| 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 | 37.1 | Very low | 62.6 | Low | 241 Ų | 241 | 113.9 Ų | 113.9 | 100% | 1.187 | 64% | 0.643 | S | S | * | * | 0 | 115.1 | 0 | -71.3 | 178 | 171.6 | 0 | 0 | 106.6 | A3 | M1-A3 PolarHBondContact O-N 2.91Å; M1-A3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 35 | Very low | 65.6 | Low | 101 Ų | 101 | 107.1 Ų | 107.1 | 84% | 0.835 | 60% | 0.601 | S | S | * | * | trans | -58.9 | 120.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q4 | A2-Q4 PolarHBondContact O-N 3.21Š| ||
| 3 | A | 41.2 | Very low | 68.1 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | trans | -55.2 | 114.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106 | M1 G5 | M1-A3 PolarHBondContact O-N 2.91Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-G5 PolarHBondContact O-N 2.83Å | ||
| 4 | Q | 43.5 | Very low | 70.2 | Confident | 192 Ų | 192 | 91.9 Ų | 91.9 | 90% | 0.897 | 52% | 0.516 | S | S | * | . | trans | -62.6 | 90.8 | 165.2 | -69.7 | 178.3 | -2.4 | 0 | 0 | 105.1 | A2 E6 | A2-Q4 PolarHBondContact O-N 3.21Å; Q4-E6 PolarHBondContact O-N 3.27Å | ||
| 5 | G | 51 | Low | 72.1 | Confident | 63 Ų | 63 | 85.8 Ų | 85.8 | 65% | 0.649 | 48% | 0.482 | S | S | * | . | trans | -54 | 128.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108 | A3 | A3-G5 PolarHBondContact O-N 2.83Š| ||
| 6 | E | 56.7 | Low | 73.6 | Confident | 163 Ų | 163 | 80.4 Ų | 80.4 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | trans | -51.4 | 137.4 | 176.3 | -75.4 | -173.6 | 128.5 | 0 | 0 | 109.2 | Q4 Q8 | Q4-E6 PolarHBondContact O-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.28Å | ||
| 7 | P | 61 | Low | 75 | Confident | 21 Ų | 21 | 75.7 Ų | 75.7 | 14% | 0.136 | 43% | 0.425 | C | S | . | . | trans | -56.9 | 115.1 | 173.8 | 19.9 | -28.5 | 0 | 0 | 0 | 108.4 | V9 P58 K60 | P7-V9 PolarHBondContact O-N 3.46Å; P7-P58 HydrophobicContact CB-CB 4.12Å; P7-P58 HydrophobicContact CB-CG 4.08Å; P7-K60 HydrophobicContact CB-CB 4.27Å; P7-K60 HydrophobicContact CG-CB 3.75Å; P7-K60 HydrophobicContact CG-CD 4.15Å; P7-K60 VanDerWaalsContact CG-CE 3.42Å; P7-K60 HydrophobicContact CG-CG 4.48Å | ||
| 8 | Q | 75.1 | Confident | 76.2 | Confident | 197 Ų | 197 | 72.8 Ų | 72.8 | 92% | 0.921 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -60.6 | -26.7 | -178.2 | -89.5 | -177.3 | -9.6 | 0 | 0 | 112.1 | E6 | E6-Q8 PolarHBondContact O-N 3.28Š|
| 9 | V | 93.9 | Very high | 77.2 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.1 | -179.4 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | P7 F11 I59 K60 I169 | P7-V9 PolarHBondContact O-N 3.46Å; V9-F11 HydrophobicContact CG1-CD2 4.29Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.53Å; V9-I59 HydrophobicContact CG1-CG1 4.45Å; V9-K60 PolarHBondContact O-N 3Å; V9-I169 HydrophobicContact CG1-CD1 3.86Å |
| 10 | Q | 96.5 | Very high | 78 | Confident | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144.2 | 176.3 | 63.3 | 179.9 | 5.2 | 0 | 0 | 112 | K60 | Q10-K60 CarbonylContact C-O 3.5Å; Q10-K60 WeakPolarHBondContact CA-O 3.45Å; Q10-K60 HydrophobicContact CB-CB 4.08Å |
| 11 | F | 98 | Very high | 78.9 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.9 | -180 | -60 | -71.9 | 0 | 0 | 0 | 111.2 | V9 L13 I59 K60 F61 N62 Q84 L168 I169 | V9-F11 HydrophobicContact CG1-CD2 4.29Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.53Å; F11-L13 PolarHBondContact O-N 2.75Å; F11-I59 HydrophobicContact CD2-CG2 3.84Å; F11-I59 HydrophobicContact CE2-CG2 3.88Å; F11-K60 PolarHBondContact N-O 3.19Å; F11-F61 HydrophobicContact CB-CD1 3.84Å; F11-F61 HydrophobicContact CB-CE1 3.93Å; F11-F61 HydrophobicContact CD2-CE1 4.03Å; F11-F61 HydrophobicContact CD2-CZ 4.4Å; F11-F61 HydrophobicContact CG-CE1 4.33Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; F11-N62 PolarHBondContact O-N 3.01Å; F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CB-CD1 4.1Å; F11-L168 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CD1-CD1 3.9Å; F11-L168 HydrophobicContact CD1-CD2 4.18Å; F11-L168 HydrophobicContact CD1-CG 4.35Å; F11-L168 HydrophobicContact CD2-CB 4.48Å; F11-L168 HydrophobicContact CD2-CD1 3.85Å; F11-L168 HydrophobicContact CE1-CB 3.83Å; F11-L168 HydrophobicContact CE1-CD1 4.29Å; F11-L168 HydrophobicContact CE1-CD2 4.29Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 4.02Å; F11-L168 HydrophobicContact CE2-CD1 4.22Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.69Å; F11-L168 HydrophobicContact CZ-CD1 4.45Å; F11-I169 HydrophobicContact CE2-CD1 3.98Å; F11-I169 HydrophobicContact CZ-CD1 3.8Å |
| 12 | K | 98 | Very high | 81.7 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 116 | 165.1 | 179.4 | 170.6 | 172.5 | 174.8 | 0 | 109.1 | W64 Y79 I81 A83 Q84 C85 | K12-W64 HydrophobicContact CD-CZ2 4.28Å; K12-Y79 VanDerWaalsContact CE-O 3.27Å; K12-Y79 WeakPolarHBondContact CE-O 3.38Å; K12-Y79 PolarHBondContact NZ-O 2.79Å; K12-I81 PolarHBondContact NZ-O 3.05Å; K12-A83 HydrophobicContact CG-CB 4.46Å; K12-Q84 PolarHBondContact O-N 2.96Å; K12-C85 PolarHBondContact O-N 2.85Å |
| 13 | L | 98.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.8 | 174.6 | -174.2 | 155 | 0 | 0 | 0 | 108.9 | F11 L15 F61 N62 V63 W64 C85 I87 F161 L164 | F11-L13 PolarHBondContact O-N 2.75Å; L13-L15 HydrophobicContact CD2-CB 4.24Å; L13-F61 HydrophobicContact CB-CB 4.45Å; L13-F61 HydrophobicContact CB-CD1 4.04Å; L13-F61 HydrophobicContact CD1-CD1 3.82Å; L13-F61 HydrophobicContact CD1-CE1 4.27Å; L13-F61 HydrophobicContact CD1-CG 4.24Å; L13-N62 PolarHBondContact N-O 3.3Å; L13-V63 HydrophobicContact CB-CG2 4.42Å; L13-V63 HydrophobicContact CD2-CB 4.47Å; L13-V63 HydrophobicContact CD2-CG1 3.89Å; L13-V63 HydrophobicContact CD2-CG2 4.23Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L13-W64 PolarHBondContact O-N 3.39Å; L13-C85 WeakPolarHBondContact CA-O 3.26Å; L13-I87 HydrophobicContact CD1-CD1 3.99Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.17Å; L13-I87 HydrophobicContact CD2-CG1 4.17Å; L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.89Å; L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.44Å |
| 14 | V | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.2 | 172.5 | -67.1 | 0 | 0 | 0 | 0 | 110.6 | W64 Y80 A83 C85 A86 I87 L108 | V14-W64 HydrophobicContact CG1-CB 4.11Å; V14-W64 HydrophobicContact CG1-CG 4.47Å; V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.36Å; V14-A83 HydrophobicContact CB-CB 4.45Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 3.83Å; V14-C85 PolarHBondContact N-O 3.24Å; V14-C85 VanDerWaalsContact N-O 3.09Å; V14-A86 HydrophobicContact CG2-CB 3.57Å; V14-A86 CarbonylContact O-C 3.58Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.32Å; V14-I87 PolarHBondContact O-N 2.84Å; V14-L108 HydrophobicContact CG2-CD2 3.49Å; V14-L108 VanDerWaalsContact CG2-CD2 3.49Å |
| 15 | L | 97.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.9 | 179.3 | 176.6 | 61.2 | 0 | 0 | 0 | 108.9 | L13 K23 V27 V63 W64 T66 I87 M89 | L13-L15 HydrophobicContact CD2-CB 4.24Å; L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.14Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4.01Å; L15-K23 HydrophobicContact CG-CG 3.91Å; L15-V27 HydrophobicContact CD2-CG2 3.39Å; L15-V63 HydrophobicContact CB-CG1 4.09Å; L15-V63 HydrophobicContact CD2-CG1 4.34Å; L15-W64 PolarHBondContact N-O 3.38Å; L15-T66 PolarHBondContact O-N 3.2Å; L15-T66 PolarHBondContact O-OG1 2.86Å; L15-I87 WeakPolarHBondContact CA-O 3.49Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.58Å; L15-M89 HydrophobicContact CD1-CB 4.45Å; L15-M89 HydrophobicContact CD1-CE 4.34Å |
| 16 | V | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 167.3 | -172.4 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | K23 T66 Y80 I87 I88 M89 W104 L108 | V16-K23 VanDerWaalsContact C-CD 3.46Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; V16-T66 HydrophobicContact CG1-CG2 4.47Å; V16-Y80 HydrophobicContact CG1-CD1 4.47Å; V16-Y80 HydrophobicContact CG1-CE1 3.63Å; V16-I87 PolarHBondContact N-O 3.5Å; V16-I88 HydrophobicContact CG2-CB 4.24Å; V16-I88 HydrophobicContact CG2-CG1 3.73Å; V16-I88 HydrophobicContact CG2-CG2 4.33Å; V16-M89 PolarHBondContact O-N 3.48Å; V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.83Å; V16-W104 HydrophobicContact CB-CZ3 4.29Å; V16-W104 HydrophobicContact CG2-CB 4.21Å; V16-W104 HydrophobicContact CG2-CE3 4.33Å; V16-L108 HydrophobicContact CG1-CD2 4.48Å; V16-L108 HydrophobicContact CG2-CD1 3.62Å; V16-L108 HydrophobicContact CG2-CG 4.31Å |
| 17 | G | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 133.6 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K23 G68 M89 W104 | G17-K23 WeakPolarHBondContact O-CE 3.37Å; G17-K23 PolarHBondContact O-NZ 3.37Å; G17-G68 WeakPolarHBondContact O-CA 3.41Å; G17-M89 WeakPolarHBondContact CA-O 3.43Å; G17-W104 VanDerWaalsContact C-CE2 3.43Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 18 | D | 96.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.123 | 17% | 0.166 | C | C | . | . | trans | -57.1 | 159.4 | -174.5 | -78.2 | 20.8 | 0 | 0 | 0 | 113.9 | T21 K23 G68 T97 N100 W104 | D18-T21 HydrophobicContact CB-CG2 3.79Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.22Å; D18-K23 PolarHBondContact O-NZ 3.39Å; D18-G68 CarbonylContact C-O 3.57Å; D18-T97 HydrophobicContact CB-CG2 3.83Å; D18-T97 WeakPolarHBondContact OD2-CA 3.35Å; D18-N100 WeakPolarHBondContact OD1-CB 3.16Å; D18-N100 PolarHBondContact OD2-ND2 3.14Å; D18-W104 PolarHBondContact OD1-NE1 3Å | ||
| 19 | G | 94.8 | Very high | 96 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 26% | 0.258 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 137.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T21 G68 | G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.18Å; G19-G68 VanDerWaalsContact N-C 3.33Å; G19-G68 PolarHBondContact N-O 2.85Å |
| 20 | G | 94.4 | Very high | 96 | Very high | 24 Ų | 24 | 19.3 Ų | 19.3 | 25% | 0.247 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G22 Y39 K123 | G20-G22 PolarHBondContact O-N 2.94Å; G20-Y39 PolarHBondContact N-OH 2.93Å; G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 3.04Å |
| 21 | T | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -69.6 | -18.1 | 176.5 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | D18 G19 D91 T97 N122 | D18-T21 HydrophobicContact CB-CG2 3.79Å; D18-T21 WeakPolarHBondContact O-CG2 3.44Å; D18-T21 PolarHBondContact O-OG1 3.22Å; G19-T21 VanDerWaalsContact C-N 3.3Å; G19-T21 PolarHBondContact O-N 3.18Å; T21-D91 HydrophobicContact CG2-CB 4.34Å; T21-T97 HydrophobicContact CG2-CG2 3.93Å; T21-N122 PolarHBondContact O-ND2 2.82Å |
| 22 | G | 96.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 12% | 0.124 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 107.1 | 15.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G20 T25 F26 | G20-G22 PolarHBondContact O-N 2.94Å; G22-T25 PolarHBondContact O-N 2.96Å; G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.16Å; G22-F26 PolarHBondContact O-N 3.43Å |
| 23 | K | 96.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -51.1 | -57.6 | 178.5 | -62.5 | -174.6 | -54.1 | -73.1 | 0 | 113.1 | L15 V16 G17 D18 T25 F26 V27 D65 T66 M89 | L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 HydrophobicContact CD1-CD 4.43Å; L15-K23 HydrophobicContact CD1-CG 4.14Å; L15-K23 HydrophobicContact CD2-CB 3.65Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.86Å; L15-K23 HydrophobicContact CG-CD 4.01Å; L15-K23 HydrophobicContact CG-CG 3.91Å; V16-K23 VanDerWaalsContact C-CD 3.46Å; V16-K23 WeakPolarHBondContact O-CD 3.44Å; G17-K23 WeakPolarHBondContact O-CE 3.37Å; G17-K23 PolarHBondContact O-NZ 3.37Å; D18-K23 PolarHBondContact O-NZ 3.39Å; K23-T25 PolarHBondContact O-N 3.01Å; K23-F26 WeakPolarHBondContact O-CB 3.3Å; K23-F26 PolarHBondContact O-N 3.03Å; K23-F26 VanDerWaalsContact O-N 3.16Å; K23-V27 PolarHBondContact O-N 2.65Å; K23-D65 VanDerWaalsContact CB-OD1 3.29Å; K23-D65 WeakPolarHBondContact CB-OD1 3.29Å; K23-T66 WeakPolarHBondContact CE-O 3.17Å; K23-M89 HydrophobicContact CG-CB 4.1Å; K23-M89 HydrophobicContact CG-SD 4.21Å |
| 24 | T | 95.2 | Very high | 94.1 | Very high | 33 Ų | 33 | 25.4 Ų | 25.4 | 20% | 0.202 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.6 | -46.8 | 0 | 0 | 0 | 0 | 112.1 | F26 V27 K28 T42 D65 | T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.19Å; T24-V27 PolarHBondContact O-N 3.06Å; T24-K28 HydrophobicContact CG2-CG 4.18Å; T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 VanDerWaalsContact O-CG 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 2.88Å; T24-T42 PolarHBondContact OG1-OG1 3.37Å; T24-D65 VanDerWaalsContact CA-OD2 3.23Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.28Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.4Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å |
| 25 | T | 95.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 27.7 Ų | 27.7 | 17% | 0.166 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 175.9 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | G22 K23 R29 F35 E36 A151 | G22-T25 PolarHBondContact O-N 2.96Å; K23-T25 PolarHBondContact O-N 3.01Å; T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.97Å; T25-F35 HydrophobicContact CG2-CD2 3.58Å; T25-F35 HydrophobicContact CG2-CE2 3.48Å; T25-F35 VanDerWaalsContact CG2-CE2 3.48Å; T25-F35 HydrophobicContact CG2-CG 4.46Å; T25-F35 HydrophobicContact CG2-CZ 4.27Å; T25-E36 HydrophobicContact CG2-CB 4.41Å; T25-A151 HydrophobicContact CG2-CB 4.37Å |
| 26 | F | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.3 | 176.3 | -99.6 | 0 | 0 | 0 | 111.9 | G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161 | G22-F26 VanDerWaalsContact O-CB 3.31Å; G22-F26 WeakPolarHBondContact O-CB 3.16Å; G22-F26 PolarHBondContact O-N 3.43Å; K23-F26 WeakPolarHBondContact O-CB 3.3Å; K23-F26 PolarHBondContact O-N 3.03Å; K23-F26 VanDerWaalsContact O-N 3.16Å; T24-F26 VanDerWaalsContact C-N 3.32Å; T24-F26 PolarHBondContact O-N 3.19Å; F26-H30 AromaticContact CE2-CE1 3.5Å; F26-H30 AromaticContact CZ-CE1 3.5Å; F26-H30 VanDerWaalsContact CZ-CE1 3.5Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.37Å; F26-H30 PolarHBondContact O-N 3.08Å; F26-H30 PolarHBondContact O-ND1 3.36Å; F26-I87 HydrophobicContact CE1-CD1 4.32Å; F26-M89 HydrophobicContact CB-CE 3.8Å; F26-M89 HydrophobicContact CD1-CE 3.96Å; F26-M89 HydrophobicContact CD2-CE 4.14Å; F26-M89 HydrophobicContact CG-CE 3.71Å; F26-I149 HydrophobicContact CD2-CD1 3.81Å; F26-I149 HydrophobicContact CE2-CD1 3.74Å; F26-A151 HydrophobicContact CB-CB 4.42Å; F26-F157 AromaticContact CD2-CD2 3.78Å; F26-F157 HydrophobicContact CD2-CD2 3.78Å; F26-F157 AromaticContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.71Å; F26-F157 HydrophobicContact CE2-CD2 3.71Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.47Å; F26-F157 WeakPolarHBondContact CE2-O 3.34Å; F26-F157 HydrophobicContact CG-CE2 4.26Å; F26-F157 WeakPolarHBondContact O-CZ 3.43Å; F26-P160 HydrophobicContact CZ-CG 4.43Å; F26-F161 HydrophobicContact CE1-CD2 4.47Å; F26-F161 AromaticContact CE1-CE2 3.38Å; F26-F161 HydrophobicContact CE1-CE2 3.38Å; F26-F161 AromaticContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CZ-CD2 4.17Å; F26-F161 AromaticContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CZ 4.09Å |
| 27 | V | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70 | -51.1 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | L15 K23 T24 R29 H30 L31 H48 V63 D65 | L15-V27 HydrophobicContact CD2-CG2 3.39Å; K23-V27 PolarHBondContact O-N 2.65Å; T24-V27 PolarHBondContact O-N 3.06Å; V27-R29 PolarHBondContact O-N 3.06Å; V27-H30 PolarHBondContact O-N 3.07Å; V27-H30 VanDerWaalsContact O-N 3.07Å; V27-L31 PolarHBondContact O-N 2.95Å; V27-H48 HydrophobicContact CG1-CB 3.48Å; V27-H48 VanDerWaalsContact CG1-CB 3.48Å; V27-V63 HydrophobicContact CG2-CG1 3.68Å; V27-D65 HydrophobicContact CG2-CB 4.47Å |
| 28 | K | 92.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 47 Ų | 47 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.4 | -41.3 | 179 | -74 | -71.3 | -177.3 | -179.9 | 0 | 111.2 | T24 H30 L31 T32 | T24-K28 HydrophobicContact CG2-CG 4.18Å; T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 VanDerWaalsContact O-CG 3.3Å; T24-K28 WeakPolarHBondContact O-CG 3.36Å; T24-K28 PolarHBondContact O-N 2.88Å; K28-H30 PolarHBondContact O-N 2.9Å; K28-L31 PolarHBondContact O-N 3.25Å; K28-T32 PolarHBondContact O-N 3.05Å; K28-T32 PolarHBondContact O-OG1 2.67Å; K28-T32 VanDerWaalsContact O-OG1 3.09Å |
| 29 | R | 92.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.3 | -32 | 179.1 | -173.2 | 165.6 | -161.5 | 160 | 5.4 | 113.3 | T25 V27 L31 G33 E34 A151 K152 N154 F157 L182 P184 | T25-R29 WeakPolarHBondContact O-CB 3.29Å; T25-R29 PolarHBondContact O-N 2.97Å; V27-R29 PolarHBondContact O-N 3.06Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.34Å; R29-E34 WeakPolarHBondContact CA-O 3.36Å; R29-E34 WeakPolarHBondContact CB-O 3.46Å; R29-A151 WeakPolarHBondContact CD-O 3.44Å; R29-A151 PolarHBondContact NH1-O 2.76Å; R29-K152 VanDerWaalsContact NH1-C 3.3Å; R29-K152 PolarHBondContact NH1-O 2.99Å; R29-N154 VanDerWaalsContact CZ-OD1 3.24Å; R29-N154 PolarHBondContact NE-OD1 3.37Å; R29-F157 HydrophobicContact CB-CE1 4.38Å; R29-F157 HydrophobicContact CB-CE2 4.48Å; R29-F157 HydrophobicContact CB-CZ 3.66Å; R29-F157 HydrophobicContact CG-CE1 4.06Å; R29-F157 HydrophobicContact CG-CZ 3.69Å; R29-L182 WeakPolarHBondContact O-CD2 3.1Å; R29-P184 PolarHBondContact NH2-O 3.43Å |
