| 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 | 37.2 | Very low | 60.5 | Low | 249 Ų | 249 | 115.8 Ų | 115.8 | 100% | 1.227 | 68% | 0.676 | S | S | * | * | 0 | 92.4 | 0 | -70 | -159.3 | -94 | 0 | 0 | 107.9 | |||||
| 2 | A | 36.8 | Very low | 63.6 | Low | 98 Ų | 98 | 108.3 Ų | 108.3 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | trans | -82.5 | 131.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q4 | A2-Q4 PolarHBondContact O-N 3.27Å; A2-Q4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | A | 42.2 | Very low | 66.3 | Low | 98 Ų | 98 | 99.9 Ų | 99.9 | 81% | 0.81 | 58% | 0.58 | S | S | * | * | trans | -54.6 | 115.6 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | G5 | A3-G5 PolarHBondContact O-N 3.43Š| ||
| 4 | Q | 35.8 | Very low | 68.5 | Low | 197 Ų | 197 | 92.8 Ų | 92.8 | 92% | 0.921 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -72 | 115.4 | 161.3 | -70.3 | 178.5 | -14.9 | 0 | 0 | 107 | A2 | A2-Q4 PolarHBondContact O-N 3.27Å; A2-Q4 VanDerWaalsContact O-N 3.1Å |
| 5 | G | 48.9 | Very low | 70.4 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 74% | 0.742 | 50% | 0.503 | S | S | * | . | trans | 136.5 | 0.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | A3 | A3-G5 PolarHBondContact O-N 3.43Š| ||
| 6 | E | 49.2 | Very low | 72 | Confident | 176 Ų | 176 | 81.3 Ų | 81.3 | 82% | 0.822 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 130.4 | 172.7 | -77.2 | -175 | 170.4 | 0 | 0 | 110.9 | Q8 | E6-Q8 PolarHBondContact O-N 2.86Š|
| 7 | P | 52 | Low | 73.4 | Confident | 121 Ų | 121 | 76.5 Ų | 76.5 | 79% | 0.786 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 118.2 | 172.3 | 9.4 | -10.4 | 0 | 0 | 0 | 108.6 | V9 | P7-V9 PolarHBondContact O-N 2.9Å; P7-V9 VanDerWaalsContact O-N 3.1Å |
| 8 | Q | 74 | Confident | 74.6 | Confident | 72 Ų | 72 | 73.5 Ų | 73.5 | 34% | 0.336 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 116.1 | -175.8 | -169.2 | 173.7 | 17 | 0 | 0 | 109.5 | E6 Q10 K60 | E6-Q8 PolarHBondContact O-N 2.86Å; Q8-Q10 PolarHBondContact O-N 2.82Å; Q8-Q10 VanDerWaalsContact O-N 3.07Å; Q8-K60 HydrophobicContact CG-CB 4.34Å |
| 9 | V | 94.3 | Very high | 75.6 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 118 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | P7 F11 K60 I169 | P7-V9 PolarHBondContact O-N 2.9Å; P7-V9 VanDerWaalsContact O-N 3.1Å; V9-F11 HydrophobicContact CG1-CD2 4.41Å; V9-F11 HydrophobicContact CG1-CE1 4.48Å; V9-F11 HydrophobicContact CG1-CE2 3.51Å; V9-F11 HydrophobicContact CG1-CZ 3.54Å; V9-K60 PolarHBondContact O-N 2.97Å; V9-I169 HydrophobicContact CG1-CD1 3.98Å |
| 10 | Q | 96.7 | Very high | 76.5 | Confident | 102 Ų | 102 | 68.7 Ų | 68.7 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.9 | -175.2 | 65.3 | 178.9 | 3.3 | 0 | 0 | 112.1 | Q8 K60 N62 | Q8-Q10 PolarHBondContact O-N 2.82Å; Q8-Q10 VanDerWaalsContact O-N 3.07Å; Q10-K60 CarbonylContact C-O 3.59Å; Q10-K60 WeakPolarHBondContact CA-O 3.38Å; Q10-K60 HydrophobicContact CB-CB 4.01Å; Q10-K60 HydrophobicContact CB-CD 4.45Å; Q10-N62 PolarHBondContact OE1-ND2 3.01Å |
| 11 | F | 98.1 | Very high | 77.5 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 9% | 0.092 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 135.7 | -179.5 | -58.4 | -73.3 | 0 | 0 | 0 | 110.5 | V9 L13 I59 K60 F61 N62 Q84 L168 I169 | V9-F11 HydrophobicContact CG1-CD2 4.41Å; V9-F11 HydrophobicContact CG1-CE1 4.48Å; V9-F11 HydrophobicContact CG1-CE2 3.51Å; V9-F11 HydrophobicContact CG1-CZ 3.54Å; F11-L13 PolarHBondContact O-N 3.23Å; F11-I59 HydrophobicContact CD2-CG2 3.75Å; F11-I59 HydrophobicContact CE2-CG2 3.77Å; F11-K60 PolarHBondContact N-O 3.21Å; F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.08Å; F11-F61 HydrophobicContact CD2-CE1 4.13Å; F11-F61 HydrophobicContact CD2-CZ 4.5Å; F11-F61 HydrophobicContact CG-CE1 4.46Å; F11-F61 CarbonylContact O-C 3.51Å; F11-F61 WeakPolarHBondContact O-CA 3.34Å; F11-N62 PolarHBondContact O-N 2.86Å; F11-Q84 VanDerWaalsContact CA-OE1 3.27Å; F11-Q84 HydrophobicContact CB-CB 4.37Å; F11-Q84 HydrophobicContact CD1-CB 4.17Å; F11-L168 HydrophobicContact CB-CD1 4.08Å; F11-L168 HydrophobicContact CD1-CB 4.26Å; F11-L168 HydrophobicContact CD1-CD1 3.92Å; F11-L168 HydrophobicContact CD1-CD2 4.05Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.45Å; F11-L168 HydrophobicContact CD2-CD1 3.82Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.33Å; F11-L168 HydrophobicContact CE1-CD2 4.2Å; F11-L168 HydrophobicContact CE1-CG 4.34Å; F11-L168 HydrophobicContact CE2-CB 4Å; F11-L168 HydrophobicContact CE2-CD1 4.21Å; F11-L168 HydrophobicContact CG-CD1 3.67Å; F11-L168 HydrophobicContact CZ-CB 3.68Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å |
| 12 | K | 98 | Very high | 80.3 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 11% | 0.109 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.5 | 165.3 | 179.8 | 170.5 | 171.6 | 174.1 | 0 | 108.8 | W64 Y79 I81 Q84 C85 | K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.3Å; K12-W64 HydrophobicContact CG-CG 4.48Å; K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 3.02Å; K12-I81 PolarHBondContact NZ-O 3.23Å; K12-Q84 PolarHBondContact O-N 3.27Å; K12-C85 PolarHBondContact O-N 3.45Å |
| 13 | L | 98.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.2 | 173 | -173.5 | 154.4 | 0 | 0 | 0 | 108.8 | F11 L15 F61 N62 V63 W64 C85 I87 F161 L164 | F11-L13 PolarHBondContact O-N 3.23Å; L13-L15 HydrophobicContact CD2-CB 4.18Å; L13-F61 HydrophobicContact CB-CB 4.36Å; L13-F61 HydrophobicContact CB-CD1 4.09Å; L13-F61 HydrophobicContact CD1-CB 4.48Å; L13-F61 HydrophobicContact CD1-CD1 3.86Å; L13-F61 HydrophobicContact CD1-CE1 4.37Å; L13-F61 HydrophobicContact CD1-CG 4.28Å; L13-N62 PolarHBondContact N-O 3.27Å; L13-V63 HydrophobicContact CB-CG2 4.31Å; L13-V63 HydrophobicContact CD2-CB 4.48Å; L13-V63 HydrophobicContact CD2-CG1 3.85Å; L13-V63 HydrophobicContact CD2-CG2 4.22Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.35Å; L13-W64 PolarHBondContact O-N 3.32Å; L13-C85 WeakPolarHBondContact CA-O 3.3Å; L13-I87 HydrophobicContact CD1-CD1 4.02Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.45Å; L13-I87 HydrophobicContact CD2-CD1 4.22Å; L13-I87 HydrophobicContact CD2-CG1 4.19Å; L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.8Å; L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.42Å |
| 14 | V | 97.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.3 | 172 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | W64 Y80 A83 C85 A86 I87 L108 | V14-W64 HydrophobicContact CG1-CB 4.22Å; V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.4Å; V14-Y80 HydrophobicContact CG2-CD1 4.37Å; V14-A83 HydrophobicContact CB-CB 4.43Å; V14-A83 HydrophobicContact CG1-CB 3.74Å; V14-A83 HydrophobicContact CG2-CB 3.82Å; V14-C85 PolarHBondContact N-O 3.14Å; V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; V14-I87 PolarHBondContact O-N 3.39Å; V14-L108 HydrophobicContact CG2-CD1 3.46Å; V14-L108 VanDerWaalsContact CG2-CD1 3.46Å |
| 15 | L | 97.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.6 | 178.5 | 177.5 | 61.8 | 0 | 0 | 0 | 109.1 | L13 K23 F26 V27 V63 W64 T66 I87 M89 | L13-L15 HydrophobicContact CD2-CB 4.18Å; L15-K23 HydrophobicContact CD1-CD 4.46Å; L15-K23 HydrophobicContact CD1-CG 4.16Å; L15-K23 HydrophobicContact CD2-CB 3.62Å; L15-K23 HydrophobicContact CD2-CG 4.15Å; L15-K23 HydrophobicContact CG-CB 3.87Å; L15-K23 HydrophobicContact CG-CD 3.99Å; L15-K23 HydrophobicContact CG-CG 3.87Å; L15-F26 HydrophobicContact CD2-CD1 4.37Å; L15-V27 HydrophobicContact CD2-CG2 3.29Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.4Å; L15-W64 PolarHBondContact N-O 2.8Å; L15-T66 PolarHBondContact O-N 2.82Å; L15-T66 PolarHBondContact O-OG1 3.42Å; L15-I87 WeakPolarHBondContact CA-O 3.3Å; L15-I87 HydrophobicContact CD1-CB 3.68Å; L15-I87 HydrophobicContact CD1-CG2 3.59Å; L15-M89 HydrophobicContact CD1-CB 4.39Å; L15-M89 HydrophobicContact CD1-CE 4.21Å |
| 16 | V | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 166.4 | -171.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | T66 Y80 I87 I88 M89 W104 | V16-T66 HydrophobicContact CG1-CG2 4.43Å; V16-Y80 HydrophobicContact CG1-CD1 4.48Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; V16-I87 PolarHBondContact N-O 3.4Å; V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.68Å; V16-I88 HydrophobicContact CG2-CG2 4.26Å; V16-I88 WeakPolarHBondContact O-CA 3.46Å; V16-M89 PolarHBondContact O-N 2.99Å; V16-W104 HydrophobicContact CB-CD2 4.4Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.17Å; V16-W104 HydrophobicContact CG1-CE3 4.43Å; V16-W104 HydrophobicContact CG2-CB 4.32Å; V16-W104 HydrophobicContact CG2-CE3 4.4Å |
| 17 | G | 96.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | 133.6 | 167.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | K23 G68 M89 W104 | G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 2.92Å; G17-G68 WeakPolarHBondContact O-CA 3.46Å; G17-M89 WeakPolarHBondContact CA-O 3.29Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.29Å; G17-W104 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 18 | D | 95.1 | Very high | 94.4 | Very high | 22 Ų | 22 | 23.7 Ų | 23.7 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | trans | -56.4 | 159.7 | -174.8 | -76.8 | 12.9 | 0 | 0 | 0 | 113.5 | T21 K23 T97 N100 W104 | D18-T21 HydrophobicContact CB-CG2 3.88Å; D18-T21 VanDerWaalsContact O-CG2 3.31Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.2Å; D18-K23 PolarHBondContact O-NZ 2.91Å; D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.26Å; D18-N100 WeakPolarHBondContact OD1-CB 3.49Å; D18-N100 PolarHBondContact OD2-ND2 3.02Å; D18-W104 PolarHBondContact OD1-NE1 3.06Å | ||
| 19 | G | 93.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 24% | 0.237 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 143.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T21 G68 | G19-T21 PolarHBondContact O-N 2.87Å; G19-G68 PolarHBondContact N-O 3.49Å |
| 20 | G | 93.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 17.8 Ų | 17.8 | 28% | 0.278 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 0.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | G22 K123 | G20-G22 PolarHBondContact O-N 3.34Å; G20-K123 WeakPolarHBondContact O-CE 3.43Å; G20-K123 PolarHBondContact O-NZ 2.9Å |
| 21 | T | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -68.1 | -18.7 | 176.2 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | D18 G19 D91 T97 N122 | D18-T21 HydrophobicContact CB-CG2 3.88Å; D18-T21 VanDerWaalsContact O-CG2 3.31Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.2Å; G19-T21 PolarHBondContact O-N 2.87Å; T21-D91 HydrophobicContact CG2-CB 4.35Å; T21-T97 HydrophobicContact CG2-CG2 3.88Å; T21-N122 PolarHBondContact O-ND2 3.39Å |
| 22 | G | 95.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 13% | 0.134 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 103.7 | 16.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G20 T25 F26 | G20-G22 PolarHBondContact O-N 3.34Å; G22-T25 PolarHBondContact O-N 3.03Å; G22-F26 WeakPolarHBondContact O-CB 3.22Å; G22-F26 PolarHBondContact O-N 3.45Å |
| 23 | K | 95.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -50.8 | -57.5 | 178.6 | -63.9 | -175.3 | -53.7 | -71.5 | 0 | 113.1 | L15 G17 D18 T25 F26 V27 D65 T66 M89 | L15-K23 HydrophobicContact CD1-CD 4.46Å; L15-K23 HydrophobicContact CD1-CG 4.16Å; L15-K23 HydrophobicContact CD2-CB 3.62Å; L15-K23 HydrophobicContact CD2-CG 4.15Å; L15-K23 HydrophobicContact CG-CB 3.87Å; L15-K23 HydrophobicContact CG-CD 3.99Å; L15-K23 HydrophobicContact CG-CG 3.87Å; G17-K23 WeakPolarHBondContact O-CE 3.43Å; G17-K23 PolarHBondContact O-NZ 2.92Å; D18-K23 PolarHBondContact O-NZ 2.91Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.38Å; K23-F26 WeakPolarHBondContact O-CB 3.39Å; K23-F26 PolarHBondContact O-N 2.97Å; K23-F26 VanDerWaalsContact O-N 3.09Å; K23-V27 WeakPolarHBondContact O-CG2 3.1Å; K23-V27 PolarHBondContact O-N 2.92Å; K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.47Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; K23-M89 HydrophobicContact CG-CB 4.08Å; K23-M89 HydrophobicContact CG-SD 4.16Å |
| 24 | T | 93.8 | Very high | 91.5 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 15% | 0.153 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 179 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | F26 V27 K28 T42 D65 | T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.01Å; T24-V27 PolarHBondContact O-N 3.33Å; T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 HydrophobicContact CG2-CG 4.24Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 3.1Å; T24-T42 PolarHBondContact OG1-OG1 3.05Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.36Å; T24-D65 VanDerWaalsContact CB-OD2 3.25Å; T24-D65 WeakPolarHBondContact CB-OD2 3.32Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å |
| 25 | T | 93.7 | Very high | 90.7 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.2 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | G22 K23 R29 F35 E36 A151 | G22-T25 PolarHBondContact O-N 3.03Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.38Å; T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.68Å; T25-F35 HydrophobicContact CG2-CD2 3.43Å; T25-F35 VanDerWaalsContact CG2-CD2 3.43Å; T25-F35 HydrophobicContact CG2-CE2 3.34Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.16Å; T25-E36 HydrophobicContact CG2-CB 4.39Å; T25-A151 HydrophobicContact CG2-CB 4.26Å |
| 26 | F | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.8 | 176.3 | -97 | 0 | 0 | 0 | 112.4 | L15 G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161 | L15-F26 HydrophobicContact CD2-CD1 4.37Å; G22-F26 WeakPolarHBondContact O-CB 3.22Å; G22-F26 PolarHBondContact O-N 3.45Å; K23-F26 WeakPolarHBondContact O-CB 3.39Å; K23-F26 PolarHBondContact O-N 2.97Å; K23-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.01Å; F26-H30 AromaticContact CE2-CE1 3.72Å; F26-H30 AromaticContact CZ-CE1 3.59Å; F26-H30 PolarHBondContact O-ND1 3.05Å; F26-I87 HydrophobicContact CE1-CD1 4.12Å; F26-M89 HydrophobicContact CB-CE 3.72Å; F26-M89 HydrophobicContact CD1-CE 3.92Å; F26-M89 HydrophobicContact CD2-CE 4.1Å; F26-M89 HydrophobicContact CG-CE 3.66Å; F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.67Å; F26-I149 HydrophobicContact CZ-CD1 4.48Å; F26-A151 HydrophobicContact CB-CB 4.22Å; F26-F157 HydrophobicContact CB-CE2 4.46Å; F26-F157 AromaticContact CD2-CD2 3.58Å; F26-F157 HydrophobicContact CD2-CD2 3.58Å; F26-F157 AromaticContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CZ 4.26Å; F26-F157 AromaticContact CE2-CD2 3.5Å; F26-F157 HydrophobicContact CE2-CD2 3.5Å; F26-F157 AromaticContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.01Å; F26-F157 WeakPolarHBondContact O-CZ 3.08Å; F26-P160 HydrophobicContact CZ-CG 4.41Å; F26-F161 AromaticContact CE1-CE2 3.47Å; F26-F161 HydrophobicContact CE1-CE2 3.47Å; F26-F161 VanDerWaalsContact CE1-CE2 3.47Å; F26-F161 AromaticContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CZ-CD2 4.26Å; F26-F161 AromaticContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CE2 3.48Å; F26-F161 VanDerWaalsContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CZ 4.25Å |
| 27 | V | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.5 | -52.6 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | L15 K23 T24 R29 H30 L31 H48 V63 D65 | L15-V27 HydrophobicContact CD2-CG2 3.29Å; K23-V27 WeakPolarHBondContact O-CG2 3.1Å; K23-V27 PolarHBondContact O-N 2.92Å; T24-V27 PolarHBondContact O-N 3.33Å; V27-R29 PolarHBondContact O-N 3.07Å; V27-H30 WeakPolarHBondContact O-CB 3.36Å; V27-H30 PolarHBondContact O-N 2.97Å; V27-L31 PolarHBondContact O-N 3.07Å; V27-L31 VanDerWaalsContact O-N 3.11Å; V27-H48 HydrophobicContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CG 3.46Å; V27-V63 HydrophobicContact CG1-CB 4.45Å; V27-V63 HydrophobicContact CG1-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.61Å; V27-D65 HydrophobicContact CG2-CB 4.43Å |
| 28 | K | 90.1 | Very high | 88.8 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.4 | -39.6 | 179.8 | -76.2 | -170.2 | 178.9 | -168.5 | 0 | 111.6 | T24 H30 L31 T32 E36 | T24-K28 HydrophobicContact CG2-CD 4.15Å; T24-K28 HydrophobicContact CG2-CG 4.24Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.48Å; T24-K28 PolarHBondContact O-N 3.1Å; K28-H30 VanDerWaalsContact C-N 3.32Å; K28-H30 PolarHBondContact O-N 2.88Å; K28-L31 WeakPolarHBondContact O-CB 3.4Å; K28-L31 PolarHBondContact O-N 2.96Å; K28-T32 PolarHBondContact O-N 3.37Å; K28-T32 PolarHBondContact O-OG1 3.47Å; K28-E36 HydrophobicContact CD-CB 4.45Å; K28-E36 IonicContact NZ-OE2 2.8Å; K28-E36 PolarHBondContact NZ-OE2 3.44Å |
