact CG-CG2 3.96Å; F101-V136 HydrophobicContact CZ-CG1 4.11Å; F101-E140 HydrophobicContact CE1-CB 4.47Å; F101-E140 HydrophobicContact CZ-CB 4.27Å; F101-K144 HydrophobicContact CD2-CD 4.29Å; F101-K144 HydrophobicContact CE1-CD 4.06Å; F101-K144 HydrophobicContact CE2-CB 4.14Å; F101-K144 HydrophobicContact CE2-CD 3.53Å; F101-K144 HydrophobicContact CE2-CG 4.42Å; F101-K144 HydrophobicContact CZ-CB 3.79Å; F101-K144 HydrophobicContact CZ-CD 3.4Å; F101-K144 HydrophobicContact CZ-CG 4.22Å; F101-K144 PolarHBondContact O-NZ 3.12Å |
| 102 | Q | 98.4 | Very high | 98.1 | Very high | 111 Ų | 111 | 37 Ų | 37 | 52% | 0.519 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.3 | -71.8 | 173.1 | -9.8 | 0 | 0 | 111 | V98 N99 T104 T105 K144 | V98-Q102 HydrophobicContact CG1-CG 4.19Å; V98-Q102 WeakPolarHBondContact O-CG 3.34Å; V98-Q102 PolarHBondContact O-N 3.33Å; N99-Q102 PolarHBondContact O-N 3.42Å; Q102-T104 PolarHBondContact O-N 2.96Å; Q102-T104 VanDerWaalsContact O-N 3.11Å; Q102-T105 PolarHBondContact O-N 2.97Å; Q102-K144 PolarHBondContact O-NZ 2.71Å |
| 103 | Q | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16 | -179.6 | -66.7 | -63.8 | 98 | 0 | 0 | 114.2 | E21 N99 F101 T105 K106 W107 | E21-Q103 HydrophobicContact CG-CB 3.78Å; E21-Q103 HydrophobicContact CG-CG 4Å; N99-Q103 VanDerWaalsContact O-CG 3.23Å; N99-Q103 WeakPolarHBondContact O-CG 3.42Å; N99-Q103 PolarHBondContact O-N 2.85Å; F101-Q103 VanDerWaalsContact C-N 3.31Å; F101-Q103 PolarHBondContact O-N 2.87Å; Q103-T105 PolarHBondContact O-N 2.9Å; Q103-K106 PolarHBondContact O-N 3.42Å; Q103-W107 PolarHBondContact O-N 3.05Å |
| 104 | T | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -26.8 | 178 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | V91 Y93 S100 F101 Q102 W107 I108 L123 K144 | V91-T104 HydrophobicContact CG1-CG2 3.96Å; Y93-T104 HydrophobicContact CD1-CG2 4.13Å; Y93-T104 HydrophobicContact CG-CG2 4.31Å; S100-T104 WeakPolarHBondContact O-CG2 3.38Å; F101-T104 PolarHBondContact O-N 2.87Å; F101-T104 PolarHBondContact O-OG1 2.76Å; Q102-T104 PolarHBondContact O-N 2.96Å; Q102-T104 VanDerWaalsContact O-N 3.11Å; T104-W107 PolarHBondContact O-N 2.85Å; T104-I108 WeakPolarHBondContact O-CB 3.39Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.42Å; T104-I108 PolarHBondContact O-N 2.81Å; T104-L123 HydrophobicContact CG2-CD1 3.8Å; T104-K144 WeakPolarHBondContact OG1-CE 3.47Å; T104-K144 PolarHBondContact OG1-NZ 3.29Å |
| 105 | T | 98.2 | Very high | 97.7 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -50 | 174.9 | -53.6 | 0 | 0 | 0 | 0 | 109.9 | Q102 Q103 W107 I108 D109 K144 | Q102-T105 PolarHBondContact O-N 2.97Å; Q103-T105 PolarHBondContact O-N 2.9Å; T105-W107 VanDerWaalsContact C-N 3.34Å; T105-W107 PolarHBondContact O-N 2.87Å; T105-I108 PolarHBondContact O-N 3.48Å; T105-I108 VanDerWaalsContact O-N 3.12Å; T105-D109 VanDerWaalsContact O-CG 3.25Å; T105-D109 PolarHBondContact O-N 3.33Å; T105-K144 WeakPolarHBondContact OG1-CE 3.46Å; T105-K144 PolarHBondContact OG1-NZ 2.95Å |
| 106 | K | 97.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.1 | -179.6 | 178.2 | 177.5 | 175.7 | 0 | 111.9 | Q103 I108 D109 D110 | Q103-K106 PolarHBondContact O-N 3.42Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 2.59Å; K106-D109 PolarHBondContact O-N 3.49Å; K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 2.9Å |
| 107 | W | 97.5 | Very high | 97 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.6 | -73.1 | 112.4 | 0 | 0 | 0 | 112.9 | L19 G20 E21 R76 I79 V91 Q103 T104 T105 V111 | L19-W107 HydrophobicContact CB-CD2 4.35Å; L19-W107 HydrophobicContact CB-CE3 4.07Å; L19-W107 HydrophobicContact CD2-CE3 4.34Å; L19-W107 HydrophobicContact CD2-CZ3 4.21Å; G20-W107 WeakPolarHBondContact O-CZ2 3.23Å; E21-W107 PolarHBondContact OE1-NE1 2.84Å; R76-W107 HydrophobicContact CG-CH2 4.17Å; I79-W107 HydrophobicContact CD1-CH2 3.51Å; I79-W107 HydrophobicContact CD1-CZ3 3.54Å; I79-W107 HydrophobicContact CG2-CZ3 4.35Å; V91-W107 HydrophobicContact CG1-CB 3.74Å; V91-W107 HydrophobicContact CG1-CG 4.44Å; V91-W107 HydrophobicContact CG2-CB 4.46Å; Q103-W107 PolarHBondContact O-N 3.05Å; T104-W107 PolarHBondContact O-N 2.85Å; T105-W107 VanDerWaalsContact C-N 3.34Å; T105-W107 PolarHBondContact O-N 2.87Å; W107-V111 VanDerWaalsContact O-CG2 3.27Å; W107-V111 WeakPolarHBondContact O-CG2 3.46Å; W107-V111 PolarHBondContact O-N 2.82Å; W107-V111 VanDerWaalsContact O-N 3.11Å |
| 108 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 177 | -70.2 | 168.9 | 0 | 0 | 0 | 110.8 | V91 T104 T105 K106 V111 R112 I121 L148 V150 | V91-I108 HydrophobicContact CB-CG1 4.39Å; V91-I108 HydrophobicContact CG1-CG1 4.36Å; V91-I108 HydrophobicContact CG2-CG1 3.96Å; T104-I108 WeakPolarHBondContact O-CB 3.39Å; T104-I108 VanDerWaalsContact O-CG1 3.24Å; T104-I108 WeakPolarHBondContact O-CG1 3.42Å; T104-I108 PolarHBondContact O-N 2.81Å; T105-I108 PolarHBondContact O-N 3.48Å; T105-I108 VanDerWaalsContact O-N 3.12Å; K106-I108 VanDerWaalsContact C-N 3.3Å; K106-I108 PolarHBondContact O-N 2.59Å; I108-V111 WeakPolarHBondContact O-CB 3.45Å; I108-V111 PolarHBondContact O-N 2.95Å; I108-R112 WeakPolarHBondContact O-CG 3.4Å; I108-R112 PolarHBondContact O-N 2.94Å; I108-I121 HydrophobicContact CG1-CG2 4.1Å; I108-I121 HydrophobicContact CG2-CD1 4.1Å; I108-L148 HydrophobicContact CD1-CD1 3.53Å; I108-V150 HydrophobicContact CD1-CG2 4.38Å |
| 109 | D | 97.2 | Very high | 96.3 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.7 | -65.6 | -24 | 0 | 0 | 0 | 111.6 | T105 K106 V111 R112 T113 | T105-D109 VanDerWaalsContact O-CG 3.25Å; T105-D109 PolarHBondContact O-N 3.33Å; K106-D109 PolarHBondContact O-N 3.49Å; D109-V111 VanDerWaalsContact C-N 3.29Å; D109-V111 PolarHBondContact O-N 2.85Å; D109-R112 PolarHBondContact O-N 2.84Å; D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.48Å; D109-T113 PolarHBondContact O-OG1 3.03Å |
| 110 | D | 96.4 | Very high | 96.2 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 172.7 | -69 | -20.4 | 0 | 0 | 0 | 110.4 | K106 T113 E114 | K106-D110 VanDerWaalsContact O-CG 3.25Å; K106-D110 PolarHBondContact O-N 2.9Å; D110-T113 PolarHBondContact O-N 3.22Å; D110-E114 WeakPolarHBondContact O-CG 3.28Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.1Å |
| 111 | V | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.2 | 169 | 0 | 0 | 0 | 0 | 111.7 | L19 I83 A89 W107 I108 D109 T113 E114 R115 V119 I121 | L19-V111 HydrophobicContact CD1-CG2 3.29Å; I83-V111 HydrophobicContact CD1-CG2 4.03Å; I83-V111 HydrophobicContact CG1-CG2 4.49Å; I83-V111 HydrophobicContact CG2-CB 4.38Å; I83-V111 HydrophobicContact CG2-CG1 4.39Å; I83-V111 HydrophobicContact CG2-CG2 4.24Å; A89-V111 HydrophobicContact CB-CB 4.42Å; A89-V111 HydrophobicContact CB-CG1 3.8Å; A89-V111 HydrophobicContact CB-CG2 3.68Å; W107-V111 VanDerWaalsContact O-CG2 3.27Å; W107-V111 WeakPolarHBondContact O-CG2 3.46Å; W107-V111 PolarHBondContact O-N 2.82Å; W107-V111 VanDerWaalsContact O-N 3.11Å; I108-V111 WeakPolarHBondContact O-CB 3.45Å; I108-V111 PolarHBondContact O-N 2.95Å; D109-V111 VanDerWaalsContact C-N 3.29Å; D109-V111 PolarHBondContact O-N 2.85Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.3Å; V111-E114 PolarHBondContact O-N 3.08Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 PolarHBondContact O-N 3.04Å; V111-V119 HydrophobicContact CG1-CB 4.38Å; V111-V119 HydrophobicContact CG1-CG1 3.47Å; V111-V119 VanDerWaalsContact CG1-CG1 3.47Å; V111-V119 HydrophobicContact CG1-CG2 4.04Å; V111-I121 HydrophobicContact CB-CD1 4.31Å; V111-I121 HydrophobicContact CG1-CD1 3.66Å; V111-I121 HydrophobicContact CG1-CG1 3.95Å |