| 30 | H | 93.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.9 | -31.1 | 168.1 | -79 | 88.2 | 0 | 0 | 0 | 112.9 | F26 V27 K28 L50 F52 F157 F161 | F26-H30 AromaticContact CE2-CE1 3.5Å; F26-H30 AromaticContact CZ-CE1 3.5Å; F26-H30 VanDerWaalsContact CZ-CE1 3.5Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.37Å; F26-H30 PolarHBondContact O-N 3.08Å; F26-H30 PolarHBondContact O-ND1 3.36Å; V27-H30 PolarHBondContact O-N 3.07Å; V27-H30 VanDerWaalsContact O-N 3.07Å; K28-H30 PolarHBondContact O-N 2.9Å; H30-L50 HydrophobicContact CB-CD1 3.69Å; H30-L50 HydrophobicContact CB-CD2 3.84Å; H30-L50 HydrophobicContact CB-CG 4.43Å; H30-F52 AromaticContact CD2-CZ 3.83Å; H30-F157 HydrophobicContact CB-CE1 4.42Å; H30-F157 AromaticContact CD2-CD1 3.97Å; H30-F157 AromaticContact CD2-CE1 3.67Å; H30-F157 AromaticContact CE1-CD1 3.2Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.48Å; H30-F157 AromaticContact CE1-CD2 3.75Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.3Å; H30-F157 AromaticContact CE1-CE2 3.54Å; H30-F157 AromaticContact CE1-CG 3.57Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.33Å; H30-F157 PolarHBondContact CE1-O 3.5Å; H30-F157 AromaticContact CG-CE1 3.53Å; H30-F157 AromaticContact CG-CZ 3.86Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.13Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.33Å; H30-F157 AromaticContact ND1-CE2 3.78Å; H30-F157 AromaticContact ND1-CZ 3.05Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F157 AromaticContact NE2-CD1 3.3Å; H30-F157 VanDerWaalsContact NE2-CD1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.48Å; H30-F157 AromaticContact NE2-CE1 3.38Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.91Å; H30-F157 AromaticContact NE2-CZ 4Å; H30-F157 PolarHBondContact NE2-O 3.37Å; H30-F161 AromaticContact CD2-CE2 3.89Å; H30-F161 AromaticContact CE1-CE2 3.45Å; H30-F161 VanDerWaalsContact CE1-CE2 3.45Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.34Å; H30-F161 AromaticContact ND1-CE2 3.8Å; H30-F161 AromaticContact NE2-CD2 3.7Å; H30-F161 AromaticContact NE2-CE2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.42Å |
| 31 | L | 90.8 | Very high | 90.8 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 40% | 0.403 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -81.2 | -44.9 | -175.2 | -169.3 | 68.6 | 0 | 0 | 0 | 112.9 | V27 K28 R29 L50 | V27-L31 PolarHBondContact O-N 2.95Å; K28-L31 PolarHBondContact O-N 3.25Å; R29-L31 VanDerWaalsContact C-N 3.32Å; L31-L50 HydrophobicContact CB-CD2 4Å; L31-L50 HydrophobicContact CD1-CD2 3.88Å |
| 32 | T | 88.9 | Confident | 90.2 | Very high | 75 Ų | 75 | 56.8 Ų | 56.8 | 46% | 0.46 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -117.8 | -9 | -172.6 | 65.6 | 0 | 0 | 0 | 0 | 113.1 | K28 E34 | K28-T32 PolarHBondContact O-N 3.05Å; K28-T32 PolarHBondContact O-OG1 2.67Å; K28-T32 VanDerWaalsContact O-OG1 3.09Å; T32-E34 PolarHBondContact O-N 3.18Å; T32-E34 PolarHBondContact OG1-N 3.42Å |
| 33 | G | 87.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 76.6 | -13.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R29 A183 | R29-G33 WeakPolarHBondContact O-CA 3.46Å; R29-G33 PolarHBondContact O-N 3.34Å; G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.25Å |
| 34 | E | 85.1 | Confident | 89.5 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | trans | -81.5 | 146.4 | -174.1 | -62.8 | -175 | 159.9 | 0 | 0 | 112.8 | R29 T32 | R29-E34 WeakPolarHBondContact CA-O 3.36Å; R29-E34 WeakPolarHBondContact CB-O 3.46Å; T32-E34 PolarHBondContact O-N 3.18Å; T32-E34 PolarHBondContact OG1-N 3.42Å | ||
| 35 | F | 85.2 | Confident | 89.4 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 21% | 0.211 | 31% | 0.309 | C | S | . | . | trans | -97 | 113.5 | 173.3 | -175 | -103.6 | 0 | 0 | 0 | 111 | T25 K37 A151 K152 E186 | T25-F35 HydrophobicContact CG2-CD2 3.58Å; T25-F35 HydrophobicContact CG2-CE2 3.48Å; T25-F35 VanDerWaalsContact CG2-CE2 3.48Å; T25-F35 HydrophobicContact CG2-CG 4.46Å; T25-F35 HydrophobicContact CG2-CZ 4.27Å; F35-K37 HydrophobicContact CD1-CG 3.92Å; F35-K37 HydrophobicContact CE1-CG 4.13Å; F35-K37 PolarHBondContact O-N 2.9Å; F35-A151 VanDerWaalsContact CD2-O 3.29Å; F35-A151 WeakPolarHBondContact CD2-O 3.48Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.49Å; F35-K152 HydrophobicContact CE1-CD 4.3Å; F35-K152 HydrophobicContact CE1-CG 4.17Å; F35-K152 HydrophobicContact CE2-CB 3.74Å; F35-K152 HydrophobicContact CE2-CG 4.06Å; F35-K152 HydrophobicContact CZ-CB 3.92Å; F35-K152 HydrophobicContact CZ-CD 4.13Å; F35-K152 HydrophobicContact CZ-CG 3.89Å; F35-E186 HydrophobicContact CB-CG 3.91Å; F35-E186 VanDerWaalsContact CD1-CD 3.5Å; F35-E186 HydrophobicContact CD1-CG 4.16Å; F35-E186 VanDerWaalsContact CD1-OE2 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.47Å; F35-E186 HydrophobicContact CG-CG 4.18Å | ||
| 36 | E | 84.9 | Confident | 89.3 | Confident | 96 Ų | 96 | 64.8 Ų | 64.8 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -75.2 | 115.8 | 174.6 | -177.6 | 55.8 | -102 | 0 | 0 | 110.8 | T25 K38 | T25-E36 HydrophobicContact CG2-CB 4.41Å; E36-K38 WeakPolarHBondContact CG-O 3.23Å; E36-K38 PolarHBondContact OE1-N 3.46Å | ||
| 37 | K | 85.5 | Confident | 89.3 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 65% | 0.648 | 34% | 0.34 | S | S | * | . | trans | -85.1 | -28.4 | 179.9 | -67.7 | 179.7 | -177.4 | 171.8 | 0 | 112.4 | F35 E186 | F35-K37 HydrophobicContact CD1-CG 3.92Å; F35-K37 HydrophobicContact CE1-CG 4.13Å; F35-K37 PolarHBondContact O-N 2.9Å; K37-E186 WeakPolarHBondContact CE-OE1 3.33Å; K37-E186 WeakPolarHBondContact CE-OE2 3.39Å; K37-E186 IonicContact NZ-OE1 3.11Å; K37-E186 PolarHBondContact NZ-OE1 3.21Å; K37-E186 VanDerWaalsContact NZ-OE1 3.11Å; K37-E186 IonicContact NZ-OE2 3.78Å | ||
| 38 | K | 87.3 | Confident | 89.3 | Confident | 160 Ų | 160 | 68.9 Ų | 68.9 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -90.7 | 127.6 | -177 | -68.1 | -178.3 | -179.4 | 176.8 | 0 | 109.7 | E36 V40 | E36-K38 WeakPolarHBondContact CG-O 3.23Å; E36-K38 PolarHBondContact OE1-N 3.46Å; K38-V40 PolarHBondContact O-N 3.45Å |
| 39 | Y | 87.2 | Confident | 89.5 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 51% | 0.51 | 35% | 0.349 | S | S | . | . | trans | -77.5 | 108.6 | 170.4 | 178.7 | -120.3 | 0 | 0 | 0 | 110.1 | G20 A41 Q69 | G20-Y39 PolarHBondContact N-OH 2.93Å; Y39-A41 HydrophobicContact CE1-CB 4.43Å; Y39-Q69 PolarHBondContact OH-NE2 2.85Å | ||
| 40 | V | 87.5 | Confident | 89.6 | Confident | 111 Ų | 111 | 68.9 Ų | 68.9 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | trans | -109.7 | 124.8 | 166.1 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | K38 T42 | K38-V40 PolarHBondContact O-N 3.45Å; V40-T42 PolarHBondContact O-N 3.35Å | ||
| 41 | A | 87.4 | Confident | 89.6 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | trans | -72.7 | 127 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y39 F72 | Y39-A41 HydrophobicContact CE1-CB 4.43Å; A41-F72 HydrophobicContact CB-CD2 3.79Å; A41-F72 HydrophobicContact CB-CE2 3.72Å | ||
| 42 | T | 85.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | trans | -59.5 | 137.1 | 172.1 | -38.4 | 0 | 0 | 0 | 0 | 110.3 | T24 V40 E46 A67 | T24-T42 PolarHBondContact OG1-OG1 3.37Å; V40-T42 PolarHBondContact O-N 3.35Å; T42-E46 HydrophobicContact CG2-CG 4.13Å; T42-A67 WeakPolarHBondContact O-CB 3.41Å | ||
| 43 | L | 87.7 | Confident | 90 | Very high | 125 Ų | 125 | 69.3 Ų | 69.3 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | trans | -102 | 110.2 | 176.4 | -61.5 | 178 | 0 | 0 | 0 | 109.2 | V45 F72 | L43-V45 PolarHBondContact O-N 2.99Å; L43-F72 HydrophobicContact CD2-CB 4.2Å; L43-F72 HydrophobicContact CD2-CD1 3.55Å; L43-F72 HydrophobicContact CD2-CD2 4.47Å; L43-F72 HydrophobicContact CD2-CE1 3.97Å; L43-F72 HydrophobicContact CD2-CG 3.85Å | ||
| 44 | G | 89.6 | Confident | 90.3 | Very high | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 68.6 | -98.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A67 F72 | G44-A67 WeakPolarHBondContact O-CB 3.27Å; G44-A67 PolarHBondContact O-N 2.97Å; G44-F72 WeakPolarHBondContact CA-O 3.49Å; G44-F72 PolarHBondContact N-O 3.34Å |
| 45 | V | 92.4 | Very high | 90.7 | Very high | 36 Ų | 36 | 66 Ų | 66 | 22% | 0.218 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.5 | -179.5 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | L43 W64 D65 T66 Y79 | L43-V45 PolarHBondContact O-N 2.99Å; V45-W64 HydrophobicContact CG1-CE3 4.4Å; V45-W64 HydrophobicContact CG2-CB 3.92Å; V45-W64 HydrophobicContact CG2-CD2 4.47Å; V45-W64 HydrophobicContact CG2-CE3 3.96Å; V45-D65 WeakPolarHBondContact CA-O 3.46Å; V45-D65 WeakPolarHBondContact CG2-O 3.46Å; V45-T66 HydrophobicContact CG2-CG2 4.16Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CD2 4.24Å; V45-Y79 HydrophobicContact CB-CE1 3.98Å; V45-Y79 HydrophobicContact CB-CE2 4.11Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.65Å; V45-Y79 HydrophobicContact CG1-CE1 3.31Å; V45-Y79 HydrophobicContact CG1-CE2 4.32Å; V45-Y79 HydrophobicContact CG1-CG 4.28Å |
| 46 | E | 93.9 | Very high | 91.1 | Very high | 80 Ų | 80 | 70 Ų | 70 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.8 | 163.4 | -65.8 | -175.8 | -170.2 | 0 | 0 | 109.7 | T42 H48 D65 | T42-E46 HydrophobicContact CG2-CG 4.13Å; E46-H48 WeakPolarHBondContact CB-NE2 3.48Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 PolarHBondContact OE2-CE1 3.36Å; E46-H48 VanDerWaalsContact OE2-CE1 3.3Å; E46-H48 IonicContact OE2-NE2 2.79Å; E46-H48 PolarHBondContact OE2-NE2 3.23Å; E46-D65 PolarHBondContact N-O 3.45Å; E46-D65 PolarHBondContact O-N 3.48Å |
| 47 | V | 95.9 | Very high | 91.5 | Very high | 71 Ų | 71 | 67 Ų | 67 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.9 | 179.6 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | N62 V63 W64 | V47-N62 HydrophobicContact CG1-CB 4.4Å; V47-V63 CarbonylContact C-O 3.56Å; V47-V63 WeakPolarHBondContact CA-O 3.47Å; V47-W64 HydrophobicContact CG2-CD2 3.79Å; V47-W64 HydrophobicContact CG2-CE3 4.21Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.31Å |
| 48 | H | 96.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 116.3 | -176.6 | -61.3 | -83.8 | 0 | 0 | 0 | 110.3 | V27 E46 L50 V63 | V27-H48 HydrophobicContact CG1-CB 3.48Å; V27-H48 VanDerWaalsContact CG1-CB 3.48Å; E46-H48 WeakPolarHBondContact CB-NE2 3.48Å; E46-H48 IonicContact OE2-CE1 2.75Å; E46-H48 PolarHBondContact OE2-CE1 3.36Å; E46-H48 VanDerWaalsContact OE2-CE1 3.3Å; E46-H48 IonicContact OE2-NE2 2.79Å; E46-H48 PolarHBondContact OE2-NE2 3.23Å; H48-L50 PolarHBondContact O-N 3.06Å; H48-V63 PolarHBondContact N-O 3.48Å; H48-V63 PolarHBondContact O-N 2.96Å |
| 49 | P | 95.5 | Very high | 92.3 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.9 | 174.3 | 30.2 | -31.7 | 0 | 0 | 0 | 110.4 | K60 | P49-K60 HydrophobicContact CB-CD 4.2Å; P49-K60 HydrophobicContact CB-CG 4.45Å |
| 50 | L | 94.9 | Very high | 92.7 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.1 | 172.7 | -64.7 | -179.2 | 0 | 0 | 0 | 109.8 | H30 L31 H48 F52 K60 F61 V63 F161 | H30-L50 HydrophobicContact CB-CD1 3.69Å; H30-L50 HydrophobicContact CB-CD2 3.84Å; H30-L50 HydrophobicContact CB-CG 4.43Å; L31-L50 HydrophobicContact CB-CD2 4Å; L31-L50 HydrophobicContact CD1-CD2 3.88Å; H48-L50 PolarHBondContact O-N 3.06Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CB-CZ 4.49Å; L50-K60 CarbonylContact O-C 3.51Å; L50-K60 VanDerWaalsContact O-CA 3.31Å; L50-K60 WeakPolarHBondContact O-CA 3.43Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 3.41Å; L50-V63 HydrophobicContact CD1-CG2 3.86Å; L50-V63 HydrophobicContact CG-CG2 4.21Å; L50-F161 HydrophobicContact CD1-CE1 4.12Å; L50-F161 HydrophobicContact CD1-CZ 3.77Å |
| 51 | V | 93.6 | Very high | 93.2 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 38% | 0.382 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.3 | 180 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | P58 I59 K60 | V51-P58 HydrophobicContact CG1-CB 4.17Å; V51-I59 WeakPolarHBondContact CA-O 3.4Å; V51-K60 HydrophobicContact CG2-CB 4.19Å; V51-K60 HydrophobicContact CG2-CG 4.06Å |
| 52 | F | 93.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.1 | 174.9 | -63.1 | -90.9 | 0 | 0 | 0 | 109.3 | H30 L50 P58 I59 F61 F161 F176 P180 | H30-F52 AromaticContact CD2-CZ 3.83Å; L50-F52 HydrophobicContact CB-CE2 3.88Å; L50-F52 HydrophobicContact CB-CZ 4.49Å; F52-P58 WeakPolarHBondContact O-CA 3.3Å; F52-I59 PolarHBondContact N-O 2.96Å; F52-I59 PolarHBondContact O-N 3.3Å; F52-F61 AromaticContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CE2 4.3Å; F52-F61 AromaticContact CE2-CD2 3.9Å; F52-F61 HydrophobicContact CE2-CD2 3.9Å; F52-F161 HydrophobicContact CE1-CB 4.32Å; F52-F161 HydrophobicContact CE1-CD2 4.33Å; F52-F161 HydrophobicContact CE1-CG 4.35Å; F52-F161 HydrophobicContact CE2-CB 4.05Å; F52-F161 AromaticContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD2 4.28Å; F52-F161 HydrophobicContact CE2-CE1 4.2Å; F52-F161 AromaticContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CZ-CB 3.89Å; F52-F161 AromaticContact CZ-CD1 3.92Å; F52-F161 HydrophobicContact CZ-CD1 3.92Å; F52-F161 AromaticContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CE1 4.33Å; F52-F161 HydrophobicContact CZ-CE2 4.05Å; F52-F161 AromaticContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CZ 4.39Å; F52-F176 HydrophobicContact CB-CD1 4.1Å; F52-F176 HydrophobicContact CB-CE1 3.74Å; F52-F176 HydrophobicContact CB-CE2 4.4Å; F52-F176 HydrophobicContact CB-CZ 3.9Å; F52-F176 AromaticContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CE1 4.32Å; F52-F176 AromaticContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CE2 3.44Å; F52-F176 VanDerWaalsContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CG 4.49Å; F52-F176 AromaticContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD2-CZ 4.45Å; F52-F176 AromaticContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.13Å; F52-F176 HydrophobicContact CG-CE2 4.03Å; F52-F176 AromaticContact CG-CZ 3.75Å; F52-F176 HydrophobicContact CG-CZ 3.75Å; F52-P180 HydrophobicContact CE1-CG 4.32Å |
| 53 | H | 93.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.7 | 175.3 | -66.2 | 82.1 | 0 | 0 | 0 | 108.8 | F176 V177 A178 | H53-F176 WeakPolarHBondContact O-CA 2.9Å; H53-V177 HydrophobicContact CB-CG2 4Å; H53-V177 WeakPolarHBondContact O-CG2 2.95Å; H53-V177 PolarHBondContact O-N 3.09Å; H53-A178 HydrophobicContact CB-CB 4.32Å |
| 54 | T | 94.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 167.2 | -175.8 | 84.5 | 0 | 0 | 0 | 0 | 111.4 | R56 G57 I59 L174 E175 F176 | T54-R56 PolarHBondContact O-N 2.79Å; T54-R56 PolarHBondContact OG1-N 2.92Å; T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 3.08Å; T54-G57 VanDerWaalsContact N-O 3.08Å; T54-G57 PolarHBondContact O-N 3.37Å; T54-G57 PolarHBondContact OG1-N 3.02Å; T54-G57 PolarHBondContact OG1-O 3.27Å; T54-I59 HydrophobicContact CG2-CB 4.43Å; T54-I59 HydrophobicContact CG2-CD1 3.97Å; T54-I59 HydrophobicContact CG2-CG1 4.07Å; T54-L174 HydrophobicContact CG2-CD2 4.07Å; T54-L174 HydrophobicContact CG2-CG 4.48Å; T54-E175 CarbonylContact C-O 3.55Å; T54-E175 WeakPolarHBondContact CA-O 3.35Å; T54-E175 VanDerWaalsContact CB-O 3.3Å; T54-E175 WeakPolarHBondContact CB-O 3.45Å; T54-F176 HydrophobicContact CG2-CD1 3.79Å; T54-F176 HydrophobicContact CG2-CE1 4Å |
| 55 | N | 94.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 42 Ų | 42 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 3.7 | 169.7 | 64.8 | -8.8 | 0 | 0 | 0 | 113.6 | N173 L174 E175 V177 | N55-N173 PolarHBondContact ND2-O 3.37Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; N55-E175 PolarHBondContact N-O 3.02Å; N55-E175 PolarHBondContact OD1-N 2.82Å; N55-E175 PolarHBondContact OD1-O 3.44Å; N55-V177 HydrophobicContact CB-CG1 3.8Å |
| 56 | R | 93.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 40.5 Ų | 40.5 | 50% | 0.502 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 13 | 172.2 | -57.7 | -62.1 | 179.3 | -85.8 | -13.3 | 112.7 | T54 D171 L174 | T54-R56 PolarHBondContact O-N 2.79Å; T54-R56 PolarHBondContact OG1-N 2.92Å; R56-D171 IonicContact CZ-OD2 3.16Å; R56-D171 IonicContact NE-OD2 2.8Å; R56-D171 PolarHBondContact NE-OD2 3.28Å; R56-D171 IonicContact NH2-OD1 3.37Å; R56-D171 IonicContact NH2-OD2 3.6Å; R56-D171 PolarHBondContact NH2-OD2 3.3Å; R56-L174 HydrophobicContact CG-CD1 4.37Å |
| 57 | G | 92.7 | Very high | 94.9 | Very high | 31 Ų | 31 | 37 Ų | 37 | 32% | 0.32 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.6 | -179.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T54 | T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 3.08Å; T54-G57 VanDerWaalsContact N-O 3.08Å; T54-G57 PolarHBondContact O-N 3.37Å; T54-G57 PolarHBondContact OG1-N 3.02Å; T54-G57 PolarHBondContact OG1-O 3.27Å |
| 58 | P | 93.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 135 | -176.9 | 31.1 | -34.7 | 0 | 0 | 0 | 111.7 | P7 V51 F52 | P7-P58 HydrophobicContact CB-CB 4.12Å; P7-P58 HydrophobicContact CB-CG 4.08Å; V51-P58 HydrophobicContact CG1-CB 4.17Å; F52-P58 WeakPolarHBondContact O-CA 3.3Å |
| 59 | I | 95.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.6 | 173 | -64.6 | -179.1 | 0 | 0 | 0 | 108.6 | V9 F11 V51 F52 T54 F61 A165 I169 L174 | V9-I59 HydrophobicContact CG1-CG1 4.45Å; F11-I59 HydrophobicContact CD2-CG2 3.84Å; F11-I59 HydrophobicContact CE2-CG2 3.88Å; V51-I59 WeakPolarHBondContact CA-O 3.4Å; F52-I59 PolarHBondContact N-O 2.96Å; F52-I59 PolarHBondContact O-N 3.3Å; T54-I59 HydrophobicContact CG2-CB 4.43Å; T54-I59 HydrophobicContact CG2-CD1 3.97Å; T54-I59 HydrophobicContact CG2-CG1 4.07Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.99Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; I59-A165 HydrophobicContact CD1-CB 4.09Å; I59-I169 HydrophobicContact CD1-CD1 3.99Å; I59-I169 HydrophobicContact CD1-CG1 3.77Å; I59-L174 HydrophobicContact CD1-CD1 3.69Å |