| 29 | R | 89.3 | Confident | 88.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.7 | -176.2 | 169.8 | -166.9 | 139.2 | 20.1 | 113.5 | T25 V27 L31 G33 E34 F35 A151 K152 N154 F157 L182 P184 P185 | T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.68Å; V27-R29 PolarHBondContact O-N 3.07Å; R29-L31 VanDerWaalsContact C-N 3.34Å; R29-G33 WeakPolarHBondContact O-CA 3.28Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-G33 VanDerWaalsContact O-N 3.1Å; R29-E34 WeakPolarHBondContact CA-O 3.4Å; R29-E34 WeakPolarHBondContact CB-O 3.35Å; R29-F35 VanDerWaalsContact NH1-CD2 3.35Å; R29-A151 WeakPolarHBondContact CD-O 3.43Å; R29-A151 PolarHBondContact NE-O 3.46Å; R29-A151 PolarHBondContact NH1-O 3.03Å; R29-K152 VanDerWaalsContact NH1-CA 3.34Å; R29-K152 PolarHBondContact NH1-O 3.36Å; R29-N154 WeakPolarHBondContact CD-OD1 3.35Å; R29-N154 PolarHBondContact NE-OD1 3.16Å; R29-N154 PolarHBondContact NH2-ND2 3.39Å; R29-F157 HydrophobicContact CB-CE1 4.3Å; R29-F157 HydrophobicContact CB-CE2 4.39Å; R29-F157 HydrophobicContact CB-CZ 3.59Å; R29-F157 HydrophobicContact CG-CE1 4Å; R29-F157 HydrophobicContact CG-CE2 4.42Å; R29-F157 HydrophobicContact CG-CZ 3.65Å; R29-L182 WeakPolarHBondContact O-CD2 3.34Å; R29-P184 PolarHBondContact NH2-O 2.72Å; R29-P184 VanDerWaalsContact NH2-O 3.07Å; R29-P185 VanDerWaalsContact NH2-CA 3.3Å |
| 30 | H | 87.4 | Confident | 87.9 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.4 | -31 | 167.6 | -79.3 | 92.4 | 0 | 0 | 0 | 112.8 | F26 V27 K28 L50 F52 F157 F161 | F26-H30 AromaticContact CE2-CE1 3.72Å; F26-H30 AromaticContact CZ-CE1 3.59Å; F26-H30 PolarHBondContact O-ND1 3.05Å; V27-H30 WeakPolarHBondContact O-CB 3.36Å; V27-H30 PolarHBondContact O-N 2.97Å; K28-H30 VanDerWaalsContact C-N 3.32Å; K28-H30 PolarHBondContact O-N 2.88Å; H30-L50 HydrophobicContact CB-CD1 3.56Å; H30-L50 HydrophobicContact CB-CD2 3.73Å; H30-L50 HydrophobicContact CB-CG 4.27Å; H30-F52 AromaticContact CD2-CE1 3.93Å; H30-F52 AromaticContact CD2-CZ 3.67Å; H30-F157 HydrophobicContact CB-CE1 4.15Å; H30-F157 HydrophobicContact CB-CZ 4.43Å; H30-F157 AromaticContact CD2-CD1 3.74Å; H30-F157 AromaticContact CD2-CE1 3.5Å; H30-F157 VanDerWaalsContact CD2-CE1 3.5Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.45Å; H30-F157 AromaticContact CE1-CD1 3.12Å; H30-F157 WeakPolarHBondContact CE1-CD1 2.9Å; H30-F157 AromaticContact CE1-CD2 3.61Å; H30-F157 AromaticContact CE1-CE1 2.98Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.37Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F157 AromaticContact CE1-CG 3.43Å; H30-F157 VanDerWaalsContact CE1-CG 3.43Å; H30-F157 WeakPolarHBondContact CE1-CG 3.36Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3Å; H30-F157 AromaticContact CG-CE1 3.3Å; H30-F157 AromaticContact CG-CZ 3.67Å; H30-F157 AromaticContact ND1-CD1 3.7Å; H30-F157 AromaticContact ND1-CE1 3.02Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.46Å; H30-F157 AromaticContact ND1-CE2 3.63Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.47Å; H30-F157 AromaticContact NE2-CD1 3.17Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.15Å; H30-F157 AromaticContact NE2-CE1 3.32Å; H30-F157 VanDerWaalsContact NE2-CE1 3.32Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.43Å; H30-F157 AromaticContact NE2-CG 3.74Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 3.2Å; H30-F161 AromaticContact CD2-CE2 3.99Å; H30-F161 AromaticContact CE1-CD2 3.92Å; H30-F161 AromaticContact CE1-CE2 3.3Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.62Å; H30-F161 AromaticContact NE2-CE2 3.42Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.34Å |
| 31 | L | 84.9 | Confident | 87.6 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -81.7 | -49.5 | -174.2 | -175.5 | 65.8 | 0 | 0 | 0 | 112.8 | V27 K28 R29 H48 L50 | V27-L31 PolarHBondContact O-N 3.07Å; V27-L31 VanDerWaalsContact O-N 3.11Å; K28-L31 WeakPolarHBondContact O-CB 3.4Å; K28-L31 PolarHBondContact O-N 2.96Å; R29-L31 VanDerWaalsContact C-N 3.34Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.27Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-L50 HydrophobicContact CD1-CD2 4.18Å |
| 32 | T | 81.5 | Confident | 86.9 | Confident | 78 Ų | 78 | 55 Ų | 55 | 48% | 0.479 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -114.6 | -8.8 | -172.9 | 66.2 | 0 | 0 | 0 | 0 | 113 | K28 E34 | K28-T32 PolarHBondContact O-N 3.37Å; K28-T32 PolarHBondContact O-OG1 3.47Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.36Å; T32-E34 PolarHBondContact OG1-N 3.3Å |
| 33 | G | 78.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 77.8 | -17 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R29 A183 | R29-G33 WeakPolarHBondContact O-CA 3.28Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-G33 VanDerWaalsContact O-N 3.1Å; G33-A183 WeakPolarHBondContact O-CB 3.21Å; G33-A183 PolarHBondContact O-N 3.06Å |
| 34 | E | 77.8 | Confident | 85.8 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | trans | -76.8 | 145.7 | -172.3 | -61.9 | -178.5 | 166.1 | 0 | 0 | 112.9 | R29 T32 | R29-E34 WeakPolarHBondContact CA-O 3.4Å; R29-E34 WeakPolarHBondContact CB-O 3.35Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.36Å; T32-E34 PolarHBondContact OG1-N 3.3Å | ||
| 35 | F | 80.2 | Confident | 85.6 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 20% | 0.202 | 31% | 0.308 | C | S | . | . | trans | -96.5 | 113.9 | 172.4 | -177.4 | -101.1 | 0 | 0 | 0 | 111.1 | T25 R29 K37 A151 K152 E186 | T25-F35 HydrophobicContact CG2-CD2 3.43Å; T25-F35 VanDerWaalsContact CG2-CD2 3.43Å; T25-F35 HydrophobicContact CG2-CE2 3.34Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.16Å; R29-F35 VanDerWaalsContact NH1-CD2 3.35Å; F35-K37 HydrophobicContact CD1-CG 3.76Å; F35-K37 HydrophobicContact CE1-CG 4.02Å; F35-K37 PolarHBondContact O-N 2.94Å; F35-A151 WeakPolarHBondContact CD2-O 3.39Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.27Å; F35-K152 HydrophobicContact CE1-CD 4.46Å; F35-K152 HydrophobicContact CE1-CG 4.04Å; F35-K152 HydrophobicContact CE2-CB 3.68Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.96Å; F35-K152 HydrophobicContact CZ-CD 4.12Å; F35-K152 HydrophobicContact CZ-CG 3.6Å; F35-E186 HydrophobicContact CB-CG 3.63Å; F35-E186 HydrophobicContact CD1-CB 4.43Å; F35-E186 HydrophobicContact CD1-CG 3.81Å; F35-E186 HydrophobicContact CG-CG 3.86Å | ||
| 36 | E | 80.8 | Confident | 85.5 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | trans | -71.6 | 107.1 | 174.3 | -175.1 | 68.6 | -105.6 | 0 | 0 | 110.8 | T25 K28 K38 | T25-E36 HydrophobicContact CG2-CB 4.39Å; K28-E36 HydrophobicContact CD-CB 4.45Å; K28-E36 IonicContact NZ-OE2 2.8Å; K28-E36 PolarHBondContact NZ-OE2 3.44Å; E36-K38 WeakPolarHBondContact CG-O 3.44Å | ||
| 37 | K | 82.2 | Confident | 85.5 | Confident | 143 Ų | 143 | 67.5 Ų | 67.5 | 62% | 0.622 | 34% | 0.34 | S | S | * | . | trans | -79.3 | -30.7 | -179.9 | -67.3 | 179.8 | -178.8 | 178.2 | 0 | 113 | F35 E186 | F35-K37 HydrophobicContact CD1-CG 3.76Å; F35-K37 HydrophobicContact CE1-CG 4.02Å; F35-K37 PolarHBondContact O-N 2.94Å; K37-E186 WeakPolarHBondContact CE-OE1 3.28Å; K37-E186 WeakPolarHBondContact CE-OE2 3.25Å; K37-E186 VanDerWaalsContact NZ-CD 3.29Å; K37-E186 IonicContact NZ-OE1 3.04Å; K37-E186 PolarHBondContact NZ-OE1 3.45Å; K37-E186 IonicContact NZ-OE2 2.79Å; K37-E186 PolarHBondContact NZ-OE2 2.91Å | ||
| 38 | K | 85.6 | Confident | 85.5 | Confident | 164 Ų | 164 | 68.6 Ų | 68.6 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -94.5 | 127.3 | -176.4 | -67.4 | -175.1 | -178.8 | 177.6 | 0 | 109.6 | E36 V40 | E36-K38 WeakPolarHBondContact CG-O 3.44Å; K38-V40 PolarHBondContact O-N 3.4Å |
| 39 | Y | 84.9 | Confident | 85.7 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 53% | 0.533 | 35% | 0.352 | S | S | . | . | trans | -75.8 | 111.7 | 171.9 | 177.4 | -110.7 | 0 | 0 | 0 | 110.1 | A41 Q69 | Y39-A41 HydrophobicContact CE1-CB 4.16Å; Y39-Q69 PolarHBondContact OH-NE2 3.03Å | ||
| 40 | V | 85.2 | Confident | 85.9 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 67% | 0.673 | 35% | 0.353 | S | S | * | . | trans | -114.4 | 121.3 | 165 | -177 | 0 | 0 | 0 | 0 | 106.6 | K38 T42 | K38-V40 PolarHBondContact O-N 3.4Å; V40-T42 PolarHBondContact O-N 3.35Å | ||
| 41 | A | 86.6 | Confident | 86.1 | Confident | 31 Ų | 31 | 70.9 Ų | 70.9 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | trans | -68.8 | 126.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y39 L43 Q69 | Y39-A41 HydrophobicContact CE1-CB 4.16Å; A41-L43 PolarHBondContact O-N 3.12Å; A41-Q69 HydrophobicContact CB-CG 4.43Å | ||
| 42 | T | 82.1 | Confident | 86.5 | Confident | 13 Ų | 13 | 67.3 Ų | 67.3 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | trans | -56.3 | 133.7 | 171.7 | -40.3 | 0 | 0 | 0 | 0 | 110.3 | T24 V40 E46 D65 A67 | T24-T42 PolarHBondContact OG1-OG1 3.05Å; V40-T42 PolarHBondContact O-N 3.35Å; T42-E46 HydrophobicContact CG2-CG 4.18Å; T42-D65 PolarHBondContact OG1-OD2 3.08Å; T42-A67 WeakPolarHBondContact O-CB 3.32Å | ||
| 43 | L | 84.1 | Confident | 87.1 | Confident | 130 Ų | 130 | 68.2 Ų | 68.2 | 68% | 0.681 | 35% | 0.346 | S | S | * | . | trans | -100.2 | 112.3 | 174 | -60.3 | 178.5 | 0 | 0 | 0 | 108.4 | A41 V45 F72 | A41-L43 PolarHBondContact O-N 3.12Å; L43-V45 PolarHBondContact O-N 3.5Å; L43-V45 VanDerWaalsContact O-N 3.16Å; L43-F72 HydrophobicContact CD2-CE1 4.35Å; L43-F72 HydrophobicContact CD2-CE2 3.98Å; L43-F72 HydrophobicContact CD2-CZ 3.5Å; L43-F72 VanDerWaalsContact CD2-CZ 3.5Å | ||
| 44 | G | 84.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 68.6 Ų | 68.6 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 70.2 | -106.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 Y79 | G44-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 PolarHBondContact O-N 3.27Å; G44-Y79 VanDerWaalsContact CA-OH 3.26Å; G44-Y79 WeakPolarHBondContact CA-OH 3.04Å |
| 45 | V | 89.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.6 | -178.9 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | L43 V47 W64 D65 T66 Y79 | L43-V45 PolarHBondContact O-N 3.5Å; L43-V45 VanDerWaalsContact O-N 3.16Å; V45-V47 HydrophobicContact CG2-CG2 4.46Å; V45-W64 HydrophobicContact CG1-CE3 4.35Å; V45-W64 HydrophobicContact CG1-CZ3 4.48Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.23Å; V45-W64 HydrophobicContact CG2-CE3 3.83Å; V45-W64 HydrophobicContact CG2-CG 4.29Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.37Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; V45-Y79 HydrophobicContact CB-CD1 3.9Å; V45-Y79 HydrophobicContact CB-CE1 3.78Å; V45-Y79 HydrophobicContact CB-CE2 4.44Å; V45-Y79 HydrophobicContact CB-CG 4.3Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.5Å |
| 46 | E | 92.2 | Very high | 89.4 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.9 | 163.6 | -66.1 | -177.7 | -172.8 | 0 | 0 | 109.5 | T42 H48 D65 | T42-E46 HydrophobicContact CG2-CG 4.18Å; E46-H48 VanDerWaalsContact CB-NE2 3.34Å; E46-H48 WeakPolarHBondContact CB-NE2 3.2Å; E46-H48 IonicContact OE2-CE1 3.6Å; E46-H48 IonicContact OE2-NE2 2.7Å; E46-H48 PolarHBondContact OE2-NE2 3.38Å; E46-D65 PolarHBondContact N-O 3.49Å; E46-D65 PolarHBondContact O-N 2.92Å |
| 47 | V | 94.2 | Very high | 90 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.8 | -178.8 | -175 | 0 | 0 | 0 | 0 | 110 | V45 N62 V63 W64 | V45-V47 HydrophobicContact CG2-CG2 4.46Å; V47-N62 HydrophobicContact CG1-CB 4.34Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; V47-W64 HydrophobicContact CG2-CD2 3.89Å; V47-W64 HydrophobicContact CG2-CE3 4.48Å; V47-W64 HydrophobicContact CG2-CG 4.06Å; V47-W64 HydrophobicContact CG2-CZ2 4.28Å |
| 48 | H | 93.9 | Very high | 90.6 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.6 | -175.4 | -64.3 | -84.5 | 0 | 0 | 0 | 110.4 | V27 L31 E46 L50 V63 | V27-H48 HydrophobicContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CB 3.42Å; V27-H48 VanDerWaalsContact CG1-CG 3.46Å; L31-H48 WeakPolarHBondContact CD2-ND1 3.27Å; E46-H48 VanDerWaalsContact CB-NE2 3.34Å; E46-H48 WeakPolarHBondContact CB-NE2 3.2Å; E46-H48 IonicContact OE2-CE1 3.6Å; E46-H48 IonicContact OE2-NE2 2.7Å; E46-H48 PolarHBondContact OE2-NE2 3.38Å; H48-L50 PolarHBondContact O-N 3.04Å; H48-V63 PolarHBondContact N-O 3.06Å; H48-V63 PolarHBondContact O-N 3.34Å |
| 49 | P | 93.6 | Very high | 91 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.3 | 175.2 | 30.4 | -32.1 | 0 | 0 | 0 | 110.4 | K60 | P49-K60 HydrophobicContact CB-CD 4.07Å; P49-K60 HydrophobicContact CB-CG 4.4Å |
| 50 | L | 93.5 | Very high | 91.6 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.1 | 174.1 | -59.2 | -175.3 | 0 | 0 | 0 | 110.1 | H30 L31 H48 F52 K60 F61 V63 F161 | H30-L50 HydrophobicContact CB-CD1 3.56Å; H30-L50 HydrophobicContact CB-CD2 3.73Å; H30-L50 HydrophobicContact CB-CG 4.27Å; L31-L50 HydrophobicContact CB-CD2 3.97Å; L31-L50 HydrophobicContact CD1-CD2 4.18Å; H48-L50 PolarHBondContact O-N 3.04Å; L50-F52 HydrophobicContact CB-CE2 3.81Å; L50-F52 HydrophobicContact CB-CZ 4.48Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.36Å; L50-F61 PolarHBondContact N-O 3.4Å; L50-F61 PolarHBondContact O-N 2.93Å; L50-V63 HydrophobicContact CD1-CG2 3.71Å; L50-V63 HydrophobicContact CG-CG2 4.03Å; L50-F161 HydrophobicContact CD1-CE1 3.97Å; L50-F161 HydrophobicContact CD1-CZ 3.67Å |
| 51 | V | 92.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.9 | -179.9 | -178 | 0 | 0 | 0 | 0 | 110.1 | P58 I59 K60 | V51-P58 HydrophobicContact CG1-CB 4.05Å; V51-I59 WeakPolarHBondContact CA-O 3.49Å; V51-K60 HydrophobicContact CG2-CB 4.33Å; V51-K60 HydrophobicContact CG2-CG 4.2Å |
| 52 | F | 93.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.4 | 174.9 | -63.7 | -94.3 | 0 | 0 | 0 | 109.4 | H30 L50 P58 I59 F61 F161 F176 P180 | H30-F52 AromaticContact CD2-CE1 3.93Å; H30-F52 AromaticContact CD2-CZ 3.67Å; L50-F52 HydrophobicContact CB-CE2 3.81Å; L50-F52 HydrophobicContact CB-CZ 4.48Å; F52-P58 WeakPolarHBondContact O-CA 3.34Å; F52-I59 PolarHBondContact N-O 2.84Å; F52-I59 PolarHBondContact O-N 3.43Å; F52-F61 AromaticContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CE2 4.15Å; F52-F61 AromaticContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CE2 4.45Å; F52-F161 HydrophobicContact CD2-CB 4.5Å; F52-F161 HydrophobicContact CD2-CD1 4.45Å; F52-F161 HydrophobicContact CE1-CB 3.99Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.05Å; F52-F161 HydrophobicContact CE2-CB 3.99Å; F52-F161 AromaticContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD1 3.49Å; F52-F161 VanDerWaalsContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD2 4.26Å; F52-F161 AromaticContact CE2-CE1 3.94Å; F52-F161 HydrophobicContact CE2-CE1 3.94Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.71Å; F52-F161 AromaticContact CZ-CD1 3.64Å; F52-F161 HydrophobicContact CZ-CD1 3.64Å; F52-F161 AromaticContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CE1 4.08Å; F52-F161 AromaticContact CZ-CE2 3.99Å; F52-F161 HydrophobicContact CZ-CE2 3.99Å; F52-F161 AromaticContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CZ 4.24Å; F52-F176 HydrophobicContact CB-CD1 4.08Å; F52-F176 HydrophobicContact CB-CE1 3.62Å; F52-F176 HydrophobicContact CB-CE2 4.47Å; F52-F176 HydrophobicContact CB-CZ 3.83Å; F52-F176 HydrophobicContact CD1-CD2 4Å; F52-F176 HydrophobicContact CD1-CE1 4.15Å; F52-F176 AromaticContact CD1-CE2 3.45Å; F52-F176 HydrophobicContact CD1-CE2 3.45Å; F52-F176 VanDerWaalsContact CD1-CE2 3.45Å; F52-F176 AromaticContact CD1-CZ 3.53Å; F52-F176 HydrophobicContact CD1-CZ 3.53Å; F52-F176 AromaticContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CZ 4.23Å; F52-F176 HydrophobicContact CG-CE1 4.07Å; F52-F176 HydrophobicContact CG-CE2 4.15Å; F52-F176 AromaticContact CG-CZ 3.74Å; F52-F176 HydrophobicContact CG-CZ 3.74Å; F52-P180 HydrophobicContact CD1-CG 4.11Å; F52-P180 HydrophobicContact CE1-CG 3.92Å |
| 53 | H | 93 | Very high | 93.3 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.7 | 177.5 | -67.2 | 85 | 0 | 0 | 0 | 109.3 | F176 V177 A178 | H53-F176 CarbonylContact O-C 3.52Å; H53-F176 WeakPolarHBondContact O-CA 3.26Å; H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.44Å; H53-V177 PolarHBondContact O-N 2.75Å; H53-A178 HydrophobicContact CB-CB 4.49Å |
| 54 | T | 95 | Very high | 93.9 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 168.4 | -176.5 | 83.4 | 0 | 0 | 0 | 0 | 111.8 | R56 G57 I59 L174 E175 F176 | T54-R56 PolarHBondContact O-N 3.04Å; T54-R56 PolarHBondContact OG1-N 2.94Å; T54-G57 WeakPolarHBondContact CB-O 3.42Å; T54-G57 WeakPolarHBondContact CG2-O 3.34Å; T54-G57 PolarHBondContact N-O 2.87Å; T54-G57 PolarHBondContact O-N 3.07Å; T54-G57 VanDerWaalsContact O-N 3.07Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.06Å; T54-I59 HydrophobicContact CG2-CB 4.47Å; T54-I59 HydrophobicContact CG2-CD1 3.86Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; T54-L174 HydrophobicContact CG2-CD1 4.36Å; T54-L174 HydrophobicContact CG2-CD2 3.87Å; T54-L174 HydrophobicContact CG2-CG 4.26Å; T54-E175 CarbonylContact C-O 3.48Å; T54-E175 WeakPolarHBondContact CA-O 3.16Å; T54-E175 WeakPolarHBondContact CB-O 3.42Å; T54-F176 HydrophobicContact CG2-CD1 3.92Å; T54-F176 HydrophobicContact CG2-CE1 4.05Å |
| 55 | N | 95.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 3.8 | 168.8 | 65.3 | -14.4 | 0 | 0 | 0 | 114.1 | N173 L174 E175 V177 | N55-N173 PolarHBondContact ND2-O 2.73Å; N55-L174 WeakPolarHBondContact OD1-CA 2.98Å; N55-E175 PolarHBondContact N-O 2.96Å; N55-E175 PolarHBondContact OD1-N 2.91Å; N55-V177 HydrophobicContact CB-CG1 3.95Å |
| 56 | R | 94.8 | Very high | 94.4 | Very high | 148 Ų | 148 | 40.8 Ų | 40.8 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 11.3 | 172.6 | -57.4 | -64.8 | 179.8 | -99.7 | -6.1 | 112.8 | T54 D171 | T54-R56 PolarHBondContact O-N 3.04Å; T54-R56 PolarHBondContact OG1-N 2.94Å; R56-D171 IonicContact CZ-OD2 2.69Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 3.62Å; R56-D171 PolarHBondContact NE-OD2 3.31Å; R56-D171 IonicContact NH2-OD2 2.82Å; R56-D171 PolarHBondContact NH2-OD2 2.9Å |
