| 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 | 63.3 | Low | 91.8 | Very high | 118 Ų | 118 | 17.1 Ų | 17.1 | 58% | 0.581 | 9% | 0.094 | S | C | * | . | 0 | 155.4 | 0 | -68.9 | -175.9 | -127 | 0 | 0 | 108.7 | Q304 | M1-Q304 HydrophobicContact CE-CB 3.38Å; M1-Q304 HydrophobicContact CE-CG 3.47Å; M1-Q304 VanDerWaalsContact CE-CG 3.47Å; M1-Q304 HydrophobicContact SD-CB 3.89Å; M1-Q304 HydrophobicContact SD-CG 4.23Å; M1-Q304 PolarHBondContact SD-OE1 3.17Å | |||
| 2 | P | 78.1 | Confident | 92.4 | Very high | 18 Ų | 18 | 15.7 Ų | 15.7 | 12% | 0.117 | 9% | 0.086 | C | C | . | . | trans | -58.9 | 159 | 162.7 | -2.3 | 17.6 | 0 | 0 | 0 | 109 | V335 L375 T378 L382 | P2-V335 HydrophobicContact CB-CG2 3.54Å; P2-V335 HydrophobicContact CG-CG2 4.02Å; P2-V335 PolarHBondContact O-N 2.91Å; P2-V335 VanDerWaalsContact O-N 3.08Å; P2-L375 HydrophobicContact CG-CD1 4.12Å; P2-T378 HydrophobicContact CG-CG2 4.38Å; P2-L382 HydrophobicContact CB-CD1 3.34Å; P2-L382 HydrophobicContact CG-CD1 4.27Å | ||
| 3 | S | 87.6 | Confident | 92.8 | Very high | 37 Ų | 37 | 14.5 Ų | 14.5 | 26% | 0.259 | 8% | 0.08 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.2 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | K332 L333 | S3-K332 WeakPolarHBondContact OG-CE 3.49Å; S3-L333 CarbonylContact C-O 3.56Å; S3-L333 WeakPolarHBondContact CA-O 3.42Å; S3-L333 WeakPolarHBondContact CB-O 3.4Å |
| 4 | L | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 146 | 169.9 | -69.5 | 165.3 | 0 | 0 | 0 | 110.1 | D36 L85 L117 K332 L333 V335 L382 | L4-D36 WeakPolarHBondContact CA-OD2 3.36Å; L4-D36 HydrophobicContact CB-CB 4.44Å; L4-D36 HydrophobicContact CD2-CB 3.69Å; L4-L85 HydrophobicContact CD2-CD1 3.97Å; L4-L117 HydrophobicContact CD1-CD2 3.65Å; L4-L117 HydrophobicContact CD1-CG 3.95Å; L4-L117 HydrophobicContact CD2-CD2 4.36Å; L4-K332 CarbonylContact O-C 3.5Å; L4-K332 WeakPolarHBondContact O-CA 3.37Å; L4-L333 PolarHBondContact N-O 2.67Å; L4-L333 PolarHBondContact O-N 2.99Å; L4-V335 HydrophobicContact CB-CG1 4.19Å; L4-V335 HydrophobicContact CD1-CG1 3.54Å; L4-V335 HydrophobicContact CG-CG1 3.54Å; L4-L382 HydrophobicContact CD2-CD2 3.66Å; L4-L382 HydrophobicContact CG-CD2 4.39Å |
| 5 | I | 96 | Very high | 93 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.3 | 168.3 | -55.1 | -60.6 | 0 | 0 | 0 | 108.8 | P33 P35 D36 V37 L311 V330 F331 K332 | I5-P33 HydrophobicContact CD1-CG 4.37Å; I5-P33 HydrophobicContact CG1-CG 3.94Å; I5-P35 HydrophobicContact CG2-CB 4.33Å; I5-D36 PolarHBondContact N-OD2 3.08Å; I5-D36 WeakPolarHBondContact O-CA 3.04Å; I5-D36 WeakPolarHBondContact O-CB 3.23Å; I5-D36 PolarHBondContact O-N 2.71Å; I5-V37 PolarHBondContact O-N 3.23Å; I5-V37 VanDerWaalsContact O-N 3.15Å; I5-L311 HydrophobicContact CD1-CD1 4.07Å; I5-V330 HydrophobicContact CG2-CG1 3.81Å; I5-F331 CarbonylContact C-O 3.57Å; I5-F331 WeakPolarHBondContact CA-O 3.2Å; I5-K332 HydrophobicContact CD1-CB 3.88Å; I5-K332 HydrophobicContact CD1-CG 3.94Å |
| 6 | V | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.2 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | V37 M122 F124 F167 V330 F331 L333 | V6-V37 HydrophobicContact CG1-CB 4.37Å; V6-V37 HydrophobicContact CG1-CG1 4.43Å; V6-V37 HydrophobicContact CG2-CB 4.06Å; V6-V37 HydrophobicContact CG2-CG2 4.36Å; V6-M122 HydrophobicContact CG2-CE 4.43Å; V6-F124 HydrophobicContact CG1-CE1 3.54Å; V6-F124 HydrophobicContact CG1-CZ 3.71Å; V6-F167 HydrophobicContact CG1-CE2 4.16Å; V6-F167 HydrophobicContact CG1-CZ 4.2Å; V6-V330 CarbonylContact O-C 3.58Å; V6-V330 WeakPolarHBondContact O-CA 3.46Å; V6-F331 HydrophobicContact CB-CB 4.48Å; V6-F331 PolarHBondContact N-O 2.72Å; V6-F331 PolarHBondContact O-N 3.01Å; V6-L333 HydrophobicContact CB-CD1 4.16Å; V6-L333 HydrophobicContact CB-CG 4.5Å; V6-L333 HydrophobicContact CG2-CD1 3.32Å; V6-L333 HydrophobicContact CG2-CG 3.92Å |
| 7 | H | 98.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.1 | 176.3 | -175.9 | 104 | 0 | 0 | 0 | 109.4 | L26 P35 V37 I38 S39 V330 | H7-L26 PolarHBondContact NE2-O 2.91Å; H7-P35 HydrophobicContact CB-CB 3.65Å; H7-P35 HydrophobicContact CB-CG 3.57Å; H7-V37 PolarHBondContact N-O 2.91Å; H7-I38 HydrophobicContact CB-CG1 4.21Å; H7-I38 CarbonylContact O-C 3.58Å; H7-I38 WeakPolarHBondContact O-CA 3.2Å; H7-S39 PolarHBondContact O-N 3.12Å; H7-V330 WeakPolarHBondContact ND1-CG2 3.42Å |
| 8 | C | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 132.6 | 176.8 | -69 | 0 | 0 | 0 | 0 | 108.7 | M169 I250 I328 A329 F331 | C8-M169 HydrophobicContact CB-CG 4.4Å; C8-M169 HydrophobicContact CB-SD 3.5Å; C8-M169 VanDerWaalsContact CB-SD 3.5Å; C8-I250 HydrophobicContact CB-CD1 4.06Å; C8-I250 HydrophobicContact CB-CG2 4.17Å; C8-I328 CarbonylContact O-C 3.53Å; C8-I328 VanDerWaalsContact O-CA 3.27Å; C8-I328 WeakPolarHBondContact O-CA 3.38Å; C8-A329 HydrophobicContact CB-CB 4.38Å; C8-A329 PolarHBondContact N-O 2.87Å; C8-A329 PolarHBondContact O-N 2.9Å; C8-F331 HydrophobicContact CB-CE2 4.24Å |
| 9 | C | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.5 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | L26 S39 V40 A41 V327 I328 | C9-L26 WeakPolarHBondContact SG-CD1 3.41Å; C9-L26 VanDerWaalsContact SG-CG 3.56Å; C9-S39 PolarHBondContact N-O 2.83Å; C9-V40 WeakPolarHBondContact O-CA 3.46Å; C9-A41 PolarHBondContact O-N 2.78Å; C9-V327 WeakPolarHBondContact CA-O 3.18Å; C9-I328 HydrophobicContact CB-CG2 4.02Å |
| 10 | T | 98.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.2 | 169.1 | -167.2 | 0 | 0 | 0 | 0 | 112.3 | A41 Q43 G170 D248 I250 P326 V327 | T10-A41 CarbonylContact C-O 3.08Å; T10-A41 WeakPolarHBondContact CA-O 3.08Å; T10-A41 PolarHBondContact OG1-O 3.31Å; T10-Q43 PolarHBondContact OG1-NE2 2.88Å; T10-Q43 PolarHBondContact OG1-OE1 3.48Å; T10-G170 WeakPolarHBondContact OG1-CA 3.25Å; T10-G170 PolarHBondContact OG1-N 2.91Å; T10-D248 HydrophobicContact CG2-CB 4.27Å; T10-I250 HydrophobicContact CG2-CD1 4.3Å; T10-I250 HydrophobicContact CG2-CG1 3.9Å; T10-P326 WeakPolarHBondContact O-CA 3.45Å; T10-V327 HydrophobicContact CG2-CB 3.99Å; T10-V327 PolarHBondContact N-O 3.05Å; T10-V327 PolarHBondContact O-N 3.43Å |
| 11 | W | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 117.7 | 176.2 | -170.2 | 19 | 0 | 0 | 0 | 111.7 | V13 L26 A41 L42 Q43 W51 Y319 T321 H324 P326 | W11-V13 HydrophobicContact CB-CG1 4.49Å; W11-V13 HydrophobicContact CD2-CG1 3.85Å; W11-V13 HydrophobicContact CE3-CG1 3.89Å; W11-V13 HydrophobicContact CG-CG1 4.14Å; W11-V13 HydrophobicContact CZ3-CG1 4.48Å; W11-V13 PolarHBondContact O-N 2.86Å; W11-L26 HydrophobicContact CE3-CD2 4.19Å; W11-L26 HydrophobicContact CZ3-CD2 4.42Å; W11-A41 PolarHBondContact N-O 2.97Å; W11-L42 HydrophobicContact CB-CD2 3.99Å; W11-L42 WeakPolarHBondContact O-CA 3.22Å; W11-Q43 PolarHBondContact O-N 2.9Å; W11-Q43 VanDerWaalsContact O-N 3.15Å; W11-W51 HydrophobicContact CE3-CH2 4.04Å; W11-W51 HydrophobicContact CE3-CZ3 4.5Å; W11-W51 HydrophobicContact CH2-CH2 4.11Å; W11-W51 AromaticContact CZ3-CH2 3.46Å; W11-W51 HydrophobicContact CZ3-CH2 3.46Å; W11-W51 VanDerWaalsContact CZ3-CH2 3.46Å; W11-W51 HydrophobicContact CZ3-CZ2 4.36Å; W11-W51 HydrophobicContact CZ3-CZ3 4.11Å; W11-Y319 HydrophobicContact CH2-CD1 4.23Å; W11-Y319 HydrophobicContact CH2-CG 4.49Å; W11-Y319 HydrophobicContact CZ3-CD1 4.31Å; W11-T321 VanDerWaalsContact CH2-OG1 3.32Å; W11-T321 WeakPolarHBondContact CH2-OG1 3.3Å; W11-T321 WeakPolarHBondContact CZ2-OG1 3.32Å; W11-H324 PolarHBondContact NE1-O 3.15Å; W11-P326 HydrophobicContact CB-CB 4.03Å; W11-P326 HydrophobicContact CB-CG 4.31Å; W11-P326 HydrophobicContact CD2-CB 4.31Å; W11-P326 HydrophobicContact CD2-CG 3.63Å; W11-P326 HydrophobicContact CE3-CG 4.09Å; W11-P326 HydrophobicContact CG-CB 3.96Å; W11-P326 HydrophobicContact CG-CG 3.71Å; W11-P326 HydrophobicContact CZ2-CG 4.4Å |
| 12 | N | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 111.4 | 160.1 | -173.9 | -25.4 | 0 | 0 | 0 | 109 | G14 Q43 E44 D171 D248 S322 H324 | N12-G14 VanDerWaalsContact C-N 3.29Å; N12-G14 PolarHBondContact O-N 3.48Å; N12-G14 PolarHBondContact OD1-N 3.41Å; N12-Q43 CarbonylContact C-O 3.41Å; N12-Q43 WeakPolarHBondContact CA-O 3.18Å; N12-Q43 HydrophobicContact CB-CB 4.07Å; N12-Q43 PolarHBondContact OD1-O 3.27Å; N12-E44 PolarHBondContact ND2-OE1 3.25Å; N12-E44 WeakPolarHBondContact OD1-CB 3.45Å; N12-E44 WeakPolarHBondContact OD1-CG 3.35Å; N12-D171 HydrophobicContact CB-CB 4.22Å; N12-D171 PolarHBondContact ND2-OD2 3.26Å; N12-D248 PolarHBondContact N-OD1 3.45Å; N12-S322 WeakPolarHBondContact O-CB 3.3Å; N12-S322 PolarHBondContact O-OG 2.82Å; N12-H324 HydrophobicContact CB-CB 4.12Å; N12-H324 WeakPolarHBondContact O-CB 3.35Å |
| 13 | V | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | trans | -85 | -2.7 | -174.8 | -59 | 0 | 0 | 0 | 0 | 112.8 | W11 D15 E16 L42 Q43 E44 V45 W51 | W11-V13 HydrophobicContact CB-CG1 4.49Å; W11-V13 HydrophobicContact CD2-CG1 3.85Å; W11-V13 HydrophobicContact CE3-CG1 3.89Å; W11-V13 HydrophobicContact CG-CG1 4.14Å; W11-V13 HydrophobicContact CZ3-CG1 4.48Å; W11-V13 PolarHBondContact O-N 2.86Å; V13-D15 PolarHBondContact O-N 3.19Å; V13-E16 VanDerWaalsContact O-CB 3.25Å; V13-E16 WeakPolarHBondContact O-CB 3.44Å; V13-E16 WeakPolarHBondContact O-CG 3.28Å; V13-E16 PolarHBondContact O-N 2.86Å; V13-L42 HydrophobicContact CG1-CD2 4.09Å; V13-Q43 WeakPolarHBondContact CG2-O 3.17Å; V13-Q43 PolarHBondContact N-O 3.05Å; V13-E44 WeakPolarHBondContact CG2-O 3.47Å; V13-V45 HydrophobicContact CG2-CB 4.48Å; V13-V45 HydrophobicContact CG2-CG2 4.09Å; V13-W51 HydrophobicContact CB-CZ2 3.88Å; V13-W51 HydrophobicContact CG1-CH2 4.03Å; V13-W51 HydrophobicContact CG1-CZ2 3.54Å; V13-W51 HydrophobicContact CG2-CZ2 4.41Å | ||
| 14 | G | 95.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 41.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N12 E16 E44 K230 | N12-G14 VanDerWaalsContact C-N 3.29Å; N12-G14 PolarHBondContact O-N 3.48Å; N12-G14 PolarHBondContact OD1-N 3.41Å; G14-E16 PolarHBondContact O-N 2.75Å; G14-E44 WeakPolarHBondContact CA-OE2 3.27Å; G14-K230 PolarHBondContact O-NZ 3.39Å |
| 15 | D | 93.9 | Very high | 95.4 | Very high | 100 Ų | 100 | 34.1 Ų | 34.1 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 7.8 | -173.5 | -60.9 | -49.2 | 0 | 0 | 0 | 115.3 | V13 E44 C46 | V13-D15 PolarHBondContact O-N 3.19Å; D15-E44 WeakPolarHBondContact CA-O 3.45Å; D15-E44 PolarHBondContact N-O 3.32Å; D15-C46 HydrophobicContact CB-CB 4.35Å; D15-C46 WeakPolarHBondContact O-CB 3.43Å |
| 16 | E | 95 | Very high | 95.5 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 141.2 | 178.9 | -61.3 | -61.9 | 154.2 | 0 | 0 | 112 | V13 G14 W51 K230 | V13-E16 VanDerWaalsContact O-CB 3.25Å; V13-E16 WeakPolarHBondContact O-CB 3.44Å; V13-E16 WeakPolarHBondContact O-CG 3.28Å; V13-E16 PolarHBondContact O-N 2.86Å; G14-E16 PolarHBondContact O-N 2.75Å; E16-W51 PolarHBondContact O-NE1 3.1Å; E16-K230 IonicContact OE1-NZ 3.18Å; E16-K230 PolarHBondContact OE1-NZ 3.04Å |
| 17 | K | 93 | Very high | 95.6 | Very high | 139 Ų | 139 | 33.5 Ų | 33.5 | 60% | 0.604 | 20% | 0.195 | S | C | * | . | P | Polyproline II helix | trans | -76.8 | 154.2 | 166.5 | -70.9 | -175.1 | -179.6 | -177.5 | 0 | 109.5 | G19 | K17-G19 PolarHBondContact O-N 2.96Š|
| 18 | P | 91.9 | Very high | 95.5 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -58.7 | 127.6 | 176.1 | 23.9 | -32.4 | 0 | 0 | 0 | 110.5 | A50 W51 K54 | P18-A50 HydrophobicContact CG-CB 4.16Å; P18-W51 HydrophobicContact CB-CD2 4Å; P18-W51 HydrophobicContact CB-CE3 3.9Å; P18-W51 HydrophobicContact CB-CH2 3.95Å; P18-W51 HydrophobicContact CB-CZ2 4.07Å; P18-W51 HydrophobicContact CB-CZ3 3.88Å; P18-W51 HydrophobicContact CG-CD2 4.14Å; P18-W51 HydrophobicContact CG-CE3 4.42Å; P18-W51 HydrophobicContact CG-CG 4.35Å; P18-K54 HydrophobicContact CB-CB 3.85Å; P18-K54 HydrophobicContact CB-CD 4.1Å; P18-K54 HydrophobicContact CB-CG 3.66Å; P18-K54 HydrophobicContact CG-CB 3.9Å; P18-K54 HydrophobicContact CG-CG 4.26Å |
| 19 | G | 87.4 | Confident | 95.3 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | trans | -80.4 | -161.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K17 E21 K54 | K17-G19 PolarHBondContact O-N 2.96Å; G19-E21 PolarHBondContact N-OE1 3.14Å; G19-E21 PolarHBondContact O-N 2.72Å; G19-K54 WeakPolarHBondContact O-CE 3.49Å; G19-K54 PolarHBondContact O-NZ 2.95Å | ||
| 20 | S | 87.8 | Confident | 95.1 | Very high | 130 Ų | 130 | 39.6 Ų | 39.6 | 91% | 0.909 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -77.4 | 2.3 | 170.5 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 21 | E | 89 | Confident | 94.8 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | trans | -61.4 | 142.6 | -179.9 | 61.4 | -152 | 132.3 | 0 | 0 | 112 | G19 L23 K54 Y319 T321 | G19-E21 PolarHBondContact N-OE1 3.14Å; G19-E21 PolarHBondContact O-N 2.72Å; E21-L23 HydrophobicContact CG-CD2 3.97Å; E21-K54 VanDerWaalsContact O-CE 3.3Å; E21-K54 WeakPolarHBondContact O-CE 3.49Å; E21-K54 PolarHBondContact O-NZ 2.8Å; E21-Y319 HydrophobicContact CG-CD1 4.4Å; E21-Y319 WeakPolarHBondContact OE2-CD1 3.16Å; E21-T321 WeakPolarHBondContact OE1-CG2 3.33Å; E21-T321 PolarHBondContact OE1-OG1 2.97Å | ||
| 22 | D | 95.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 49% | 0.492 | 29% | 0.289 | S | S | . | . | trans | -81.4 | 121.3 | 171.8 | 171.9 | 20.4 | 0 | 0 | 0 | 108.6 | S24 H58 Y319 | D22-S24 VanDerWaalsContact C-N 3.27Å; D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.39Å; D22-S24 PolarHBondContact OD1-N 3.1Å; D22-S24 PolarHBondContact OD1-OG 2.94Å; D22-S24 WeakPolarHBondContact OD2-CB 3.38Å; D22-S24 PolarHBondContact OD2-OG 3.12Å; D22-H58 IonicContact OD1-CD2 3.39Å; D22-H58 IonicContact OD1-NE2 3.35Å; D22-Y319 PolarHBondContact O-OH 2.58Å | ||
| 23 | L | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | trans | -85.1 | 4.6 | -179.1 | -54.7 | -173.1 | 0 | 0 | 0 | 113.3 | E21 S25 L26 L27 W51 K54 L55 H58 Y319 | E21-L23 HydrophobicContact CG-CD2 3.97Å; L23-S25 VanDerWaalsContact C-N 3.32Å; L23-S25 PolarHBondContact O-N 2.91Å; L23-L26 HydrophobicContact CB-CB 4.44Å; L23-L26 HydrophobicContact CB-CD2 4.5Å; L23-L26 HydrophobicContact CD2-CD2 4Å; L23-L26 WeakPolarHBondContact O-CB 3.43Å; L23-L26 PolarHBondContact O-N 3.22Å; L23-L26 VanDerWaalsContact O-N 3.09Å; L23-L27 HydrophobicContact CB-CD1 3.67Å; L23-L27 HydrophobicContact CB-CG 4.08Å; L23-L27 HydrophobicContact CD1-CD1 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.28Å; L23-W51 HydrophobicContact CD1-CZ3 4.35Å; L23-K54 HydrophobicContact CD1-CG 3.65Å; L23-K54 HydrophobicContact CG-CG 4.37Å; L23-L55 HydrophobicContact CD1-CD2 4.03Å; L23-H58 HydrophobicContact CB-CB 4.48Å; L23-H58 PolarHBondContact N-CD2 2.64Å; L23-H58 VanDerWaalsContact N-CD2 3.31Å; L23-H58 PolarHBondContact N-NE2 3.18Å; L23-Y319 HydrophobicContact CD2-CE1 3.98Å | ||
| 24 | S | 97 | Very high | 93.8 | Very high | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | -172.8 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | D22 G28 V29 N30 | D22-S24 VanDerWaalsContact C-N 3.27Å; D22-S24 PolarHBondContact O-N 3.15Å; D22-S24 VanDerWaalsContact OD1-CB 3.22Å; D22-S24 WeakPolarHBondContact OD1-CB 3.39Å; D22-S24 PolarHBondContact OD1-N 3.1Å; D22-S24 PolarHBondContact OD1-OG 2.94Å; D22-S24 WeakPolarHBondContact OD2-CB 3.38Å; D22-S24 PolarHBondContact OD2-OG 3.12Å; S24-G28 PolarHBondContact O-N 3.03Å; S24-V29 PolarHBondContact O-N 3.18Å; S24-N30 WeakPolarHBondContact CB-ND2 3.25Å |
| 25 | S | 96.7 | Very high | 93.9 | Very high | 64 Ų | 64 | 56.6 Ų | 56.6 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.2 | -38.5 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | L23 L27 G28 E318 | L23-S25 VanDerWaalsContact C-N 3.32Å; L23-S25 PolarHBondContact O-N 2.91Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-L27 PolarHBondContact O-N 3.5Å; S25-G28 PolarHBondContact O-N 3.03Å; S25-E318 WeakPolarHBondContact CB-OE1 3.3Å |
| 26 | L | 98.2 | Very high | 94 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -42.2 | 176.7 | -173.7 | 72.1 | 0 | 0 | 0 | 111.5 | H7 C9 W11 L23 L316 Y319 P326 | H7-L26 PolarHBondContact NE2-O 2.91Å; C9-L26 WeakPolarHBondContact SG-CD1 3.41Å; C9-L26 VanDerWaalsContact SG-CG 3.56Å; W11-L26 HydrophobicContact CE3-CD2 4.19Å; W11-L26 HydrophobicContact CZ3-CD2 4.42Å; L23-L26 HydrophobicContact CB-CB 4.44Å; L23-L26 HydrophobicContact CB-CD2 4.5Å; L23-L26 HydrophobicContact CD2-CD2 4Å; L23-L26 WeakPolarHBondContact O-CB 3.43Å; L23-L26 PolarHBondContact O-N 3.22Å; L23-L26 VanDerWaalsContact O-N 3.09Å; L26-L316 HydrophobicContact CB-CD1 4.27Å; L26-L316 HydrophobicContact CD1-CD1 3.87Å; L26-Y319 HydrophobicContact CB-CE1 4.12Å; L26-Y319 HydrophobicContact CB-CE2 4.05Å; L26-Y319 WeakPolarHBondContact CB-OH 3.47Å; L26-Y319 HydrophobicContact CD1-CE2 4.45Å; L26-Y319 PolarHBondContact N-OH 2.83Å; L26-P326 HydrophobicContact CD1-CB 3.36Å; L26-P326 HydrophobicContact CD1-CG 3.7Å |
| 27 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -92.5 | -8.6 | -173.9 | -60.1 | 171.4 | 0 | 0 | 0 | 113.4 | L23 S25 V29 I38 V40 L55 H58 L59 | L23-L27 HydrophobicContact CB-CD1 3.67Å; L23-L27 HydrophobicContact CB-CG 4.08Å; L23-L27 HydrophobicContact CD1-CD1 4.5Å; L23-L27 WeakPolarHBondContact O-CB 3.31Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.29Å; L23-L27 PolarHBondContact O-N 3.28Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-L27 PolarHBondContact O-N 3.5Å; L27-V29 HydrophobicContact CB-CG1 4Å; L27-V29 PolarHBondContact O-N 3.3Å; L27-I38 HydrophobicContact CD2-CG2 4.28Å; L27-I38 WeakPolarHBondContact O-CD1 3.38Å; L27-V40 HydrophobicContact CD2-CG2 3.69Å; L27-L55 HydrophobicContact CD1-CD2 4.3Å; L27-L55 HydrophobicContact CD2-CD2 3.8Å; L27-H58 HydrophobicContact CD1-CB 3.74Å; L27-L59 HydrophobicContact CB-CD2 4.26Å; L27-L59 HydrophobicContact CD1-CD1 4.24Å; L27-L59 HydrophobicContact CD1-CD2 4.1Å; L27-L59 HydrophobicContact CD1-CG 3.9Å; L27-L59 HydrophobicContact CD2-CD1 4.37Å |
| 28 | G | 97.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S24 S25 N30 S31 P35 | S24-G28 PolarHBondContact O-N 3.03Å; S25-G28 PolarHBondContact O-N 3.03Å; G28-N30 PolarHBondContact O-N 3.21Å; G28-S31 VanDerWaalsContact O-CB 3.3Å; G28-S31 WeakPolarHBondContact O-CB 3.14Å; G28-S31 PolarHBondContact O-N 3.45Å; G28-S31 PolarHBondContact O-OG 3.12Å; G28-P35 WeakPolarHBondContact O-CD 3.44Å |
| 29 | V | 95.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.1 | -172.5 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | S24 L27 S31 I38 L59 H62 Y64 | S24-V29 PolarHBondContact O-N 3.18Å; L27-V29 HydrophobicContact CB-CG1 4Å; L27-V29 PolarHBondContact O-N 3.3Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-I38 HydrophobicContact CG1-CD1 4.23Å; V29-L59 HydrophobicContact CG1-CD2 3.63Å; V29-H62 HydrophobicContact CB-CB 4.42Å; V29-H62 HydrophobicContact CG1-CB 4.4Å; V29-Y64 HydrophobicContact CG1-CE2 4.22Å |
| 30 | N | 93.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 60% | 0.604 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -1.1 | 178.6 | -70.3 | -33.6 | 0 | 0 | 0 | 113.9 | S24 G28 | S24-N30 WeakPolarHBondContact CB-ND2 3.25Å; G28-N30 PolarHBondContact O-N 3.21Å |
| 31 | S | 93.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -69.6 | 155.1 | 178 | 63.7 | 0 | 0 | 0 | 0 | 112 | G28 V29 P33 S34 P35 | G28-S31 VanDerWaalsContact O-CB 3.3Å; G28-S31 WeakPolarHBondContact O-CB 3.14Å; G28-S31 PolarHBondContact O-N 3.45Å; G28-S31 PolarHBondContact O-OG 3.12Å; V29-S31 VanDerWaalsContact C-N 3.33Å; S31-P33 CarbonylContact C-O 3.59Å; S31-P33 CarbonylContact O-C 2.86Å; S31-P33 VanDerWaalsContact O-C 3.28Å; S31-P33 PolarHBondContact OG-O 2.86Å; S31-S34 VanDerWaalsContact O-CA 3.27Å; S31-S34 WeakPolarHBondContact O-CA 3.06Å; S31-S34 PolarHBondContact O-N 3.45Å; S31-P35 WeakPolarHBondContact OG-CD 3.26Å |
| 32 | K | 90.5 | Very high | 96.3 | Very high | 207 Ų | 207 | 32.1 Ų | 32.1 | 90% | 0.9 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -127.5 | 113.3 | 178.4 | -68.5 | -173.8 | -178 | 178.3 | 0 | 109.7 | ||
| 33 | P | 89.9 | Confident | 96.4 | Very high | 93 Ų | 93 | 27.8 Ų | 27.8 | 60% | 0.604 | 16% | 0.157 | S | C | * | . | S | Bend | cis | -63.9 | 151.7 | -7.9 | 30.3 | -36.4 | 0 | 0 | 0 | 111.8 | I5 S31 | I5-P33 HydrophobicContact CD1-CG 4.37Å; I5-P33 HydrophobicContact CG1-CG 3.94Å; S31-P33 CarbonylContact C-O 3.59Å; S31-P33 CarbonylContact O-C 2.86Å; S31-P33 VanDerWaalsContact O-C 3.28Å; S31-P33 PolarHBondContact OG-O 2.86Å |
| 34 | S | 93.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 156 | 174 | 59 | 0 | 0 | 0 | 0 | 110.4 | S31 K82 Q386 | S31-S34 VanDerWaalsContact O-CA 3.27Å; S31-S34 WeakPolarHBondContact O-CA 3.06Å; S31-S34 PolarHBondContact O-N 3.45Å; S34-K82 PolarHBondContact O-NZ 3.33Å; S34-K82 VanDerWaalsContact OG-CE 3.28Å; S34-K82 WeakPolarHBondContact OG-CE 3.36Å; S34-K82 PolarHBondContact OG-NZ 2.78Å; S34-Q386 PolarHBondContact OG-OE1 3.05Å; S34-Q386 VanDerWaalsContact OG-OE1 3.06Å |
| 35 | P | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 142.5 | -174.5 | -21.5 | 33.9 | 0 | 0 | 0 | 112.3 | I5 H7 G28 S31 I38 Y64 K82 | I5-P35 HydrophobicContact CG2-CB 4.33Å; H7-P35 HydrophobicContact CB-CB 3.65Å; H7-P35 HydrophobicContact CB-CG 3.57Å; G28-P35 WeakPolarHBondContact O-CD 3.44Å; S31-P35 WeakPolarHBondContact OG-CD 3.26Å; P35-I38 HydrophobicContact CB-CD1 4.3Å; P35-I38 HydrophobicContact CB-CG1 3.71Å; P35-I38 HydrophobicContact CG-CD1 4.32Å; P35-I38 HydrophobicContact CG-CG1 4.1Å; P35-Y64 WeakPolarHBondContact CD-OH 3.32Å; P35-Y64 WeakPolarHBondContact O-CE1 3.43Å; P35-Y64 VanDerWaalsContact O-CZ 3.25Å; P35-Y64 PolarHBondContact O-OH 2.93Å; P35-K82 WeakPolarHBondContact O-CE 3.4Å; P35-K82 PolarHBondContact O-NZ 2.96Å |
| 36 | D | 96.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -80.4 | -36.4 | 172.8 | -62.1 | -49.1 | 0 | 0 | 0 | 111.8 | L4 I5 K82 L85 | L4-D36 WeakPolarHBondContact CA-OD2 3.36Å; L4-D36 HydrophobicContact CB-CB 4.44Å; L4-D36 HydrophobicContact CD2-CB 3.69Å; I5-D36 PolarHBondContact N-OD2 3.08Å; I5-D36 WeakPolarHBondContact O-CA 3.04Å; I5-D36 WeakPolarHBondContact O-CB 3.23Å; I5-D36 PolarHBondContact O-N 2.71Å; D36-K82 PolarHBondContact O-N 3.14Å; D36-K82 IonicContact OD1-NZ 2.74Å; D36-K82 PolarHBondContact OD1-NZ 3.26Å; D36-L85 HydrophobicContact CB-CD1 3.72Å |
| 37 | V | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.4 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | I5 V6 H7 F80 L81 F115 L117 F124 | I5-V37 PolarHBondContact O-N 3.23Å; I5-V37 VanDerWaalsContact O-N 3.15Å; V6-V37 HydrophobicContact CG1-CB 4.37Å; V6-V37 HydrophobicContact CG1-CG1 4.43Å; V6-V37 HydrophobicContact CG2-CB 4.06Å; V6-V37 HydrophobicContact CG2-CG2 4.36Å; H7-V37 PolarHBondContact N-O 2.91Å; V37-F80 WeakPolarHBondContact CA-O 3.24Å; V37-L81 HydrophobicContact CG2-CD1 3.84Å; V37-F115 HydrophobicContact CG1-CZ 3.8Å; V37-F115 HydrophobicContact CG2-CE2 4.43Å; V37-F115 HydrophobicContact CG2-CZ 4.41Å; V37-L117 HydrophobicContact CG2-CD2 3.53Å; V37-F124 HydrophobicContact CG1-CE2 4.24Å; V37-F124 HydrophobicContact CG1-CZ 3.83Å |
| 38 | I | 98.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123 | 171.3 | -59.2 | 170.5 | 0 | 0 | 0 | 107.6 | H7 L27 V29 P35 V40 L59 Y64 F80 | H7-I38 HydrophobicContact CB-CG1 4.21Å; H7-I38 CarbonylContact O-C 3.58Å; H7-I38 WeakPolarHBondContact O-CA 3.2Å; L27-I38 HydrophobicContact CD2-CG2 4.28Å; L27-I38 WeakPolarHBondContact O-CD1 3.38Å; V29-I38 HydrophobicContact CG1-CD1 4.23Å; P35-I38 HydrophobicContact CB-CD1 4.3Å; P35-I38 HydrophobicContact CB-CG1 3.71Å; P35-I38 HydrophobicContact CG-CD1 4.32Å; P35-I38 HydrophobicContact CG-CG1 4.1Å; I38-V40 HydrophobicContact CG2-CG2 4.02Å; I38-L59 HydrophobicContact CD1-CD2 3.51Å; I38-Y64 HydrophobicContact CD1-CD1 3.95Å; I38-Y64 HydrophobicContact CD1-CD2 4.38Å; I38-Y64 HydrophobicContact CD1-CE1 3.52Å; I38-Y64 HydrophobicContact CD1-CE2 4.01Å; I38-Y64 HydrophobicContact CD1-CG 4.37Å; I38-Y64 HydrophobicContact CG1-CD1 4.42Å; I38-Y64 HydrophobicContact CG1-CE1 3.95Å; I38-F80 HydrophobicContact CB-CB 4.32Å; I38-F80 PolarHBondContact N-O 2.73Å; I38-F80 PolarHBondContact O-N 3.23Å |
| 39 | S | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.9 | 175.2 | -158.4 | 0 | 0 | 0 | 0 | 110.1 | H7 C9 I77 F78 S79 F124 | H7-S39 PolarHBondContact O-N 3.12Å; C9-S39 PolarHBondContact N-O 2.83Å; S39-I77 WeakPolarHBondContact OG-CD1 3.32Å; S39-F78 CarbonylContact C-O 3.32Å; S39-F78 WeakPolarHBondContact CA-O 3Å; S39-S79 PolarHBondContact OG-OG 2.59Å; S39-F124 VanDerWaalsContact OG-CB 3.27Å; S39-F124 WeakPolarHBondContact OG-CB 3.28Å; S39-F124 WeakPolarHBondContact OG-CD1 3.29Å; S39-F124 VanDerWaalsContact OG-CG 3.26Å; S39-F124 WeakPolarHBondContact OG-CG 3.26Å |
| 40 | V | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.9 | -173.9 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | C9 L27 I38 L42 L55 I77 F78 | C9-V40 WeakPolarHBondContact O-CA 3.46Å; L27-V40 HydrophobicContact CD2-CG2 3.69Å; I38-V40 HydrophobicContact CG2-CG2 4.02Å; V40-L42 HydrophobicContact CG1-CD2 3.79Å; V40-L42 HydrophobicContact CG1-CG 4Å; V40-L55 HydrophobicContact CG1-CD1 4.37Å; V40-L55 HydrophobicContact CG1-CD2 4.33Å; V40-L55 HydrophobicContact CG2-CD2 4.36Å; V40-I77 WeakPolarHBondContact O-CA 3.24Å; V40-F78 HydrophobicContact CB-CB 4.44Å; V40-F78 PolarHBondContact N-O 3.47Å; V40-F78 PolarHBondContact O-N 2.93Å |