| 60 | K | 96.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 39.4 Ų | 39.4 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.4 | 175.3 | -177.5 | -177.3 | -77.4 | 167.6 | 0 | 111 | P7 V9 Q10 F11 P49 L50 V51 | P7-K60 HydrophobicContact CB-CB 4.27Å; P7-K60 HydrophobicContact CG-CB 3.75Å; P7-K60 HydrophobicContact CG-CD 4.15Å; P7-K60 VanDerWaalsContact CG-CE 3.42Å; P7-K60 HydrophobicContact CG-CG 4.48Å; V9-K60 PolarHBondContact O-N 3Å; Q10-K60 CarbonylContact C-O 3.5Å; Q10-K60 WeakPolarHBondContact CA-O 3.45Å; Q10-K60 HydrophobicContact CB-CB 4.08Å; F11-K60 PolarHBondContact N-O 3.19Å; P49-K60 HydrophobicContact CB-CD 4.2Å; P49-K60 HydrophobicContact CB-CG 4.45Å; L50-K60 CarbonylContact O-C 3.51Å; L50-K60 VanDerWaalsContact O-CA 3.31Å; L50-K60 WeakPolarHBondContact O-CA 3.43Å; V51-K60 HydrophobicContact CG2-CB 4.19Å; V51-K60 HydrophobicContact CG2-CG 4.06Å |
| 61 | F | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.2 | 163.6 | -70.9 | -77.4 | 0 | 0 | 0 | 109 | F11 L13 L50 F52 I59 V63 F161 L164 A165 L168 | F11-F61 HydrophobicContact CB-CD1 3.84Å; F11-F61 HydrophobicContact CB-CE1 3.93Å; F11-F61 HydrophobicContact CD2-CE1 4.03Å; F11-F61 HydrophobicContact CD2-CZ 4.4Å; F11-F61 HydrophobicContact CG-CE1 4.33Å; F11-F61 WeakPolarHBondContact O-CA 3.38Å; L13-F61 HydrophobicContact CB-CB 4.45Å; L13-F61 HydrophobicContact CB-CD1 4.04Å; L13-F61 HydrophobicContact CD1-CD1 3.82Å; L13-F61 HydrophobicContact CD1-CE1 4.27Å; L13-F61 HydrophobicContact CD1-CG 4.24Å; L50-F61 PolarHBondContact N-O 3.31Å; L50-F61 PolarHBondContact O-N 3.41Å; F52-F61 AromaticContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CD2 3.85Å; F52-F61 HydrophobicContact CD2-CE2 4.3Å; F52-F61 AromaticContact CE2-CD2 3.9Å; F52-F61 HydrophobicContact CE2-CD2 3.9Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.99Å; I59-F61 HydrophobicContact CG2-CZ 4.3Å; F61-V63 HydrophobicContact CB-CG2 3.98Å; F61-V63 PolarHBondContact O-N 3.05Å; F61-F161 AromaticContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.13Å; F61-F161 HydrophobicContact CG-CD1 4.22Å; F61-L164 HydrophobicContact CE1-CB 4.33Å; F61-L164 HydrophobicContact CZ-CB 4.11Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.22Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.24Å |
| 62 | N | 97.7 | Very high | 90.7 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 97.4 | 164.6 | -67.1 | -53 | 0 | 0 | 0 | 106.6 | F11 L13 V47 W64 | F11-N62 PolarHBondContact O-N 3.01Å; L13-N62 PolarHBondContact N-O 3.3Å; V47-N62 HydrophobicContact CG1-CB 4.4Å; N62-W64 VanDerWaalsContact O-CD1 3.3Å |
| 63 | V | 98 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.1 | -175.4 | -179 | 0 | 0 | 0 | 0 | 110 | L13 L15 V27 V47 H48 L50 F61 D65 F161 | L13-V63 HydrophobicContact CB-CG2 4.42Å; L13-V63 HydrophobicContact CD2-CB 4.47Å; L13-V63 HydrophobicContact CD2-CG1 3.89Å; L13-V63 HydrophobicContact CD2-CG2 4.23Å; L13-V63 CarbonylContact O-C 3.58Å; L13-V63 WeakPolarHBondContact O-CA 3.4Å; L15-V63 HydrophobicContact CB-CG1 4.09Å; L15-V63 HydrophobicContact CD2-CG1 4.34Å; V27-V63 HydrophobicContact CG2-CG1 3.68Å; V47-V63 CarbonylContact C-O 3.56Å; V47-V63 WeakPolarHBondContact CA-O 3.47Å; H48-V63 PolarHBondContact N-O 3.48Å; H48-V63 PolarHBondContact O-N 2.96Å; L50-V63 HydrophobicContact CD1-CG2 3.86Å; L50-V63 HydrophobicContact CG-CG2 4.21Å; F61-V63 HydrophobicContact CB-CG2 3.98Å; F61-V63 PolarHBondContact O-N 3.05Å; V63-D65 PolarHBondContact O-N 3.04Å; V63-F161 HydrophobicContact CG2-CE1 4.15Å |
| 64 | W | 97.3 | Very high | 88.7 | Confident | 63 Ų | 63 | 44.5 Ų | 44.5 | 24% | 0.239 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 92.4 | 173.8 | -68.6 | 56.2 | 0 | 0 | 0 | 107.7 | K12 L13 V14 L15 V45 V47 N62 T66 Y79 | K12-W64 HydrophobicContact CD-CZ2 4.28Å; L13-W64 PolarHBondContact O-N 3.39Å; V14-W64 HydrophobicContact CG1-CB 4.11Å; V14-W64 HydrophobicContact CG1-CG 4.47Å; L15-W64 PolarHBondContact N-O 3.38Å; V45-W64 HydrophobicContact CG1-CE3 4.4Å; V45-W64 HydrophobicContact CG2-CB 3.92Å; V45-W64 HydrophobicContact CG2-CD2 4.47Å; V45-W64 HydrophobicContact CG2-CE3 3.96Å; V47-W64 HydrophobicContact CG2-CD2 3.79Å; V47-W64 HydrophobicContact CG2-CE3 4.21Å; V47-W64 HydrophobicContact CG2-CG 4.04Å; V47-W64 HydrophobicContact CG2-CZ2 4.31Å; N62-W64 VanDerWaalsContact O-CD1 3.3Å; W64-T66 PolarHBondContact O-N 3.02Å; W64-Y79 HydrophobicContact CE3-CD1 4.22Å; W64-Y79 AromaticContact CZ3-CD1 4Å; W64-Y79 HydrophobicContact CZ3-CD1 4Å |
| 65 | D | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 105.4 | 174.3 | -179.7 | 30.3 | 0 | 0 | 0 | 109.4 | K23 T24 V27 V45 E46 V63 | K23-D65 VanDerWaalsContact CB-OD1 3.29Å; K23-D65 WeakPolarHBondContact CB-OD1 3.29Å; T24-D65 VanDerWaalsContact CA-OD2 3.23Å; T24-D65 WeakPolarHBondContact CA-OD2 3.27Å; T24-D65 VanDerWaalsContact CB-OD2 3.24Å; T24-D65 WeakPolarHBondContact CB-OD2 3.28Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.4Å; T24-D65 PolarHBondContact OG1-OD2 3.37Å; V27-D65 HydrophobicContact CG2-CB 4.47Å; V45-D65 WeakPolarHBondContact CA-O 3.46Å; V45-D65 WeakPolarHBondContact CG2-O 3.46Å; E46-D65 PolarHBondContact N-O 3.45Å; E46-D65 PolarHBondContact O-N 3.48Å; V63-D65 PolarHBondContact O-N 3.04Å |
| 66 | T | 93.2 | Very high | 87.2 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 149.7 | -174.3 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | L15 V16 K23 V45 W64 G68 Y79 | L15-T66 PolarHBondContact O-N 3.2Å; L15-T66 PolarHBondContact O-OG1 2.86Å; V16-T66 HydrophobicContact CG1-CG2 4.47Å; K23-T66 WeakPolarHBondContact CE-O 3.17Å; V45-T66 HydrophobicContact CG2-CG2 4.16Å; W64-T66 PolarHBondContact O-N 3.02Å; T66-G68 PolarHBondContact O-N 2.82Å; T66-Y79 HydrophobicContact CG2-CD2 4.45Å |
| 67 | A | 89.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | trans | -62.6 | 123.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T42 G44 F72 | T42-A67 WeakPolarHBondContact O-CB 3.41Å; G44-A67 WeakPolarHBondContact O-CB 3.27Å; G44-A67 PolarHBondContact O-N 2.97Å; A67-F72 HydrophobicContact CB-CB 4Å; A67-F72 WeakPolarHBondContact CB-O 3.45Å | ||
| 68 | G | 80.5 | Confident | 86.4 | Confident | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | trans | -88 | -3.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G17 D18 G19 T66 | G17-G68 WeakPolarHBondContact O-CA 3.41Å; D18-G68 CarbonylContact C-O 3.57Å; G19-G68 VanDerWaalsContact N-C 3.33Å; G19-G68 PolarHBondContact N-O 2.85Å; T66-G68 PolarHBondContact O-N 2.82Å | ||
| 69 | Q | 78.7 | Confident | 86.4 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -102.2 | 127.8 | 175.7 | -63.2 | -170.5 | 25.7 | 0 | 0 | 109.1 | Y39 K71 F72 G73 | Y39-Q69 PolarHBondContact OH-NE2 2.85Å; Q69-K71 HydrophobicContact CB-CG 4.25Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-K71 VanDerWaalsContact O-N 3.14Å; Q69-F72 HydrophobicContact CB-CD2 3.81Å; Q69-F72 HydrophobicContact CG-CD2 4.35Å; Q69-F72 CarbonylContact O-C 3.51Å; Q69-F72 PolarHBondContact O-N 2.87Å; Q69-G73 PolarHBondContact O-N 2.96Å |
| 70 | E | 74.6 | Confident | 86.3 | Confident | 145 Ų | 145 | 46.8 Ų | 46.8 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -49.7 | -41.8 | -178.8 | -76.8 | -138 | -160.8 | 0 | 0 | 114.3 | F72 G73 R76 | E70-F72 PolarHBondContact O-N 2.96Å; E70-G73 PolarHBondContact O-N 2.89Å; E70-R76 VanDerWaalsContact CA-NH2 3.31Å; E70-R76 PolarHBondContact O-NH2 3.18Å; E70-R76 IonicContact OE2-CZ 3.09Å; E70-R76 IonicContact OE2-NH1 2.69Å; E70-R76 PolarHBondContact OE2-NH1 3.25Å; E70-R76 VanDerWaalsContact OE2-NH1 3.09Å; E70-R76 IonicContact OE2-NH2 3.63Å; E70-R76 PolarHBondContact OE2-NH2 2.77Å |
| 71 | K | 77 | Confident | 86.3 | Confident | 159 Ų | 159 | 49.9 Ų | 49.9 | 69% | 0.691 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -65.9 | -18.7 | 178.8 | 60 | 172.9 | 171.8 | 174.9 | 0 | 114.5 | Q69 | Q69-K71 HydrophobicContact CB-CG 4.25Å; Q69-K71 PolarHBondContact O-N 3.16Å; Q69-K71 VanDerWaalsContact O-N 3.14Å |
| 72 | F | 76.2 | Confident | 86.1 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 27% | 0.272 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -112.9 | 8.5 | 179.7 | -56.4 | -46.8 | 0 | 0 | 0 | 112.1 | A41 L43 G44 A67 Q69 E70 G74 | A41-F72 HydrophobicContact CB-CD2 3.79Å; A41-F72 HydrophobicContact CB-CE2 3.72Å; L43-F72 HydrophobicContact CD2-CB 4.2Å; L43-F72 HydrophobicContact CD2-CD1 3.55Å; L43-F72 HydrophobicContact CD2-CD2 4.47Å; L43-F72 HydrophobicContact CD2-CE1 3.97Å; L43-F72 HydrophobicContact CD2-CG 3.85Å; G44-F72 WeakPolarHBondContact CA-O 3.49Å; G44-F72 PolarHBondContact N-O 3.34Å; A67-F72 HydrophobicContact CB-CB 4Å; A67-F72 WeakPolarHBondContact CB-O 3.45Å; Q69-F72 HydrophobicContact CB-CD2 3.81Å; Q69-F72 HydrophobicContact CG-CD2 4.35Å; Q69-F72 CarbonylContact O-C 3.51Å; Q69-F72 PolarHBondContact O-N 2.87Å; E70-F72 PolarHBondContact O-N 2.96Å; F72-G74 PolarHBondContact O-N 3.14Å; F72-G74 VanDerWaalsContact O-N 3.09Å |
| 73 | G | 65.3 | Low | 86.1 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | trans | -65.8 | -13.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q69 E70 L75 R76 Y79 | Q69-G73 PolarHBondContact O-N 2.96Å; E70-G73 PolarHBondContact O-N 2.89Å; G73-L75 PolarHBondContact O-N 3.08Å; G73-R76 WeakPolarHBondContact O-CA 3.41Å; G73-R76 WeakPolarHBondContact O-CG 3.14Å; G73-R76 PolarHBondContact O-N 3.39Å; G73-Y79 WeakPolarHBondContact O-CE2 3.32Å | ||
| 74 | G | 81 | Confident | 86.1 | Confident | 62 Ų | 62 | 60 Ų | 60 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -125.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F72 R76 | F72-G74 PolarHBondContact O-N 3.14Å; F72-G74 VanDerWaalsContact O-N 3.09Å; G74-R76 PolarHBondContact O-N 3.17Å |
| 75 | L | 79.2 | Confident | 86.2 | Confident | 125 Ų | 125 | 57 Ų | 57 | 65% | 0.654 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.9 | 177.7 | -65.2 | 173.7 | 0 | 0 | 0 | 114.4 | G73 D77 G78 Y79 | G73-L75 PolarHBondContact O-N 3.08Å; L75-D77 PolarHBondContact O-N 3.05Å; L75-G78 PolarHBondContact O-N 3.16Å; L75-Y79 HydrophobicContact CB-CD1 4.13Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE1 3.77Å; L75-Y79 HydrophobicContact CB-CE2 3.94Å; L75-Y79 HydrophobicContact CB-CG 4.38Å; L75-Y79 HydrophobicContact CD1-CD1 4.3Å; L75-Y79 HydrophobicContact CD1-CE1 3.77Å; L75-Y79 HydrophobicContact CG-CE1 4.05Å; L75-Y79 PolarHBondContact N-OH 3.21Å |
| 76 | R | 78.4 | Confident | 86.3 | Confident | 105 Ų | 105 | 57 Ų | 57 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | 43.9 | -110.2 | -175.2 | -62.3 | -172 | -178.6 | -165.2 | 1.8 | 111.7 | E70 G73 G74 G78 Y79 | E70-R76 VanDerWaalsContact CA-NH2 3.31Å; E70-R76 PolarHBondContact O-NH2 3.18Å; E70-R76 IonicContact OE2-CZ 3.09Å; E70-R76 IonicContact OE2-NH1 2.69Å; E70-R76 PolarHBondContact OE2-NH1 3.25Å; E70-R76 VanDerWaalsContact OE2-NH1 3.09Å; E70-R76 IonicContact OE2-NH2 3.63Å; E70-R76 PolarHBondContact OE2-NH2 2.77Å; G73-R76 WeakPolarHBondContact O-CA 3.41Å; G73-R76 WeakPolarHBondContact O-CG 3.14Å; G73-R76 PolarHBondContact O-N 3.39Å; G74-R76 PolarHBondContact O-N 3.17Å; R76-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact O-N 3.14Å; R76-Y79 WeakPolarHBondContact O-CB 3.29Å; R76-Y79 VanDerWaalsContact O-CD2 3.22Å; R76-Y79 WeakPolarHBondContact O-CD2 3.43Å; R76-Y79 PolarHBondContact O-N 3.39Å |
| 77 | D | 81.1 | Confident | 86.6 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -58.1 | -26.6 | -177.8 | -54.8 | 7.8 | 0 | 0 | 0 | 112.9 | L75 Y79 Y80 V111 | L75-D77 PolarHBondContact O-N 3.05Å; D77-Y79 PolarHBondContact O-N 2.95Å; D77-Y80 HydrophobicContact CB-CD2 4.12Å; D77-Y80 HydrophobicContact CB-CE2 4.16Å; D77-Y80 VanDerWaalsContact O-CB 3.32Å; D77-Y80 WeakPolarHBondContact O-CB 3.36Å; D77-Y80 PolarHBondContact O-N 3.27Å; D77-V111 HydrophobicContact CB-CG2 3.99Å |
| 78 | G | 88.8 | Confident | 87 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.3 | -25.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | L75 R76 Y80 | L75-G78 PolarHBondContact O-N 3.16Å; R76-G78 PolarHBondContact O-N 2.91Å; R76-G78 VanDerWaalsContact O-N 3.14Å; G78-Y80 PolarHBondContact O-N 3.28Å |
| 79 | Y | 92.4 | Very high | 87.8 | Confident | 31 Ų | 31 | 56 Ų | 56 | 12% | 0.122 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -71.4 | -20.4 | 174.1 | -60.4 | -50.5 | 0 | 0 | 0 | 112.8 | K12 V45 W64 T66 G73 L75 R76 D77 | K12-Y79 VanDerWaalsContact CE-O 3.27Å; K12-Y79 WeakPolarHBondContact CE-O 3.38Å; K12-Y79 PolarHBondContact NZ-O 2.79Å; V45-Y79 HydrophobicContact CB-CD1 4.12Å; V45-Y79 HydrophobicContact CB-CD2 4.24Å; V45-Y79 HydrophobicContact CB-CE1 3.98Å; V45-Y79 HydrophobicContact CB-CE2 4.11Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.65Å; V45-Y79 HydrophobicContact CG1-CE1 3.31Å; V45-Y79 HydrophobicContact CG1-CE2 4.32Å; V45-Y79 HydrophobicContact CG1-CG 4.28Å; W64-Y79 HydrophobicContact CE3-CD1 4.22Å; W64-Y79 AromaticContact CZ3-CD1 4Å; W64-Y79 HydrophobicContact CZ3-CD1 4Å; T66-Y79 HydrophobicContact CG2-CD2 4.45Å; G73-Y79 WeakPolarHBondContact O-CE2 3.32Å; L75-Y79 HydrophobicContact CB-CD1 4.13Å; L75-Y79 HydrophobicContact CB-CD2 4.29Å; L75-Y79 HydrophobicContact CB-CE1 3.77Å; L75-Y79 HydrophobicContact CB-CE2 3.94Å; L75-Y79 HydrophobicContact CB-CG 4.38Å; L75-Y79 HydrophobicContact CD1-CD1 4.3Å; L75-Y79 HydrophobicContact CD1-CE1 3.77Å; L75-Y79 HydrophobicContact CG-CE1 4.05Å; L75-Y79 PolarHBondContact N-OH 3.21Å; R76-Y79 WeakPolarHBondContact O-CB 3.29Å; R76-Y79 VanDerWaalsContact O-CD2 3.22Å; R76-Y79 WeakPolarHBondContact O-CD2 3.43Å; R76-Y79 PolarHBondContact O-N 3.39Å; D77-Y79 PolarHBondContact O-N 2.95Å |
| 80 | Y | 94.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -79 | -21.5 | -174.9 | -50.7 | -19.9 | 0 | 0 | 0 | 112.7 | V14 V16 D77 G78 Q82 A83 D107 L108 V111 C112 | V14-Y80 HydrophobicContact CB-CD1 4.42Å; V14-Y80 HydrophobicContact CG1-CD1 4.36Å; V16-Y80 HydrophobicContact CG1-CD1 4.47Å; V16-Y80 HydrophobicContact CG1-CE1 3.63Å; D77-Y80 HydrophobicContact CB-CD2 4.12Å; D77-Y80 HydrophobicContact CB-CE2 4.16Å; D77-Y80 VanDerWaalsContact O-CB 3.32Å; D77-Y80 WeakPolarHBondContact O-CB 3.36Å; D77-Y80 PolarHBondContact O-N 3.27Å; G78-Y80 PolarHBondContact O-N 3.28Å; Y80-Q82 PolarHBondContact O-N 3.09Å; Y80-A83 WeakPolarHBondContact O-CB 3.26Å; Y80-A83 PolarHBondContact O-N 2.88Å; Y80-D107 HydrophobicContact CE2-CB 4.25Å; Y80-L108 HydrophobicContact CD1-CD2 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 3.93Å; Y80-L108 HydrophobicContact CD2-CG 4.4Å; Y80-L108 HydrophobicContact CE1-CD2 4.4Å; Y80-L108 HydrophobicContact CE2-CD2 4.27Å; Y80-L108 HydrophobicContact CE2-CG 4.39Å; Y80-L108 HydrophobicContact CG-CD2 3.84Å; Y80-V111 HydrophobicContact CD2-CB 4.47Å; Y80-V111 HydrophobicContact CD2-CG2 4.14Å; Y80-C112 PolarHBondContact O-SG 3.27Å |
| 81 | I | 94.7 | Very high | 89.9 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 126.6 | -176.6 | -64.7 | 172.7 | 0 | 0 | 0 | 111.1 | K12 A83 V111 | K12-I81 PolarHBondContact NZ-O 3.05Å; I81-A83 PolarHBondContact O-N 3.06Å; I81-V111 HydrophobicContact CG1-CG1 3.95Å |
| 82 | Q | 95 | Very high | 90.9 | Very high | 164 Ų | 164 | 39.7 Ų | 39.7 | 77% | 0.766 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 20.8 | -178.8 | -60.3 | 172.4 | -14.7 | 0 | 0 | 114.9 | Y80 Q84 | Y80-Q82 PolarHBondContact O-N 3.09Å; Q82-Q84 PolarHBondContact O-N 2.93Å |
| 83 | A | 97.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -59.7 | 138.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | K12 V14 Y80 I81 I115 | K12-A83 HydrophobicContact CG-CB 4.46Å; V14-A83 HydrophobicContact CB-CB 4.45Å; V14-A83 HydrophobicContact CG1-CB 3.78Å; V14-A83 HydrophobicContact CG2-CB 3.83Å; Y80-A83 WeakPolarHBondContact O-CB 3.26Å; Y80-A83 PolarHBondContact O-N 2.88Å; I81-A83 PolarHBondContact O-N 3.06Å; A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 WeakPolarHBondContact O-CG2 3.34Å | ||
| 84 | Q | 98.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 39% | 0.388 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -99.6 | -20.5 | 177.2 | -68.3 | 161.7 | -77.7 | 0 | 0 | 111 | F11 K12 Q82 P116 L168 | F11-Q84 VanDerWaalsContact CA-OE1 3.26Å; F11-Q84 HydrophobicContact CD1-CB 4.28Å; K12-Q84 PolarHBondContact O-N 2.96Å; Q82-Q84 PolarHBondContact O-N 2.93Å; Q84-P116 WeakPolarHBondContact O-CD 3.49Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.46Å |
| 85 | C | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 165 | 175.9 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | K12 L13 V14 P116 L164 L168 | K12-C85 PolarHBondContact O-N 2.85Å; L13-C85 WeakPolarHBondContact CA-O 3.26Å; V14-C85 PolarHBondContact N-O 3.24Å; V14-C85 VanDerWaalsContact N-O 3.09Å; C85-P116 WeakPolarHBondContact CA-O 3.41Å; C85-P116 HydrophobicContact CB-CG 3.99Å; C85-P116 WeakPolarHBondContact CB-O 3.47Å; C85-L164 HydrophobicContact CB-CD1 4.32Å; C85-L164 HydrophobicContact CB-CD2 3.71Å; C85-L164 HydrophobicContact CB-CG 4.5Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å |
| 86 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V14 L108 I115 P116 I117 V118 | V14-A86 HydrophobicContact CG2-CB 3.57Å; V14-A86 CarbonylContact O-C 3.58Å; V14-A86 VanDerWaalsContact O-CA 3.26Å; V14-A86 WeakPolarHBondContact O-CA 3.32Å; A86-L108 HydrophobicContact CB-CD1 3.76Å; A86-L108 HydrophobicContact CB-CD2 4.12Å; A86-I115 HydrophobicContact CB-CD1 3.99Å; A86-P116 PolarHBondContact N-O 3.32Å; A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.21Å; A86-I117 WeakPolarHBondContact O-CA 3.49Å; A86-V118 PolarHBondContact O-N 3Å |