| 57 | G | 93.7 | Very high | 94.1 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.5 | -177.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T54 | T54-G57 WeakPolarHBondContact CB-O 3.42Å; T54-G57 WeakPolarHBondContact CG2-O 3.34Å; T54-G57 PolarHBondContact N-O 2.87Å; T54-G57 PolarHBondContact O-N 3.07Å; T54-G57 VanDerWaalsContact O-N 3.07Å; T54-G57 PolarHBondContact OG1-N 2.9Å; T54-G57 PolarHBondContact OG1-O 3.06Å |
| 58 | P | 93.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 34.1 Ų | 34.1 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.5 | -175.8 | 30.4 | -33.9 | 0 | 0 | 0 | 112.2 | V51 F52 | V51-P58 HydrophobicContact CG1-CB 4.05Å; F52-P58 WeakPolarHBondContact O-CA 3.34Å |
| 59 | I | 95.1 | Very high | 92.5 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.2 | 171.6 | -63.6 | 179.1 | 0 | 0 | 0 | 108.8 | F11 V51 F52 T54 F61 A165 I169 L174 | F11-I59 HydrophobicContact CD2-CG2 3.75Å; F11-I59 HydrophobicContact CE2-CG2 3.77Å; V51-I59 WeakPolarHBondContact CA-O 3.49Å; F52-I59 PolarHBondContact N-O 2.84Å; F52-I59 PolarHBondContact O-N 3.43Å; T54-I59 HydrophobicContact CG2-CB 4.47Å; T54-I59 HydrophobicContact CG2-CD1 3.86Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.95Å; I59-F61 HydrophobicContact CG2-CZ 4.24Å; I59-A165 HydrophobicContact CD1-CB 4.04Å; I59-I169 HydrophobicContact CD1-CD1 3.91Å; I59-I169 HydrophobicContact CD1-CG1 3.63Å; I59-L174 HydrophobicContact CD1-CD1 3.72Å |
| 60 | K | 95.5 | Very high | 91.2 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127 | 175.4 | -175.2 | -174.9 | -66 | 165 | 0 | 111 | Q8 V9 Q10 F11 P49 L50 V51 N62 | Q8-K60 HydrophobicContact CG-CB 4.34Å; V9-K60 PolarHBondContact O-N 2.97Å; Q10-K60 CarbonylContact C-O 3.59Å; Q10-K60 WeakPolarHBondContact CA-O 3.38Å; Q10-K60 HydrophobicContact CB-CB 4.01Å; Q10-K60 HydrophobicContact CB-CD 4.45Å; F11-K60 PolarHBondContact N-O 3.21Å; P49-K60 HydrophobicContact CB-CD 4.07Å; P49-K60 HydrophobicContact CB-CG 4.4Å; L50-K60 CarbonylContact O-C 3.56Å; L50-K60 VanDerWaalsContact O-CA 3.3Å; L50-K60 WeakPolarHBondContact O-CA 3.36Å; V51-K60 HydrophobicContact CG2-CB 4.33Å; V51-K60 HydrophobicContact CG2-CG 4.2Å; K60-N62 WeakPolarHBondContact CD-OD1 3.48Å |
| 61 | F | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.2 | 162.2 | -67.6 | -81.3 | 0 | 0 | 0 | 108.8 | F11 L13 L50 F52 I59 V63 F161 L164 A165 L168 | F11-F61 HydrophobicContact CB-CD1 3.94Å; F11-F61 HydrophobicContact CB-CE1 4.08Å; F11-F61 HydrophobicContact CD2-CE1 4.13Å; F11-F61 HydrophobicContact CD2-CZ 4.5Å; F11-F61 HydrophobicContact CG-CE1 4.46Å; F11-F61 CarbonylContact O-C 3.51Å; F11-F61 WeakPolarHBondContact O-CA 3.34Å; L13-F61 HydrophobicContact CB-CB 4.36Å; L13-F61 HydrophobicContact CB-CD1 4.09Å; L13-F61 HydrophobicContact CD1-CB 4.48Å; L13-F61 HydrophobicContact CD1-CD1 3.86Å; L13-F61 HydrophobicContact CD1-CE1 4.37Å; L13-F61 HydrophobicContact CD1-CG 4.28Å; L50-F61 PolarHBondContact N-O 3.4Å; L50-F61 PolarHBondContact O-N 2.93Å; F52-F61 AromaticContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CD2 3.73Å; F52-F61 HydrophobicContact CD2-CE2 4.15Å; F52-F61 AromaticContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CD2 3.83Å; F52-F61 HydrophobicContact CE2-CE2 4.45Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.95Å; I59-F61 HydrophobicContact CG2-CZ 4.24Å; F61-V63 HydrophobicContact CB-CG2 3.99Å; F61-V63 PolarHBondContact O-N 3.2Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.29Å; F61-F161 AromaticContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CE1 4.32Å; F61-F161 HydrophobicContact CE2-CB 4.3Å; F61-F161 HydrophobicContact CE2-CD1 4Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.32Å; F61-L164 HydrophobicContact CE1-CB 4.21Å; F61-L164 HydrophobicContact CZ-CB 4.13Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.13Å; F61-L168 HydrophobicContact CE1-CD1 3.71Å; F61-L168 HydrophobicContact CZ-CD1 4.28Å |
| 62 | N | 97.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 96.3 | 164.9 | -65.9 | -52.8 | 0 | 0 | 0 | 106.4 | Q10 F11 L13 V47 K60 | Q10-N62 PolarHBondContact OE1-ND2 3.01Å; F11-N62 PolarHBondContact O-N 2.86Å; L13-N62 PolarHBondContact N-O 3.27Å; V47-N62 HydrophobicContact CG1-CB 4.34Å; K60-N62 WeakPolarHBondContact CD-OD1 3.48Å |
| 63 | V | 97.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.8 | -175.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | L13 L15 V27 V47 H48 L50 F61 D65 F161 | L13-V63 HydrophobicContact CB-CG2 4.31Å; L13-V63 HydrophobicContact CD2-CB 4.48Å; L13-V63 HydrophobicContact CD2-CG1 3.85Å; L13-V63 HydrophobicContact CD2-CG2 4.22Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.35Å; L15-V63 HydrophobicContact CB-CG1 4.05Å; L15-V63 HydrophobicContact CD2-CG1 4.4Å; V27-V63 HydrophobicContact CG1-CB 4.45Å; V27-V63 HydrophobicContact CG1-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.61Å; V47-V63 WeakPolarHBondContact CA-O 3.44Å; H48-V63 PolarHBondContact N-O 3.06Å; H48-V63 PolarHBondContact O-N 3.34Å; L50-V63 HydrophobicContact CD1-CG2 3.71Å; L50-V63 HydrophobicContact CG-CG2 4.03Å; F61-V63 HydrophobicContact CB-CG2 3.99Å; F61-V63 PolarHBondContact O-N 3.2Å; V63-D65 PolarHBondContact O-N 3.22Å; V63-F161 HydrophobicContact CG2-CE1 4.07Å; V63-F161 HydrophobicContact CG2-CZ 4.44Å |
| 64 | W | 96.2 | Very high | 85.3 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 94.4 | 173.2 | -70.7 | 51 | 0 | 0 | 0 | 107.5 | K12 L13 V14 L15 V45 V47 T66 Y79 | K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.3Å; K12-W64 HydrophobicContact CG-CG 4.48Å; L13-W64 PolarHBondContact O-N 3.32Å; V14-W64 HydrophobicContact CG1-CB 4.22Å; L15-W64 PolarHBondContact N-O 2.8Å; V45-W64 HydrophobicContact CG1-CE3 4.35Å; V45-W64 HydrophobicContact CG1-CZ3 4.48Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.23Å; V45-W64 HydrophobicContact CG2-CE3 3.83Å; V45-W64 HydrophobicContact CG2-CG 4.29Å; V47-W64 HydrophobicContact CG2-CD2 3.89Å; V47-W64 HydrophobicContact CG2-CE3 4.48Å; V47-W64 HydrophobicContact CG2-CG 4.06Å; V47-W64 HydrophobicContact CG2-CZ2 4.28Å; W64-T66 PolarHBondContact O-N 2.94Å; W64-Y79 HydrophobicContact CE3-CD1 4.2Å; W64-Y79 HydrophobicContact CZ3-CD1 4.04Å |
| 65 | D | 94.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 107.4 | 172.7 | -179.1 | 32 | 0 | 0 | 0 | 109 | K23 T24 V27 T42 V45 E46 V63 | K23-D65 VanDerWaalsContact CB-OD1 3.28Å; K23-D65 WeakPolarHBondContact CB-OD1 3.47Å; T24-D65 VanDerWaalsContact CA-OD2 3.26Å; T24-D65 WeakPolarHBondContact CA-OD2 3.36Å; T24-D65 VanDerWaalsContact CB-OD2 3.25Å; T24-D65 WeakPolarHBondContact CB-OD2 3.32Å; T24-D65 PolarHBondContact OG1-OD2 2.97Å; V27-D65 HydrophobicContact CG2-CB 4.43Å; T42-D65 PolarHBondContact OG1-OD2 3.08Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.37Å; E46-D65 PolarHBondContact N-O 3.49Å; E46-D65 PolarHBondContact O-N 2.92Å; V63-D65 PolarHBondContact O-N 3.22Å |
| 66 | T | 90.8 | Very high | 82.8 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 149.6 | -173.8 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | L15 V16 K23 V45 W64 G68 Y79 | L15-T66 PolarHBondContact O-N 2.82Å; L15-T66 PolarHBondContact O-OG1 3.42Å; V16-T66 HydrophobicContact CG1-CG2 4.43Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; V45-T66 HydrophobicContact CG2-CG2 4.34Å; W64-T66 PolarHBondContact O-N 2.94Å; T66-G68 PolarHBondContact O-N 2.98Å; T66-Y79 HydrophobicContact CG2-CD2 4.48Å |
| 67 | A | 86.2 | Confident | 82.1 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | trans | -63 | 121.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T42 G44 Q69 F72 | T42-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 WeakPolarHBondContact O-CB 3.32Å; G44-A67 PolarHBondContact O-N 3.27Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.98Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.72Å; A67-F72 HydrophobicContact CB-CG 4.21Å | ||
| 68 | G | 77.9 | Confident | 81.8 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | trans | -84.6 | 1.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | G17 G19 T66 | G17-G68 WeakPolarHBondContact O-CA 3.46Å; G19-G68 PolarHBondContact N-O 3.49Å; T66-G68 PolarHBondContact O-N 2.98Å | ||
| 69 | Q | 75.9 | Confident | 81.7 | Confident | 62 Ų | 62 | 48 Ų | 48 | 29% | 0.29 | 27% | 0.267 | S | S | . | . | trans | -87.2 | 137 | -176.6 | -59.1 | -70.8 | -40 | 0 | 0 | 110.2 | Y39 A41 A67 K71 F72 R76 | Y39-Q69 PolarHBondContact OH-NE2 3.03Å; A41-Q69 HydrophobicContact CB-CG 4.43Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.98Å; Q69-K71 HydrophobicContact CB-CG 3.93Å; Q69-K71 PolarHBondContact O-N 3.31Å; Q69-F72 HydrophobicContact CB-CD2 3.82Å; Q69-F72 HydrophobicContact CB-CE2 4.14Å; Q69-F72 HydrophobicContact CG-CE2 4.47Å; Q69-F72 PolarHBondContact O-N 3.21Å; Q69-F72 VanDerWaalsContact O-N 3.12Å; Q69-R76 PolarHBondContact O-NH2 3.32Å | ||
| 70 | E | 67.1 | Low | 81.6 | Confident | 161 Ų | 161 | 47.7 Ų | 47.7 | 75% | 0.752 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -60.4 | -33.4 | -178.6 | -63.6 | -166.7 | 169.8 | 0 | 0 | 113.1 | F72 G73 | E70-F72 PolarHBondContact O-N 3.32Å; E70-G73 PolarHBondContact O-N 3.04Å |
| 71 | K | 65.8 | Low | 81.5 | Confident | 160 Ų | 160 | 50.2 Ų | 50.2 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -57.8 | -15.7 | 176.5 | 63.4 | -178.3 | 176.9 | 178.5 | 0 | 114.7 | Q69 | Q69-K71 HydrophobicContact CB-CG 3.93Å; Q69-K71 PolarHBondContact O-N 3.31Å |
| 72 | F | 61.4 | Low | 81.5 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -106.4 | 11.9 | 175.5 | -55.5 | -60.9 | 0 | 0 | 0 | 113 | L43 A67 Q69 E70 G74 L75 | L43-F72 HydrophobicContact CD2-CE1 4.35Å; L43-F72 HydrophobicContact CD2-CE2 3.98Å; L43-F72 HydrophobicContact CD2-CZ 3.5Å; L43-F72 VanDerWaalsContact CD2-CZ 3.5Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.72Å; A67-F72 HydrophobicContact CB-CG 4.21Å; Q69-F72 HydrophobicContact CB-CD2 3.82Å; Q69-F72 HydrophobicContact CB-CE2 4.14Å; Q69-F72 HydrophobicContact CG-CE2 4.47Å; Q69-F72 PolarHBondContact O-N 3.21Å; Q69-F72 VanDerWaalsContact O-N 3.12Å; E70-F72 PolarHBondContact O-N 3.32Å; F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.09Å; F72-L75 PolarHBondContact O-N 2.98Å |
| 73 | G | 59 | Low | 81.5 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -57.5 | -32.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | E70 L75 R76 | E70-G73 PolarHBondContact O-N 3.04Å; G73-L75 VanDerWaalsContact C-N 3.26Å; G73-L75 PolarHBondContact O-N 2.79Å; G73-R76 WeakPolarHBondContact O-CB 3.44Å; G73-R76 VanDerWaalsContact O-CG 3.29Å; G73-R76 WeakPolarHBondContact O-CG 3.27Å; G73-R76 PolarHBondContact O-N 3.48Å |
| 74 | G | 60.5 | Low | 81.5 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 88% | 0.876 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F72 | F72-G74 VanDerWaalsContact C-N 3.27Å; F72-G74 PolarHBondContact O-N 3.09Å |
| 75 | L | 66.4 | Low | 81.7 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 57% | 0.571 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -97.8 | -1.6 | 179.8 | -66.1 | 174.7 | 0 | 0 | 0 | 113.7 | F72 G73 D77 G78 Y79 | F72-L75 PolarHBondContact O-N 2.98Å; G73-L75 VanDerWaalsContact C-N 3.26Å; G73-L75 PolarHBondContact O-N 2.79Å; L75-D77 PolarHBondContact O-N 3.05Å; L75-G78 PolarHBondContact O-N 3.36Å; L75-Y79 HydrophobicContact CB-CE2 3.81Å; L75-Y79 WeakPolarHBondContact O-CD2 3.23Å |
| 76 | R | 73.2 | Confident | 81.8 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | -169 | -73.7 | 178.4 | -176.9 | 177.5 | 5.9 | 113.7 | Q69 G73 G78 Y79 Y80 W104 | Q69-R76 PolarHBondContact O-NH2 3.32Å; G73-R76 WeakPolarHBondContact O-CB 3.44Å; G73-R76 VanDerWaalsContact O-CG 3.29Å; G73-R76 WeakPolarHBondContact O-CG 3.27Å; G73-R76 PolarHBondContact O-N 3.48Å; R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.46Å; R76-Y79 WeakPolarHBondContact O-CB 3.39Å; R76-Y79 PolarHBondContact O-N 2.88Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact O-N 2.98Å; R76-W104 VanDerWaalsContact CZ-CZ3 3.42Å |
| 77 | D | 80 | Confident | 82.2 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | -176.2 | -68.3 | -15.7 | 0 | 0 | 0 | 112 | L75 Y79 Y80 I81 R110 V111 | L75-D77 PolarHBondContact O-N 3.05Å; D77-Y79 VanDerWaalsContact C-N 3.25Å; D77-Y79 PolarHBondContact O-N 3.48Å; D77-Y80 PolarHBondContact O-N 3Å; D77-I81 PolarHBondContact O-N 3.38Å; D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NE 2.86Å; D77-R110 IonicContact OD1-NH2 2.8Å; D77-R110 PolarHBondContact OD1-NH2 2.7Å; D77-R110 IonicContact OD2-CZ 3.18Å; D77-R110 IonicContact OD2-NH2 3.39Å; D77-R110 PolarHBondContact OD2-NH2 2.48Å; D77-V111 HydrophobicContact CB-CG2 4.08Å |
| 78 | G | 88 | Confident | 82.8 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L75 R76 Y80 | L75-G78 PolarHBondContact O-N 3.36Å; R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.46Å; G78-Y80 VanDerWaalsContact C-N 3.32Å |
| 79 | Y | 90.7 | Very high | 83.8 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.4 | -28.1 | 175.7 | -57.4 | -41.8 | 0 | 0 | 0 | 112.5 | K12 G44 V45 W64 T66 L75 R76 D77 | K12-Y79 WeakPolarHBondContact CE-O 3.42Å; K12-Y79 PolarHBondContact NZ-O 3.02Å; G44-Y79 VanDerWaalsContact CA-OH 3.26Å; G44-Y79 WeakPolarHBondContact CA-OH 3.04Å; V45-Y79 HydrophobicContact CB-CD1 3.9Å; V45-Y79 HydrophobicContact CB-CE1 3.78Å; V45-Y79 HydrophobicContact CB-CE2 4.44Å; V45-Y79 HydrophobicContact CB-CG 4.3Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.5Å; W64-Y79 HydrophobicContact CE3-CD1 4.2Å; W64-Y79 HydrophobicContact CZ3-CD1 4.04Å; T66-Y79 HydrophobicContact CG2-CD2 4.48Å; L75-Y79 HydrophobicContact CB-CE2 3.81Å; L75-Y79 WeakPolarHBondContact O-CD2 3.23Å; R76-Y79 WeakPolarHBondContact O-CB 3.39Å; R76-Y79 PolarHBondContact O-N 2.88Å; D77-Y79 VanDerWaalsContact C-N 3.25Å; D77-Y79 PolarHBondContact O-N 3.48Å |
| 80 | Y | 93.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -79.4 | -30.1 | -178.5 | -57.8 | -24.5 | 0 | 0 | 0 | 113.8 | V14 V16 R76 D77 G78 Q82 A83 D107 L108 V111 C112 | V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.4Å; V14-Y80 HydrophobicContact CG2-CD1 4.37Å; V16-Y80 HydrophobicContact CG1-CD1 4.48Å; V16-Y80 HydrophobicContact CG1-CE1 3.49Å; V16-Y80 VanDerWaalsContact CG1-CE1 3.49Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact O-N 2.98Å; D77-Y80 PolarHBondContact O-N 3Å; G78-Y80 VanDerWaalsContact C-N 3.32Å; Y80-Q82 PolarHBondContact O-N 3.06Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.24Å; Y80-D107 HydrophobicContact CE2-CB 4.16Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.44Å; Y80-L108 HydrophobicContact CG-CD1 4.03Å; Y80-V111 HydrophobicContact CD2-CB 4.41Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; Y80-C112 PolarHBondContact O-SG 2.85Å |
| 81 | I | 93.9 | Very high | 86.3 | Confident | 93 Ų | 93 | 46.3 Ų | 46.3 | 48% | 0.477 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | 126.7 | -177 | -67.5 | 171.2 | 0 | 0 | 0 | 111.4 | K12 D77 A83 V111 | K12-I81 PolarHBondContact NZ-O 3.23Å; D77-I81 PolarHBondContact O-N 3.38Å; I81-A83 PolarHBondContact O-N 2.94Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å |
| 82 | Q | 95.6 | Very high | 87.9 | Confident | 160 Ų | 160 | 38.7 Ų | 38.7 | 75% | 0.748 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 21.2 | -179.8 | -60.4 | 170.7 | -12.9 | 0 | 0 | 115 | Y80 Q84 | Y80-Q82 PolarHBondContact O-N 3.06Å; Q82-Q84 PolarHBondContact O-N 2.79Å |
| 83 | A | 97.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | trans | -57.6 | 134.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V14 Y80 I81 I115 | V14-A83 HydrophobicContact CB-CB 4.43Å; V14-A83 HydrophobicContact CG1-CB 3.74Å; V14-A83 HydrophobicContact CG2-CB 3.82Å; Y80-A83 WeakPolarHBondContact O-CB 3.37Å; Y80-A83 PolarHBondContact O-N 3.24Å; I81-A83 PolarHBondContact O-N 2.94Å; A83-I115 HydrophobicContact CB-CD1 4.1Å; A83-I115 WeakPolarHBondContact O-CG2 3.2Å | ||
| 84 | Q | 98.4 | Very high | 91.5 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -100.6 | -22.4 | 176.4 | -70 | 157.4 | -76 | 0 | 0 | 110.7 | F11 K12 Q82 P116 L168 | F11-Q84 VanDerWaalsContact CA-OE1 3.27Å; F11-Q84 HydrophobicContact CB-CB 4.37Å; F11-Q84 HydrophobicContact CD1-CB 4.17Å; K12-Q84 PolarHBondContact O-N 3.27Å; Q82-Q84 PolarHBondContact O-N 2.79Å; Q84-P116 WeakPolarHBondContact O-CD 3.38Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.16Å |
| 85 | C | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 167.6 | 173.6 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | K12 L13 V14 P116 L164 L168 | K12-C85 PolarHBondContact O-N 3.45Å; L13-C85 WeakPolarHBondContact CA-O 3.3Å; V14-C85 PolarHBondContact N-O 3.14Å; C85-P116 VanDerWaalsContact CA-O 3.27Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.41Å; C85-L164 HydrophobicContact CB-CD1 4.2Å; C85-L164 HydrophobicContact CB-CD2 3.68Å; C85-L164 HydrophobicContact CB-CG 4.4Å; C85-L168 HydrophobicContact CB-CD1 3.98Å; C85-L168 HydrophobicContact CB-CD2 4.45Å |
| 86 | A | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V14 L108 I115 P116 I117 V118 | V14-A86 HydrophobicContact CG2-CB 3.53Å; V14-A86 VanDerWaalsContact O-CA 3.23Å; V14-A86 WeakPolarHBondContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CB 3.44Å; A86-L108 HydrophobicContact CB-CD1 4.32Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.47Å; A86-I115 HydrophobicContact CB-CD1 4.13Å; A86-P116 PolarHBondContact N-O 2.95Å; A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.32Å; A86-I117 WeakPolarHBondContact O-CA 3.39Å; A86-V118 PolarHBondContact O-N 2.93Å |