| 41 | A | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C9 T10 W11 Q43 W76 I77 S126 M169 | C9-A41 PolarHBondContact O-N 2.78Å; T10-A41 CarbonylContact C-O 3.08Å; T10-A41 WeakPolarHBondContact CA-O 3.08Å; T10-A41 PolarHBondContact OG1-O 3.31Å; W11-A41 PolarHBondContact N-O 2.97Å; A41-Q43 PolarHBondContact O-NE2 3.28Å; A41-W76 CarbonylContact C-O 3.6Å; A41-W76 WeakPolarHBondContact CA-O 3.46Å; A41-I77 HydrophobicContact CB-CD1 4.18Å; A41-S126 VanDerWaalsContact CB-CB 3.45Å; A41-S126 WeakPolarHBondContact CB-OG 3.42Å; A41-M169 HydrophobicContact CB-CB 3.78Å; A41-M169 HydrophobicContact CB-CE 4.12Å; A41-M169 HydrophobicContact CB-SD 4.33Å |
| 42 | L | 98.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.2 | 177.1 | -55.3 | -179.5 | 0 | 0 | 0 | 110.9 | W11 V13 V40 V45 W51 I75 W76 F78 | W11-L42 HydrophobicContact CB-CD2 3.99Å; W11-L42 WeakPolarHBondContact O-CA 3.22Å; V13-L42 HydrophobicContact CG1-CD2 4.09Å; V40-L42 HydrophobicContact CG1-CD2 3.79Å; V40-L42 HydrophobicContact CG1-CG 4Å; L42-V45 HydrophobicContact CB-CG2 3.38Å; L42-V45 HydrophobicContact CD1-CG2 4.29Å; L42-V45 HydrophobicContact CG-CG2 4.49Å; L42-W51 HydrophobicContact CD1-CB 4.1Å; L42-W51 HydrophobicContact CD1-CD2 3.88Å; L42-W51 HydrophobicContact CD1-CE3 3.92Å; L42-W51 HydrophobicContact CD1-CG 3.98Å; L42-I75 CarbonylContact O-C 3.59Å; L42-I75 WeakPolarHBondContact O-CA 3.36Å; L42-W76 HydrophobicContact CB-CB 4.33Å; L42-W76 PolarHBondContact N-O 2.58Å; L42-W76 PolarHBondContact O-N 3.46Å; L42-F78 HydrophobicContact CD1-CE2 4.12Å |
| 43 | Q | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 154 | 175.3 | -58.8 | 77.3 | 47.5 | 0 | 0 | 110.1 | T10 W11 N12 V13 A41 V45 A74 I75 S126 C127 H128 D171 | T10-Q43 PolarHBondContact OG1-NE2 2.88Å; T10-Q43 PolarHBondContact OG1-OE1 3.48Å; W11-Q43 PolarHBondContact O-N 2.9Å; W11-Q43 VanDerWaalsContact O-N 3.15Å; N12-Q43 CarbonylContact C-O 3.41Å; N12-Q43 WeakPolarHBondContact CA-O 3.18Å; N12-Q43 HydrophobicContact CB-CB 4.07Å; N12-Q43 PolarHBondContact OD1-O 3.27Å; V13-Q43 WeakPolarHBondContact CG2-O 3.17Å; V13-Q43 PolarHBondContact N-O 3.05Å; A41-Q43 PolarHBondContact O-NE2 3.28Å; Q43-V45 PolarHBondContact O-N 2.92Å; Q43-A74 CarbonylContact C-O 3.55Å; Q43-A74 WeakPolarHBondContact CA-O 3.49Å; Q43-I75 HydrophobicContact CG-CG2 4.35Å; Q43-S126 PolarHBondContact NE2-OG 3.18Å; Q43-C127 WeakPolarHBondContact CG-O 3.38Å; Q43-H128 HydrophobicContact CB-CB 4.41Å; Q43-H128 HydrophobicContact CG-CB 3.97Å; Q43-D171 HydrophobicContact CG-CB 4.22Å |
| 44 | E | 95.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 27.5 Ų | 27.5 | 26% | 0.262 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 55.3 | 38.7 | -174.5 | -55.5 | -173.4 | -171.5 | 0 | 0 | 112.5 | N12 V13 G14 D15 C46 A74 H128 | N12-E44 PolarHBondContact ND2-OE1 3.25Å; N12-E44 WeakPolarHBondContact OD1-CB 3.45Å; N12-E44 WeakPolarHBondContact OD1-CG 3.35Å; V13-E44 WeakPolarHBondContact CG2-O 3.47Å; G14-E44 WeakPolarHBondContact CA-OE2 3.27Å; D15-E44 WeakPolarHBondContact CA-O 3.45Å; D15-E44 PolarHBondContact N-O 3.32Å; E44-C46 PolarHBondContact O-N 2.85Å; E44-A74 PolarHBondContact N-O 3.34Å; E44-H128 IonicContact OE1-CE1 3.5Å; E44-H128 PolarHBondContact OE1-CE1 2.81Å; E44-H128 VanDerWaalsContact OE1-CE1 3.32Å; E44-H128 IonicContact OE1-NE2 2.76Å |
| 45 | V | 94.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | trans | -74.7 | 114.7 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | V13 L42 Q43 G47 W51 A74 W76 | V13-V45 HydrophobicContact CG2-CB 4.48Å; V13-V45 HydrophobicContact CG2-CG2 4.09Å; L42-V45 HydrophobicContact CB-CG2 3.38Å; L42-V45 HydrophobicContact CD1-CG2 4.29Å; L42-V45 HydrophobicContact CG-CG2 4.49Å; Q43-V45 PolarHBondContact O-N 2.92Å; V45-G47 WeakPolarHBondContact CG1-O 3.23Å; V45-G47 PolarHBondContact O-N 3.46Å; V45-W51 HydrophobicContact CG1-CB 4.4Å; V45-W51 HydrophobicContact CG1-CG 4.23Å; V45-A74 PolarHBondContact N-O 3.11Å; V45-A74 VanDerWaalsContact N-O 3.11Å; V45-W76 VanDerWaalsContact CB-CD1 3.46Å; V45-W76 HydrophobicContact CB-CG 4.36Å; V45-W76 HydrophobicContact CG2-CB 4.24Å; V45-W76 HydrophobicContact CG2-CG 4.09Å | ||
| 46 | C | 87.5 | Confident | 93.3 | Very high | 64 Ų | 64 | 27.3 Ų | 27.3 | 43% | 0.432 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -84.3 | 96.1 | 173.4 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | D15 E44 | D15-C46 HydrophobicContact CB-CB 4.35Å; D15-C46 WeakPolarHBondContact O-CB 3.43Å; E44-C46 PolarHBondContact O-N 2.85Å |
| 47 | G | 76.8 | Confident | 93.1 | Very high | 49 Ų | 49 | 30.2 Ų | 30.2 | 51% | 0.505 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 70.1 | 148.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V45 | V45-G47 WeakPolarHBondContact CG1-O 3.23Å; V45-G47 PolarHBondContact O-N 3.46Å |
| 48 | D | 71.1 | Confident | 93 | Very high | 63 Ų | 63 | 31.6 Ų | 31.6 | 34% | 0.337 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -101.1 | -39.2 | -161.2 | 57.7 | -14.4 | 0 | 0 | 0 | 115 | A50 W51 R52 W76 | D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 3.21Å; D48-W51 PolarHBondContact O-N 2.9Å; D48-R52 VanDerWaalsContact O-CB 3.3Å; D48-R52 WeakPolarHBondContact O-CB 3.5Å; D48-R52 PolarHBondContact O-N 3.25Å; D48-W76 HydrophobicContact CB-CD2 4.32Å; D48-W76 HydrophobicContact CB-CE3 4.49Å; D48-W76 HydrophobicContact CB-CH2 3.23Å; D48-W76 HydrophobicContact CB-CZ2 2.98Å; D48-W76 HydrophobicContact CB-CZ3 4Å; D48-W76 WeakPolarHBondContact OD2-CH2 3.47Å; D48-W76 WeakPolarHBondContact OD2-CZ2 3.25Å |
| 49 | D | 85.3 | Confident | 92.9 | Very high | 109 Ų | 109 | 31.6 Ų | 31.6 | 58% | 0.583 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62.6 | -32.4 | -172.1 | -84.5 | -20.3 | 0 | 0 | 0 | 113.4 | Q53 | D49-Q53 WeakPolarHBondContact O-CB 3.4Å; D49-Q53 PolarHBondContact O-N 3.31Å |
| 50 | A | 93.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 31.8 Ų | 31.8 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -48.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P18 D48 K54 | P18-A50 HydrophobicContact CG-CB 4.16Å; D48-A50 VanDerWaalsContact C-N 3.27Å; D48-A50 PolarHBondContact O-N 3.21Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.16Å |
| 51 | W | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.4 | -86.1 | 106 | 0 | 0 | 0 | 111.3 | W11 V13 E16 P18 L23 L42 V45 D48 Q53 K54 L55 | W11-W51 HydrophobicContact CE3-CH2 4.04Å; W11-W51 HydrophobicContact CE3-CZ3 4.5Å; W11-W51 HydrophobicContact CH2-CH2 4.11Å; W11-W51 AromaticContact CZ3-CH2 3.46Å; W11-W51 HydrophobicContact CZ3-CH2 3.46Å; W11-W51 VanDerWaalsContact CZ3-CH2 3.46Å; W11-W51 HydrophobicContact CZ3-CZ2 4.36Å; W11-W51 HydrophobicContact CZ3-CZ3 4.11Å; V13-W51 HydrophobicContact CB-CZ2 3.88Å; V13-W51 HydrophobicContact CG1-CH2 4.03Å; V13-W51 HydrophobicContact CG1-CZ2 3.54Å; V13-W51 HydrophobicContact CG2-CZ2 4.41Å; E16-W51 PolarHBondContact O-NE1 3.1Å; P18-W51 HydrophobicContact CB-CD2 4Å; P18-W51 HydrophobicContact CB-CE3 3.9Å; P18-W51 HydrophobicContact CB-CH2 3.95Å; P18-W51 HydrophobicContact CB-CZ2 4.07Å; P18-W51 HydrophobicContact CB-CZ3 3.88Å; P18-W51 HydrophobicContact CG-CD2 4.14Å; P18-W51 HydrophobicContact CG-CE3 4.42Å; P18-W51 HydrophobicContact CG-CG 4.35Å; L23-W51 HydrophobicContact CD1-CZ3 4.35Å; L42-W51 HydrophobicContact CD1-CB 4.1Å; L42-W51 HydrophobicContact CD1-CD2 3.88Å; L42-W51 HydrophobicContact CD1-CE3 3.92Å; L42-W51 HydrophobicContact CD1-CG 3.98Å; V45-W51 HydrophobicContact CG1-CB 4.4Å; V45-W51 HydrophobicContact CG1-CG 4.23Å; D48-W51 PolarHBondContact O-N 2.9Å; W51-Q53 VanDerWaalsContact C-N 3.34Å; W51-Q53 PolarHBondContact O-N 2.83Å; W51-K54 PolarHBondContact O-N 2.89Å; W51-L55 WeakPolarHBondContact O-CB 3.38Å; W51-L55 VanDerWaalsContact O-CG 3.26Å; W51-L55 WeakPolarHBondContact O-CG 3.09Å; W51-L55 PolarHBondContact O-N 2.86Å |
| 52 | R | 94.4 | Very high | 92.2 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 17% | 0.174 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.4 | -48.6 | 175 | -174.5 | -179.5 | -166.5 | -83.7 | -0.5 | 111.7 | D48 L55 L56 F78 D444 | D48-R52 VanDerWaalsContact O-CB 3.3Å; D48-R52 WeakPolarHBondContact O-CB 3.5Å; D48-R52 PolarHBondContact O-N 3.25Å; R52-L55 PolarHBondContact O-N 2.89Å; R52-L56 HydrophobicContact CG-CD1 4.27Å; R52-L56 WeakPolarHBondContact O-CG 3.25Å; R52-L56 PolarHBondContact O-N 3.13Å; R52-F78 HydrophobicContact CB-CE1 3.83Å; R52-F78 HydrophobicContact CB-CZ 4.28Å; R52-F78 HydrophobicContact CG-CE1 3.92Å; R52-D444 IonicContact CZ-OD2 3.47Å; R52-D444 IonicContact NH1-OD2 3.48Å; R52-D444 PolarHBondContact NH1-OD2 3.5Å; R52-D444 IonicContact NH2-OD1 3.54Å; R52-D444 PolarHBondContact NH2-OD1 3.37Å; R52-D444 IonicContact NH2-OD2 3.54Å; R52-D444 PolarHBondContact NH2-OD2 3.31Å |
| 53 | Q | 92.8 | Very high | 92 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 41% | 0.407 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 177.9 | -179.3 | 177.3 | -3.3 | 0 | 0 | 111.3 | D49 W51 L55 L56 E57 | D49-Q53 WeakPolarHBondContact O-CB 3.4Å; D49-Q53 PolarHBondContact O-N 3.31Å; W51-Q53 VanDerWaalsContact C-N 3.34Å; W51-Q53 PolarHBondContact O-N 2.83Å; Q53-L55 VanDerWaalsContact C-N 3.31Å; Q53-L55 PolarHBondContact O-N 2.88Å; Q53-L56 PolarHBondContact O-N 2.79Å; Q53-E57 HydrophobicContact CG-CG 4.3Å; Q53-E57 VanDerWaalsContact CG-OE1 3.3Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.34Å; Q53-E57 PolarHBondContact NE2-OE1 3.17Å; Q53-E57 VanDerWaalsContact O-CG 3.31Å; Q53-E57 WeakPolarHBondContact O-CG 3.11Å; Q53-E57 PolarHBondContact O-N 2.89Å |
| 54 | K | 94.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 12% | 0.122 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 178.8 | -175.4 | 77.1 | 171.6 | -175.9 | 0 | 112 | P18 G19 E21 L23 A50 W51 E57 H58 | P18-K54 HydrophobicContact CB-CB 3.85Å; P18-K54 HydrophobicContact CB-CD 4.1Å; P18-K54 HydrophobicContact CB-CG 3.66Å; P18-K54 HydrophobicContact CG-CB 3.9Å; P18-K54 HydrophobicContact CG-CG 4.26Å; G19-K54 WeakPolarHBondContact O-CE 3.49Å; G19-K54 PolarHBondContact O-NZ 2.95Å; E21-K54 VanDerWaalsContact O-CE 3.3Å; E21-K54 WeakPolarHBondContact O-CE 3.49Å; E21-K54 PolarHBondContact O-NZ 2.8Å; L23-K54 HydrophobicContact CD1-CG 3.65Å; L23-K54 HydrophobicContact CG-CG 4.37Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.16Å; W51-K54 PolarHBondContact O-N 2.89Å; K54-E57 PolarHBondContact O-N 3.33Å; K54-H58 WeakPolarHBondContact CE-CE1 3.3Å; K54-H58 PolarHBondContact O-N 2.84Å; K54-H58 PolarHBondContact O-ND1 2.57Å |
| 55 | L | 96.9 | Very high | 92 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.3 | -69.9 | 171.4 | 0 | 0 | 0 | 111.2 | L23 L27 V40 W51 R52 Q53 E57 H58 L59 F78 F80 | L23-L55 HydrophobicContact CD1-CD2 4.03Å; L27-L55 HydrophobicContact CD1-CD2 4.3Å; L27-L55 HydrophobicContact CD2-CD2 3.8Å; V40-L55 HydrophobicContact CG1-CD1 4.37Å; V40-L55 HydrophobicContact CG1-CD2 4.33Å; V40-L55 HydrophobicContact CG2-CD2 4.36Å; W51-L55 WeakPolarHBondContact O-CB 3.38Å; W51-L55 VanDerWaalsContact O-CG 3.26Å; W51-L55 WeakPolarHBondContact O-CG 3.09Å; W51-L55 PolarHBondContact O-N 2.86Å; R52-L55 PolarHBondContact O-N 2.89Å; Q53-L55 VanDerWaalsContact C-N 3.31Å; Q53-L55 PolarHBondContact O-N 2.88Å; L55-E57 VanDerWaalsContact C-N 3.35Å; L55-E57 PolarHBondContact O-N 2.81Å; L55-H58 PolarHBondContact O-N 3.19Å; L55-L59 VanDerWaalsContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CB 3Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.4Å; L55-F78 HydrophobicContact CD1-CB 4.25Å; L55-F78 HydrophobicContact CD1-CD1 4.38Å; L55-F78 HydrophobicContact CD1-CD2 3.62Å; L55-F78 HydrophobicContact CD1-CE2 3.99Å; L55-F78 HydrophobicContact CD1-CG 3.84Å; L55-F80 HydrophobicContact CB-CE2 4.24Å; L55-F80 HydrophobicContact CB-CZ 3.79Å; L55-F80 HydrophobicContact CD1-CE2 4.38Å |
| 56 | L | 94.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.2 | -76.2 | 164 | 0 | 0 | 0 | 111.9 | R52 Q53 H58 L59 Y60 L66 F80 F393 A443 D444 | R52-L56 HydrophobicContact CG-CD1 4.27Å; R52-L56 WeakPolarHBondContact O-CG 3.25Å; R52-L56 PolarHBondContact O-N 3.13Å; Q53-L56 PolarHBondContact O-N 2.79Å; L56-H58 PolarHBondContact O-N 3.03Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-Y60 WeakPolarHBondContact O-CB 3.26Å; L56-Y60 PolarHBondContact O-N 2.82Å; L56-L66 HydrophobicContact CD2-CB 3.95Å; L56-F80 HydrophobicContact CD2-CE1 3.94Å; L56-F80 HydrophobicContact CG-CE1 4.36Å; L56-F393 HydrophobicContact CB-CE1 4.25Å; L56-F393 HydrophobicContact CB-CE2 3.86Å; L56-F393 HydrophobicContact CB-CZ 3.47Å; L56-F393 VanDerWaalsContact CB-CZ 3.47Å; L56-F393 HydrophobicContact CD1-CZ 4.21Å; L56-F393 HydrophobicContact CG-CZ 4.38Å; L56-A443 HydrophobicContact CD2-CB 4.07Å; L56-A443 WeakPolarHBondContact CD2-O 3.43Å; L56-D444 HydrophobicContact CD2-CB 4.16Å |
| 57 | E | 93.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 31.2 Ų | 31.2 | 35% | 0.35 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.4 | -35.2 | 177.7 | -75.4 | 171.3 | -179.2 | 0 | 0 | 112.7 | Q53 K54 L55 P61 F393 | Q53-E57 HydrophobicContact CG-CG 4.3Å; Q53-E57 VanDerWaalsContact CG-OE1 3.3Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.34Å; Q53-E57 PolarHBondContact NE2-OE1 3.17Å; Q53-E57 VanDerWaalsContact O-CG 3.31Å; Q53-E57 WeakPolarHBondContact O-CG 3.11Å; Q53-E57 PolarHBondContact O-N 2.89Å; K54-E57 PolarHBondContact O-N 3.33Å; L55-E57 VanDerWaalsContact C-N 3.35Å; L55-E57 PolarHBondContact O-N 2.81Å; E57-P61 WeakPolarHBondContact O-CD 3.41Å; E57-P61 WeakPolarHBondContact O-CG 3.33Å; E57-F393 HydrophobicContact CB-CD1 4.49Å; E57-F393 HydrophobicContact CG-CD1 3.59Å; E57-F393 HydrophobicContact CG-CE1 3.56Å |
| 58 | H | 95.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 30 Ų | 30 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -83.1 | -33.6 | 177.6 | -72.3 | 68.3 | 0 | 0 | 0 | 112.6 | D22 L23 L27 K54 L55 L56 H62 | D22-H58 IonicContact OD1-CD2 3.39Å; D22-H58 IonicContact OD1-NE2 3.35Å; L23-H58 HydrophobicContact CB-CB 4.48Å; L23-H58 PolarHBondContact N-CD2 2.64Å; L23-H58 VanDerWaalsContact N-CD2 3.31Å; L23-H58 PolarHBondContact N-NE2 3.18Å; L27-H58 HydrophobicContact CD1-CB 3.74Å; K54-H58 WeakPolarHBondContact CE-CE1 3.3Å; K54-H58 PolarHBondContact O-N 2.84Å; K54-H58 PolarHBondContact O-ND1 2.57Å; L55-H58 PolarHBondContact O-N 3.19Å; L56-H58 PolarHBondContact O-N 3.03Å; H58-H62 PolarHBondContact O-CE1 3.47Å; H58-H62 PolarHBondContact O-ND1 2.82Å |
| 59 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -91.2 | -33.5 | -170.9 | -74.6 | 170 | 0 | 0 | 0 | 113.3 | L27 V29 I38 L55 L56 H62 G63 Y64 F80 | L27-L59 HydrophobicContact CB-CD2 4.26Å; L27-L59 HydrophobicContact CD1-CD1 4.24Å; L27-L59 HydrophobicContact CD1-CD2 4.1Å; L27-L59 HydrophobicContact CD1-CG 3.9Å; L27-L59 HydrophobicContact CD2-CD1 4.37Å; V29-L59 HydrophobicContact CG1-CD2 3.63Å; I38-L59 HydrophobicContact CD1-CD2 3.51Å; L55-L59 VanDerWaalsContact O-CB 3.29Å; L55-L59 WeakPolarHBondContact O-CB 3Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.4Å; L56-L59 PolarHBondContact O-N 3.47Å; L59-H62 CarbonylContact O-C 3.59Å; L59-H62 WeakPolarHBondContact O-CA 3.19Å; L59-H62 PolarHBondContact O-N 3.25Å; L59-G63 PolarHBondContact O-N 2.78Å; L59-Y64 HydrophobicContact CD2-CD2 3.93Å; L59-Y64 HydrophobicContact CD2-CE2 4.45Å; L59-Y64 HydrophobicContact CD2-CG 4.13Å; L59-Y64 PolarHBondContact O-N 3.48Å; L59-F80 HydrophobicContact CB-CD1 4.2Å; L59-F80 HydrophobicContact CB-CE1 4.28Å; L59-F80 HydrophobicContact CD1-CB 4.23Å; L59-F80 HydrophobicContact CD1-CD1 3.52Å; L59-F80 HydrophobicContact CD1-CD2 3.47Å; L59-F80 VanDerWaalsContact CD1-CD2 3.47Å; L59-F80 HydrophobicContact CD1-CE1 3.54Å; L59-F80 HydrophobicContact CD1-CE2 3.49Å; L59-F80 VanDerWaalsContact CD1-CE2 3.49Å; L59-F80 HydrophobicContact CD1-CG 3.48Å; L59-F80 VanDerWaalsContact CD1-CG 3.48Å; L59-F80 HydrophobicContact CD1-CZ 3.55Å; L59-F80 HydrophobicContact CG-CD1 4.46Å |
| 60 | Y | 94.7 | Very high | 95 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -60.8 | -46.9 | -178.9 | 173.5 | -103.6 | 0 | 0 | 0 | 113.8 | L56 H62 G63 P389 S391 F393 L396 E441 A443 | L56-Y60 WeakPolarHBondContact O-CB 3.26Å; L56-Y60 PolarHBondContact O-N 2.82Å; Y60-H62 PolarHBondContact O-N 2.81Å; Y60-H62 VanDerWaalsContact O-N 3.09Å; Y60-G63 PolarHBondContact O-N 2.91Å; Y60-P389 HydrophobicContact CD2-CG 4.04Å; Y60-P389 HydrophobicContact CE1-CB 3.91Å; Y60-P389 HydrophobicContact CE1-CG 4.31Å; Y60-P389 HydrophobicContact CE2-CB 3.79Å; Y60-P389 HydrophobicContact CE2-CG 3.58Å; Y60-P389 VanDerWaalsContact CZ-CB 3.43Å; Y60-P389 WeakPolarHBondContact O-CD 3.49Å; Y60-P389 WeakPolarHBondContact O-CG 3.49Å; Y60-P389 WeakPolarHBondContact OH-CB 3.34Å; Y60-S391 WeakPolarHBondContact CE1-O 3.34Å; Y60-S391 PolarHBondContact OH-OG 3.31Å; Y60-F393 HydrophobicContact CD1-CB 3.67Å; Y60-F393 AromaticContact CD1-CD2 3.73Å; Y60-F393 HydrophobicContact CD1-CD2 3.73Å; Y60-F393 HydrophobicContact CD1-CG 4.12Å; Y60-F393 HydrophobicContact CD2-CD2 4.48Å; Y60-F393 HydrophobicContact CE1-CB 4.06Å; Y60-F393 HydrophobicContact CE1-CD2 4.33Å; Y60-F393 AromaticContact CG-CD2 3.75Å; Y60-F393 HydrophobicContact CG-CD2 3.75Å; Y60-L396 HydrophobicContact CE2-CD2 4.32Å; Y60-E441 WeakPolarHBondContact CE2-O 3.47Å; Y60-E441 WeakPolarHBondContact OH-CB 3.28Å; Y60-E441 PolarHBondContact OH-O 3.3Å; Y60-E441 VanDerWaalsContact OH-O 3.14Å; Y60-A443 HydrophobicContact CD2-CB 3.31Å; Y60-A443 HydrophobicContact CE2-CB 3.88Å; Y60-A443 HydrophobicContact CG-CB 3.92Å |
| 61 | P | 93.3 | Very high | 95 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 42% | 0.416 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -61.6 | -20.1 | 175.7 | -23 | 35.6 | 0 | 0 | 0 | 113 | E57 G63 V388 | E57-P61 WeakPolarHBondContact O-CD 3.41Å; E57-P61 WeakPolarHBondContact O-CG 3.33Å; P61-G63 VanDerWaalsContact C-N 3.34Å; P61-V388 WeakPolarHBondContact O-CG1 3.46Å |
| 62 | H | 94.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 24% | 0.236 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -94.2 | 17.1 | 173.6 | -57.7 | 90.7 | 0 | 0 | 0 | 111.6 | V29 H58 L59 Y60 Y64 Q386 | V29-H62 HydrophobicContact CB-CB 4.42Å; V29-H62 HydrophobicContact CG1-CB 4.4Å; H58-H62 PolarHBondContact O-CE1 3.47Å; H58-H62 PolarHBondContact O-ND1 2.82Å; L59-H62 CarbonylContact O-C 3.59Å; L59-H62 WeakPolarHBondContact O-CA 3.19Å; L59-H62 PolarHBondContact O-N 3.25Å; Y60-H62 PolarHBondContact O-N 2.81Å; Y60-H62 VanDerWaalsContact O-N 3.09Å; H62-Y64 VanDerWaalsContact C-N 3.28Å; H62-Y64 HydrophobicContact CB-CD2 3.76Å; H62-Y64 HydrophobicContact CB-CE2 3.8Å; H62-Y64 WeakPolarHBondContact O-CD2 3.38Å; H62-Y64 WeakPolarHBondContact O-CE2 3.29Å; H62-Y64 PolarHBondContact O-N 3.21Å; H62-Q386 PolarHBondContact O-NE2 3.41Å |
| 63 | G | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 20.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116 | L59 Y60 P61 R83 Y387 | L59-G63 PolarHBondContact O-N 2.78Å; Y60-G63 PolarHBondContact O-N 2.91Å; P61-G63 VanDerWaalsContact C-N 3.34Å; G63-R83 WeakPolarHBondContact O-CB 3.38Å; G63-R83 PolarHBondContact O-N 2.86Å; G63-Y387 WeakPolarHBondContact CA-O 3.16Å |
| 64 | Y | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 154.1 | 170.9 | -66.6 | -90.8 | 0 | 0 | 0 | 111 | V29 P35 I38 L59 H62 L81 K82 | V29-Y64 HydrophobicContact CG1-CE2 4.22Å; P35-Y64 WeakPolarHBondContact CD-OH 3.32Å; P35-Y64 WeakPolarHBondContact O-CE1 3.43Å; P35-Y64 VanDerWaalsContact O-CZ 3.25Å; P35-Y64 PolarHBondContact O-OH 2.93Å; I38-Y64 HydrophobicContact CD1-CD1 3.95Å; I38-Y64 HydrophobicContact CD1-CD2 4.38Å; I38-Y64 HydrophobicContact CD1-CE1 3.52Å; I38-Y64 HydrophobicContact CD1-CE2 4.01Å; I38-Y64 HydrophobicContact CD1-CG 4.37Å; I38-Y64 HydrophobicContact CG1-CD1 4.42Å; I38-Y64 HydrophobicContact CG1-CE1 3.95Å; L59-Y64 HydrophobicContact CD2-CD2 3.93Å; L59-Y64 HydrophobicContact CD2-CE2 4.45Å; L59-Y64 HydrophobicContact CD2-CG 4.13Å; L59-Y64 PolarHBondContact O-N 3.48Å; H62-Y64 VanDerWaalsContact C-N 3.28Å; H62-Y64 HydrophobicContact CB-CD2 3.76Å; H62-Y64 HydrophobicContact CB-CE2 3.8Å; H62-Y64 WeakPolarHBondContact O-CD2 3.38Å; H62-Y64 WeakPolarHBondContact O-CE2 3.29Å; H62-Y64 PolarHBondContact O-N 3.21Å; Y64-L81 CarbonylContact C-O 3.21Å; Y64-L81 WeakPolarHBondContact CA-O 3.21Å; Y64-K82 HydrophobicContact CD1-CG 4Å; Y64-K82 HydrophobicContact CE1-CB 4.48Å; Y64-K82 HydrophobicContact CE1-CG 3.47Å; Y64-K82 VanDerWaalsContact CE1-CG 3.47Å |
| 65 | V | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.1 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | I67 F80 L81 R83 L86 F442 A443 L445 | V65-I67 PolarHBondContact O-N 2.92Å; V65-F80 CarbonylContact O-C 3.5Å; V65-F80 VanDerWaalsContact O-CA 3.28Å; V65-F80 WeakPolarHBondContact O-CA 3.41Å; V65-L81 PolarHBondContact N-O 2.92Å; V65-L81 PolarHBondContact O-N 3.21Å; V65-R83 HydrophobicContact CG2-CB 4.13Å; V65-R83 HydrophobicContact CG2-CG 4.4Å; V65-L86 HydrophobicContact CB-CD2 4.37Å; V65-L86 HydrophobicContact CG1-CD2 4.27Å; V65-L86 HydrophobicContact CG2-CD1 4.22Å; V65-F442 HydrophobicContact CG1-CD2 3.89Å; V65-F442 HydrophobicContact CG1-CE2 3.49Å; V65-F442 VanDerWaalsContact CG1-CE2 3.49Å; V65-F442 HydrophobicContact CG1-CZ 4.34Å; V65-A443 CarbonylContact C-O 3.57Å; V65-A443 VanDerWaalsContact CA-O 3.29Å; V65-A443 WeakPolarHBondContact CA-O 3.11Å; V65-L445 HydrophobicContact CG1-CB 4.48Å |
| 66 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 116.3 | 169.1 | 179 | 68.1 | 0 | 0 | 0 | 108 | L56 K68 F78 F80 A443 D444 L445 | L56-L66 HydrophobicContact CD2-CB 3.95Å; L66-K68 WeakPolarHBondContact CD1-O 3.33Å; L66-F78 HydrophobicContact CD1-CB 4.08Å; L66-F78 HydrophobicContact CD1-CD1 4.28Å; L66-F80 HydrophobicContact CB-CD1 3.82Å; L66-F80 HydrophobicContact CB-CE1 3.59Å; L66-F80 HydrophobicContact CB-CZ 4.26Å; L66-F80 HydrophobicContact CD1-CD1 4.18Å; L66-F80 HydrophobicContact CD1-CD2 4.21Å; L66-F80 HydrophobicContact CD1-CE1 3.84Å; L66-F80 HydrophobicContact CD1-CE2 3.87Å; L66-F80 HydrophobicContact CD1-CG 4.35Å; L66-F80 HydrophobicContact CD1-CZ 3.66Å; L66-F80 HydrophobicContact CG-CE1 4.26Å; L66-F80 HydrophobicContact CG-CZ 4.46Å; L66-A443 PolarHBondContact N-O 2.96Å; L66-D444 HydrophobicContact CB-CB 4.46Å; L66-L445 VanDerWaalsContact O-CB 3.28Å; L66-L445 WeakPolarHBondContact O-CB 3.3Å; L66-L445 PolarHBondContact O-N 2.73Å |
| 67 | I | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -24.6 | 179.8 | 57.8 | 162.4 | 0 | 0 | 0 | 112.5 | V65 S79 L81 L86 V89 I92 F115 L445 | V65-I67 PolarHBondContact O-N 2.92Å; I67-S79 WeakPolarHBondContact CG1-O 3.27Å; I67-S79 PolarHBondContact N-O 2.71Å; I67-L81 HydrophobicContact CD1-CB 4.19Å; I67-L81 HydrophobicContact CG1-CB 4.4Å; I67-L81 HydrophobicContact CG2-CB 3.78Å; I67-L81 HydrophobicContact CG2-CD2 4.32Å; I67-L86 HydrophobicContact CG2-CD2 4.07Å; I67-V89 HydrophobicContact CD1-CG2 4.14Å; I67-I92 HydrophobicContact CB-CD1 4.32Å; I67-F115 HydrophobicContact CD1-CD1 3.67Å; I67-F115 HydrophobicContact CD1-CD2 4.25Å; I67-F115 HydrophobicContact CD1-CE1 3.71Å; I67-F115 HydrophobicContact CD1-CE2 4.27Å; I67-F115 HydrophobicContact CD1-CG 3.95Å; I67-F115 HydrophobicContact CD1-CZ 4Å; I67-L445 HydrophobicContact CB-CD2 4.44Å; I67-L445 HydrophobicContact CG2-CD2 4.49Å |
| 68 | K | 95.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 28 Ų | 28 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 136.4 | 177 | -169.2 | 71.4 | -158.2 | 146.7 | 0 | 110.9 | L66 S79 I92 S94 A113 L427 E446 | L66-K68 WeakPolarHBondContact CD1-O 3.33Å; K68-S79 PolarHBondContact N-O 2.7Å; K68-S79 PolarHBondContact O-N 3.47Å; K68-I92 HydrophobicContact CB-CG2 3.88Å; K68-I92 HydrophobicContact CD-CG2 3.86Å; K68-I92 HydrophobicContact CG-CG2 4.22Å; K68-S94 VanDerWaalsContact CE-CB 3.43Å; K68-S94 WeakPolarHBondContact CE-OG 3.34Å; K68-A113 HydrophobicContact CB-CB 4.32Å; K68-A113 HydrophobicContact CG-CB 3.93Å; K68-L427 HydrophobicContact CD-CD1 4.34Å; K68-E446 VanDerWaalsContact CD-OE1 3.3Å; K68-E446 WeakPolarHBondContact CD-OE1 3.34Å; K68-E446 WeakPolarHBondContact CE-OE1 3.43Å; K68-E446 IonicContact NZ-OE1 2.69Å; K68-E446 PolarHBondContact NZ-OE1 3.4Å |
| 69 | S | 95.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.9 | 163.1 | 65.6 | 0 | 0 | 0 | 0 | 110 | I77 E446 | S69-I77 WeakPolarHBondContact CA-O 3.27Å; S69-E446 WeakPolarHBondContact CA-OE2 3.47Å; S69-E446 WeakPolarHBondContact CB-OE2 3.26Å; S69-E446 VanDerWaalsContact N-CD 3.26Å; S69-E446 PolarHBondContact N-OE1 3.01Å; S69-E446 PolarHBondContact N-OE2 3.47Å; S69-E446 PolarHBondContact OG-OE2 2.73Å |
| 70 | R | 94.7 | Very high | 95.2 | Very high | 111 Ų | 111 | 26.7 Ų | 26.7 | 42% | 0.419 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 153.5 | 176.3 | -166.1 | 65.3 | 170.2 | 179.1 | -2.7 | 110.1 | I77 S94 V96 V111 | R70-I77 HydrophobicContact CB-CG2 4.04Å; R70-I77 PolarHBondContact N-O 3.48Å; R70-I77 PolarHBondContact O-N 3.06Å; R70-S94 WeakPolarHBondContact CD-OG 3.26Å; R70-S94 WeakPolarHBondContact CG-OG 3.22Å; R70-V96 HydrophobicContact CG-CG1 4.06Å; R70-V111 HydrophobicContact CB-CG2 3.63Å; R70-V111 HydrophobicContact CG-CG2 3.54Å |