| 87 | I | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.5 | 164 | -63.6 | 177.2 | 0 | 0 | 0 | 107.8 | L13 V14 L15 V16 F26 V118 C120 P160 F161 L164 | L13-I87 HydrophobicContact CD1-CD1 3.99Å; L13-I87 HydrophobicContact CD1-CG1 4.23Å; L13-I87 HydrophobicContact CD2-CB 4.49Å; L13-I87 HydrophobicContact CD2-CD1 4.17Å; L13-I87 HydrophobicContact CD2-CG1 4.17Å; V14-I87 PolarHBondContact O-N 2.84Å; L15-I87 WeakPolarHBondContact CA-O 3.49Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.58Å; V16-I87 PolarHBondContact N-O 3.5Å; F26-I87 HydrophobicContact CE1-CD1 4.32Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 WeakPolarHBondContact CA-O 3.49Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I87-C120 HydrophobicContact CG2-CB 4.35Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; I87-F161 HydrophobicContact CD1-CE1 4.4Å; I87-F161 HydrophobicContact CD1-CZ 4.44Å; I87-L164 HydrophobicContact CD1-CD1 4.15Å; I87-L164 HydrophobicContact CG1-CD1 3.86Å |
| 88 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.4 | 169.6 | -53.4 | 177.4 | 0 | 0 | 0 | 107.4 | V16 V101 W104 H105 L108 I117 V118 L119 C120 | V16-I88 HydrophobicContact CG2-CB 4.24Å; V16-I88 HydrophobicContact CG2-CG1 3.73Å; V16-I88 HydrophobicContact CG2-CG2 4.33Å; I88-V101 HydrophobicContact CG2-CG1 4.21Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; I88-H105 HydrophobicContact CD1-CB 3.82Å; I88-L108 HydrophobicContact CD1-CD1 3.89Å; I88-L108 HydrophobicContact CG1-CD1 3.76Å; I88-I117 HydrophobicContact CD1-CG2 3.84Å; I88-I117 HydrophobicContact CG1-CG2 3.79Å; I88-V118 PolarHBondContact N-O 3.13Å; I88-L119 HydrophobicContact CB-CD1 4.05Å; I88-L119 HydrophobicContact CG2-CD1 4.06Å; I88-L119 CarbonylContact O-C 3.57Å; I88-L119 WeakPolarHBondContact O-CA 3.47Å; I88-C120 PolarHBondContact O-N 2.92Å |
| 89 | M | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.9 | -177.9 | -172 | 176.3 | -66.5 | 0 | 0 | 111.8 | L15 V16 G17 K23 F26 C120 N122 I149 | L15-M89 HydrophobicContact CD1-CB 4.45Å; L15-M89 HydrophobicContact CD1-CE 4.34Å; V16-M89 PolarHBondContact O-N 3.48Å; G17-M89 WeakPolarHBondContact CA-O 3.43Å; K23-M89 HydrophobicContact CG-CB 4.1Å; K23-M89 HydrophobicContact CG-SD 4.21Å; F26-M89 HydrophobicContact CB-CE 3.8Å; F26-M89 HydrophobicContact CD1-CE 3.96Å; F26-M89 HydrophobicContact CD2-CE 4.14Å; F26-M89 HydrophobicContact CG-CE 3.71Å; M89-C120 WeakPolarHBondContact CA-O 3.18Å; M89-C120 HydrophobicContact CG-CB 4.4Å; M89-N122 HydrophobicContact CG-CB 4Å; M89-N122 HydrophobicContact SD-CB 3.91Å; M89-I149 HydrophobicContact CE-CD1 3.8Å |
| 90 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 168.9 | 168.4 | 72.7 | -85.6 | 0 | 0 | 0 | 110.9 | V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146 | F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CG 4.31Å; F90-Y98 AromaticContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CE2 4.09Å; F90-Y98 AromaticContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CG 4.28Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CE2 4.16Å; F90-V101 HydrophobicContact CB-CG2 4.03Å; F90-V101 HydrophobicContact CD1-CG2 4Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; F90-L119 HydrophobicContact CD1-CD1 3.8Å; F90-L119 HydrophobicContact CD1-CG 4.31Å; F90-L119 HydrophobicContact CE1-CD1 3.96Å; F90-L119 HydrophobicContact CE1-CD2 4.3Å; F90-L119 HydrophobicContact CE1-CG 3.96Å; F90-C120 VanDerWaalsContact CD1-O 3.31Å; F90-C120 WeakPolarHBondContact CD1-O 3.32Å; F90-C120 PolarHBondContact N-O 3.42Å; F90-G121 VanDerWaalsContact CZ-CA 3.44Å; F90-N122 PolarHBondContact O-N 2.95Å; F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; F90-I136 HydrophobicContact CE2-CD1 4.45Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.35Å; F90-Y146 AromaticContact CE1-CE2 3.77Å; F90-Y146 HydrophobicContact CE1-CE2 3.77Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å |
| 91 | D | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120 | 179.4 | -177.7 | -18.5 | 0 | 0 | 0 | 109.7 | T21 T93 S94 T97 K123 | T21-D91 HydrophobicContact CG2-CB 4.34Å; D91-T93 PolarHBondContact O-N 3.24Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.27Å; D91-T93 WeakPolarHBondContact OD1-CB 3.47Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.04Å; D91-T93 PolarHBondContact OD2-OG1 2.98Å; D91-S94 PolarHBondContact O-N 3.35Å; D91-T97 HydrophobicContact CB-CG2 4.4Å; D91-T97 PolarHBondContact N-OG1 3.24Å; D91-T97 PolarHBondContact O-OG1 2.72Å; D91-K123 WeakPolarHBondContact OD2-CD 3.44Å; D91-K123 VanDerWaalsContact OD2-CE 3.23Å; D91-K123 WeakPolarHBondContact OD2-CE 3.45Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 2.68Å |
| 92 | V | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | F90 N122 V124 R129 K130 V131 | F90-V92 HydrophobicContact CE2-CG1 3.98Å; F90-V92 HydrophobicContact CZ-CG1 4.49Å; V92-N122 WeakPolarHBondContact CG1-O 3.26Å; V92-N122 WeakPolarHBondContact CG2-O 3.43Å; V92-N122 PolarHBondContact N-O 3.14Å; V92-V124 HydrophobicContact CG1-CG1 4Å; V92-V124 HydrophobicContact CG2-CG1 4.09Å; V92-R129 HydrophobicContact CB-CG 4.08Å; V92-R129 HydrophobicContact CG2-CG 4.08Å; V92-K130 PolarHBondContact O-N 3.48Å; V92-V131 PolarHBondContact O-N 3.29Å |
| 93 | T | 97.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.221 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.3 | 175.8 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | D91 I126 K130 | D91-T93 PolarHBondContact O-N 3.24Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.27Å; D91-T93 WeakPolarHBondContact OD1-CB 3.47Å; D91-T93 PolarHBondContact OD1-N 3.19Å; D91-T93 PolarHBondContact OD1-OG1 3.04Å; D91-T93 PolarHBondContact OD2-OG1 2.98Å; T93-I126 HydrophobicContact CG2-CB 3.65Å; T93-I126 HydrophobicContact CG2-CD1 3.88Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.69Å; T93-K130 WeakPolarHBondContact O-CG 3.48Å |
| 94 | S | 97.1 | Very high | 97.5 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | trans | -130.1 | 102.5 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | D91 V96 T97 | D91-S94 PolarHBondContact O-N 3.35Å; S94-V96 VanDerWaalsContact C-N 3.25Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; S94-T97 PolarHBondContact O-N 3.09Å; S94-T97 VanDerWaalsContact O-N 3.12Å; S94-T97 PolarHBondContact O-OG1 2.82Å | ||
| 95 | R | 96.7 | Very high | 97.4 | Very high | 178 Ų | 178 | 37.3 Ų | 37.3 | 67% | 0.672 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -57.5 | -35.3 | -177.1 | -64.7 | -172.1 | 179.1 | 169 | 3.2 | 113.6 | T97 Y98 K99 K130 V131 | R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.75Å; R95-Y98 PolarHBondContact O-N 2.97Å; R95-K99 PolarHBondContact O-N 3.48Å; R95-K130 HydrophobicContact CG-CB 3.81Å; R95-K130 PolarHBondContact NE-O 2.86Å; R95-V131 HydrophobicContact CB-CG2 4.49Å; R95-V131 HydrophobicContact CG-CG2 4.19Å |
| 96 | V | 97.2 | Very high | 97.2 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -38.1 | -179.7 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | S94 Y98 K99 N100 | S94-V96 VanDerWaalsContact C-N 3.25Å; S94-V96 PolarHBondContact O-N 2.98Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.38Å; V96-K99 WeakPolarHBondContact O-CB 3.02Å; V96-K99 PolarHBondContact O-N 2.99Å; V96-K99 VanDerWaalsContact O-N 3.15Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 PolarHBondContact O-ND2 2.9Å |
| 97 | T | 97.7 | Very high | 97 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.7 | -33.1 | -179.8 | 69 | 0 | 0 | 0 | 0 | 112.1 | D18 T21 D91 S94 R95 | D18-T97 HydrophobicContact CB-CG2 3.83Å; D18-T97 WeakPolarHBondContact OD2-CA 3.35Å; T21-T97 HydrophobicContact CG2-CG2 3.93Å; D91-T97 HydrophobicContact CB-CG2 4.4Å; D91-T97 PolarHBondContact N-OG1 3.24Å; D91-T97 PolarHBondContact O-OG1 2.72Å; S94-T97 PolarHBondContact O-N 3.09Å; S94-T97 VanDerWaalsContact O-N 3.12Å; S94-T97 PolarHBondContact O-OG1 2.82Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.75Å |
| 98 | Y | 97.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 14% | 0.137 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.9 | -40.7 | 172.4 | -174.2 | -111.8 | 0 | 0 | 0 | 111.9 | F90 R95 V96 N100 V101 L119 V131 S135 I136 V137 F138 | F90-Y98 AromaticContact CD1-CD2 3.89Å; F90-Y98 HydrophobicContact CD1-CD2 3.89Å; F90-Y98 AromaticContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CD2 3.9Å; F90-Y98 HydrophobicContact CD2-CG 4.31Å; F90-Y98 AromaticContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CD2 3.73Å; F90-Y98 HydrophobicContact CE1-CE2 4.09Å; F90-Y98 AromaticContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CD2 3.77Å; F90-Y98 HydrophobicContact CE2-CG 4.28Å; F90-Y98 AromaticContact CG-CD2 3.97Å; F90-Y98 HydrophobicContact CG-CD2 3.97Å; F90-Y98 AromaticContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CD2 3.68Å; F90-Y98 HydrophobicContact CZ-CE2 4.16Å; R95-Y98 PolarHBondContact O-N 2.97Å; V96-Y98 VanDerWaalsContact C-N 3.29Å; V96-Y98 PolarHBondContact O-N 3.38Å; Y98-N100 PolarHBondContact O-N 3.03Å; Y98-V101 HydrophobicContact CD2-CG2 4.07Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 2.91Å; Y98-L119 HydrophobicContact CE2-CD2 4.31Å; Y98-V131 HydrophobicContact CD1-CG1 3.97Å; Y98-V131 HydrophobicContact CD2-CG1 4.36Å; Y98-V131 HydrophobicContact CG-CG1 3.86Å; Y98-S135 WeakPolarHBondContact CE1-O 3.05Å; Y98-I136 HydrophobicContact CE2-CB 4.4Å; Y98-I136 HydrophobicContact CE2-CG1 4.3Å; Y98-I136 HydrophobicContact CE2-CG2 3.84Å; Y98-I136 VanDerWaalsContact OH-CA 3.26Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; Y98-V137 PolarHBondContact OH-N 3.37Å; Y98-F138 VanDerWaalsContact OH-CB 3.28Å; Y98-F138 WeakPolarHBondContact OH-CB 3.05Å; Y98-F138 PolarHBondContact OH-N 2.97Å; Y98-F138 VanDerWaalsContact OH-N 3.17Å |
| 99 | K | 97.1 | Very high | 96.7 | Very high | 167 Ų | 167 | 46.2 Ų | 46.2 | 73% | 0.726 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -59.3 | -27.6 | 175.7 | -170.9 | 175.8 | 179.9 | 177.6 | 0 | 112.5 | R95 V96 P102 | R95-K99 PolarHBondContact O-N 3.48Å; V96-K99 WeakPolarHBondContact O-CB 3.02Å; V96-K99 PolarHBondContact O-N 2.99Å; V96-K99 VanDerWaalsContact O-N 3.15Å; K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å |
| 100 | N | 97 | Very high | 96.5 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -11.4 | 178.1 | -71.2 | -21.1 | 0 | 0 | 0 | 114.4 | D18 V96 Y98 P102 N103 W104 | D18-N100 WeakPolarHBondContact OD1-CB 3.16Å; D18-N100 PolarHBondContact OD2-ND2 3.14Å; V96-N100 PolarHBondContact O-N 3.45Å; V96-N100 PolarHBondContact O-ND2 2.9Å; Y98-N100 PolarHBondContact O-N 3.03Å; N100-P102 VanDerWaalsContact C-CD 3.45Å; N100-P102 VanDerWaalsContact C-N 3.35Å; N100-N103 WeakPolarHBondContact O-CB 2.77Å; N100-N103 PolarHBondContact O-N 2.85Å; N100-W104 VanDerWaalsContact O-CD1 3.25Å; N100-W104 PolarHBondContact O-N 2.81Å |
| 101 | V | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.2 | -43.5 | 178 | 167.8 | 0 | 0 | 0 | 0 | 113.3 | I88 F90 Y98 N103 W104 H105 L119 F138 | I88-V101 HydrophobicContact CG2-CG1 4.21Å; I88-V101 HydrophobicContact CG2-CG2 4.29Å; F90-V101 HydrophobicContact CB-CG2 4.03Å; F90-V101 HydrophobicContact CD1-CG2 4Å; F90-V101 HydrophobicContact CG-CG2 4.25Å; Y98-V101 HydrophobicContact CD2-CG2 4.07Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.43Å; Y98-V101 WeakPolarHBondContact O-CG2 3.48Å; Y98-V101 PolarHBondContact O-N 2.91Å; V101-N103 PolarHBondContact O-N 3.17Å; V101-W104 PolarHBondContact O-N 3.08Å; V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.25Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.63Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.93Å; V101-F138 HydrophobicContact CG1-CD1 3.51Å; V101-F138 HydrophobicContact CG1-CE1 3.75Å; V101-F138 HydrophobicContact CG1-CG 4.13Å |
| 102 | P | 97 | Very high | 96.2 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.1 | -34.3 | 176.2 | -25.1 | 35 | 0 | 0 | 0 | 114 | K99 N100 R106 F138 | K99-P102 VanDerWaalsContact O-CD 3.31Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å; N100-P102 VanDerWaalsContact C-CD 3.45Å; N100-P102 VanDerWaalsContact C-N 3.35Å; P102-R106 VanDerWaalsContact O-CB 3.27Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 2.88Å; P102-F138 HydrophobicContact CB-CD2 4.45Å; P102-F138 HydrophobicContact CB-CE2 3.73Å; P102-F138 HydrophobicContact CB-CZ 4.17Å; P102-F138 HydrophobicContact CG-CD2 3.89Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.37Å |
| 103 | N | 95.2 | Very high | 95.8 | Very high | 65 Ų | 65 | 64.1 Ų | 64.1 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.7 | -50.9 | 177.4 | -65.6 | -36.1 | 0 | 0 | 0 | 110.5 | N100 V101 H105 R106 D107 | N100-N103 WeakPolarHBondContact O-CB 2.77Å; N100-N103 PolarHBondContact O-N 2.85Å; V101-N103 PolarHBondContact O-N 3.17Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 2.79Å; N103-R106 WeakPolarHBondContact O-CB 3.48Å; N103-R106 PolarHBondContact O-N 2.86Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-R106 PolarHBondContact OD1-NH1 3.11Å; N103-R106 PolarHBondContact OD1-NH2 2.91Å; N103-D107 PolarHBondContact O-N 2.84Å |
| 104 | W | 95.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.5 | -42 | 176.3 | -68.4 | 108.5 | 0 | 0 | 0 | 112.5 | V16 G17 D18 I88 N100 V101 L108 | V16-W104 HydrophobicContact CB-CD2 4.43Å; V16-W104 HydrophobicContact CB-CE3 3.83Å; V16-W104 HydrophobicContact CB-CZ3 4.29Å; V16-W104 HydrophobicContact CG2-CB 4.21Å; V16-W104 HydrophobicContact CG2-CE3 4.33Å; G17-W104 VanDerWaalsContact C-CE2 3.43Å; G17-W104 VanDerWaalsContact C-CZ2 3.44Å; G17-W104 WeakPolarHBondContact O-CZ2 3.26Å; D18-W104 PolarHBondContact OD1-NE1 3Å; I88-W104 HydrophobicContact CG2-CB 4.12Å; N100-W104 VanDerWaalsContact O-CD1 3.25Å; N100-W104 PolarHBondContact O-N 2.81Å; V101-W104 PolarHBondContact O-N 3.08Å; W104-L108 WeakPolarHBondContact O-CB 3.31Å; W104-L108 WeakPolarHBondContact O-CG 3.44Å; W104-L108 PolarHBondContact O-N 3.23Å |
| 105 | H | 96.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 69.7 Ų | 69.7 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.1 | 175 | -82.5 | 0 | 0 | 0 | 111.8 | I88 V101 N103 D107 L108 V109 F138 | I88-H105 HydrophobicContact CD1-CB 3.82Å; V101-H105 WeakPolarHBondContact O-CB 3.46Å; V101-H105 PolarHBondContact O-N 3.25Å; N103-H105 VanDerWaalsContact C-N 3.28Å; N103-H105 PolarHBondContact O-N 2.79Å; H105-D107 VanDerWaalsContact C-N 3.29Å; H105-D107 PolarHBondContact O-N 3.46Å; H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 3.02Å; H105-V109 VanDerWaalsContact CE1-CG1 3.46Å; H105-V109 WeakPolarHBondContact CE1-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.17Å; H105-V109 PolarHBondContact O-N 3.43Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.63Å; H105-F138 AromaticContact CD2-CE1 3.94Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.65Å; H105-F138 AromaticContact ND1-CZ 3.96Å |
| 106 | R | 94.5 | Very high | 95.5 | Very high | 111 Ų | 111 | 62.7 Ų | 62.7 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.3 | -45.2 | 178.7 | 178 | -167.1 | 63.3 | -133.1 | -9.8 | 111.2 | P102 N103 V109 R110 | P102-R106 VanDerWaalsContact O-CB 3.27Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 2.88Å; N103-R106 WeakPolarHBondContact O-CB 3.48Å; N103-R106 PolarHBondContact O-N 2.86Å; N103-R106 VanDerWaalsContact O-N 3.16Å; N103-R106 PolarHBondContact OD1-NH1 3.11Å; N103-R106 PolarHBondContact OD1-NH2 2.91Å; R106-V109 WeakPolarHBondContact O-CG2 3.31Å; R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 PolarHBondContact O-N 2.93Å; R106-R110 VanDerWaalsContact O-N 3.09Å |
| 107 | D | 93.8 | Very high | 95.6 | Very high | 29 Ų | 29 | 59 Ų | 59 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.6 | -35.1 | -176.6 | -57.5 | -14.5 | 0 | 0 | 0 | 110.6 | Y80 N103 H105 | Y80-D107 HydrophobicContact CE2-CB 4.25Å; N103-D107 PolarHBondContact O-N 2.84Å; H105-D107 VanDerWaalsContact C-N 3.29Å; H105-D107 PolarHBondContact O-N 3.46Å |
| 108 | L | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -54.2 | 170.5 | -85.5 | 171.5 | 0 | 0 | 0 | 112.9 | V14 V16 Y80 A86 I88 W104 H105 R110 V111 C112 I117 | V14-L108 HydrophobicContact CG2-CD2 3.49Å; V14-L108 VanDerWaalsContact CG2-CD2 3.49Å; V16-L108 HydrophobicContact CG1-CD2 4.48Å; V16-L108 HydrophobicContact CG2-CD1 3.62Å; V16-L108 HydrophobicContact CG2-CG 4.31Å; Y80-L108 HydrophobicContact CD1-CD2 4.05Å; Y80-L108 HydrophobicContact CD2-CD2 3.93Å; Y80-L108 HydrophobicContact CD2-CG 4.4Å; Y80-L108 HydrophobicContact CE1-CD2 4.4Å; Y80-L108 HydrophobicContact CE2-CD2 4.27Å; Y80-L108 HydrophobicContact CE2-CG 4.39Å; Y80-L108 HydrophobicContact CG-CD2 3.84Å; A86-L108 HydrophobicContact CB-CD1 3.76Å; A86-L108 HydrophobicContact CB-CD2 4.12Å; I88-L108 HydrophobicContact CD1-CD1 3.89Å; I88-L108 HydrophobicContact CG1-CD1 3.76Å; W104-L108 WeakPolarHBondContact O-CB 3.31Å; W104-L108 WeakPolarHBondContact O-CG 3.44Å; W104-L108 PolarHBondContact O-N 3.23Å; H105-L108 WeakPolarHBondContact O-CB 3.31Å; H105-L108 PolarHBondContact O-N 3.02Å; L108-R110 PolarHBondContact O-N 3.28Å; L108-V111 PolarHBondContact O-N 2.63Å; L108-C112 PolarHBondContact O-N 3.19Å; L108-I117 HydrophobicContact CD1-CD1 4.43Å |