| 87 | I | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.2 | 163.1 | -63.9 | 175.1 | 0 | 0 | 0 | 107.5 | L13 V14 L15 V16 F26 V118 C120 P160 F161 L164 | L13-I87 HydrophobicContact CD1-CD1 4.02Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.45Å; L13-I87 HydrophobicContact CD2-CD1 4.22Å; L13-I87 HydrophobicContact CD2-CG1 4.19Å; V14-I87 PolarHBondContact O-N 3.39Å; L15-I87 WeakPolarHBondContact CA-O 3.3Å; L15-I87 HydrophobicContact CD1-CB 3.68Å; L15-I87 HydrophobicContact CD1-CG2 3.59Å; V16-I87 PolarHBondContact N-O 3.4Å; F26-I87 HydrophobicContact CE1-CD1 4.12Å; I87-V118 CarbonylContact C-O 3.57Å; I87-V118 VanDerWaalsContact CA-O 3.3Å; I87-V118 WeakPolarHBondContact CA-O 3.32Å; I87-V118 HydrophobicContact CG1-CB 4.38Å; I87-C120 HydrophobicContact CG2-CB 4.19Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.41Å; I87-L164 HydrophobicContact CD1-CD1 4.29Å; I87-L164 HydrophobicContact CG1-CD1 3.93Å |
| 88 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120 | 168.6 | -51.3 | -178.1 | 0 | 0 | 0 | 107.2 | V16 V101 W104 H105 I117 V118 L119 C120 | V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.68Å; V16-I88 HydrophobicContact CG2-CG2 4.26Å; V16-I88 WeakPolarHBondContact O-CA 3.46Å; I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; I88-W104 HydrophobicContact CG2-CB 4.14Å; I88-H105 HydrophobicContact CD1-CB 3.76Å; I88-I117 HydrophobicContact CD1-CG2 3.91Å; I88-I117 HydrophobicContact CG1-CG2 3.82Å; I88-V118 PolarHBondContact N-O 2.8Å; I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 WeakPolarHBondContact O-CA 2.98Å; I88-L119 WeakPolarHBondContact O-CD1 3.02Å; I88-C120 PolarHBondContact O-N 2.73Å |
| 89 | M | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.1 | -177.7 | -171.1 | 175.9 | -65.6 | 0 | 0 | 111.5 | L15 V16 G17 K23 F26 C120 N122 I149 | L15-M89 HydrophobicContact CD1-CB 4.39Å; L15-M89 HydrophobicContact CD1-CE 4.21Å; V16-M89 PolarHBondContact O-N 2.99Å; G17-M89 WeakPolarHBondContact CA-O 3.29Å; K23-M89 HydrophobicContact CG-CB 4.08Å; K23-M89 HydrophobicContact CG-SD 4.16Å; F26-M89 HydrophobicContact CB-CE 3.72Å; F26-M89 HydrophobicContact CD1-CE 3.92Å; F26-M89 HydrophobicContact CD2-CE 4.1Å; F26-M89 HydrophobicContact CG-CE 3.66Å; M89-C120 WeakPolarHBondContact CA-O 3.5Å; M89-N122 HydrophobicContact CG-CB 3.98Å; M89-N122 HydrophobicContact SD-CB 3.87Å; M89-I149 HydrophobicContact CE-CD1 3.73Å |
| 90 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 170.6 | 166.6 | 72.8 | -86 | 0 | 0 | 0 | 110.8 | V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146 | F90-V92 HydrophobicContact CE2-CG1 3.94Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.97Å; F90-Y98 HydrophobicContact CD1-CD2 3.97Å; F90-Y98 AromaticContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.27Å; F90-Y98 AromaticContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CG 4.36Å; F90-Y98 HydrophobicContact CG-CD2 4.04Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.34Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.31Å; F90-L119 HydrophobicContact CD1-CD1 3.72Å; F90-L119 HydrophobicContact CD1-CG 4.18Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.13Å; F90-L119 HydrophobicContact CE1-CG 3.87Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.97Å; F90-G121 VanDerWaalsContact CZ-CA 3.47Å; F90-N122 PolarHBondContact O-N 3.07Å; F90-V131 HydrophobicContact CE2-CB 4.17Å; F90-V131 HydrophobicContact CE2-CG1 3.85Å; F90-V131 HydrophobicContact CZ-CG1 4.47Å; F90-I136 HydrophobicContact CZ-CD1 4.01Å; F90-I136 HydrophobicContact CZ-CG1 4.27Å; F90-Y146 AromaticContact CE1-CE2 3.7Å; F90-Y146 HydrophobicContact CE1-CE2 3.7Å; F90-Y146 AromaticContact CZ-CE2 3.78Å; F90-Y146 HydrophobicContact CZ-CE2 3.78Å |
| 91 | D | 98.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.1 | 179 | -179.8 | -12.9 | 0 | 0 | 0 | 109.9 | T21 T93 S94 T97 K123 | T21-D91 HydrophobicContact CG2-CB 4.35Å; D91-T93 PolarHBondContact O-N 3.37Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.42Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.85Å; D91-T93 PolarHBondContact OD1-OG1 2.83Å; D91-T93 PolarHBondContact OD2-OG1 2.8Å; D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 3.29Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.1Å; D91-T97 PolarHBondContact O-OG1 2.95Å; D91-K123 WeakPolarHBondContact OD2-CD 3.12Å; D91-K123 WeakPolarHBondContact OD2-CE 3.42Å; D91-K123 IonicContact OD2-NZ 2.71Å; D91-K123 PolarHBondContact OD2-NZ 2.85Å |
| 92 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.7 | -178.5 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | F90 N122 V124 R129 K130 V131 | F90-V92 HydrophobicContact CE2-CG1 3.94Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 WeakPolarHBondContact CG2-O 3.44Å; V92-N122 PolarHBondContact N-O 3.49Å; V92-V124 HydrophobicContact CG1-CG1 4.04Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.14Å; V92-K130 WeakPolarHBondContact O-CA 3.5Å; V92-K130 PolarHBondContact O-N 3.27Å; V92-V131 PolarHBondContact O-N 3.39Å |
| 93 | T | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.5 | 175.1 | 72.1 | 0 | 0 | 0 | 0 | 113 | D91 I126 K130 | D91-T93 PolarHBondContact O-N 3.37Å; D91-T93 VanDerWaalsContact O-N 3.09Å; D91-T93 WeakPolarHBondContact OD1-CA 3.42Å; D91-T93 WeakPolarHBondContact OD1-CB 3.42Å; D91-T93 PolarHBondContact OD1-N 2.85Å; D91-T93 PolarHBondContact OD1-OG1 2.83Å; D91-T93 PolarHBondContact OD2-OG1 2.8Å; T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.82Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.74Å; T93-K130 WeakPolarHBondContact O-CG 3.15Å |
| 94 | S | 97.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 37.6 Ų | 37.6 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | trans | -128.8 | 100.1 | -174.5 | -174 | 0 | 0 | 0 | 0 | 111.9 | D91 V96 T97 | D91-S94 CarbonylContact O-C 3.6Å; D91-S94 PolarHBondContact O-N 3.29Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 VanDerWaalsContact OG-CG1 3.27Å; S94-V96 WeakPolarHBondContact OG-CG1 3.4Å; S94-T97 PolarHBondContact O-N 2.62Å; S94-T97 PolarHBondContact O-OG1 2.97Å | ||
| 95 | R | 97.4 | Very high | 97.3 | Very high | 176 Ų | 176 | 34.6 Ų | 34.6 | 66% | 0.664 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -55.8 | -35.4 | -178.1 | -65.5 | -177.4 | -177.6 | 150.6 | -0.4 | 113.5 | T97 Y98 K99 K130 V131 | R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.37Å; R95-Y98 PolarHBondContact O-N 3.13Å; R95-K99 PolarHBondContact O-N 2.87Å; R95-K130 HydrophobicContact CG-CB 3.99Å; R95-V131 HydrophobicContact CG-CG2 4.19Å |
| 96 | V | 97 | Very high | 97.1 | Very high | 82 Ų | 82 | 41 Ų | 41 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | S94 Y98 K99 N100 | S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 VanDerWaalsContact OG-CG1 3.27Å; S94-V96 WeakPolarHBondContact OG-CG1 3.4Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.24Å; V96-K99 WeakPolarHBondContact O-CB 3.36Å; V96-K99 PolarHBondContact O-N 2.66Å; V96-K99 VanDerWaalsContact O-N 3.16Å; V96-N100 PolarHBondContact O-N 3.09Å; V96-N100 PolarHBondContact O-ND2 2.89Å |
| 97 | T | 97.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -33.4 | -179.7 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | D18 T21 D91 S94 R95 | D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.26Å; T21-T97 HydrophobicContact CG2-CG2 3.88Å; D91-T97 HydrophobicContact CB-CG2 4.3Å; D91-T97 PolarHBondContact N-OG1 3.1Å; D91-T97 PolarHBondContact O-OG1 2.95Å; S94-T97 PolarHBondContact O-N 2.62Å; S94-T97 PolarHBondContact O-OG1 2.97Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 3.37Å |
| 98 | Y | 98.2 | Very high | 96.6 | Very high | 34 Ų | 34 | 42 Ų | 42 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.2 | -40.9 | 172.8 | -177.4 | -106.9 | 0 | 0 | 0 | 111.8 | F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138 | F90-Y98 AromaticContact CD1-CD2 3.97Å; F90-Y98 HydrophobicContact CD1-CD2 3.97Å; F90-Y98 AromaticContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CD2 4Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CD2 3.81Å; F90-Y98 HydrophobicContact CE1-CE2 4.27Å; F90-Y98 AromaticContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CD2 3.88Å; F90-Y98 HydrophobicContact CE2-CG 4.36Å; F90-Y98 HydrophobicContact CG-CD2 4.04Å; F90-Y98 AromaticContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CD2 3.79Å; F90-Y98 HydrophobicContact CZ-CE2 4.34Å; R95-Y98 PolarHBondContact O-N 3.13Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.24Å; Y98-N100 PolarHBondContact O-N 3.13Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.46Å; Y98-V101 PolarHBondContact O-N 3.24Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; Y98-V131 HydrophobicContact CD1-CG1 4.04Å; Y98-V131 HydrophobicContact CD2-CG1 4.28Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; Y98-S135 VanDerWaalsContact CE1-O 3.27Å; Y98-S135 WeakPolarHBondContact CE1-O 3.39Å; Y98-S135 PolarHBondContact OH-O 3.37Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.31Å; Y98-I136 HydrophobicContact CE2-CG2 3.94Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; Y98-V137 PolarHBondContact OH-N 3.05Å; Y98-F138 HydrophobicContact CE2-CB 4.49Å; Y98-F138 WeakPolarHBondContact OH-CB 3.39Å; Y98-F138 PolarHBondContact OH-N 3.17Å; Y98-F138 VanDerWaalsContact OH-N 3.09Å |
| 99 | K | 96.9 | Very high | 96.5 | Very high | 165 Ų | 165 | 44.2 Ų | 44.2 | 72% | 0.717 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56.8 | -30.2 | 174.4 | -171.9 | 179 | 179.5 | 177 | 0 | 112.5 | R95 V96 P102 | R95-K99 PolarHBondContact O-N 2.87Å; V96-K99 WeakPolarHBondContact O-CB 3.36Å; V96-K99 PolarHBondContact O-N 2.66Å; V96-K99 VanDerWaalsContact O-N 3.16Å; K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.27Å |
| 100 | N | 95.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.6 | 179.3 | -72.9 | -21.3 | 0 | 0 | 0 | 114.6 | D18 V96 Y98 P102 N103 W104 | D18-N100 WeakPolarHBondContact OD1-CB 3.49Å; D18-N100 PolarHBondContact OD2-ND2 3.02Å; V96-N100 PolarHBondContact O-N 3.09Å; V96-N100 PolarHBondContact O-ND2 2.89Å; Y98-N100 PolarHBondContact O-N 3.13Å; Y98-N100 VanDerWaalsContact O-N 3.17Å; N100-P102 VanDerWaalsContact C-CD 3.47Å; N100-N103 WeakPolarHBondContact O-CB 3.49Å; N100-N103 PolarHBondContact O-N 3.37Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.1Å |
| 101 | V | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -44.4 | 177.8 | 167.7 | 0 | 0 | 0 | 0 | 113 | I88 F90 Y98 N103 W104 H105 L119 F138 | I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.28Å; F90-V101 HydrophobicContact CB-CG2 4Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.31Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.46Å; Y98-V101 PolarHBondContact O-N 3.24Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.92Å; V101-W104 PolarHBondContact O-N 2.94Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.47Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.44Å; V101-L119 HydrophobicContact CG2-CD1 3.89Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.7Å; V101-F138 HydrophobicContact CG1-CG 4.12Å; V101-F138 HydrophobicContact CG1-CZ 4.5Å |
| 102 | P | 96.2 | Very high | 95.9 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 34% | 0.344 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.8 | -36.1 | 175.7 | -25.2 | 34.3 | 0 | 0 | 0 | 114.1 | K99 N100 R106 F138 | K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.27Å; N100-P102 VanDerWaalsContact C-CD 3.47Å; P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.3Å; P102-R106 PolarHBondContact O-N 3.06Å; P102-F138 HydrophobicContact CB-CD2 4.32Å; P102-F138 HydrophobicContact CB-CE2 3.69Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.78Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.42Å |
| 103 | N | 93.9 | Very high | 95.7 | Very high | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.4 | -49.6 | 177.9 | -67.1 | -38.4 | 0 | 0 | 0 | 110.8 | N100 V101 H105 R106 D107 | N100-N103 WeakPolarHBondContact O-CB 3.49Å; N100-N103 PolarHBondContact O-N 3.37Å; V101-N103 VanDerWaalsContact C-N 3.26Å; V101-N103 PolarHBondContact O-N 2.92Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.27Å; N103-R106 PolarHBondContact O-N 3.43Å; N103-R106 PolarHBondContact OD1-NH1 2.98Å; N103-R106 PolarHBondContact OD1-NH2 3.31Å; N103-D107 PolarHBondContact O-N 3.18Å |
| 104 | W | 95 | Very high | 95.4 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 176.3 | -71.6 | 107.3 | 0 | 0 | 0 | 112.5 | V16 G17 D18 R76 I88 N100 V101 L108 | V16-W104 HydrophobicContact CB-CD2 4.4Å; V16-W104 HydrophobicContact CB-CE3 3.78Å; V16-W104 HydrophobicContact CB-CZ3 4.17Å; V16-W104 HydrophobicContact CG1-CE3 4.43Å; V16-W104 HydrophobicContact CG2-CB 4.32Å; V16-W104 HydrophobicContact CG2-CE3 4.4Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact C-CZ2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.29Å; G17-W104 WeakPolarHBondContact O-CZ2 3.41Å; D18-W104 PolarHBondContact OD1-NE1 3.06Å; R76-W104 VanDerWaalsContact CZ-CZ3 3.42Å; I88-W104 HydrophobicContact CG2-CB 4.14Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.1Å; V101-W104 PolarHBondContact O-N 2.94Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 3.19Å; W104-L108 PolarHBondContact O-N 3.27Å |
| 105 | H | 95.7 | Very high | 95.5 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 176.2 | 176.2 | -82.1 | 0 | 0 | 0 | 111.6 | I88 V101 N103 D107 L108 V109 F138 | I88-H105 HydrophobicContact CD1-CB 3.76Å; V101-H105 WeakPolarHBondContact O-CB 3.36Å; V101-H105 PolarHBondContact O-N 3.47Å; N103-H105 VanDerWaalsContact C-N 3.29Å; N103-H105 PolarHBondContact O-N 3.27Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.8Å; H105-L108 PolarHBondContact O-N 2.85Å; H105-V109 WeakPolarHBondContact O-CG1 3.42Å; H105-V109 WeakPolarHBondContact O-CG2 3.15Å; H105-V109 PolarHBondContact O-N 3.04Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.58Å; H105-F138 AromaticContact CD2-CE1 3.93Å; H105-F138 AromaticContact CG-CE1 3.77Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.93Å |
| 106 | R | 93.8 | Very high | 95.5 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 178.6 | 178.7 | -166.7 | 63.8 | -135 | -9.4 | 111.2 | P102 N103 L108 R110 | P102-R106 VanDerWaalsContact O-CB 3.29Å; P102-R106 WeakPolarHBondContact O-CB 3.3Å; P102-R106 PolarHBondContact O-N 3.06Å; N103-R106 PolarHBondContact O-N 3.43Å; N103-R106 PolarHBondContact OD1-NH1 2.98Å; N103-R106 PolarHBondContact OD1-NH2 3.31Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.23Å; R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 PolarHBondContact O-N 3.36Å; R106-R110 VanDerWaalsContact O-N 3.1Å |
| 107 | D | 92.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 55.6 Ų | 55.6 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | -177.3 | -60.2 | -8 | 0 | 0 | 0 | 111.1 | Y80 N103 H105 | Y80-D107 HydrophobicContact CE2-CB 4.16Å; N103-D107 PolarHBondContact O-N 3.18Å; H105-D107 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 2.8Å |
| 108 | L | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -52.7 | 176 | 178 | 67.5 | 0 | 0 | 0 | 112.5 | V14 Y80 A86 W104 H105 R106 R110 V111 C112 I115 I117 | V14-L108 HydrophobicContact CG2-CD1 3.46Å; V14-L108 VanDerWaalsContact CG2-CD1 3.46Å; Y80-L108 HydrophobicContact CD1-CD1 3.99Å; Y80-L108 HydrophobicContact CD2-CD1 4.48Å; Y80-L108 HydrophobicContact CE1-CD1 4.44Å; Y80-L108 HydrophobicContact CG-CD1 4.03Å; A86-L108 HydrophobicContact CB-CD1 4.32Å; A86-L108 HydrophobicContact CB-CD2 3.39Å; A86-L108 HydrophobicContact CB-CG 4.47Å; W104-L108 VanDerWaalsContact O-CB 3.26Å; W104-L108 WeakPolarHBondContact O-CB 3.19Å; W104-L108 PolarHBondContact O-N 3.27Å; H105-L108 PolarHBondContact O-N 2.85Å; R106-L108 VanDerWaalsContact C-N 3.31Å; R106-L108 PolarHBondContact O-N 3.23Å; L108-R110 PolarHBondContact O-N 2.97Å; L108-V111 PolarHBondContact O-N 3.27Å; L108-C112 PolarHBondContact O-N 2.98Å; L108-I115 HydrophobicContact CD1-CD1 4.18Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; L108-I117 HydrophobicContact CD2-CD1 3.64Å; L108-I117 HydrophobicContact CD2-CG1 4.01Å |
| 109 | V | 94.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.2 | -19.5 | -175.8 | -58.1 | 0 | 0 | 0 | 0 | 113 | H105 V111 I117 | H105-V109 WeakPolarHBondContact O-CG1 3.42Å; H105-V109 WeakPolarHBondContact O-CG2 3.15Å; H105-V109 PolarHBondContact O-N 3.04Å; V109-V111 PolarHBondContact O-N 3.31Å; V109-I117 HydrophobicContact CG1-CD1 4.03Å |
| 110 | R | 93.8 | Very high | 95.7 | Very high | 153 Ų | 153 | 45.7 Ų | 45.7 | 58% | 0.577 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61.7 | -31.4 | 169.2 | -179.5 | -179.9 | 66.6 | 177.4 | 0.4 | 112.4 | D77 R106 L108 | D77-R110 IonicContact OD1-CZ 3.91Å; D77-R110 IonicContact OD1-NE 2.86Å; D77-R110 IonicContact OD1-NH2 2.8Å; D77-R110 PolarHBondContact OD1-NH2 2.7Å; D77-R110 IonicContact OD2-CZ 3.18Å; D77-R110 IonicContact OD2-NH2 3.39Å; D77-R110 PolarHBondContact OD2-NH2 2.48Å; R106-R110 WeakPolarHBondContact O-CB 3.48Å; R106-R110 PolarHBondContact O-N 3.36Å; R106-R110 VanDerWaalsContact O-N 3.1Å; L108-R110 PolarHBondContact O-N 2.97Å |