| 112 | R | 97 | Very high | 96.2 | Very high | 89 Ų | 89 | 55.3 Ų | 55.3 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 179.4 | -74.2 | 173.3 | 165.4 | 172.8 | -5.2 | 112.8 | I108 D109 G116 I121 L148 | I108-R112 WeakPolarHBondContact O-CG 3.4Å; I108-R112 PolarHBondContact O-N 2.94Å; D109-R112 PolarHBondContact O-N 2.84Å; R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.03Å; R112-I121 HydrophobicContact CG-CD1 4.26Å; R112-L148 PolarHBondContact NH2-O 3.38Å |
| 113 | T | 96.7 | Very high | 96.2 | Very high | 114 Ų | 114 | 50 Ų | 50 | 70% | 0.699 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 177.7 | -59.8 | 0 | 0 | 0 | 0 | 111 | D109 D110 V111 | D109-T113 WeakPolarHBondContact O-CB 3.38Å; D109-T113 PolarHBondContact O-N 3.48Å; D109-T113 PolarHBondContact O-OG1 3.03Å; D110-T113 PolarHBondContact O-N 3.22Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.3Å |
| 114 | E | 96.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -82.6 | -32.1 | -177 | -67.3 | -62.7 | 151.1 | 0 | 0 | 113.6 | P80 I83 R84 D110 V111 | P80-E114 HydrophobicContact CB-CG 4.1Å; I83-E114 HydrophobicContact CB-CB 4.09Å; I83-E114 HydrophobicContact CB-CG 4.49Å; I83-E114 HydrophobicContact CG2-CB 3.62Å; I83-E114 HydrophobicContact CG2-CG 4.4Å; R84-E114 WeakPolarHBondContact CD-OE2 3.45Å; R84-E114 HydrophobicContact CG-CB 3.94Å; R84-E114 VanDerWaalsContact CG-OE2 3.32Å; R84-E114 WeakPolarHBondContact CG-OE2 3.38Å; R84-E114 IonicContact CZ-OE2 3.64Å; R84-E114 IonicContact NE-OE2 3.58Å; R84-E114 IonicContact NH1-OE2 2.71Å; R84-E114 PolarHBondContact NH1-OE2 3.41Å; D110-E114 WeakPolarHBondContact O-CG 3.28Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.1Å; V111-E114 PolarHBondContact O-N 3.08Å |
| 115 | R | 94.9 | Very high | 96.3 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -116.2 | -11.8 | -172.9 | -96.9 | -62.1 | -139.7 | -169.5 | -2.3 | 115.9 | I83 R84 D85 S86 V111 V119 | I83-R115 HydrophobicContact CG2-CB 4.38Å; I83-R115 HydrophobicContact CG2-CG 4.06Å; I83-R115 WeakPolarHBondContact O-CG 3.39Å; R84-R115 WeakPolarHBondContact O-CD 3.26Å; R84-R115 PolarHBondContact O-NE 3.36Å; R84-R115 PolarHBondContact O-NH1 2.84Å; R84-R115 VanDerWaalsContact O-NH1 3.14Å; R84-R115 PolarHBondContact O-NH2 2.83Å; D85-R115 PolarHBondContact O-NH2 2.96Å; S86-R115 VanDerWaalsContact O-CZ 3.26Å; S86-R115 PolarHBondContact O-NE 2.91Å; S86-R115 PolarHBondContact O-NH2 3.44Å; V111-R115 WeakPolarHBondContact O-CB 3.41Å; V111-R115 PolarHBondContact O-N 3.04Å; R115-V119 HydrophobicContact CB-CB 3.85Å; R115-V119 HydrophobicContact CB-CG1 3.75Å; R115-V119 HydrophobicContact CG-CB 4.25Å |
| 116 | G | 92.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 45 Ų | 45 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -149.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R112 V119 | R112-G116 WeakPolarHBondContact O-CA 3.41Å; R112-G116 PolarHBondContact O-N 3.03Å; G116-V119 WeakPolarHBondContact O-CG1 3.49Å |
| 117 | S | 89.1 | Confident | 96.4 | Very high | 119 Ų | 119 | 42.6 Ų | 42.6 | 83% | 0.832 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.5 | -175.2 | -58 | 0 | 0 | 0 | 0 | 114.5 | V119 | S117-V119 PolarHBondContact O-N 3.3Š|
| 118 | D | 87.3 | Confident | 96.5 | Very high | 154 Ų | 154 | 43.6 Ų | 43.6 | 82% | 0.824 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -79.8 | -2.3 | -176.1 | -65.4 | -23.4 | 0 | 0 | 0 | 113.5 | ||
| 119 | V | 94.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -92.7 | 132.2 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | A89 V111 R115 G116 S117 I121 | A89-V119 HydrophobicContact CB-CG2 4.21Å; V111-V119 HydrophobicContact CG1-CB 4.38Å; V111-V119 HydrophobicContact CG1-CG1 3.47Å; V111-V119 VanDerWaalsContact CG1-CG1 3.47Å; V111-V119 HydrophobicContact CG1-CG2 4.04Å; R115-V119 HydrophobicContact CB-CB 3.85Å; R115-V119 HydrophobicContact CB-CG1 3.75Å; R115-V119 HydrophobicContact CG-CB 4.25Å; G116-V119 WeakPolarHBondContact O-CG1 3.49Å; S117-V119 PolarHBondContact O-N 3.3Å; V119-I121 HydrophobicContact CG1-CD1 4.22Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; V119-I121 PolarHBondContact O-N 2.84Å |
| 120 | I | 97.1 | Very high | 96.5 | Very high | 30 Ų | 30 | 45 Ų | 45 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 122.7 | 172.8 | -65.6 | 161.6 | 0 | 0 | 0 | 108.5 | T87 V88 A89 M151 A173 L174 | T87-I120 PolarHBondContact O-N 3.11Å; T87-I120 VanDerWaalsContact O-N 3.09Å; V88-I120 CarbonylContact C-O 3.6Å; V88-I120 VanDerWaalsContact CA-O 3.25Å; V88-I120 WeakPolarHBondContact CA-O 3.15Å; V88-I120 HydrophobicContact CG1-CB 4.5Å; V88-I120 HydrophobicContact CG1-CG2 4.36Å; V88-I120 HydrophobicContact CG2-CB 4.12Å; V88-I120 HydrophobicContact CG2-CD1 4.28Å; V88-I120 HydrophobicContact CG2-CG2 4.48Å; A89-I120 PolarHBondContact N-O 2.9Å; I120-M151 HydrophobicContact CG2-CE 3.12Å; I120-A173 HydrophobicContact CD1-CB 4.02Å; I120-A173 WeakPolarHBondContact CD1-O 3.3Å; I120-A173 HydrophobicContact CG2-CB 4.17Å; I120-L174 HydrophobicContact CD1-CD2 4.15Å |
| 121 | I | 98.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.6 | 179.4 | -51.2 | -179.4 | 0 | 0 | 0 | 109.7 | A89 V91 I108 V111 R112 V119 V150 M151 | A89-I121 WeakPolarHBondContact O-CA 3.37Å; V91-I121 HydrophobicContact CG2-CG2 4.24Å; I108-I121 HydrophobicContact CG1-CG2 4.1Å; I108-I121 HydrophobicContact CG2-CD1 4.1Å; V111-I121 HydrophobicContact CB-CD1 4.31Å; V111-I121 HydrophobicContact CG1-CD1 3.66Å; V111-I121 HydrophobicContact CG1-CG1 3.95Å; R112-I121 HydrophobicContact CG-CD1 4.26Å; V119-I121 HydrophobicContact CG1-CD1 4.22Å; V119-I121 HydrophobicContact CG1-CG1 4.07Å; V119-I121 PolarHBondContact O-N 2.84Å; I121-V150 HydrophobicContact CB-CB 4.04Å; I121-V150 HydrophobicContact CB-CG1 3.63Å; I121-V150 HydrophobicContact CD1-CG1 4.24Å; I121-V150 HydrophobicContact CG1-CG1 4.45Å; I121-V150 HydrophobicContact CG2-CB 4.07Å; I121-V150 HydrophobicContact CG2-CG1 3.72Å; I121-M151 PolarHBondContact O-N 3.26Å |
| 122 | M | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.1 | 175.2 | 177.5 | 66.7 | 74.6 | 0 | 0 | 109.5 | A89 V90 V91 V124 M151 I153 L166 R169 V170 | A89-M122 PolarHBondContact O-N 3.32Å; V90-M122 CarbonylContact C-O 3.5Å; V90-M122 WeakPolarHBondContact CA-O 3.41Å; V91-M122 PolarHBondContact N-O 2.87Å; M122-V124 HydrophobicContact CG-CG2 3.74Å; M122-M151 HydrophobicContact CE-CB 3.53Å; M122-M151 HydrophobicContact CE-CE 3.77Å; M122-M151 HydrophobicContact CE-CG 4.22Å; M122-M151 HydrophobicContact CE-SD 3.59Å; M122-M151 VanDerWaalsContact CE-SD 3.59Å; M122-M151 HydrophobicContact SD-CB 3.52Å; M122-M151 VanDerWaalsContact SD-CB 3.52Å; M122-I153 HydrophobicContact CG-CG2 4.46Å; M122-I153 HydrophobicContact SD-CB 4.48Å; M122-I153 HydrophobicContact SD-CG2 3.87Å; M122-L166 HydrophobicContact CE-CD1 4.42Å; M122-L166 HydrophobicContact CG-CD1 3.48Å; M122-L166 VanDerWaalsContact CG-CD1 3.48Å; M122-L166 HydrophobicContact SD-CD1 4.24Å; M122-R169 HydrophobicContact CE-CB 3.85Å; M122-V170 HydrophobicContact CB-CG2 4.36Å; M122-V170 HydrophobicContact CE-CG2 4.13Å; M122-V170 HydrophobicContact CG-CG2 4.43Å |
| 123 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.7 | 170.7 | -178.2 | 64.1 | 0 | 0 | 0 | 109.7 | V91 Y93 T104 K144 A145 V150 M151 F152 I153 | V91-L123 HydrophobicContact CG1-CD1 4.41Å; V91-L123 CarbonylContact O-C 3.53Å; V91-L123 WeakPolarHBondContact O-CA 3.25Å; Y93-L123 HydrophobicContact CD1-CD1 3.9Å; Y93-L123 HydrophobicContact CD1-CG 4.37Å; Y93-L123 HydrophobicContact CE1-CD1 4.13Å; Y93-L123 HydrophobicContact CE1-CD2 4.47Å; Y93-L123 HydrophobicContact CE1-CG 4.1Å; T104-L123 HydrophobicContact CG2-CD1 3.8Å; L123-K144 HydrophobicContact CD2-CG 4.49Å; L123-A145 HydrophobicContact CD2-CB 4.17Å; L123-V150 HydrophobicContact CB-CG2 4.05Å; L123-M151 PolarHBondContact N-O 2.96Å; L123-F152 HydrophobicContact CB-CD2 4.25Å; L123-F152 HydrophobicContact CD2-CD2 4.14Å; L123-F152 HydrophobicContact CG-CD2 4.09Å; L123-F152 WeakPolarHBondContact O-CA 3.47Å; L123-F152 WeakPolarHBondContact O-CD2 3.18Å; L123-I153 PolarHBondContact O-N 3.35Å; L123-I153 VanDerWaalsContact O-N 3.15Å |