| 109 | V | 94.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 56.8 Ų | 56.8 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -21.4 | -175.3 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | H105 R106 V111 I117 | H105-V109 VanDerWaalsContact CE1-CG1 3.46Å; H105-V109 WeakPolarHBondContact CE1-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.17Å; H105-V109 PolarHBondContact O-N 3.43Å; R106-V109 WeakPolarHBondContact O-CG2 3.31Å; V109-V111 VanDerWaalsContact C-N 3.25Å; V109-V111 PolarHBondContact O-N 3.06Å; V109-I117 HydrophobicContact CG1-CD1 4.43Å |
| 110 | R | 94.3 | Very high | 95.7 | Very high | 166 Ų | 166 | 48.9 Ų | 48.9 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.5 | -31.8 | 171 | -179.8 | -176.5 | -72 | 170.8 | -3.6 | 112.2 | R106 L108 | R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 PolarHBondContact O-N 2.93Å; R106-R110 VanDerWaalsContact O-N 3.09Å; L108-R110 PolarHBondContact O-N 3.28Å |
| 111 | V | 95.5 | Very high | 95.8 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 32% | 0.315 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -99.4 | -40.3 | -177.9 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | D77 Y80 I81 L108 V109 | D77-V111 HydrophobicContact CB-CG2 3.99Å; Y80-V111 HydrophobicContact CD2-CB 4.47Å; Y80-V111 HydrophobicContact CD2-CG2 4.14Å; I81-V111 HydrophobicContact CG1-CG1 3.95Å; L108-V111 PolarHBondContact O-N 2.63Å; V109-V111 VanDerWaalsContact C-N 3.25Å; V109-V111 PolarHBondContact O-N 3.06Å |
| 112 | C | 94.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.081 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -127.4 | 95 | -178.1 | -65.2 | 0 | 0 | 0 | 0 | 110 | Y80 L108 I115 | Y80-C112 PolarHBondContact O-SG 3.27Å; L108-C112 PolarHBondContact O-N 3.19Å; C112-I115 HydrophobicContact CB-CD1 3.8Å; C112-I115 HydrophobicContact CB-CG1 4.13Å; C112-I115 HydrophobicContact CB-CG2 3.89Å |
| 113 | E | 90.2 | Very high | 95.8 | Very high | 157 Ų | 157 | 46.8 Ų | 46.8 | 73% | 0.734 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 140.2 | 173.2 | -67.6 | -175 | 171.2 | 0 | 0 | 110.8 | I115 | E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.29Å |
| 114 | N | 91 | Very high | 95.9 | Very high | 162 Ų | 162 | 43.7 Ų | 43.7 | 87% | 0.866 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24.1 | 169.8 | -60.3 | -34 | 0 | 0 | 0 | 117.4 | ||
| 115 | I | 96.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -76.4 | 146.7 | 169.6 | 61.5 | 169.7 | 0 | 0 | 0 | 111.3 | A83 A86 C112 E113 I117 | A83-I115 HydrophobicContact CB-CD1 4.31Å; A83-I115 WeakPolarHBondContact O-CG2 3.34Å; A86-I115 HydrophobicContact CB-CD1 3.99Å; C112-I115 HydrophobicContact CB-CD1 3.8Å; C112-I115 HydrophobicContact CB-CG1 4.13Å; C112-I115 HydrophobicContact CB-CG2 3.89Å; E113-I115 VanDerWaalsContact C-N 3.31Å; E113-I115 PolarHBondContact O-N 3.29Å; I115-I117 HydrophobicContact CD1-CG1 4.49Å; I115-I117 HydrophobicContact CG1-CD1 4.34Å; I115-I117 HydrophobicContact CG1-CG1 4.03Å; I115-I117 WeakPolarHBondContact O-CG1 3.46Å; I115-I117 PolarHBondContact O-N 3Å | ||
| 116 | P | 97.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | trans | -63.5 | 127.6 | 170 | 24.7 | -33.7 | 0 | 0 | 0 | 110.7 | Q84 C85 A86 W163 L164 K167 L168 | Q84-P116 WeakPolarHBondContact O-CD 3.49Å; C85-P116 WeakPolarHBondContact CA-O 3.41Å; C85-P116 HydrophobicContact CB-CG 3.99Å; C85-P116 WeakPolarHBondContact CB-O 3.47Å; A86-P116 PolarHBondContact N-O 3.32Å; P116-W163 HydrophobicContact CB-CH2 4.15Å; P116-W163 HydrophobicContact CB-CZ3 3.76Å; P116-L164 HydrophobicContact CB-CD2 3.95Å; P116-L164 HydrophobicContact CG-CD2 4.28Å; P116-K167 HydrophobicContact CB-CB 4.07Å; P116-K167 HydrophobicContact CG-CB 4.43Å; P116-L168 HydrophobicContact CG-CD2 3.79Å; P116-L168 HydrophobicContact CG-CG 4.1Å | ||
| 117 | I | 98.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134 | 179.9 | -50.9 | 178.8 | 0 | 0 | 0 | 109.8 | A86 I88 L108 V109 I115 L144 Q145 | A86-I117 HydrophobicContact CB-CG1 4.1Å; A86-I117 HydrophobicContact CB-CG2 4.21Å; A86-I117 WeakPolarHBondContact O-CA 3.49Å; I88-I117 HydrophobicContact CD1-CG2 3.84Å; I88-I117 HydrophobicContact CG1-CG2 3.79Å; L108-I117 HydrophobicContact CD1-CD1 4.43Å; V109-I117 HydrophobicContact CG1-CD1 4.43Å; I115-I117 HydrophobicContact CD1-CG1 4.49Å; I115-I117 HydrophobicContact CG1-CD1 4.34Å; I115-I117 HydrophobicContact CG1-CG1 4.03Å; I115-I117 WeakPolarHBondContact O-CG1 3.46Å; I115-I117 PolarHBondContact O-N 3Å; I117-L144 HydrophobicContact CB-CD2 3.95Å; I117-L144 HydrophobicContact CD1-CD2 4.46Å; I117-L144 HydrophobicContact CG2-CD1 4.34Å; I117-Q145 PolarHBondContact O-N 2.71Å |
| 118 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.7 | 169.8 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A86 I87 I88 Q145 Y147 P160 W163 L164 | A86-V118 PolarHBondContact O-N 3Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 WeakPolarHBondContact CA-O 3.49Å; I87-V118 HydrophobicContact CG1-CB 4.4Å; I88-V118 PolarHBondContact N-O 3.13Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.48Å; V118-Q145 HydrophobicContact CG2-CB 4.31Å; V118-Y147 HydrophobicContact CG1-CD2 3.78Å; V118-Y147 HydrophobicContact CG1-CE2 4.31Å; V118-P160 HydrophobicContact CB-CB 4.42Å; V118-P160 HydrophobicContact CG1-CB 3.96Å; V118-P160 HydrophobicContact CG1-CG 4.35Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.39Å; V118-W163 HydrophobicContact CG2-CZ3 3.81Å; V118-L164 HydrophobicContact CG2-CD1 4.21Å; V118-L164 HydrophobicContact CG2-CD2 3.83Å; V118-L164 HydrophobicContact CG2-CG 3.69Å |
| 119 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 122.4 | 170.2 | -178.8 | 64.2 | 0 | 0 | 0 | 109.5 | I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147 | I88-L119 HydrophobicContact CB-CD1 4.05Å; I88-L119 HydrophobicContact CG2-CD1 4.06Å; I88-L119 CarbonylContact O-C 3.57Å; I88-L119 WeakPolarHBondContact O-CA 3.47Å; F90-L119 HydrophobicContact CD1-CD1 3.8Å; F90-L119 HydrophobicContact CD1-CG 4.31Å; F90-L119 HydrophobicContact CE1-CD1 3.96Å; F90-L119 HydrophobicContact CE1-CD2 4.3Å; F90-L119 HydrophobicContact CE1-CG 3.96Å; Y98-L119 HydrophobicContact CE2-CD2 4.31Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.63Å; V101-L119 HydrophobicContact CG1-CD2 4.42Å; V101-L119 HydrophobicContact CG2-CD1 3.93Å; L119-I136 HydrophobicContact CD2-CG2 4.25Å; L119-H139 HydrophobicContact CD2-CB 4.17Å; L119-Q145 PolarHBondContact N-O 2.99Å; L119-Y146 HydrophobicContact CB-CD2 4.09Å; L119-Y146 HydrophobicContact CD2-CD2 3.9Å; L119-Y146 HydrophobicContact CD2-CE2 4.46Å; L119-Y146 HydrophobicContact CG-CD2 3.83Å; L119-Y146 HydrophobicContact CG-CE2 4.3Å; L119-Y146 WeakPolarHBondContact O-CA 3.38Å; L119-Y146 VanDerWaalsContact O-CD2 3.26Å; L119-Y146 WeakPolarHBondContact O-CD2 3.37Å; L119-Y147 PolarHBondContact O-N 3.21Å |
| 120 | C | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.5 | -178.6 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | I87 I88 M89 F90 Y147 I149 P160 | I87-C120 HydrophobicContact CG2-CB 4.35Å; I88-C120 PolarHBondContact O-N 2.92Å; M89-C120 WeakPolarHBondContact CA-O 3.18Å; M89-C120 HydrophobicContact CG-CB 4.4Å; F90-C120 VanDerWaalsContact CD1-O 3.31Å; F90-C120 WeakPolarHBondContact CD1-O 3.32Å; F90-C120 PolarHBondContact N-O 3.42Å; C120-Y147 WeakPolarHBondContact CA-O 3.42Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.19Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å |
| 121 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 101.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F90 Y147 I149 | F90-G121 VanDerWaalsContact CZ-CA 3.44Å; G121-Y147 PolarHBondContact N-O 3.36Å; G121-I149 PolarHBondContact O-N 3.19Å |
| 122 | N | 98.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 164.4 | -177.3 | -169.4 | 28.1 | 0 | 0 | 0 | 112.5 | T21 M89 F90 V92 I149 A151 | T21-N122 PolarHBondContact O-ND2 2.82Å; M89-N122 HydrophobicContact CG-CB 4Å; M89-N122 HydrophobicContact SD-CB 3.91Å; F90-N122 PolarHBondContact O-N 2.95Å; V92-N122 WeakPolarHBondContact CG1-O 3.26Å; V92-N122 WeakPolarHBondContact CG2-O 3.43Å; V92-N122 PolarHBondContact N-O 3.14Å; N122-I149 CarbonylContact C-O 3.54Å; N122-I149 WeakPolarHBondContact CA-O 3.36Å; N122-I149 HydrophobicContact CB-CD1 4.26Å; N122-I149 HydrophobicContact CB-CG1 3.97Å; N122-I149 PolarHBondContact OD1-O 3.46Å; N122-A151 PolarHBondContact OD1-N 2.93Å; N122-A151 VanDerWaalsContact OD1-N 3.17Å |
| 123 | K | 96.6 | Very high | 95.1 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | 70.6 | 33.5 | 176.5 | -45.3 | -170.2 | -166.3 | 166.4 | 0 | 114.6 | G20 D91 D125 I126 I149 | G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 3.04Å; D91-K123 WeakPolarHBondContact OD2-CD 3.44Å; D91-K123 VanDerWaalsContact OD2-CE 3.23Å; D91-K123 WeakPolarHBondContact OD2-CE 3.45Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 2.68Å; K123-D125 WeakPolarHBondContact CA-OD1 3.34Å; K123-D125 PolarHBondContact O-N 2.8Å; K123-I126 HydrophobicContact CB-CD1 3.92Å; K123-I126 HydrophobicContact CB-CG1 4.31Å; K123-I126 HydrophobicContact CD-CD1 4.09Å; K123-I126 WeakPolarHBondContact O-CB 3.3Å; K123-I126 PolarHBondContact O-N 2.91Å; K123-I126 VanDerWaalsContact O-N 3.07Å; K123-I149 PolarHBondContact N-O 2.74Å | ||
| 124 | V | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.5 | 176.4 | -57 | 0 | 0 | 0 | 0 | 114 | V92 I126 D148 I149 Y155 M189 Y197 | V92-V124 HydrophobicContact CG1-CG1 4Å; V92-V124 HydrophobicContact CG2-CG1 4.09Å; V124-I126 PolarHBondContact O-N 2.47Å; V124-D148 HydrophobicContact CG1-CB 3.85Å; V124-I149 WeakPolarHBondContact CG2-O 3.38Å; V124-I149 PolarHBondContact N-O 3.16Å; V124-Y155 HydrophobicContact CG2-CD1 3.7Å; V124-Y155 HydrophobicContact CG2-CE1 4.29Å; V124-M189 HydrophobicContact CG2-CE 4.37Å; V124-Y197 HydrophobicContact CB-CD2 4.41Å; V124-Y197 HydrophobicContact CB-CE2 4Å; V124-Y197 PolarHBondContact O-OH 3.28Å |
| 125 | D | 94.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 17% | 0.171 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.6 | 169.7 | 58.7 | -71.8 | 0 | 0 | 0 | 113.2 | K123 S150 K152 M189 | K123-D125 WeakPolarHBondContact CA-OD1 3.34Å; K123-D125 PolarHBondContact O-N 2.8Å; D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.48Å; D125-S150 PolarHBondContact OD1-OG 2.94Å; D125-K152 WeakPolarHBondContact OD2-CD 3.38Å; D125-M189 HydrophobicContact CB-SD 4.04Å |
| 126 | I | 94 | Very high | 94.7 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 35% | 0.354 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -86.7 | 121.2 | 177.2 | -56.6 | 178.1 | 0 | 0 | 0 | 109.7 | T93 K123 V124 D128 | T93-I126 HydrophobicContact CG2-CB 3.65Å; T93-I126 HydrophobicContact CG2-CD1 3.88Å; T93-I126 HydrophobicContact CG2-CG1 4.31Å; T93-I126 HydrophobicContact CG2-CG2 3.69Å; K123-I126 HydrophobicContact CB-CD1 3.92Å; K123-I126 HydrophobicContact CB-CG1 4.31Å; K123-I126 HydrophobicContact CD-CD1 4.09Å; K123-I126 WeakPolarHBondContact O-CB 3.3Å; K123-I126 PolarHBondContact O-N 2.91Å; K123-I126 VanDerWaalsContact O-N 3.07Å; V124-I126 PolarHBondContact O-N 2.47Å; I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.97Å |
| 127 | K | 89.1 | Confident | 94.5 | Very high | 191 Ų | 191 | 43.2 Ų | 43.2 | 83% | 0.83 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -58.2 | -36.6 | -177.8 | -71.1 | -174.6 | 177 | -176.8 | 0 | 113.9 | R129 | K127-R129 PolarHBondContact O-N 2.83Š|
| 128 | D | 92.8 | Very high | 94.3 | Very high | 97 Ų | 97 | 44 Ų | 44 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | trans | -79.9 | 57.4 | -176.9 | -170.1 | 27.9 | 0 | 0 | 0 | 112.9 | I126 K130 | I126-D128 VanDerWaalsContact C-N 3.3Å; I126-D128 PolarHBondContact O-N 2.97Å; D128-K130 PolarHBondContact O-N 2.93Å; D128-K130 WeakPolarHBondContact OD1-CE 3.5Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 3.63Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å | ||
| 129 | R | 94.9 | Very high | 94 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | trans | -68.1 | 116.2 | 178.4 | -179.9 | 173.7 | -174.7 | 157.5 | 9.6 | 111.1 | V92 K127 V131 K132 D148 | V92-R129 HydrophobicContact CB-CG 4.08Å; V92-R129 HydrophobicContact CG2-CG 4.08Å; K127-R129 PolarHBondContact O-N 2.83Å; R129-V131 WeakPolarHBondContact CG-O 3Å; R129-V131 PolarHBondContact NE-O 2.7Å; R129-K132 HydrophobicContact CG-CD 4.34Å; R129-K132 WeakPolarHBondContact O-CE 3.2Å; R129-K132 PolarHBondContact O-NZ 3.18Å; R129-D148 IonicContact CZ-OD1 3.39Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.17Å; R129-D148 IonicContact NH1-OD2 3.87Å; R129-D148 PolarHBondContact NH1-OD2 2.86Å; R129-D148 IonicContact NH2-OD1 2.76Å; R129-D148 PolarHBondContact NH2-OD1 3.36Å; R129-D148 IonicContact NH2-OD2 3.3Å; R129-D148 PolarHBondContact NH2-OD2 3.47Å; R129-D148 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 130 | K | 96 | Very high | 93.6 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -91.8 | -25.1 | -179.8 | -60.4 | -67.5 | 154.7 | 78 | 0 | 114.4 | V92 T93 R95 D128 | V92-K130 PolarHBondContact O-N 3.48Å; T93-K130 WeakPolarHBondContact O-CG 3.48Å; R95-K130 HydrophobicContact CG-CB 3.81Å; R95-K130 PolarHBondContact NE-O 2.86Å; D128-K130 PolarHBondContact O-N 2.93Å; D128-K130 WeakPolarHBondContact OD1-CE 3.5Å; D128-K130 IonicContact OD1-NZ 2.7Å; D128-K130 WeakPolarHBondContact OD2-CE 3.14Å; D128-K130 IonicContact OD2-NZ 3.63Å; D128-K130 PolarHBondContact OD2-NZ 2.92Å |
| 131 | V | 95.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -108.6 | 100.6 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | F90 V92 R95 Y98 R129 I136 | F90-V131 HydrophobicContact CE2-CB 4.29Å; F90-V131 HydrophobicContact CE2-CG1 4.02Å; V92-V131 PolarHBondContact O-N 3.29Å; R95-V131 HydrophobicContact CB-CG2 4.49Å; R95-V131 HydrophobicContact CG-CG2 4.19Å; Y98-V131 HydrophobicContact CD1-CG1 3.97Å; Y98-V131 HydrophobicContact CD2-CG1 4.36Å; Y98-V131 HydrophobicContact CG-CG1 3.86Å; R129-V131 WeakPolarHBondContact CG-O 3Å; R129-V131 PolarHBondContact NE-O 2.7Å; V131-I136 HydrophobicContact CG1-CD1 4.01Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å |
| 132 | K | 92 | Very high | 93 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | trans | -81.5 | 152.9 | -177.5 | -61 | -64.5 | -175 | -179.6 | 0 | 110.7 | R129 K134 S135 | R129-K132 HydrophobicContact CG-CD 4.34Å; R129-K132 WeakPolarHBondContact O-CE 3.2Å; R129-K132 PolarHBondContact O-NZ 3.18Å; K132-K134 HydrophobicContact CB-CG 4.1Å; K132-K134 PolarHBondContact O-N 2.96Å; K132-K134 VanDerWaalsContact O-N 3.13Å; K132-S135 PolarHBondContact N-OG 3.22Å; K132-S135 PolarHBondContact O-N 3.43Å; K132-S135 PolarHBondContact O-OG 2.95Å | ||
| 133 | A | 88.8 | Confident | 92.7 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.033 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -46.3 | -46.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S135 I136 D200 L201 A204 | A133-S135 PolarHBondContact O-N 3.29Å; A133-S135 VanDerWaalsContact O-N 3.11Å; A133-I136 WeakPolarHBondContact O-CB 3.45Å; A133-I136 PolarHBondContact O-N 2.87Å; A133-D200 HydrophobicContact CB-CB 3.87Å; A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.13Å; A133-A204 HydrophobicContact CB-CB 4.46Å |
| 134 | K | 87.9 | Confident | 92.6 | Very high | 171 Ų | 171 | 63.5 Ų | 63.5 | 74% | 0.743 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -56.4 | -26.3 | 176.6 | 65.3 | 177.8 | -178.4 | 176.5 | 0 | 115.9 | K132 I136 | K132-K134 HydrophobicContact CB-CG 4.1Å; K132-K134 PolarHBondContact O-N 2.96Å; K132-K134 VanDerWaalsContact O-N 3.13Å; K134-I136 VanDerWaalsContact C-N 3.34Å |
| 135 | S | 90.9 | Very high | 92.6 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 39% | 0.385 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -84.2 | -11.3 | 177 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | Y98 K132 A133 V137 | Y98-S135 WeakPolarHBondContact CE1-O 3.05Å; K132-S135 PolarHBondContact N-OG 3.22Å; K132-S135 PolarHBondContact O-N 3.43Å; K132-S135 PolarHBondContact O-OG 2.95Å; A133-S135 PolarHBondContact O-N 3.29Å; A133-S135 VanDerWaalsContact O-N 3.11Å; S135-V137 PolarHBondContact O-N 2.85Å; S135-V137 VanDerWaalsContact O-N 3.14Å |
| 136 | I | 92.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | trans | -92 | 75.4 | -172.6 | -55.3 | 169.8 | 0 | 0 | 0 | 109.2 | F90 Y98 L119 V131 A133 K134 H139 Y146 | F90-I136 HydrophobicContact CE2-CD1 4.45Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.35Å; Y98-I136 HydrophobicContact CE2-CB 4.4Å; Y98-I136 HydrophobicContact CE2-CG1 4.3Å; Y98-I136 HydrophobicContact CE2-CG2 3.84Å; Y98-I136 VanDerWaalsContact OH-CA 3.26Å; Y98-I136 WeakPolarHBondContact OH-CA 3.43Å; L119-I136 HydrophobicContact CD2-CG2 4.25Å; V131-I136 HydrophobicContact CG1-CD1 4.01Å; V131-I136 HydrophobicContact CG1-CG1 3.67Å; A133-I136 WeakPolarHBondContact O-CB 3.45Å; A133-I136 PolarHBondContact O-N 2.87Å; K134-I136 VanDerWaalsContact C-N 3.34Å; I136-H139 PolarHBondContact O-CE1 2.95Å; I136-H139 PolarHBondContact O-ND1 2.79Å; I136-Y146 HydrophobicContact CD1-CE1 4.25Å; I136-Y146 HydrophobicContact CD1-CE2 4.09Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.13Å; I136-Y146 HydrophobicContact CG2-CD2 3.76Å; I136-Y146 HydrophobicContact CG2-CE2 3.64Å; I136-Y146 HydrophobicContact CG2-CG 4.21Å | ||
| 137 | V | 93.6 | Very high | 92.9 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | trans | -99.5 | -14.3 | -176.6 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | Y98 S135 H139 R140 K141 L209 | Y98-V137 PolarHBondContact OH-N 3.37Å; S135-V137 PolarHBondContact O-N 2.85Å; S135-V137 VanDerWaalsContact O-N 3.14Å; V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 PolarHBondContact O-N 2.97Å; V137-R140 PolarHBondContact O-N 3.12Å; V137-K141 PolarHBondContact O-N 3.41Å; V137-L209 HydrophobicContact CB-CD2 3.81Å; V137-L209 HydrophobicContact CG1-CD2 4.14Å | ||