| 111 | V | 95 | Very high | 95.9 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -100.2 | -35.8 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | D77 Y80 I81 L108 V109 | D77-V111 HydrophobicContact CB-CG2 4.08Å; Y80-V111 HydrophobicContact CD2-CB 4.41Å; Y80-V111 HydrophobicContact CD2-CG2 4.08Å; I81-V111 HydrophobicContact CG1-CG1 4.04Å; L108-V111 PolarHBondContact O-N 3.27Å; V109-V111 PolarHBondContact O-N 3.31Å |
| 112 | C | 95 | Very high | 95.9 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -129.9 | 93.4 | -178 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | Y80 L108 I115 | Y80-C112 PolarHBondContact O-SG 2.85Å; L108-C112 PolarHBondContact O-N 2.98Å; C112-I115 HydrophobicContact CB-CD1 3.85Å; C112-I115 HydrophobicContact CB-CG1 4.24Å; C112-I115 HydrophobicContact CB-CG2 3.93Å |
| 113 | E | 93.6 | Very high | 96 | Very high | 152 Ų | 152 | 44.4 Ų | 44.4 | 71% | 0.71 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 141.4 | 176 | -62.2 | -177.1 | -176.6 | 0 | 0 | 110.9 | I115 | E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 2.87Å; E113-I115 VanDerWaalsContact O-N 3.12Å |
| 114 | N | 93 | Very high | 96.1 | Very high | 155 Ų | 155 | 41.4 Ų | 41.4 | 83% | 0.829 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 22.1 | 169 | -55.8 | -49.5 | 0 | 0 | 0 | 117.1 | ||
| 115 | I | 97.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | trans | -75.3 | 148.4 | 171.7 | 63.1 | 169.9 | 0 | 0 | 0 | 111.3 | A83 A86 L108 C112 E113 I117 | A83-I115 HydrophobicContact CB-CD1 4.1Å; A83-I115 WeakPolarHBondContact O-CG2 3.2Å; A86-I115 HydrophobicContact CB-CD1 4.13Å; L108-I115 HydrophobicContact CD1-CD1 4.18Å; L108-I115 HydrophobicContact CD2-CD1 4.32Å; L108-I115 HydrophobicContact CG-CD1 4.31Å; C112-I115 HydrophobicContact CB-CD1 3.85Å; C112-I115 HydrophobicContact CB-CG1 4.24Å; C112-I115 HydrophobicContact CB-CG2 3.93Å; E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 2.87Å; E113-I115 VanDerWaalsContact O-N 3.12Å; I115-I117 HydrophobicContact CD1-CG1 4.38Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.93Å; I115-I117 WeakPolarHBondContact O-CG1 3.48Å; I115-I117 PolarHBondContact O-N 2.94Å | ||
| 116 | P | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 45 Ų | 45 | 20% | 0.201 | 22% | 0.216 | C | C | . | . | trans | -62.9 | 126.5 | 169.8 | -22.4 | 34.2 | 0 | 0 | 0 | 111.2 | Q84 C85 A86 W163 L164 K167 L168 | Q84-P116 WeakPolarHBondContact O-CD 3.38Å; C85-P116 VanDerWaalsContact CA-O 3.27Å; C85-P116 WeakPolarHBondContact CA-O 3.35Å; C85-P116 WeakPolarHBondContact CB-O 3.41Å; A86-P116 PolarHBondContact N-O 2.95Å; P116-W163 HydrophobicContact CB-CH2 4.31Å; P116-W163 HydrophobicContact CB-CZ3 3.81Å; P116-L164 HydrophobicContact CB-CD2 3.75Å; P116-L164 WeakPolarHBondContact O-CD2 3.49Å; P116-K167 HydrophobicContact CB-CB 4Å; P116-K167 HydrophobicContact CB-CG 4.5Å; P116-K167 HydrophobicContact CG-CB 3.91Å; P116-L168 HydrophobicContact CG-CD2 4.21Å; P116-L168 HydrophobicContact CG-CG 4.48Å | ||
| 117 | I | 98.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133 | -179.5 | -55.9 | 165 | 0 | 0 | 0 | 109.5 | A86 I88 L108 V109 I115 L144 Q145 | A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.32Å; A86-I117 WeakPolarHBondContact O-CA 3.39Å; I88-I117 HydrophobicContact CD1-CG2 3.91Å; I88-I117 HydrophobicContact CG1-CG2 3.82Å; L108-I117 HydrophobicContact CD2-CD1 3.64Å; L108-I117 HydrophobicContact CD2-CG1 4.01Å; V109-I117 HydrophobicContact CG1-CD1 4.03Å; I115-I117 HydrophobicContact CD1-CG1 4.38Å; I115-I117 HydrophobicContact CG1-CD1 4.22Å; I115-I117 HydrophobicContact CG1-CG1 3.93Å; I115-I117 WeakPolarHBondContact O-CG1 3.48Å; I115-I117 PolarHBondContact O-N 2.94Å; I117-L144 HydrophobicContact CB-CD2 3.86Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; I117-Q145 PolarHBondContact O-N 2.92Å |
| 118 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.3 | 170.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | A86 I87 I88 Q145 Y147 P160 W163 L164 | A86-V118 PolarHBondContact O-N 2.93Å; I87-V118 CarbonylContact C-O 3.57Å; I87-V118 VanDerWaalsContact CA-O 3.3Å; I87-V118 WeakPolarHBondContact CA-O 3.32Å; I87-V118 HydrophobicContact CG1-CB 4.38Å; I88-V118 PolarHBondContact N-O 2.8Å; V118-Q145 CarbonylContact C-O 3.57Å; V118-Q145 WeakPolarHBondContact CA-O 3.45Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; V118-Y147 HydrophobicContact CG1-CD2 3.73Å; V118-Y147 HydrophobicContact CG1-CE2 4.27Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4.02Å; V118-P160 HydrophobicContact CG1-CG 4.42Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.42Å; V118-W163 VanDerWaalsContact CG2-CE3 3.42Å; V118-W163 HydrophobicContact CG2-CZ3 3.85Å; V118-L164 HydrophobicContact CG2-CD1 4.25Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.73Å |
| 119 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.5 | 168.9 | -179.3 | 65.1 | 0 | 0 | 0 | 109.4 | I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147 | I88-L119 HydrophobicContact CB-CD1 4.09Å; I88-L119 HydrophobicContact CG2-CD1 4.15Å; I88-L119 WeakPolarHBondContact O-CA 2.98Å; I88-L119 WeakPolarHBondContact O-CD1 3.02Å; F90-L119 HydrophobicContact CD1-CD1 3.72Å; F90-L119 HydrophobicContact CD1-CG 4.18Å; F90-L119 HydrophobicContact CE1-CD1 3.94Å; F90-L119 HydrophobicContact CE1-CD2 4.13Å; F90-L119 HydrophobicContact CE1-CG 3.87Å; Y98-L119 HydrophobicContact CE2-CD2 4.3Å; V101-L119 HydrophobicContact CB-CD1 4.46Å; V101-L119 HydrophobicContact CG1-CD1 3.65Å; V101-L119 HydrophobicContact CG1-CD2 4.44Å; V101-L119 HydrophobicContact CG2-CD1 3.89Å; L119-I136 HydrophobicContact CD2-CG2 4.28Å; L119-H139 HydrophobicContact CD2-CB 4.14Å; L119-Q145 PolarHBondContact N-O 2.99Å; L119-Y146 HydrophobicContact CB-CD2 4.15Å; L119-Y146 HydrophobicContact CD2-CD2 3.96Å; L119-Y146 HydrophobicContact CD2-CE2 4.48Å; L119-Y146 HydrophobicContact CG-CD2 3.9Å; L119-Y146 HydrophobicContact CG-CE2 4.34Å; L119-Y146 WeakPolarHBondContact O-CA 3.49Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.33Å; L119-Y147 PolarHBondContact O-N 2.83Å |
| 120 | C | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.9 | 180 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | I87 I88 M89 F90 Y147 I149 P160 | I87-C120 HydrophobicContact CG2-CB 4.19Å; I88-C120 PolarHBondContact O-N 2.73Å; M89-C120 WeakPolarHBondContact CA-O 3.5Å; F90-C120 WeakPolarHBondContact CD1-O 3.28Å; F90-C120 PolarHBondContact N-O 2.97Å; C120-Y147 WeakPolarHBondContact CA-O 3.32Å; C120-I149 HydrophobicContact CB-CD1 3.73Å; C120-I149 HydrophobicContact CB-CG1 4.11Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å |
| 121 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 101.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110 | F90 Y147 I149 | F90-G121 VanDerWaalsContact CZ-CA 3.47Å; G121-Y147 PolarHBondContact N-O 2.7Å; G121-I149 PolarHBondContact O-N 3.37Å |
| 122 | N | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 164.2 | -177.9 | -169.1 | 29 | 0 | 0 | 0 | 112.5 | T21 M89 F90 V92 I149 A151 | T21-N122 PolarHBondContact O-ND2 3.39Å; M89-N122 HydrophobicContact CG-CB 3.98Å; M89-N122 HydrophobicContact SD-CB 3.87Å; F90-N122 PolarHBondContact O-N 3.07Å; V92-N122 WeakPolarHBondContact CG1-O 3.27Å; V92-N122 WeakPolarHBondContact CG2-O 3.44Å; V92-N122 PolarHBondContact N-O 3.49Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.17Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.91Å; N122-I149 PolarHBondContact OD1-O 3.27Å; N122-A151 PolarHBondContact OD1-N 2.99Å |
| 123 | K | 97 | Very high | 96.2 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | trans | 71.1 | 32.3 | 176.9 | -45.8 | -169.9 | -166.4 | 166.3 | 0 | 114.7 | G20 D91 D125 I126 I149 | G20-K123 WeakPolarHBondContact O-CE 3.43Å; G20-K123 PolarHBondContact O-NZ 2.9Å; D91-K123 WeakPolarHBondContact OD2-CD 3.12Å; D91-K123 WeakPolarHBondContact OD2-CE 3.42Å; D91-K123 IonicContact OD2-NZ 2.71Å; D91-K123 PolarHBondContact OD2-NZ 2.85Å; K123-D125 WeakPolarHBondContact CA-OD1 3.46Å; K123-D125 PolarHBondContact O-N 3.26Å; K123-D125 VanDerWaalsContact O-N 3.15Å; K123-I126 HydrophobicContact CB-CD1 4.03Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.19Å; K123-I126 PolarHBondContact O-N 2.8Å; K123-I126 VanDerWaalsContact O-N 3.07Å; K123-I149 PolarHBondContact N-O 3.15Å | ||
| 124 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -12.6 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | V92 I126 D148 I149 Y155 M189 Y197 | V92-V124 HydrophobicContact CG1-CG1 4.04Å; V92-V124 HydrophobicContact CG2-CG1 4.17Å; V124-I126 PolarHBondContact O-N 2.84Å; V124-D148 HydrophobicContact CG1-CB 3.85Å; V124-I149 WeakPolarHBondContact CG2-O 3.14Å; V124-I149 PolarHBondContact N-O 3.45Å; V124-Y155 HydrophobicContact CG2-CD1 3.67Å; V124-Y155 HydrophobicContact CG2-CE1 4.16Å; V124-M189 HydrophobicContact CB-CE 4.24Å; V124-M189 HydrophobicContact CG2-CE 3.79Å; V124-M189 HydrophobicContact CG2-SD 4.17Å; V124-Y197 HydrophobicContact CB-CD2 4.14Å; V124-Y197 HydrophobicContact CB-CE2 3.95Å; V124-Y197 WeakPolarHBondContact O-CE2 3.45Å |
| 125 | D | 94.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.2 | 170.3 | 57.4 | -71.6 | 0 | 0 | 0 | 113.3 | K123 S150 K152 V187 M189 | K123-D125 WeakPolarHBondContact CA-OD1 3.46Å; K123-D125 PolarHBondContact O-N 3.26Å; K123-D125 VanDerWaalsContact O-N 3.15Å; D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.32Å; D125-S150 PolarHBondContact OD1-OG 3.34Å; D125-K152 WeakPolarHBondContact OD2-CD 3.3Å; D125-V187 HydrophobicContact CB-CG2 3.97Å; D125-M189 HydrophobicContact CB-SD 4.33Å |
| 126 | I | 94.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 44 Ų | 44 | 35% | 0.354 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -87.7 | 119.8 | 177.7 | -58.7 | 176.8 | 0 | 0 | 0 | 109.7 | T93 K123 V124 D128 | T93-I126 HydrophobicContact CG2-CB 3.72Å; T93-I126 HydrophobicContact CG2-CD1 3.82Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.74Å; K123-I126 HydrophobicContact CB-CD1 4.03Å; K123-I126 HydrophobicContact CB-CG1 4.43Å; K123-I126 HydrophobicContact CD-CD1 4.19Å; K123-I126 PolarHBondContact O-N 2.8Å; K123-I126 VanDerWaalsContact O-N 3.07Å; V124-I126 PolarHBondContact O-N 2.84Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.98Å |
| 127 | K | 91 | Very high | 95.8 | Very high | 178 Ų | 178 | 43.7 Ų | 43.7 | 77% | 0.774 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -58.9 | -35.6 | -177.4 | -67.7 | -172.4 | 177.1 | -174.1 | 0 | 113.8 | R129 | K127-R129 PolarHBondContact O-N 3.25Š|
| 128 | D | 93.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | trans | -80.5 | 59.8 | -179.5 | -170.4 | 21.3 | 0 | 0 | 0 | 112.3 | I126 K130 | I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.98Å; D128-K130 VanDerWaalsContact CG-CE 3.46Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.31Å; D128-K130 IonicContact OD1-NZ 3.68Å; D128-K130 PolarHBondContact OD1-NZ 3.18Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.65Å; D128-K130 PolarHBondContact OD2-NZ 3.39Å | ||
| 129 | R | 96.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | trans | -67.9 | 115.6 | 178.3 | -179.5 | 173.8 | -176.9 | 158.7 | 9.4 | 110.9 | V92 K127 V131 D148 Y197 | V92-R129 HydrophobicContact CB-CG 4.09Å; V92-R129 HydrophobicContact CG2-CG 4.14Å; K127-R129 PolarHBondContact O-N 3.25Å; R129-V131 WeakPolarHBondContact CG-O 2.95Å; R129-V131 PolarHBondContact NE-O 3.45Å; R129-D148 IonicContact CZ-OD1 3.52Å; R129-D148 IonicContact CZ-OD2 2.68Å; R129-D148 IonicContact NH1-OD1 2.65Å; R129-D148 IonicContact NH1-OD2 3.06Å; R129-D148 PolarHBondContact NH1-OD2 3.32Å; R129-D148 IonicContact NH2-OD1 2.62Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.24Å; R129-D148 PolarHBondContact NH2-OD2 3.42Å; R129-Y197 VanDerWaalsContact NH1-CD1 3.29Å | ||
| 130 | K | 96.9 | Very high | 95 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -90.5 | -31.3 | -179.2 | -57.6 | -56.2 | -172.4 | -169.9 | 0 | 113.9 | V92 T93 R95 D128 | V92-K130 WeakPolarHBondContact O-CA 3.5Å; V92-K130 PolarHBondContact O-N 3.27Å; T93-K130 WeakPolarHBondContact O-CG 3.15Å; R95-K130 HydrophobicContact CG-CB 3.99Å; D128-K130 VanDerWaalsContact CG-CE 3.46Å; D128-K130 PolarHBondContact O-N 3.33Å; D128-K130 WeakPolarHBondContact OD1-CE 3.31Å; D128-K130 IonicContact OD1-NZ 3.68Å; D128-K130 PolarHBondContact OD1-NZ 3.18Å; D128-K130 WeakPolarHBondContact OD2-CE 3.32Å; D128-K130 IonicContact OD2-NZ 3.65Å; D128-K130 PolarHBondContact OD2-NZ 3.39Å |
| 131 | V | 96.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -104.8 | 100.4 | 178 | -173.3 | 0 | 0 | 0 | 0 | 108.3 | F90 V92 R95 Y98 R129 I136 | F90-V131 HydrophobicContact CE2-CB 4.17Å; F90-V131 HydrophobicContact CE2-CG1 3.85Å; F90-V131 HydrophobicContact CZ-CG1 4.47Å; V92-V131 PolarHBondContact O-N 3.39Å; R95-V131 HydrophobicContact CG-CG2 4.19Å; Y98-V131 HydrophobicContact CD1-CG1 4.04Å; Y98-V131 HydrophobicContact CD2-CG1 4.28Å; Y98-V131 HydrophobicContact CG-CG1 3.85Å; R129-V131 WeakPolarHBondContact CG-O 2.95Å; R129-V131 PolarHBondContact NE-O 3.45Å; V131-I136 HydrophobicContact CG1-CD1 4.05Å; V131-I136 HydrophobicContact CG1-CG1 3.66Å |
| 132 | K | 94.5 | Very high | 94.4 | Very high | 118 Ų | 118 | 57.4 Ų | 57.4 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | trans | -89.7 | 159.1 | -175.8 | -63 | -170.7 | 176.1 | -169.6 | 0 | 111.1 | K134 S135 I136 | K132-K134 HydrophobicContact CB-CG 4.24Å; K132-K134 PolarHBondContact O-N 3.22Å; K132-K134 VanDerWaalsContact O-N 3.1Å; K132-S135 PolarHBondContact N-OG 2.97Å; K132-S135 VanDerWaalsContact N-OG 3.11Å; K132-S135 PolarHBondContact O-N 2.86Å; K132-S135 PolarHBondContact O-OG 2.9Å; K132-I136 WeakPolarHBondContact O-CG1 3.49Å | ||
| 133 | A | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -45 | -46.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S135 I136 D200 L201 A204 | A133-S135 PolarHBondContact O-N 2.85Å; A133-S135 VanDerWaalsContact O-N 3.13Å; A133-I136 PolarHBondContact O-N 3.43Å; A133-D200 HydrophobicContact CB-CB 3.84Å; A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.1Å; A133-A204 HydrophobicContact CB-CB 4.14Å |
| 134 | K | 91.9 | Very high | 94.2 | Very high | 172 Ų | 172 | 62.7 Ų | 62.7 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -57.5 | -26.9 | 178.1 | 69.4 | 176 | -172.5 | 170.1 | 0 | 115.7 | K132 | K132-K134 HydrophobicContact CB-CG 4.24Å; K132-K134 PolarHBondContact O-N 3.22Å; K132-K134 VanDerWaalsContact O-N 3.1Å |
| 135 | S | 92.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -88.1 | -10.6 | 178.1 | 50 | 0 | 0 | 0 | 0 | 113.3 | Y98 K132 A133 V137 | Y98-S135 VanDerWaalsContact CE1-O 3.27Å; Y98-S135 WeakPolarHBondContact CE1-O 3.39Å; Y98-S135 PolarHBondContact OH-O 3.37Å; K132-S135 PolarHBondContact N-OG 2.97Å; K132-S135 VanDerWaalsContact N-OG 3.11Å; K132-S135 PolarHBondContact O-N 2.86Å; K132-S135 PolarHBondContact O-OG 2.9Å; A133-S135 PolarHBondContact O-N 2.85Å; A133-S135 VanDerWaalsContact O-N 3.13Å; S135-V137 PolarHBondContact O-N 2.78Å; S135-V137 VanDerWaalsContact O-N 3.13Å |
| 136 | I | 94.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | trans | -92.9 | 71.8 | -171.5 | -57.4 | 163.7 | 0 | 0 | 0 | 109.2 | F90 Y98 L119 V131 K132 A133 H139 Y146 | F90-I136 HydrophobicContact CZ-CD1 4.01Å; F90-I136 HydrophobicContact CZ-CG1 4.27Å; Y98-I136 HydrophobicContact CE2-CB 4.39Å; Y98-I136 HydrophobicContact CE2-CG1 4.31Å; Y98-I136 HydrophobicContact CE2-CG2 3.94Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; L119-I136 HydrophobicContact CD2-CG2 4.28Å; V131-I136 HydrophobicContact CG1-CD1 4.05Å; V131-I136 HydrophobicContact CG1-CG1 3.66Å; K132-I136 WeakPolarHBondContact O-CG1 3.49Å; A133-I136 PolarHBondContact O-N 3.43Å; I136-H139 PolarHBondContact O-CE1 3.11Å; I136-H139 PolarHBondContact O-ND1 3.28Å; I136-Y146 HydrophobicContact CD1-CE1 4.3Å; I136-Y146 HydrophobicContact CD1-CE2 4.26Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.37Å; I136-Y146 HydrophobicContact CG2-CD2 3.81Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.26Å | ||
| 137 | V | 95 | Very high | 94.6 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 15% | 0.152 | 29% | 0.292 | C | S | . | . | trans | -96.7 | -17.1 | -176.1 | -63.8 | 0 | 0 | 0 | 0 | 114.2 | Y98 S135 H139 R140 K141 L209 | Y98-V137 PolarHBondContact OH-N 3.05Å; S135-V137 PolarHBondContact O-N 2.78Å; S135-V137 VanDerWaalsContact O-N 3.13Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.26Å; V137-R140 WeakPolarHBondContact O-CB 3.43Å; V137-R140 PolarHBondContact O-N 3.03Å; V137-K141 PolarHBondContact O-N 3.37Å; V137-L209 HydrophobicContact CB-CD2 3.82Å; V137-L209 HydrophobicContact CG1-CD2 3.91Å | ||
| 138 | F | 95.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -39.6 | -171.2 | -176.1 | -99.7 | 0 | 0 | 0 | 113.2 | Y98 V101 P102 H105 R140 K141 K142 L144 | Y98-F138 HydrophobicContact CE2-CB 4.49Å; Y98-F138 WeakPolarHBondContact OH-CB 3.39Å; Y98-F138 PolarHBondContact OH-N 3.17Å; Y98-F138 VanDerWaalsContact OH-N 3.09Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.7Å; V101-F138 HydrophobicContact CG1-CG 4.12Å; V101-F138 HydrophobicContact CG1-CZ 4.5Å; P102-F138 HydrophobicContact CB-CD2 4.32Å; P102-F138 HydrophobicContact CB-CE2 3.69Å; P102-F138 HydrophobicContact CB-CZ 4.23Å; P102-F138 HydrophobicContact CG-CD2 3.78Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.42Å; H105-F138 HydrophobicContact CB-CE1 3.72Å; H105-F138 HydrophobicContact CB-CZ 3.58Å; H105-F138 AromaticContact CD2-CE1 3.93Å; H105-F138 AromaticContact CG-CE1 3.77Å; H105-F138 AromaticContact CG-CZ 3.59Å; H105-F138 AromaticContact ND1-CZ 3.93Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 2.69Å; F138-K141 PolarHBondContact O-N 3.04Å; F138-K142 HydrophobicContact CD1-CG 4.46Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.87Å; F138-K142 HydrophobicContact CE2-CG 3.86Å; F138-K142 HydrophobicContact CZ-CB 4.47Å; F138-K142 HydrophobicContact CZ-CG 3.54Å; F138-K142 PolarHBondContact O-N 3.32Å; F138-K142 VanDerWaalsContact O-N 3.08Å; F138-L144 HydrophobicContact CD1-CD1 4.2Å; F138-L144 HydrophobicContact CE1-CD1 3.97Å |