| 71 | N | 93.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 32% | 0.321 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.2 | 173.4 | 71.5 | -54.5 | 0 | 0 | 0 | 113.9 | W73 I75 W76 | N71-W73 PolarHBondContact ND2-O 2.78Å; N71-I75 CarbonylContact C-O 3.54Å; N71-I75 WeakPolarHBondContact CA-O 3.36Å; N71-I75 WeakPolarHBondContact CB-O 3.38Å; N71-W76 HydrophobicContact CB-CD2 3.39Å; N71-W76 HydrophobicContact CB-CE3 3.73Å; N71-W76 HydrophobicContact CB-CG 3.89Å; N71-W76 HydrophobicContact CB-CH2 3.59Å; N71-W76 HydrophobicContact CB-CZ2 3.2Å; N71-W76 HydrophobicContact CB-CZ3 3.85Å; N71-W76 VanDerWaalsContact CG-CH2 3.43Å; N71-W76 VanDerWaalsContact ND2-CZ2 3.33Å; N71-W76 WeakPolarHBondContact ND2-CZ2 3.47Å; N71-W76 WeakPolarHBondContact OD1-CH2 3.17Å |
| 72 | C | 91 | Very high | 95.4 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 96.6 | 159.7 | -171.9 | 0 | 0 | 0 | 0 | 106.1 | A74 I75 V96 V111 | C72-A74 PolarHBondContact O-N 2.85Å; C72-A74 VanDerWaalsContact O-N 3.14Å; C72-I75 HydrophobicContact CB-CB 4.49Å; C72-I75 PolarHBondContact N-O 2.78Å; C72-I75 WeakPolarHBondContact O-CB 3.2Å; C72-I75 WeakPolarHBondContact O-CG1 3.4Å; C72-I75 PolarHBondContact O-N 2.91Å; C72-V96 HydrophobicContact CB-CB 4.18Å; C72-V96 HydrophobicContact CB-CG1 4.05Å; C72-V111 HydrophobicContact CB-CB 4.17Å |
| 73 | W | 88.1 | Confident | 95.4 | Very high | 178 Ų | 178 | 22.8 Ų | 22.8 | 67% | 0.674 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | -114.6 | -172.8 | -64.9 | 72.5 | 0 | 0 | 0 | 112.2 | N71 I75 W76 G106 | N71-W73 PolarHBondContact ND2-O 2.78Å; W73-I75 VanDerWaalsContact C-N 3.35Å; W73-W76 PolarHBondContact O-NE1 3.4Å; W73-G106 WeakPolarHBondContact CB-O 3.46Å |
| 74 | A | 92.9 | Very high | 95.3 | Very high | 34 Ų | 34 | 23.9 Ų | 23.9 | 28% | 0.281 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q43 E44 V45 C72 | Q43-A74 CarbonylContact C-O 3.55Å; Q43-A74 WeakPolarHBondContact CA-O 3.49Å; E44-A74 PolarHBondContact N-O 3.34Å; V45-A74 PolarHBondContact N-O 3.11Å; V45-A74 VanDerWaalsContact N-O 3.11Å; C72-A74 PolarHBondContact O-N 2.85Å; C72-A74 VanDerWaalsContact O-N 3.14Å |
| 75 | I | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 119.4 | 174.7 | -45.9 | 171.3 | 0 | 0 | 0 | 107.4 | L42 Q43 N71 C72 W73 V111 S126 H128 | L42-I75 CarbonylContact O-C 3.59Å; L42-I75 WeakPolarHBondContact O-CA 3.36Å; Q43-I75 HydrophobicContact CG-CG2 4.35Å; N71-I75 CarbonylContact C-O 3.54Å; N71-I75 WeakPolarHBondContact CA-O 3.36Å; N71-I75 WeakPolarHBondContact CB-O 3.38Å; C72-I75 HydrophobicContact CB-CB 4.49Å; C72-I75 PolarHBondContact N-O 2.78Å; C72-I75 WeakPolarHBondContact O-CB 3.2Å; C72-I75 WeakPolarHBondContact O-CG1 3.4Å; C72-I75 PolarHBondContact O-N 2.91Å; W73-I75 VanDerWaalsContact C-N 3.35Å; I75-V111 HydrophobicContact CB-CG1 4.44Å; I75-V111 HydrophobicContact CG2-CG1 3.93Å; I75-S126 VanDerWaalsContact CG2-O 3.31Å; I75-S126 WeakPolarHBondContact CG2-O 3.1Å; I75-S126 WeakPolarHBondContact CG2-OG 3.3Å; I75-H128 HydrophobicContact CD1-CB 3.58Å; I75-H128 HydrophobicContact CG1-CB 3.74Å |
| 76 | W | 97.2 | Very high | 95 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 5% | 0.049 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.4 | -174.6 | -78 | 78.5 | 0 | 0 | 0 | 111.7 | A41 L42 V45 D48 N71 W73 F78 S126 | A41-W76 CarbonylContact C-O 3.6Å; A41-W76 WeakPolarHBondContact CA-O 3.46Å; L42-W76 HydrophobicContact CB-CB 4.33Å; L42-W76 PolarHBondContact N-O 2.58Å; L42-W76 PolarHBondContact O-N 3.46Å; V45-W76 VanDerWaalsContact CB-CD1 3.46Å; V45-W76 HydrophobicContact CB-CG 4.36Å; V45-W76 HydrophobicContact CG2-CB 4.24Å; V45-W76 HydrophobicContact CG2-CG 4.09Å; D48-W76 HydrophobicContact CB-CD2 4.32Å; D48-W76 HydrophobicContact CB-CE3 4.49Å; D48-W76 HydrophobicContact CB-CH2 3.23Å; D48-W76 HydrophobicContact CB-CZ2 2.98Å; D48-W76 HydrophobicContact CB-CZ3 4Å; D48-W76 WeakPolarHBondContact OD2-CH2 3.47Å; D48-W76 WeakPolarHBondContact OD2-CZ2 3.25Å; N71-W76 HydrophobicContact CB-CD2 3.39Å; N71-W76 HydrophobicContact CB-CE3 3.73Å; N71-W76 HydrophobicContact CB-CG 3.89Å; N71-W76 HydrophobicContact CB-CH2 3.59Å; N71-W76 HydrophobicContact CB-CZ2 3.2Å; N71-W76 HydrophobicContact CB-CZ3 3.85Å; N71-W76 VanDerWaalsContact CG-CH2 3.43Å; N71-W76 VanDerWaalsContact ND2-CZ2 3.33Å; N71-W76 WeakPolarHBondContact ND2-CZ2 3.47Å; N71-W76 WeakPolarHBondContact OD1-CH2 3.17Å; W73-W76 PolarHBondContact O-NE1 3.4Å; W76-F78 HydrophobicContact CB-CD2 4.34Å; W76-F78 HydrophobicContact CB-CE2 3.61Å; W76-F78 HydrophobicContact CB-CZ 4.12Å; W76-F78 HydrophobicContact CD2-CE2 4.26Å; W76-F78 AromaticContact CD2-CZ 3.83Å; W76-F78 HydrophobicContact CD2-CZ 3.83Å; W76-F78 AromaticContact CE3-CE1 3.71Å; W76-F78 HydrophobicContact CE3-CE1 3.71Å; W76-F78 AromaticContact CE3-CE2 3.99Å; W76-F78 HydrophobicContact CE3-CE2 3.99Å; W76-F78 AromaticContact CE3-CZ 3.31Å; W76-F78 HydrophobicContact CE3-CZ 3.31Å; W76-F78 HydrophobicContact CG-CE2 4.14Å; W76-F78 HydrophobicContact CG-CZ 4.19Å; W76-F78 HydrophobicContact CZ3-CE1 4.16Å; W76-F78 HydrophobicContact CZ3-CZ 4.11Å; W76-S126 WeakPolarHBondContact O-CB 3.07Å; W76-S126 PolarHBondContact O-OG 2.83Å |
| 77 | I | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.8 | 165.4 | -170.1 | 67.1 | 0 | 0 | 0 | 109.1 | S39 V40 A41 S69 R70 V111 A113 F124 M169 | S39-I77 WeakPolarHBondContact OG-CD1 3.32Å; V40-I77 WeakPolarHBondContact O-CA 3.24Å; A41-I77 HydrophobicContact CB-CD1 4.18Å; S69-I77 WeakPolarHBondContact CA-O 3.27Å; R70-I77 HydrophobicContact CB-CG2 4.04Å; R70-I77 PolarHBondContact N-O 3.48Å; R70-I77 PolarHBondContact O-N 3.06Å; I77-V111 HydrophobicContact CB-CG1 4.11Å; I77-V111 HydrophobicContact CG2-CB 4.46Å; I77-V111 HydrophobicContact CG2-CG1 4Å; I77-V111 HydrophobicContact CG2-CG2 3.71Å; I77-A113 HydrophobicContact CG1-CB 4.08Å; I77-A113 HydrophobicContact CG2-CB 3.98Å; I77-F124 HydrophobicContact CD1-CB 4.15Å; I77-F124 HydrophobicContact CG1-CB 4.48Å; I77-M169 HydrophobicContact CD1-CE 3.73Å |
| 78 | F | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.6 | 172.9 | -56.2 | -89.7 | 0 | 0 | 0 | 109.3 | S39 V40 L42 R52 L55 L66 W76 F80 | S39-F78 CarbonylContact C-O 3.32Å; S39-F78 WeakPolarHBondContact CA-O 3Å; V40-F78 HydrophobicContact CB-CB 4.44Å; V40-F78 PolarHBondContact N-O 3.47Å; V40-F78 PolarHBondContact O-N 2.93Å; L42-F78 HydrophobicContact CD1-CE2 4.12Å; R52-F78 HydrophobicContact CB-CE1 3.83Å; R52-F78 HydrophobicContact CB-CZ 4.28Å; R52-F78 HydrophobicContact CG-CE1 3.92Å; L55-F78 HydrophobicContact CD1-CB 4.25Å; L55-F78 HydrophobicContact CD1-CD1 4.38Å; L55-F78 HydrophobicContact CD1-CD2 3.62Å; L55-F78 HydrophobicContact CD1-CE2 3.99Å; L55-F78 HydrophobicContact CD1-CG 3.84Å; L66-F78 HydrophobicContact CD1-CB 4.08Å; L66-F78 HydrophobicContact CD1-CD1 4.28Å; W76-F78 HydrophobicContact CB-CD2 4.34Å; W76-F78 HydrophobicContact CB-CE2 3.61Å; W76-F78 HydrophobicContact CB-CZ 4.12Å; W76-F78 HydrophobicContact CD2-CE2 4.26Å; W76-F78 AromaticContact CD2-CZ 3.83Å; W76-F78 HydrophobicContact CD2-CZ 3.83Å; W76-F78 AromaticContact CE3-CE1 3.71Å; W76-F78 HydrophobicContact CE3-CE1 3.71Å; W76-F78 AromaticContact CE3-CE2 3.99Å; W76-F78 HydrophobicContact CE3-CE2 3.99Å; W76-F78 AromaticContact CE3-CZ 3.31Å; W76-F78 HydrophobicContact CE3-CZ 3.31Å; W76-F78 HydrophobicContact CG-CE2 4.14Å; W76-F78 HydrophobicContact CG-CZ 4.19Å; W76-F78 HydrophobicContact CZ3-CE1 4.16Å; W76-F78 HydrophobicContact CZ3-CZ 4.11Å; F78-F80 HydrophobicContact CB-CD2 4.3Å; F78-F80 HydrophobicContact CB-CE2 3.59Å; F78-F80 HydrophobicContact CB-CZ 4.35Å |
| 79 | S | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.7 | 178.7 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | S39 I67 K68 | S39-S79 PolarHBondContact OG-OG 2.59Å; I67-S79 WeakPolarHBondContact CG1-O 3.27Å; I67-S79 PolarHBondContact N-O 2.71Å; K68-S79 PolarHBondContact N-O 2.7Å; K68-S79 PolarHBondContact O-N 3.47Å |
| 80 | F | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.6 | -179.9 | -63.3 | -98.3 | 0 | 0 | 0 | 110.8 | V37 I38 L55 L56 L59 V65 L66 F78 | V37-F80 WeakPolarHBondContact CA-O 3.24Å; I38-F80 HydrophobicContact CB-CB 4.32Å; I38-F80 PolarHBondContact N-O 2.73Å; I38-F80 PolarHBondContact O-N 3.23Å; L55-F80 HydrophobicContact CB-CE2 4.24Å; L55-F80 HydrophobicContact CB-CZ 3.79Å; L55-F80 HydrophobicContact CD1-CE2 4.38Å; L56-F80 HydrophobicContact CD2-CE1 3.94Å; L56-F80 HydrophobicContact CG-CE1 4.36Å; L59-F80 HydrophobicContact CB-CD1 4.2Å; L59-F80 HydrophobicContact CB-CE1 4.28Å; L59-F80 HydrophobicContact CD1-CB 4.23Å; L59-F80 HydrophobicContact CD1-CD1 3.52Å; L59-F80 HydrophobicContact CD1-CD2 3.47Å; L59-F80 VanDerWaalsContact CD1-CD2 3.47Å; L59-F80 HydrophobicContact CD1-CE1 3.54Å; L59-F80 HydrophobicContact CD1-CE2 3.49Å; L59-F80 VanDerWaalsContact CD1-CE2 3.49Å; L59-F80 HydrophobicContact CD1-CG 3.48Å; L59-F80 VanDerWaalsContact CD1-CG 3.48Å; L59-F80 HydrophobicContact CD1-CZ 3.55Å; L59-F80 HydrophobicContact CG-CD1 4.46Å; V65-F80 CarbonylContact O-C 3.5Å; V65-F80 VanDerWaalsContact O-CA 3.28Å; V65-F80 WeakPolarHBondContact O-CA 3.41Å; L66-F80 HydrophobicContact CB-CD1 3.82Å; L66-F80 HydrophobicContact CB-CE1 3.59Å; L66-F80 HydrophobicContact CB-CZ 4.26Å; L66-F80 HydrophobicContact CD1-CD1 4.18Å; L66-F80 HydrophobicContact CD1-CD2 4.21Å; L66-F80 HydrophobicContact CD1-CE1 3.84Å; L66-F80 HydrophobicContact CD1-CE2 3.87Å; L66-F80 HydrophobicContact CD1-CG 4.35Å; L66-F80 HydrophobicContact CD1-CZ 3.66Å; L66-F80 HydrophobicContact CG-CE1 4.26Å; L66-F80 HydrophobicContact CG-CZ 4.46Å; F78-F80 HydrophobicContact CB-CD2 4.3Å; F78-F80 HydrophobicContact CB-CE2 3.59Å; F78-F80 HydrophobicContact CB-CZ 4.35Å |
| 81 | L | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.2 | -179.2 | -175.7 | 68.9 | 0 | 0 | 0 | 109.6 | V37 Y64 V65 I67 R83 L85 L86 V89 L117 | V37-L81 HydrophobicContact CG2-CD1 3.84Å; Y64-L81 CarbonylContact C-O 3.21Å; Y64-L81 WeakPolarHBondContact CA-O 3.21Å; V65-L81 PolarHBondContact N-O 2.92Å; V65-L81 PolarHBondContact O-N 3.21Å; I67-L81 HydrophobicContact CD1-CB 4.19Å; I67-L81 HydrophobicContact CG1-CB 4.4Å; I67-L81 HydrophobicContact CG2-CB 3.78Å; I67-L81 HydrophobicContact CG2-CD2 4.32Å; L81-R83 PolarHBondContact O-N 3.36Å; L81-L85 HydrophobicContact CD1-CB 3.81Å; L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD2-CB 3.92Å; L81-L85 HydrophobicContact CG-CB 3.84Å; L81-L86 HydrophobicContact CD2-CD2 4.43Å; L81-V89 HydrophobicContact CD2-CB 3.73Å; L81-V89 HydrophobicContact CD2-CG1 3.63Å; L81-V89 HydrophobicContact CD2-CG2 4.31Å; L81-L117 HydrophobicContact CD1-CD1 4.1Å; L81-L117 HydrophobicContact CD1-CD2 3.68Å; L81-L117 HydrophobicContact CD2-CD1 4.38Å |
| 82 | K | 95.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 6% | 0.061 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.1 | 169 | -71.5 | -176.9 | 172.3 | 141.4 | 0 | 110.6 | S34 P35 D36 Y64 N84 L85 | S34-K82 PolarHBondContact O-NZ 3.33Å; S34-K82 VanDerWaalsContact OG-CE 3.28Å; S34-K82 WeakPolarHBondContact OG-CE 3.36Å; S34-K82 PolarHBondContact OG-NZ 2.78Å; P35-K82 WeakPolarHBondContact O-CE 3.4Å; P35-K82 PolarHBondContact O-NZ 2.96Å; D36-K82 PolarHBondContact O-N 3.14Å; D36-K82 IonicContact OD1-NZ 2.74Å; D36-K82 PolarHBondContact OD1-NZ 3.26Å; Y64-K82 HydrophobicContact CD1-CG 4Å; Y64-K82 HydrophobicContact CE1-CB 4.48Å; Y64-K82 HydrophobicContact CE1-CG 3.47Å; Y64-K82 VanDerWaalsContact CE1-CG 3.47Å; K82-N84 VanDerWaalsContact C-N 3.25Å; K82-N84 WeakPolarHBondContact CB-OD1 3.08Å; K82-N84 PolarHBondContact O-N 2.57Å; K82-N84 VanDerWaalsContact O-N 3.11Å; K82-L85 HydrophobicContact CB-CD1 4.45Å; K82-L85 WeakPolarHBondContact O-CB 3.46Å; K82-L85 PolarHBondContact O-N 3.34Å |
| 83 | R | 93.7 | Very high | 93.7 | Very high | 22 Ų | 22 | 19 Ų | 19 | 8% | 0.083 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -52.6 | -40 | -175 | -176.9 | -179.1 | -60.9 | -71.8 | -11.9 | 113.7 | G63 V65 L81 L85 L86 Y387 A440 E441 F442 | G63-R83 WeakPolarHBondContact O-CB 3.38Å; G63-R83 PolarHBondContact O-N 2.86Å; V65-R83 HydrophobicContact CG2-CB 4.13Å; V65-R83 HydrophobicContact CG2-CG 4.4Å; L81-R83 PolarHBondContact O-N 3.36Å; R83-L85 PolarHBondContact O-N 2.99Å; R83-L85 VanDerWaalsContact O-N 3.12Å; R83-L86 HydrophobicContact CG-CD1 3.87Å; R83-L86 WeakPolarHBondContact O-CB 3Å; R83-L86 VanDerWaalsContact O-CG 3.31Å; R83-L86 WeakPolarHBondContact O-CG 3.49Å; R83-L86 PolarHBondContact O-N 3.07Å; R83-L86 VanDerWaalsContact O-N 3.08Å; R83-Y387 VanDerWaalsContact CD-CD1 3.42Å; R83-A440 PolarHBondContact NH1-O 3.1Å; R83-E441 PolarHBondContact NH2-O 3.19Å; R83-F442 VanDerWaalsContact CZ-O 3.31Å; R83-F442 PolarHBondContact NH1-O 3.21Å; R83-F442 PolarHBondContact NH2-O 3.22Å |
| 84 | N | 90.9 | Very high | 94 | Very high | 24 Ų | 24 | 11.3 Ų | 11.3 | 13% | 0.128 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -62.4 | -17.7 | -179.5 | 60.2 | -55.8 | 0 | 0 | 0 | 113.2 | K82 P87 L381 S384 | K82-N84 VanDerWaalsContact C-N 3.25Å; K82-N84 WeakPolarHBondContact CB-OD1 3.08Å; K82-N84 PolarHBondContact O-N 2.57Å; K82-N84 VanDerWaalsContact O-N 3.11Å; N84-P87 WeakPolarHBondContact O-CD 3.24Å; N84-L381 PolarHBondContact ND2-O 2.84Å; N84-L381 WeakPolarHBondContact O-CD1 3.15Å; N84-S384 PolarHBondContact ND2-OG 3.46Å |
| 85 | L | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -94.4 | -2.8 | 177.1 | -61.6 | 175.9 | 0 | 0 | 0 | 113.8 | L4 D36 L81 K82 R83 P87 A88 V89 L117 L381 L382 | L4-L85 HydrophobicContact CD2-CD1 3.97Å; D36-L85 HydrophobicContact CB-CD1 3.72Å; L81-L85 HydrophobicContact CD1-CB 3.81Å; L81-L85 HydrophobicContact CD1-CD1 3.89Å; L81-L85 HydrophobicContact CD2-CB 3.92Å; L81-L85 HydrophobicContact CG-CB 3.84Å; K82-L85 HydrophobicContact CB-CD1 4.45Å; K82-L85 WeakPolarHBondContact O-CB 3.46Å; K82-L85 PolarHBondContact O-N 3.34Å; R83-L85 PolarHBondContact O-N 2.99Å; R83-L85 VanDerWaalsContact O-N 3.12Å; L85-P87 VanDerWaalsContact C-CD 3.42Å; L85-P87 VanDerWaalsContact C-N 3.29Å; L85-A88 WeakPolarHBondContact O-CA 3.44Å; L85-A88 WeakPolarHBondContact O-CB 3.46Å; L85-A88 PolarHBondContact O-N 3.14Å; L85-V89 PolarHBondContact O-N 3.27Å; L85-L117 HydrophobicContact CB-CD1 4.18Å; L85-L381 HydrophobicContact CD2-CD2 4.41Å; L85-L381 HydrophobicContact CD2-CG 4.3Å; L85-L382 HydrophobicContact CD2-CD2 3.98Å |
| 86 | L | 92.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -52.5 | -40.2 | 175 | -70.4 | 171.3 | 0 | 0 | 0 | 113.3 | V65 I67 L81 R83 A88 V89 F442 Y518 | V65-L86 HydrophobicContact CB-CD2 4.37Å; V65-L86 HydrophobicContact CG1-CD2 4.27Å; V65-L86 HydrophobicContact CG2-CD1 4.22Å; I67-L86 HydrophobicContact CG2-CD2 4.07Å; L81-L86 HydrophobicContact CD2-CD2 4.43Å; R83-L86 HydrophobicContact CG-CD1 3.87Å; R83-L86 WeakPolarHBondContact O-CB 3Å; R83-L86 VanDerWaalsContact O-CG 3.31Å; R83-L86 WeakPolarHBondContact O-CG 3.49Å; R83-L86 PolarHBondContact O-N 3.07Å; R83-L86 VanDerWaalsContact O-N 3.08Å; L86-A88 PolarHBondContact O-N 2.58Å; L86-V89 WeakPolarHBondContact O-CG1 3.34Å; L86-V89 PolarHBondContact O-N 2.82Å; L86-F442 HydrophobicContact CD1-CE1 4.04Å; L86-F442 HydrophobicContact CD1-CE2 4.35Å; L86-F442 HydrophobicContact CD1-CZ 3.53Å; L86-Y518 HydrophobicContact CB-CE1 4.21Å; L86-Y518 HydrophobicContact CB-CE2 4.11Å; L86-Y518 HydrophobicContact CD1-CE1 4.43Å; L86-Y518 WeakPolarHBondContact O-CE2 3.33Å |
| 87 | P | 90 | Very high | 93.7 | Very high | 58 Ų | 58 | 15.2 Ų | 15.2 | 38% | 0.377 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -68.4 | -1.3 | 175.9 | -20 | 34.9 | 0 | 0 | 0 | 114.9 | N84 L85 L342 | N84-P87 WeakPolarHBondContact O-CD 3.24Å; L85-P87 VanDerWaalsContact C-CD 3.42Å; L85-P87 VanDerWaalsContact C-N 3.29Å; P87-L342 WeakPolarHBondContact O-CG 3.44Å |
| 88 | A | 89.8 | Confident | 93.1 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -113.9 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L85 L86 L117 C118 W339 L381 | L85-A88 WeakPolarHBondContact O-CA 3.44Å; L85-A88 WeakPolarHBondContact O-CB 3.46Å; L85-A88 PolarHBondContact O-N 3.14Å; L86-A88 PolarHBondContact O-N 2.58Å; A88-L117 HydrophobicContact CB-CD1 3.88Å; A88-L117 WeakPolarHBondContact O-CA 3.1Å; A88-C118 PolarHBondContact O-N 3.11Å; A88-W339 VanDerWaalsContact CA-CH2 3.43Å; A88-W339 HydrophobicContact CB-CH2 3.16Å; A88-W339 HydrophobicContact CB-CZ2 3.65Å; A88-W339 HydrophobicContact CB-CZ3 3.78Å; A88-L381 HydrophobicContact CB-CD2 3.84Å |
| 89 | V | 92.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.5 | -178.1 | 71.2 | 0 | 0 | 0 | 0 | 112 | I67 L81 L85 L86 I92 F115 E116 L117 | I67-V89 HydrophobicContact CD1-CG2 4.14Å; L81-V89 HydrophobicContact CD2-CB 3.73Å; L81-V89 HydrophobicContact CD2-CG1 3.63Å; L81-V89 HydrophobicContact CD2-CG2 4.31Å; L85-V89 PolarHBondContact O-N 3.27Å; L86-V89 WeakPolarHBondContact O-CG1 3.34Å; L86-V89 PolarHBondContact O-N 2.82Å; V89-I92 HydrophobicContact CG1-CD1 4.34Å; V89-I92 HydrophobicContact CG2-CD1 4.16Å; V89-I92 HydrophobicContact CG2-CG1 4.07Å; V89-F115 HydrophobicContact CG2-CB 3.91Å; V89-F115 HydrophobicContact CG2-CD2 3.82Å; V89-F115 HydrophobicContact CG2-CG 4.07Å; V89-E116 CarbonylContact C-O 3.58Å; V89-E116 VanDerWaalsContact CA-O 3.29Å; V89-E116 WeakPolarHBondContact CA-O 3.4Å; V89-L117 HydrophobicContact CB-CD1 4.26Å |
| 90 | T | 90.3 | Very high | 90.3 | Very high | 16 Ų | 16 | 19 Ų | 19 | 10% | 0.098 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -178 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | I92 E116 Q516 | T90-I92 PolarHBondContact O-N 2.93Å; T90-I92 VanDerWaalsContact O-N 3.15Å; T90-E116 HydrophobicContact CG2-CB 3.78Å; T90-E116 HydrophobicContact CG2-CG 4.1Å; T90-E116 PolarHBondContact N-O 3Å; T90-E116 PolarHBondContact O-N 3.25Å; T90-Q516 PolarHBondContact OG1-NE2 3.15Å |
| 91 | N | 88.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48 | 43.5 | 177.4 | -61.9 | -38.6 | 0 | 0 | 0 | 112.8 | E93 R114 F115 E116 K512 C514 | N91-E93 PolarHBondContact O-N 3.46Å; N91-R114 WeakPolarHBondContact O-CD 3.12Å; N91-R114 PolarHBondContact O-NH1 2.68Å; N91-F115 WeakPolarHBondContact O-CA 3.35Å; N91-E116 HydrophobicContact CB-CB 4.3Å; N91-E116 PolarHBondContact ND2-OE2 3.29Å; N91-K512 WeakPolarHBondContact OD1-CD 3.5Å; N91-K512 PolarHBondContact OD1-NZ 3.42Å; N91-C514 PolarHBondContact N-SG 3.22Å |
| 92 | I | 93.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.3 | -177.9 | -52.1 | 174.9 | 0 | 0 | 0 | 109.1 | I67 K68 V89 T90 R114 F115 L445 C514 | I67-I92 HydrophobicContact CB-CD1 4.32Å; K68-I92 HydrophobicContact CB-CG2 3.88Å; K68-I92 HydrophobicContact CD-CG2 3.86Å; K68-I92 HydrophobicContact CG-CG2 4.22Å; V89-I92 HydrophobicContact CG1-CD1 4.34Å; V89-I92 HydrophobicContact CG2-CD1 4.16Å; V89-I92 HydrophobicContact CG2-CG1 4.07Å; T90-I92 PolarHBondContact O-N 2.93Å; T90-I92 VanDerWaalsContact O-N 3.15Å; I92-R114 WeakPolarHBondContact CA-O 3.34Å; I92-F115 HydrophobicContact CB-CB 4.43Å; I92-F115 HydrophobicContact CG1-CB 3.98Å; I92-L445 HydrophobicContact CD1-CD2 3.85Å; I92-C514 HydrophobicContact CB-CB 4.14Å; I92-C514 HydrophobicContact CG1-CB 4.25Å |
| 93 | E | 92.8 | Very high | 83.8 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 168.1 | -177.4 | -52.3 | -174.3 | -123.2 | 0 | 0 | 111.4 | N91 A113 R114 F152 R153 | N91-E93 PolarHBondContact O-N 3.46Å; E93-A113 WeakPolarHBondContact O-CA 3.3Å; E93-R114 HydrophobicContact CB-CG 3.99Å; E93-R114 PolarHBondContact N-O 3.36Å; E93-R114 PolarHBondContact O-N 3.46Å; E93-F152 HydrophobicContact CB-CD1 4.22Å; E93-R153 IonicContact OE1-NE 2.75Å; E93-R153 IonicContact OE1-NH2 2.83Å; E93-R153 WeakPolarHBondContact OE2-CB 3.1Å; E93-R153 VanDerWaalsContact OE2-CG 3.28Å; E93-R153 WeakPolarHBondContact OE2-CG 3.08Å; E93-R153 IonicContact OE2-CZ 3.14Å; E93-R153 PolarHBondContact OE2-N 3.02Å; E93-R153 IonicContact OE2-NE 2.59Å; E93-R153 PolarHBondContact OE2-NE 2.99Å; E93-R153 IonicContact OE2-NH2 2.72Å; E93-R153 PolarHBondContact OE2-NH2 3.43Å |
| 94 | S | 94.8 | Very high | 81.9 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 142.5 | 176.1 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | K68 R70 S112 | K68-S94 VanDerWaalsContact CE-CB 3.43Å; K68-S94 WeakPolarHBondContact CE-OG 3.34Å; R70-S94 WeakPolarHBondContact CD-OG 3.26Å; R70-S94 WeakPolarHBondContact CG-OG 3.22Å; S94-S112 CarbonylContact C-O 3.6Å; S94-S112 WeakPolarHBondContact CA-O 3.39Å; S94-S112 WeakPolarHBondContact CB-O 3.29Å |
| 95 | E | 94.9 | Very high | 80.2 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 162 | 176.3 | -76.7 | -59.9 | 151.1 | 0 | 0 | 111.8 | V111 S112 Q150 S151 F152 | E95-V111 WeakPolarHBondContact O-CA 3.47Å; E95-S112 PolarHBondContact N-O 2.86Å; E95-S112 PolarHBondContact N-OG 3.01Å; E95-S112 PolarHBondContact O-N 3.23Å; E95-Q150 HydrophobicContact CB-CB 4.06Å; E95-Q150 HydrophobicContact CB-CG 4.08Å; E95-S151 VanDerWaalsContact CG-O 3.27Å; E95-S151 WeakPolarHBondContact CG-O 3.31Å; E95-F152 HydrophobicContact CB-CE1 3.85Å; E95-F152 HydrophobicContact CB-CZ 4.18Å; E95-F152 HydrophobicContact CG-CD1 3.84Å; E95-F152 HydrophobicContact CG-CE1 3.57Å; E95-F152 HydrophobicContact CG-CZ 4.17Å |
| 96 | V | 93.9 | Very high | 78.7 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 32% | 0.321 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.6 | 178.7 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | R70 C72 G110 V111 | R70-V96 HydrophobicContact CG-CG1 4.06Å; C72-V96 HydrophobicContact CB-CB 4.18Å; C72-V96 HydrophobicContact CB-CG1 4.05Å; V96-G110 WeakPolarHBondContact CA-O 3.29Å; V96-V111 HydrophobicContact CG1-CB 4.09Å; V96-V111 HydrophobicContact CG1-CG2 3.73Å |
| 97 | T | 90 | Very high | 77.8 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 113.6 | 165.6 | -53.2 | 0 | 0 | 0 | 0 | 106.9 | G109 G110 D145 I146 H149 Q150 | T97-G109 CarbonylContact O-C 3.59Å; T97-G109 VanDerWaalsContact O-CA 3.31Å; T97-G109 WeakPolarHBondContact O-CA 3.39Å; T97-G110 PolarHBondContact N-O 3.29Å; T97-G110 PolarHBondContact O-N 2.84Å; T97-D145 HydrophobicContact CG2-CB 4.24Å; T97-I146 HydrophobicContact CG2-CG1 4.34Å; T97-H149 HydrophobicContact CG2-CB 4.06Å; T97-Q150 WeakPolarHBondContact OG1-CG 3.48Å; T97-Q150 PolarHBondContact OG1-NE2 3.42Å |
| 98 | A | 84.8 | Confident | 77.7 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 47% | 0.471 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 99 | S | 73.2 | Confident | 77.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 172.3 | 170.1 | 76.4 | 0 | 0 | 0 | 0 | 109.9 | M105 K108 G109 D142 | S99-M105 CarbonylContact C-O 3.59Å; S99-K108 CarbonylContact C-O 3.52Å; S99-K108 PolarHBondContact N-O 3.14Å; S99-K108 CarbonylContact O-C 3.46Å; S99-K108 WeakPolarHBondContact O-CA 3.42Å; S99-K108 WeakPolarHBondContact O-CB 3.32Å; S99-K108 PolarHBondContact O-N 3.46Å; S99-K108 VanDerWaalsContact OG-C 3.25Å; S99-K108 WeakPolarHBondContact OG-CB 3.41Å; S99-G109 VanDerWaalsContact OG-CA 3.23Å; S99-G109 WeakPolarHBondContact OG-CA 3.3Å; S99-G109 PolarHBondContact OG-N 3.17Å; S99-D142 VanDerWaalsContact CB-OD1 3.3Å; S99-D142 WeakPolarHBondContact CB-OD1 3.21Å; S99-D142 PolarHBondContact OG-OD1 3.41Å |
| 100 | G | 64.2 | Low | 77.9 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | trans | 143.8 | -162.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A102 G103 M105 | G100-A102 PolarHBondContact O-N 2.99Å; G100-G103 PolarHBondContact O-N 2.9Å; G100-M105 VanDerWaalsContact CA-O 3.28Å; G100-M105 WeakPolarHBondContact CA-O 3.28Å | ||
| 101 | Y | 54.1 | Low | 78.2 | Confident | 201 Ų | 201 | 46.4 Ų | 46.4 | 79% | 0.788 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -54.8 | 117.7 | -169.9 | -150.6 | -94.3 | 0 | 0 | 0 | 110.9 | G103 V104 M105 | Y101-G103 PolarHBondContact O-N 3.07Å; Y101-G103 VanDerWaalsContact O-N 3.16Å; Y101-V104 PolarHBondContact O-N 3.29Å; Y101-M105 PolarHBondContact O-N 3.15Å |
| 102 | A | 51.6 | Low | 78.6 | Confident | 91 Ų | 91 | 46 Ų | 46 | 75% | 0.752 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 57.1 | 17.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G100 V104 | G100-A102 PolarHBondContact O-N 2.99Å; A102-V104 HydrophobicContact CB-CG2 4.41Å; A102-V104 PolarHBondContact O-N 3.28Å |
| 103 | G | 50.7 | Low | 78.9 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | 68.7 | 4.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G100 Y101 | G100-G103 PolarHBondContact O-N 2.9Å; Y101-G103 PolarHBondContact O-N 3.07Å; Y101-G103 VanDerWaalsContact O-N 3.16Å |
| 104 | V | 53.1 | Low | 79 | Confident | 127 Ų | 127 | 45.1 Ų | 45.1 | 77% | 0.77 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -31.5 | -175.3 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | Y101 A102 | Y101-V104 PolarHBondContact O-N 3.29Å; A102-V104 HydrophobicContact CB-CG2 4.41Å; A102-V104 PolarHBondContact O-N 3.28Å |
| 105 | M | 56 | Low | 79 | Confident | 128 Ų | 128 | 44.3 Ų | 44.3 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | trans | -101.2 | 115.6 | 178.8 | -77.9 | -168.8 | 170.9 | 0 | 0 | 111.4 | S99 G100 Y101 N107 | S99-M105 CarbonylContact C-O 3.59Å; G100-M105 VanDerWaalsContact CA-O 3.28Å; G100-M105 WeakPolarHBondContact CA-O 3.28Å; Y101-M105 PolarHBondContact O-N 3.15Å; M105-N107 VanDerWaalsContact C-N 3.29Å; M105-N107 PolarHBondContact O-N 3.38Å; M105-N107 VanDerWaalsContact O-N 3.14Å; M105-N107 PolarHBondContact O-OD1 2.72Å | ||