| 138 | F | 93.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -38 | -173.6 | -171.2 | -99.8 | 0 | 0 | 0 | 113.8 | Y98 V101 P102 H105 R140 K141 K142 L144 | Y98-F138 VanDerWaalsContact OH-CB 3.28Å; Y98-F138 WeakPolarHBondContact OH-CB 3.05Å; Y98-F138 PolarHBondContact OH-N 2.97Å; Y98-F138 VanDerWaalsContact OH-N 3.17Å; V101-F138 HydrophobicContact CG1-CD1 3.51Å; V101-F138 HydrophobicContact CG1-CE1 3.75Å; V101-F138 HydrophobicContact CG1-CG 4.13Å; P102-F138 HydrophobicContact CB-CD2 4.45Å; P102-F138 HydrophobicContact CB-CE2 3.73Å; P102-F138 HydrophobicContact CB-CZ 4.17Å; P102-F138 HydrophobicContact CG-CD2 3.89Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.37Å; H105-F138 HydrophobicContact CB-CE1 3.67Å; H105-F138 HydrophobicContact CB-CZ 3.63Å; H105-F138 AromaticContact CD2-CE1 3.94Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.65Å; H105-F138 AromaticContact ND1-CZ 3.96Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.27Å; F138-K141 PolarHBondContact O-N 3.43Å; F138-K142 HydrophobicContact CE1-CB 4.38Å; F138-K142 HydrophobicContact CE1-CG 3.97Å; F138-K142 HydrophobicContact CE2-CG 3.95Å; F138-K142 HydrophobicContact CZ-CG 3.63Å; F138-K142 PolarHBondContact O-N 3.4Å; F138-L144 HydrophobicContact CD1-CD1 4.08Å; F138-L144 HydrophobicContact CE1-CD1 3.92Å |
| 139 | H | 91.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.065 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | 179.2 | 71.6 | -80.2 | 0 | 0 | 0 | 112.3 | L119 I136 V137 N143 L144 | L119-H139 HydrophobicContact CD2-CB 4.17Å; I136-H139 PolarHBondContact O-CE1 2.95Å; I136-H139 PolarHBondContact O-ND1 2.79Å; V137-H139 VanDerWaalsContact C-N 3.27Å; V137-H139 PolarHBondContact O-N 2.97Å; H139-N143 CarbonylContact O-C 3.52Å; H139-N143 WeakPolarHBondContact O-CA 3.31Å; H139-N143 PolarHBondContact O-N 3.42Å; H139-L144 HydrophobicContact CB-CB 4.09Å; H139-L144 WeakPolarHBondContact CB-O 3.38Å; H139-L144 PolarHBondContact O-N 3.43Å |
| 140 | R | 91.5 | Very high | 93.6 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.8 | -42.9 | 174.9 | -67.1 | 174 | 65.2 | -159.9 | -2.9 | 111.7 | V137 F138 K142 N143 A204 Q205 T207 L209 | V137-R140 PolarHBondContact O-N 3.12Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.27Å; R140-K142 PolarHBondContact O-N 2.88Å; R140-N143 PolarHBondContact O-N 3.34Å; R140-A204 PolarHBondContact NH1-O 3.22Å; R140-Q205 PolarHBondContact NE-O 3.45Å; R140-Q205 PolarHBondContact NH1-O 3.36Å; R140-Q205 PolarHBondContact NH2-O 3.05Å; R140-T207 VanDerWaalsContact CZ-O 3.22Å; R140-T207 PolarHBondContact NH1-O 2.88Å; R140-T207 PolarHBondContact NH2-O 3.21Å; R140-L209 HydrophobicContact CB-CD1 4.41Å; R140-L209 HydrophobicContact CB-CD2 4.06Å |
| 141 | K | 91.1 | Very high | 93.5 | Very high | 91 Ų | 91 | 45.4 Ų | 45.4 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -30.3 | 177.7 | -68.5 | -167 | 174.7 | -163.6 | 0 | 113.1 | V137 F138 L209 | V137-K141 PolarHBondContact O-N 3.41Å; F138-K141 PolarHBondContact O-N 3.43Å; K141-L209 HydrophobicContact CG-CD1 4.29Å; K141-L209 HydrophobicContact CG-CD2 4.39Å |
| 142 | K | 92.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 48.3 Ų | 48.3 | 49% | 0.491 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -115.3 | 8.8 | -177.4 | -61.9 | -58.6 | -179.2 | -169.1 | 0 | 114.7 | F138 R140 L144 | F138-K142 HydrophobicContact CE1-CB 4.38Å; F138-K142 HydrophobicContact CE1-CG 3.97Å; F138-K142 HydrophobicContact CE2-CG 3.95Å; F138-K142 HydrophobicContact CZ-CG 3.63Å; F138-K142 PolarHBondContact O-N 3.4Å; R140-K142 PolarHBondContact O-N 2.88Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 HydrophobicContact CB-CD1 4.27Å; K142-L144 HydrophobicContact CB-CD2 4.13Å; K142-L144 HydrophobicContact CB-CG 3.91Å; K142-L144 WeakPolarHBondContact O-CD2 3.48Å; K142-L144 PolarHBondContact O-N 2.86Å |
| 143 | N | 91 | Very high | 93.5 | Very high | 151 Ų | 151 | 44.1 Ų | 44.1 | 81% | 0.807 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 44.3 | -178.2 | -165.8 | 32.1 | 0 | 0 | 0 | 114.1 | H139 R140 | H139-N143 CarbonylContact O-C 3.52Å; H139-N143 WeakPolarHBondContact O-CA 3.31Å; H139-N143 PolarHBondContact O-N 3.42Å; R140-N143 PolarHBondContact O-N 3.34Å |
| 144 | L | 95.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | trans | -98.5 | 154.7 | 175.6 | -42.7 | -176 | 0 | 0 | 0 | 110 | I117 F138 H139 K142 | I117-L144 HydrophobicContact CB-CD2 3.95Å; I117-L144 HydrophobicContact CD1-CD2 4.46Å; I117-L144 HydrophobicContact CG2-CD1 4.34Å; F138-L144 HydrophobicContact CD1-CD1 4.08Å; F138-L144 HydrophobicContact CE1-CD1 3.92Å; H139-L144 HydrophobicContact CB-CB 4.09Å; H139-L144 WeakPolarHBondContact CB-O 3.38Å; H139-L144 PolarHBondContact O-N 3.43Å; K142-L144 VanDerWaalsContact C-N 3.35Å; K142-L144 HydrophobicContact CB-CD1 4.27Å; K142-L144 HydrophobicContact CB-CD2 4.13Å; K142-L144 HydrophobicContact CB-CG 3.91Å; K142-L144 WeakPolarHBondContact O-CD2 3.48Å; K142-L144 PolarHBondContact O-N 2.86Å | ||
| 145 | Q | 96.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142.3 | 166.8 | -175.1 | 60.9 | 32 | 0 | 0 | 110.2 | I117 V118 L119 Y147 W163 | I117-Q145 PolarHBondContact O-N 2.71Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.48Å; V118-Q145 HydrophobicContact CG2-CB 4.31Å; L119-Q145 PolarHBondContact N-O 2.99Å; Q145-Y147 HydrophobicContact CG-CD2 4.08Å; Q145-Y147 HydrophobicContact CG-CE2 3.41Å; Q145-Y147 VanDerWaalsContact CG-CE2 3.41Å; Q145-Y147 PolarHBondContact NE2-OH 3.15Å; Q145-W163 HydrophobicContact CB-CD2 3.68Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.02Å; Q145-W163 HydrophobicContact CB-CG 4.17Å; Q145-W163 HydrophobicContact CB-CH2 3.95Å; Q145-W163 HydrophobicContact CB-CZ2 3.6Å; Q145-W163 HydrophobicContact CB-CZ3 4.14Å; Q145-W163 HydrophobicContact CG-CD2 3.89Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Q145-W163 HydrophobicContact CG-CZ2 4.45Å |
| 146 | Y | 97.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.6 | 173.5 | 178.3 | -99.4 | 0 | 0 | 0 | 112.2 | F90 L119 I136 D148 L201 | F90-Y146 AromaticContact CE1-CE2 3.77Å; F90-Y146 HydrophobicContact CE1-CE2 3.77Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å; L119-Y146 HydrophobicContact CB-CD2 4.09Å; L119-Y146 HydrophobicContact CD2-CD2 3.9Å; L119-Y146 HydrophobicContact CD2-CE2 4.46Å; L119-Y146 HydrophobicContact CG-CD2 3.83Å; L119-Y146 HydrophobicContact CG-CE2 4.3Å; L119-Y146 WeakPolarHBondContact O-CA 3.38Å; L119-Y146 VanDerWaalsContact O-CD2 3.26Å; L119-Y146 WeakPolarHBondContact O-CD2 3.37Å; I136-Y146 HydrophobicContact CD1-CE1 4.25Å; I136-Y146 HydrophobicContact CD1-CE2 4.09Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.13Å; I136-Y146 HydrophobicContact CG2-CD2 3.76Å; I136-Y146 HydrophobicContact CG2-CE2 3.64Å; I136-Y146 HydrophobicContact CG2-CG 4.21Å; Y146-D148 PolarHBondContact OH-OD1 3.03Å; Y146-L201 HydrophobicContact CD1-CD1 4.4Å; Y146-L201 HydrophobicContact CD1-CD2 3.58Å; Y146-L201 HydrophobicContact CE1-CD1 4.05Å; Y146-L201 HydrophobicContact CE1-CD2 3.33Å; Y146-L201 HydrophobicContact CE1-CG 4.34Å |
| 147 | Y | 97.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.1 | 166.8 | -66.1 | -62.9 | 0 | 0 | 0 | 112.2 | V118 L119 C120 G121 Q145 K159 P160 W163 | V118-Y147 HydrophobicContact CG1-CD2 3.78Å; V118-Y147 HydrophobicContact CG1-CE2 4.31Å; L119-Y147 PolarHBondContact O-N 3.21Å; C120-Y147 WeakPolarHBondContact CA-O 3.42Å; G121-Y147 PolarHBondContact N-O 3.36Å; Q145-Y147 HydrophobicContact CG-CD2 4.08Å; Q145-Y147 HydrophobicContact CG-CE2 3.41Å; Q145-Y147 VanDerWaalsContact CG-CE2 3.41Å; Q145-Y147 PolarHBondContact NE2-OH 3.15Å; Y147-K159 HydrophobicContact CD1-CB 4.02Å; Y147-K159 HydrophobicContact CD1-CD 3.85Å; Y147-K159 HydrophobicContact CD2-CB 3.97Å; Y147-K159 HydrophobicContact CE1-CB 3.98Å; Y147-K159 HydrophobicContact CE1-CD 3.76Å; Y147-K159 HydrophobicContact CE1-CG 4.45Å; Y147-K159 HydrophobicContact CE2-CB 3.9Å; Y147-K159 HydrophobicContact CG-CB 4.03Å; Y147-P160 HydrophobicContact CD2-CG 4.19Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å |
| 148 | D | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.7 | 156 | -89.3 | -6.3 | 0 | 0 | 0 | 108.7 | V124 R129 Y146 Y155 N156 L201 | V124-D148 HydrophobicContact CG1-CB 3.85Å; R129-D148 IonicContact CZ-OD1 3.39Å; R129-D148 IonicContact CZ-OD2 3.05Å; R129-D148 IonicContact NH1-OD1 3.17Å; R129-D148 IonicContact NH1-OD2 3.87Å; R129-D148 PolarHBondContact NH1-OD2 2.86Å; R129-D148 IonicContact NH2-OD1 2.76Å; R129-D148 PolarHBondContact NH2-OD1 3.36Å; R129-D148 IonicContact NH2-OD2 3.3Å; R129-D148 PolarHBondContact NH2-OD2 3.47Å; R129-D148 VanDerWaalsContact NH2-OD2 3.16Å; Y146-D148 PolarHBondContact OH-OD1 3.03Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; D148-N156 WeakPolarHBondContact O-CB 3.39Å; D148-N156 PolarHBondContact O-ND2 2.85Å; D148-L201 HydrophobicContact CB-CD1 4.15Å |
| 149 | I | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -134.9 | 158.8 | 178.5 | 68.5 | 168.9 | 0 | 0 | 0 | 111.3 | F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160 | F26-I149 HydrophobicContact CD2-CD1 3.81Å; F26-I149 HydrophobicContact CE2-CD1 3.74Å; M89-I149 HydrophobicContact CE-CD1 3.8Å; C120-I149 HydrophobicContact CB-CD1 3.78Å; C120-I149 HydrophobicContact CB-CG1 4.19Å; G121-I149 PolarHBondContact O-N 3.19Å; N122-I149 CarbonylContact C-O 3.54Å; N122-I149 WeakPolarHBondContact CA-O 3.36Å; N122-I149 HydrophobicContact CB-CD1 4.26Å; N122-I149 HydrophobicContact CB-CG1 3.97Å; N122-I149 PolarHBondContact OD1-O 3.46Å; K123-I149 PolarHBondContact N-O 2.74Å; V124-I149 WeakPolarHBondContact CG2-O 3.38Å; V124-I149 PolarHBondContact N-O 3.16Å; I149-Y155 WeakPolarHBondContact CA-O 3.09Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; I149-P160 HydrophobicContact CG2-CG 4.26Å | ||
| 150 | S | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 116.6 | 162.4 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | D125 K152 S153 N154 Y155 | D125-S150 VanDerWaalsContact CG-OG 3.24Å; D125-S150 WeakPolarHBondContact OD1-CB 3.48Å; D125-S150 PolarHBondContact OD1-OG 2.94Å; S150-K152 PolarHBondContact O-N 2.96Å; S150-K152 PolarHBondContact OG-N 2.87Å; S150-S153 WeakPolarHBondContact CB-OG 3.35Å; S150-S153 PolarHBondContact OG-N 3.22Å; S150-S153 VanDerWaalsContact OG-N 3.1Å; S150-S153 PolarHBondContact OG-OG 3.1Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 2.76Å; S150-Y155 PolarHBondContact N-O 2.93Å; S150-Y155 PolarHBondContact O-N 2.89Å |
| 151 | A | 93.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T25 F26 R29 F35 N122 F157 | T25-A151 HydrophobicContact CG2-CB 4.37Å; F26-A151 HydrophobicContact CB-CB 4.42Å; R29-A151 WeakPolarHBondContact CD-O 3.44Å; R29-A151 PolarHBondContact NH1-O 2.76Å; F35-A151 VanDerWaalsContact CD2-O 3.29Å; F35-A151 WeakPolarHBondContact CD2-O 3.48Å; N122-A151 PolarHBondContact OD1-N 2.93Å; N122-A151 VanDerWaalsContact OD1-N 3.17Å; A151-F157 HydrophobicContact CB-CE2 4.05Å |
| 152 | K | 93.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -39.1 | 179.7 | -168.1 | 172.7 | -172.7 | 179.4 | 0 | 112.7 | R29 F35 D125 S150 E186 V187 | R29-K152 VanDerWaalsContact NH1-C 3.3Å; R29-K152 PolarHBondContact NH1-O 2.99Å; F35-K152 HydrophobicContact CD2-CB 4.37Å; F35-K152 HydrophobicContact CD2-CG 4.49Å; F35-K152 HydrophobicContact CE1-CD 4.3Å; F35-K152 HydrophobicContact CE1-CG 4.17Å; F35-K152 HydrophobicContact CE2-CB 3.74Å; F35-K152 HydrophobicContact CE2-CG 4.06Å; F35-K152 HydrophobicContact CZ-CB 3.92Å; F35-K152 HydrophobicContact CZ-CD 4.13Å; F35-K152 HydrophobicContact CZ-CG 3.89Å; D125-K152 WeakPolarHBondContact OD2-CD 3.38Å; S150-K152 PolarHBondContact O-N 2.96Å; S150-K152 PolarHBondContact OG-N 2.87Å; K152-E186 HydrophobicContact CG-CB 3.96Å; K152-E186 PolarHBondContact O-N 3.21Å; K152-V187 HydrophobicContact CD-CG2 4.14Å |
| 153 | S | 93.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 1.6 | -177.1 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | S150 Y155 P185 V187 M189 | S150-S153 WeakPolarHBondContact CB-OG 3.35Å; S150-S153 PolarHBondContact OG-N 3.22Å; S150-S153 VanDerWaalsContact OG-N 3.1Å; S150-S153 PolarHBondContact OG-OG 3.1Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 2.97Å; S153-Y155 PolarHBondContact OG-N 3.26Å; S153-P185 WeakPolarHBondContact O-CB 3.48Å; S153-V187 WeakPolarHBondContact CA-O 3.35Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å; S153-M189 WeakPolarHBondContact OG-CG 3.15Å |
| 154 | N | 92.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 22.8 Ų | 22.8 | 20% | 0.198 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17.1 | -172.1 | -58.3 | -21.3 | 0 | 0 | 0 | 114 | R29 S150 N156 F157 A183 | R29-N154 VanDerWaalsContact CZ-OD1 3.24Å; R29-N154 PolarHBondContact NE-OD1 3.37Å; S150-N154 WeakPolarHBondContact O-CA 3.47Å; S150-N154 PolarHBondContact O-N 2.76Å; N154-N156 PolarHBondContact O-N 2.87Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.45Å; N154-F157 PolarHBondContact O-N 2.87Å; N154-A183 PolarHBondContact ND2-O 2.76Å |
| 155 | Y | 94.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 21.9 Ų | 21.9 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 126.5 | 178.2 | -178.8 | -108.1 | 0 | 0 | 0 | 111.5 | V124 D148 I149 S150 S153 F157 M189 A194 E198 | V124-Y155 HydrophobicContact CG2-CD1 3.7Å; V124-Y155 HydrophobicContact CG2-CE1 4.29Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; I149-Y155 WeakPolarHBondContact CA-O 3.09Å; S150-Y155 PolarHBondContact N-O 2.93Å; S150-Y155 PolarHBondContact O-N 2.89Å; S153-Y155 PolarHBondContact O-N 3.24Å; S153-Y155 WeakPolarHBondContact OG-CB 2.97Å; S153-Y155 PolarHBondContact OG-N 3.26Å; Y155-F157 PolarHBondContact O-N 3.03Å; Y155-M189 HydrophobicContact CG-CG 4.38Å; Y155-A194 HydrophobicContact CD2-CB 4.41Å; Y155-A194 HydrophobicContact CE2-CB 3.82Å; Y155-E198 WeakPolarHBondContact OH-CG 3.35Å; Y155-E198 PolarHBondContact OH-OE1 3Å |
| 156 | N | 94.3 | Very high | 96 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 13% | 0.134 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 24.6 | -177.3 | -71.6 | -24.8 | 0 | 0 | 0 | 114.7 | D148 I149 N154 E158 K159 P160 | D148-N156 WeakPolarHBondContact O-CB 3.39Å; D148-N156 PolarHBondContact O-ND2 2.85Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; N154-N156 PolarHBondContact O-N 2.87Å; N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 PolarHBondContact O-N 3.18Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.94Å; N156-K159 HydrophobicContact CB-CG 4.17Å; N156-K159 PolarHBondContact O-N 3.45Å; N156-K159 VanDerWaalsContact O-N 3.14Å; N156-K159 VanDerWaalsContact OD1-CD 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.31Å; N156-K159 PolarHBondContact OD1-NZ 3.49Å; N156-P160 WeakPolarHBondContact O-CD 3.38Å |
| 157 | F | 92.5 | Very high | 96 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36.7 | -165 | -163.1 | -124.3 | 0 | 0 | 0 | 113.7 | F26 R29 H30 A151 N154 Y155 L182 | F26-F157 AromaticContact CD2-CD2 3.78Å; F26-F157 HydrophobicContact CD2-CD2 3.78Å; F26-F157 AromaticContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CE2 3.37Å; F26-F157 HydrophobicContact CD2-CZ 4.21Å; F26-F157 AromaticContact CE2-CD2 3.71Å; F26-F157 HydrophobicContact CE2-CD2 3.71Å; F26-F157 AromaticContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CE2 3.72Å; F26-F157 HydrophobicContact CE2-CG 4.47Å; F26-F157 WeakPolarHBondContact CE2-O 3.34Å; F26-F157 HydrophobicContact CG-CE2 4.26Å; F26-F157 WeakPolarHBondContact O-CZ 3.43Å; R29-F157 HydrophobicContact CB-CE1 4.38Å; R29-F157 HydrophobicContact CB-CE2 4.48Å; R29-F157 HydrophobicContact CB-CZ 3.66Å; R29-F157 HydrophobicContact CG-CE1 4.06Å; R29-F157 HydrophobicContact CG-CZ 3.69Å; H30-F157 HydrophobicContact CB-CE1 4.42Å; H30-F157 AromaticContact CD2-CD1 3.97Å; H30-F157 AromaticContact CD2-CE1 3.67Å; H30-F157 AromaticContact CE1-CD1 3.2Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.48Å; H30-F157 AromaticContact CE1-CD2 3.75Å; H30-F157 AromaticContact CE1-CE1 3Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.3Å; H30-F157 AromaticContact CE1-CE2 3.54Å; H30-F157 AromaticContact CE1-CG 3.57Å; H30-F157 AromaticContact CE1-CZ 3.14Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.33Å; H30-F157 PolarHBondContact CE1-O 3.5Å; H30-F157 AromaticContact CG-CE1 3.53Å; H30-F157 AromaticContact CG-CZ 3.86Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.13Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.33Å; H30-F157 AromaticContact ND1-CE2 3.78Å; H30-F157 AromaticContact ND1-CZ 3.05Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.43Å; H30-F157 AromaticContact NE2-CD1 3.3Å; H30-F157 VanDerWaalsContact NE2-CD1 3.3Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.48Å; H30-F157 AromaticContact NE2-CE1 3.38Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.33Å; H30-F157 AromaticContact NE2-CG 3.91Å; H30-F157 AromaticContact NE2-CZ 4Å; H30-F157 PolarHBondContact NE2-O 3.37Å; A151-F157 HydrophobicContact CB-CE2 4.05Å; N154-F157 HydrophobicContact CB-CB 4.41Å; N154-F157 WeakPolarHBondContact O-CB 3.45Å; N154-F157 PolarHBondContact O-N 2.87Å; Y155-F157 PolarHBondContact O-N 3.03Å; F157-L182 HydrophobicContact CD1-CD1 3.57Å; F157-L182 HydrophobicContact CD1-CD2 4.31Å; F157-L182 HydrophobicContact CE1-CD1 3.9Å; F157-L182 HydrophobicContact CE1-CD2 3.78Å |