| 139 | H | 92.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -35.6 | 179.5 | 73.4 | -81.7 | 0 | 0 | 0 | 112.5 | L119 I136 V137 K142 N143 L144 | L119-H139 HydrophobicContact CD2-CB 4.14Å; I136-H139 PolarHBondContact O-CE1 3.11Å; I136-H139 PolarHBondContact O-ND1 3.28Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.26Å; H139-K142 PolarHBondContact O-N 3.36Å; H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 2.86Å; H139-L144 HydrophobicContact CB-CB 4.02Å; H139-L144 PolarHBondContact O-N 3.25Å |
| 140 | R | 91.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.4 | -43.6 | 176.5 | -62.5 | 175.6 | 62.7 | -169.2 | 1.2 | 111.1 | V137 F138 K142 N143 A204 T207 L209 | V137-R140 WeakPolarHBondContact O-CB 3.43Å; V137-R140 PolarHBondContact O-N 3.03Å; F138-R140 VanDerWaalsContact C-N 3.27Å; F138-R140 PolarHBondContact O-N 2.69Å; R140-K142 PolarHBondContact O-N 2.86Å; R140-N143 PolarHBondContact O-N 2.82Å; R140-A204 PolarHBondContact NH1-O 2.65Å; R140-T207 VanDerWaalsContact CZ-O 3.25Å; R140-T207 PolarHBondContact NH1-O 3.38Å; R140-T207 PolarHBondContact NH2-O 3.43Å; R140-L209 HydrophobicContact CB-CD1 4.09Å; R140-L209 HydrophobicContact CB-CD2 4.04Å |
| 141 | K | 91.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 45 Ų | 45 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -29.1 | 178 | -64.3 | -170.7 | 176.8 | -169.5 | 0 | 113.1 | V137 F138 L209 D215 | V137-K141 PolarHBondContact O-N 3.37Å; F138-K141 PolarHBondContact O-N 3.04Å; K141-L209 HydrophobicContact CG-CD1 4.44Å; K141-D215 IonicContact NZ-OD2 2.86Å; K141-D215 PolarHBondContact NZ-OD2 3.21Å |
| 142 | K | 94.2 | Very high | 94.6 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 47% | 0.47 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -111.4 | 7.5 | -177.2 | -61.8 | -57.2 | -179.2 | -170.7 | 0 | 114.6 | F138 H139 R140 L144 | F138-K142 HydrophobicContact CD1-CG 4.46Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.34Å; F138-K142 HydrophobicContact CE1-CG 3.87Å; F138-K142 HydrophobicContact CE2-CG 3.86Å; F138-K142 HydrophobicContact CZ-CB 4.47Å; F138-K142 HydrophobicContact CZ-CG 3.54Å; F138-K142 PolarHBondContact O-N 3.32Å; F138-K142 VanDerWaalsContact O-N 3.08Å; H139-K142 PolarHBondContact O-N 3.36Å; R140-K142 PolarHBondContact O-N 2.86Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.14Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.01Å |
| 143 | N | 93.1 | Very high | 94.5 | Very high | 150 Ų | 150 | 43.2 Ų | 43.2 | 80% | 0.802 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 42.3 | -177.7 | -162.1 | 29.3 | 0 | 0 | 0 | 113.9 | H139 R140 | H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.4Å; H139-N143 PolarHBondContact O-N 2.86Å; R140-N143 PolarHBondContact O-N 2.82Å |
| 144 | L | 96.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | trans | -96.4 | 151.3 | 176.8 | -45.5 | -174.8 | 0 | 0 | 0 | 110.3 | I117 F138 H139 K142 | I117-L144 HydrophobicContact CB-CD2 3.86Å; I117-L144 HydrophobicContact CD1-CD2 4.42Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.33Å; F138-L144 HydrophobicContact CD1-CD1 4.2Å; F138-L144 HydrophobicContact CE1-CD1 3.97Å; H139-L144 HydrophobicContact CB-CB 4.02Å; H139-L144 PolarHBondContact O-N 3.25Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.19Å; K142-L144 HydrophobicContact CB-CD2 4.14Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.01Å | ||
| 145 | Q | 97.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 23% | 0.234 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 139.8 | 167.1 | -175.5 | 61.5 | 42.2 | 0 | 0 | 110.2 | I117 V118 L119 Y147 W163 | I117-Q145 PolarHBondContact O-N 2.92Å; V118-Q145 CarbonylContact C-O 3.57Å; V118-Q145 WeakPolarHBondContact CA-O 3.45Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; L119-Q145 PolarHBondContact N-O 2.99Å; Q145-Y147 HydrophobicContact CG-CD2 4.07Å; Q145-Y147 HydrophobicContact CG-CE1 4.48Å; Q145-Y147 HydrophobicContact CG-CE2 3.4Å; Q145-W163 HydrophobicContact CB-CD2 3.71Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.13Å; Q145-W163 HydrophobicContact CB-CG 4.16Å; Q145-W163 HydrophobicContact CB-CH2 4.07Å; Q145-W163 HydrophobicContact CB-CZ2 3.65Å; Q145-W163 HydrophobicContact CB-CZ3 4.29Å; Q145-W163 HydrophobicContact CG-CD2 4.01Å; Q145-W163 HydrophobicContact CG-CG 3.89Å |
| 146 | Y | 98.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.5 | 173.5 | 179.3 | -100.9 | 0 | 0 | 0 | 111.9 | F90 L119 I136 D148 L201 | F90-Y146 AromaticContact CE1-CE2 3.7Å; F90-Y146 HydrophobicContact CE1-CE2 3.7Å; F90-Y146 AromaticContact CZ-CE2 3.78Å; F90-Y146 HydrophobicContact CZ-CE2 3.78Å; L119-Y146 HydrophobicContact CB-CD2 4.15Å; L119-Y146 HydrophobicContact CD2-CD2 3.96Å; L119-Y146 HydrophobicContact CD2-CE2 4.48Å; L119-Y146 HydrophobicContact CG-CD2 3.9Å; L119-Y146 HydrophobicContact CG-CE2 4.34Å; L119-Y146 WeakPolarHBondContact O-CA 3.49Å; L119-Y146 VanDerWaalsContact O-CD2 3.27Å; L119-Y146 WeakPolarHBondContact O-CD2 3.33Å; I136-Y146 HydrophobicContact CD1-CE1 4.3Å; I136-Y146 HydrophobicContact CD1-CE2 4.26Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.37Å; I136-Y146 HydrophobicContact CG2-CD2 3.81Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.26Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.27Å; Y146-D148 PolarHBondContact OH-OD1 3.22Å; Y146-L201 HydrophobicContact CD1-CD1 4.16Å; Y146-L201 HydrophobicContact CD1-CD2 3.6Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.42Å; Y146-L201 VanDerWaalsContact CE1-CD2 3.42Å; Y146-L201 HydrophobicContact CE1-CG 4.29Å |
| 147 | Y | 98.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 18% | 0.18 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.2 | 165.9 | -66.6 | -65.4 | 0 | 0 | 0 | 111.8 | V118 L119 C120 G121 Q145 K159 P160 W163 | V118-Y147 HydrophobicContact CG1-CD2 3.73Å; V118-Y147 HydrophobicContact CG1-CE2 4.27Å; L119-Y147 PolarHBondContact O-N 2.83Å; C120-Y147 WeakPolarHBondContact CA-O 3.32Å; G121-Y147 PolarHBondContact N-O 2.7Å; Q145-Y147 HydrophobicContact CG-CD2 4.07Å; Q145-Y147 HydrophobicContact CG-CE1 4.48Å; Q145-Y147 HydrophobicContact CG-CE2 3.4Å; Y147-K159 HydrophobicContact CD1-CB 3.93Å; Y147-K159 HydrophobicContact CD1-CD 3.84Å; Y147-K159 HydrophobicContact CD2-CB 4.08Å; Y147-K159 HydrophobicContact CE1-CB 3.9Å; Y147-K159 HydrophobicContact CE1-CD 3.81Å; Y147-K159 HydrophobicContact CE1-CG 4.43Å; Y147-K159 HydrophobicContact CE2-CB 4.03Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; Y147-P160 HydrophobicContact CD2-CG 4.13Å; Y147-W163 HydrophobicContact CE2-CB 4.05Å |
| 148 | D | 98 | Very high | 94.2 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.8 | 157.2 | -89 | -6.9 | 0 | 0 | 0 | 108.6 | V124 R129 Y146 Y155 N156 L201 | V124-D148 HydrophobicContact CG1-CB 3.85Å; R129-D148 IonicContact CZ-OD1 3.52Å; R129-D148 IonicContact CZ-OD2 2.68Å; R129-D148 IonicContact NH1-OD1 2.65Å; R129-D148 IonicContact NH1-OD2 3.06Å; R129-D148 PolarHBondContact NH1-OD2 3.32Å; R129-D148 IonicContact NH2-OD1 2.62Å; R129-D148 PolarHBondContact NH2-OD1 3.27Å; R129-D148 IonicContact NH2-OD2 3.24Å; R129-D148 PolarHBondContact NH2-OD2 3.42Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.5Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.27Å; Y146-D148 PolarHBondContact OH-OD1 3.22Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; D148-N156 WeakPolarHBondContact O-CB 3.45Å; D148-N156 PolarHBondContact O-ND2 3.43Å; D148-L201 HydrophobicContact CB-CD1 4.32Å |
| 149 | I | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -134.6 | 158.3 | 177.6 | 67.7 | 168.6 | 0 | 0 | 0 | 111.2 | F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160 | F26-I149 HydrophobicContact CD2-CD1 3.67Å; F26-I149 HydrophobicContact CE2-CD1 3.67Å; F26-I149 HydrophobicContact CZ-CD1 4.48Å; M89-I149 HydrophobicContact CE-CD1 3.73Å; C120-I149 HydrophobicContact CB-CD1 3.73Å; C120-I149 HydrophobicContact CB-CG1 4.11Å; G121-I149 PolarHBondContact O-N 3.37Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.17Å; N122-I149 HydrophobicContact CB-CD1 4.17Å; N122-I149 HydrophobicContact CB-CG1 3.91Å; N122-I149 PolarHBondContact OD1-O 3.27Å; K123-I149 PolarHBondContact N-O 3.15Å; V124-I149 WeakPolarHBondContact CG2-O 3.14Å; V124-I149 PolarHBondContact N-O 3.45Å; I149-Y155 WeakPolarHBondContact CA-O 3.45Å; I149-N156 HydrophobicContact CG2-CB 4.16Å; I149-P160 HydrophobicContact CG2-CG 4.26Å | ||
| 150 | S | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 109.1 | 163.7 | 165.5 | 0 | 0 | 0 | 0 | 110 | D125 K152 S153 N154 Y155 | D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.32Å; D125-S150 PolarHBondContact OD1-OG 3.34Å; S150-K152 PolarHBondContact O-N 3.08Å; S150-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact OG-N 3.2Å; S150-S153 WeakPolarHBondContact CB-OG 3.08Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact OG-N 3.4Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.85Å; S150-N154 PolarHBondContact O-N 2.88Å; S150-Y155 PolarHBondContact N-O 3.46Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.25Å |
| 151 | A | 92.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T25 F26 R29 F35 N122 F157 | T25-A151 HydrophobicContact CG2-CB 4.26Å; F26-A151 HydrophobicContact CB-CB 4.22Å; R29-A151 WeakPolarHBondContact CD-O 3.43Å; R29-A151 PolarHBondContact NE-O 3.46Å; R29-A151 PolarHBondContact NH1-O 3.03Å; F35-A151 WeakPolarHBondContact CD2-O 3.39Å; N122-A151 PolarHBondContact OD1-N 2.99Å; A151-F157 HydrophobicContact CB-CE2 4.47Å |
| 152 | K | 91.2 | Very high | 95.1 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 30% | 0.304 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -30.9 | 178.5 | -159.8 | -178.9 | -178.9 | -166.9 | 0 | 113.3 | R29 F35 D125 S150 E186 V187 | R29-K152 VanDerWaalsContact NH1-CA 3.34Å; R29-K152 PolarHBondContact NH1-O 3.36Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.27Å; F35-K152 HydrophobicContact CE1-CD 4.46Å; F35-K152 HydrophobicContact CE1-CG 4.04Å; F35-K152 HydrophobicContact CE2-CB 3.68Å; F35-K152 HydrophobicContact CE2-CG 3.72Å; F35-K152 HydrophobicContact CZ-CB 3.96Å; F35-K152 HydrophobicContact CZ-CD 4.12Å; F35-K152 HydrophobicContact CZ-CG 3.6Å; D125-K152 WeakPolarHBondContact OD2-CD 3.3Å; S150-K152 PolarHBondContact O-N 3.08Å; S150-K152 VanDerWaalsContact O-N 3.1Å; S150-K152 PolarHBondContact OG-N 3.2Å; K152-E186 HydrophobicContact CG-CB 4Å; K152-E186 PolarHBondContact O-N 2.98Å; K152-E186 VanDerWaalsContact O-N 3.14Å; K152-V187 HydrophobicContact CB-CG2 4.07Å; K152-V187 HydrophobicContact CD-CB 4.48Å; K152-V187 HydrophobicContact CD-CG1 4.03Å; K152-V187 HydrophobicContact CD-CG2 3.65Å; K152-V187 HydrophobicContact CG-CG2 3.73Å |
| 153 | S | 90.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 0.3 | -175.7 | 62.6 | 0 | 0 | 0 | 0 | 114.8 | S150 Y155 V187 | S150-S153 WeakPolarHBondContact CB-OG 3.08Å; S150-S153 PolarHBondContact O-N 3.09Å; S150-S153 PolarHBondContact OG-N 3.4Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 2.85Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 3.26Å; S153-Y155 PolarHBondContact OG-N 3Å; S153-V187 VanDerWaalsContact CA-O 3.22Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.49Å |
| 154 | N | 91 | Very high | 95.5 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 17% | 0.166 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14.8 | -168.8 | -61.6 | -39.2 | 0 | 0 | 0 | 114.1 | R29 S150 N156 F157 L182 A183 | R29-N154 WeakPolarHBondContact CD-OD1 3.35Å; R29-N154 PolarHBondContact NE-OD1 3.16Å; R29-N154 PolarHBondContact NH2-ND2 3.39Å; S150-N154 PolarHBondContact O-N 2.88Å; N154-N156 PolarHBondContact O-N 2.74Å; N154-F157 HydrophobicContact CB-CB 4.48Å; N154-F157 WeakPolarHBondContact O-CB 3.22Å; N154-F157 PolarHBondContact O-N 2.85Å; N154-L182 HydrophobicContact CB-CD1 4.3Å; N154-A183 PolarHBondContact ND2-O 2.92Å |
| 155 | Y | 94.1 | Very high | 95.6 | Very high | 35 Ų | 35 | 22 Ų | 22 | 14% | 0.137 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 124.7 | -179.7 | -178.2 | -108.8 | 0 | 0 | 0 | 111.3 | V124 D148 I149 S150 S153 F157 M189 A194 | V124-Y155 HydrophobicContact CG2-CD1 3.67Å; V124-Y155 HydrophobicContact CG2-CE1 4.16Å; D148-Y155 HydrophobicContact CB-CE1 4.23Å; I149-Y155 WeakPolarHBondContact CA-O 3.45Å; S150-Y155 PolarHBondContact N-O 3.46Å; S150-Y155 VanDerWaalsContact N-O 3.08Å; S150-Y155 PolarHBondContact O-N 3.25Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 3.26Å; S153-Y155 PolarHBondContact OG-N 3Å; Y155-F157 PolarHBondContact O-N 3.11Å; Y155-M189 HydrophobicContact CD2-CG 4.09Å; Y155-M189 HydrophobicContact CG-CG 4.12Å; Y155-A194 HydrophobicContact CD2-CB 4.35Å; Y155-A194 HydrophobicContact CE2-CB 3.61Å |
| 156 | N | 94.2 | Very high | 95.6 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 10% | 0.102 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 27.9 | -178.5 | -68.7 | -25.4 | 0 | 0 | 0 | 114.5 | D148 I149 N154 E158 K159 P160 | D148-N156 WeakPolarHBondContact O-CB 3.45Å; D148-N156 PolarHBondContact O-ND2 3.43Å; I149-N156 HydrophobicContact CG2-CB 4.16Å; N154-N156 PolarHBondContact O-N 2.74Å; N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.35Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.88Å; N156-K159 HydrophobicContact CB-CG 4.15Å; N156-K159 PolarHBondContact O-N 3.1Å; N156-K159 WeakPolarHBondContact OD1-CD 3.02Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 2.64Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.44Å |
| 157 | F | 89.6 | Confident | 95.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | trans | -63.8 | -38.3 | -167.8 | -161 | -125.5 | 0 | 0 | 0 | 112.9 | F26 R29 H30 A151 N154 Y155 L182 | F26-F157 HydrophobicContact CB-CE2 4.46Å; F26-F157 AromaticContact CD2-CD2 3.58Å; F26-F157 HydrophobicContact CD2-CD2 3.58Å; F26-F157 AromaticContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CE2 3.26Å; F26-F157 HydrophobicContact CD2-CZ 4.26Å; F26-F157 AromaticContact CE2-CD2 3.5Å; F26-F157 HydrophobicContact CE2-CD2 3.5Å; F26-F157 AromaticContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CE2 3.62Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.01Å; F26-F157 WeakPolarHBondContact O-CZ 3.08Å; R29-F157 HydrophobicContact CB-CE1 4.3Å; R29-F157 HydrophobicContact CB-CE2 4.39Å; R29-F157 HydrophobicContact CB-CZ 3.59Å; R29-F157 HydrophobicContact CG-CE1 4Å; R29-F157 HydrophobicContact CG-CE2 4.42Å; R29-F157 HydrophobicContact CG-CZ 3.65Å; H30-F157 HydrophobicContact CB-CE1 4.15Å; H30-F157 HydrophobicContact CB-CZ 4.43Å; H30-F157 AromaticContact CD2-CD1 3.74Å; H30-F157 AromaticContact CD2-CE1 3.5Å; H30-F157 VanDerWaalsContact CD2-CE1 3.5Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.45Å; H30-F157 AromaticContact CE1-CD1 3.12Å; H30-F157 WeakPolarHBondContact CE1-CD1 2.9Å; H30-F157 AromaticContact CE1-CD2 3.61Å; H30-F157 AromaticContact CE1-CE1 2.98Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.37Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F157 AromaticContact CE1-CG 3.43Å; H30-F157 VanDerWaalsContact CE1-CG 3.43Å; H30-F157 WeakPolarHBondContact CE1-CG 3.36Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.38Å; H30-F157 PolarHBondContact CE1-O 3Å; H30-F157 AromaticContact CG-CE1 3.3Å; H30-F157 AromaticContact CG-CZ 3.67Å; H30-F157 AromaticContact ND1-CD1 3.7Å; H30-F157 AromaticContact ND1-CE1 3.02Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.46Å; H30-F157 AromaticContact ND1-CE2 3.63Å; H30-F157 AromaticContact ND1-CZ 2.95Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.47Å; H30-F157 AromaticContact NE2-CD1 3.17Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.15Å; H30-F157 AromaticContact NE2-CE1 3.32Å; H30-F157 VanDerWaalsContact NE2-CE1 3.32Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.43Å; H30-F157 AromaticContact NE2-CG 3.74Å; H30-F157 AromaticContact NE2-CZ 3.96Å; H30-F157 PolarHBondContact NE2-O 3.2Å; A151-F157 HydrophobicContact CB-CE2 4.47Å; N154-F157 HydrophobicContact CB-CB 4.48Å; N154-F157 WeakPolarHBondContact O-CB 3.22Å; N154-F157 PolarHBondContact O-N 2.85Å; Y155-F157 PolarHBondContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.65Å; F157-L182 HydrophobicContact CD1-CD2 3.95Å; F157-L182 HydrophobicContact CD1-CG 4.48Å; F157-L182 HydrophobicContact CE1-CD1 4.13Å; F157-L182 HydrophobicContact CE1-CD2 3.57Å | ||
| 158 | E | 92.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 29 Ų | 29 | 25% | 0.248 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -82.7 | -20.9 | 179.5 | 68.4 | -72.8 | 159.6 | 0 | 0 | 114.5 | N156 F161 L162 F176 | N156-E158 VanDerWaalsContact C-N 3.33Å; N156-E158 PolarHBondContact O-N 3.35Å; E158-F161 PolarHBondContact O-N 3.44Å; E158-F161 VanDerWaalsContact O-N 3.14Å; E158-L162 PolarHBondContact O-N 3.07Å; E158-F176 HydrophobicContact CB-CD2 4.01Å; E158-F176 HydrophobicContact CB-CE2 3.96Å; E158-F176 HydrophobicContact CG-CD2 4.46Å |