| 124 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 116 | -175.4 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | L29 V90 V91 V92 Y93 M122 I153 T155 L166 | L29-V124 HydrophobicContact CD1-CG1 4.15Å; V90-V124 HydrophobicContact CG1-CG2 3.57Å; V91-V124 PolarHBondContact O-N 2.98Å; V92-V124 WeakPolarHBondContact CA-O 3.48Å; V92-V124 HydrophobicContact CG1-CB 4.47Å; V92-V124 HydrophobicContact CG2-CB 4.29Å; Y93-V124 VanDerWaalsContact CD1-O 3.25Å; Y93-V124 WeakPolarHBondContact CD1-O 3.31Å; Y93-V124 PolarHBondContact N-O 3.25Å; M122-V124 HydrophobicContact CG-CG2 3.74Å; V124-I153 VanDerWaalsContact CA-O 3.3Å; V124-I153 WeakPolarHBondContact CA-O 3.44Å; V124-I153 HydrophobicContact CG2-CG2 4.13Å; V124-T155 HydrophobicContact CG1-CG2 3.87Å; V124-T155 VanDerWaalsContact CG1-OG1 3.31Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.2Å; V124-L166 HydrophobicContact CG1-CD2 4.48Å; V124-L166 HydrophobicContact CG2-CD1 3.68Å; V124-L166 HydrophobicContact CG2-CD2 4.19Å |
| 125 | G | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 105 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | I153 E154 T155 | G125-I153 PolarHBondContact N-O 3.1Å; G125-I153 VanDerWaalsContact N-O 3.09Å; G125-E154 CarbonylContact O-C 3.46Å; G125-E154 WeakPolarHBondContact O-CA 3.45Å; G125-E154 WeakPolarHBondContact O-CB 3.21Å; G125-T155 PolarHBondContact O-N 2.81Å |
| 126 | N | 98.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 165.4 | -176.1 | -168.8 | 35.9 | 0 | 0 | 0 | 112.6 | V24 L29 V92 Y93 I95 T155 A157 | V24-N126 PolarHBondContact O-ND2 3.11Å; L29-N126 HydrophobicContact CD1-CB 4.36Å; V92-N126 HydrophobicContact CG1-CB 3.79Å; Y93-N126 WeakPolarHBondContact O-CB 3.49Å; Y93-N126 PolarHBondContact O-N 2.86Å; I95-N126 WeakPolarHBondContact CG1-O 3.22Å; I95-N126 WeakPolarHBondContact CG2-O 2.83Å; I95-N126 PolarHBondContact N-O 2.88Å; N126-T155 CarbonylContact C-O 3.42Å; N126-T155 VanDerWaalsContact CA-O 3.28Å; N126-T155 WeakPolarHBondContact CA-O 3.4Å; N126-T155 PolarHBondContact OD1-O 3.28Å; N126-T155 PolarHBondContact OD1-OG1 2.8Å; N126-T155 VanDerWaalsContact OD1-OG1 3.12Å; N126-A157 PolarHBondContact OD1-N 3.41Å |
| 127 | K | 98.5 | Very high | 97.2 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | trans | 73 | 37 | 179.7 | -46.1 | -167.8 | -165.4 | 169.4 | 0 | 114.4 | S23 D94 I95 D129 L130 T155 | S23-K127 WeakPolarHBondContact O-CE 3.42Å; S23-K127 PolarHBondContact O-NZ 3.32Å; D94-K127 HydrophobicContact CB-CD 4.34Å; D94-K127 WeakPolarHBondContact OD2-CD 3.42Å; D94-K127 WeakPolarHBondContact OD2-CE 3.49Å; D94-K127 IonicContact OD2-NZ 2.76Å; D94-K127 PolarHBondContact OD2-NZ 3.11Å; I95-K127 WeakPolarHBondContact CD1-O 3.44Å; K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.27Å; K127-D129 VanDerWaalsContact O-N 3.08Å; K127-L130 HydrophobicContact CB-CD1 4.26Å; K127-L130 HydrophobicContact CD-CD1 4.23Å; K127-L130 PolarHBondContact O-N 2.89Å; K127-T155 PolarHBondContact N-O 3.47Å | ||
| 128 | T | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.7 | -13.6 | 174.5 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | I95 L130 A131 E154 T155 S156 | I95-T128 HydrophobicContact CD1-CG2 4.33Å; T128-L130 PolarHBondContact O-N 3.34Å; T128-A131 PolarHBondContact O-N 3.25Å; T128-E154 HydrophobicContact CG2-CB 3.7Å; T128-E154 HydrophobicContact CG2-CG 4.45Å; T128-E154 WeakPolarHBondContact CG2-OE2 3.39Å; T128-T155 PolarHBondContact N-O 3.09Å; T128-T155 PolarHBondContact OG1-O 2.88Å; T128-S156 WeakPolarHBondContact OG1-CB 3.36Å |
| 129 | D | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -65 | -13.7 | 168.3 | 56.6 | -73.5 | 0 | 0 | 0 | 113.8 | K127 S156 K158 A159 | K127-D129 WeakPolarHBondContact CA-OD1 3.37Å; K127-D129 PolarHBondContact O-N 3.27Å; K127-D129 VanDerWaalsContact O-N 3.08Å; D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.41Å; D129-S156 PolarHBondContact OD1-OG 2.71Å; D129-K158 WeakPolarHBondContact OD2-CD 3.45Å; D129-A159 HydrophobicContact CB-CB 4.41Å |
| 130 | L | 97.9 | Very high | 98.4 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -107.5 | 37 | 176.5 | -56.4 | 178.3 | 0 | 0 | 0 | 111.7 | T96 K127 T128 D132 K133 R134 | T96-L130 HydrophobicContact CG2-CB 3.59Å; T96-L130 HydrophobicContact CG2-CD1 4.12Å; K127-L130 HydrophobicContact CB-CD1 4.26Å; K127-L130 HydrophobicContact CD-CD1 4.23Å; K127-L130 PolarHBondContact O-N 2.89Å; T128-L130 PolarHBondContact O-N 3.34Å; L130-D132 VanDerWaalsContact C-OD1 3.24Å; L130-D132 WeakPolarHBondContact CA-OD1 3.33Å; L130-D132 PolarHBondContact O-N 3.15Å; L130-K133 CarbonylContact O-C 3.56Å; L130-K133 WeakPolarHBondContact O-CA 3.16Å; L130-K133 PolarHBondContact O-N 2.96Å; L130-R134 PolarHBondContact O-N 2.88Å |
| 131 | A | 97.1 | Very high | 98.4 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 49% | 0.488 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -57.9 | -29.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | T128 K133 R134 | T128-A131 PolarHBondContact O-N 3.25Å; A131-K133 PolarHBondContact O-N 3.1Å; A131-R134 WeakPolarHBondContact O-CB 3.4Å; A131-R134 PolarHBondContact O-N 3.39Å; A131-R134 VanDerWaalsContact O-N 3.15Å |
| 132 | D | 98 | Very high | 98.4 | Very high | 133 Ų | 133 | 51.8 Ų | 51.8 | 71% | 0.711 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.3 | 172.7 | 56.2 | -51.5 | 0 | 0 | 0 | 113.5 | L130 | L130-D132 VanDerWaalsContact C-OD1 3.24Å; L130-D132 WeakPolarHBondContact CA-OD1 3.33Å; L130-D132 PolarHBondContact O-N 3.15Å |
| 133 | K | 98.2 | Very high | 98.4 | Very high | 128 Ų | 128 | 58.3 Ų | 58.3 | 56% | 0.557 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -110.5 | 13.2 | 177 | -61.4 | 177.8 | -174.9 | 178 | 0 | 112.5 | T96 L130 A131 Q135 | T96-K133 WeakPolarHBondContact CA-O 3.49Å; T96-K133 WeakPolarHBondContact CB-O 3.27Å; T96-K133 HydrophobicContact CG2-CB 3.85Å; L130-K133 CarbonylContact O-C 3.56Å; L130-K133 WeakPolarHBondContact O-CA 3.16Å; L130-K133 PolarHBondContact O-N 2.96Å; A131-K133 PolarHBondContact O-N 3.1Å; K133-Q135 PolarHBondContact O-N 2.86Å |
| 134 | R | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | trans | -58.2 | 130.2 | -178.9 | 179.2 | 178.4 | -73.3 | -90 | 9 | 110.2 | I95 L130 A131 V136 E154 | I95-R134 HydrophobicContact CD1-CB 4.25Å; I95-R134 HydrophobicContact CD1-CG 4.31Å; L130-R134 PolarHBondContact O-N 2.88Å; A131-R134 WeakPolarHBondContact O-CB 3.4Å; A131-R134 PolarHBondContact O-N 3.39Å; A131-R134 VanDerWaalsContact O-N 3.15Å; R134-V136 WeakPolarHBondContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CG-O 3.44Å; R134-V136 PolarHBondContact NH1-O 3.36Å; R134-E154 IonicContact CZ-OE1 3.9Å; R134-E154 IonicContact CZ-OE2 3.41Å; R134-E154 IonicContact NH1-OE1 3.67Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.69Å; R134-E154 IonicContact NH2-OE1 2.9Å; R134-E154 PolarHBondContact NH2-OE1 3.08Å; R134-E154 IonicContact NH2-OE2 2.67Å; R134-E154 PolarHBondContact NH2-OE2 2.98Å | ||
| 135 | Q | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | trans | -115.5 | -14.7 | 173.4 | -58.5 | -174.9 | -10.4 | 0 | 0 | 112.7 | I95 T96 V98 K133 | I95-Q135 PolarHBondContact O-N 3.34Å; T96-Q135 WeakPolarHBondContact O-CG 3.5Å; T96-Q135 PolarHBondContact O-NE2 3.1Å; T96-Q135 PolarHBondContact O-OE1 3.41Å; T96-Q135 VanDerWaalsContact O-OE1 3.09Å; V98-Q135 HydrophobicContact CG2-CB 3.43Å; V98-Q135 VanDerWaalsContact CG2-CB 3.43Å; V98-Q135 HydrophobicContact CG2-CG 4.47Å; V98-Q135 WeakPolarHBondContact CG2-O 3.41Å; K133-Q135 PolarHBondContact O-N 2.86Å | ||