| 158 | E | 94.1 | Very high | 95.9 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -14.4 | -178.2 | -58.3 | -167.6 | 107.4 | 0 | 0 | 114.4 | N156 P160 F161 L162 F176 P180 | N156-E158 VanDerWaalsContact C-N 3.28Å; N156-E158 PolarHBondContact O-N 3.18Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 VanDerWaalsContact C-N 3.32Å; E158-F161 PolarHBondContact O-N 2.84Å; E158-F161 VanDerWaalsContact O-N 3.08Å; E158-L162 PolarHBondContact O-N 3.32Å; E158-F176 HydrophobicContact CB-CD2 4.21Å; E158-F176 HydrophobicContact CB-CE2 4.1Å; E158-P180 WeakPolarHBondContact OE1-CD 3.35Å; E158-P180 WeakPolarHBondContact OE1-CG 3.44Å |
| 159 | K | 96.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 34% | 0.343 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -54.4 | -40.8 | -175.4 | -71.9 | -165.7 | 176.4 | 165.2 | 0 | 113.1 | Y147 N156 L162 W163 | Y147-K159 HydrophobicContact CD1-CB 4.02Å; Y147-K159 HydrophobicContact CD1-CD 3.85Å; Y147-K159 HydrophobicContact CD2-CB 3.97Å; Y147-K159 HydrophobicContact CE1-CB 3.98Å; Y147-K159 HydrophobicContact CE1-CD 3.76Å; Y147-K159 HydrophobicContact CE1-CG 4.45Å; Y147-K159 HydrophobicContact CE2-CB 3.9Å; Y147-K159 HydrophobicContact CG-CB 4.03Å; N156-K159 HydrophobicContact CB-CB 4.44Å; N156-K159 HydrophobicContact CB-CD 3.94Å; N156-K159 HydrophobicContact CB-CG 4.17Å; N156-K159 PolarHBondContact O-N 3.45Å; N156-K159 VanDerWaalsContact O-N 3.14Å; N156-K159 VanDerWaalsContact OD1-CD 3.31Å; N156-K159 WeakPolarHBondContact OD1-CD 3.29Å; N156-K159 WeakPolarHBondContact OD1-CE 3.31Å; N156-K159 PolarHBondContact OD1-NZ 3.49Å; K159-L162 PolarHBondContact O-N 3.04Å; K159-W163 WeakPolarHBondContact O-CB 3.24Å; K159-W163 PolarHBondContact O-N 3.2Å |
| 160 | P | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 175.2 | -26.4 | 36.4 | 0 | 0 | 0 | 113.1 | F26 I87 V118 C120 Y147 I149 N156 E158 W163 L164 | F26-P160 HydrophobicContact CZ-CG 4.43Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; V118-P160 HydrophobicContact CB-CB 4.42Å; V118-P160 HydrophobicContact CG1-CB 3.96Å; V118-P160 HydrophobicContact CG1-CG 4.35Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å; Y147-P160 HydrophobicContact CD2-CG 4.19Å; I149-P160 HydrophobicContact CG2-CG 4.26Å; N156-P160 WeakPolarHBondContact O-CD 3.38Å; E158-P160 VanDerWaalsContact C-CD 3.44Å; E158-P160 VanDerWaalsContact C-N 3.32Å; P160-W163 PolarHBondContact O-N 3.17Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 VanDerWaalsContact O-CG 3.27Å; P160-L164 WeakPolarHBondContact O-CG 3.12Å; P160-L164 PolarHBondContact O-N 3.16Å |
| 161 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | -178.6 | -65.6 | -76.4 | 0 | 0 | 0 | 112 | L13 F26 H30 L50 F52 F61 V63 I87 E158 L164 A165 F176 | L13-F161 HydrophobicContact CD1-CD1 4.12Å; L13-F161 HydrophobicContact CD1-CE1 3.89Å; F26-F161 HydrophobicContact CE1-CD2 4.47Å; F26-F161 AromaticContact CE1-CE2 3.38Å; F26-F161 HydrophobicContact CE1-CE2 3.38Å; F26-F161 AromaticContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CE1-CZ 3.58Å; F26-F161 HydrophobicContact CZ-CD2 4.17Å; F26-F161 AromaticContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CE2 3.39Å; F26-F161 HydrophobicContact CZ-CZ 4.09Å; H30-F161 AromaticContact CD2-CE2 3.89Å; H30-F161 AromaticContact CE1-CE2 3.45Å; H30-F161 VanDerWaalsContact CE1-CE2 3.45Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.34Å; H30-F161 AromaticContact ND1-CE2 3.8Å; H30-F161 AromaticContact NE2-CD2 3.7Å; H30-F161 AromaticContact NE2-CE2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.42Å; L50-F161 HydrophobicContact CD1-CE1 4.12Å; L50-F161 HydrophobicContact CD1-CZ 3.77Å; F52-F161 HydrophobicContact CE1-CB 4.32Å; F52-F161 HydrophobicContact CE1-CD2 4.33Å; F52-F161 HydrophobicContact CE1-CG 4.35Å; F52-F161 HydrophobicContact CE2-CB 4.05Å; F52-F161 AromaticContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD1 3.73Å; F52-F161 HydrophobicContact CE2-CD2 4.28Å; F52-F161 HydrophobicContact CE2-CE1 4.2Å; F52-F161 AromaticContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CE2-CG 3.76Å; F52-F161 HydrophobicContact CZ-CB 3.89Å; F52-F161 AromaticContact CZ-CD1 3.92Å; F52-F161 HydrophobicContact CZ-CD1 3.92Å; F52-F161 AromaticContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CD2 3.61Å; F52-F161 HydrophobicContact CZ-CE1 4.33Å; F52-F161 HydrophobicContact CZ-CE2 4.05Å; F52-F161 AromaticContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CG 3.53Å; F52-F161 HydrophobicContact CZ-CZ 4.39Å; F61-F161 AromaticContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CD2-CD1 3.81Å; F61-F161 HydrophobicContact CE2-CB 4.34Å; F61-F161 HydrophobicContact CE2-CD1 4.13Å; F61-F161 HydrophobicContact CG-CD1 4.22Å; V63-F161 HydrophobicContact CG2-CE1 4.15Å; I87-F161 HydrophobicContact CD1-CE1 4.4Å; I87-F161 HydrophobicContact CD1-CZ 4.44Å; E158-F161 PolarHBondContact O-N 2.84Å; E158-F161 VanDerWaalsContact O-N 3.08Å; F161-L164 PolarHBondContact O-N 2.62Å; F161-A165 VanDerWaalsContact O-CB 3.3Å; F161-A165 WeakPolarHBondContact O-CB 3.14Å; F161-A165 PolarHBondContact O-N 2.84Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CB-CZ 3.94Å |
| 162 | L | 97.3 | Very high | 96 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 18% | 0.183 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 178.1 | -178.4 | 60 | 0 | 0 | 0 | 111.6 | E158 K159 A165 R166 L174 F176 | E158-L162 PolarHBondContact O-N 3.32Å; K159-L162 PolarHBondContact O-N 3.04Å; L162-A165 PolarHBondContact O-N 3.42Å; L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.19Å; L162-L174 HydrophobicContact CD1-CD2 3.74Å; L162-L174 WeakPolarHBondContact CD1-O 3.48Å; L162-F176 HydrophobicContact CB-CE2 4.02Å; L162-F176 HydrophobicContact CB-CZ 4.05Å; L162-F176 HydrophobicContact CD1-CD1 4Å; L162-F176 HydrophobicContact CD1-CE1 4Å; L162-F176 HydrophobicContact CD1-CG 4.34Å; L162-F176 HydrophobicContact CD1-CZ 4.31Å |
| 163 | W | 98.1 | Very high | 96.1 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 16% | 0.163 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.9 | -175.4 | 95.9 | 0 | 0 | 0 | 111.7 | P116 V118 Q145 Y147 K159 P160 R166 K167 | P116-W163 HydrophobicContact CB-CH2 4.15Å; P116-W163 HydrophobicContact CB-CZ3 3.76Å; V118-W163 HydrophobicContact CG2-CD2 4.23Å; V118-W163 HydrophobicContact CG2-CE3 3.39Å; V118-W163 HydrophobicContact CG2-CZ3 3.81Å; Q145-W163 HydrophobicContact CB-CD2 3.68Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.02Å; Q145-W163 HydrophobicContact CB-CG 4.17Å; Q145-W163 HydrophobicContact CB-CH2 3.95Å; Q145-W163 HydrophobicContact CB-CZ2 3.6Å; Q145-W163 HydrophobicContact CB-CZ3 4.14Å; Q145-W163 HydrophobicContact CG-CD2 3.89Å; Q145-W163 HydrophobicContact CG-CG 3.82Å; Q145-W163 HydrophobicContact CG-CZ2 4.45Å; Y147-W163 HydrophobicContact CE2-CB 4.07Å; K159-W163 WeakPolarHBondContact O-CB 3.24Å; K159-W163 PolarHBondContact O-N 3.2Å; P160-W163 PolarHBondContact O-N 3.17Å; W163-R166 PolarHBondContact O-N 3.03Å; W163-K167 HydrophobicContact CD2-CG 3.94Å; W163-K167 HydrophobicContact CE3-CG 3.99Å; W163-K167 HydrophobicContact CH2-CD 4.45Å; W163-K167 HydrophobicContact CH2-CG 3.82Å; W163-K167 HydrophobicContact CZ2-CD 4.13Å; W163-K167 HydrophobicContact CZ2-CG 3.74Å; W163-K167 HydrophobicContact CZ3-CG 3.95Å; W163-K167 WeakPolarHBondContact O-CG 3.34Å; W163-K167 PolarHBondContact O-N 3.25Å |
| 164 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 175.7 | -74 | 176.1 | 0 | 0 | 0 | 111.7 | L13 F61 C85 I87 P116 V118 P160 F161 R166 K167 L168 | L13-L164 HydrophobicContact CD1-CD1 3.53Å; L13-L164 HydrophobicContact CG-CD1 4.44Å; F61-L164 HydrophobicContact CE1-CB 4.33Å; F61-L164 HydrophobicContact CZ-CB 4.11Å; C85-L164 HydrophobicContact CB-CD1 4.32Å; C85-L164 HydrophobicContact CB-CD2 3.71Å; C85-L164 HydrophobicContact CB-CG 4.5Å; I87-L164 HydrophobicContact CD1-CD1 4.15Å; I87-L164 HydrophobicContact CG1-CD1 3.86Å; P116-L164 HydrophobicContact CB-CD2 3.95Å; P116-L164 HydrophobicContact CG-CD2 4.28Å; V118-L164 HydrophobicContact CG2-CD1 4.21Å; V118-L164 HydrophobicContact CG2-CD2 3.83Å; V118-L164 HydrophobicContact CG2-CG 3.69Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 VanDerWaalsContact O-CG 3.27Å; P160-L164 WeakPolarHBondContact O-CG 3.12Å; P160-L164 PolarHBondContact O-N 3.16Å; F161-L164 PolarHBondContact O-N 2.62Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-K167 PolarHBondContact O-N 2.73Å; L164-L168 HydrophobicContact CB-CD1 4.47Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.24Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 2.95Å; L164-L168 PolarHBondContact O-N 2.94Å |
| 165 | A | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I59 F61 F161 L162 K167 L168 I169 L174 F176 | I59-A165 HydrophobicContact CD1-CB 4.09Å; F61-A165 HydrophobicContact CE2-CB 4.42Å; F61-A165 HydrophobicContact CZ-CB 4.22Å; F161-A165 VanDerWaalsContact O-CB 3.3Å; F161-A165 WeakPolarHBondContact O-CB 3.14Å; F161-A165 PolarHBondContact O-N 2.84Å; L162-A165 PolarHBondContact O-N 3.42Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.41Å; A165-L168 PolarHBondContact O-N 3.27Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.4Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 2.83Å; A165-L174 HydrophobicContact CB-CD1 4.39Å; A165-L174 HydrophobicContact CB-CD2 3.86Å; A165-F176 HydrophobicContact CB-CE1 4.44Å |
| 166 | R | 97.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 30% | 0.302 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 175.7 | -72.5 | 171.4 | 173.8 | 178.1 | -5.7 | 112.3 | L162 W163 L164 G170 D171 P172 L174 | L162-R166 VanDerWaalsContact O-CG 3.29Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.19Å; W163-R166 PolarHBondContact O-N 3.03Å; L164-R166 PolarHBondContact O-N 2.98Å; R166-G170 WeakPolarHBondContact O-CA 3.15Å; R166-G170 PolarHBondContact O-N 3Å; R166-D171 WeakPolarHBondContact CG-O 3.3Å; R166-D171 PolarHBondContact O-N 3.1Å; R166-P172 PolarHBondContact NE-O 3.05Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 VanDerWaalsContact CZ-O 3.31Å; R166-L174 PolarHBondContact NE-O 3.03Å; R166-L174 PolarHBondContact NH2-O 3.03Å |
| 167 | K | 97.4 | Very high | 96.2 | Very high | 126 Ų | 126 | 50.2 Ų | 50.2 | 55% | 0.548 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 179.2 | -74.4 | -65.2 | -171.3 | 178.7 | 0 | 113.1 | P116 W163 L164 A165 | P116-K167 HydrophobicContact CB-CB 4.07Å; P116-K167 HydrophobicContact CG-CB 4.43Å; W163-K167 HydrophobicContact CD2-CG 3.94Å; W163-K167 HydrophobicContact CE3-CG 3.99Å; W163-K167 HydrophobicContact CH2-CD 4.45Å; W163-K167 HydrophobicContact CH2-CG 3.82Å; W163-K167 HydrophobicContact CZ2-CD 4.13Å; W163-K167 HydrophobicContact CZ2-CG 3.74Å; W163-K167 HydrophobicContact CZ3-CG 3.95Å; W163-K167 WeakPolarHBondContact O-CG 3.34Å; W163-K167 PolarHBondContact O-N 3.25Å; L164-K167 PolarHBondContact O-N 2.73Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 3.41Å |
| 168 | L | 97 | Very high | 95.5 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.7 | -35.2 | -177.5 | -70.3 | 165.6 | 0 | 0 | 0 | 112.6 | F11 F61 Q84 C85 P116 L164 A165 | F11-L168 HydrophobicContact CB-CD1 4.1Å; F11-L168 HydrophobicContact CD1-CB 4.28Å; F11-L168 HydrophobicContact CD1-CD1 3.9Å; F11-L168 HydrophobicContact CD1-CD2 4.18Å; F11-L168 HydrophobicContact CD1-CG 4.35Å; F11-L168 HydrophobicContact CD2-CB 4.48Å; F11-L168 HydrophobicContact CD2-CD1 3.85Å; F11-L168 HydrophobicContact CE1-CB 3.83Å; F11-L168 HydrophobicContact CE1-CD1 4.29Å; F11-L168 HydrophobicContact CE1-CD2 4.29Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 4.02Å; F11-L168 HydrophobicContact CE2-CD1 4.22Å; F11-L168 HydrophobicContact CG-CD1 3.68Å; F11-L168 HydrophobicContact CZ-CB 3.69Å; F11-L168 HydrophobicContact CZ-CD1 4.45Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.24Å; Q84-L168 HydrophobicContact CB-CD2 4.3Å; Q84-L168 WeakPolarHBondContact O-CD2 3.46Å; C85-L168 HydrophobicContact CB-CD1 4.01Å; C85-L168 HydrophobicContact CB-CD2 4.43Å; P116-L168 HydrophobicContact CG-CD2 3.79Å; P116-L168 HydrophobicContact CG-CG 4.1Å; L164-L168 HydrophobicContact CB-CD1 4.47Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.24Å; L164-L168 VanDerWaalsContact O-CG 3.23Å; L164-L168 WeakPolarHBondContact O-CG 2.95Å; L164-L168 PolarHBondContact O-N 2.94Å; A165-L168 PolarHBondContact O-N 3.27Å |
| 169 | I | 96.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 58 Ų | 58 | 35% | 0.349 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -82.7 | -25.6 | 176.6 | -58.6 | -62.7 | 0 | 0 | 0 | 111.6 | V9 F11 I59 A165 D171 L174 | V9-I169 HydrophobicContact CG1-CD1 3.86Å; F11-I169 HydrophobicContact CE2-CD1 3.98Å; F11-I169 HydrophobicContact CZ-CD1 3.8Å; I59-I169 HydrophobicContact CD1-CD1 3.99Å; I59-I169 HydrophobicContact CD1-CG1 3.77Å; A165-I169 VanDerWaalsContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CB 3.4Å; A165-I169 WeakPolarHBondContact O-CG1 3.45Å; A165-I169 PolarHBondContact O-N 2.83Å; I169-D171 HydrophobicContact CG2-CB 4.05Å; I169-L174 HydrophobicContact CB-CD1 4.2Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.31Å |
| 170 | G | 96.7 | Very high | 92.8 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 64% | 0.639 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 22.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R166 | R166-G170 WeakPolarHBondContact O-CA 3.15Å; R166-G170 PolarHBondContact O-N 3Å |
| 171 | D | 96.3 | Very high | 91.5 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 15% | 0.15 | 35% | 0.346 | C | S | . | . | trans | -119.4 | 104.6 | 178.6 | -174 | -6.6 | 0 | 0 | 0 | 110.9 | R56 R166 I169 N173 L174 | R56-D171 IonicContact CZ-OD2 3.16Å; R56-D171 IonicContact NE-OD2 2.8Å; R56-D171 PolarHBondContact NE-OD2 3.28Å; R56-D171 IonicContact NH2-OD1 3.37Å; R56-D171 IonicContact NH2-OD2 3.6Å; R56-D171 PolarHBondContact NH2-OD2 3.3Å; R166-D171 WeakPolarHBondContact CG-O 3.3Å; R166-D171 PolarHBondContact O-N 3.1Å; I169-D171 HydrophobicContact CG2-CB 4.05Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 2.95Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.4Å; D171-L174 PolarHBondContact O-N 3.07Å | ||
| 172 | P | 95.8 | Very high | 90.5 | Very high | 96 Ų | 96 | 62.8 Ų | 62.8 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.8 | 176 | -22.5 | 34 | 0 | 0 | 0 | 114.5 | R166 L174 | R166-P172 PolarHBondContact NE-O 3.05Å; P172-L174 VanDerWaalsContact C-N 3.32Å |
| 173 | N | 96.7 | Very high | 89.8 | Confident | 111 Ų | 111 | 63 Ų | 63 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7.3 | -177.9 | -55 | -53.4 | 0 | 0 | 0 | 112.6 | N55 D171 E175 | N55-N173 PolarHBondContact ND2-O 3.37Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.11Å; D171-N173 WeakPolarHBondContact OD1-CB 3.32Å; D171-N173 PolarHBondContact OD1-N 2.95Å; N173-E175 PolarHBondContact O-N 2.97Å |
| 174 | L | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -64.6 | 132.9 | 172.6 | -175.7 | 152.4 | 0 | 0 | 0 | 109.5 | T54 N55 R56 I59 L162 A165 R166 I169 D171 P172 F176 | T54-L174 HydrophobicContact CG2-CD2 4.07Å; T54-L174 HydrophobicContact CG2-CG 4.48Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; R56-L174 HydrophobicContact CG-CD1 4.37Å; I59-L174 HydrophobicContact CD1-CD1 3.69Å; L162-L174 HydrophobicContact CD1-CD2 3.74Å; L162-L174 WeakPolarHBondContact CD1-O 3.48Å; A165-L174 HydrophobicContact CB-CD1 4.39Å; A165-L174 HydrophobicContact CB-CD2 3.86Å; R166-L174 HydrophobicContact CG-CB 3.97Å; R166-L174 VanDerWaalsContact CZ-O 3.31Å; R166-L174 PolarHBondContact NE-O 3.03Å; R166-L174 PolarHBondContact NH2-O 3.03Å; I169-L174 HydrophobicContact CB-CD1 4.2Å; I169-L174 HydrophobicContact CG1-CD1 3.88Å; I169-L174 HydrophobicContact CG2-CD1 4.31Å; D171-L174 HydrophobicContact CB-CB 4.38Å; D171-L174 WeakPolarHBondContact O-CB 3.4Å; D171-L174 PolarHBondContact O-N 3.07Å; P172-L174 VanDerWaalsContact C-N 3.32Å; L174-F176 HydrophobicContact CD2-CD1 4.39Å; L174-F176 HydrophobicContact CD2-CE1 4.26Å | ||
| 175 | E | 95.3 | Very high | 88.5 | Confident | 112 Ų | 112 | 69 Ų | 69 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | trans | -137.1 | 148.1 | 179 | -67.4 | -175.7 | 170.2 | 0 | 0 | 110.5 | T54 N55 N173 | T54-E175 CarbonylContact C-O 3.55Å; T54-E175 WeakPolarHBondContact CA-O 3.35Å; T54-E175 VanDerWaalsContact CB-O 3.3Å; T54-E175 WeakPolarHBondContact CB-O 3.45Å; N55-E175 PolarHBondContact N-O 3.02Å; N55-E175 PolarHBondContact OD1-N 2.82Å; N55-E175 PolarHBondContact OD1-O 3.44Å; N173-E175 PolarHBondContact O-N 2.97Å | ||
| 176 | F | 93.5 | Very high | 88 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 15% | 0.149 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 127.6 | 170 | -63.5 | -16.5 | 0 | 0 | 0 | 109.1 | F52 H53 T54 E158 F161 L162 A165 L174 | F52-F176 HydrophobicContact CB-CD1 4.1Å; F52-F176 HydrophobicContact CB-CE1 3.74Å; F52-F176 HydrophobicContact CB-CE2 4.4Å; F52-F176 HydrophobicContact CB-CZ 3.9Å; F52-F176 AromaticContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CD2 3.89Å; F52-F176 HydrophobicContact CD1-CE1 4.32Å; F52-F176 AromaticContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CE2 3.44Å; F52-F176 VanDerWaalsContact CD1-CE2 3.44Å; F52-F176 HydrophobicContact CD1-CG 4.49Å; F52-F176 AromaticContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD1-CZ 3.68Å; F52-F176 HydrophobicContact CD2-CZ 4.45Å; F52-F176 AromaticContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CE2 3.88Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.13Å; F52-F176 HydrophobicContact CG-CE2 4.03Å; F52-F176 AromaticContact CG-CZ 3.75Å; F52-F176 HydrophobicContact CG-CZ 3.75Å; H53-F176 WeakPolarHBondContact O-CA 2.9Å; T54-F176 HydrophobicContact CG2-CD1 3.79Å; T54-F176 HydrophobicContact CG2-CE1 4Å; E158-F176 HydrophobicContact CB-CD2 4.21Å; E158-F176 HydrophobicContact CB-CE2 4.1Å; F161-F176 HydrophobicContact CB-CE2 4.15Å; F161-F176 HydrophobicContact CB-CZ 3.94Å; L162-F176 HydrophobicContact CB-CE2 4.02Å; L162-F176 HydrophobicContact CB-CZ 4.05Å; L162-F176 HydrophobicContact CD1-CD1 4Å; L162-F176 HydrophobicContact CD1-CE1 4Å; L162-F176 HydrophobicContact CD1-CG 4.34Å; L162-F176 HydrophobicContact CD1-CZ 4.31Å; A165-F176 HydrophobicContact CB-CE1 4.44Å; L174-F176 HydrophobicContact CD2-CD1 4.39Å; L174-F176 HydrophobicContact CD2-CE1 4.26Å |