| 159 | K | 96.4 | Very high | 95.6 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 27% | 0.265 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.2 | -43.9 | -172.6 | -68.5 | -167.9 | 176.6 | 166.9 | 0 | 113.6 | Y147 N156 F161 L162 W163 | Y147-K159 HydrophobicContact CD1-CB 3.93Å; Y147-K159 HydrophobicContact CD1-CD 3.84Å; Y147-K159 HydrophobicContact CD2-CB 4.08Å; Y147-K159 HydrophobicContact CE1-CB 3.9Å; Y147-K159 HydrophobicContact CE1-CD 3.81Å; Y147-K159 HydrophobicContact CE1-CG 4.43Å; Y147-K159 HydrophobicContact CE2-CB 4.03Å; Y147-K159 HydrophobicContact CG-CB 4.04Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.88Å; N156-K159 HydrophobicContact CB-CG 4.15Å; N156-K159 PolarHBondContact O-N 3.1Å; N156-K159 WeakPolarHBondContact OD1-CD 3.02Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 2.64Å; K159-F161 PolarHBondContact O-N 3.31Å; K159-L162 PolarHBondContact O-N 3.27Å; K159-W163 PolarHBondContact O-N 3.4Å |
| 160 | P | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176 | -26.1 | 36 | 0 | 0 | 0 | 112.7 | F26 I87 V118 C120 Y147 I149 N156 W163 L164 | F26-P160 HydrophobicContact CZ-CG 4.41Å; I87-P160 HydrophobicContact CD1-CB 3.78Å; I87-P160 HydrophobicContact CG1-CB 4.44Å; V118-P160 HydrophobicContact CB-CB 4.47Å; V118-P160 HydrophobicContact CG1-CB 4.02Å; V118-P160 HydrophobicContact CG1-CG 4.42Å; C120-P160 VanDerWaalsContact SG-CG 3.51Å; Y147-P160 HydrophobicContact CD2-CG 4.13Å; I149-P160 HydrophobicContact CG2-CG 4.26Å; N156-P160 VanDerWaalsContact O-CD 3.3Å; N156-P160 WeakPolarHBondContact O-CD 3.44Å; P160-W163 PolarHBondContact O-N 3.1Å; P160-L164 WeakPolarHBondContact O-CB 3.47Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.45Å; P160-L164 PolarHBondContact O-N 2.81Å |
| 161 | F | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | -179.1 | -67.6 | -80.8 | 0 | 0 | 0 | 112.1 | L13 F26 H30 L50 F52 F61 V63 I87 E158 K159 L164 A165 F176 | L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.8Å; F26-F161 AromaticContact CE1-CE2 3.47Å; F26-F161 HydrophobicContact CE1-CE2 3.47Å; F26-F161 VanDerWaalsContact CE1-CE2 3.47Å; F26-F161 AromaticContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CE1-CZ 3.77Å; F26-F161 HydrophobicContact CZ-CD2 4.26Å; F26-F161 AromaticContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CE2 3.48Å; F26-F161 VanDerWaalsContact CZ-CE2 3.48Å; F26-F161 HydrophobicContact CZ-CZ 4.25Å; H30-F161 AromaticContact CD2-CE2 3.99Å; H30-F161 AromaticContact CE1-CD2 3.92Å; H30-F161 AromaticContact CE1-CE2 3.3Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.4Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.62Å; H30-F161 AromaticContact NE2-CE2 3.42Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.34Å; L50-F161 HydrophobicContact CD1-CE1 3.97Å; L50-F161 HydrophobicContact CD1-CZ 3.67Å; F52-F161 HydrophobicContact CD2-CB 4.5Å; F52-F161 HydrophobicContact CD2-CD1 4.45Å; F52-F161 HydrophobicContact CE1-CB 3.99Å; F52-F161 HydrophobicContact CE1-CD2 4.17Å; F52-F161 HydrophobicContact CE1-CG 4.05Å; F52-F161 HydrophobicContact CE2-CB 3.99Å; F52-F161 AromaticContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD1 3.49Å; F52-F161 VanDerWaalsContact CE2-CD1 3.49Å; F52-F161 HydrophobicContact CE2-CD2 4.26Å; F52-F161 AromaticContact CE2-CE1 3.94Å; F52-F161 HydrophobicContact CE2-CE1 3.94Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.71Å; F52-F161 AromaticContact CZ-CD1 3.64Å; F52-F161 HydrophobicContact CZ-CD1 3.64Å; F52-F161 AromaticContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CD2 3.53Å; F52-F161 HydrophobicContact CZ-CE1 4.08Å; F52-F161 AromaticContact CZ-CE2 3.99Å; F52-F161 HydrophobicContact CZ-CE2 3.99Å; F52-F161 AromaticContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CG 3.33Å; F52-F161 HydrophobicContact CZ-CZ 4.24Å; F61-F161 HydrophobicContact CB-CD1 4.44Å; F61-F161 HydrophobicContact CB-CE1 4.29Å; F61-F161 AromaticContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CD1 3.65Å; F61-F161 HydrophobicContact CD2-CE1 4.32Å; F61-F161 HydrophobicContact CE2-CB 4.3Å; F61-F161 HydrophobicContact CE2-CD1 4Å; F61-F161 HydrophobicContact CG-CD1 4.01Å; F61-F161 HydrophobicContact CG-CE1 4.32Å; V63-F161 HydrophobicContact CG2-CE1 4.07Å; V63-F161 HydrophobicContact CG2-CZ 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.41Å; E158-F161 PolarHBondContact O-N 3.44Å; E158-F161 VanDerWaalsContact O-N 3.14Å; K159-F161 PolarHBondContact O-N 3.31Å; F161-L164 PolarHBondContact O-N 2.99Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.18Å; F161-F176 HydrophobicContact CB-CE2 4.18Å; F161-F176 HydrophobicContact CB-CZ 3.94Å |
| 162 | L | 97.8 | Very high | 95.9 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -45.9 | 178 | -176.5 | 60.2 | 0 | 0 | 0 | 111.5 | E158 K159 A165 R166 L174 F176 | E158-L162 PolarHBondContact O-N 3.07Å; K159-L162 PolarHBondContact O-N 3.27Å; L162-A165 PolarHBondContact O-N 3.42Å; L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.4Å; L162-R166 PolarHBondContact O-N 3.16Å; L162-L174 HydrophobicContact CD1-CD2 3.68Å; L162-F176 HydrophobicContact CB-CD2 4.38Å; L162-F176 HydrophobicContact CB-CE2 3.85Å; L162-F176 HydrophobicContact CB-CZ 3.95Å; L162-F176 HydrophobicContact CD1-CD1 3.9Å; L162-F176 HydrophobicContact CD1-CD2 4.39Å; L162-F176 HydrophobicContact CD1-CE1 3.91Å; L162-F176 HydrophobicContact CD1-CE2 4.39Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.17Å |
| 163 | W | 98.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 42.4 Ų | 42.4 | 17% | 0.167 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 177.6 | -174.5 | 96.8 | 0 | 0 | 0 | 111.7 | P116 V118 Q145 Y147 K159 P160 R166 K167 | P116-W163 HydrophobicContact CB-CH2 4.31Å; P116-W163 HydrophobicContact CB-CZ3 3.81Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.42Å; V118-W163 VanDerWaalsContact CG2-CE3 3.42Å; V118-W163 HydrophobicContact CG2-CZ3 3.85Å; Q145-W163 HydrophobicContact CB-CD2 3.71Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.13Å; Q145-W163 HydrophobicContact CB-CG 4.16Å; Q145-W163 HydrophobicContact CB-CH2 4.07Å; Q145-W163 HydrophobicContact CB-CZ2 3.65Å; Q145-W163 HydrophobicContact CB-CZ3 4.29Å; Q145-W163 HydrophobicContact CG-CD2 4.01Å; Q145-W163 HydrophobicContact CG-CG 3.89Å; Y147-W163 HydrophobicContact CE2-CB 4.05Å; K159-W163 PolarHBondContact O-N 3.4Å; P160-W163 PolarHBondContact O-N 3.1Å; W163-R166 PolarHBondContact O-N 3.21Å; W163-K167 HydrophobicContact CD2-CG 4Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.44Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.19Å; W163-K167 HydrophobicContact CZ2-CG 3.82Å; W163-K167 HydrophobicContact CZ3-CG 3.9Å; W163-K167 WeakPolarHBondContact O-CG 3.29Å; W163-K167 PolarHBondContact O-N 3.49Å |
| 164 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 175.7 | -73.3 | 176.2 | 0 | 0 | 0 | 111.6 | L13 F61 C85 I87 P116 V118 P160 F161 R166 K167 L168 | L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.42Å; F61-L164 HydrophobicContact CE1-CB 4.21Å; F61-L164 HydrophobicContact CZ-CB 4.13Å; C85-L164 HydrophobicContact CB-CD1 4.2Å; C85-L164 HydrophobicContact CB-CD2 3.68Å; C85-L164 HydrophobicContact CB-CG 4.4Å; I87-L164 HydrophobicContact CD1-CD1 4.29Å; I87-L164 HydrophobicContact CG1-CD1 3.93Å; P116-L164 HydrophobicContact CB-CD2 3.75Å; P116-L164 WeakPolarHBondContact O-CD2 3.49Å; V118-L164 HydrophobicContact CG2-CD1 4.25Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.73Å; P160-L164 WeakPolarHBondContact O-CB 3.47Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.45Å; P160-L164 PolarHBondContact O-N 2.81Å; F161-L164 PolarHBondContact O-N 2.99Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-K167 PolarHBondContact O-N 2.81Å; L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 WeakPolarHBondContact O-CD1 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.06Å |
| 165 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I59 F61 F161 L162 K167 L168 I169 L174 | I59-A165 HydrophobicContact CD1-CB 4.04Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.13Å; F161-A165 VanDerWaalsContact O-CB 3.27Å; F161-A165 WeakPolarHBondContact O-CB 3.49Å; F161-A165 PolarHBondContact O-N 3.18Å; L162-A165 PolarHBondContact O-N 3.42Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.01Å; A165-L168 PolarHBondContact O-N 3.22Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.46Å; A165-I169 VanDerWaalsContact O-CG1 3.22Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 2.97Å; A165-L174 HydrophobicContact CB-CD1 4.31Å; A165-L174 HydrophobicContact CB-CD2 3.89Å |
| 166 | R | 98.4 | Very high | 96.8 | Very high | 81 Ų | 81 | 46 Ų | 46 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 175.5 | -73.5 | 171.5 | 174.1 | 178.4 | -5.5 | 112.1 | L162 W163 L164 G170 D171 P172 L174 | L162-R166 VanDerWaalsContact O-CG 3.32Å; L162-R166 WeakPolarHBondContact O-CG 3.4Å; L162-R166 PolarHBondContact O-N 3.16Å; W163-R166 PolarHBondContact O-N 3.21Å; L164-R166 PolarHBondContact O-N 3.35Å; R166-G170 WeakPolarHBondContact O-CA 3.34Å; R166-G170 PolarHBondContact O-N 3.23Å; R166-D171 WeakPolarHBondContact CG-O 3.22Å; R166-D171 PolarHBondContact O-N 3.2Å; R166-P172 PolarHBondContact NE-O 2.83Å; R166-L174 HydrophobicContact CG-CB 3.93Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.18Å; R166-L174 PolarHBondContact NH2-O 3.36Å |
| 167 | K | 98.2 | Very high | 96.8 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 54% | 0.535 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 179.4 | -73.1 | -64.7 | -172.4 | 179.7 | 0 | 113 | P116 W163 L164 A165 | P116-K167 HydrophobicContact CB-CB 4Å; P116-K167 HydrophobicContact CB-CG 4.5Å; P116-K167 HydrophobicContact CG-CB 3.91Å; W163-K167 HydrophobicContact CD2-CG 4Å; W163-K167 HydrophobicContact CE3-CG 3.98Å; W163-K167 HydrophobicContact CH2-CD 4.44Å; W163-K167 HydrophobicContact CH2-CG 3.83Å; W163-K167 HydrophobicContact CZ2-CD 4.19Å; W163-K167 HydrophobicContact CZ2-CG 3.82Å; W163-K167 HydrophobicContact CZ3-CG 3.9Å; W163-K167 WeakPolarHBondContact O-CG 3.29Å; W163-K167 PolarHBondContact O-N 3.49Å; L164-K167 PolarHBondContact O-N 2.81Å; A165-K167 VanDerWaalsContact C-N 3.33Å; A165-K167 PolarHBondContact O-N 3.01Å |
| 168 | L | 98 | Very high | 96.5 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -73.8 | -36 | -177.4 | -70 | 163.7 | 0 | 0 | 0 | 112.7 | F11 F61 Q84 C85 P116 L164 A165 | F11-L168 HydrophobicContact CB-CD1 4.08Å; F11-L168 HydrophobicContact CD1-CB 4.26Å; F11-L168 HydrophobicContact CD1-CD1 3.92Å; F11-L168 HydrophobicContact CD1-CD2 4.05Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.45Å; F11-L168 HydrophobicContact CD2-CD1 3.82Å; F11-L168 HydrophobicContact CE1-CB 3.82Å; F11-L168 HydrophobicContact CE1-CD1 4.33Å; F11-L168 HydrophobicContact CE1-CD2 4.2Å; F11-L168 HydrophobicContact CE1-CG 4.34Å; F11-L168 HydrophobicContact CE2-CB 4Å; F11-L168 HydrophobicContact CE2-CD1 4.21Å; F11-L168 HydrophobicContact CG-CD1 3.67Å; F11-L168 HydrophobicContact CZ-CB 3.68Å; F11-L168 HydrophobicContact CZ-CD1 4.46Å; F61-L168 HydrophobicContact CE1-CD1 3.71Å; F61-L168 HydrophobicContact CZ-CD1 4.28Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.16Å; C85-L168 HydrophobicContact CB-CD1 3.98Å; C85-L168 HydrophobicContact CB-CD2 4.45Å; P116-L168 HydrophobicContact CG-CD2 4.21Å; P116-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 HydrophobicContact CB-CD1 4.42Å; L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 WeakPolarHBondContact O-CD1 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 3.06Å; A165-L168 PolarHBondContact O-N 3.22Å |
| 169 | I | 97.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 35% | 0.349 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -82.9 | -25.3 | 177.1 | -60.1 | -62.8 | 0 | 0 | 0 | 111.6 | V9 F11 I59 A165 D171 L174 | V9-I169 HydrophobicContact CG1-CD1 3.98Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.87Å; I59-I169 HydrophobicContact CD1-CD1 3.91Å; I59-I169 HydrophobicContact CD1-CG1 3.63Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.46Å; A165-I169 VanDerWaalsContact O-CG1 3.22Å; A165-I169 WeakPolarHBondContact O-CG1 3.5Å; A165-I169 PolarHBondContact O-N 2.97Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 HydrophobicContact CG2-CB 4.11Å; I169-L174 HydrophobicContact CB-CD1 4.12Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.25Å |
| 170 | G | 97.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 65% | 0.649 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 18.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | R166 | R166-G170 WeakPolarHBondContact O-CA 3.34Å; R166-G170 PolarHBondContact O-N 3.23Å |
| 171 | D | 97.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | trans | -115 | 105.1 | 177.2 | -173.3 | -5.6 | 0 | 0 | 0 | 110.4 | R56 R166 I169 N173 L174 | R56-D171 IonicContact CZ-OD2 2.69Å; R56-D171 VanDerWaalsContact CZ-OD2 3.24Å; R56-D171 IonicContact NE-OD2 3.62Å; R56-D171 PolarHBondContact NE-OD2 3.31Å; R56-D171 IonicContact NH2-OD2 2.82Å; R56-D171 PolarHBondContact NH2-OD2 2.9Å; R166-D171 WeakPolarHBondContact CG-O 3.22Å; R166-D171 PolarHBondContact O-N 3.2Å; I169-D171 VanDerWaalsContact C-N 3.34Å; I169-D171 HydrophobicContact CG2-CB 4.11Å; D171-N173 PolarHBondContact O-N 2.88Å; D171-N173 WeakPolarHBondContact OD1-CA 3.36Å; D171-N173 WeakPolarHBondContact OD1-CB 3.31Å; D171-N173 PolarHBondContact OD1-N 3.09Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.37Å; D171-L174 PolarHBondContact O-N 2.85Å | ||
| 172 | P | 97.4 | Very high | 91.6 | Very high | 93 Ų | 93 | 62 Ų | 62 | 60% | 0.604 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.6 | 177 | 27.6 | -34 | 0 | 0 | 0 | 113.4 | R166 L174 | R166-P172 PolarHBondContact NE-O 2.83Å; P172-L174 VanDerWaalsContact C-N 3.31Å |
| 173 | N | 97.7 | Very high | 90.3 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.8 | 178.6 | -52.9 | -59.3 | 0 | 0 | 0 | 112.6 | N55 D171 E175 | N55-N173 PolarHBondContact ND2-O 2.73Å; D171-N173 PolarHBondContact O-N 2.88Å; D171-N173 WeakPolarHBondContact OD1-CA 3.36Å; D171-N173 WeakPolarHBondContact OD1-CB 3.31Å; D171-N173 PolarHBondContact OD1-N 3.09Å; N173-E175 PolarHBondContact O-N 3.21Å |
| 174 | L | 97.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | trans | -64.2 | 132.2 | 173 | -175.1 | 153.9 | 0 | 0 | 0 | 109.6 | T54 N55 I59 L162 A165 R166 I169 D171 P172 F176 | T54-L174 HydrophobicContact CG2-CD1 4.36Å; T54-L174 HydrophobicContact CG2-CD2 3.87Å; T54-L174 HydrophobicContact CG2-CG 4.26Å; N55-L174 WeakPolarHBondContact OD1-CA 2.98Å; I59-L174 HydrophobicContact CD1-CD1 3.72Å; L162-L174 HydrophobicContact CD1-CD2 3.68Å; A165-L174 HydrophobicContact CB-CD1 4.31Å; A165-L174 HydrophobicContact CB-CD2 3.89Å; R166-L174 HydrophobicContact CG-CB 3.93Å; R166-L174 VanDerWaalsContact CZ-O 3.29Å; R166-L174 PolarHBondContact NE-O 3.18Å; R166-L174 PolarHBondContact NH2-O 3.36Å; I169-L174 HydrophobicContact CB-CD1 4.12Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.25Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.37Å; D171-L174 PolarHBondContact O-N 2.85Å; P172-L174 VanDerWaalsContact C-N 3.31Å; L174-F176 HydrophobicContact CD2-CD1 4.45Å; L174-F176 HydrophobicContact CD2-CE1 4.31Å | ||
| 175 | E | 96.6 | Very high | 88.4 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 54% | 0.537 | 40% | 0.404 | S | S | . | . | trans | -135 | 147.8 | -179.8 | -68.9 | -177 | 174 | 0 | 0 | 110.5 | T54 N55 N173 | T54-E175 CarbonylContact C-O 3.48Å; T54-E175 WeakPolarHBondContact CA-O 3.16Å; T54-E175 WeakPolarHBondContact CB-O 3.42Å; N55-E175 PolarHBondContact N-O 2.96Å; N55-E175 PolarHBondContact OD1-N 2.91Å; N173-E175 PolarHBondContact O-N 3.21Å | ||
| 176 | F | 94.8 | Very high | 87.6 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 17% | 0.171 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 123.4 | 170.1 | -65.3 | -19.8 | 0 | 0 | 0 | 109.6 | F52 H53 T54 E158 F161 L162 L174 | F52-F176 HydrophobicContact CB-CD1 4.08Å; F52-F176 HydrophobicContact CB-CE1 3.62Å; F52-F176 HydrophobicContact CB-CE2 4.47Å; F52-F176 HydrophobicContact CB-CZ 3.83Å; F52-F176 HydrophobicContact CD1-CD2 4Å; F52-F176 HydrophobicContact CD1-CE1 4.15Å; F52-F176 AromaticContact CD1-CE2 3.45Å; F52-F176 HydrophobicContact CD1-CE2 3.45Å; F52-F176 VanDerWaalsContact CD1-CE2 3.45Å; F52-F176 AromaticContact CD1-CZ 3.53Å; F52-F176 HydrophobicContact CD1-CZ 3.53Å; F52-F176 AromaticContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CE2 3.94Å; F52-F176 HydrophobicContact CE1-CZ 4.23Å; F52-F176 HydrophobicContact CG-CE1 4.07Å; F52-F176 HydrophobicContact CG-CE2 4.15Å; F52-F176 AromaticContact CG-CZ 3.74Å; F52-F176 HydrophobicContact CG-CZ 3.74Å; H53-F176 CarbonylContact O-C 3.52Å; H53-F176 WeakPolarHBondContact O-CA 3.26Å; T54-F176 HydrophobicContact CG2-CD1 3.92Å; T54-F176 HydrophobicContact CG2-CE1 4.05Å; E158-F176 HydrophobicContact CB-CD2 4.01Å; E158-F176 HydrophobicContact CB-CE2 3.96Å; E158-F176 HydrophobicContact CG-CD2 4.46Å; F161-F176 HydrophobicContact CB-CE2 4.18Å; F161-F176 HydrophobicContact CB-CZ 3.94Å; L162-F176 HydrophobicContact CB-CD2 4.38Å; L162-F176 HydrophobicContact CB-CE2 3.85Å; L162-F176 HydrophobicContact CB-CZ 3.95Å; L162-F176 HydrophobicContact CD1-CD1 3.9Å; L162-F176 HydrophobicContact CD1-CD2 4.39Å; L162-F176 HydrophobicContact CD1-CE1 3.91Å; L162-F176 HydrophobicContact CD1-CE2 4.39Å; L162-F176 HydrophobicContact CD1-CG 4.16Å; L162-F176 HydrophobicContact CD1-CZ 4.17Å; L174-F176 HydrophobicContact CD2-CD1 4.45Å; L174-F176 HydrophobicContact CD2-CE1 4.31Å |