| 136 | V | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -120.6 | 121.9 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | Y93 I95 V98 F101 R134 E140 | Y93-V136 HydrophobicContact CE2-CB 4.15Å; Y93-V136 HydrophobicContact CE2-CG1 3.91Å; I95-V136 PolarHBondContact O-N 2.77Å; I95-V136 VanDerWaalsContact O-N 3.1Å; V98-V136 HydrophobicContact CB-CG2 4.49Å; V98-V136 HydrophobicContact CG2-CG2 3.97Å; F101-V136 HydrophobicContact CB-CG1 4.38Å; F101-V136 HydrophobicContact CB-CG2 3.72Å; F101-V136 HydrophobicContact CD1-CG1 3.91Å; F101-V136 HydrophobicContact CD1-CG2 4.14Å; F101-V136 HydrophobicContact CD2-CG1 3.86Å; F101-V136 HydrophobicContact CE1-CG1 4.07Å; F101-V136 HydrophobicContact CE2-CG1 4.02Å; F101-V136 HydrophobicContact CG-CG1 3.78Å; F101-V136 HydrophobicContact CG-CG2 3.96Å; F101-V136 HydrophobicContact CZ-CG1 4.11Å; R134-V136 WeakPolarHBondContact CD-O 3.28Å; R134-V136 WeakPolarHBondContact CG-O 3.44Å; R134-V136 PolarHBondContact NH1-O 3.36Å; V136-E140 WeakPolarHBondContact CA-OE2 3.45Å; V136-E140 HydrophobicContact CG1-CB 4.03Å |
| 137 | S | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 73.6 Ų | 73.6 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | trans | -73.1 | 162.1 | 179.5 | 100.1 | 0 | 0 | 0 | 0 | 111.8 | E139 E140 G141 | S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.5Å; S137-E139 PolarHBondContact OG-OE2 3.35Å; S137-E140 PolarHBondContact N-OE2 2.78Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 PolarHBondContact OG-N 3.01Å; S137-E140 VanDerWaalsContact OG-N 3.1Å; S137-G141 PolarHBondContact O-N 3.16Å | ||
| 138 | I | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.1 | -60.6 | 173.8 | 0 | 0 | 0 | 109 | E140 G141 E142 F152 | I138-E140 VanDerWaalsContact C-N 3.31Å; I138-E140 PolarHBondContact O-N 2.55Å; I138-G141 WeakPolarHBondContact O-CA 3.31Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.1Å; I138-E142 HydrophobicContact CG2-CG 4.27Å; I138-E142 WeakPolarHBondContact O-CG 3.28Å; I138-E142 PolarHBondContact O-N 3.37Å; I138-F152 HydrophobicContact CG2-CE1 4.28Å |
| 139 | E | 98.5 | Very high | 98.2 | Very high | 123 Ų | 123 | 78.4 Ų | 78.4 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.3 | -36.8 | 179.4 | -55.6 | 74.7 | -163.6 | 0 | 0 | 111.7 | S137 R143 | S137-E139 VanDerWaalsContact C-N 3.27Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.5Å; S137-E139 PolarHBondContact OG-OE2 3.35Å; E139-R143 WeakPolarHBondContact O-CB 3.25Å; E139-R143 PolarHBondContact O-N 2.8Å |
| 140 | E | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 76.9 Ų | 76.9 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.2 | -70.5 | 179 | 126.1 | 0 | 0 | 111.7 | F101 V136 S137 I138 K144 | F101-E140 HydrophobicContact CE1-CB 4.47Å; F101-E140 HydrophobicContact CZ-CB 4.27Å; V136-E140 WeakPolarHBondContact CA-OE2 3.45Å; V136-E140 HydrophobicContact CG1-CB 4.03Å; S137-E140 PolarHBondContact N-OE2 2.78Å; S137-E140 PolarHBondContact O-N 2.87Å; S137-E140 PolarHBondContact OG-N 3.01Å; S137-E140 VanDerWaalsContact OG-N 3.1Å; I138-E140 VanDerWaalsContact C-N 3.31Å; I138-E140 PolarHBondContact O-N 2.55Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 3.35Å |
| 141 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S137 I138 K144 A145 | S137-G141 PolarHBondContact O-N 3.16Å; I138-G141 WeakPolarHBondContact O-CA 3.31Å; I138-G141 PolarHBondContact O-N 3.1Å; I138-G141 VanDerWaalsContact O-N 3.1Å; G141-K144 PolarHBondContact O-N 3.06Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.8Å |
| 142 | E | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 76 Ų | 76 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177.6 | -72.4 | -177.4 | 160.8 | 0 | 0 | 112.1 | I138 A145 K146 F152 | I138-E142 HydrophobicContact CG2-CG 4.27Å; I138-E142 WeakPolarHBondContact O-CG 3.28Å; I138-E142 PolarHBondContact O-N 3.37Å; E142-A145 PolarHBondContact O-N 2.86Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.12Å; E142-F152 HydrophobicContact CB-CD1 4.41Å; E142-F152 HydrophobicContact CG-CD1 3.5Å; E142-F152 HydrophobicContact CG-CE1 3.55Å |
| 143 | R | 98.6 | Very high | 98.3 | Very high | 137 Ų | 137 | 70 Ų | 70 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 177.1 | -179.2 | 178.6 | 66.9 | 98 | -6.2 | 110.6 | E139 A145 K146 E147 | E139-R143 WeakPolarHBondContact O-CB 3.25Å; E139-R143 PolarHBondContact O-N 2.8Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.05Å; R143-K146 PolarHBondContact O-N 3.27Å; R143-E147 HydrophobicContact CG-CG 4.36Å; R143-E147 VanDerWaalsContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact CG-OE1 3.11Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 IonicContact NH1-OE1 3.76Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 3.52Å; R143-E147 WeakPolarHBondContact O-CB 3.16Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 3.16Å |
| 144 | K | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.3 | -174.3 | 170.2 | -170 | 171.4 | 0 | 111.8 | F101 Q102 T104 T105 L123 E140 G141 K146 E147 L148 | F101-K144 HydrophobicContact CD2-CD 4.29Å; F101-K144 HydrophobicContact CE1-CD 4.06Å; F101-K144 HydrophobicContact CE2-CB 4.14Å; F101-K144 HydrophobicContact CE2-CD 3.53Å; F101-K144 HydrophobicContact CE2-CG 4.42Å; F101-K144 HydrophobicContact CZ-CB 3.79Å; F101-K144 HydrophobicContact CZ-CD 3.4Å; F101-K144 HydrophobicContact CZ-CG 4.22Å; F101-K144 PolarHBondContact O-NZ 3.12Å; Q102-K144 PolarHBondContact O-NZ 2.71Å; T104-K144 WeakPolarHBondContact OG1-CE 3.47Å; T104-K144 PolarHBondContact OG1-NZ 3.29Å; T105-K144 WeakPolarHBondContact OG1-CE 3.46Å; T105-K144 PolarHBondContact OG1-NZ 2.95Å; L123-K144 HydrophobicContact CD2-CG 4.49Å; E140-K144 WeakPolarHBondContact O-CB 3.34Å; E140-K144 PolarHBondContact O-N 3.35Å; G141-K144 PolarHBondContact O-N 3.06Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.28Å; K144-E147 PolarHBondContact O-N 2.99Å; K144-L148 HydrophobicContact CG-CD1 3.85Å; K144-L148 HydrophobicContact CG-CG 4.42Å; K144-L148 WeakPolarHBondContact O-CB 3.33Å; K144-L148 WeakPolarHBondContact O-CG 3.05Å; K144-L148 PolarHBondContact O-N 2.81Å |
| 145 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L123 G141 E142 R143 L148 N149 V150 F152 | L123-A145 HydrophobicContact CD2-CB 4.17Å; G141-A145 WeakPolarHBondContact O-CB 3.49Å; G141-A145 PolarHBondContact O-N 2.8Å; E142-A145 PolarHBondContact O-N 2.86Å; R143-A145 VanDerWaalsContact C-N 3.33Å; R143-A145 PolarHBondContact O-N 3.05Å; A145-L148 CarbonylContact O-C 3.6Å; A145-L148 PolarHBondContact O-N 3.13Å; A145-N149 WeakPolarHBondContact O-CA 3.18Å; A145-N149 PolarHBondContact O-N 3.28Å; A145-V150 HydrophobicContact CB-CG2 4.01Å; A145-V150 PolarHBondContact O-N 3.09Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CD2 4.39Å; A145-F152 HydrophobicContact CB-CG 4.18Å |
| 146 | K | 98.3 | Very high | 98.3 | Very high | 180 Ų | 180 | 55.9 Ų | 55.9 | 78% | 0.783 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 175 | -175.3 | 178.8 | 179.1 | -179.8 | 0 | 112 | E142 R143 K144 L148 N149 | E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.12Å; R143-K146 PolarHBondContact O-N 3.27Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.28Å; K146-L148 VanDerWaalsContact C-N 3.27Å; K146-L148 PolarHBondContact O-N 3.46Å; K146-N149 PolarHBondContact O-N 3.29Å; K146-N149 VanDerWaalsContact O-N 3.07Å |
| 147 | E | 97.9 | Very high | 98.3 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.3 | -40.8 | 176.4 | -75.6 | 171 | -174.7 | 0 | 0 | 111.4 | R143 K144 N149 | R143-E147 HydrophobicContact CG-CG 4.36Å; R143-E147 VanDerWaalsContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact CG-OE1 3.11Å; R143-E147 IonicContact CZ-OE1 2.81Å; R143-E147 IonicContact NE-OE1 2.71Å; R143-E147 IonicContact NH1-OE1 3.76Å; R143-E147 PolarHBondContact NH1-OE1 2.88Å; R143-E147 IonicContact NH1-OE2 3.52Å; R143-E147 WeakPolarHBondContact O-CB 3.16Å; R143-E147 VanDerWaalsContact O-CG 3.31Å; R143-E147 WeakPolarHBondContact O-CG 3.41Å; R143-E147 PolarHBondContact O-N 3.16Å; K144-E147 PolarHBondContact O-N 2.99Å; E147-N149 VanDerWaalsContact C-N 3.34Å |