| 177 | V | 91.4 | Very high | 87.6 | Confident | 96 Ų | 96 | 71.6 Ų | 71.6 | 58% | 0.582 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -97.3 | -12.5 | -176.5 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | H53 N55 | H53-V177 HydrophobicContact CB-CG2 4Å; H53-V177 WeakPolarHBondContact O-CG2 2.95Å; H53-V177 PolarHBondContact O-N 3.09Å; N55-V177 HydrophobicContact CB-CG1 3.8Å |
| 178 | A | 77.3 | Confident | 87.1 | Confident | 49 Ų | 49 | 71.5 Ų | 71.5 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -134.9 | 130.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | H53 | H53-A178 HydrophobicContact CB-CB 4.32Š|
| 179 | M | 67.9 | Low | 86.6 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 77% | 0.768 | 43% | 0.433 | S | S | * | . | trans | -68.9 | 137.2 | 167.7 | -60.6 | -171.6 | 95.9 | 0 | 0 | 108.1 | A181 | M179-A181 PolarHBondContact O-N 2.76Š| ||
| 180 | P | 66.3 | Low | 86.3 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 21% | 0.208 | 44% | 0.44 | C | S | . | . | trans | -53.3 | 142.3 | 166.2 | -0.7 | 2.5 | 0 | 0 | 0 | 107.9 | F52 E158 L182 | F52-P180 HydrophobicContact CE1-CG 4.32Å; E158-P180 WeakPolarHBondContact OE1-CD 3.35Å; E158-P180 WeakPolarHBondContact OE1-CG 3.44Å; P180-L182 HydrophobicContact CB-CD2 4.17Å; P180-L182 HydrophobicContact CB-CG 4.16Å; P180-L182 HydrophobicContact CG-CG 4.41Å; P180-L182 PolarHBondContact O-N 3.09Å | ||
| 181 | A | 70.1 | Confident | 86 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 86% | 0.86 | 44% | 0.441 | S | S | * | . | trans | -68.3 | 77.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | M179 | M179-A181 PolarHBondContact O-N 2.76Š| ||
| 182 | L | 77.3 | Confident | 85.8 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 139.1 | 178 | -60.2 | 176.6 | 0 | 0 | 0 | 109 | R29 F157 P180 | R29-L182 WeakPolarHBondContact O-CD2 3.1Å; F157-L182 HydrophobicContact CD1-CD1 3.57Å; F157-L182 HydrophobicContact CD1-CD2 4.31Å; F157-L182 HydrophobicContact CE1-CD1 3.9Å; F157-L182 HydrophobicContact CE1-CD2 3.78Å; P180-L182 HydrophobicContact CB-CD2 4.17Å; P180-L182 HydrophobicContact CB-CG 4.16Å; P180-L182 HydrophobicContact CG-CG 4.41Å; P180-L182 PolarHBondContact O-N 3.09Å |
| 183 | A | 82.2 | Confident | 85.5 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 153.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G33 N154 | G33-A183 WeakPolarHBondContact O-CB 3.43Å; G33-A183 PolarHBondContact O-N 3.25Å; N154-A183 PolarHBondContact ND2-O 2.76Å |
| 184 | P | 83.8 | Confident | 85.1 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 71% | 0.714 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 146.7 | 175.2 | -27.6 | 34.9 | 0 | 0 | 0 | 112 | R29 E186 | R29-P184 PolarHBondContact NH2-O 3.43Å; P184-E186 PolarHBondContact O-N 3.12Å |
| 185 | P | 84.9 | Confident | 84.9 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 37% | 0.37 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.2 | 177.8 | 26.4 | -34.8 | 0 | 0 | 0 | 110.6 | S153 V187 | S153-P185 WeakPolarHBondContact O-CB 3.48Å; P185-V187 PolarHBondContact O-N 2.8Å |
| 186 | E | 86.9 | Confident | 84.8 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -73.1 | -23.4 | 176.9 | -71.5 | -145.3 | 147.9 | 0 | 0 | 111.9 | F35 K37 K152 P184 | F35-E186 HydrophobicContact CB-CG 3.91Å; F35-E186 VanDerWaalsContact CD1-CD 3.5Å; F35-E186 HydrophobicContact CD1-CG 4.16Å; F35-E186 VanDerWaalsContact CD1-OE2 3.27Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.47Å; F35-E186 HydrophobicContact CG-CG 4.18Å; K37-E186 WeakPolarHBondContact CE-OE1 3.33Å; K37-E186 WeakPolarHBondContact CE-OE2 3.39Å; K37-E186 IonicContact NZ-OE1 3.11Å; K37-E186 PolarHBondContact NZ-OE1 3.21Å; K37-E186 VanDerWaalsContact NZ-OE1 3.11Å; K37-E186 IonicContact NZ-OE2 3.78Å; K152-E186 HydrophobicContact CG-CB 3.96Å; K152-E186 PolarHBondContact O-N 3.21Å; P184-E186 PolarHBondContact O-N 3.12Å |
| 187 | V | 90 | Very high | 84.6 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 33% | 0.333 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -138.3 | 134.3 | 178.2 | 166.7 | 0 | 0 | 0 | 0 | 107.8 | K152 S153 P185 | K152-V187 HydrophobicContact CD-CG2 4.14Å; S153-V187 WeakPolarHBondContact CA-O 3.35Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å; P185-V187 PolarHBondContact O-N 2.8Å |
| 188 | V | 87 | Confident | 84.6 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 76% | 0.758 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 126.7 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 189 | M | 87.2 | Confident | 85.3 | Confident | 26 Ų | 26 | 71.9 Ų | 71.9 | 13% | 0.128 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 131 | 168.4 | -82.4 | -68.4 | -62.9 | 0 | 0 | 109.8 | V124 D125 S153 Y155 P191 A194 Y197 | V124-M189 HydrophobicContact CG2-CE 4.37Å; D125-M189 HydrophobicContact CB-SD 4.04Å; S153-M189 WeakPolarHBondContact OG-CG 3.15Å; Y155-M189 HydrophobicContact CG-CG 4.38Å; M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.33Å; M189-A194 HydrophobicContact CE-CB 4.38Å; M189-Y197 HydrophobicContact CE-CD2 4.33Å; M189-Y197 HydrophobicContact CE-CE2 4.19Å |
| 190 | D | 89.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 118.8 | 169.1 | 179.2 | -7.2 | 0 | 0 | 0 | 109.3 | A192 L193 A194 | D190-A192 PolarHBondContact O-N 3.27Å; D190-A192 WeakPolarHBondContact OD1-CB 3.23Å; D190-A192 PolarHBondContact OD1-N 3.24Å; D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 3.3Å; D190-L193 VanDerWaalsContact O-N 3.12Å; D190-A194 PolarHBondContact O-N 3.36Å |
| 191 | P | 90 | Very high | 87.5 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57.4 | -35 | -179.9 | -25.1 | 34.8 | 0 | 0 | 0 | 113.5 | M189 A194 A195 | M189-P191 VanDerWaalsContact O-CD 3.3Å; M189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-A194 PolarHBondContact O-N 2.99Å; P191-A195 WeakPolarHBondContact O-CB 3.41Å; P191-A195 PolarHBondContact O-N 2.95Å |
| 192 | A | 92.6 | Very high | 88.5 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D190 Q196 | D190-A192 PolarHBondContact O-N 3.27Å; D190-A192 WeakPolarHBondContact OD1-CB 3.23Å; D190-A192 PolarHBondContact OD1-N 3.24Å; A192-Q196 WeakPolarHBondContact O-CB 3.33Å; A192-Q196 PolarHBondContact O-N 2.99Å |
| 193 | L | 88.8 | Confident | 89.1 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 176.3 | -175 | 62 | 0 | 0 | 0 | 111.8 | D190 Q196 Y197 | D190-L193 HydrophobicContact CB-CB 3.93Å; D190-L193 PolarHBondContact O-N 3.3Å; D190-L193 VanDerWaalsContact O-N 3.12Å; L193-Q196 WeakPolarHBondContact O-CB 3.17Å; L193-Q196 PolarHBondContact O-N 2.88Å; L193-Y197 HydrophobicContact CD1-CE1 3.97Å; L193-Y197 HydrophobicContact CD1-CE2 4.1Å; L193-Y197 HydrophobicContact CD2-CE2 4.02Å; L193-Y197 HydrophobicContact CG-CD2 4.22Å; L193-Y197 HydrophobicContact CG-CE1 4.46Å; L193-Y197 HydrophobicContact CG-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CD2 3.33Å; L193-Y197 PolarHBondContact O-N 2.87Å |
| 194 | A | 89.5 | Confident | 89.4 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y155 M189 D190 P191 Q196 Y197 E198 | Y155-A194 HydrophobicContact CD2-CB 4.41Å; Y155-A194 HydrophobicContact CE2-CB 3.82Å; M189-A194 HydrophobicContact CE-CB 4.38Å; D190-A194 PolarHBondContact O-N 3.36Å; P191-A194 PolarHBondContact O-N 2.99Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.2Å; A194-Y197 PolarHBondContact O-N 2.89Å; A194-E198 PolarHBondContact O-N 3.25Å |
| 195 | A | 91.9 | Very high | 89.4 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P191 E198 H199 | P191-A195 WeakPolarHBondContact O-CB 3.41Å; P191-A195 PolarHBondContact O-N 2.95Å; A195-E198 PolarHBondContact O-N 2.87Å; A195-H199 WeakPolarHBondContact O-CB 3.27Å; A195-H199 PolarHBondContact O-N 2.62Å |
| 196 | Q | 92.1 | Very high | 89.5 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 49% | 0.491 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 174.5 | -176.4 | 178.4 | 18.6 | 0 | 0 | 111.9 | A192 L193 A194 E198 H199 D200 | A192-Q196 WeakPolarHBondContact O-CB 3.33Å; A192-Q196 PolarHBondContact O-N 2.99Å; L193-Q196 WeakPolarHBondContact O-CB 3.17Å; L193-Q196 PolarHBondContact O-N 2.88Å; A194-Q196 VanDerWaalsContact C-N 3.31Å; A194-Q196 PolarHBondContact O-N 3.2Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.28Å; Q196-H199 PolarHBondContact O-N 3.09Å; Q196-D200 WeakPolarHBondContact O-CB 3.5Å; Q196-D200 VanDerWaalsContact O-CG 3.31Å; Q196-D200 PolarHBondContact O-N 2.69Å |
| 197 | Y | 90.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 5% | 0.051 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 177.3 | -69.2 | -32.2 | 0 | 0 | 0 | 112.6 | V124 M189 L193 A194 D200 L201 | V124-Y197 HydrophobicContact CB-CD2 4.41Å; V124-Y197 HydrophobicContact CB-CE2 4Å; V124-Y197 PolarHBondContact O-OH 3.28Å; M189-Y197 HydrophobicContact CE-CD2 4.33Å; M189-Y197 HydrophobicContact CE-CE2 4.19Å; L193-Y197 HydrophobicContact CD1-CE1 3.97Å; L193-Y197 HydrophobicContact CD1-CE2 4.1Å; L193-Y197 HydrophobicContact CD2-CE2 4.02Å; L193-Y197 HydrophobicContact CG-CD2 4.22Å; L193-Y197 HydrophobicContact CG-CE1 4.46Å; L193-Y197 HydrophobicContact CG-CE2 3.68Å; L193-Y197 WeakPolarHBondContact O-CD2 3.33Å; L193-Y197 PolarHBondContact O-N 2.87Å; A194-Y197 PolarHBondContact O-N 2.89Å; Y197-D200 PolarHBondContact O-N 2.79Å; Y197-L201 WeakPolarHBondContact O-CB 3.3Å; Y197-L201 VanDerWaalsContact O-CG 3.26Å; Y197-L201 WeakPolarHBondContact O-CG 3.21Å; Y197-L201 PolarHBondContact O-N 3.37Å |
| 198 | E | 91 | Very high | 89.2 | Confident | 82 Ų | 82 | 70.7 Ų | 70.7 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 174.7 | -72.7 | 175.2 | -176.6 | 0 | 0 | 111.1 | Y155 A194 A195 Q196 D200 L201 E202 | Y155-E198 WeakPolarHBondContact OH-CG 3.35Å; Y155-E198 PolarHBondContact OH-OE1 3Å; A194-E198 PolarHBondContact O-N 3.25Å; A195-E198 PolarHBondContact O-N 2.87Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.28Å; E198-D200 PolarHBondContact O-N 3.32Å; E198-L201 PolarHBondContact O-N 3.45Å; E198-E202 WeakPolarHBondContact O-CG 3.33Å; E198-E202 PolarHBondContact O-N 3.07Å |
| 199 | H | 92.3 | Very high | 89 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 175.8 | -176.7 | 63.4 | 0 | 0 | 0 | 112.5 | A195 Q196 L201 E202 V203 | A195-H199 WeakPolarHBondContact O-CB 3.27Å; A195-H199 PolarHBondContact O-N 2.62Å; Q196-H199 PolarHBondContact O-N 3.09Å; H199-L201 PolarHBondContact O-N 2.82Å; H199-E202 PolarHBondContact O-N 2.58Å; H199-V203 WeakPolarHBondContact O-CG2 3.15Å; H199-V203 PolarHBondContact O-N 2.97Å |
| 200 | D | 91.2 | Very high | 88.6 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -33.2 | 178.1 | -79.1 | -6.1 | 0 | 0 | 0 | 111.7 | A133 Q196 Y197 E198 A204 | A133-D200 HydrophobicContact CB-CB 3.87Å; Q196-D200 WeakPolarHBondContact O-CB 3.5Å; Q196-D200 VanDerWaalsContact O-CG 3.31Å; Q196-D200 PolarHBondContact O-N 2.69Å; Y197-D200 PolarHBondContact O-N 2.79Å; E198-D200 PolarHBondContact O-N 3.32Å; D200-A204 VanDerWaalsContact O-CB 3.29Å; D200-A204 WeakPolarHBondContact O-CB 2.82Å; D200-A204 PolarHBondContact O-N 3.44Å |
| 201 | L | 89.5 | Confident | 87.8 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.8 | -41.8 | 176.1 | -74.6 | 170.5 | 0 | 0 | 0 | 112.8 | A133 Y146 D148 Y197 E198 H199 V203 A204 Q205 | A133-L201 HydrophobicContact CB-CD2 3.74Å; A133-L201 HydrophobicContact CB-CG 4.13Å; Y146-L201 HydrophobicContact CD1-CD1 4.4Å; Y146-L201 HydrophobicContact CD1-CD2 3.58Å; Y146-L201 HydrophobicContact CE1-CD1 4.05Å; Y146-L201 HydrophobicContact CE1-CD2 3.33Å; Y146-L201 HydrophobicContact CE1-CG 4.34Å; D148-L201 HydrophobicContact CB-CD1 4.15Å; Y197-L201 WeakPolarHBondContact O-CB 3.3Å; Y197-L201 VanDerWaalsContact O-CG 3.26Å; Y197-L201 WeakPolarHBondContact O-CG 3.21Å; Y197-L201 PolarHBondContact O-N 3.37Å; E198-L201 PolarHBondContact O-N 3.45Å; H199-L201 PolarHBondContact O-N 2.82Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-A204 PolarHBondContact O-N 3.06Å; L201-Q205 VanDerWaalsContact O-CG 3.3Å; L201-Q205 WeakPolarHBondContact O-CG 3.33Å; L201-Q205 PolarHBondContact O-N 3.48Å |
| 202 | E | 90.8 | Very high | 86.4 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 174.1 | -71.9 | 176.2 | 173.4 | 0 | 0 | 111.4 | E198 H199 Q205 T206 | E198-E202 WeakPolarHBondContact O-CG 3.33Å; E198-E202 PolarHBondContact O-N 3.07Å; H199-E202 PolarHBondContact O-N 2.58Å; E202-Q205 PolarHBondContact O-N 2.81Å; E202-T206 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-OG1 3.39Å |
| 203 | V | 89.8 | Confident | 84.3 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.4 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | H199 L201 Q205 T206 T207 | H199-V203 WeakPolarHBondContact O-CG2 3.15Å; H199-V203 PolarHBondContact O-N 2.97Å; L201-V203 VanDerWaalsContact C-N 3.33Å; V203-Q205 PolarHBondContact O-N 3.05Å; V203-T206 PolarHBondContact O-N 3.29Å; V203-T206 PolarHBondContact O-OG1 3.14Å; V203-T207 PolarHBondContact O-N 2.7Å; V203-T207 PolarHBondContact O-OG1 2.94Å |
| 204 | A | 87.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 85 Ų | 85 | 9% | 0.091 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.7 | -28 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A133 R140 D200 L201 T206 | A133-A204 HydrophobicContact CB-CB 4.46Å; R140-A204 PolarHBondContact NH1-O 3.22Å; D200-A204 VanDerWaalsContact O-CB 3.29Å; D200-A204 WeakPolarHBondContact O-CB 2.82Å; D200-A204 PolarHBondContact O-N 3.44Å; L201-A204 PolarHBondContact O-N 3.06Å; A204-T206 VanDerWaalsContact C-N 3.32Å |
| 205 | Q | 84.9 | Confident | 80 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -29.1 | 175 | -77 | 174.8 | 7.8 | 0 | 0 | 112.7 | R140 L201 E202 V203 | R140-Q205 PolarHBondContact NE-O 3.45Å; R140-Q205 PolarHBondContact NH1-O 3.36Å; R140-Q205 PolarHBondContact NH2-O 3.05Å; L201-Q205 VanDerWaalsContact O-CG 3.3Å; L201-Q205 WeakPolarHBondContact O-CG 3.33Å; L201-Q205 PolarHBondContact O-N 3.48Å; E202-Q205 PolarHBondContact O-N 2.81Å; V203-Q205 PolarHBondContact O-N 3.05Å |
| 206 | T | 86.1 | Confident | 77.3 | Confident | 120 Ų | 120 | 101 Ų | 101 | 74% | 0.736 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -96.8 | -17.7 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | E202 V203 A204 | E202-T206 PolarHBondContact O-N 3.2Å; E202-T206 PolarHBondContact O-OG1 3.39Å; V203-T206 PolarHBondContact O-N 3.29Å; V203-T206 PolarHBondContact O-OG1 3.14Å; A204-T206 VanDerWaalsContact C-N 3.32Å |
| 207 | T | 86.1 | Confident | 76.6 | Confident | 73 Ų | 73 | 100.8 Ų | 100.8 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -60.8 | 146.6 | 174.9 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | R140 V203 | R140-T207 VanDerWaalsContact CZ-O 3.22Å; R140-T207 PolarHBondContact NH1-O 2.88Å; R140-T207 PolarHBondContact NH2-O 3.21Å; V203-T207 PolarHBondContact O-N 2.7Å; V203-T207 PolarHBondContact O-OG1 2.94Å |
| 208 | A | 85 | Confident | 75.8 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 70% | 0.702 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 209 | L | 83.6 | Confident | 75 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 33% | 0.325 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 140.3 | 171 | -69.6 | 173.1 | 0 | 0 | 0 | 108.6 | V137 R140 K141 | V137-L209 HydrophobicContact CB-CD2 3.81Å; V137-L209 HydrophobicContact CG1-CD2 4.14Å; R140-L209 HydrophobicContact CB-CD1 4.41Å; R140-L209 HydrophobicContact CB-CD2 4.06Å; K141-L209 HydrophobicContact CG-CD1 4.29Å; K141-L209 HydrophobicContact CG-CD2 4.39Å |
| 210 | P | 77.3 | Confident | 74 | Confident | 78 Ų | 78 | 106.6 Ų | 106.6 | 51% | 0.506 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 140 | 171.7 | 25.4 | -31.9 | 0 | 0 | 0 | 109.9 | ||
| 211 | D | 73.3 | Confident | 72.9 | Confident | 139 Ų | 139 | 109.6 Ų | 109.6 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 146.7 | 179.4 | -64.1 | -42.1 | 0 | 0 | 0 | 110.7 | D213 | D211-D213 PolarHBondContact O-N 3.34Å; D211-D213 VanDerWaalsContact O-N 3.08Å |
| 212 | E | 59.9 | Low | 71.8 | Confident | 171 Ų | 171 | 115.5 Ų | 115.5 | 80% | 0.799 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -68.7 | -5.7 | -170.6 | -67.6 | -166.3 | 137.4 | 0 | 0 | 114.3 | D214 | E212-D214 PolarHBondContact O-N 3.11Š|
| 213 | D | 49.8 | Very low | 70.5 | Confident | 149 Ų | 149 | 115.1 Ų | 115.1 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -82.5 | -1 | -166.7 | -69.9 | -27.5 | 0 | 0 | 0 | 115.8 | D211 | D211-D213 PolarHBondContact O-N 3.34Å; D211-D213 VanDerWaalsContact O-N 3.08Å |
| 214 | D | 48 | Very low | 69 | Low | 155 Ų | 155 | 118.8 Ų | 118.8 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -93.6 | 1.4 | -176.3 | -94.4 | -16.9 | 0 | 0 | 0 | 115.5 | E212 | E212-D214 PolarHBondContact O-N 3.11Š|
| 215 | D | 38.7 | Very low | 67.4 | Low | 162 Ų | 162 | 127.8 Ų | 127.8 | 87% | 0.866 | 71% | 0.707 | S | S | * | * | trans | -131.6 | 73.6 | 176.3 | -74.6 | -47.4 | 0 | 0 | 0 | 111.8 | ||||
| 216 | L | 36 | Very low | 65.8 | Low | 244 Ų | 244 | 130.7 Ų | 130.7 | 100% | 1.277 | 73% | 0.73 | S | S | * | * | trans | -122.3 | 0 | 157.3 | -94.1 | 168.8 | 0 | 0 | 0 | 110.6 |
Retrieved 216 of 216 residues in 86.8 ms
(Link to these results)