| 177 | V | 93.6 | Very high | 86.9 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -91.6 | -12.4 | -178.3 | -64.8 | 0 | 0 | 0 | 0 | 113 | H53 N55 | H53-V177 HydrophobicContact CB-CG2 3.95Å; H53-V177 WeakPolarHBondContact O-CG2 3.44Å; H53-V177 PolarHBondContact O-N 2.75Å; N55-V177 HydrophobicContact CB-CG1 3.95Å |
| 178 | A | 83.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -144.4 | 135.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | H53 | H53-A178 HydrophobicContact CB-CB 4.49Š|
| 179 | M | 72.7 | Confident | 85.8 | Confident | 144 Ų | 144 | 69.7 Ų | 69.7 | 71% | 0.709 | 43% | 0.426 | S | S | * | . | trans | -70.8 | 140.4 | 167.2 | -71.8 | -170.7 | 165 | 0 | 0 | 109 | ||||
| 180 | P | 68.1 | Low | 85.5 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 21% | 0.214 | 43% | 0.43 | C | S | . | . | trans | -51.3 | 145.4 | 164.1 | -21.8 | 32.2 | 0 | 0 | 0 | 109.5 | F52 L182 | F52-P180 HydrophobicContact CD1-CG 4.11Å; F52-P180 HydrophobicContact CE1-CG 3.92Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 HydrophobicContact CB-CD2 4.34Å; P180-L182 PolarHBondContact O-N 2.79Å | ||
| 181 | A | 68.4 | Low | 85.2 | Confident | 101 Ų | 101 | 72 Ų | 72 | 84% | 0.835 | 43% | 0.43 | S | S | * | . | trans | -68.3 | 86.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 182 | L | 71.5 | Confident | 85 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.236 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 137.7 | 177.2 | -59.1 | 176.4 | 0 | 0 | 0 | 109.5 | R29 N154 F157 P180 | R29-L182 WeakPolarHBondContact O-CD2 3.34Å; N154-L182 HydrophobicContact CB-CD1 4.3Å; F157-L182 HydrophobicContact CD1-CD1 3.65Å; F157-L182 HydrophobicContact CD1-CD2 3.95Å; F157-L182 HydrophobicContact CD1-CG 4.48Å; F157-L182 HydrophobicContact CE1-CD1 4.13Å; F157-L182 HydrophobicContact CE1-CD2 3.57Å; P180-L182 VanDerWaalsContact C-N 3.26Å; P180-L182 HydrophobicContact CB-CD2 4.34Å; P180-L182 PolarHBondContact O-N 2.79Å |
| 183 | A | 71.8 | Confident | 84.7 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 155.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G33 N154 | G33-A183 WeakPolarHBondContact O-CB 3.21Å; G33-A183 PolarHBondContact O-N 3.06Å; N154-A183 PolarHBondContact ND2-O 2.92Å |
| 184 | P | 77.9 | Confident | 84.4 | Confident | 111 Ų | 111 | 66.2 Ų | 66.2 | 72% | 0.721 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 147.3 | 177.7 | -27.9 | 35.1 | 0 | 0 | 0 | 112.7 | R29 E186 | R29-P184 PolarHBondContact NH2-O 2.72Å; R29-P184 VanDerWaalsContact NH2-O 3.07Å; P184-E186 PolarHBondContact O-N 3.5Å |
| 185 | P | 79.8 | Confident | 84.2 | Confident | 58 Ų | 58 | 68.9 Ų | 68.9 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 137 | 175.3 | 24.8 | -32.7 | 0 | 0 | 0 | 111.6 | R29 V187 | R29-P185 VanDerWaalsContact NH2-CA 3.3Å; P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 WeakPolarHBondContact CB-O 3.37Å |
| 186 | E | 80.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 42% | 0.416 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -72.6 | -26.4 | 173.5 | -79.9 | -84.5 | 171.8 | 0 | 0 | 111.1 | F35 K37 K152 P184 | F35-E186 HydrophobicContact CB-CG 3.63Å; F35-E186 HydrophobicContact CD1-CB 4.43Å; F35-E186 HydrophobicContact CD1-CG 3.81Å; F35-E186 HydrophobicContact CG-CG 3.86Å; K37-E186 WeakPolarHBondContact CE-OE1 3.28Å; K37-E186 WeakPolarHBondContact CE-OE2 3.25Å; K37-E186 VanDerWaalsContact NZ-CD 3.29Å; K37-E186 IonicContact NZ-OE1 3.04Å; K37-E186 PolarHBondContact NZ-OE1 3.45Å; K37-E186 IonicContact NZ-OE2 2.79Å; K37-E186 PolarHBondContact NZ-OE2 2.91Å; K152-E186 HydrophobicContact CG-CB 4Å; K152-E186 PolarHBondContact O-N 2.98Å; K152-E186 VanDerWaalsContact O-N 3.14Å; P184-E186 PolarHBondContact O-N 3.5Å |
| 187 | V | 83.1 | Confident | 84 | Confident | 45 Ų | 45 | 67 Ų | 67 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -138.6 | 140.7 | 169.1 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | D125 K152 S153 P185 | D125-V187 HydrophobicContact CB-CG2 3.97Å; K152-V187 HydrophobicContact CB-CG2 4.07Å; K152-V187 HydrophobicContact CD-CB 4.48Å; K152-V187 HydrophobicContact CD-CG1 4.03Å; K152-V187 HydrophobicContact CD-CG2 3.65Å; K152-V187 HydrophobicContact CG-CG2 3.73Å; S153-V187 VanDerWaalsContact CA-O 3.22Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.49Å; P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 WeakPolarHBondContact CB-O 3.37Å |
| 188 | V | 86.4 | Confident | 83.9 | Confident | 123 Ų | 123 | 66.7 Ų | 66.7 | 75% | 0.745 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 127.1 | 172.1 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | D190 | V188-D190 PolarHBondContact O-N 3.28Š|
| 189 | M | 88.3 | Confident | 84.4 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -65 | 126.4 | 169.6 | -175.2 | 65.5 | 180 | 0 | 0 | 108.4 | V124 D125 Y155 P191 L193 A194 Y197 | V124-M189 HydrophobicContact CB-CE 4.24Å; V124-M189 HydrophobicContact CG2-CE 3.79Å; V124-M189 HydrophobicContact CG2-SD 4.17Å; D125-M189 HydrophobicContact CB-SD 4.33Å; Y155-M189 HydrophobicContact CD2-CG 4.09Å; Y155-M189 HydrophobicContact CG-CG 4.12Å; M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.26Å; M189-L193 HydrophobicContact CE-CB 4.37Å; M189-L193 HydrophobicContact CE-CD2 4.08Å; M189-L193 HydrophobicContact CE-CG 4.08Å; M189-A194 HydrophobicContact CE-CB 4.29Å; M189-A194 HydrophobicContact CG-CB 4.05Å; M189-Y197 HydrophobicContact CE-CD2 3.78Å; M189-Y197 HydrophobicContact CE-CE2 3.81Å |
| 190 | D | 91 | Very high | 85.4 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 117.8 | 175.9 | 176.9 | -4.6 | 0 | 0 | 0 | 109.5 | V188 A192 L193 A194 | V188-D190 PolarHBondContact O-N 3.28Å; D190-A192 PolarHBondContact O-N 2.68Å; D190-A192 WeakPolarHBondContact OD1-CB 3.31Å; D190-A192 PolarHBondContact OD1-N 3.16Å; D190-L193 HydrophobicContact CB-CB 3.83Å; D190-L193 WeakPolarHBondContact O-CB 3.1Å; D190-L193 PolarHBondContact O-N 2.97Å; D190-L193 VanDerWaalsContact O-N 3.07Å; D190-A194 PolarHBondContact O-N 2.81Å |
| 191 | P | 91.2 | Very high | 86.5 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.3 | -34.2 | -178.1 | -25.6 | 35.3 | 0 | 0 | 0 | 113.5 | M189 A194 A195 | M189-P191 VanDerWaalsContact O-CD 3.26Å; M189-P191 WeakPolarHBondContact O-CD 3.26Å; P191-A194 PolarHBondContact O-N 3.25Å; P191-A195 WeakPolarHBondContact O-CB 3.39Å; P191-A195 PolarHBondContact O-N 2.84Å |
| 192 | A | 93.1 | Very high | 87.6 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | D190 A195 Q196 | D190-A192 PolarHBondContact O-N 2.68Å; D190-A192 WeakPolarHBondContact OD1-CB 3.31Å; D190-A192 PolarHBondContact OD1-N 3.16Å; A192-A195 PolarHBondContact O-N 2.63Å; A192-Q196 WeakPolarHBondContact O-CB 3.36Å; A192-Q196 PolarHBondContact O-N 3.07Å |
| 193 | L | 91.3 | Very high | 88.6 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.131 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 176.2 | -171.4 | 62.9 | 0 | 0 | 0 | 111.8 | M189 D190 Q196 Y197 | M189-L193 HydrophobicContact CE-CB 4.37Å; M189-L193 HydrophobicContact CE-CD2 4.08Å; M189-L193 HydrophobicContact CE-CG 4.08Å; D190-L193 HydrophobicContact CB-CB 3.83Å; D190-L193 WeakPolarHBondContact O-CB 3.1Å; D190-L193 PolarHBondContact O-N 2.97Å; D190-L193 VanDerWaalsContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 2.6Å; L193-Y197 HydrophobicContact CD1-CD1 4.47Å; L193-Y197 HydrophobicContact CD1-CE1 3.82Å; L193-Y197 HydrophobicContact CD1-CE2 3.93Å; L193-Y197 HydrophobicContact CD2-CE2 3.91Å; L193-Y197 HydrophobicContact CG-CD2 4.13Å; L193-Y197 HydrophobicContact CG-CE1 4.37Å; L193-Y197 HydrophobicContact CG-CE2 3.57Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 2.86Å |
| 194 | A | 92 | Very high | 89.4 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -46.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y155 M189 D190 P191 Y197 E198 | Y155-A194 HydrophobicContact CD2-CB 4.35Å; Y155-A194 HydrophobicContact CE2-CB 3.61Å; M189-A194 HydrophobicContact CE-CB 4.29Å; M189-A194 HydrophobicContact CG-CB 4.05Å; D190-A194 PolarHBondContact O-N 2.81Å; P191-A194 PolarHBondContact O-N 3.25Å; A194-Y197 PolarHBondContact O-N 3.28Å; A194-E198 PolarHBondContact O-N 2.62Å |
| 195 | A | 93.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P191 A192 E198 Q199 | P191-A195 WeakPolarHBondContact O-CB 3.39Å; P191-A195 PolarHBondContact O-N 2.84Å; A192-A195 PolarHBondContact O-N 2.63Å; A195-E198 PolarHBondContact O-N 3.27Å; A195-Q199 WeakPolarHBondContact O-CB 3.27Å; A195-Q199 PolarHBondContact O-N 2.88Å |
| 196 | Q | 93.8 | Very high | 90.1 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.6 | -177.4 | 179.3 | 13.7 | 0 | 0 | 111.8 | A192 L193 E198 Q199 D200 | A192-Q196 WeakPolarHBondContact O-CB 3.36Å; A192-Q196 PolarHBondContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 2.6Å; Q196-E198 PolarHBondContact O-N 2.95Å; Q196-Q199 PolarHBondContact O-N 3.4Å; Q196-D200 WeakPolarHBondContact O-CB 3.09Å; Q196-D200 PolarHBondContact O-N 3.02Å |
| 197 | Y | 92.5 | Very high | 90.4 | Very high | 14 Ų | 14 | 68.9 Ų | 68.9 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 179.2 | -69.2 | -24.6 | 0 | 0 | 0 | 113 | V124 R129 M189 L193 A194 D200 L201 | V124-Y197 HydrophobicContact CB-CD2 4.14Å; V124-Y197 HydrophobicContact CB-CE2 3.95Å; V124-Y197 WeakPolarHBondContact O-CE2 3.45Å; R129-Y197 VanDerWaalsContact NH1-CD1 3.29Å; M189-Y197 HydrophobicContact CE-CD2 3.78Å; M189-Y197 HydrophobicContact CE-CE2 3.81Å; L193-Y197 HydrophobicContact CD1-CD1 4.47Å; L193-Y197 HydrophobicContact CD1-CE1 3.82Å; L193-Y197 HydrophobicContact CD1-CE2 3.93Å; L193-Y197 HydrophobicContact CD2-CE2 3.91Å; L193-Y197 HydrophobicContact CG-CD2 4.13Å; L193-Y197 HydrophobicContact CG-CE1 4.37Å; L193-Y197 HydrophobicContact CG-CE2 3.57Å; L193-Y197 WeakPolarHBondContact O-CD2 3.34Å; L193-Y197 PolarHBondContact O-N 2.86Å; A194-Y197 PolarHBondContact O-N 3.28Å; Y197-D200 PolarHBondContact O-N 3.16Å; Y197-L201 WeakPolarHBondContact O-CG 3.32Å; Y197-L201 PolarHBondContact O-N 2.77Å |
| 198 | E | 92.5 | Very high | 90.4 | Very high | 91 Ų | 91 | 70.7 Ų | 70.7 | 43% | 0.425 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 174.3 | -173.9 | 157.3 | -142 | 0 | 0 | 111.6 | A194 A195 Q196 L201 Q202 | A194-E198 PolarHBondContact O-N 2.62Å; A195-E198 PolarHBondContact O-N 3.27Å; Q196-E198 PolarHBondContact O-N 2.95Å; E198-L201 PolarHBondContact O-N 3.14Å; E198-Q202 WeakPolarHBondContact O-CG 3.16Å; E198-Q202 PolarHBondContact O-N 3.06Å |
| 199 | Q | 94.2 | Very high | 90.2 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.3 | -173.8 | 179.3 | 5.1 | 0 | 0 | 112 | A195 Q196 L201 Q202 I203 | A195-Q199 WeakPolarHBondContact O-CB 3.27Å; A195-Q199 PolarHBondContact O-N 2.88Å; Q196-Q199 PolarHBondContact O-N 3.4Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 3.04Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q199-I203 HydrophobicContact CG-CD1 4.07Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 3.22Å |
| 200 | D | 92.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 177.2 | -78.2 | -9.4 | 0 | 0 | 0 | 111.7 | A133 Q196 Y197 A204 | A133-D200 HydrophobicContact CB-CB 3.84Å; Q196-D200 WeakPolarHBondContact O-CB 3.09Å; Q196-D200 PolarHBondContact O-N 3.02Å; Y197-D200 PolarHBondContact O-N 3.16Å; D200-A204 WeakPolarHBondContact O-CB 3.03Å; D200-A204 PolarHBondContact O-N 2.84Å |
| 201 | L | 91.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 176 | -74.6 | 169.7 | 0 | 0 | 0 | 112.6 | A133 Y146 D148 Y197 E198 Q199 I203 A204 Q205 | A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.1Å; Y146-L201 HydrophobicContact CD1-CD1 4.16Å; Y146-L201 HydrophobicContact CD1-CD2 3.6Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.42Å; Y146-L201 VanDerWaalsContact CE1-CD2 3.42Å; Y146-L201 HydrophobicContact CE1-CG 4.29Å; D148-L201 HydrophobicContact CB-CD1 4.32Å; Y197-L201 WeakPolarHBondContact O-CG 3.32Å; Y197-L201 PolarHBondContact O-N 2.77Å; E198-L201 PolarHBondContact O-N 3.14Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 3.04Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 2.97Å; L201-Q205 VanDerWaalsContact O-CG 3.28Å; L201-Q205 WeakPolarHBondContact O-CG 3.05Å; L201-Q205 PolarHBondContact O-N 2.71Å |
| 202 | Q | 91.6 | Very high | 86.9 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 176 | -70.9 | 173.6 | 7.8 | 0 | 0 | 111.5 | E198 Q199 Q205 T206 | E198-Q202 WeakPolarHBondContact O-CG 3.16Å; E198-Q202 PolarHBondContact O-N 3.06Å; Q199-Q202 PolarHBondContact O-N 3.47Å; Q202-Q205 PolarHBondContact O-N 3.02Å; Q202-T206 PolarHBondContact O-N 3.12Å; Q202-T206 PolarHBondContact O-OG1 2.8Å |
| 203 | I | 92 | Very high | 84.9 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 46% | 0.456 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 174.1 | -65.4 | 167 | 0 | 0 | 0 | 109.6 | Q199 L201 Q205 T206 T207 | Q199-I203 HydrophobicContact CG-CD1 4.07Å; Q199-I203 WeakPolarHBondContact O-CG1 3.35Å; Q199-I203 PolarHBondContact O-N 3.22Å; L201-I203 VanDerWaalsContact C-N 3.33Å; L201-I203 PolarHBondContact O-N 3.25Å; I203-Q205 PolarHBondContact O-N 3.26Å; I203-T206 PolarHBondContact O-N 3.46Å; I203-T206 PolarHBondContact O-OG1 3.29Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.17Å |
| 204 | A | 89.1 | Confident | 83.1 | Confident | 18 Ų | 18 | 84.4 Ų | 84.4 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.9 | -28.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A133 R140 D200 L201 | A133-A204 HydrophobicContact CB-CB 4.14Å; R140-A204 PolarHBondContact NH1-O 2.65Å; D200-A204 WeakPolarHBondContact O-CB 3.03Å; D200-A204 PolarHBondContact O-N 2.84Å; L201-A204 PolarHBondContact O-N 2.97Å |
| 205 | Q | 85.9 | Confident | 81 | Confident | 100 Ų | 100 | 89 Ų | 89 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.2 | -31.7 | 175.2 | -77.7 | 172.2 | -3.9 | 0 | 0 | 112.9 | L201 Q202 I203 | L201-Q205 VanDerWaalsContact O-CG 3.28Å; L201-Q205 WeakPolarHBondContact O-CG 3.05Å; L201-Q205 PolarHBondContact O-N 2.71Å; Q202-Q205 PolarHBondContact O-N 3.02Å; I203-Q205 PolarHBondContact O-N 3.26Å |
| 206 | T | 87.5 | Confident | 78.3 | Confident | 121 Ų | 121 | 97.7 Ų | 97.7 | 74% | 0.742 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -91 | -18.3 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | Q202 I203 | Q202-T206 PolarHBondContact O-N 3.12Å; Q202-T206 PolarHBondContact O-OG1 2.8Å; I203-T206 PolarHBondContact O-N 3.46Å; I203-T206 PolarHBondContact O-OG1 3.29Å |
| 207 | T | 85.8 | Confident | 77.5 | Confident | 78 Ų | 78 | 97.6 Ų | 97.6 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -67.2 | 141.6 | 172.9 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | R140 I203 | R140-T207 VanDerWaalsContact CZ-O 3.25Å; R140-T207 PolarHBondContact NH1-O 3.38Å; R140-T207 PolarHBondContact NH2-O 3.43Å; I203-T207 PolarHBondContact O-N 2.95Å; I203-T207 PolarHBondContact O-OG1 3.17Å |
| 208 | A | 83.9 | Confident | 76.7 | Confident | 83 Ų | 83 | 102 Ų | 102 | 69% | 0.686 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 146.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 209 | L | 80.8 | Confident | 75.8 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 142.9 | 171.3 | -72.2 | 172.5 | 0 | 0 | 0 | 108.8 | V137 R140 K141 | V137-L209 HydrophobicContact CB-CD2 3.82Å; V137-L209 HydrophobicContact CG1-CD2 3.91Å; R140-L209 HydrophobicContact CB-CD1 4.09Å; R140-L209 HydrophobicContact CB-CD2 4.04Å; K141-L209 HydrophobicContact CG-CD1 4.44Å |
| 210 | P | 75 | Confident | 74.7 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 144.2 | 165.2 | -18 | 30 | 0 | 0 | 0 | 109.5 | ||
| 211 | D | 68.3 | Low | 73.6 | Confident | 134 Ų | 134 | 104.6 Ų | 104.6 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -57 | 146.2 | 175.1 | -65.9 | -40.9 | 0 | 0 | 0 | 109.9 | D213 D214 | D211-D213 PolarHBondContact O-N 2.8Å; D211-D214 PolarHBondContact O-N 2.79Å |
| 212 | E | 59.2 | Low | 72.4 | Confident | 157 Ų | 157 | 109.9 Ų | 109.9 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -60.6 | -16.1 | -171 | -72.2 | -168 | 146.2 | 0 | 0 | 114.2 | D214 | E212-D214 VanDerWaalsContact C-N 3.26Å; E212-D214 PolarHBondContact O-N 3.04Å |
| 213 | D | 51.2 | Low | 71.1 | Confident | 149 Ų | 149 | 109.9 Ų | 109.9 | 80% | 0.797 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -72.6 | -11 | -176 | -65 | -30.8 | 0 | 0 | 0 | 114.4 | D211 | D211-D213 PolarHBondContact O-N 2.8Š|
| 214 | D | 52.8 | Low | 69.5 | Low | 135 Ų | 135 | 111.5 Ų | 111.5 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -85.6 | -0.9 | -179.6 | -86.9 | -20.2 | 0 | 0 | 0 | 114.7 | D211 E212 | D211-D214 PolarHBondContact O-N 2.79Å; E212-D214 VanDerWaalsContact C-N 3.26Å; E212-D214 PolarHBondContact O-N 3.04Å |
| 215 | D | 48.3 | Very low | 67.8 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 58% | 0.578 | 66% | 0.661 | S | S | * | * | trans | -107.3 | 24.4 | -171.3 | -82.1 | -28.4 | 0 | 0 | 0 | 115.5 | K141 | K141-D215 IonicContact NZ-OD2 2.86Å; K141-D215 PolarHBondContact NZ-OD2 3.21Å | ||
| 216 | L | 35.5 | Very low | 66.2 | Low | 239 Ų | 239 | 121.1 Ų | 121.1 | 100% | 1.251 | 68% | 0.678 | S | S | * | * | trans | -93.1 | 0 | 166.6 | -78.3 | 170.6 | 0 | 0 | 0 | 113 |
Retrieved 216 of 216 residues in 48.8 ms
(Link to these results)