| 106 | G | 61.5 | Low | 78.8 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -83.4 | 37.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | W73 K108 | W73-G106 WeakPolarHBondContact CB-O 3.46Å; G106-K108 VanDerWaalsContact C-N 3.26Å | ||
| 107 | N | 73.8 | Confident | 78.6 | Confident | 87 Ų | 87 | 39.4 Ų | 39.4 | 47% | 0.465 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -85 | 0.4 | 176.3 | 73.4 | -51.4 | 0 | 0 | 0 | 113.5 | M105 | M105-N107 VanDerWaalsContact C-N 3.29Å; M105-N107 PolarHBondContact O-N 3.38Å; M105-N107 VanDerWaalsContact O-N 3.14Å; M105-N107 PolarHBondContact O-OD1 2.72Å |
| 108 | K | 88.4 | Confident | 78.4 | Confident | 19 Ų | 19 | 38.9 Ų | 38.9 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 169.8 | 175.6 | -61.7 | -68 | 173.9 | -100.3 | 0 | 109.6 | S99 G106 H128 F129 | S99-K108 CarbonylContact C-O 3.52Å; S99-K108 PolarHBondContact N-O 3.14Å; S99-K108 CarbonylContact O-C 3.46Å; S99-K108 WeakPolarHBondContact O-CA 3.42Å; S99-K108 WeakPolarHBondContact O-CB 3.32Å; S99-K108 PolarHBondContact O-N 3.46Å; S99-K108 VanDerWaalsContact OG-C 3.25Å; S99-K108 WeakPolarHBondContact OG-CB 3.41Å; G106-K108 VanDerWaalsContact C-N 3.26Å; K108-H128 VanDerWaalsContact CA-O 3.28Å; K108-H128 WeakPolarHBondContact CA-O 3.42Å; K108-H128 WeakPolarHBondContact CB-O 3.28Å; K108-H128 HydrophobicContact CD-CB 4.38Å; K108-H128 WeakPolarHBondContact CD-O 3.44Å; K108-H128 WeakPolarHBondContact CE-NE2 3.38Å; K108-H128 PolarHBondContact NZ-CD2 2.81Å; K108-H128 PolarHBondContact NZ-CE1 2.93Å; K108-H128 PolarHBondContact NZ-NE2 3.35Å; K108-F129 VanDerWaalsContact CD-C 3.5Å; K108-F129 VanDerWaalsContact CD-O 3.27Å; K108-F129 WeakPolarHBondContact CD-O 3.33Å; K108-F129 VanDerWaalsContact CE-O 3.3Å; K108-F129 WeakPolarHBondContact CE-O 3.48Å |
| 109 | G | 91.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.1 | -150.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T97 S99 C127 H128 | T97-G109 CarbonylContact O-C 3.59Å; T97-G109 VanDerWaalsContact O-CA 3.31Å; T97-G109 WeakPolarHBondContact O-CA 3.39Å; S99-G109 VanDerWaalsContact OG-CA 3.23Å; S99-G109 WeakPolarHBondContact OG-CA 3.3Å; S99-G109 PolarHBondContact OG-N 3.17Å; G109-C127 VanDerWaalsContact O-CA 3.3Å; G109-C127 WeakPolarHBondContact O-CA 3.36Å; G109-H128 PolarHBondContact N-O 3.23Å; G109-H128 PolarHBondContact O-N 2.76Å |
| 110 | G | 94.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V96 T97 S126 Q150 | V96-G110 WeakPolarHBondContact CA-O 3.29Å; T97-G110 PolarHBondContact N-O 3.29Å; T97-G110 PolarHBondContact O-N 2.84Å; G110-S126 WeakPolarHBondContact CA-O 3.41Å; G110-Q150 PolarHBondContact O-NE2 3.22Å; G110-Q150 VanDerWaalsContact O-NE2 3.14Å |
| 111 | V | 96.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.2 | 168.4 | 58.8 | 0 | 0 | 0 | 0 | 108.5 | R70 C72 I75 I77 E95 V96 L125 S126 | R70-V111 HydrophobicContact CB-CG2 3.63Å; R70-V111 HydrophobicContact CG-CG2 3.54Å; C72-V111 HydrophobicContact CB-CB 4.17Å; I75-V111 HydrophobicContact CB-CG1 4.44Å; I75-V111 HydrophobicContact CG2-CG1 3.93Å; I77-V111 HydrophobicContact CB-CG1 4.11Å; I77-V111 HydrophobicContact CG2-CB 4.46Å; I77-V111 HydrophobicContact CG2-CG1 4Å; I77-V111 HydrophobicContact CG2-CG2 3.71Å; E95-V111 WeakPolarHBondContact O-CA 3.47Å; V96-V111 HydrophobicContact CG1-CB 4.09Å; V96-V111 HydrophobicContact CG1-CG2 3.73Å; V111-L125 WeakPolarHBondContact O-CA 3.03Å; V111-S126 PolarHBondContact N-O 3.34Å; V111-S126 PolarHBondContact O-N 2.93Å |
| 112 | S | 98.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.4 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | S94 E95 F124 Q150 F152 | S94-S112 CarbonylContact C-O 3.6Å; S94-S112 WeakPolarHBondContact CA-O 3.39Å; S94-S112 WeakPolarHBondContact CB-O 3.29Å; E95-S112 PolarHBondContact N-O 2.86Å; E95-S112 PolarHBondContact N-OG 3.01Å; E95-S112 PolarHBondContact O-N 3.23Å; S112-F124 CarbonylContact C-O 3.35Å; S112-F124 WeakPolarHBondContact CA-O 3.41Å; S112-Q150 PolarHBondContact OG-OE1 2.97Å; S112-F152 WeakPolarHBondContact OG-CZ 3.39Å |
| 113 | A | 98.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K68 I77 E93 F124 | K68-A113 HydrophobicContact CB-CB 4.32Å; K68-A113 HydrophobicContact CG-CB 3.93Å; I77-A113 HydrophobicContact CG1-CB 4.08Å; I77-A113 HydrophobicContact CG2-CB 3.98Å; E93-A113 WeakPolarHBondContact O-CA 3.3Å; A113-F124 PolarHBondContact N-O 3.35Å; A113-F124 PolarHBondContact O-N 3.45Å |
| 114 | R | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | 179.4 | 68.2 | 86.5 | 68 | -164.9 | 4.5 | 111.4 | N91 I92 E93 N121 M122 I123 F152 V157 H163 | N91-R114 WeakPolarHBondContact O-CD 3.12Å; N91-R114 PolarHBondContact O-NH1 2.68Å; I92-R114 WeakPolarHBondContact CA-O 3.34Å; E93-R114 HydrophobicContact CB-CG 3.99Å; E93-R114 PolarHBondContact N-O 3.36Å; E93-R114 PolarHBondContact O-N 3.46Å; R114-N121 PolarHBondContact NH2-OD1 2.87Å; R114-M122 VanDerWaalsContact CA-O 3.26Å; R114-M122 WeakPolarHBondContact CA-O 3.28Å; R114-M122 WeakPolarHBondContact CB-O 3.39Å; R114-I123 HydrophobicContact CB-CB 3.88Å; R114-I123 HydrophobicContact CB-CD1 4.32Å; R114-I123 HydrophobicContact CB-CG1 3.95Å; R114-F152 HydrophobicContact CB-CE1 4.47Å; R114-F152 HydrophobicContact CG-CD1 3.49Å; R114-F152 VanDerWaalsContact CG-CD1 3.49Å; R114-F152 HydrophobicContact CG-CE1 3.64Å; R114-F152 HydrophobicContact CG-CG 4.02Å; R114-F152 HydrophobicContact CG-CZ 4.31Å; R114-V157 VanDerWaalsContact NH2-CG1 3.32Å; R114-H163 PolarHBondContact NE-NE2 2.86Å |
| 115 | F | 95 | Very high | 88.4 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 160.5 | 173.6 | 50.1 | -91.7 | 0 | 0 | 0 | 110.9 | V37 I67 V89 N91 I92 L117 M122 F124 | V37-F115 HydrophobicContact CG1-CZ 3.8Å; V37-F115 HydrophobicContact CG2-CE2 4.43Å; V37-F115 HydrophobicContact CG2-CZ 4.41Å; I67-F115 HydrophobicContact CD1-CD1 3.67Å; I67-F115 HydrophobicContact CD1-CD2 4.25Å; I67-F115 HydrophobicContact CD1-CE1 3.71Å; I67-F115 HydrophobicContact CD1-CE2 4.27Å; I67-F115 HydrophobicContact CD1-CG 3.95Å; I67-F115 HydrophobicContact CD1-CZ 4Å; V89-F115 HydrophobicContact CG2-CB 3.91Å; V89-F115 HydrophobicContact CG2-CD2 3.82Å; V89-F115 HydrophobicContact CG2-CG 4.07Å; N91-F115 WeakPolarHBondContact O-CA 3.35Å; I92-F115 HydrophobicContact CB-CB 4.43Å; I92-F115 HydrophobicContact CG1-CB 3.98Å; F115-L117 HydrophobicContact CD2-CB 3.96Å; F115-L117 HydrophobicContact CE2-CB 3.99Å; F115-L117 HydrophobicContact CE2-CD2 4.33Å; F115-M122 HydrophobicContact CD2-CG 4.23Å; F115-M122 HydrophobicContact CE2-CG 3.91Å; F115-M122 HydrophobicContact CE2-SD 3.79Å; F115-M122 HydrophobicContact CZ-CG 4.46Å; F115-M122 HydrophobicContact CZ-SD 4.29Å; F115-M122 PolarHBondContact N-O 2.75Å; F115-M122 PolarHBondContact O-N 2.63Å; F115-F124 AromaticContact CE1-CD2 3.99Å; F115-F124 HydrophobicContact CE1-CD2 3.99Å; F115-F124 AromaticContact CE1-CE2 3.69Å; F115-F124 HydrophobicContact CE1-CE2 3.69Å; F115-F124 HydrophobicContact CZ-CD2 4.32Å; F115-F124 AromaticContact CZ-CE2 3.55Å; F115-F124 HydrophobicContact CZ-CE2 3.55Å; F115-F124 HydrophobicContact CZ-CZ 4.38Å |
| 116 | E | 89.8 | Confident | 90.4 | Very high | 16 Ų | 16 | 8.2 Ų | 8.2 | 8% | 0.075 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.9 | 168.7 | -179.1 | -176.1 | 155.3 | 0 | 0 | 108.7 | V89 T90 N91 G119 I120 R284 | V89-E116 CarbonylContact C-O 3.58Å; V89-E116 VanDerWaalsContact CA-O 3.29Å; V89-E116 WeakPolarHBondContact CA-O 3.4Å; T90-E116 HydrophobicContact CG2-CB 3.78Å; T90-E116 HydrophobicContact CG2-CG 4.1Å; T90-E116 PolarHBondContact N-O 3Å; T90-E116 PolarHBondContact O-N 3.25Å; N91-E116 HydrophobicContact CB-CB 4.3Å; N91-E116 PolarHBondContact ND2-OE2 3.29Å; E116-G119 WeakPolarHBondContact OE1-CA 3.37Å; E116-I120 CarbonylContact C-O 3.54Å; E116-I120 VanDerWaalsContact CA-O 3.22Å; E116-I120 WeakPolarHBondContact CA-O 3.43Å; E116-R284 IonicContact OE1-CZ 2.96Å; E116-R284 IonicContact OE1-NH1 3.9Å; E116-R284 PolarHBondContact OE1-NH1 2.86Å |
| 117 | L | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.8 | 176.9 | 175.1 | 62.1 | 0 | 0 | 0 | 109.7 | L4 V37 L81 L85 A88 V89 F115 G119 I120 M122 | L4-L117 HydrophobicContact CD1-CD2 3.65Å; L4-L117 HydrophobicContact CD1-CG 3.95Å; L4-L117 HydrophobicContact CD2-CD2 4.36Å; V37-L117 HydrophobicContact CG2-CD2 3.53Å; L81-L117 HydrophobicContact CD1-CD1 4.1Å; L81-L117 HydrophobicContact CD1-CD2 3.68Å; L81-L117 HydrophobicContact CD2-CD1 4.38Å; L85-L117 HydrophobicContact CB-CD1 4.18Å; A88-L117 HydrophobicContact CB-CD1 3.88Å; A88-L117 WeakPolarHBondContact O-CA 3.1Å; V89-L117 HydrophobicContact CB-CD1 4.26Å; F115-L117 HydrophobicContact CD2-CB 3.96Å; F115-L117 HydrophobicContact CE2-CB 3.99Å; F115-L117 HydrophobicContact CE2-CD2 4.33Å; L117-G119 PolarHBondContact O-N 3.05Å; L117-I120 PolarHBondContact N-O 3.08Å; L117-I120 VanDerWaalsContact O-CB 3.32Å; L117-I120 WeakPolarHBondContact O-CB 3.31Å; L117-I120 PolarHBondContact O-N 3.12Å; L117-M122 HydrophobicContact CB-SD 4.45Å |
| 118 | C | 84.3 | Confident | 93.3 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.5 | -177.8 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | A88 I120 W339 | A88-C118 PolarHBondContact O-N 3.11Å; C118-I120 VanDerWaalsContact C-N 3.33Å; C118-W339 VanDerWaalsContact C-CG 3.47Å; C118-W339 VanDerWaalsContact CA-CD2 3.47Å; C118-W339 HydrophobicContact CB-CD2 4.05Å; C118-W339 HydrophobicContact CB-CG 4.14Å; C118-W339 HydrophobicContact CB-CZ2 4.41Å; C118-W339 VanDerWaalsContact O-CB 3.22Å; C118-W339 WeakPolarHBondContact O-CB 3.45Å; C118-W339 VanDerWaalsContact O-CG 3.27Å |
| 119 | G | 79 | Confident | 93.7 | Very high | 19 Ų | 19 | 3.2 Ų | 3.2 | 20% | 0.196 | 2% | 0.021 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 4.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E116 L117 | E116-G119 WeakPolarHBondContact OE1-CA 3.37Å; L117-G119 PolarHBondContact O-N 3.05Å |
| 120 | I | 86.1 | Confident | 93.9 | Very high | 5 Ų | 5 | 4.3 Ų | 4.3 | 3% | 0.026 | 3% | 0.027 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.2 | -179.1 | -58.3 | 169.9 | 0 | 0 | 0 | 109.3 | E116 L117 C118 M122 D164 Y165 V335 P336 | E116-I120 CarbonylContact C-O 3.54Å; E116-I120 VanDerWaalsContact CA-O 3.22Å; E116-I120 WeakPolarHBondContact CA-O 3.43Å; L117-I120 PolarHBondContact N-O 3.08Å; L117-I120 VanDerWaalsContact O-CB 3.32Å; L117-I120 WeakPolarHBondContact O-CB 3.31Å; L117-I120 PolarHBondContact O-N 3.12Å; C118-I120 VanDerWaalsContact C-N 3.33Å; I120-M122 HydrophobicContact CG2-CE 3.92Å; I120-D164 HydrophobicContact CG2-CB 3.91Å; I120-Y165 HydrophobicContact CD1-CE2 4.33Å; I120-Y165 HydrophobicContact CG2-CD2 3.36Å; I120-Y165 HydrophobicContact CG2-CE2 3.44Å; I120-Y165 VanDerWaalsContact CG2-CE2 3.44Å; I120-V335 HydrophobicContact CD1-CB 3.59Å; I120-V335 HydrophobicContact CD1-CG1 3.37Å; I120-P336 HydrophobicContact CG1-CG 4.35Å |
| 121 | N | 88.6 | Confident | 93.9 | Very high | 20 Ų | 20 | 5.5 Ų | 5.5 | 11% | 0.107 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.8 | 173.6 | -65 | -85.2 | 0 | 0 | 0 | 109.7 | R114 V157 D164 Y165 | R114-N121 PolarHBondContact NH2-OD1 2.87Å; N121-V157 HydrophobicContact CB-CG1 4.04Å; N121-V157 HydrophobicContact CB-CG2 4.14Å; N121-D164 PolarHBondContact N-OD2 2.87Å; N121-D164 WeakPolarHBondContact O-CB 3.29Å; N121-D164 PolarHBondContact O-N 2.8Å; N121-Y165 PolarHBondContact O-N 3.03Å |
| 122 | M | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 145 | 178.4 | 32.1 | 178.9 | 56.8 | 0 | 0 | 110.9 | V6 R114 F115 L117 I120 F124 Y165 L333 | V6-M122 HydrophobicContact CG2-CE 4.43Å; R114-M122 VanDerWaalsContact CA-O 3.26Å; R114-M122 WeakPolarHBondContact CA-O 3.28Å; R114-M122 WeakPolarHBondContact CB-O 3.39Å; F115-M122 HydrophobicContact CD2-CG 4.23Å; F115-M122 HydrophobicContact CE2-CG 3.91Å; F115-M122 HydrophobicContact CE2-SD 3.79Å; F115-M122 HydrophobicContact CZ-CG 4.46Å; F115-M122 HydrophobicContact CZ-SD 4.29Å; F115-M122 PolarHBondContact N-O 2.75Å; F115-M122 PolarHBondContact O-N 2.63Å; L117-M122 HydrophobicContact CB-SD 4.45Å; I120-M122 HydrophobicContact CG2-CE 3.92Å; M122-F124 HydrophobicContact CB-CE2 4.34Å; M122-F124 HydrophobicContact SD-CE2 4.49Å; M122-F124 HydrophobicContact SD-CZ 4.48Å; M122-Y165 WeakPolarHBondContact CA-O 3.36Å; M122-Y165 HydrophobicContact CE-CD2 3.89Å; M122-L333 HydrophobicContact CE-CD1 3.24Å |
| 123 | I | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.4 | -178.7 | -176.6 | 170.1 | 0 | 0 | 0 | 110.4 | R114 L125 F152 I160 H163 Y165 V166 F167 | R114-I123 HydrophobicContact CB-CB 3.88Å; R114-I123 HydrophobicContact CB-CD1 4.32Å; R114-I123 HydrophobicContact CB-CG1 3.95Å; I123-L125 HydrophobicContact CD1-CD1 4.38Å; I123-L125 HydrophobicContact CG1-CD1 4.1Å; I123-L125 HydrophobicContact CG2-CD1 4.43Å; I123-F152 HydrophobicContact CD1-CE1 4.32Å; I123-F152 HydrophobicContact CD1-CE2 3.58Å; I123-F152 HydrophobicContact CD1-CZ 3.34Å; I123-I160 HydrophobicContact CD1-CB 4.47Å; I123-I160 HydrophobicContact CD1-CG1 4Å; I123-I160 HydrophobicContact CD1-CG2 4.47Å; I123-H163 HydrophobicContact CB-CB 4.34Å; I123-H163 HydrophobicContact CG2-CB 3.65Å; I123-H163 VanDerWaalsContact CG2-CG 3.48Å; I123-Y165 PolarHBondContact N-O 3.32Å; I123-V166 HydrophobicContact CG2-CB 3.96Å; I123-V166 HydrophobicContact CG2-CG1 3.83Å; I123-V166 HydrophobicContact CG2-CG2 3.7Å; I123-F167 PolarHBondContact O-N 2.97Å |
| 124 | F | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.9 | 178.5 | -59.5 | -92.1 | 0 | 0 | 0 | 108.6 | V6 V37 S39 I77 S112 A113 F115 M122 F167 M169 | V6-F124 HydrophobicContact CG1-CE1 3.54Å; V6-F124 HydrophobicContact CG1-CZ 3.71Å; V37-F124 HydrophobicContact CG1-CE2 4.24Å; V37-F124 HydrophobicContact CG1-CZ 3.83Å; S39-F124 VanDerWaalsContact OG-CB 3.27Å; S39-F124 WeakPolarHBondContact OG-CB 3.28Å; S39-F124 WeakPolarHBondContact OG-CD1 3.29Å; S39-F124 VanDerWaalsContact OG-CG 3.26Å; S39-F124 WeakPolarHBondContact OG-CG 3.26Å; I77-F124 HydrophobicContact CD1-CB 4.15Å; I77-F124 HydrophobicContact CG1-CB 4.48Å; S112-F124 CarbonylContact C-O 3.35Å; S112-F124 WeakPolarHBondContact CA-O 3.41Å; A113-F124 PolarHBondContact N-O 3.35Å; A113-F124 PolarHBondContact O-N 3.45Å; F115-F124 AromaticContact CE1-CD2 3.99Å; F115-F124 HydrophobicContact CE1-CD2 3.99Å; F115-F124 AromaticContact CE1-CE2 3.69Å; F115-F124 HydrophobicContact CE1-CE2 3.69Å; F115-F124 HydrophobicContact CZ-CD2 4.32Å; F115-F124 AromaticContact CZ-CE2 3.55Å; F115-F124 HydrophobicContact CZ-CE2 3.55Å; F115-F124 HydrophobicContact CZ-CZ 4.38Å; M122-F124 HydrophobicContact CB-CE2 4.34Å; M122-F124 HydrophobicContact SD-CE2 4.49Å; M122-F124 HydrophobicContact SD-CZ 4.48Å; F124-F167 CarbonylContact C-O 3.53Å; F124-F167 WeakPolarHBondContact CA-O 3.44Å; F124-F167 HydrophobicContact CD1-CB 3.76Å; F124-F167 AromaticContact CD1-CD2 3.63Å; F124-F167 HydrophobicContact CD1-CD2 3.63Å; F124-F167 AromaticContact CD1-CG 3.96Å; F124-F167 HydrophobicContact CD1-CG 3.96Å; F124-F167 HydrophobicContact CE1-CB 4.18Å; F124-F167 AromaticContact CE1-CD2 3.25Å; F124-F167 HydrophobicContact CE1-CD2 3.25Å; F124-F167 AromaticContact CE1-CE2 3.8Å; F124-F167 HydrophobicContact CE1-CE2 3.8Å; F124-F167 AromaticContact CE1-CG 3.86Å; F124-F167 HydrophobicContact CE1-CG 3.86Å; F124-F167 HydrophobicContact CE2-CD2 4.47Å; F124-F167 HydrophobicContact CG-CD2 4.39Å; F124-F167 AromaticContact CZ-CD2 3.73Å; F124-F167 HydrophobicContact CZ-CD2 3.73Å; F124-F167 AromaticContact CZ-CE2 3.94Å; F124-F167 HydrophobicContact CZ-CE2 3.94Å; F124-M169 HydrophobicContact CB-CE 3.79Å; F124-M169 HydrophobicContact CD1-CE 4.06Å; F124-M169 HydrophobicContact CG-CE 4.43Å |
| 125 | L | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.6 | 177 | -59.3 | 93.6 | 0 | 0 | 0 | 109.9 | V111 I123 I146 I160 V166 F167 W168 M169 | V111-L125 WeakPolarHBondContact O-CA 3.03Å; I123-L125 HydrophobicContact CD1-CD1 4.38Å; I123-L125 HydrophobicContact CG1-CD1 4.1Å; I123-L125 HydrophobicContact CG2-CD1 4.43Å; L125-I146 HydrophobicContact CD2-CG2 3.87Å; L125-I160 HydrophobicContact CD1-CG2 4.12Å; L125-I160 HydrophobicContact CD2-CD1 3.74Å; L125-I160 HydrophobicContact CD2-CG1 4.23Å; L125-I160 HydrophobicContact CD2-CG2 4.38Å; L125-V166 HydrophobicContact CD1-CG1 3.75Å; L125-F167 PolarHBondContact N-O 2.82Å; L125-W168 HydrophobicContact CB-CD2 4.35Å; L125-W168 HydrophobicContact CB-CG 4.46Å; L125-W168 HydrophobicContact CD1-CE3 4.11Å; L125-W168 HydrophobicContact CD2-CD2 4.24Å; L125-W168 HydrophobicContact CD2-CE3 3.79Å; L125-W168 HydrophobicContact CD2-CH2 4.2Å; L125-W168 HydrophobicContact CD2-CZ3 3.77Å; L125-W168 HydrophobicContact CG-CE3 4.39Å; L125-M169 WeakPolarHBondContact O-CA 3.21Å; L125-M169 VanDerWaalsContact O-CB 3.3Å; L125-M169 WeakPolarHBondContact O-CB 3.48Å; L125-M169 WeakPolarHBondContact O-CE 3.43Å; L125-M169 PolarHBondContact O-N 2.74Å; L125-M169 VanDerWaalsContact O-O 3.13Å |
| 126 | S | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.5 | 165.9 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | A41 Q43 I75 W76 G110 V111 M169 | A41-S126 VanDerWaalsContact CB-CB 3.45Å; A41-S126 WeakPolarHBondContact CB-OG 3.42Å; Q43-S126 PolarHBondContact NE2-OG 3.18Å; I75-S126 VanDerWaalsContact CG2-O 3.31Å; I75-S126 WeakPolarHBondContact CG2-O 3.1Å; I75-S126 WeakPolarHBondContact CG2-OG 3.3Å; W76-S126 WeakPolarHBondContact O-CB 3.07Å; W76-S126 PolarHBondContact O-OG 2.83Å; G110-S126 WeakPolarHBondContact CA-O 3.41Å; V111-S126 PolarHBondContact N-O 3.34Å; V111-S126 PolarHBondContact O-N 2.93Å; S126-M169 CarbonylContact C-O 3.56Å; S126-M169 WeakPolarHBondContact CA-O 3.21Å |
| 127 | C | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.9 | -174.8 | -62 | 0 | 0 | 0 | 0 | 111.8 | Q43 G109 F129 I146 W168 M169 G170 D171 L172 | Q43-C127 WeakPolarHBondContact CG-O 3.38Å; G109-C127 VanDerWaalsContact O-CA 3.3Å; G109-C127 WeakPolarHBondContact O-CA 3.36Å; C127-F129 HydrophobicContact CB-CD1 4.01Å; C127-F129 HydrophobicContact CB-CE1 3.73Å; C127-I146 HydrophobicContact CB-CD1 4.49Å; C127-W168 VanDerWaalsContact SG-CE2 3.54Å; C127-W168 PolarHBondContact SG-NE1 2.79Å; C127-M169 PolarHBondContact N-O 3.08Å; C127-G170 CarbonylContact O-C 3.55Å; C127-G170 WeakPolarHBondContact O-CA 3.41Å; C127-D171 PolarHBondContact O-N 3.41Å; C127-D171 VanDerWaalsContact O-N 3.09Å; C127-L172 HydrophobicContact CB-CD2 4.03Å |
| 128 | H | 97.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.032 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 103.7 | 168.2 | -169.1 | 168.3 | 0 | 0 | 0 | 107.6 | Q43 E44 I75 K108 G109 D171 N173 | Q43-H128 HydrophobicContact CB-CB 4.41Å; Q43-H128 HydrophobicContact CG-CB 3.97Å; E44-H128 IonicContact OE1-CE1 3.5Å; E44-H128 PolarHBondContact OE1-CE1 2.81Å; E44-H128 VanDerWaalsContact OE1-CE1 3.32Å; E44-H128 IonicContact OE1-NE2 2.76Å; I75-H128 HydrophobicContact CD1-CB 3.58Å; I75-H128 HydrophobicContact CG1-CB 3.74Å; K108-H128 VanDerWaalsContact CA-O 3.28Å; K108-H128 WeakPolarHBondContact CA-O 3.42Å; K108-H128 WeakPolarHBondContact CB-O 3.28Å; K108-H128 HydrophobicContact CD-CB 4.38Å; K108-H128 WeakPolarHBondContact CD-O 3.44Å; K108-H128 WeakPolarHBondContact CE-NE2 3.38Å; K108-H128 PolarHBondContact NZ-CD2 2.81Å; K108-H128 PolarHBondContact NZ-CE1 2.93Å; K108-H128 PolarHBondContact NZ-NE2 3.35Å; G109-H128 PolarHBondContact N-O 3.23Å; G109-H128 PolarHBondContact O-N 2.76Å; H128-D171 CarbonylContact C-O 3.32Å; H128-D171 WeakPolarHBondContact CA-O 3.3Å; H128-D171 IonicContact CD2-OD2 3.68Å; H128-D171 IonicContact NE2-OD2 3.91Å; H128-D171 PolarHBondContact NE2-OD2 3.15Å; H128-N173 PolarHBondContact CD2-ND2 2.88Å; H128-N173 VanDerWaalsContact CD2-ND2 3.27Å; H128-N173 PolarHBondContact NE2-ND2 3.13Å |
| 129 | F | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -88.8 | 161.7 | -176.6 | -75.2 | 6.7 | 0 | 0 | 0 | 112.3 | K108 C127 A131 R139 D142 I146 W168 D171 L172 N173 F174 F212 | K108-F129 VanDerWaalsContact CD-C 3.5Å; K108-F129 VanDerWaalsContact CD-O 3.27Å; K108-F129 WeakPolarHBondContact CD-O 3.33Å; K108-F129 VanDerWaalsContact CE-O 3.3Å; K108-F129 WeakPolarHBondContact CE-O 3.48Å; C127-F129 HydrophobicContact CB-CD1 4.01Å; C127-F129 HydrophobicContact CB-CE1 3.73Å; F129-A131 PolarHBondContact O-N 2.8Å; F129-R139 HydrophobicContact CB-CG 4.02Å; F129-R139 HydrophobicContact CD2-CB 4.23Å; F129-D142 HydrophobicContact CD1-CB 3.89Å; F129-D142 HydrophobicContact CE1-CB 4.14Å; F129-D142 HydrophobicContact CG-CB 4.14Å; F129-I146 HydrophobicContact CD1-CD1 4.47Å; F129-I146 HydrophobicContact CE1-CD1 3.6Å; F129-I146 HydrophobicContact CZ-CD1 4.39Å; F129-W168 HydrophobicContact CE1-CZ2 4.01Å; F129-W168 AromaticContact CZ-CZ2 3.68Å; F129-W168 HydrophobicContact CZ-CZ2 3.68Å; F129-W168 AromaticContact CZ-NE1 3.91Å; F129-D171 PolarHBondContact N-O 2.75Å; F129-L172 WeakPolarHBondContact CB-O 3.46Å; F129-L172 HydrophobicContact CD1-CD2 4.33Å; F129-L172 HydrophobicContact CD2-CB 4.12Å; F129-L172 HydrophobicContact CD2-CD2 4.15Å; F129-L172 HydrophobicContact CE1-CD2 4.27Å; F129-L172 HydrophobicContact CE2-CD2 4.12Å; F129-L172 HydrophobicContact CG-CD2 4.26Å; F129-L172 HydrophobicContact CZ-CD2 4.19Å; F129-N173 WeakPolarHBondContact O-CB 3.18Å; F129-N173 PolarHBondContact O-ND2 2.86Å; F129-F174 AromaticContact CD2-CE2 3.97Å; F129-F174 HydrophobicContact CD2-CE2 3.97Å; F129-F174 HydrophobicContact CD2-CZ 4.4Å; F129-F174 HydrophobicContact CE2-CE2 4.25Å; F129-F212 HydrophobicContact CE2-CE2 4.19Å; F129-F212 HydrophobicContact CE2-CZ 4.25Å; F129-F212 HydrophobicContact CZ-CZ 4.23Å | ||
| 130 | T | 95.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 14% | 0.141 | 16% | 0.159 | C | C | . | . | trans | -54.4 | 126.9 | -175.1 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | N135 D138 R139 D142 N173 | T130-N135 HydrophobicContact CG2-CB 3.74Å; T130-D138 HydrophobicContact CG2-CB 3.7Å; T130-R139 WeakPolarHBondContact O-CD 3.21Å; T130-R139 VanDerWaalsContact O-CG 3.25Å; T130-R139 WeakPolarHBondContact O-CG 3.26Å; T130-R139 PolarHBondContact O-NH1 3.5Å; T130-D142 VanDerWaalsContact CB-OD2 3.29Å; T130-D142 WeakPolarHBondContact CB-OD2 3.13Å; T130-D142 PolarHBondContact N-OD2 2.62Å; T130-D142 PolarHBondContact OG1-OD2 2.73Å; T130-N173 WeakPolarHBondContact O-CB 3.48Å | ||
| 131 | A | 93.5 | Very high | 95 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 21% | 0.207 | 17% | 0.174 | C | C | . | . | trans | -76.1 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F129 N135 | F129-A131 PolarHBondContact O-N 2.8Å; A131-N135 WeakPolarHBondContact O-CB 3.19Å; A131-N135 PolarHBondContact O-ND2 2.97Å | ||
| 132 | H | 92.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 34.9 Ų | 34.9 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 75.5 | 150.6 | -180 | -55.9 | -106.7 | 0 | 0 | 0 | 115.3 | E134 R139 R242 | H132-E134 WeakPolarHBondContact CB-OE1 3.16Å; H132-E134 WeakPolarHBondContact CB-OE2 3.36Å; H132-E134 IonicContact CG-OE1 3.99Å; H132-E134 IonicContact ND1-OE1 3.64Å; H132-E134 PolarHBondContact O-N 3.21Å; H132-R139 PolarHBondContact O-NH1 3.35Å; H132-R139 PolarHBondContact O-NH2 3.35Å; H132-R242 PolarHBondContact CE1-NH2 2.82Å |
| 133 | R | 94.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 30% | 0.298 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -70.7 | -37.3 | -166.9 | 177.1 | 171.3 | 163.2 | -174.6 | -21.7 | 112 | N135 R139 R175 I176 D177 L179 Q201 | R133-N135 VanDerWaalsContact C-N 3.34Å; R133-N135 PolarHBondContact O-N 3.18Å; R133-R139 PolarHBondContact O-NH2 3.09Å; R133-R175 HydrophobicContact CB-CB 4.04Å; R133-R175 HydrophobicContact CB-CG 4.03Å; R133-R175 HydrophobicContact CG-CB 4Å; R133-I176 WeakPolarHBondContact CD-O 3.39Å; R133-I176 PolarHBondContact NE-O 2.86Å; R133-I176 VanDerWaalsContact NE-O 3.07Å; R133-I176 PolarHBondContact NH1-O 2.99Å; R133-D177 IonicContact CZ-OD1 3.11Å; R133-D177 IonicContact NE-OD1 3.21Å; R133-D177 PolarHBondContact NE-OD1 3.45Å; R133-D177 IonicContact NH2-OD1 2.58Å; R133-L179 PolarHBondContact NH1-O 3.45Å; R133-L179 VanDerWaalsContact NH1-O 3.15Å; R133-Q201 PolarHBondContact O-NE2 3.07Å |
| 134 | E | 95 | Very high | 94.7 | Very high | 135 Ų | 135 | 38.7 Ų | 38.7 | 63% | 0.631 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -68.4 | -25.7 | -178 | 58.9 | -85.3 | -158.5 | 0 | 0 | 114 | H132 K136 | H132-E134 WeakPolarHBondContact CB-OE1 3.16Å; H132-E134 WeakPolarHBondContact CB-OE2 3.36Å; H132-E134 IonicContact CG-OE1 3.99Å; H132-E134 IonicContact ND1-OE1 3.64Å; H132-E134 PolarHBondContact O-N 3.21Å; E134-K136 PolarHBondContact O-N 3.46Å |
| 135 | N | 94.7 | Very high | 94.3 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | trans | -85.1 | 42.3 | -170 | -64.3 | -20.2 | 0 | 0 | 0 | 114 | T130 A131 R133 Q137 D138 R139 | T130-N135 HydrophobicContact CG2-CB 3.74Å; A131-N135 WeakPolarHBondContact O-CB 3.19Å; A131-N135 PolarHBondContact O-ND2 2.97Å; R133-N135 VanDerWaalsContact C-N 3.34Å; R133-N135 PolarHBondContact O-N 3.18Å; N135-Q137 VanDerWaalsContact C-N 3.32Å; N135-Q137 PolarHBondContact O-N 3.04Å; N135-D138 HydrophobicContact CB-CB 4.2Å; N135-D138 WeakPolarHBondContact CB-OD2 3.28Å; N135-D138 PolarHBondContact O-N 3.28Å; N135-D138 PolarHBondContact OD1-OD2 3.35Å; N135-R139 PolarHBondContact O-N 2.95Å; N135-R139 VanDerWaalsContact O-N 3.15Å; N135-R139 PolarHBondContact O-NH1 3.23Å | ||