| 148 | L | 96.8 | Very high | 98.3 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0 | 177.8 | -62.8 | 176.5 | 0 | 0 | 0 | 113.1 | I108 R112 K144 A145 K146 V150 | I108-L148 HydrophobicContact CD1-CD1 3.53Å; R112-L148 PolarHBondContact NH2-O 3.38Å; K144-L148 HydrophobicContact CG-CD1 3.85Å; K144-L148 HydrophobicContact CG-CG 4.42Å; K144-L148 WeakPolarHBondContact O-CB 3.33Å; K144-L148 WeakPolarHBondContact O-CG 3.05Å; K144-L148 PolarHBondContact O-N 2.81Å; A145-L148 CarbonylContact O-C 3.6Å; A145-L148 PolarHBondContact O-N 3.13Å; K146-L148 VanDerWaalsContact C-N 3.27Å; K146-L148 PolarHBondContact O-N 3.46Å; L148-V150 HydrophobicContact CB-CG1 4.3Å; L148-V150 HydrophobicContact CB-CG2 4.25Å; L148-V150 WeakPolarHBondContact O-CG1 3.21Å; L148-V150 PolarHBondContact O-N 3.5Å |
| 149 | N | 96.7 | Very high | 98.3 | Very high | 144 Ų | 144 | 59.4 Ų | 59.4 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 52.9 | -175.8 | -169.4 | 41 | 0 | 0 | 0 | 113.4 | A145 K146 E147 | A145-N149 WeakPolarHBondContact O-CA 3.18Å; A145-N149 PolarHBondContact O-N 3.28Å; K146-N149 PolarHBondContact O-N 3.29Å; K146-N149 VanDerWaalsContact O-N 3.07Å; E147-N149 VanDerWaalsContact C-N 3.34Å |
| 150 | V | 98 | Very high | 98.2 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | trans | -127.1 | 160.6 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 110.5 | I108 I121 L123 A145 L148 | I108-V150 HydrophobicContact CD1-CG2 4.38Å; I121-V150 HydrophobicContact CB-CB 4.04Å; I121-V150 HydrophobicContact CB-CG1 3.63Å; I121-V150 HydrophobicContact CD1-CG1 4.24Å; I121-V150 HydrophobicContact CG1-CG1 4.45Å; I121-V150 HydrophobicContact CG2-CB 4.07Å; I121-V150 HydrophobicContact CG2-CG1 3.72Å; L123-V150 HydrophobicContact CB-CG2 4.05Å; A145-V150 HydrophobicContact CB-CG2 4.01Å; A145-V150 PolarHBondContact O-N 3.09Å; L148-V150 HydrophobicContact CB-CG1 4.3Å; L148-V150 HydrophobicContact CB-CG2 4.25Å; L148-V150 WeakPolarHBondContact O-CG1 3.21Å; L148-V150 PolarHBondContact O-N 3.5Å | ||
| 151 | M | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 30% | 0.296 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 156.2 | 173.8 | -69.7 | -170.4 | -81.3 | 0 | 0 | 111.4 | I120 I121 M122 L123 A173 | I120-M151 HydrophobicContact CG2-CE 3.12Å; I121-M151 PolarHBondContact O-N 3.26Å; M122-M151 HydrophobicContact CE-CB 3.53Å; M122-M151 HydrophobicContact CE-CE 3.77Å; M122-M151 HydrophobicContact CE-CG 4.22Å; M122-M151 HydrophobicContact CE-SD 3.59Å; M122-M151 VanDerWaalsContact CE-SD 3.59Å; M122-M151 HydrophobicContact SD-CB 3.52Å; M122-M151 VanDerWaalsContact SD-CB 3.52Å; L123-M151 PolarHBondContact N-O 2.96Å; M151-A173 HydrophobicContact CE-CB 3.72Å; M151-A173 HydrophobicContact SD-CB 4.21Å |
| 152 | F | 98.7 | Very high | 98.2 | Very high | 29 Ų | 29 | 59.5 Ų | 59.5 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.2 | 178.5 | -178.8 | -113.2 | 0 | 0 | 0 | 113.1 | Y93 L123 I138 E142 A145 E154 R169 | Y93-F152 HydrophobicContact CE1-CE2 4.2Å; L123-F152 HydrophobicContact CB-CD2 4.25Å; L123-F152 HydrophobicContact CD2-CD2 4.14Å; L123-F152 HydrophobicContact CG-CD2 4.09Å; L123-F152 WeakPolarHBondContact O-CA 3.47Å; L123-F152 WeakPolarHBondContact O-CD2 3.18Å; I138-F152 HydrophobicContact CG2-CE1 4.28Å; E142-F152 HydrophobicContact CB-CD1 4.41Å; E142-F152 HydrophobicContact CG-CD1 3.5Å; E142-F152 HydrophobicContact CG-CE1 3.55Å; A145-F152 HydrophobicContact CB-CB 3.58Å; A145-F152 HydrophobicContact CB-CD2 4.39Å; A145-F152 HydrophobicContact CB-CG 4.18Å; F152-E154 HydrophobicContact CE1-CG 4.11Å; F152-E154 HydrophobicContact CE2-CG 4.42Å; F152-E154 HydrophobicContact CZ-CG 3.6Å; F152-R169 PolarHBondContact O-NH1 2.82Å |
| 153 | I | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 146.7 | 166 | -169.8 | 165.6 | 0 | 0 | 0 | 110.5 | M122 L123 V124 G125 T155 N162 Q165 L166 | M122-I153 HydrophobicContact CG-CG2 4.46Å; M122-I153 HydrophobicContact SD-CB 4.48Å; M122-I153 HydrophobicContact SD-CG2 3.87Å; L123-I153 PolarHBondContact O-N 3.35Å; L123-I153 VanDerWaalsContact O-N 3.15Å; V124-I153 VanDerWaalsContact CA-O 3.3Å; V124-I153 WeakPolarHBondContact CA-O 3.44Å; V124-I153 HydrophobicContact CG2-CG2 4.13Å; G125-I153 PolarHBondContact N-O 3.1Å; G125-I153 VanDerWaalsContact N-O 3.09Å; I153-T155 HydrophobicContact CG2-CG2 4.33Å; I153-N162 HydrophobicContact CD1-CB 3.89Å; I153-N162 HydrophobicContact CG1-CB 4.18Å; I153-Q165 HydrophobicContact CD1-CB 4.02Å; I153-Q165 HydrophobicContact CD1-CG 3.87Å; I153-L166 HydrophobicContact CG2-CB 4.19Å; I153-L166 HydrophobicContact CG2-CD1 3.74Å |
| 154 | E | 98.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 144.4 | 165.5 | -65.3 | -158.9 | 149.1 | 0 | 0 | 112.2 | G125 T128 R134 F152 N162 | G125-E154 CarbonylContact O-C 3.46Å; G125-E154 WeakPolarHBondContact O-CA 3.45Å; G125-E154 WeakPolarHBondContact O-CB 3.21Å; T128-E154 HydrophobicContact CG2-CB 3.7Å; T128-E154 HydrophobicContact CG2-CG 4.45Å; T128-E154 WeakPolarHBondContact CG2-OE2 3.39Å; R134-E154 IonicContact CZ-OE1 3.9Å; R134-E154 IonicContact CZ-OE2 3.41Å; R134-E154 IonicContact NH1-OE1 3.67Å; R134-E154 PolarHBondContact NH1-OE1 2.84Å; R134-E154 IonicContact NH1-OE2 3.69Å; R134-E154 IonicContact NH2-OE1 2.9Å; R134-E154 PolarHBondContact NH2-OE1 3.08Å; R134-E154 IonicContact NH2-OE2 2.67Å; R134-E154 PolarHBondContact NH2-OE2 2.98Å; F152-E154 HydrophobicContact CE1-CG 4.11Å; F152-E154 HydrophobicContact CE2-CG 4.42Å; F152-E154 HydrophobicContact CZ-CG 3.6Å; E154-N162 WeakPolarHBondContact O-CB 3.25Å; E154-N162 PolarHBondContact O-ND2 2.77Å |
| 155 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.8 | -176.1 | 60.3 | 0 | 0 | 0 | 0 | 112.2 | L29 V124 G125 N126 K127 T128 I153 Y161 N162 L166 | L29-T155 HydrophobicContact CD2-CG2 4.42Å; L29-T155 WeakPolarHBondContact CD2-OG1 3.19Å; V124-T155 HydrophobicContact CG1-CG2 3.87Å; V124-T155 VanDerWaalsContact CG1-OG1 3.31Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.2Å; G125-T155 PolarHBondContact O-N 2.81Å; N126-T155 CarbonylContact C-O 3.42Å; N126-T155 VanDerWaalsContact CA-O 3.28Å; N126-T155 WeakPolarHBondContact CA-O 3.4Å; N126-T155 PolarHBondContact OD1-O 3.28Å; N126-T155 PolarHBondContact OD1-OG1 2.8Å; N126-T155 VanDerWaalsContact OD1-OG1 3.12Å; K127-T155 PolarHBondContact N-O 3.47Å; T128-T155 PolarHBondContact N-O 3.09Å; T128-T155 PolarHBondContact OG1-O 2.88Å; I153-T155 HydrophobicContact CG2-CG2 4.33Å; T155-Y161 WeakPolarHBondContact CA-O 3.3Å; T155-N162 HydrophobicContact CG2-CB 4Å; T155-L166 HydrophobicContact CG2-CB 4.22Å; T155-L166 HydrophobicContact CG2-CD2 4.33Å |
| 156 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -125.7 | 112.7 | 157.5 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | T128 D129 K158 A159 G160 Y161 | T128-S156 WeakPolarHBondContact OG1-CB 3.36Å; D129-S156 WeakPolarHBondContact CB-OG 3.37Å; D129-S156 VanDerWaalsContact CG-OG 3.27Å; D129-S156 WeakPolarHBondContact OD1-CB 3.41Å; D129-S156 PolarHBondContact OD1-OG 2.71Å; S156-K158 PolarHBondContact O-N 2.79Å; S156-K158 PolarHBondContact OG-N 3.25Å; S156-A159 WeakPolarHBondContact OG-CB 3.38Å; S156-A159 PolarHBondContact OG-N 3.34Å; S156-G160 CarbonylContact O-C 3.38Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 2.71Å; S156-Y161 PolarHBondContact N-O 3.4Å; S156-Y161 PolarHBondContact O-N 3.29Å; S156-Y161 VanDerWaalsContact O-N 3.13Å | ||