| 136 | K | 95.2 | Very high | 93.9 | Very high | 78 Ų | 78 | 41.5 Ų | 41.5 | 34% | 0.339 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.9 | -74.5 | -170.5 | -76 | -162.7 | 0 | 112.3 | E134 R139 L140 D177 Q201 M205 | E134-K136 PolarHBondContact O-N 3.46Å; K136-R139 PolarHBondContact O-N 3.29Å; K136-L140 PolarHBondContact O-N 3.19Å; K136-L140 VanDerWaalsContact O-N 3.1Å; K136-D177 IonicContact NZ-OD2 2.78Å; K136-D177 PolarHBondContact NZ-OD2 3.26Å; K136-Q201 HydrophobicContact CD-CB 4.26Å; K136-Q201 HydrophobicContact CD-CG 3.84Å; K136-Q201 HydrophobicContact CG-CG 4.29Å; K136-M205 HydrophobicContact CB-CE 4.39Å; K136-M205 HydrophobicContact CB-SD 3.96Å; K136-M205 HydrophobicContact CD-SD 4.03Å; K136-M205 HydrophobicContact CG-SD 4.11Å |
| 137 | Q | 93.6 | Very high | 93.3 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 52% | 0.523 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.3 | -40.4 | 179.3 | -174.4 | 59 | 48.4 | 0 | 0 | 111.6 | N135 R139 L140 N141 | N135-Q137 VanDerWaalsContact C-N 3.32Å; N135-Q137 PolarHBondContact O-N 3.04Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; Q137-L140 WeakPolarHBondContact O-CB 3.33Å; Q137-L140 PolarHBondContact O-N 3.23Å; Q137-L140 VanDerWaalsContact O-N 3.15Å; Q137-N141 PolarHBondContact NE2-OD1 2.61Å; Q137-N141 VanDerWaalsContact NE2-OD1 3.07Å; Q137-N141 VanDerWaalsContact O-CG 3.23Å; Q137-N141 PolarHBondContact O-N 3.35Å; Q137-N141 PolarHBondContact O-ND2 2.83Å; Q137-N141 PolarHBondContact O-OD1 3.22Å |
| 138 | D | 93.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 177.5 | -57.9 | -38.9 | 0 | 0 | 0 | 111.5 | T130 N135 L140 N141 D142 | T130-D138 HydrophobicContact CG2-CB 3.7Å; N135-D138 HydrophobicContact CB-CB 4.2Å; N135-D138 WeakPolarHBondContact CB-OD2 3.28Å; N135-D138 PolarHBondContact O-N 3.28Å; N135-D138 PolarHBondContact OD1-OD2 3.35Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 2.81Å; D138-N141 WeakPolarHBondContact O-CB 3.38Å; D138-N141 PolarHBondContact O-N 2.85Å; D138-N141 VanDerWaalsContact O-N 3.15Å; D138-D142 VanDerWaalsContact O-CG 3.31Å; D138-D142 PolarHBondContact O-N 3.24Å |
| 139 | R | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -34.4 | 172.7 | -69.4 | -167.7 | -82.3 | -73.7 | -0.8 | 113.2 | F129 T130 H132 R133 N135 K136 Q137 Y143 L172 N173 F174 | F129-R139 HydrophobicContact CB-CG 4.02Å; F129-R139 HydrophobicContact CD2-CB 4.23Å; T130-R139 WeakPolarHBondContact O-CD 3.21Å; T130-R139 VanDerWaalsContact O-CG 3.25Å; T130-R139 WeakPolarHBondContact O-CG 3.26Å; T130-R139 PolarHBondContact O-NH1 3.5Å; H132-R139 PolarHBondContact O-NH1 3.35Å; H132-R139 PolarHBondContact O-NH2 3.35Å; R133-R139 PolarHBondContact O-NH2 3.09Å; N135-R139 PolarHBondContact O-N 2.95Å; N135-R139 VanDerWaalsContact O-N 3.15Å; N135-R139 PolarHBondContact O-NH1 3.23Å; K136-R139 PolarHBondContact O-N 3.29Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; R139-Y143 PolarHBondContact O-N 2.85Å; R139-Y143 VanDerWaalsContact O-N 3.15Å; R139-L172 WeakPolarHBondContact CD-O 3.28Å; R139-N173 PolarHBondContact NH1-O 3.2Å; R139-F174 HydrophobicContact CB-CE1 4.05Å; R139-F174 HydrophobicContact CB-CZ 3.92Å |
| 140 | L | 93.6 | Very high | 92 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -42.5 | 172 | 174.2 | 59.3 | 0 | 0 | 0 | 110.7 | K136 Q137 D138 Y143 I144 M205 L210 L211 | K136-L140 PolarHBondContact O-N 3.19Å; K136-L140 VanDerWaalsContact O-N 3.1Å; Q137-L140 WeakPolarHBondContact O-CB 3.33Å; Q137-L140 PolarHBondContact O-N 3.23Å; Q137-L140 VanDerWaalsContact O-N 3.15Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 2.81Å; L140-Y143 HydrophobicContact CD1-CD1 4.44Å; L140-Y143 WeakPolarHBondContact O-CB 3.32Å; L140-Y143 PolarHBondContact O-N 3.35Å; L140-I144 HydrophobicContact CD1-CD1 4.05Å; L140-I144 HydrophobicContact CD1-CG1 4.33Å; L140-I144 HydrophobicContact CG-CD1 4.01Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 3.02Å; L140-M205 HydrophobicContact CB-CE 4.11Å; L140-L210 VanDerWaalsContact CD1-O 3.26Å; L140-L210 WeakPolarHBondContact CD1-O 3.43Å; L140-L211 HydrophobicContact CD1-CB 3.97Å; L140-L211 HydrophobicContact CD1-CD2 4.33Å |
| 141 | N | 91.7 | Very high | 91.8 | Very high | 61 Ų | 61 | 52.7 Ų | 52.7 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176 | -60.1 | -17.8 | 0 | 0 | 0 | 111.3 | Q137 D138 Y143 I144 D145 | Q137-N141 PolarHBondContact NE2-OD1 2.61Å; Q137-N141 VanDerWaalsContact NE2-OD1 3.07Å; Q137-N141 VanDerWaalsContact O-CG 3.23Å; Q137-N141 PolarHBondContact O-N 3.35Å; Q137-N141 PolarHBondContact O-ND2 2.83Å; Q137-N141 PolarHBondContact O-OD1 3.22Å; D138-N141 WeakPolarHBondContact O-CB 3.38Å; D138-N141 PolarHBondContact O-N 2.85Å; D138-N141 VanDerWaalsContact O-N 3.15Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 2.99Å; N141-I144 PolarHBondContact O-N 3.36Å; N141-I144 VanDerWaalsContact O-N 3.15Å; N141-D145 WeakPolarHBondContact O-CB 3.47Å; N141-D145 VanDerWaalsContact O-CG 3.31Å; N141-D145 PolarHBondContact O-N 3.42Å |
| 142 | D | 92.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.5 | -44.5 | 174.5 | -70.4 | -40.2 | 0 | 0 | 0 | 111.6 | S99 F129 T130 D138 I146 | S99-D142 VanDerWaalsContact CB-OD1 3.3Å; S99-D142 WeakPolarHBondContact CB-OD1 3.21Å; S99-D142 PolarHBondContact OG-OD1 3.41Å; F129-D142 HydrophobicContact CD1-CB 3.89Å; F129-D142 HydrophobicContact CE1-CB 4.14Å; F129-D142 HydrophobicContact CG-CB 4.14Å; T130-D142 VanDerWaalsContact CB-OD2 3.29Å; T130-D142 WeakPolarHBondContact CB-OD2 3.13Å; T130-D142 PolarHBondContact N-OD2 2.62Å; T130-D142 PolarHBondContact OG1-OD2 2.73Å; D138-D142 VanDerWaalsContact O-CG 3.31Å; D138-D142 PolarHBondContact O-N 3.24Å; D142-I146 WeakPolarHBondContact O-CD1 3.02Å; D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.5Å; D142-I146 PolarHBondContact O-N 3.43Å |
| 143 | Y | 92.7 | Very high | 91.2 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 176.1 | 167.6 | -98.5 | 0 | 0 | 0 | 112 | R139 L140 N141 I146 I147 W168 L211 F212 | R139-Y143 PolarHBondContact O-N 2.85Å; R139-Y143 VanDerWaalsContact O-N 3.15Å; L140-Y143 HydrophobicContact CD1-CD1 4.44Å; L140-Y143 WeakPolarHBondContact O-CB 3.32Å; L140-Y143 PolarHBondContact O-N 3.35Å; N141-Y143 VanDerWaalsContact C-N 3.29Å; N141-Y143 PolarHBondContact O-N 2.99Å; Y143-I146 PolarHBondContact O-N 3.28Å; Y143-I147 HydrophobicContact CD2-CG1 4.37Å; Y143-I147 HydrophobicContact CE1-CG1 4.26Å; Y143-I147 HydrophobicContact CE2-CD1 4.29Å; Y143-I147 HydrophobicContact CE2-CG1 3.94Å; Y143-I147 WeakPolarHBondContact O-CG1 3.45Å; Y143-I147 PolarHBondContact O-N 3.41Å; Y143-I147 VanDerWaalsContact O-N 3.13Å; Y143-W168 AromaticContact CD2-CH2 3.85Å; Y143-W168 HydrophobicContact CD2-CH2 3.85Å; Y143-W168 HydrophobicContact CD2-CZ2 4.12Å; Y143-W168 HydrophobicContact CD2-CZ3 4.33Å; Y143-W168 HydrophobicContact CE2-CH2 4.19Å; Y143-W168 HydrophobicContact CE2-CZ3 4.23Å; Y143-L211 HydrophobicContact CD1-CB 3.55Å; Y143-L211 HydrophobicContact CD2-CB 4.39Å; Y143-L211 HydrophobicContact CE1-CB 3.72Å; Y143-L211 HydrophobicContact CG-CB 3.91Å; Y143-L211 HydrophobicContact CG-CD1 4.27Å; Y143-F212 HydrophobicContact CD2-CD1 4Å; Y143-F212 HydrophobicContact CD2-CD2 4.36Å; Y143-F212 AromaticContact CD2-CE1 3.56Å; Y143-F212 HydrophobicContact CD2-CE1 3.56Å; Y143-F212 AromaticContact CD2-CE2 3.98Å; Y143-F212 HydrophobicContact CD2-CE2 3.98Å; Y143-F212 HydrophobicContact CD2-CG 4.37Å; Y143-F212 AromaticContact CD2-CZ 3.55Å; Y143-F212 HydrophobicContact CD2-CZ 3.55Å; Y143-F212 AromaticContact CE2-CD1 3.47Å; Y143-F212 HydrophobicContact CE2-CD1 3.47Å; Y143-F212 VanDerWaalsContact CE2-CD1 3.47Å; Y143-F212 HydrophobicContact CE2-CD2 4.43Å; Y143-F212 AromaticContact CE2-CE1 3.42Å; Y143-F212 HydrophobicContact CE2-CE1 3.42Å; Y143-F212 VanDerWaalsContact CE2-CE1 3.42Å; Y143-F212 HydrophobicContact CE2-CE2 4.4Å; Y143-F212 AromaticContact CE2-CG 3.99Å; Y143-F212 HydrophobicContact CE2-CG 3.99Å; Y143-F212 AromaticContact CE2-CZ 3.92Å; Y143-F212 HydrophobicContact CE2-CZ 3.92Å; Y143-F212 PolarHBondContact OH-N 3.01Å |
| 144 | I | 89.1 | Confident | 90.4 | Very high | 65 Ų | 65 | 50.7 Ų | 50.7 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 179.5 | -68.4 | 167.5 | 0 | 0 | 0 | 110.3 | L140 N141 I146 I147 D148 | L140-I144 HydrophobicContact CD1-CD1 4.05Å; L140-I144 HydrophobicContact CD1-CG1 4.33Å; L140-I144 HydrophobicContact CG-CD1 4.01Å; L140-I144 WeakPolarHBondContact O-CG1 3.43Å; L140-I144 PolarHBondContact O-N 3.02Å; N141-I144 PolarHBondContact O-N 3.36Å; N141-I144 VanDerWaalsContact O-N 3.15Å; I144-I146 VanDerWaalsContact C-N 3.28Å; I144-I146 PolarHBondContact O-N 2.84Å; I144-I147 PolarHBondContact O-N 3.22Å; I144-I147 VanDerWaalsContact O-N 3.12Å; I144-D148 WeakPolarHBondContact CG2-OD2 3.07Å; I144-D148 WeakPolarHBondContact O-CB 3.22Å; I144-D148 PolarHBondContact O-N 2.84Å |
| 145 | D | 89.1 | Confident | 89.5 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | -179.4 | -74.3 | -19.1 | 0 | 0 | 0 | 111.6 | T97 N141 D148 H149 | T97-D145 HydrophobicContact CG2-CB 4.24Å; N141-D145 WeakPolarHBondContact O-CB 3.47Å; N141-D145 VanDerWaalsContact O-CG 3.31Å; N141-D145 PolarHBondContact O-N 3.42Å; D145-D148 PolarHBondContact O-N 2.91Å; D145-H149 VanDerWaalsContact O-CB 3.28Å; D145-H149 WeakPolarHBondContact O-CB 3.46Å; D145-H149 PolarHBondContact O-N 3.05Å; D145-H149 PolarHBondContact O-ND1 3.36Å; D145-H149 IonicContact OD1-CE1 3.83Å |
| 146 | I | 90.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -44 | 178 | -68 | 160.1 | 0 | 0 | 0 | 111.2 | T97 L125 C127 F129 D142 Y143 I144 D148 Q150 I160 W168 | T97-I146 HydrophobicContact CG2-CG1 4.34Å; L125-I146 HydrophobicContact CD2-CG2 3.87Å; C127-I146 HydrophobicContact CB-CD1 4.49Å; F129-I146 HydrophobicContact CD1-CD1 4.47Å; F129-I146 HydrophobicContact CE1-CD1 3.6Å; F129-I146 HydrophobicContact CZ-CD1 4.39Å; D142-I146 WeakPolarHBondContact O-CD1 3.02Å; D142-I146 VanDerWaalsContact O-CG1 3.3Å; D142-I146 WeakPolarHBondContact O-CG1 3.5Å; D142-I146 PolarHBondContact O-N 3.43Å; Y143-I146 PolarHBondContact O-N 3.28Å; I144-I146 VanDerWaalsContact C-N 3.28Å; I144-I146 PolarHBondContact O-N 2.84Å; I146-D148 VanDerWaalsContact C-N 3.31Å; I146-D148 PolarHBondContact O-N 2.91Å; I146-Q150 HydrophobicContact CG2-CG 4.49Å; I146-Q150 PolarHBondContact O-N 2.97Å; I146-I160 HydrophobicContact CG2-CD1 3.83Å; I146-I160 WeakPolarHBondContact O-CD1 3.05Å; I146-W168 HydrophobicContact CB-CH2 3.8Å; I146-W168 HydrophobicContact CB-CZ2 4.21Å; I146-W168 HydrophobicContact CD1-CH2 4.32Å; I146-W168 HydrophobicContact CD1-CZ2 3.84Å; I146-W168 HydrophobicContact CG2-CH2 3.39Å; I146-W168 HydrophobicContact CG2-CZ2 3.91Å; I146-W168 HydrophobicContact CG2-CZ3 4.12Å |
| 147 | I | 87 | Confident | 87.6 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.1 | -71 | -68.9 | 0 | 0 | 0 | 111.4 | Y143 I144 I160 I161 W168 | Y143-I147 HydrophobicContact CD2-CG1 4.37Å; Y143-I147 HydrophobicContact CE1-CG1 4.26Å; Y143-I147 HydrophobicContact CE2-CD1 4.29Å; Y143-I147 HydrophobicContact CE2-CG1 3.94Å; Y143-I147 WeakPolarHBondContact O-CG1 3.45Å; Y143-I147 PolarHBondContact O-N 3.41Å; Y143-I147 VanDerWaalsContact O-N 3.13Å; I144-I147 PolarHBondContact O-N 3.22Å; I144-I147 VanDerWaalsContact O-N 3.12Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CD1-CG2 4.41Å; I147-I161 HydrophobicContact CD1-CG2 4.33Å; I147-W168 HydrophobicContact CD1-CH2 4.34Å; I147-W168 HydrophobicContact CD1-CZ3 3.79Å; I147-W168 HydrophobicContact CG1-CH2 4.31Å; I147-W168 HydrophobicContact CG1-CZ3 4.26Å |
| 148 | D | 86.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 35% | 0.353 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -82.6 | -29.8 | -172.8 | -73.1 | -14.7 | 0 | 0 | 0 | 113.4 | I144 D145 I146 | I144-D148 WeakPolarHBondContact CG2-OD2 3.07Å; I144-D148 WeakPolarHBondContact O-CB 3.22Å; I144-D148 PolarHBondContact O-N 2.84Å; D145-D148 PolarHBondContact O-N 2.91Å; I146-D148 VanDerWaalsContact C-N 3.31Å; I146-D148 PolarHBondContact O-N 2.91Å |
| 149 | H | 88 | Confident | 86.8 | Confident | 120 Ų | 120 | 43.1 Ų | 43.1 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -102.7 | -14.6 | -170.8 | -63.1 | 94.6 | 0 | 0 | 0 | 115.5 | T97 D145 | T97-H149 HydrophobicContact CG2-CB 4.06Å; D145-H149 VanDerWaalsContact O-CB 3.28Å; D145-H149 WeakPolarHBondContact O-CB 3.46Å; D145-H149 PolarHBondContact O-N 3.05Å; D145-H149 PolarHBondContact O-ND1 3.36Å; D145-H149 IonicContact OD1-CE1 3.83Å |
| 150 | Q | 90.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -90.7 | 119.6 | 176.3 | -60.7 | -162.9 | 6.6 | 0 | 0 | 112 | E95 T97 G110 S112 I146 I160 | E95-Q150 HydrophobicContact CB-CB 4.06Å; E95-Q150 HydrophobicContact CB-CG 4.08Å; T97-Q150 WeakPolarHBondContact OG1-CG 3.48Å; T97-Q150 PolarHBondContact OG1-NE2 3.42Å; G110-Q150 PolarHBondContact O-NE2 3.22Å; G110-Q150 VanDerWaalsContact O-NE2 3.14Å; S112-Q150 PolarHBondContact OG-OE1 2.97Å; I146-Q150 HydrophobicContact CG2-CG 4.49Å; I146-Q150 PolarHBondContact O-N 2.97Å; Q150-I160 HydrophobicContact CB-CD1 3.85Å; Q150-I160 HydrophobicContact CB-CG1 4.13Å; Q150-I160 HydrophobicContact CG-CD1 4.33Å | ||
| 151 | S | 89.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | B | Isolated β-bridge | trans | -138.8 | 147.8 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | E95 N158 | E95-S151 VanDerWaalsContact CG-O 3.27Å; E95-S151 WeakPolarHBondContact CG-O 3.31Å; S151-N158 CarbonylContact C-O 3.51Å; S151-N158 WeakPolarHBondContact CA-O 3.38Å |
| 152 | F | 87.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 41 Ų | 41 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | trans | -118.5 | 164.8 | -172.2 | -52.8 | -81 | 0 | 0 | 0 | 111.5 | E93 E95 S112 R114 I123 D154 N158 I160 H163 | E93-F152 HydrophobicContact CB-CD1 4.22Å; E95-F152 HydrophobicContact CB-CE1 3.85Å; E95-F152 HydrophobicContact CB-CZ 4.18Å; E95-F152 HydrophobicContact CG-CD1 3.84Å; E95-F152 HydrophobicContact CG-CE1 3.57Å; E95-F152 HydrophobicContact CG-CZ 4.17Å; S112-F152 WeakPolarHBondContact OG-CZ 3.39Å; R114-F152 HydrophobicContact CB-CE1 4.47Å; R114-F152 HydrophobicContact CG-CD1 3.49Å; R114-F152 VanDerWaalsContact CG-CD1 3.49Å; R114-F152 HydrophobicContact CG-CE1 3.64Å; R114-F152 HydrophobicContact CG-CG 4.02Å; R114-F152 HydrophobicContact CG-CZ 4.31Å; I123-F152 HydrophobicContact CD1-CE1 4.32Å; I123-F152 HydrophobicContact CD1-CE2 3.58Å; I123-F152 HydrophobicContact CD1-CZ 3.34Å; F152-D154 PolarHBondContact O-N 2.93Å; F152-N158 WeakPolarHBondContact CD2-O 3.26Å; F152-N158 PolarHBondContact N-O 3.43Å; F152-N158 PolarHBondContact O-ND2 2.86Å; F152-I160 HydrophobicContact CE2-CG1 4.33Å; F152-H163 AromaticContact CD2-CE1 3.6Å; F152-H163 AromaticContact CE2-CE1 3.65Å | ||
| 153 | R | 85.4 | Confident | 85.6 | Confident | 107 Ų | 107 | 40.7 Ų | 40.7 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -73.6 | -24 | -171.8 | -68.7 | 177.3 | -67.6 | 142.3 | -1.3 | 114.8 | E93 E155 N511 K512 H513 | E93-R153 IonicContact OE1-NE 2.75Å; E93-R153 IonicContact OE1-NH2 2.83Å; E93-R153 WeakPolarHBondContact OE2-CB 3.1Å; E93-R153 VanDerWaalsContact OE2-CG 3.28Å; E93-R153 WeakPolarHBondContact OE2-CG 3.08Å; E93-R153 IonicContact OE2-CZ 3.14Å; E93-R153 PolarHBondContact OE2-N 3.02Å; E93-R153 IonicContact OE2-NE 2.59Å; E93-R153 PolarHBondContact OE2-NE 2.99Å; E93-R153 IonicContact OE2-NH2 2.72Å; E93-R153 PolarHBondContact OE2-NH2 3.43Å; R153-E155 PolarHBondContact O-N 3.26Å; R153-N511 PolarHBondContact NH1-O 3.25Å; R153-K512 VanDerWaalsContact NH1-C 3.29Å; R153-K512 PolarHBondContact NH1-O 3.06Å; R153-K512 PolarHBondContact NH2-O 3.05Å; R153-H513 PolarHBondContact NH1-CD2 3.29Å |
| 154 | D | 78.3 | Confident | 85.3 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | trans | -72 | 119.4 | -179.2 | -156.8 | -55.1 | 0 | 0 | 0 | 110.6 | F152 D156 V157 N158 K512 | F152-D154 PolarHBondContact O-N 2.93Å; D154-D156 PolarHBondContact O-N 2.58Å; D154-D156 PolarHBondContact OD1-N 3.37Å; D154-V157 HydrophobicContact CB-CB 4.5Å; D154-V157 CarbonylContact O-C 3.28Å; D154-V157 PolarHBondContact O-N 2.78Å; D154-N158 VanDerWaalsContact O-CA 3.25Å; D154-N158 WeakPolarHBondContact O-CA 3.22Å; D154-N158 WeakPolarHBondContact O-CB 3.49Å; D154-N158 PolarHBondContact O-N 2.81Å; D154-N158 VanDerWaalsContact O-N 3.12Å; D154-K512 IonicContact OD2-NZ 3.09Å | ||
| 155 | E | 74.5 | Confident | 85.4 | Confident | 141 Ų | 141 | 38.9 Ų | 38.9 | 66% | 0.659 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -63.1 | -30.8 | -179.2 | -67.1 | -176.6 | 178.5 | 0 | 0 | 112.5 | R153 R280 | R153-E155 PolarHBondContact O-N 3.26Å; E155-R280 IonicContact OE2-NH1 3.05Å; E155-R280 IonicContact OE2-NH2 2.63Å |
| 156 | D | 70.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -81 | -22.9 | -179.9 | -69.1 | -27.2 | 0 | 0 | 0 | 111.4 | D154 | D154-D156 PolarHBondContact O-N 2.58Å; D154-D156 PolarHBondContact OD1-N 3.37Å |
| 157 | V | 80.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -136.9 | 68.8 | -179.1 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | R114 N121 D154 D162 H163 | R114-V157 VanDerWaalsContact NH2-CG1 3.32Å; N121-V157 HydrophobicContact CB-CG1 4.04Å; N121-V157 HydrophobicContact CB-CG2 4.14Å; D154-V157 HydrophobicContact CB-CB 4.5Å; D154-V157 CarbonylContact O-C 3.28Å; D154-V157 PolarHBondContact O-N 2.78Å; V157-D162 HydrophobicContact CB-CB 4.42Å; V157-D162 HydrophobicContact CG1-CB 3.97Å; V157-H163 HydrophobicContact CG1-CB 4.3Å |
| 158 | N | 84 | Confident | 86.6 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | trans | -92.6 | -34.4 | -169.1 | 177.7 | -108 | 0 | 0 | 0 | 113.2 | S151 F152 D154 D162 | S151-N158 CarbonylContact C-O 3.51Å; S151-N158 WeakPolarHBondContact CA-O 3.38Å; F152-N158 WeakPolarHBondContact CD2-O 3.26Å; F152-N158 PolarHBondContact N-O 3.43Å; F152-N158 PolarHBondContact O-ND2 2.86Å; D154-N158 VanDerWaalsContact O-CA 3.25Å; D154-N158 WeakPolarHBondContact O-CA 3.22Å; D154-N158 WeakPolarHBondContact O-CB 3.49Å; D154-N158 PolarHBondContact O-N 2.81Å; D154-N158 VanDerWaalsContact O-N 3.12Å; N158-D162 PolarHBondContact N-OD2 2.93Å | ||
| 159 | V | 86.7 | Confident | 87.2 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 12% | 0.115 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -113.6 | 167.3 | 179.3 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | I161 D162 H163 | V159-I161 VanDerWaalsContact C-N 3.28Å; V159-I161 HydrophobicContact CG2-CG1 3.77Å; V159-I161 PolarHBondContact O-N 2.86Å; V159-D162 HydrophobicContact CG2-CB 4.43Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.35Å; V159-D162 PolarHBondContact N-OD2 2.83Å; V159-D162 VanDerWaalsContact N-OD2 3.1Å; V159-D162 WeakPolarHBondContact O-CB 3.42Å; V159-D162 PolarHBondContact O-N 3.27Å; V159-H163 PolarHBondContact O-CE1 2.98Å; V159-H163 PolarHBondContact O-ND1 3.04Å; V159-H163 VanDerWaalsContact O-ND1 3.09Å |
| 160 | I | 87.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -49.7 | -49.4 | -178.5 | -68.8 | 161.2 | 0 | 0 | 0 | 111.4 | I123 L125 I146 I147 Q150 F152 D162 H163 V166 | I123-I160 HydrophobicContact CD1-CB 4.47Å; I123-I160 HydrophobicContact CD1-CG1 4Å; I123-I160 HydrophobicContact CD1-CG2 4.47Å; L125-I160 HydrophobicContact CD1-CG2 4.12Å; L125-I160 HydrophobicContact CD2-CD1 3.74Å; L125-I160 HydrophobicContact CD2-CG1 4.23Å; L125-I160 HydrophobicContact CD2-CG2 4.38Å; I146-I160 HydrophobicContact CG2-CD1 3.83Å; I146-I160 WeakPolarHBondContact O-CD1 3.05Å; I147-I160 HydrophobicContact CD1-CD1 4.37Å; I147-I160 HydrophobicContact CD1-CG2 4.41Å; Q150-I160 HydrophobicContact CB-CD1 3.85Å; Q150-I160 HydrophobicContact CB-CG1 4.13Å; Q150-I160 HydrophobicContact CG-CD1 4.33Å; F152-I160 HydrophobicContact CE2-CG1 4.33Å; I160-D162 PolarHBondContact O-N 3.39Å; I160-H163 PolarHBondContact O-N 2.9Å; I160-H163 PolarHBondContact O-ND1 3.18Å; I160-V166 HydrophobicContact CG2-CG1 3.78Å; I160-V166 WeakPolarHBondContact O-CG2 3.27Å |
| 161 | I | 86.9 | Confident | 88.1 | Confident | 11 Ų | 11 | 26 Ų | 26 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -74 | -7.7 | -175.4 | 62 | 166 | 0 | 0 | 0 | 114.6 | I147 V159 H163 M253 H255 H262 | I147-I161 HydrophobicContact CD1-CG2 4.33Å; V159-I161 VanDerWaalsContact C-N 3.28Å; V159-I161 HydrophobicContact CG2-CG1 3.77Å; V159-I161 PolarHBondContact O-N 2.86Å; I161-H163 VanDerWaalsContact C-N 3.3Å; I161-M253 HydrophobicContact CB-CE 4.03Å; I161-M253 HydrophobicContact CG2-CE 4.2Å; I161-H255 PolarHBondContact O-CD2 3.43Å; I161-H262 HydrophobicContact CD1-CB 4.16Å |
| 162 | D | 83.8 | Confident | 88.5 | Confident | 25 Ų | 25 | 23.6 Ų | 23.6 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -77.4 | -16.4 | 175.7 | -75.4 | -41.6 | 0 | 0 | 0 | 113.2 | V157 N158 V159 I160 R279 | V157-D162 HydrophobicContact CB-CB 4.42Å; V157-D162 HydrophobicContact CG1-CB 3.97Å; N158-D162 PolarHBondContact N-OD2 2.93Å; V159-D162 HydrophobicContact CG2-CB 4.43Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.35Å; V159-D162 PolarHBondContact N-OD2 2.83Å; V159-D162 VanDerWaalsContact N-OD2 3.1Å; V159-D162 WeakPolarHBondContact O-CB 3.42Å; V159-D162 PolarHBondContact O-N 3.27Å; I160-D162 PolarHBondContact O-N 3.39Å; D162-R279 IonicContact OD1-CZ 2.73Å; D162-R279 IonicContact OD1-NE 2.81Å; D162-R279 PolarHBondContact OD1-NE 3.1Å; D162-R279 IonicContact OD1-NH2 3.02Å; D162-R279 PolarHBondContact OD1-NH2 2.98Å |
| 163 | H | 87.8 | Confident | 89 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -72.2 | 148 | -176.5 | -62.1 | 75.2 | 0 | 0 | 0 | 111.5 | R114 I123 F152 V157 V159 I160 I161 Y165 V166 | R114-H163 PolarHBondContact NE-NE2 2.86Å; I123-H163 HydrophobicContact CB-CB 4.34Å; I123-H163 HydrophobicContact CG2-CB 3.65Å; I123-H163 VanDerWaalsContact CG2-CG 3.48Å; F152-H163 AromaticContact CD2-CE1 3.6Å; F152-H163 AromaticContact CE2-CE1 3.65Å; V157-H163 HydrophobicContact CG1-CB 4.3Å; V159-H163 PolarHBondContact O-CE1 2.98Å; V159-H163 PolarHBondContact O-ND1 3.04Å; V159-H163 VanDerWaalsContact O-ND1 3.09Å; I160-H163 PolarHBondContact O-N 2.9Å; I160-H163 PolarHBondContact O-ND1 3.18Å; I161-H163 VanDerWaalsContact C-N 3.3Å; H163-Y165 VanDerWaalsContact C-N 3.32Å; H163-Y165 PolarHBondContact O-N 3.03Å; H163-V166 HydrophobicContact CB-CG2 4.08Å |
| 164 | D | 86.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 18.4 Ų | 18.4 | 21% | 0.214 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -63.2 | -40.3 | 179.6 | -59.5 | -60.3 | 0 | 0 | 0 | 111.6 | I120 N121 H255 | I120-D164 HydrophobicContact CG2-CB 3.91Å; N121-D164 PolarHBondContact N-OD2 2.87Å; N121-D164 WeakPolarHBondContact O-CB 3.29Å; N121-D164 PolarHBondContact O-N 2.8Å; D164-H255 PolarHBondContact O-N 2.86Å |
| 165 | Y | 91.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.5 | 174.8 | -57.6 | -82 | 0 | 0 | 0 | 110.6 | I120 N121 M122 I123 H163 V254 P306 E307 A308 L333 S334 | I120-Y165 HydrophobicContact CD1-CE2 4.33Å; I120-Y165 HydrophobicContact CG2-CD2 3.36Å; I120-Y165 HydrophobicContact CG2-CE2 3.44Å; I120-Y165 VanDerWaalsContact CG2-CE2 3.44Å; N121-Y165 PolarHBondContact O-N 3.03Å; M122-Y165 WeakPolarHBondContact CA-O 3.36Å; M122-Y165 HydrophobicContact CE-CD2 3.89Å; I123-Y165 PolarHBondContact N-O 3.32Å; H163-Y165 VanDerWaalsContact C-N 3.32Å; H163-Y165 PolarHBondContact O-N 3.03Å; Y165-V254 HydrophobicContact CD1-CB 4.48Å; Y165-V254 HydrophobicContact CD1-CG1 4.09Å; Y165-V254 HydrophobicContact CD1-CG2 4.08Å; Y165-V254 HydrophobicContact CE1-CG1 3.75Å; Y165-V254 HydrophobicContact CE1-CG2 4.22Å; Y165-P306 HydrophobicContact CE1-CB 4.26Å; Y165-P306 HydrophobicContact CE2-CB 4.42Å; Y165-E307 PolarHBondContact OH-N 2.91Å; Y165-E307 PolarHBondContact OH-O 3.49Å; Y165-A308 HydrophobicContact CD1-CB 4.18Å; Y165-A308 HydrophobicContact CE1-CB 3.97Å; Y165-L333 HydrophobicContact CD1-CD1 4.28Å; Y165-L333 HydrophobicContact CD1-CD2 3.82Å; Y165-L333 HydrophobicContact CD2-CD1 4.02Å; Y165-L333 HydrophobicContact CE1-CB 4.27Å; Y165-L333 HydrophobicContact CE1-CD2 3.76Å; Y165-L333 HydrophobicContact CE1-CG 4.4Å; Y165-L333 HydrophobicContact CE2-CB 4.19Å; Y165-L333 HydrophobicContact CE2-CD1 4.25Å; Y165-L333 HydrophobicContact CG-CD1 4.02Å; Y165-L333 HydrophobicContact CG-CD2 4.38Å; Y165-S334 PolarHBondContact OH-N 3Å; Y165-S334 PolarHBondContact OH-O 2.88Å |
| 166 | V | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.6 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | I123 L125 I160 H163 F215 Y252 M253 | I123-V166 HydrophobicContact CG2-CB 3.96Å; I123-V166 HydrophobicContact CG2-CG1 3.83Å; I123-V166 HydrophobicContact CG2-CG2 3.7Å; L125-V166 HydrophobicContact CD1-CG1 3.75Å; I160-V166 HydrophobicContact CG2-CG1 3.78Å; I160-V166 WeakPolarHBondContact O-CG2 3.27Å; H163-V166 HydrophobicContact CB-CG2 4.08Å; V166-F215 HydrophobicContact CB-CE1 4.14Å; V166-F215 HydrophobicContact CB-CZ 4.38Å; V166-F215 HydrophobicContact CG1-CE1 3.63Å; V166-F215 HydrophobicContact CG1-CZ 3.77Å; V166-Y252 CarbonylContact O-C 3.56Å; V166-Y252 WeakPolarHBondContact O-CA 3.22Å; V166-M253 HydrophobicContact CB-CB 4.15Å; V166-M253 HydrophobicContact CB-CE 4.4Å; V166-M253 HydrophobicContact CG2-CE 3.66Å; V166-M253 PolarHBondContact N-O 2.86Å; V166-M253 PolarHBondContact O-N 2.98Å |