| 157 | A | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L29 R32 F38 N126 | L29-A157 HydrophobicContact CD2-CB 3.91Å; L29-A157 HydrophobicContact CG-CB 4.13Å; R32-A157 PolarHBondContact NE-O 2.63Å; F38-A157 HydrophobicContact CD2-CB 4.23Å; F38-A157 HydrophobicContact CE2-CB 4.3Å; N126-A157 PolarHBondContact OD1-N 3.41Å |
| 158 | K | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -54.6 | -179.3 | -172.9 | -179 | -174.5 | -179.1 | 0 | 111.5 | R32 F38 D129 S156 G160 | R32-K158 PolarHBondContact NH2-O 3.4Å; F38-K158 HydrophobicContact CD1-CB 4.26Å; F38-K158 HydrophobicContact CD1-CG 3.89Å; F38-K158 HydrophobicContact CD2-CB 4.12Å; F38-K158 HydrophobicContact CE1-CB 4.08Å; F38-K158 HydrophobicContact CE1-CD 4.22Å; F38-K158 HydrophobicContact CE1-CG 3.77Å; F38-K158 HydrophobicContact CE2-CB 3.93Å; F38-K158 HydrophobicContact CG-CB 4.28Å; F38-K158 HydrophobicContact CG-CG 4.33Å; F38-K158 HydrophobicContact CZ-CB 3.92Å; F38-K158 HydrophobicContact CZ-CG 4.11Å; D129-K158 WeakPolarHBondContact OD2-CD 3.45Å; S156-K158 PolarHBondContact O-N 2.79Å; S156-K158 PolarHBondContact OG-N 3.25Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.42Å |
| 159 | A | 97.5 | Very high | 97.5 | Very high | 74 Ų | 74 | 53.7 Ų | 53.7 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D129 S156 Y161 | D129-A159 HydrophobicContact CB-CB 4.41Å; S156-A159 WeakPolarHBondContact OG-CB 3.38Å; S156-A159 PolarHBondContact OG-N 3.34Å; A159-Y161 PolarHBondContact O-N 3.01Å |
| 160 | G | 97.8 | Very high | 97.4 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | trans | 75.1 | 1.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S156 K158 N162 V163 | S156-G160 CarbonylContact O-C 3.38Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 2.71Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.42Å; G160-N162 PolarHBondContact O-N 2.85Å; G160-V163 PolarHBondContact O-N 2.91Å | ||
| 161 | Y | 98.5 | Very high | 97.1 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 49% | 0.49 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 128.4 | -178.2 | 178 | -104.2 | 0 | 0 | 0 | 111.2 | T155 S156 A159 V163 | T155-Y161 WeakPolarHBondContact CA-O 3.3Å; S156-Y161 PolarHBondContact N-O 3.4Å; S156-Y161 PolarHBondContact O-N 3.29Å; S156-Y161 VanDerWaalsContact O-N 3.13Å; A159-Y161 PolarHBondContact O-N 3.01Å; Y161-V163 PolarHBondContact O-N 2.9Å |
| 162 | N | 98.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 4.5 | 179.1 | -79.9 | -11.5 | 0 | 0 | 0 | 117.2 | I153 E154 T155 G160 Q165 L166 | I153-N162 HydrophobicContact CD1-CB 3.89Å; I153-N162 HydrophobicContact CG1-CB 4.18Å; E154-N162 WeakPolarHBondContact O-CB 3.25Å; E154-N162 PolarHBondContact O-ND2 2.77Å; T155-N162 HydrophobicContact CG2-CB 4Å; G160-N162 PolarHBondContact O-N 2.85Å; N162-Q165 HydrophobicContact CB-CB 4.44Å; N162-Q165 CarbonylContact O-C 3.59Å; N162-Q165 PolarHBondContact O-N 2.83Å; N162-Q165 VanDerWaalsContact O-N 3.13Å; N162-L166 PolarHBondContact O-N 2.82Å |
| 163 | V | 98.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 179.7 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | L29 R32 F33 G160 Y161 Q165 L166 F167 | L29-V163 HydrophobicContact CD2-CG2 3.77Å; R32-V163 HydrophobicContact CB-CG1 4.31Å; R32-V163 HydrophobicContact CG-CB 4.03Å; R32-V163 HydrophobicContact CG-CG1 3.92Å; R32-V163 HydrophobicContact CG-CG2 3.82Å; F33-V163 HydrophobicContact CB-CG1 3.92Å; G160-V163 PolarHBondContact O-N 2.91Å; Y161-V163 PolarHBondContact O-N 2.9Å; V163-Q165 PolarHBondContact O-N 3.46Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 2.67Å; V163-F167 HydrophobicContact CG1-CD2 4.36Å; V163-F167 HydrophobicContact CG1-CE2 4.11Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.46Å; V163-F167 PolarHBondContact O-N 2.68Å |
| 164 | K | 95.6 | Very high | 95.9 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 58% | 0.578 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.6 | -36.1 | 174.4 | -68.8 | 178.7 | -178 | 171 | 0 | 111.8 | F167 R168 | K164-F167 PolarHBondContact O-N 2.84Å; K164-R168 WeakPolarHBondContact O-CG 3.43Å; K164-R168 PolarHBondContact O-N 3.03Å |
| 165 | Q | 96.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70 | -37.1 | -179.8 | -169.9 | 61.1 | 11.8 | 0 | 0 | 112.5 | I153 N162 V163 F167 R168 R169 | I153-Q165 HydrophobicContact CD1-CB 4.02Å; I153-Q165 HydrophobicContact CD1-CG 3.87Å; N162-Q165 HydrophobicContact CB-CB 4.44Å; N162-Q165 CarbonylContact O-C 3.59Å; N162-Q165 PolarHBondContact O-N 2.83Å; N162-Q165 VanDerWaalsContact O-N 3.13Å; V163-Q165 PolarHBondContact O-N 3.46Å; Q165-F167 PolarHBondContact O-N 3.23Å; Q165-R168 PolarHBondContact O-N 3.21Å; Q165-R169 HydrophobicContact CG-CG 4.48Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.94Å |
| 166 | L | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53.5 | -54.2 | 171.8 | 164.5 | 62.9 | 0 | 0 | 0 | 110.4 | V90 M122 V124 I153 T155 N162 V163 R168 R169 V170 | V90-L166 HydrophobicContact CG1-CD1 4.47Å; M122-L166 HydrophobicContact CE-CD1 4.42Å; M122-L166 HydrophobicContact CG-CD1 3.48Å; M122-L166 VanDerWaalsContact CG-CD1 3.48Å; M122-L166 HydrophobicContact SD-CD1 4.24Å; V124-L166 HydrophobicContact CG1-CD2 4.48Å; V124-L166 HydrophobicContact CG2-CD1 3.68Å; V124-L166 HydrophobicContact CG2-CD2 4.19Å; I153-L166 HydrophobicContact CG2-CB 4.19Å; I153-L166 HydrophobicContact CG2-CD1 3.74Å; T155-L166 HydrophobicContact CG2-CB 4.22Å; T155-L166 HydrophobicContact CG2-CD2 4.33Å; N162-L166 PolarHBondContact O-N 2.82Å; V163-L166 WeakPolarHBondContact O-CB 3.41Å; V163-L166 PolarHBondContact O-N 2.67Å; L166-R168 PolarHBondContact O-N 3.43Å; L166-R169 PolarHBondContact O-N 3.21Å; L166-V170 HydrophobicContact CD1-CG2 4.24Å; L166-V170 WeakPolarHBondContact O-CG2 3.17Å; L166-V170 PolarHBondContact O-N 3.13Å |
| 167 | F | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.5 | -32.5 | -179.1 | -71.6 | -86.9 | 0 | 0 | 0 | 113 | L16 F18 F33 L64 L66 V163 K164 Q165 A171 | L16-F167 HydrophobicContact CD2-CD1 4.12Å; L16-F167 HydrophobicContact CD2-CE1 4.02Å; F18-F167 HydrophobicContact CE1-CZ 4.29Å; F18-F167 HydrophobicContact CE2-CE1 4.42Å; F18-F167 HydrophobicContact CE2-CZ 4.46Å; F18-F167 AromaticContact CZ-CE1 3.81Å; F18-F167 HydrophobicContact CZ-CE1 3.81Å; F18-F167 AromaticContact CZ-CZ 3.56Å; F18-F167 HydrophobicContact CZ-CZ 3.56Å; F33-F167 HydrophobicContact CB-CD2 3.79Å; F33-F167 HydrophobicContact CB-CE2 3.29Å; F33-F167 HydrophobicContact CB-CZ 3.75Å; F33-F167 AromaticContact CD1-CD1 3.89Å; F33-F167 HydrophobicContact CD1-CD1 3.89Å; F33-F167 AromaticContact CD1-CD2 3.96Å; F33-F167 HydrophobicContact CD1-CD2 3.96Å; F33-F167 AromaticContact CD1-CE1 3.64Å; F33-F167 HydrophobicContact CD1-CE1 3.64Å; F33-F167 AromaticContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CE2 3.78Å; F33-F167 HydrophobicContact CD1-CG 4.03Å; F33-F167 AromaticContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD1-CZ 3.58Å; F33-F167 HydrophobicContact CD2-CB 4.05Å; F33-F167 HydrophobicContact CD2-CD1 4.3Å; F33-F167 AromaticContact CD2-CD2 3.27Å; F33-F167 HydrophobicContact CD2-CD2 3.27Å; F33-F167 AromaticContact CD2-CE2 3.74Å; F33-F167 HydrophobicContact CD2-CE2 3.74Å; F33-F167 AromaticContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CG 3.61Å; F33-F167 HydrophobicContact CD2-CZ 4.37Å; F33-F167 AromaticContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD1 3.71Å; F33-F167 HydrophobicContact CE1-CD2 4.36Å; F33-F167 AromaticContact CE1-CE1 3.85Å; F33-F167 HydrophobicContact CE1-CE1 3.85Å; F33-F167 AromaticContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CG 3.98Å; F33-F167 HydrophobicContact CE1-CZ 4.25Å; F33-F167 HydrophobicContact CE2-CB 3.61Å; F33-F167 HydrophobicContact CE2-CD1 4.15Å; F33-F167 AromaticContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CD2 3.76Å; F33-F167 HydrophobicContact CE2-CE2 4.5Å; F33-F167 AromaticContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CE2-CG 3.56Å; F33-F167 HydrophobicContact CG-CD1 4.17Å; F33-F167 AromaticContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CD2 3.39Å; F33-F167 HydrophobicContact CG-CE1 4.06Å; F33-F167 AromaticContact CG-CE2 3.31Å; F33-F167 HydrophobicContact CG-CE2 3.31Å; F33-F167 AromaticContact CG-CG 3.84Å; F33-F167 HydrophobicContact CG-CG 3.84Å; F33-F167 AromaticContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CG-CZ 3.64Å; F33-F167 HydrophobicContact CZ-CB 3.93Å; F33-F167 AromaticContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD1 3.85Å; F33-F167 HydrophobicContact CZ-CD2 4.27Å; F33-F167 HydrophobicContact CZ-CE1 4.43Å; F33-F167 AromaticContact CZ-CG 3.75Å; F33-F167 HydrophobicContact CZ-CG 3.75Å; L64-F167 HydrophobicContact CD1-CD1 3.98Å; L66-F167 HydrophobicContact CD1-CE1 4.28Å; L66-F167 HydrophobicContact CD2-CE1 3.89Å; V163-F167 HydrophobicContact CG1-CD2 4.36Å; V163-F167 HydrophobicContact CG1-CE2 4.11Å; V163-F167 VanDerWaalsContact O-CD2 3.28Å; V163-F167 WeakPolarHBondContact O-CD2 3.46Å; V163-F167 PolarHBondContact O-N 2.68Å; K164-F167 PolarHBondContact O-N 2.84Å; Q165-F167 PolarHBondContact O-N 3.23Å; F167-A171 VanDerWaalsContact O-CB 3.28Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 2.94Å |
| 168 | R | 93.3 | Very high | 90.2 | Very high | 154 Ų | 154 | 61.8 Ų | 61.8 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 172.6 | -76 | 175.7 | 177.8 | 173.8 | -4.1 | 112.7 | K164 Q165 L166 A171 A172 | K164-R168 WeakPolarHBondContact O-CG 3.43Å; K164-R168 PolarHBondContact O-N 3.03Å; Q165-R168 PolarHBondContact O-N 3.21Å; L166-R168 PolarHBondContact O-N 3.43Å; R168-A171 WeakPolarHBondContact O-CB 3.43Å; R168-A171 PolarHBondContact O-N 3.37Å; R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.42Å |
| 169 | R | 95 | Very high | 87.9 | Confident | 111 Ų | 111 | 60 Ų | 60 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.7 | -74 | -173.8 | 178.3 | -173 | 1.1 | 111.6 | M122 F152 Q165 L166 A171 A172 A173 | M122-R169 HydrophobicContact CE-CB 3.85Å; F152-R169 PolarHBondContact O-NH1 2.82Å; Q165-R169 HydrophobicContact CG-CG 4.48Å; Q165-R169 WeakPolarHBondContact O-CG 3.36Å; Q165-R169 PolarHBondContact O-N 2.94Å; L166-R169 PolarHBondContact O-N 3.21Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.85Å; R169-A172 PolarHBondContact O-N 3.27Å; R169-A173 PolarHBondContact O-N 3.35Å |
| 170 | V | 94.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 172.9 | 167.9 | 0 | 0 | 0 | 0 | 110.2 | L16 V88 M122 L166 A173 L174 | L16-V170 HydrophobicContact CD2-CG1 3.9Å; L16-V170 HydrophobicContact CG-CG1 4.25Å; V88-V170 HydrophobicContact CB-CG1 4.29Å; V88-V170 HydrophobicContact CG1-CG1 3.77Å; V88-V170 HydrophobicContact CG1-CG2 4.25Å; V88-V170 HydrophobicContact CG2-CG1 3.78Å; M122-V170 HydrophobicContact CB-CG2 4.36Å; M122-V170 HydrophobicContact CE-CG2 4.13Å; M122-V170 HydrophobicContact CG-CG2 4.43Å; L166-V170 HydrophobicContact CD1-CG2 4.24Å; L166-V170 WeakPolarHBondContact O-CG2 3.17Å; L166-V170 PolarHBondContact O-N 3.13Å; V170-A173 PolarHBondContact O-N 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å |
| 171 | A | 90.8 | Very high | 83.2 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.5 | -57.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M55 L57 F167 R168 R169 A173 L174 M177 | M55-A171 HydrophobicContact CE-CB 3.48Å; M55-A171 VanDerWaalsContact CE-CB 3.48Å; M55-A171 HydrophobicContact SD-CB 4.37Å; L57-A171 HydrophobicContact CD1-CB 4.13Å; L57-A171 HydrophobicContact CD2-CB 3.94Å; F167-A171 VanDerWaalsContact O-CB 3.28Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 2.94Å; R168-A171 WeakPolarHBondContact O-CB 3.43Å; R168-A171 PolarHBondContact O-N 3.37Å; R169-A171 VanDerWaalsContact C-N 3.3Å; R169-A171 PolarHBondContact O-N 2.85Å; A171-A173 PolarHBondContact O-N 2.93Å; A171-L174 VanDerWaalsContact O-CB 3.27Å; A171-L174 WeakPolarHBondContact O-CB 3.48Å; A171-L174 WeakPolarHBondContact O-CG 3.44Å; A171-L174 PolarHBondContact O-N 3.08Å; A171-M177 HydrophobicContact CB-CE 3.84Å; A171-M177 WeakPolarHBondContact O-CE 3.48Å |
| 172 | A | 90.1 | Very high | 80.8 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -47.9 | -32.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | R168 R169 M177 | R168-A172 WeakPolarHBondContact O-CB 3.47Å; R168-A172 PolarHBondContact O-N 3.42Å; R169-A172 PolarHBondContact O-N 3.27Å; A172-M177 WeakPolarHBondContact CA-SD 3.42Å |
| 173 | A | 91.4 | Very high | 78.3 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 35% | 0.347 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | I120 M151 R169 V170 A171 | I120-A173 HydrophobicContact CD1-CB 4.02Å; I120-A173 WeakPolarHBondContact CD1-O 3.3Å; I120-A173 HydrophobicContact CG2-CB 4.17Å; M151-A173 HydrophobicContact CE-CB 3.72Å; M151-A173 HydrophobicContact SD-CB 4.21Å; R169-A173 PolarHBondContact O-N 3.35Å; V170-A173 PolarHBondContact O-N 3.31Å; A171-A173 PolarHBondContact O-N 2.93Å |
| 174 | L | 89.5 | Confident | 76 | Confident | 3 Ų | 3 | 76.4 Ų | 76.4 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -69.8 | 141.6 | -174.8 | -68.6 | 170.7 | 0 | 0 | 0 | 112.1 | F14 L64 T87 V88 I120 V170 A171 M177 | F14-L174 HydrophobicContact CB-CD1 4.05Å; F14-L174 HydrophobicContact CB-CD2 4.16Å; F14-L174 HydrophobicContact CD1-CB 4.41Å; F14-L174 HydrophobicContact CD1-CD1 4.09Å; F14-L174 HydrophobicContact CD1-CD2 3.62Å; F14-L174 HydrophobicContact CD1-CG 4.25Å; F14-L174 HydrophobicContact CD2-CD1 3.65Å; F14-L174 HydrophobicContact CE1-CB 4.08Å; F14-L174 HydrophobicContact CE1-CD1 4.42Å; F14-L174 HydrophobicContact CE1-CD2 4.1Å; F14-L174 HydrophobicContact CE1-CG 4.42Å; F14-L174 HydrophobicContact CE2-CD1 4.02Å; F14-L174 HydrophobicContact CG-CD1 3.66Å; F14-L174 HydrophobicContact CG-CD2 3.91Å; F14-L174 HydrophobicContact CG-CG 4.31Å; F14-L174 HydrophobicContact CZ-CB 4.13Å; F14-L174 HydrophobicContact CZ-CD1 4.37Å; L64-L174 HydrophobicContact CD2-CD1 4.49Å; T87-L174 HydrophobicContact CG2-CD2 4.14Å; V88-L174 HydrophobicContact CG2-CD2 3.61Å; I120-L174 HydrophobicContact CD1-CD2 4.15Å; V170-L174 WeakPolarHBondContact O-CG 3.34Å; A171-L174 VanDerWaalsContact O-CB 3.27Å; A171-L174 WeakPolarHBondContact O-CB 3.48Å; A171-L174 WeakPolarHBondContact O-CG 3.44Å; A171-L174 PolarHBondContact O-N 3.08Å; L174-M177 HydrophobicContact CB-CE 4.38Å; L174-M177 VanDerWaalsContact O-CG 3.32Å; L174-M177 WeakPolarHBondContact O-CG 3.16Å; L174-M177 PolarHBondContact O-N 3.34Å |
| 175 | P | 78.2 | Confident | 73.7 | Confident | 68 Ų | 68 | 80 Ų | 80 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 139.7 | -179.2 | -27.6 | 33.5 | 0 | 0 | 0 | 114.7 | R12 | R12-P175 PolarHBondContact NH1-O 2.92Š|
| 176 | G | 75.9 | Confident | 71.5 | Confident | 41 Ų | 41 | 85 Ų | 85 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 21 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R60 | R60-G176 VanDerWaalsContact NH1-C 3.28Å; R60-G176 PolarHBondContact NH1-O 3.29Å |
| 177 | M | 63.8 | Low | 68.9 | Low | 43 Ų | 43 | 90.7 Ų | 90.7 | 21% | 0.212 | 46% | 0.462 | C | S | . | . | trans | -83.7 | -12.2 | 165 | -74.9 | -147.2 | 179.9 | 0 | 0 | 113.6 | L57 R60 A171 A172 L174 S179 | L57-M177 HydrophobicContact CD1-CE 3.19Å; R60-M177 VanDerWaalsContact CZ-CG 3.47Å; A171-M177 HydrophobicContact CB-CE 3.84Å; A171-M177 WeakPolarHBondContact O-CE 3.48Å; A172-M177 WeakPolarHBondContact CA-SD 3.42Å; L174-M177 HydrophobicContact CB-CE 4.38Å; L174-M177 VanDerWaalsContact O-CG 3.32Å; L174-M177 WeakPolarHBondContact O-CG 3.16Å; L174-M177 PolarHBondContact O-N 3.34Å; M177-S179 PolarHBondContact O-N 3.24Å; M177-S179 VanDerWaalsContact O-N 3.13Å | ||
| 178 | E | 57.6 | Low | 66.4 | Low | 184 Ų | 184 | 98.7 Ų | 98.7 | 86% | 0.86 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -76.8 | 7.4 | -176.2 | -65 | -174.3 | 148.8 | 0 | 0 | 114.5 | ||
| 179 | S | 48.9 | Very low | 64.2 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | trans | -127.7 | 61.7 | -170.8 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | M177 | M177-S179 PolarHBondContact O-N 3.24Å; M177-S179 VanDerWaalsContact O-N 3.13Å | ||
| 180 | T | 49.4 | Very low | 62 | Low | 84 Ų | 84 | 99.7 Ų | 99.7 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -136.9 | -20.2 | 152.7 | -15.6 | 0 | 0 | 0 | 0 | 114 | D59 | D59-T180 HydrophobicContact CB-CG2 4.46Å; D59-T180 WeakPolarHBondContact CB-OG1 3.48Å |
| 181 | Q | 47.3 | Very low | 59.6 | Low | 174 Ų | 174 | 106.6 Ų | 106.6 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -77.3 | -39.8 | 171.2 | -70.8 | -171 | 1.5 | 0 | 0 | 112.1 | S184 | Q181-S184 PolarHBondContact O-OG 3.01Š|
| 182 | D | 48.3 | Very low | 57.2 | Low | 111 Ų | 111 | 115.1 Ų | 115.1 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -22.5 | -175.9 | -73.4 | -37.1 | 0 | 0 | 0 | 115.3 | S184 R185 | D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å; D182-R185 PolarHBondContact O-N 3.15Å |
| 183 | R | 46.3 | Very low | 54.9 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 64% | 0.642 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.1 | -13.9 | 176.4 | -64.6 | -169.7 | 79.3 | -177.1 | 4.3 | 113.3 | R185 | R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 2.82Å |
| 184 | S | 49.4 | Very low | 52.5 | Low | 83 Ų | 83 | 126.3 Ų | 126.3 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.5 | -13.2 | 175.2 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | Q181 D182 | Q181-S184 PolarHBondContact O-OG 3.01Å; D182-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact O-N 3.17Å |
| 185 | R | 47.6 | Very low | 50.1 | Low | 208 Ų | 208 | 135.2 Ų | 135.2 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -95.4 | -22.4 | -177.5 | -89.2 | -177.2 | 169.4 | 153.5 | -2.3 | 115.5 | D182 R183 | D182-R185 PolarHBondContact O-N 3.15Å; R183-R185 VanDerWaalsContact C-N 3.27Å; R183-R185 PolarHBondContact O-N 2.82Å |
| 186 | E | 50.4 | Low | 48.4 | Very low | 177 Ų | 177 | 137.9 Ų | 137.9 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -97.7 | -12.5 | -175 | -68.5 | -168.4 | 149.6 | 0 | 0 | 114.8 | ||
| 187 | D | 44.9 | Very low | 46.8 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -99.2 | 16.6 | -177.6 | -72.5 | -28 | 0 | 0 | 0 | 114.6 | I189 | D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 2.9Å | ||
| 188 | M | 42.3 | Very low | 45.7 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 84% | 0.837 | 75% | 0.745 | S | S | * | * | trans | -77.3 | 82.2 | 166.9 | -74.7 | -167 | -165.8 | 0 | 0 | 110.4 | ||||
| 189 | I | 47.4 | Very low | 45 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -81.6 | 116 | 164.2 | -63.6 | 171.6 | 0 | 0 | 0 | 108.1 | D187 I191 | D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 2.9Å; I189-I191 PolarHBondContact O-N 2.91Å | ||
| 190 | D | 48.4 | Very low | 44.9 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -56.8 | 114.5 | 175.8 | -98.8 | -27.4 | 0 | 0 | 0 | 112.1 | K192 | D190-K192 PolarHBondContact O-N 2.84Š| ||
| 191 | I | 43.4 | Very low | 44.8 | Very low | 146 Ų | 146 | 157.4 Ų | 157.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -93.8 | 92.7 | 168 | -56.1 | 176.6 | 0 | 0 | 0 | 108.2 | I189 L193 | I189-I191 PolarHBondContact O-N 2.91Å; I191-L193 HydrophobicContact CG2-CD2 4.46Å; I191-L193 HydrophobicContact CG2-CG 4.37Å; I191-L193 PolarHBondContact O-N 3.33Å | ||
| 192 | K | 40.3 | Very low | 44.7 | Very low | 179 Ų | 179 | 154.5 Ų | 154.5 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -80.3 | 105.7 | 166.1 | -73.2 | -176.3 | -179.6 | 176.8 | 0 | 109.1 | D190 E194 | D190-K192 PolarHBondContact O-N 2.84Å; K192-E194 PolarHBondContact O-N 2.57Å | ||
| 193 | L | 42.6 | Very low | 44.6 | Very low | 157 Ų | 157 | 158.1 Ų | 158.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -72.8 | 102 | 172.2 | -70.9 | 162.5 | 0 | 0 | 0 | 109.5 | I191 | I191-L193 HydrophobicContact CG2-CD2 4.46Å; I191-L193 HydrophobicContact CG2-CG 4.37Å; I191-L193 PolarHBondContact O-N 3.33Å | ||
| 194 | E | 40.8 | Very low | 44.5 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.8 | 167.7 | -72.6 | -174.2 | 160.5 | 0 | 0 | 109.8 | K192 | K192-E194 PolarHBondContact O-N 2.57Š|
| 195 | K | 39.8 | Very low | 44.1 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134.4 | 179.4 | -73.3 | -178.8 | 176.4 | -179.4 | 0 | 110.2 | Q197 | K195-Q197 PolarHBondContact O-N 3.49Š|
| 196 | P | 41.6 | Very low | 44 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.8 | 175.1 | -18 | 29.9 | 0 | 0 | 0 | 111.2 | E198 | P196-E198 PolarHBondContact O-N 3.19Š|
| 197 | Q | 42.3 | Very low | 43.7 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68 | 119.4 | 172.8 | -71.7 | 175.8 | -30 | 0 | 0 | 109.7 | K195 Q199 | K195-Q197 PolarHBondContact O-N 3.49Å; Q197-Q199 PolarHBondContact O-N 3.36Å |
| 198 | E | 40.9 | Very low | 44.5 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 123.3 | 174.6 | -71.6 | 174.5 | 163.7 | 0 | 0 | 110.2 | P196 | P196-E198 PolarHBondContact O-N 3.19Š|
| 199 | Q | 42.3 | Very low | 44.6 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 134.4 | 175.1 | -71.5 | 176.7 | -15.2 | 0 | 0 | 110.1 | Q197 | Q197-Q199 PolarHBondContact O-N 3.36Š|
| 200 | P | 46.3 | Very low | 44.5 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.6 | -178.4 | 27.3 | -31.7 | 0 | 0 | 0 | 111.8 | S202 | P200-S202 PolarHBondContact O-N 2.89Š|
| 201 | V | 47.5 | Very low | 44.3 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 84% | 0.836 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 117.2 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | E203 | V201-E203 PolarHBondContact O-N 3.26Š|
| 202 | S | 46.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 87% | 0.868 | S | S | * | * | trans | -81.5 | 105.3 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 110.3 | P200 G204 | P200-S202 PolarHBondContact O-N 2.89Å; S202-G204 PolarHBondContact O-N 3.38Å | ||
| 203 | E | 46 | Very low | 44.6 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 87% | 0.873 | S | S | * | * | trans | -73.8 | 105.9 | 168.1 | -72 | -175 | 153.4 | 0 | 0 | 109.8 | V201 G205 | V201-E203 PolarHBondContact O-N 3.26Å; E203-G205 PolarHBondContact O-N 3.29Å | ||
| 204 | G | 44.5 | Very low | 44.7 | Very low | 77 Ų | 77 | 148.9 Ų | 148.9 | 79% | 0.794 | 88% | 0.877 | S | S | * | * | trans | -75.8 | 105.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S202 | S202-G204 PolarHBondContact O-N 3.38Š| ||
| 205 | G | 40.6 | Very low | 45 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 84% | 0.835 | 88% | 0.877 | S | S | * | * | trans | -70.7 | 124.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | E203 | E203-G205 PolarHBondContact O-N 3.29Š| ||
| 206 | C | 45 | Very low | 45.4 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 91% | 0.905 | 88% | 0.88 | S | S | * | * | trans | -91.3 | 117 | 175.6 | -145.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 207 | S | 44.9 | Very low | 45.7 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 89% | 0.887 | S | S | * | * | trans | -125.4 | 113.6 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 208 | C | 61.6 | Low | 46 | Very low | 200 Ų | 200 | 140.5 Ų | 140.5 | 100% | 1.351 | 89% | 0.888 | S | S | * | * | trans | -130.9 | 0 | 156.4 | -71.3 | 0 | 0 | 0 | 0 | 106.8 |
Retrieved 208 of 208 residues in 108.7 ms
(Link to these results)