| 167 | F | 98.7 | Very high | 93 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.7 | 174.1 | -57.9 | -78.9 | 0 | 0 | 0 | 109.6 | V6 I123 F124 L125 F331 L333 | V6-F167 HydrophobicContact CG1-CE2 4.16Å; V6-F167 HydrophobicContact CG1-CZ 4.2Å; I123-F167 PolarHBondContact O-N 2.97Å; F124-F167 CarbonylContact C-O 3.53Å; F124-F167 WeakPolarHBondContact CA-O 3.44Å; F124-F167 HydrophobicContact CD1-CB 3.76Å; F124-F167 AromaticContact CD1-CD2 3.63Å; F124-F167 HydrophobicContact CD1-CD2 3.63Å; F124-F167 AromaticContact CD1-CG 3.96Å; F124-F167 HydrophobicContact CD1-CG 3.96Å; F124-F167 HydrophobicContact CE1-CB 4.18Å; F124-F167 AromaticContact CE1-CD2 3.25Å; F124-F167 HydrophobicContact CE1-CD2 3.25Å; F124-F167 AromaticContact CE1-CE2 3.8Å; F124-F167 HydrophobicContact CE1-CE2 3.8Å; F124-F167 AromaticContact CE1-CG 3.86Å; F124-F167 HydrophobicContact CE1-CG 3.86Å; F124-F167 HydrophobicContact CE2-CD2 4.47Å; F124-F167 HydrophobicContact CG-CD2 4.39Å; F124-F167 AromaticContact CZ-CD2 3.73Å; F124-F167 HydrophobicContact CZ-CD2 3.73Å; F124-F167 AromaticContact CZ-CE2 3.94Å; F124-F167 HydrophobicContact CZ-CE2 3.94Å; L125-F167 PolarHBondContact N-O 2.82Å; F167-F331 AromaticContact CD1-CD2 3.95Å; F167-F331 HydrophobicContact CD1-CD2 3.95Å; F167-F331 AromaticContact CD1-CE2 3.66Å; F167-F331 HydrophobicContact CD1-CE2 3.66Å; F167-F331 HydrophobicContact CD1-CZ 4.05Å; F167-F331 HydrophobicContact CE1-CB 4.35Å; F167-F331 HydrophobicContact CE1-CD1 4.1Å; F167-F331 AromaticContact CE1-CD2 3.45Å; F167-F331 HydrophobicContact CE1-CD2 3.45Å; F167-F331 VanDerWaalsContact CE1-CD2 3.45Å; F167-F331 HydrophobicContact CE1-CE1 4.24Å; F167-F331 AromaticContact CE1-CE2 3.62Å; F167-F331 HydrophobicContact CE1-CE2 3.62Å; F167-F331 AromaticContact CE1-CG 3.7Å; F167-F331 HydrophobicContact CE1-CG 3.7Å; F167-F331 HydrophobicContact CE1-CZ 4.02Å; F167-F331 HydrophobicContact CZ-CD2 4.33Å; F167-F331 HydrophobicContact CZ-CG 4.43Å; F167-L333 HydrophobicContact CE2-CD1 4.32Å; F167-L333 HydrophobicContact CZ-CD1 3.95Å; F167-L333 HydrophobicContact CZ-CD2 4.07Å |
| 168 | W | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.9 | 179.4 | -163.3 | -63.2 | 0 | 0 | 0 | 110 | L125 C127 F129 Y143 I146 I147 F212 F215 I250 L251 | L125-W168 HydrophobicContact CB-CD2 4.35Å; L125-W168 HydrophobicContact CB-CG 4.46Å; L125-W168 HydrophobicContact CD1-CE3 4.11Å; L125-W168 HydrophobicContact CD2-CD2 4.24Å; L125-W168 HydrophobicContact CD2-CE3 3.79Å; L125-W168 HydrophobicContact CD2-CH2 4.2Å; L125-W168 HydrophobicContact CD2-CZ3 3.77Å; L125-W168 HydrophobicContact CG-CE3 4.39Å; C127-W168 VanDerWaalsContact SG-CE2 3.54Å; C127-W168 PolarHBondContact SG-NE1 2.79Å; F129-W168 HydrophobicContact CE1-CZ2 4.01Å; F129-W168 AromaticContact CZ-CZ2 3.68Å; F129-W168 HydrophobicContact CZ-CZ2 3.68Å; F129-W168 AromaticContact CZ-NE1 3.91Å; Y143-W168 AromaticContact CD2-CH2 3.85Å; Y143-W168 HydrophobicContact CD2-CH2 3.85Å; Y143-W168 HydrophobicContact CD2-CZ2 4.12Å; Y143-W168 HydrophobicContact CD2-CZ3 4.33Å; Y143-W168 HydrophobicContact CE2-CH2 4.19Å; Y143-W168 HydrophobicContact CE2-CZ3 4.23Å; I146-W168 HydrophobicContact CB-CH2 3.8Å; I146-W168 HydrophobicContact CB-CZ2 4.21Å; I146-W168 HydrophobicContact CD1-CH2 4.32Å; I146-W168 HydrophobicContact CD1-CZ2 3.84Å; I146-W168 HydrophobicContact CG2-CH2 3.39Å; I146-W168 HydrophobicContact CG2-CZ2 3.91Å; I146-W168 HydrophobicContact CG2-CZ3 4.12Å; I147-W168 HydrophobicContact CD1-CH2 4.34Å; I147-W168 HydrophobicContact CD1-CZ3 3.79Å; I147-W168 HydrophobicContact CG1-CH2 4.31Å; I147-W168 HydrophobicContact CG1-CZ3 4.26Å; W168-F212 HydrophobicContact CB-CE1 4.26Å; W168-F212 AromaticContact CD1-CZ 3.84Å; W168-F212 AromaticContact CD2-CE1 3.46Å; W168-F212 HydrophobicContact CD2-CE1 3.46Å; W168-F212 VanDerWaalsContact CD2-CE1 3.46Å; W168-F212 AromaticContact CD2-CZ 3.86Å; W168-F212 HydrophobicContact CD2-CZ 3.86Å; W168-F212 AromaticContact CE2-CE1 3.72Å; W168-F212 AromaticContact CE2-CZ 3.63Å; W168-F212 AromaticContact CE3-CE1 3.77Å; W168-F212 HydrophobicContact CE3-CE1 3.77Å; W168-F212 AromaticContact CG-CE1 3.67Å; W168-F212 HydrophobicContact CG-CE1 3.67Å; W168-F212 AromaticContact CG-CZ 4Å; W168-F212 HydrophobicContact CG-CZ 4Å; W168-F212 HydrophobicContact CH2-CE1 4.47Å; W168-F212 HydrophobicContact CZ2-CE1 4.25Å; W168-F212 HydrophobicContact CZ2-CZ 4.11Å; W168-F212 HydrophobicContact CZ3-CE1 4.26Å; W168-F212 AromaticContact NE1-CZ 3.62Å; W168-F215 HydrophobicContact CB-CD1 4.41Å; W168-F215 HydrophobicContact CB-CE1 4.03Å; W168-F215 HydrophobicContact CE3-CE1 4.34Å; W168-F215 HydrophobicContact CE3-CZ 4.15Å; W168-I250 CarbonylContact O-C 3.12Å; W168-I250 WeakPolarHBondContact O-CA 3.3Å; W168-L251 HydrophobicContact CB-CB 4.42Å; W168-L251 PolarHBondContact N-O 2.9Å; W168-L251 PolarHBondContact O-N 3.31Å |
| 169 | M | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.6 | -174 | -52.7 | 171.1 | -76.6 | 0 | 0 | 110 | C8 A41 I77 F124 L125 S126 C127 R249 I250 | C8-M169 HydrophobicContact CB-CG 4.4Å; C8-M169 HydrophobicContact CB-SD 3.5Å; C8-M169 VanDerWaalsContact CB-SD 3.5Å; A41-M169 HydrophobicContact CB-CB 3.78Å; A41-M169 HydrophobicContact CB-CE 4.12Å; A41-M169 HydrophobicContact CB-SD 4.33Å; I77-M169 HydrophobicContact CD1-CE 3.73Å; F124-M169 HydrophobicContact CB-CE 3.79Å; F124-M169 HydrophobicContact CD1-CE 4.06Å; F124-M169 HydrophobicContact CG-CE 4.43Å; L125-M169 WeakPolarHBondContact O-CA 3.21Å; L125-M169 VanDerWaalsContact O-CB 3.3Å; L125-M169 WeakPolarHBondContact O-CB 3.48Å; L125-M169 WeakPolarHBondContact O-CE 3.43Å; L125-M169 PolarHBondContact O-N 2.74Å; L125-M169 VanDerWaalsContact O-O 3.13Å; S126-M169 CarbonylContact C-O 3.56Å; S126-M169 WeakPolarHBondContact CA-O 3.21Å; C127-M169 PolarHBondContact N-O 3.08Å; M169-R249 WeakPolarHBondContact CA-O 3.16Å; M169-I250 HydrophobicContact CB-CG1 4.32Å; M169-I250 HydrophobicContact CG-CB 4.4Å; M169-I250 HydrophobicContact CG-CD1 4.46Å; M169-I250 HydrophobicContact CG-CG1 3.98Å; M169-I250 HydrophobicContact CG-CG2 3.9Å |
| 170 | G | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.8 | -179.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T10 C127 L172 D248 R249 | T10-G170 WeakPolarHBondContact OG1-CA 3.25Å; T10-G170 PolarHBondContact OG1-N 2.91Å; C127-G170 CarbonylContact O-C 3.55Å; C127-G170 WeakPolarHBondContact O-CA 3.41Å; G170-L172 PolarHBondContact O-N 3.28Å; G170-L172 VanDerWaalsContact O-N 3.16Å; G170-D248 WeakPolarHBondContact O-CA 3.48Å; G170-R249 PolarHBondContact N-O 3.38Å; G170-R249 PolarHBondContact O-N 2.7Å |
| 171 | D | 98.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 89.6 | 162 | -178.2 | -0.1 | 0 | 0 | 0 | 108.9 | N12 Q43 C127 H128 F129 N173 T247 H324 | N12-D171 HydrophobicContact CB-CB 4.22Å; N12-D171 PolarHBondContact ND2-OD2 3.26Å; Q43-D171 HydrophobicContact CG-CB 4.22Å; C127-D171 PolarHBondContact O-N 3.41Å; C127-D171 VanDerWaalsContact O-N 3.09Å; H128-D171 CarbonylContact C-O 3.32Å; H128-D171 WeakPolarHBondContact CA-O 3.3Å; H128-D171 IonicContact CD2-OD2 3.68Å; H128-D171 IonicContact NE2-OD2 3.91Å; H128-D171 PolarHBondContact NE2-OD2 3.15Å; F129-D171 PolarHBondContact N-O 2.75Å; D171-N173 VanDerWaalsContact CG-ND2 3.32Å; D171-N173 PolarHBondContact O-N 3.2Å; D171-N173 WeakPolarHBondContact OD1-CA 3.37Å; D171-N173 PolarHBondContact OD1-N 3.03Å; D171-N173 PolarHBondContact OD1-ND2 3.33Å; D171-N173 PolarHBondContact OD1-OD1 3.11Å; D171-N173 PolarHBondContact OD2-ND2 3.12Å; D171-N173 VanDerWaalsContact OD2-ND2 3.17Å; D171-T247 WeakPolarHBondContact OD1-CB 3.24Å; D171-H324 IonicContact OD2-CE1 3.57Å; D171-H324 PolarHBondContact OD2-CE1 2.76Å; D171-H324 IonicContact OD2-NE2 3.53Å |
| 172 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -80 | -4 | 178.2 | -53.8 | -168.6 | 0 | 0 | 0 | 112.2 | C127 F129 R139 G170 F174 L202 F212 T247 R249 L251 | C127-L172 HydrophobicContact CB-CD2 4.03Å; F129-L172 WeakPolarHBondContact CB-O 3.46Å; F129-L172 HydrophobicContact CD1-CD2 4.33Å; F129-L172 HydrophobicContact CD2-CB 4.12Å; F129-L172 HydrophobicContact CD2-CD2 4.15Å; F129-L172 HydrophobicContact CE1-CD2 4.27Å; F129-L172 HydrophobicContact CE2-CD2 4.12Å; F129-L172 HydrophobicContact CG-CD2 4.26Å; F129-L172 HydrophobicContact CZ-CD2 4.19Å; R139-L172 WeakPolarHBondContact CD-O 3.28Å; G170-L172 PolarHBondContact O-N 3.28Å; G170-L172 VanDerWaalsContact O-N 3.16Å; L172-F174 HydrophobicContact CB-CD2 3.69Å; L172-F174 HydrophobicContact CB-CE2 3.93Å; L172-F174 WeakPolarHBondContact O-CD2 2.97Å; L172-F174 PolarHBondContact O-N 2.89Å; L172-L202 HydrophobicContact CD1-CD2 4.22Å; L172-F212 HydrophobicContact CD1-CE2 4.13Å; L172-F212 HydrophobicContact CD1-CZ 4.26Å; L172-T247 PolarHBondContact N-O 3.43Å; L172-R249 HydrophobicContact CB-CG 4.47Å; L172-R249 HydrophobicContact CD1-CB 3.78Å; L172-R249 HydrophobicContact CD1-CG 4.24Å; L172-R249 HydrophobicContact CG-CB 4.15Å; L172-R249 HydrophobicContact CG-CG 4.44Å; L172-L251 HydrophobicContact CD1-CD1 3.47Å; L172-L251 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 173 | N | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | trans | 56 | 15.7 | 169.5 | -94.9 | -55.9 | 0 | 0 | 0 | 116.9 | H128 F129 T130 R139 D171 R175 T247 | H128-N173 PolarHBondContact CD2-ND2 2.88Å; H128-N173 VanDerWaalsContact CD2-ND2 3.27Å; H128-N173 PolarHBondContact NE2-ND2 3.13Å; F129-N173 WeakPolarHBondContact O-CB 3.18Å; F129-N173 PolarHBondContact O-ND2 2.86Å; T130-N173 WeakPolarHBondContact O-CB 3.48Å; R139-N173 PolarHBondContact NH1-O 3.2Å; D171-N173 VanDerWaalsContact CG-ND2 3.32Å; D171-N173 PolarHBondContact O-N 3.2Å; D171-N173 WeakPolarHBondContact OD1-CA 3.37Å; D171-N173 PolarHBondContact OD1-N 3.03Å; D171-N173 PolarHBondContact OD1-ND2 3.33Å; D171-N173 PolarHBondContact OD1-OD1 3.11Å; D171-N173 PolarHBondContact OD2-ND2 3.12Å; D171-N173 VanDerWaalsContact OD2-ND2 3.17Å; N173-R175 VanDerWaalsContact O-CD 3.25Å; N173-R175 WeakPolarHBondContact O-CD 3.21Å; N173-R175 WeakPolarHBondContact O-CG 3.43Å; N173-R175 PolarHBondContact O-NE 2.64Å; N173-R175 PolarHBondContact OD1-NH2 2.9Å; N173-T247 PolarHBondContact N-O 2.9Å | ||
| 174 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -69 | 137.7 | 172.1 | -70.5 | -79 | 0 | 0 | 0 | 111 | F129 R139 L172 Q201 L202 M205 L211 | F129-F174 AromaticContact CD2-CE2 3.97Å; F129-F174 HydrophobicContact CD2-CE2 3.97Å; F129-F174 HydrophobicContact CD2-CZ 4.4Å; F129-F174 HydrophobicContact CE2-CE2 4.25Å; R139-F174 HydrophobicContact CB-CE1 4.05Å; R139-F174 HydrophobicContact CB-CZ 3.92Å; L172-F174 HydrophobicContact CB-CD2 3.69Å; L172-F174 HydrophobicContact CB-CE2 3.93Å; L172-F174 WeakPolarHBondContact O-CD2 2.97Å; L172-F174 PolarHBondContact O-N 2.89Å; F174-Q201 HydrophobicContact CB-CB 4.16Å; F174-Q201 HydrophobicContact CD1-CB 3.81Å; F174-Q201 HydrophobicContact CG-CB 4.47Å; F174-L202 HydrophobicContact CB-CB 3.77Å; F174-L202 HydrophobicContact CD1-CB 4.09Å; F174-L202 HydrophobicContact CD2-CB 3.65Å; F174-L202 HydrophobicContact CD2-CD1 3.85Å; F174-L202 HydrophobicContact CD2-CD2 4.2Å; F174-L202 HydrophobicContact CD2-CG 4.09Å; F174-L202 HydrophobicContact CE2-CB 4.27Å; F174-L202 HydrophobicContact CE2-CD1 3.58Å; F174-L202 HydrophobicContact CE2-CG 4.33Å; F174-L202 HydrophobicContact CG-CB 3.56Å; F174-L202 HydrophobicContact CG-CD1 4.44Å; F174-L202 HydrophobicContact CG-CG 4.46Å; F174-L202 HydrophobicContact CZ-CD1 3.97Å; F174-M205 HydrophobicContact CD1-SD 4.36Å; F174-M205 HydrophobicContact CE1-SD 3.72Å; F174-L211 HydrophobicContact CE2-CD1 4.21Å; F174-L211 HydrophobicContact CZ-CD1 3.64Å | ||
| 175 | R | 98.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 28 Ų | 28 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | trans | -113.8 | 177.7 | -169.7 | -52 | -51.1 | -178 | 132 | -6.6 | 111.7 | R133 N173 Q201 | R133-R175 HydrophobicContact CB-CB 4.04Å; R133-R175 HydrophobicContact CB-CG 4.03Å; R133-R175 HydrophobicContact CG-CB 4Å; N173-R175 VanDerWaalsContact O-CD 3.25Å; N173-R175 WeakPolarHBondContact O-CD 3.21Å; N173-R175 WeakPolarHBondContact O-CG 3.43Å; N173-R175 PolarHBondContact O-NE 2.64Å; N173-R175 PolarHBondContact OD1-NH2 2.9Å; R175-Q201 WeakPolarHBondContact O-CB 3.31Å; R175-Q201 WeakPolarHBondContact O-CG 3.43Å; R175-Q201 PolarHBondContact O-N 3.38Å | ||
| 176 | I | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 126.3 | 171.1 | -58.7 | -55.8 | 0 | 0 | 0 | 109.5 | R133 L179 V184 L196 H199 D200 V243 P244 A245 W246 | R133-I176 WeakPolarHBondContact CD-O 3.39Å; R133-I176 PolarHBondContact NE-O 2.86Å; R133-I176 VanDerWaalsContact NE-O 3.07Å; R133-I176 PolarHBondContact NH1-O 2.99Å; I176-L179 HydrophobicContact CG2-CB 4.21Å; I176-L179 HydrophobicContact CG2-CD1 4.17Å; I176-L179 HydrophobicContact CG2-CG 4.5Å; I176-V184 HydrophobicContact CG2-CG2 4.03Å; I176-L196 HydrophobicContact CD1-CD1 4.46Å; I176-L196 HydrophobicContact CD1-CG 4.49Å; I176-L196 HydrophobicContact CG1-CD1 4.46Å; I176-L196 HydrophobicContact CG2-CD1 3.93Å; I176-H199 WeakPolarHBondContact CA-O 3.26Å; I176-H199 HydrophobicContact CG2-CB 3.73Å; I176-D200 HydrophobicContact CD1-CB 4.32Å; I176-V243 HydrophobicContact CB-CG1 4.49Å; I176-P244 WeakPolarHBondContact CG1-O 3.19Å; I176-A245 HydrophobicContact CG1-CB 4.17Å; I176-W246 HydrophobicContact CD1-CE3 3.94Å; I176-W246 HydrophobicContact CD1-CZ3 3.88Å |
| 177 | D | 97.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | trans | -90.3 | 161 | 175.2 | -82.9 | -22.4 | 0 | 0 | 0 | 113 | R133 K136 L179 H199 Q201 | R133-D177 IonicContact CZ-OD1 3.11Å; R133-D177 IonicContact NE-OD1 3.21Å; R133-D177 PolarHBondContact NE-OD1 3.45Å; R133-D177 IonicContact NH2-OD1 2.58Å; K136-D177 IonicContact NZ-OD2 2.78Å; K136-D177 PolarHBondContact NZ-OD2 3.26Å; D177-L179 PolarHBondContact O-N 3.31Å; D177-H199 PolarHBondContact N-O 3.33Å; D177-H199 WeakPolarHBondContact O-CB 3.49Å; D177-H199 PolarHBondContact O-ND1 2.88Å; D177-Q201 PolarHBondContact OD1-NE2 2.92Å; D177-Q201 WeakPolarHBondContact OD2-CG 3.44Å; D177-Q201 PolarHBondContact OD2-NE2 2.87Å | ||
| 178 | H | 96.1 | Very high | 98.2 | Very high | 150 Ų | 150 | 32.6 Ų | 32.6 | 69% | 0.694 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 56.6 | -9.1 | 176.6 | -48.3 | -63.2 | 0 | 0 | 0 | 119.3 | ||
| 179 | L | 97.9 | Very high | 98.2 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | trans | -109.7 | 149.9 | -178.1 | -59.7 | 176.6 | 0 | 0 | 0 | 112.8 | R133 I176 D177 E183 V184 M187 L196 H199 | R133-L179 PolarHBondContact NH1-O 3.45Å; R133-L179 VanDerWaalsContact NH1-O 3.15Å; I176-L179 HydrophobicContact CG2-CB 4.21Å; I176-L179 HydrophobicContact CG2-CD1 4.17Å; I176-L179 HydrophobicContact CG2-CG 4.5Å; D177-L179 PolarHBondContact O-N 3.31Å; L179-E183 HydrophobicContact CD2-CB 4.49Å; L179-V184 HydrophobicContact CB-CG2 3.69Å; L179-V184 HydrophobicContact CD1-CG2 4.18Å; L179-M187 HydrophobicContact CD1-SD 3.86Å; L179-L196 HydrophobicContact CD1-CD1 3.65Å; L179-H199 HydrophobicContact CD1-CB 4.32Å | ||
| 180 | Q | 97.4 | Very high | 98.2 | Very high | 125 Ų | 125 | 46.1 Ų | 46.1 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | trans | -90.8 | 162.7 | 171.3 | -59.1 | -65.2 | -8.1 | 0 | 0 | 111.7 | S182 E183 V184 | Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 2.55Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.17Å; Q180-E183 PolarHBondContact N-OE2 2.71Å; Q180-E183 PolarHBondContact O-N 3.39Å; Q180-E183 VanDerWaalsContact O-N 3.11Å; Q180-V184 WeakPolarHBondContact O-CG2 3.41Å; Q180-V184 PolarHBondContact O-N 2.74Å | ||
| 181 | K | 97.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 54 Ų | 54 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.5 | -46.6 | -178 | -179.3 | 170.8 | -169.7 | -92.3 | 0 | 113.2 | E183 V184 E185 D236 Q241 V243 | K181-E183 VanDerWaalsContact C-N 3.32Å; K181-E183 PolarHBondContact O-N 2.82Å; K181-V184 PolarHBondContact O-N 2.92Å; K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 HydrophobicContact CG-CG 4.28Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 IonicContact NZ-OE1 2.68Å; K181-E185 PolarHBondContact NZ-OE1 3.06Å; K181-E185 WeakPolarHBondContact O-CB 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.36Å; K181-E185 PolarHBondContact O-N 3.44Å; K181-D236 WeakPolarHBondContact CE-O 3.21Å; K181-D236 PolarHBondContact NZ-O 3.25Å; K181-Q241 HydrophobicContact CD-CB 4.02Å; K181-Q241 VanDerWaalsContact NZ-OE1 3.16Å; K181-V243 HydrophobicContact CB-CG2 4.27Å |
| 182 | S | 97.7 | Very high | 98.1 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.7 | -35.6 | -178.8 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | Q180 L186 | Q180-S182 VanDerWaalsContact C-N 3.33Å; Q180-S182 PolarHBondContact O-N 2.55Å; S182-L186 WeakPolarHBondContact O-CB 3.22Å; S182-L186 PolarHBondContact O-N 3.27Å |
| 183 | E | 98.5 | Very high | 98.1 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.5 | -46.4 | 177.6 | -62 | 172 | 104 | 0 | 0 | 110.1 | L179 Q180 K181 L186 M187 | L179-E183 HydrophobicContact CD2-CB 4.49Å; Q180-E183 WeakPolarHBondContact CB-OE2 3.17Å; Q180-E183 PolarHBondContact N-OE2 2.71Å; Q180-E183 PolarHBondContact O-N 3.39Å; Q180-E183 VanDerWaalsContact O-N 3.11Å; K181-E183 VanDerWaalsContact C-N 3.32Å; K181-E183 PolarHBondContact O-N 2.82Å; E183-L186 WeakPolarHBondContact O-CB 3.43Å; E183-L186 PolarHBondContact O-N 2.59Å; E183-M187 WeakPolarHBondContact O-CG 3.42Å; E183-M187 PolarHBondContact O-N 2.73Å |
| 184 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | I176 L179 Q180 K181 L186 M187 V188 L196 V243 P244 | I176-V184 HydrophobicContact CG2-CG2 4.03Å; L179-V184 HydrophobicContact CB-CG2 3.69Å; L179-V184 HydrophobicContact CD1-CG2 4.18Å; Q180-V184 WeakPolarHBondContact O-CG2 3.41Å; Q180-V184 PolarHBondContact O-N 2.74Å; K181-V184 PolarHBondContact O-N 2.92Å; V184-L186 VanDerWaalsContact C-N 3.31Å; V184-L186 PolarHBondContact O-N 2.89Å; V184-M187 PolarHBondContact O-N 2.76Å; V184-V188 HydrophobicContact CG1-CG2 4.32Å; V184-V188 WeakPolarHBondContact O-CB 3.35Å; V184-V188 VanDerWaalsContact O-CG2 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 2.79Å; V184-L196 HydrophobicContact CB-CD1 4.42Å; V184-L196 HydrophobicContact CG1-CD1 4.13Å; V184-L196 HydrophobicContact CG1-CD2 3.91Å; V184-L196 HydrophobicContact CG2-CD1 3.94Å; V184-V243 HydrophobicContact CB-CG1 4.05Å; V184-V243 HydrophobicContact CG1-CG1 4.35Å; V184-V243 HydrophobicContact CG2-CG1 3.55Å; V184-P244 HydrophobicContact CG1-CB 3.82Å; V184-P244 HydrophobicContact CG1-CG 4.05Å |
| 185 | E | 98.6 | Very high | 98 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 177.2 | -75.2 | 179.9 | -178.7 | 0 | 0 | 112.5 | K181 R189 Y235 P244 | K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 HydrophobicContact CG-CG 4.28Å; K181-E185 WeakPolarHBondContact CG-OE1 3.46Å; K181-E185 IonicContact NZ-OE1 2.68Å; K181-E185 PolarHBondContact NZ-OE1 3.06Å; K181-E185 WeakPolarHBondContact O-CB 3.46Å; K181-E185 WeakPolarHBondContact O-CG 3.36Å; K181-E185 PolarHBondContact O-N 3.44Å; E185-R189 WeakPolarHBondContact O-CG 3.47Å; E185-R189 PolarHBondContact O-N 3.31Å; E185-Y235 HydrophobicContact CG-CD2 4.01Å; E185-P244 HydrophobicContact CG-CG 4.16Å |
| 186 | L | 98.5 | Very high | 98 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 173.4 | 179.5 | 64.1 | 0 | 0 | 0 | 111.1 | S182 E183 V184 V188 R189 E190 | S182-L186 WeakPolarHBondContact O-CB 3.22Å; S182-L186 PolarHBondContact O-N 3.27Å; E183-L186 WeakPolarHBondContact O-CB 3.43Å; E183-L186 PolarHBondContact O-N 2.59Å; V184-L186 VanDerWaalsContact C-N 3.31Å; V184-L186 PolarHBondContact O-N 2.89Å; L186-V188 VanDerWaalsContact C-N 3.29Å; L186-V188 PolarHBondContact O-N 3.44Å; L186-R189 PolarHBondContact O-N 3.32Å; L186-E190 HydrophobicContact CD1-CG 4.48Å; L186-E190 WeakPolarHBondContact O-CG 3.36Å; L186-E190 PolarHBondContact O-N 2.82Å |
| 187 | M | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 179.1 | -65.7 | 176.2 | 82.3 | 0 | 0 | 112.3 | L179 E183 V184 E190 K191 R192 E195 L196 | L179-M187 HydrophobicContact CD1-SD 3.86Å; E183-M187 WeakPolarHBondContact O-CG 3.42Å; E183-M187 PolarHBondContact O-N 2.73Å; V184-M187 PolarHBondContact O-N 2.76Å; M187-E190 CarbonylContact O-C 3.59Å; M187-E190 PolarHBondContact O-N 2.85Å; M187-K191 PolarHBondContact O-N 3.15Å; M187-R192 HydrophobicContact CB-CB 4.27Å; M187-R192 PolarHBondContact O-N 2.8Å; M187-E195 HydrophobicContact CE-CB 3.67Å; M187-E195 VanDerWaalsContact CE-CD 3.47Å; M187-E195 HydrophobicContact CE-CG 3.47Å; M187-E195 VanDerWaalsContact CE-CG 3.47Å; M187-L196 HydrophobicContact CE-CB 3.92Å; M187-L196 HydrophobicContact SD-CB 4.37Å; M187-L196 HydrophobicContact SD-CD1 4.09Å |
| 188 | V | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 175 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | V184 L186 E190 K191 F193 L196 P223 P224 Y235 | V184-V188 HydrophobicContact CG1-CG2 4.32Å; V184-V188 WeakPolarHBondContact O-CB 3.35Å; V184-V188 VanDerWaalsContact O-CG2 3.26Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 2.79Å; L186-V188 VanDerWaalsContact C-N 3.29Å; L186-V188 PolarHBondContact O-N 3.44Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 2.92Å; V188-K191 PolarHBondContact O-N 3.14Å; V188-F193 HydrophobicContact CB-CE1 4.47Å; V188-F193 HydrophobicContact CG1-CE1 4.28Å; V188-F193 HydrophobicContact CG2-CE1 4.37Å; V188-L196 HydrophobicContact CG2-CD2 3.84Å; V188-P223 HydrophobicContact CG1-CB 4Å; V188-P224 HydrophobicContact CG2-CG 3.8Å; V188-Y235 HydrophobicContact CG1-CE2 4.01Å |
| 189 | R | 98 | Very high | 98.2 | Very high | 184 Ų | 184 | 67.9 Ų | 67.9 | 69% | 0.694 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.5 | -37.4 | 176.2 | -75.3 | -176.6 | -59.7 | -171.4 | 3 | 112.1 | E185 L186 K191 | E185-R189 WeakPolarHBondContact O-CG 3.47Å; E185-R189 PolarHBondContact O-N 3.31Å; L186-R189 PolarHBondContact O-N 3.32Å; R189-K191 PolarHBondContact O-N 2.9Å |
| 190 | E | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.8 | 176.8 | -66.1 | 178.7 | 172.1 | 0 | 0 | 113.4 | L186 M187 V188 R192 | L186-E190 HydrophobicContact CD1-CG 4.48Å; L186-E190 WeakPolarHBondContact O-CG 3.36Å; L186-E190 PolarHBondContact O-N 2.82Å; M187-E190 CarbonylContact O-C 3.59Å; M187-E190 PolarHBondContact O-N 2.85Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 2.92Å; E190-R192 HydrophobicContact CB-CG 3.93Å; E190-R192 PolarHBondContact O-N 2.85Å; E190-R192 WeakPolarHBondContact OE2-CD 3.14Å; E190-R192 IonicContact OE2-CZ 3.77Å; E190-R192 IonicContact OE2-NE 2.74Å; E190-R192 IonicContact OE2-NH1 3.13Å; E190-R192 PolarHBondContact OE2-NH1 2.85Å |
| 191 | K | 98.1 | Very high | 98.2 | Very high | 165 Ų | 165 | 61 Ų | 61 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 30.4 | -176.6 | -57.5 | -177.9 | 179.1 | -179.8 | 0 | 113.8 | M187 V188 R189 F193 | M187-K191 PolarHBondContact O-N 3.15Å; V188-K191 PolarHBondContact O-N 3.14Å; R189-K191 PolarHBondContact O-N 2.9Å; K191-F193 HydrophobicContact CB-CE2 4.33Å; K191-F193 HydrophobicContact CB-CZ 4.44Å; K191-F193 HydrophobicContact CG-CZ 4.47Å; K191-F193 PolarHBondContact O-N 3.43Å |
| 192 | R | 98.3 | Very high | 98.3 | Very high | 91 Ų | 91 | 59.8 Ų | 59.8 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -80.1 | 47.8 | 178.3 | -69.6 | 164.8 | 62.3 | -172.8 | -0.4 | 111.9 | M187 E190 S194 E195 L196 | M187-R192 HydrophobicContact CB-CB 4.27Å; M187-R192 PolarHBondContact O-N 2.8Å; E190-R192 HydrophobicContact CB-CG 3.93Å; E190-R192 PolarHBondContact O-N 2.85Å; E190-R192 WeakPolarHBondContact OE2-CD 3.14Å; E190-R192 IonicContact OE2-CZ 3.77Å; E190-R192 IonicContact OE2-NE 2.74Å; E190-R192 IonicContact OE2-NH1 3.13Å; E190-R192 PolarHBondContact OE2-NH1 2.85Å; R192-S194 PolarHBondContact O-N 2.95Å; R192-E195 IonicContact CZ-OE1 3.95Å; R192-E195 IonicContact CZ-OE2 2.73Å; R192-E195 IonicContact NE-OE2 2.78Å; R192-E195 PolarHBondContact NE-OE2 2.87Å; R192-E195 IonicContact NH2-OE1 3.81Å; R192-E195 PolarHBondContact NH2-OE1 3.48Å; R192-E195 IonicContact NH2-OE2 3.85Å; R192-E195 PolarHBondContact NH2-OE2 2.89Å; R192-E195 PolarHBondContact O-N 3.03Å; R192-L196 PolarHBondContact O-N 2.78Å | ||
| 193 | F | 98.3 | Very high | 98.3 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | -172.9 | -57.4 | -41.6 | 0 | 0 | 0 | 113 | V188 K191 E195 L196 L197 P223 W246 | V188-F193 HydrophobicContact CB-CE1 4.47Å; V188-F193 HydrophobicContact CG1-CE1 4.28Å; V188-F193 HydrophobicContact CG2-CE1 4.37Å; K191-F193 HydrophobicContact CB-CE2 4.33Å; K191-F193 HydrophobicContact CB-CZ 4.44Å; K191-F193 HydrophobicContact CG-CZ 4.47Å; K191-F193 PolarHBondContact O-N 3.43Å; F193-E195 VanDerWaalsContact C-N 3.25Å; F193-E195 PolarHBondContact O-N 2.95Å; F193-L196 PolarHBondContact O-N 3.24Å; F193-L197 WeakPolarHBondContact O-CB 3.45Å; F193-L197 WeakPolarHBondContact O-CD1 3.26Å; F193-L197 VanDerWaalsContact O-CG 3.22Å; F193-L197 WeakPolarHBondContact O-CG 3.39Å; F193-L197 PolarHBondContact O-N 3.25Å; F193-P223 HydrophobicContact CE1-CB 4.1Å; F193-P223 HydrophobicContact CZ-CB 3.99Å; F193-W246 HydrophobicContact CB-CH2 4.42Å; F193-W246 HydrophobicContact CB-CZ2 4.31Å; F193-W246 HydrophobicContact CD1-CH2 4.28Å; F193-W246 AromaticContact CD1-CZ2 3.89Å; F193-W246 HydrophobicContact CD1-CZ2 3.89Å; F193-W246 HydrophobicContact CG-CZ2 4.28Å |
| 194 | S | 96.6 | Very high | 98.2 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -33.8 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | R192 Q198 | R192-S194 PolarHBondContact O-N 2.95Å; S194-Q198 PolarHBondContact O-NE2 2.84Å |
| 195 | E | 97.8 | Very high | 98.1 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.4 | -45.1 | 175.1 | -172.1 | -174.6 | 170.9 | 0 | 0 | 110.9 | M187 R192 F193 L197 Q198 | M187-E195 HydrophobicContact CE-CB 3.67Å; M187-E195 VanDerWaalsContact CE-CD 3.47Å; M187-E195 HydrophobicContact CE-CG 3.47Å; M187-E195 VanDerWaalsContact CE-CG 3.47Å; R192-E195 IonicContact CZ-OE1 3.95Å; R192-E195 IonicContact CZ-OE2 2.73Å; R192-E195 IonicContact NE-OE2 2.78Å; R192-E195 PolarHBondContact NE-OE2 2.87Å; R192-E195 IonicContact NH2-OE1 3.81Å; R192-E195 PolarHBondContact NH2-OE1 3.48Å; R192-E195 IonicContact NH2-OE2 3.85Å; R192-E195 PolarHBondContact NH2-OE2 2.89Å; R192-E195 PolarHBondContact O-N 3.03Å; F193-E195 VanDerWaalsContact C-N 3.25Å; F193-E195 PolarHBondContact O-N 2.95Å; E195-L197 VanDerWaalsContact C-N 3.25Å; E195-L197 PolarHBondContact O-N 3.21Å; E195-Q198 VanDerWaalsContact O-CB 3.31Å; E195-Q198 WeakPolarHBondContact O-CB 3.27Å; E195-Q198 WeakPolarHBondContact O-CG 3.32Å; E195-Q198 PolarHBondContact O-N 2.88Å; E195-Q198 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 177.3 | -178.8 | 57.5 | 0 | 0 | 0 | 112.1 | I176 L179 V184 M187 V188 R192 F193 Q198 H199 P224 W246 | I176-L196 HydrophobicContact CD1-CD1 4.46Å; I176-L196 HydrophobicContact CD1-CG 4.49Å; I176-L196 HydrophobicContact CG1-CD1 4.46Å; I176-L196 HydrophobicContact CG2-CD1 3.93Å; L179-L196 HydrophobicContact CD1-CD1 3.65Å; V184-L196 HydrophobicContact CB-CD1 4.42Å; V184-L196 HydrophobicContact CG1-CD1 4.13Å; V184-L196 HydrophobicContact CG1-CD2 3.91Å; V184-L196 HydrophobicContact CG2-CD1 3.94Å; M187-L196 HydrophobicContact CE-CB 3.92Å; M187-L196 HydrophobicContact SD-CB 4.37Å; M187-L196 HydrophobicContact SD-CD1 4.09Å; V188-L196 HydrophobicContact CG2-CD2 3.84Å; R192-L196 PolarHBondContact O-N 2.78Å; F193-L196 PolarHBondContact O-N 3.24Å; L196-Q198 PolarHBondContact O-N 2.63Å; L196-H199 WeakPolarHBondContact O-CB 3.34Å; L196-H199 PolarHBondContact O-N 3.38Å; L196-P224 HydrophobicContact CD2-CG 4.37Å; L196-W246 HydrophobicContact CB-CH2 4.13Å; L196-W246 HydrophobicContact CB-CZ3 4.43Å; L196-W246 HydrophobicContact CD2-CH2 3.57Å; L196-W246 HydrophobicContact CD2-CZ3 3.93Å; L196-W246 HydrophobicContact CG-CH2 3.78Å; L196-W246 HydrophobicContact CG-CZ3 3.8Å |
| 197 | L | 98.4 | Very high | 97.4 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.3 | -18 | 177 | -76.2 | 164.9 | 0 | 0 | 0 | 113.7 | F193 E195 H199 D200 L203 I220 W246 | F193-L197 WeakPolarHBondContact O-CB 3.45Å; F193-L197 WeakPolarHBondContact O-CD1 3.26Å; F193-L197 VanDerWaalsContact O-CG 3.22Å; F193-L197 WeakPolarHBondContact O-CG 3.39Å; F193-L197 PolarHBondContact O-N 3.25Å; E195-L197 VanDerWaalsContact C-N 3.25Å; E195-L197 PolarHBondContact O-N 3.21Å; L197-H199 PolarHBondContact O-N 2.87Å; L197-H199 VanDerWaalsContact O-N 3.16Å; L197-D200 HydrophobicContact CD2-CB 4.03Å; L197-D200 VanDerWaalsContact O-CB 3.31Å; L197-D200 WeakPolarHBondContact O-CB 3.08Å; L197-D200 PolarHBondContact O-N 2.77Å; L197-L203 HydrophobicContact CB-CD2 4.29Å; L197-I220 HydrophobicContact CD1-CB 3.95Å; L197-I220 HydrophobicContact CD1-CG2 4.33Å; L197-I220 HydrophobicContact CD2-CB 4.42Å; L197-I220 HydrophobicContact CD2-CD1 3.84Å; L197-I220 HydrophobicContact CD2-CG2 4.5Å; L197-W246 HydrophobicContact CD2-CD2 4.23Å; L197-W246 HydrophobicContact CD2-CE3 3.67Å; L197-W246 HydrophobicContact CD2-CH2 4.03Å; L197-W246 HydrophobicContact CD2-CZ3 3.55Å; L197-W246 HydrophobicContact CG-CE3 4.45Å; L197-W246 HydrophobicContact CG-CH2 3.94Å; L197-W246 HydrophobicContact CG-CZ3 3.85Å |
| 198 | Q | 97.9 | Very high | 97 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 58% | 0.575 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.4 | 171 | -55.7 | -52.5 | -55.8 | 0 | 0 | 112 | S194 E195 L196 N204 | S194-Q198 PolarHBondContact O-NE2 2.84Å; E195-Q198 VanDerWaalsContact O-CB 3.31Å; E195-Q198 WeakPolarHBondContact O-CB 3.27Å; E195-Q198 WeakPolarHBondContact O-CG 3.32Å; E195-Q198 PolarHBondContact O-N 2.88Å; E195-Q198 VanDerWaalsContact O-N 3.08Å; L196-Q198 PolarHBondContact O-N 2.63Å; Q198-N204 PolarHBondContact O-ND2 3.03Å; Q198-N204 PolarHBondContact O-OD1 3.3Å |
| 199 | H | 98.5 | Very high | 96.5 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 22% | 0.222 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -99.9 | 1.4 | 177.1 | -60.7 | -88.9 | 0 | 0 | 0 | 113 | I176 D177 L179 L196 L197 Q201 | I176-H199 WeakPolarHBondContact CA-O 3.26Å; I176-H199 HydrophobicContact CG2-CB 3.73Å; D177-H199 PolarHBondContact N-O 3.33Å; D177-H199 WeakPolarHBondContact O-CB 3.49Å; D177-H199 PolarHBondContact O-ND1 2.88Å; L179-H199 HydrophobicContact CD1-CB 4.32Å; L196-H199 WeakPolarHBondContact O-CB 3.34Å; L196-H199 PolarHBondContact O-N 3.38Å; L197-H199 PolarHBondContact O-N 2.87Å; L197-H199 VanDerWaalsContact O-N 3.16Å; H199-Q201 PolarHBondContact O-N 2.91Å |
| 200 | D | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 122.3 | 179.8 | -177.7 | 66.1 | 0 | 0 | 0 | 111.1 | I176 L197 L202 L203 N204 R249 | I176-D200 HydrophobicContact CD1-CB 4.32Å; L197-D200 HydrophobicContact CD2-CB 4.03Å; L197-D200 VanDerWaalsContact O-CB 3.31Å; L197-D200 WeakPolarHBondContact O-CB 3.08Å; L197-D200 PolarHBondContact O-N 2.77Å; D200-L202 PolarHBondContact O-N 3.14Å; D200-L202 PolarHBondContact OD2-N 3.41Å; D200-L203 HydrophobicContact CB-CB 4.17Å; D200-L203 PolarHBondContact O-N 2.92Å; D200-L203 PolarHBondContact OD2-N 3.32Å; D200-N204 WeakPolarHBondContact O-CB 3.13Å; D200-N204 VanDerWaalsContact O-CG 3.31Å; D200-N204 PolarHBondContact O-N 2.9Å; D200-N204 VanDerWaalsContact O-N 3.1Å; D200-N204 PolarHBondContact O-ND2 2.82Å; D200-R249 IonicContact OD1-NH1 2.67Å; D200-R249 PolarHBondContact OD1-NH1 3Å; D200-R249 VanDerWaalsContact OD1-NH1 3.07Å; D200-R249 IonicContact OD2-CZ 3.32Å; D200-R249 IonicContact OD2-NH1 3.65Å; D200-R249 PolarHBondContact OD2-NH1 3.15Å; D200-R249 IonicContact OD2-NH2 3.34Å; D200-R249 PolarHBondContact OD2-NH2 2.92Å; D200-R249 VanDerWaalsContact OD2-NH2 3.13Å |
| 201 | Q | 98.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | -176.7 | -71.3 | 176.4 | -16.1 | 0 | 0 | 113.1 | R133 K136 F174 R175 D177 H199 M205 | R133-Q201 PolarHBondContact O-NE2 3.07Å; K136-Q201 HydrophobicContact CD-CB 4.26Å; K136-Q201 HydrophobicContact CD-CG 3.84Å; K136-Q201 HydrophobicContact CG-CG 4.29Å; F174-Q201 HydrophobicContact CB-CB 4.16Å; F174-Q201 HydrophobicContact CD1-CB 3.81Å; F174-Q201 HydrophobicContact CG-CB 4.47Å; R175-Q201 WeakPolarHBondContact O-CB 3.31Å; R175-Q201 WeakPolarHBondContact O-CG 3.43Å; R175-Q201 PolarHBondContact O-N 3.38Å; D177-Q201 PolarHBondContact OD1-NE2 2.92Å; D177-Q201 WeakPolarHBondContact OD2-CG 3.44Å; D177-Q201 PolarHBondContact OD2-NE2 2.87Å; H199-Q201 PolarHBondContact O-N 2.91Å; Q201-M205 WeakPolarHBondContact O-CB 3.33Å; Q201-M205 VanDerWaalsContact O-CG 3.23Å; Q201-M205 WeakPolarHBondContact O-CG 3.41Å; Q201-M205 PolarHBondContact O-N 2.95Å |
| 202 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -49 | -179.2 | 177.5 | 58.3 | 0 | 0 | 0 | 110.4 | L172 F174 D200 N204 M205 K206 L211 F212 R249 L251 | L172-L202 HydrophobicContact CD1-CD2 4.22Å; F174-L202 HydrophobicContact CB-CB 3.77Å; F174-L202 HydrophobicContact CD1-CB 4.09Å; F174-L202 HydrophobicContact CD2-CB 3.65Å; F174-L202 HydrophobicContact CD2-CD1 3.85Å; F174-L202 HydrophobicContact CD2-CD2 4.2Å; F174-L202 HydrophobicContact CD2-CG 4.09Å; F174-L202 HydrophobicContact CE2-CB 4.27Å; F174-L202 HydrophobicContact CE2-CD1 3.58Å; F174-L202 HydrophobicContact CE2-CG 4.33Å; F174-L202 HydrophobicContact CG-CB 3.56Å; F174-L202 HydrophobicContact CG-CD1 4.44Å; F174-L202 HydrophobicContact CG-CG 4.46Å; F174-L202 HydrophobicContact CZ-CD1 3.97Å; D200-L202 PolarHBondContact O-N 3.14Å; D200-L202 PolarHBondContact OD2-N 3.41Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 2.82Å; L202-M205 PolarHBondContact O-N 3.36Å; L202-K206 VanDerWaalsContact O-CB 3.26Å; L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 PolarHBondContact O-N 3.05Å; L202-L211 HydrophobicContact CD1-CD1 4.15Å; L202-F212 HydrophobicContact CD1-CD2 3.71Å; L202-F212 HydrophobicContact CD1-CE2 4.1Å; L202-R249 HydrophobicContact CD2-CB 4.36Å; L202-R249 HydrophobicContact CD2-CG 3.96Å; L202-L251 HydrophobicContact CD2-CD1 4.19Å; L202-L251 HydrophobicContact CD2-CD2 4.37Å |
| 203 | L | 97 | Very high | 94.3 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 179.7 | -174.4 | 60.4 | 0 | 0 | 0 | 111.3 | L197 D200 K206 N207 | L197-L203 HydrophobicContact CB-CD2 4.29Å; D200-L203 HydrophobicContact CB-CB 4.17Å; D200-L203 PolarHBondContact O-N 2.92Å; D200-L203 PolarHBondContact OD2-N 3.32Å; L203-K206 PolarHBondContact O-N 2.61Å; L203-N207 WeakPolarHBondContact O-CB 3.4Å; L203-N207 PolarHBondContact O-N 2.72Å; L203-N207 PolarHBondContact O-ND2 3.35Å |
| 204 | N | 97.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 178.6 | -70.7 | -24.7 | 0 | 0 | 0 | 112 | Q198 D200 L202 K206 N207 D208 | Q198-N204 PolarHBondContact O-ND2 3.03Å; Q198-N204 PolarHBondContact O-OD1 3.3Å; D200-N204 WeakPolarHBondContact O-CB 3.13Å; D200-N204 VanDerWaalsContact O-CG 3.31Å; D200-N204 PolarHBondContact O-N 2.9Å; D200-N204 VanDerWaalsContact O-N 3.1Å; D200-N204 PolarHBondContact O-ND2 2.82Å; L202-N204 VanDerWaalsContact C-N 3.31Å; L202-N204 PolarHBondContact O-N 2.82Å; N204-K206 VanDerWaalsContact C-N 3.29Å; N204-K206 PolarHBondContact O-N 2.8Å; N204-N207 WeakPolarHBondContact O-CB 3.48Å; N204-N207 PolarHBondContact O-N 3.5Å; N204-N207 VanDerWaalsContact O-N 3.15Å; N204-D208 VanDerWaalsContact O-CG 3.3Å; N204-D208 PolarHBondContact O-N 3.09Å |
| 205 | M | 96.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.6 | -30.4 | 179.7 | -67 | 179.3 | 71 | 0 | 0 | 113.1 | K136 L140 F174 Q201 L202 K209 L210 L211 | K136-M205 HydrophobicContact CB-CE 4.39Å; K136-M205 HydrophobicContact CB-SD 3.96Å; K136-M205 HydrophobicContact CD-SD 4.03Å; K136-M205 HydrophobicContact CG-SD 4.11Å; L140-M205 HydrophobicContact CB-CE 4.11Å; F174-M205 HydrophobicContact CD1-SD 4.36Å; F174-M205 HydrophobicContact CE1-SD 3.72Å; Q201-M205 WeakPolarHBondContact O-CB 3.33Å; Q201-M205 VanDerWaalsContact O-CG 3.23Å; Q201-M205 WeakPolarHBondContact O-CG 3.41Å; Q201-M205 PolarHBondContact O-N 2.95Å; L202-M205 PolarHBondContact O-N 3.36Å; M205-K209 PolarHBondContact O-N 3.03Å; M205-L210 HydrophobicContact CB-CB 4.48Å; M205-L210 HydrophobicContact CB-CD1 4.24Å; M205-L210 HydrophobicContact CE-CD1 4.14Å; M205-L210 HydrophobicContact CG-CD1 4.23Å; M205-L210 WeakPolarHBondContact O-CB 3.32Å; M205-L210 PolarHBondContact O-N 3.1Å; M205-L211 HydrophobicContact CB-CD2 3.49Å; M205-L211 VanDerWaalsContact CB-CD2 3.49Å; M205-L211 HydrophobicContact CE-CD2 3.73Å; M205-L211 HydrophobicContact CG-CD2 4.45Å; M205-L211 HydrophobicContact SD-CD2 4.33Å |
| 206 | K | 91.1 | Very high | 93 | Very high | 42 Ų | 42 | 48.4 Ų | 48.4 | 18% | 0.183 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 172 | -172.2 | -173.2 | -173.4 | -57.8 | 0 | 111.6 | L202 L203 N204 D208 K209 F212 F215 | L202-K206 VanDerWaalsContact O-CB 3.26Å; L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 PolarHBondContact O-N 3.05Å; L203-K206 PolarHBondContact O-N 2.61Å; N204-K206 VanDerWaalsContact C-N 3.29Å; N204-K206 PolarHBondContact O-N 2.8Å; K206-D208 VanDerWaalsContact C-N 3.29Å; K206-D208 PolarHBondContact O-N 3.14Å; K206-K209 WeakPolarHBondContact O-CA 3.21Å; K206-K209 PolarHBondContact O-N 3.36Å; K206-F212 VanDerWaalsContact CE-O 3.26Å; K206-F212 WeakPolarHBondContact CE-O 3.36Å; K206-F212 HydrophobicContact CG-CB 4.47Å; K206-F215 WeakPolarHBondContact CE-O 2.95Å; K206-F215 PolarHBondContact NZ-O 3.45Å |
| 207 | N | 90.9 | Very high | 92.9 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 55% | 0.545 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -37 | 175.4 | -70.9 | -20.7 | 0 | 0 | 0 | 111.7 | L203 N204 K209 | L203-N207 WeakPolarHBondContact O-CB 3.4Å; L203-N207 PolarHBondContact O-N 2.72Å; L203-N207 PolarHBondContact O-ND2 3.35Å; N204-N207 WeakPolarHBondContact O-CB 3.48Å; N204-N207 PolarHBondContact O-N 3.5Å; N204-N207 VanDerWaalsContact O-N 3.15Å; N207-K209 PolarHBondContact O-N 3.04Å |
| 208 | D | 91.9 | Very high | 92.9 | Very high | 112 Ų | 112 | 49.9 Ų | 49.9 | 60% | 0.599 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 2 | 172.5 | -65 | -20.8 | 0 | 0 | 0 | 113 | N204 K206 L210 | N204-D208 VanDerWaalsContact O-CG 3.3Å; N204-D208 PolarHBondContact O-N 3.09Å; K206-D208 VanDerWaalsContact C-N 3.29Å; K206-D208 PolarHBondContact O-N 3.14Å; D208-L210 VanDerWaalsContact C-N 3.25Å; D208-L210 HydrophobicContact CB-CD1 4.14Å; D208-L210 HydrophobicContact CB-CG 3.92Å; D208-L210 PolarHBondContact O-N 3.33Å |
| 209 | K | 88.2 | Confident | 92.9 | Very high | 147 Ų | 147 | 49.9 Ų | 49.9 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 29.7 | 178.4 | -50 | -171.7 | 173 | -171.7 | 0 | 114.3 | M205 K206 N207 | M205-K209 PolarHBondContact O-N 3.03Å; K206-K209 WeakPolarHBondContact O-CA 3.21Å; K206-K209 PolarHBondContact O-N 3.36Å; N207-K209 PolarHBondContact O-N 3.04Å |
| 210 | L | 85.3 | Confident | 92.9 | Very high | 89 Ų | 89 | 48.2 Ų | 48.2 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -82.2 | -34.4 | -178.4 | -59.2 | 177.5 | 0 | 0 | 0 | 112.7 | L140 M205 D208 | L140-L210 VanDerWaalsContact CD1-O 3.26Å; L140-L210 WeakPolarHBondContact CD1-O 3.43Å; M205-L210 HydrophobicContact CB-CB 4.48Å; M205-L210 HydrophobicContact CB-CD1 4.24Å; M205-L210 HydrophobicContact CE-CD1 4.14Å; M205-L210 HydrophobicContact CG-CD1 4.23Å; M205-L210 WeakPolarHBondContact O-CB 3.32Å; M205-L210 PolarHBondContact O-N 3.1Å; D208-L210 VanDerWaalsContact C-N 3.25Å; D208-L210 HydrophobicContact CB-CD1 4.14Å; D208-L210 HydrophobicContact CB-CG 3.92Å; D208-L210 PolarHBondContact O-N 3.33Å |
| 211 | L | 91.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -151.5 | 163.5 | 177.1 | 66.4 | 154.8 | 0 | 0 | 0 | 110.9 | L140 Y143 F174 L202 M205 H213 | L140-L211 HydrophobicContact CD1-CB 3.97Å; L140-L211 HydrophobicContact CD1-CD2 4.33Å; Y143-L211 HydrophobicContact CD1-CB 3.55Å; Y143-L211 HydrophobicContact CD2-CB 4.39Å; Y143-L211 HydrophobicContact CE1-CB 3.72Å; Y143-L211 HydrophobicContact CG-CB 3.91Å; Y143-L211 HydrophobicContact CG-CD1 4.27Å; F174-L211 HydrophobicContact CE2-CD1 4.21Å; F174-L211 HydrophobicContact CZ-CD1 3.64Å; L202-L211 HydrophobicContact CD1-CD1 4.15Å; M205-L211 HydrophobicContact CB-CD2 3.49Å; M205-L211 VanDerWaalsContact CB-CD2 3.49Å; M205-L211 HydrophobicContact CE-CD2 3.73Å; M205-L211 HydrophobicContact CG-CD2 4.45Å; M205-L211 HydrophobicContact SD-CD2 4.33Å; L211-H213 PolarHBondContact O-N 3.28Å |
| 212 | F | 89.1 | Confident | 92.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | 52.4 | 30.9 | 176.2 | -65.9 | -59.6 | 0 | 0 | 0 | 114 | F129 Y143 W168 L172 L202 K206 D214 F215 L251 | F129-F212 HydrophobicContact CE2-CE2 4.19Å; F129-F212 HydrophobicContact CE2-CZ 4.25Å; F129-F212 HydrophobicContact CZ-CZ 4.23Å; Y143-F212 HydrophobicContact CD2-CD1 4Å; Y143-F212 HydrophobicContact CD2-CD2 4.36Å; Y143-F212 AromaticContact CD2-CE1 3.56Å; Y143-F212 HydrophobicContact CD2-CE1 3.56Å; Y143-F212 AromaticContact CD2-CE2 3.98Å; Y143-F212 HydrophobicContact CD2-CE2 3.98Å; Y143-F212 HydrophobicContact CD2-CG 4.37Å; Y143-F212 AromaticContact CD2-CZ 3.55Å; Y143-F212 HydrophobicContact CD2-CZ 3.55Å; Y143-F212 AromaticContact CE2-CD1 3.47Å; Y143-F212 HydrophobicContact CE2-CD1 3.47Å; Y143-F212 VanDerWaalsContact CE2-CD1 3.47Å; Y143-F212 HydrophobicContact CE2-CD2 4.43Å; Y143-F212 AromaticContact CE2-CE1 3.42Å; Y143-F212 HydrophobicContact CE2-CE1 3.42Å; Y143-F212 VanDerWaalsContact CE2-CE1 3.42Å; Y143-F212 HydrophobicContact CE2-CE2 4.4Å; Y143-F212 AromaticContact CE2-CG 3.99Å; Y143-F212 HydrophobicContact CE2-CG 3.99Å; Y143-F212 AromaticContact CE2-CZ 3.92Å; Y143-F212 HydrophobicContact CE2-CZ 3.92Å; Y143-F212 PolarHBondContact OH-N 3.01Å; W168-F212 HydrophobicContact CB-CE1 4.26Å; W168-F212 AromaticContact CD1-CZ 3.84Å; W168-F212 AromaticContact CD2-CE1 3.46Å; W168-F212 HydrophobicContact CD2-CE1 3.46Å; W168-F212 VanDerWaalsContact CD2-CE1 3.46Å; W168-F212 AromaticContact CD2-CZ 3.86Å; W168-F212 HydrophobicContact CD2-CZ 3.86Å; W168-F212 AromaticContact CE2-CE1 3.72Å; W168-F212 AromaticContact CE2-CZ 3.63Å; W168-F212 AromaticContact CE3-CE1 3.77Å; W168-F212 HydrophobicContact CE3-CE1 3.77Å; W168-F212 AromaticContact CG-CE1 3.67Å; W168-F212 HydrophobicContact CG-CE1 3.67Å; W168-F212 AromaticContact CG-CZ 4Å; W168-F212 HydrophobicContact CG-CZ 4Å; W168-F212 HydrophobicContact CH2-CE1 4.47Å; W168-F212 HydrophobicContact CZ2-CE1 4.25Å; W168-F212 HydrophobicContact CZ2-CZ 4.11Å; W168-F212 HydrophobicContact CZ3-CE1 4.26Å; W168-F212 AromaticContact NE1-CZ 3.62Å; L172-F212 HydrophobicContact CD1-CE2 4.13Å; L172-F212 HydrophobicContact CD1-CZ 4.26Å; L202-F212 HydrophobicContact CD1-CD2 3.71Å; L202-F212 HydrophobicContact CD1-CE2 4.1Å; K206-F212 VanDerWaalsContact CE-O 3.26Å; K206-F212 WeakPolarHBondContact CE-O 3.36Å; K206-F212 HydrophobicContact CG-CB 4.47Å; F212-D214 VanDerWaalsContact C-N 3.32Å; F212-D214 PolarHBondContact O-N 3.09Å; F212-F215 HydrophobicContact CB-CB 4.05Å; F212-F215 HydrophobicContact CB-CD2 4.35Å; F212-F215 HydrophobicContact CB-CG 4.41Å; F212-F215 HydrophobicContact CD1-CB 4.27Å; F212-F215 HydrophobicContact CD1-CD1 4.24Å; F212-F215 AromaticContact CD1-CD2 3.81Å; F212-F215 HydrophobicContact CD1-CD2 3.81Å; F212-F215 HydrophobicContact CD1-CE2 4.17Å; F212-F215 AromaticContact CD1-CG 3.84Å; F212-F215 HydrophobicContact CD1-CG 3.84Å; F212-F215 PolarHBondContact O-N 3.11Å; F212-F215 VanDerWaalsContact O-N 3.1Å; F212-L251 HydrophobicContact CB-CD2 3.98Å; F212-L251 HydrophobicContact CD1-CD2 4.25Å; F212-L251 HydrophobicContact CD2-CD2 4.12Å; F212-L251 HydrophobicContact CG-CD2 3.88Å | ||
| 213 | H | 80.1 | Confident | 92.8 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -48.1 | -175.2 | 175.5 | -92.5 | 0 | 0 | 0 | 112 | L211 F215 | L211-H213 PolarHBondContact O-N 3.28Å; H213-F215 VanDerWaalsContact C-N 3.31Å; H213-F215 PolarHBondContact O-N 3.01Å |
| 214 | D | 82.2 | Confident | 92.9 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 31% | 0.31 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.9 | -177 | -60.6 | -24.9 | 0 | 0 | 0 | 113.7 | F212 M253 H262 | F212-D214 VanDerWaalsContact C-N 3.32Å; F212-D214 PolarHBondContact O-N 3.09Å; D214-M253 HydrophobicContact CB-CG 4.24Å; D214-M253 HydrophobicContact CB-SD 3.67Å; D214-M253 WeakPolarHBondContact O-CG 3.28Å; D214-H262 IonicContact OD2-CD2 2.73Å; D214-H262 PolarHBondContact OD2-CD2 3.05Å; D214-H262 IonicContact OD2-CG 3.91Å |
| 215 | F | 89.7 | Confident | 92.9 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | trans | -87.6 | 152.3 | 179.9 | -71.5 | -107.5 | 0 | 0 | 0 | 110.7 | V166 W168 K206 F212 H213 L251 Y252 M253 | V166-F215 HydrophobicContact CB-CE1 4.14Å; V166-F215 HydrophobicContact CB-CZ 4.38Å; V166-F215 HydrophobicContact CG1-CE1 3.63Å; V166-F215 HydrophobicContact CG1-CZ 3.77Å; W168-F215 HydrophobicContact CB-CD1 4.41Å; W168-F215 HydrophobicContact CB-CE1 4.03Å; W168-F215 HydrophobicContact CE3-CE1 4.34Å; W168-F215 HydrophobicContact CE3-CZ 4.15Å; K206-F215 WeakPolarHBondContact CE-O 2.95Å; K206-F215 PolarHBondContact NZ-O 3.45Å; F212-F215 HydrophobicContact CB-CB 4.05Å; F212-F215 HydrophobicContact CB-CD2 4.35Å; F212-F215 HydrophobicContact CB-CG 4.41Å; F212-F215 HydrophobicContact CD1-CB 4.27Å; F212-F215 HydrophobicContact CD1-CD1 4.24Å; F212-F215 AromaticContact CD1-CD2 3.81Å; F212-F215 HydrophobicContact CD1-CD2 3.81Å; F212-F215 HydrophobicContact CD1-CE2 4.17Å; F212-F215 AromaticContact CD1-CG 3.84Å; F212-F215 HydrophobicContact CD1-CG 3.84Å; F212-F215 PolarHBondContact O-N 3.11Å; F212-F215 VanDerWaalsContact O-N 3.1Å; H213-F215 VanDerWaalsContact C-N 3.31Å; H213-F215 PolarHBondContact O-N 3.01Å; F215-L251 HydrophobicContact CB-CB 4.13Å; F215-L251 HydrophobicContact CB-CD2 4.25Å; F215-L251 HydrophobicContact CD1-CB 4.05Å; F215-Y252 CarbonylContact C-O 3.52Å; F215-Y252 WeakPolarHBondContact CA-O 3.47Å; F215-M253 HydrophobicContact CD1-CB 3.92Å; F215-M253 HydrophobicContact CD2-CB 4.33Å; F215-M253 HydrophobicContact CE1-CB 3.97Å; F215-M253 HydrophobicContact CE2-CB 4.38Å; F215-M253 HydrophobicContact CE2-SD 4.32Å; F215-M253 HydrophobicContact CG-CB 4.12Å; F215-M253 HydrophobicContact CZ-CB 4.2Å | ||
| 216 | N | 93 | Very high | 93 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 153.1 | 172.8 | -61.3 | -80.4 | 0 | 0 | 0 | 108.8 | L251 Y252 | N216-L251 CarbonylContact O-C 3.58Å; N216-L251 VanDerWaalsContact O-CA 3.27Å; N216-L251 WeakPolarHBondContact O-CA 3.49Å; N216-Y252 HydrophobicContact CB-CD1 4.13Å; N216-Y252 HydrophobicContact CB-CD2 4.34Å; N216-Y252 HydrophobicContact CB-CE1 3.63Å; N216-Y252 HydrophobicContact CB-CE2 3.85Å; N216-Y252 HydrophobicContact CB-CG 4.47Å; N216-Y252 VanDerWaalsContact CB-CZ 3.47Å; N216-Y252 PolarHBondContact N-O 3.35Å; N216-Y252 VanDerWaalsContact O-CD1 3.25Å; N216-Y252 WeakPolarHBondContact O-CD1 3.41Å; N216-Y252 PolarHBondContact O-N 2.99Å |
| 217 | E | 97.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.4 | 170.3 | -170.6 | 179.5 | -173.5 | 0 | 0 | 108.2 | R249 L251 Y313 | E217-R249 IonicContact OE1-CZ 3.48Å; E217-R249 IonicContact OE1-NE 3.53Å; E217-R249 PolarHBondContact OE1-NE 2.88Å; E217-R249 IonicContact OE1-NH2 3.65Å; E217-R249 PolarHBondContact OE1-NH2 3.34Å; E217-R249 IonicContact OE2-CZ 3.99Å; E217-R249 IonicContact OE2-NE 2.99Å; E217-R249 PolarHBondContact OE2-NE 3.38Å; E217-R249 IonicContact OE2-NH2 3.79Å; E217-R249 PolarHBondContact OE2-NH2 2.82Å; E217-L251 HydrophobicContact CB-CG 4.4Å; E217-Y313 HydrophobicContact CG-CE1 3.73Å; E217-Y313 PolarHBondContact OE1-OH 2.88Å |
| 218 | G | 97.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | trans | -65.4 | 155.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I220 Y313 | G218-I220 PolarHBondContact O-N 2.9Å; G218-I220 VanDerWaalsContact O-N 3.1Å; G218-Y313 VanDerWaalsContact C-CD1 3.46Å; G218-Y313 VanDerWaalsContact CA-CD1 3.47Å; G218-Y313 VanDerWaalsContact O-CD1 3.29Å; G218-Y313 WeakPolarHBondContact O-CD1 3.44Å; G218-Y313 VanDerWaalsContact O-CE1 3.3Å; G218-Y313 WeakPolarHBondContact O-CE1 3.43Å | ||
| 219 | T | 97.7 | Very high | 94.1 | Very high | 124 Ų | 124 | 42.1 Ų | 42.1 | 76% | 0.761 | 23% | 0.225 | S | C | * | . | trans | -60.7 | 116.4 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | S221 | T219-S221 PolarHBondContact O-N 2.62Š| ||
| 220 | I | 98.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | trans | -71.5 | 111.4 | 175.3 | -62.9 | 171.5 | 0 | 0 | 0 | 108.8 | L197 G218 F222 W246 Y313 | L197-I220 HydrophobicContact CD1-CB 3.95Å; L197-I220 HydrophobicContact CD1-CG2 4.33Å; L197-I220 HydrophobicContact CD2-CB 4.42Å; L197-I220 HydrophobicContact CD2-CD1 3.84Å; L197-I220 HydrophobicContact CD2-CG2 4.5Å; G218-I220 PolarHBondContact O-N 2.9Å; G218-I220 VanDerWaalsContact O-N 3.1Å; I220-F222 HydrophobicContact CB-CE1 4.45Å; I220-F222 HydrophobicContact CG1-CE1 4.39Å; I220-F222 HydrophobicContact CG1-CZ 4.3Å; I220-F222 HydrophobicContact CG2-CD1 4.29Å; I220-F222 HydrophobicContact CG2-CD2 4.4Å; I220-F222 HydrophobicContact CG2-CE1 4.16Å; I220-F222 HydrophobicContact CG2-CE2 4.27Å; I220-F222 HydrophobicContact CG2-CG 4.43Å; I220-F222 HydrophobicContact CG2-CZ 4.15Å; I220-W246 HydrophobicContact CD1-CG 4.45Å; I220-W246 HydrophobicContact CG2-CD2 4.23Å; I220-W246 HydrophobicContact CG2-CG 4.32Å; I220-W246 HydrophobicContact CG2-CZ2 4.05Å; I220-W246 VanDerWaalsContact CG2-NE1 3.32Å; I220-Y313 HydrophobicContact CG1-CE1 3.82Å | ||
| 221 | S | 97.3 | Very high | 94.9 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 59% | 0.587 | 22% | 0.218 | S | C | * | . | trans | -122.2 | 15.1 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | T219 | T219-S221 PolarHBondContact O-N 2.62Š| ||
| 222 | F | 98.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -122.7 | 156.1 | -177.2 | 55.5 | -92.9 | 0 | 0 | 0 | 110.3 | I220 T225 W246 Y313 S315 V327 | I220-F222 HydrophobicContact CB-CE1 4.45Å; I220-F222 HydrophobicContact CG1-CE1 4.39Å; I220-F222 HydrophobicContact CG1-CZ 4.3Å; I220-F222 HydrophobicContact CG2-CD1 4.29Å; I220-F222 HydrophobicContact CG2-CD2 4.4Å; I220-F222 HydrophobicContact CG2-CE1 4.16Å; I220-F222 HydrophobicContact CG2-CE2 4.27Å; I220-F222 HydrophobicContact CG2-CG 4.43Å; I220-F222 HydrophobicContact CG2-CZ 4.15Å; F222-T225 HydrophobicContact CD2-CG2 4.42Å; F222-T225 HydrophobicContact CE2-CG2 3.99Å; F222-W246 AromaticContact CD2-CD1 3.99Å; F222-W246 AromaticContact CD2-NE1 3.92Å; F222-W246 AromaticContact CE2-CD1 3.65Å; F222-W246 PolarHBondContact O-NE1 3.08Å; F222-Y313 AromaticContact CE1-CD1 3.95Å; F222-Y313 HydrophobicContact CE1-CD1 3.95Å; F222-Y313 AromaticContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CG 4.38Å; F222-Y313 HydrophobicContact CZ-CE1 4.1Å; F222-S315 VanDerWaalsContact CD2-CB 3.49Å; F222-S315 VanDerWaalsContact CD2-OG 3.28Å; F222-S315 WeakPolarHBondContact CD2-OG 3.28Å; F222-V327 HydrophobicContact CE2-CG2 4.23Å; F222-V327 HydrophobicContact CZ-CG1 4.32Å; F222-V327 HydrophobicContact CZ-CG2 4.45Å |
| 223 | P | 98.5 | Very high | 95.6 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | trans | -67.5 | 162.2 | -178.4 | 29.2 | -36.5 | 0 | 0 | 0 | 112.8 | V188 F193 W246 | V188-P223 HydrophobicContact CG1-CB 4Å; F193-P223 HydrophobicContact CE1-CB 4.1Å; F193-P223 HydrophobicContact CZ-CB 3.99Å; P223-W246 PolarHBondContact O-NE1 2.96Å | ||
| 224 | P | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -45 | 140.3 | 172.5 | -33.4 | 38.6 | 0 | 0 | 0 | 114 | V188 L196 F228 Y235 P244 W246 | V188-P224 HydrophobicContact CG2-CG 3.8Å; L196-P224 HydrophobicContact CD2-CG 4.37Å; P224-F228 WeakPolarHBondContact O-CE2 3.14Å; P224-F228 WeakPolarHBondContact O-CZ 3.47Å; P224-Y235 HydrophobicContact CB-CE1 4.32Å; P224-Y235 PolarHBondContact O-OH 3.19Å; P224-P244 HydrophobicContact CB-CB 3.76Å; P224-P244 HydrophobicContact CG-CB 4.01Å; P224-W246 HydrophobicContact CG-CD2 4.22Å; P224-W246 HydrophobicContact CG-CE3 4.47Å; P224-W246 HydrophobicContact CG-CH2 4.25Å; P224-W246 HydrophobicContact CG-CZ2 3.96Å; P224-W246 HydrophobicContact CG-CZ3 4.48Å | ||
| 225 | T | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -90.1 | -13.1 | -174.2 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | F222 F228 A245 T247 D248 H324 R325 V327 | F222-T225 HydrophobicContact CD2-CG2 4.42Å; F222-T225 HydrophobicContact CE2-CG2 3.99Å; T225-F228 WeakPolarHBondContact O-CE2 3.31Å; T225-A245 PolarHBondContact N-O 2.84Å; T225-A245 VanDerWaalsContact N-O 3.07Å; T225-T247 PolarHBondContact OG1-N 3.23Å; T225-T247 PolarHBondContact OG1-OG1 3.38Å; T225-D248 HydrophobicContact CG2-CB 4.47Å; T225-D248 PolarHBondContact OG1-N 3.23Å; T225-D248 PolarHBondContact OG1-OD2 3.41Å; T225-H324 CarbonylContact O-C 3.42Å; T225-H324 VanDerWaalsContact O-CA 3.23Å; T225-H324 WeakPolarHBondContact O-CA 3.21Å; T225-R325 HydrophobicContact CG2-CB 4.44Å; T225-R325 PolarHBondContact O-N 3.29Å; T225-V327 HydrophobicContact CG2-CG2 3.58Å | ||
| 226 | F | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -140 | 148.6 | -178.3 | 173.1 | -93.1 | 0 | 0 | 0 | 110.3 | R242 P244 A245 T247 H324 | F226-R242 HydrophobicContact CE1-CB 4.18Å; F226-R242 HydrophobicContact CE1-CG 4.28Å; F226-R242 HydrophobicContact CZ-CG 4.42Å; F226-P244 CarbonylContact O-C 3.54Å; F226-P244 WeakPolarHBondContact O-CA 3.48Å; F226-A245 PolarHBondContact N-O 2.92Å; F226-A245 PolarHBondContact O-N 2.83Å; F226-T247 HydrophobicContact CB-CG2 3.84Å; F226-T247 WeakPolarHBondContact CB-OG1 2.98Å; F226-T247 HydrophobicContact CD1-CG2 4.05Å; F226-T247 HydrophobicContact CG-CG2 4.07Å; F226-H324 AromaticContact CD2-CD2 3.53Å; F226-H324 AromaticContact CD2-CE1 3.28Å; F226-H324 WeakPolarHBondContact CD2-CE1 3.16Å; F226-H324 AromaticContact CD2-CG 3.94Å; F226-H324 AromaticContact CD2-ND1 3.8Å; F226-H324 AromaticContact CD2-NE2 3.04Å; F226-H324 WeakPolarHBondContact CD2-NE2 3.15Å; F226-H324 AromaticContact CE2-CE1 3.94Å; F226-H324 AromaticContact CE2-NE2 3.36Å; F226-H324 WeakPolarHBondContact CE2-NE2 3.08Å; F226-H324 AromaticContact CG-CE1 3.84Å |
| 227 | K | 98.3 | Very high | 97.8 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | cis | -112.5 | 132.8 | -6.3 | -171.8 | -178.8 | 173.1 | 92.3 | 0 | 108.9 | Y235 D236 R242 D323 | K227-Y235 CarbonylContact O-C 3.6Å; K227-Y235 WeakPolarHBondContact O-CA 3.25Å; K227-D236 HydrophobicContact CB-CB 4.15Å; K227-D236 HydrophobicContact CD-CB 4.19Å; K227-D236 HydrophobicContact CG-CB 4.35Å; K227-D236 PolarHBondContact O-N 3.05Å; K227-R242 HydrophobicContact CB-CB 4.12Å; K227-R242 HydrophobicContact CD-CB 4.24Å; K227-R242 HydrophobicContact CD-CG 3.85Å; K227-D323 WeakPolarHBondContact CA-O 3.34Å; K227-D323 WeakPolarHBondContact CE-OD2 3.48Å; K227-D323 HydrophobicContact CG-CB 3.89Å; K227-D323 IonicContact NZ-OD2 3.73Å; K227-D323 PolarHBondContact NZ-OD2 2.92Å | ||
| 228 | F | 98.5 | Very high | 97.8 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -100.5 | 153.8 | 175.4 | -65.2 | -88.9 | 0 | 0 | 0 | 111.5 | P224 T225 K230 T234 Y235 D323 R325 | P224-F228 WeakPolarHBondContact O-CE2 3.14Å; P224-F228 WeakPolarHBondContact O-CZ 3.47Å; T225-F228 WeakPolarHBondContact O-CE2 3.31Å; F228-K230 PolarHBondContact O-N 3.27Å; F228-T234 CarbonylContact C-O 3.28Å; F228-T234 WeakPolarHBondContact CA-O 3.05Å; F228-Y235 HydrophobicContact CD1-CD1 4.02Å; F228-Y235 HydrophobicContact CD1-CE1 4.15Å; F228-Y235 AromaticContact CE1-CD1 3.77Å; F228-Y235 HydrophobicContact CE1-CD1 3.77Å; F228-Y235 AromaticContact CE1-CE1 3.45Å; F228-Y235 HydrophobicContact CE1-CE1 3.45Å; F228-Y235 VanDerWaalsContact CE1-CE1 3.45Å; F228-Y235 HydrophobicContact CE1-CG 4.45Å; F228-Y235 AromaticContact CE1-CZ 3.88Å; F228-Y235 HydrophobicContact CE2-CD1 4.38Å; F228-Y235 AromaticContact CE2-CE1 3.84Å; F228-Y235 HydrophobicContact CE2-CE1 3.84Å; F228-Y235 HydrophobicContact CG-CD1 4.46Å; F228-Y235 AromaticContact CZ-CD1 3.97Å; F228-Y235 HydrophobicContact CZ-CD1 3.97Å; F228-Y235 AromaticContact CZ-CE1 3.27Å; F228-Y235 HydrophobicContact CZ-CE1 3.27Å; F228-Y235 AromaticContact CZ-CZ 3.8Å; F228-D323 PolarHBondContact N-O 3.38Å; F228-D323 WeakPolarHBondContact O-CB 3.33Å; F228-R325 HydrophobicContact CD2-CG 4Å; F228-R325 HydrophobicContact CE2-CG 3.51Å; F228-R325 HydrophobicContact CZ-CG 4.07Å |
| 229 | D | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.193 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 122.3 | 158.8 | -63.4 | -27.2 | 0 | 0 | 0 | 107.9 | G231 T232 T234 D236 S237 | D229-G231 PolarHBondContact O-N 3.09Å; D229-T232 HydrophobicContact CB-CG2 4.44Å; D229-T232 WeakPolarHBondContact CB-OG1 3.13Å; D229-T232 PolarHBondContact O-N 3.22Å; D229-T232 PolarHBondContact O-OG1 3.45Å; D229-T234 PolarHBondContact N-O 3.45Å; D229-D236 WeakPolarHBondContact OD1-CA 3.41Å; D229-S237 VanDerWaalsContact CG-OG 3.25Å; D229-S237 PolarHBondContact OD1-N 2.78Å; D229-S237 PolarHBondContact OD1-OG 2.87Å; D229-S237 WeakPolarHBondContact OD2-CB 3.37Å; D229-S237 PolarHBondContact OD2-N 3.11Å; D229-S237 PolarHBondContact OD2-OG 3.37Å |
| 230 | K | 96.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 134.3 | -177 | -68.2 | -175.6 | 171.5 | -174.8 | 0 | 111.1 | G14 E16 F228 T232 D323 | G14-K230 PolarHBondContact O-NZ 3.39Å; E16-K230 IonicContact OE1-NZ 3.18Å; E16-K230 PolarHBondContact OE1-NZ 3.04Å; F228-K230 PolarHBondContact O-N 3.27Å; K230-T232 VanDerWaalsContact C-N 3.33Å; K230-D323 HydrophobicContact CG-CB 4.16Å |
| 231 | G | 95.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D229 K320 | D229-G231 PolarHBondContact O-N 3.09Å; G231-K320 WeakPolarHBondContact CA-O 3.36Å; G231-K320 PolarHBondContact N-O 3.31Å |
| 232 | T | 97.5 | Very high | 97.3 | Very high | 51 Ų | 51 | 57 Ų | 57 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -130.1 | 169.8 | -173.8 | 81.8 | 0 | 0 | 0 | 0 | 112.2 | D229 K230 T234 R325 | D229-T232 HydrophobicContact CB-CG2 4.44Å; D229-T232 WeakPolarHBondContact CB-OG1 3.13Å; D229-T232 PolarHBondContact O-N 3.22Å; D229-T232 PolarHBondContact O-OG1 3.45Å; K230-T232 VanDerWaalsContact C-N 3.33Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 WeakPolarHBondContact OG1-CB 3.22Å; T232-T234 PolarHBondContact OG1-N 3.04Å; T232-R325 PolarHBondContact O-NH2 3.17Å |
| 233 | D | 97.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -96.6 | 13.5 | 167.4 | -63.3 | -46.9 | 0 | 0 | 0 | 112.6 | N317 K320 R325 | D233-N317 PolarHBondContact OD1-ND2 2.65Å; D233-N317 PolarHBondContact OD1-OD1 2.88Å; D233-K320 VanDerWaalsContact CG-NZ 3.27Å; D233-K320 WeakPolarHBondContact OD1-CE 3.28Å; D233-K320 IonicContact OD1-NZ 3.89Å; D233-K320 PolarHBondContact OD1-NZ 3.02Å; D233-K320 IonicContact OD2-NZ 3.97Å; D233-K320 PolarHBondContact OD2-NZ 2.85Å; D233-R325 IonicContact OD1-NH2 2.86Å; D233-R325 PolarHBondContact OD1-NH2 3.11Å; D233-R325 VanDerWaalsContact OD1-NH2 3.11Å |
| 234 | T | 98 | Very high | 97.3 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | trans | -88.1 | 128.8 | 179.9 | -59.1 | 0 | 0 | 0 | 0 | 109.4 | F228 D229 T232 | F228-T234 CarbonylContact C-O 3.28Å; F228-T234 WeakPolarHBondContact CA-O 3.05Å; D229-T234 PolarHBondContact N-O 3.45Å; T232-T234 VanDerWaalsContact C-N 3.35Å; T232-T234 WeakPolarHBondContact OG1-CB 3.22Å; T232-T234 PolarHBondContact OG1-N 3.04Å | ||
| 235 | Y | 98.5 | Very high | 97.3 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 150.3 | 171.7 | -69.1 | -66.4 | 0 | 0 | 0 | 111.3 | E185 V188 P224 K227 F228 S237 P244 | E185-Y235 HydrophobicContact CG-CD2 4.01Å; V188-Y235 HydrophobicContact CG1-CE2 4.01Å; P224-Y235 HydrophobicContact CB-CE1 4.32Å; P224-Y235 PolarHBondContact O-OH 3.19Å; K227-Y235 CarbonylContact O-C 3.6Å; K227-Y235 WeakPolarHBondContact O-CA 3.25Å; F228-Y235 HydrophobicContact CD1-CD1 4.02Å; F228-Y235 HydrophobicContact CD1-CE1 4.15Å; F228-Y235 AromaticContact CE1-CD1 3.77Å; F228-Y235 HydrophobicContact CE1-CD1 3.77Å; F228-Y235 AromaticContact CE1-CE1 3.45Å; F228-Y235 HydrophobicContact CE1-CE1 3.45Å; F228-Y235 VanDerWaalsContact CE1-CE1 3.45Å; F228-Y235 HydrophobicContact CE1-CG 4.45Å; F228-Y235 AromaticContact CE1-CZ 3.88Å; F228-Y235 HydrophobicContact CE2-CD1 4.38Å; F228-Y235 AromaticContact CE2-CE1 3.84Å; F228-Y235 HydrophobicContact CE2-CE1 3.84Å; F228-Y235 HydrophobicContact CG-CD1 4.46Å; F228-Y235 AromaticContact CZ-CD1 3.97Å; F228-Y235 HydrophobicContact CZ-CD1 3.97Å; F228-Y235 AromaticContact CZ-CE1 3.27Å; F228-Y235 HydrophobicContact CZ-CE1 3.27Å; F228-Y235 AromaticContact CZ-CZ 3.8Å; Y235-S237 PolarHBondContact O-N 3.33Å; Y235-S237 VanDerWaalsContact O-N 3.13Å; Y235-P244 HydrophobicContact CD1-CB 3.81Å; Y235-P244 HydrophobicContact CD1-CG 3.63Å; Y235-P244 HydrophobicContact CD2-CB 4.48Å; Y235-P244 HydrophobicContact CD2-CG 3.83Å; Y235-P244 HydrophobicContact CE1-CB 3.68Å; Y235-P244 HydrophobicContact CE1-CG 3.97Å; Y235-P244 HydrophobicContact CE2-CB 4.38Å; Y235-P244 HydrophobicContact CE2-CG 4.17Å; Y235-P244 HydrophobicContact CG-CB 4.21Å; Y235-P244 HydrophobicContact CG-CG 3.55Å |
| 236 | D | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.011 | 29% | 0.293 | C | S | . | . | trans | -28.2 | 105.6 | -171 | -175 | 22.4 | 0 | 0 | 0 | 114.9 | K181 K227 D229 S238 Q241 R242 | K181-D236 WeakPolarHBondContact CE-O 3.21Å; K181-D236 PolarHBondContact NZ-O 3.25Å; K227-D236 HydrophobicContact CB-CB 4.15Å; K227-D236 HydrophobicContact CD-CB 4.19Å; K227-D236 HydrophobicContact CG-CB 4.35Å; K227-D236 PolarHBondContact O-N 3.05Å; D229-D236 WeakPolarHBondContact OD1-CA 3.41Å; D236-S238 VanDerWaalsContact C-N 3.35Å; D236-S238 VanDerWaalsContact CG-OG 3.27Å; D236-S238 WeakPolarHBondContact OD1-CA 3.47Å; D236-S238 WeakPolarHBondContact OD1-CB 3.28Å; D236-S238 PolarHBondContact OD1-N 3.15Å; D236-S238 PolarHBondContact OD1-OG 2.92Å; D236-S238 PolarHBondContact OD2-OG 2.95Å; D236-Q241 PolarHBondContact O-NE2 3.04Å; D236-Q241 PolarHBondContact OD2-N 3.18Å; D236-R242 HydrophobicContact CB-CB 4.15Å; D236-R242 WeakPolarHBondContact OD2-CB 3.46Å; D236-R242 VanDerWaalsContact OD2-CG 3.26Å; D236-R242 WeakPolarHBondContact OD2-CG 3.28Å; D236-R242 PolarHBondContact OD2-N 3.38Å | ||
| 237 | S | 97 | Very high | 97.3 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | trans | -90.5 | -1 | 173 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | D229 Y235 Q241 | D229-S237 VanDerWaalsContact CG-OG 3.25Å; D229-S237 PolarHBondContact OD1-N 2.78Å; D229-S237 PolarHBondContact OD1-OG 2.87Å; D229-S237 WeakPolarHBondContact OD2-CB 3.37Å; D229-S237 PolarHBondContact OD2-N 3.11Å; D229-S237 PolarHBondContact OD2-OG 3.37Å; Y235-S237 PolarHBondContact O-N 3.33Å; Y235-S237 VanDerWaalsContact O-N 3.13Å; S237-Q241 VanDerWaalsContact C-NE2 3.27Å; S237-Q241 PolarHBondContact O-NE2 2.96Å | ||
| 238 | S | 96.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -65 | 168.2 | 179.2 | 82.6 | 0 | 0 | 0 | 0 | 112.4 | D236 K240 Q241 | D236-S238 VanDerWaalsContact C-N 3.35Å; D236-S238 VanDerWaalsContact CG-OG 3.27Å; D236-S238 WeakPolarHBondContact OD1-CA 3.47Å; D236-S238 WeakPolarHBondContact OD1-CB 3.28Å; D236-S238 PolarHBondContact OD1-N 3.15Å; D236-S238 PolarHBondContact OD1-OG 2.92Å; D236-S238 PolarHBondContact OD2-OG 2.95Å; S238-K240 PolarHBondContact O-N 3.34Å; S238-K240 PolarHBondContact OG-N 3.48Å; S238-Q241 WeakPolarHBondContact O-CG 3.17Å; S238-Q241 PolarHBondContact O-N 3.27Å; S238-Q241 VanDerWaalsContact O-N 3.07Å; S238-Q241 PolarHBondContact O-NE2 2.91Å |
| 239 | K | 95 | Very high | 97.3 | Very high | 220 Ų | 220 | 52.8 Ų | 52.8 | 96% | 0.957 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.6 | 175.5 | -64.6 | -176.6 | 179.8 | -179.6 | 0 | 113.8 | ||
| 240 | K | 93.8 | Very high | 97.4 | Very high | 156 Ų | 156 | 51.1 Ų | 51.1 | 68% | 0.678 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -22.2 | -179.3 | -65.1 | -178.3 | -178.7 | 176.1 | 0 | 112.6 | S238 R242 | S238-K240 PolarHBondContact O-N 3.34Å; S238-K240 PolarHBondContact OG-N 3.48Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 HydrophobicContact CB-CG 4.43Å; K240-R242 PolarHBondContact O-N 2.86Å |
| 241 | Q | 94.6 | Very high | 97.5 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | trans | 42.7 | 53.5 | 178.8 | -67.6 | -65.9 | -61.4 | 0 | 0 | 112.4 | K181 D236 S237 S238 V243 | K181-Q241 HydrophobicContact CD-CB 4.02Å; K181-Q241 VanDerWaalsContact NZ-OE1 3.16Å; D236-Q241 PolarHBondContact O-NE2 3.04Å; D236-Q241 PolarHBondContact OD2-N 3.18Å; S237-Q241 VanDerWaalsContact C-NE2 3.27Å; S237-Q241 PolarHBondContact O-NE2 2.96Å; S238-Q241 WeakPolarHBondContact O-CG 3.17Å; S238-Q241 PolarHBondContact O-N 3.27Å; S238-Q241 VanDerWaalsContact O-N 3.07Å; S238-Q241 PolarHBondContact O-NE2 2.91Å; Q241-V243 PolarHBondContact O-N 2.8Å | ||
| 242 | R | 96.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -57.3 | 130.2 | 179.9 | -65.7 | -59.3 | -163.3 | 173.8 | 8.3 | 109.6 | H132 F226 K227 D236 K240 | H132-R242 PolarHBondContact CE1-NH2 2.82Å; F226-R242 HydrophobicContact CE1-CB 4.18Å; F226-R242 HydrophobicContact CE1-CG 4.28Å; F226-R242 HydrophobicContact CZ-CG 4.42Å; K227-R242 HydrophobicContact CB-CB 4.12Å; K227-R242 HydrophobicContact CD-CB 4.24Å; K227-R242 HydrophobicContact CD-CG 3.85Å; D236-R242 HydrophobicContact CB-CB 4.15Å; D236-R242 WeakPolarHBondContact OD2-CB 3.46Å; D236-R242 VanDerWaalsContact OD2-CG 3.26Å; D236-R242 WeakPolarHBondContact OD2-CG 3.28Å; D236-R242 PolarHBondContact OD2-N 3.38Å; K240-R242 VanDerWaalsContact C-N 3.29Å; K240-R242 HydrophobicContact CB-CG 4.43Å; K240-R242 PolarHBondContact O-N 2.86Å |
| 243 | V | 98.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 131.4 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I176 K181 V184 Q241 | I176-V243 HydrophobicContact CB-CG1 4.49Å; K181-V243 HydrophobicContact CB-CG2 4.27Å; V184-V243 HydrophobicContact CB-CG1 4.05Å; V184-V243 HydrophobicContact CG1-CG1 4.35Å; V184-V243 HydrophobicContact CG2-CG1 3.55Å; Q241-V243 PolarHBondContact O-N 2.8Å |
| 244 | P | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -58 | 137.5 | 176.5 | -25.8 | 34.1 | 0 | 0 | 0 | 112.5 | I176 V184 E185 P224 F226 Y235 | I176-P244 WeakPolarHBondContact CG1-O 3.19Å; V184-P244 HydrophobicContact CG1-CB 3.82Å; V184-P244 HydrophobicContact CG1-CG 4.05Å; E185-P244 HydrophobicContact CG-CG 4.16Å; P224-P244 HydrophobicContact CB-CB 3.76Å; P224-P244 HydrophobicContact CG-CB 4.01Å; F226-P244 CarbonylContact O-C 3.54Å; F226-P244 WeakPolarHBondContact O-CA 3.48Å; Y235-P244 HydrophobicContact CD1-CB 3.81Å; Y235-P244 HydrophobicContact CD1-CG 3.63Å; Y235-P244 HydrophobicContact CD2-CB 4.48Å; Y235-P244 HydrophobicContact CD2-CG 3.83Å; Y235-P244 HydrophobicContact CE1-CB 3.68Å; Y235-P244 HydrophobicContact CE1-CG 3.97Å; Y235-P244 HydrophobicContact CE2-CB 4.38Å; Y235-P244 HydrophobicContact CE2-CG 4.17Å; Y235-P244 HydrophobicContact CG-CB 4.21Å; Y235-P244 HydrophobicContact CG-CG 3.55Å |
| 245 | A | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -148.5 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | I176 T225 F226 T247 | I176-A245 HydrophobicContact CG1-CB 4.17Å; T225-A245 PolarHBondContact N-O 2.84Å; T225-A245 VanDerWaalsContact N-O 3.07Å; F226-A245 PolarHBondContact N-O 2.92Å; F226-A245 PolarHBondContact O-N 2.83Å; A245-T247 HydrophobicContact CB-CG2 4.22Å; A245-T247 PolarHBondContact O-N 2.8Å |
| 246 | W | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -85.8 | 82.3 | 169.6 | -64.6 | -84.8 | 0 | 0 | 0 | 109.8 | I176 F193 L196 L197 I220 F222 P223 P224 R249 | I176-W246 HydrophobicContact CD1-CE3 3.94Å; I176-W246 HydrophobicContact CD1-CZ3 3.88Å; F193-W246 HydrophobicContact CB-CH2 4.42Å; F193-W246 HydrophobicContact CB-CZ2 4.31Å; F193-W246 HydrophobicContact CD1-CH2 4.28Å; F193-W246 AromaticContact CD1-CZ2 3.89Å; F193-W246 HydrophobicContact CD1-CZ2 3.89Å; F193-W246 HydrophobicContact CG-CZ2 4.28Å; L196-W246 HydrophobicContact CB-CH2 4.13Å; L196-W246 HydrophobicContact CB-CZ3 4.43Å; L196-W246 HydrophobicContact CD2-CH2 3.57Å; L196-W246 HydrophobicContact CD2-CZ3 3.93Å; L196-W246 HydrophobicContact CG-CH2 3.78Å; L196-W246 HydrophobicContact CG-CZ3 3.8Å; L197-W246 HydrophobicContact CD2-CD2 4.23Å; L197-W246 HydrophobicContact CD2-CE3 3.67Å; L197-W246 HydrophobicContact CD2-CH2 4.03Å; L197-W246 HydrophobicContact CD2-CZ3 3.55Å; L197-W246 HydrophobicContact CG-CE3 4.45Å; L197-W246 HydrophobicContact CG-CH2 3.94Å; L197-W246 HydrophobicContact CG-CZ3 3.85Å; I220-W246 HydrophobicContact CD1-CG 4.45Å; I220-W246 HydrophobicContact CG2-CD2 4.23Å; I220-W246 HydrophobicContact CG2-CG 4.32Å; I220-W246 HydrophobicContact CG2-CZ2 4.05Å; I220-W246 VanDerWaalsContact CG2-NE1 3.32Å; F222-W246 AromaticContact CD2-CD1 3.99Å; F222-W246 AromaticContact CD2-NE1 3.92Å; F222-W246 AromaticContact CE2-CD1 3.65Å; F222-W246 PolarHBondContact O-NE1 3.08Å; P223-W246 PolarHBondContact O-NE1 2.96Å; P224-W246 HydrophobicContact CG-CD2 4.22Å; P224-W246 HydrophobicContact CG-CE3 4.47Å; P224-W246 HydrophobicContact CG-CH2 4.25Å; P224-W246 HydrophobicContact CG-CZ2 3.96Å; P224-W246 HydrophobicContact CG-CZ3 4.48Å; W246-R249 WeakPolarHBondContact O-CD 3.3Å; W246-R249 PolarHBondContact O-NH1 3.03Å | ||
| 247 | T | 98.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -81.4 | -35.8 | -179.2 | 50 | 0 | 0 | 0 | 0 | 112.2 | D171 L172 N173 T225 F226 A245 H324 | D171-T247 WeakPolarHBondContact OD1-CB 3.24Å; L172-T247 PolarHBondContact N-O 3.43Å; N173-T247 PolarHBondContact N-O 2.9Å; T225-T247 PolarHBondContact OG1-N 3.23Å; T225-T247 PolarHBondContact OG1-OG1 3.38Å; F226-T247 HydrophobicContact CB-CG2 3.84Å; F226-T247 WeakPolarHBondContact CB-OG1 2.98Å; F226-T247 HydrophobicContact CD1-CG2 4.05Å; F226-T247 HydrophobicContact CG-CG2 4.07Å; A245-T247 HydrophobicContact CB-CG2 4.22Å; A245-T247 PolarHBondContact O-N 2.8Å; T247-H324 PolarHBondContact OG1-CE1 3.15Å; T247-H324 PolarHBondContact OG1-ND1 3.3Å | ||
| 248 | D | 98.9 | Very high | 88 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.1 | -178.1 | -54.7 | -103.6 | 0 | 0 | 0 | 109.1 | T10 N12 G170 T225 H324 V327 | T10-D248 HydrophobicContact CG2-CB 4.27Å; N12-D248 PolarHBondContact N-OD1 3.45Å; G170-D248 WeakPolarHBondContact O-CA 3.48Å; T225-D248 HydrophobicContact CG2-CB 4.47Å; T225-D248 PolarHBondContact OG1-N 3.23Å; T225-D248 PolarHBondContact OG1-OD2 3.41Å; D248-H324 IonicContact OD1-ND1 3.94Å; D248-H324 IonicContact OD2-CE1 2.74Å; D248-H324 IonicContact OD2-CG 3.35Å; D248-H324 IonicContact OD2-ND1 2.9Å; D248-H324 PolarHBondContact OD2-ND1 2.69Å; D248-V327 HydrophobicContact CB-CB 4.47Å; D248-V327 HydrophobicContact CB-CG2 3.82Å |
| 249 | R | 98.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.8 | -171.1 | -52 | -66.1 | -84.9 | -94.2 | 0 | 111.2 | M169 G170 L172 D200 L202 E217 W246 L251 | M169-R249 WeakPolarHBondContact CA-O 3.16Å; G170-R249 PolarHBondContact N-O 3.38Å; G170-R249 PolarHBondContact O-N 2.7Å; L172-R249 HydrophobicContact CB-CG 4.47Å; L172-R249 HydrophobicContact CD1-CB 3.78Å; L172-R249 HydrophobicContact CD1-CG 4.24Å; L172-R249 HydrophobicContact CG-CB 4.15Å; L172-R249 HydrophobicContact CG-CG 4.44Å; D200-R249 IonicContact OD1-NH1 2.67Å; D200-R249 PolarHBondContact OD1-NH1 3Å; D200-R249 VanDerWaalsContact OD1-NH1 3.07Å; D200-R249 IonicContact OD2-CZ 3.32Å; D200-R249 IonicContact OD2-NH1 3.65Å; D200-R249 PolarHBondContact OD2-NH1 3.15Å; D200-R249 IonicContact OD2-NH2 3.34Å; D200-R249 PolarHBondContact OD2-NH2 2.92Å; D200-R249 VanDerWaalsContact OD2-NH2 3.13Å; L202-R249 HydrophobicContact CD2-CB 4.36Å; L202-R249 HydrophobicContact CD2-CG 3.96Å; E217-R249 IonicContact OE1-CZ 3.48Å; E217-R249 IonicContact OE1-NE 3.53Å; E217-R249 PolarHBondContact OE1-NE 2.88Å; E217-R249 IonicContact OE1-NH2 3.65Å; E217-R249 PolarHBondContact OE1-NH2 3.34Å; E217-R249 IonicContact OE2-CZ 3.99Å; E217-R249 IonicContact OE2-NE 2.99Å; E217-R249 PolarHBondContact OE2-NE 3.38Å; E217-R249 IonicContact OE2-NH2 3.79Å; E217-R249 PolarHBondContact OE2-NH2 2.82Å; W246-R249 WeakPolarHBondContact O-CD 3.3Å; W246-R249 PolarHBondContact O-NH1 3.03Å; R249-L251 HydrophobicContact CB-CD1 4.01Å |
| 250 | I | 98.9 | Very high | 82.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 111.5 | 169.4 | -55.9 | 176.1 | 0 | 0 | 0 | 108.7 | C8 T10 W168 M169 Y313 V327 A329 F331 | C8-I250 HydrophobicContact CB-CD1 4.06Å; C8-I250 HydrophobicContact CB-CG2 4.17Å; T10-I250 HydrophobicContact CG2-CD1 4.3Å; T10-I250 HydrophobicContact CG2-CG1 3.9Å; W168-I250 CarbonylContact O-C 3.12Å; W168-I250 WeakPolarHBondContact O-CA 3.3Å; M169-I250 HydrophobicContact CB-CG1 4.32Å; M169-I250 HydrophobicContact CG-CB 4.4Å; M169-I250 HydrophobicContact CG-CD1 4.46Å; M169-I250 HydrophobicContact CG-CG1 3.98Å; M169-I250 HydrophobicContact CG-CG2 3.9Å; I250-Y313 HydrophobicContact CB-CE2 3.9Å; I250-Y313 HydrophobicContact CG1-CE2 4.41Å; I250-Y313 PolarHBondContact N-OH 2.84Å; I250-V327 HydrophobicContact CD1-CG1 4.07Å; I250-V327 HydrophobicContact CG1-CG1 4.12Å; I250-A329 HydrophobicContact CB-CB 4.05Å; I250-A329 HydrophobicContact CD1-CB 3.8Å; I250-A329 HydrophobicContact CG2-CB 3.74Å; I250-F331 HydrophobicContact CG2-CE2 4.47Å; I250-F331 HydrophobicContact CG2-CZ 4.42Å |
| 251 | L | 98.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 155.2 | 173.3 | -57.9 | 94.8 | 0 | 0 | 0 | 109.9 | W168 L172 L202 F212 F215 N216 E217 R249 | W168-L251 HydrophobicContact CB-CB 4.42Å; W168-L251 PolarHBondContact N-O 2.9Å; W168-L251 PolarHBondContact O-N 3.31Å; L172-L251 HydrophobicContact CD1-CD1 3.47Å; L172-L251 VanDerWaalsContact CD1-CD1 3.47Å; L202-L251 HydrophobicContact CD2-CD1 4.19Å; L202-L251 HydrophobicContact CD2-CD2 4.37Å; F212-L251 HydrophobicContact CB-CD2 3.98Å; F212-L251 HydrophobicContact CD1-CD2 4.25Å; F212-L251 HydrophobicContact CD2-CD2 4.12Å; F212-L251 HydrophobicContact CG-CD2 3.88Å; F215-L251 HydrophobicContact CB-CB 4.13Å; F215-L251 HydrophobicContact CB-CD2 4.25Å; F215-L251 HydrophobicContact CD1-CB 4.05Å; N216-L251 CarbonylContact O-C 3.58Å; N216-L251 VanDerWaalsContact O-CA 3.27Å; N216-L251 WeakPolarHBondContact O-CA 3.49Å; E217-L251 HydrophobicContact CB-CG 4.4Å; R249-L251 HydrophobicContact CB-CD1 4.01Å |
| 252 | Y | 96.3 | Very high | 76.6 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 13% | 0.125 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.3 | 179.7 | 67.2 | -79.2 | 0 | 0 | 0 | 112.3 | V166 F215 N216 V254 L310 F331 | V166-Y252 CarbonylContact O-C 3.56Å; V166-Y252 WeakPolarHBondContact O-CA 3.22Å; F215-Y252 CarbonylContact C-O 3.52Å; F215-Y252 WeakPolarHBondContact CA-O 3.47Å; N216-Y252 HydrophobicContact CB-CD1 4.13Å; N216-Y252 HydrophobicContact CB-CD2 4.34Å; N216-Y252 HydrophobicContact CB-CE1 3.63Å; N216-Y252 HydrophobicContact CB-CE2 3.85Å; N216-Y252 HydrophobicContact CB-CG 4.47Å; N216-Y252 VanDerWaalsContact CB-CZ 3.47Å; N216-Y252 PolarHBondContact N-O 3.35Å; N216-Y252 VanDerWaalsContact O-CD1 3.25Å; N216-Y252 WeakPolarHBondContact O-CD1 3.41Å; N216-Y252 PolarHBondContact O-N 2.99Å; Y252-V254 HydrophobicContact CD2-CG2 4.2Å; Y252-V254 HydrophobicContact CE2-CG2 4.45Å; Y252-L310 HydrophobicContact CE1-CD2 4.49Å; Y252-F331 AromaticContact CD1-CE1 3.41Å; Y252-F331 HydrophobicContact CD1-CE1 3.41Å; Y252-F331 VanDerWaalsContact CD1-CE1 3.41Å; Y252-F331 AromaticContact CD1-CZ 3.76Å; Y252-F331 HydrophobicContact CD1-CZ 3.76Å; Y252-F331 HydrophobicContact CD2-CD1 4.43Å; Y252-F331 AromaticContact CD2-CE1 3.89Å; Y252-F331 HydrophobicContact CD2-CE1 3.89Å; Y252-F331 AromaticContact CE1-CE1 3.78Å; Y252-F331 HydrophobicContact CE1-CE1 3.78Å; Y252-F331 HydrophobicContact CE1-CZ 4.44Å; Y252-F331 HydrophobicContact CE2-CE1 4.23Å; Y252-F331 HydrophobicContact CG-CD1 4.37Å; Y252-F331 AromaticContact CG-CE1 3.46Å; Y252-F331 HydrophobicContact CG-CE1 3.46Å; Y252-F331 VanDerWaalsContact CG-CE1 3.46Å; Y252-F331 AromaticContact CG-CZ 3.91Å; Y252-F331 HydrophobicContact CG-CZ 3.91Å |
| 253 | M | 88.7 | Confident | 73.7 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.069 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 136 | 171.3 | -174.9 | -178.2 | 75 | 0 | 0 | 108.7 | I161 V166 D214 F215 | I161-M253 HydrophobicContact CB-CE 4.03Å; I161-M253 HydrophobicContact CG2-CE 4.2Å; V166-M253 HydrophobicContact CB-CB 4.15Å; V166-M253 HydrophobicContact CB-CE 4.4Å; V166-M253 HydrophobicContact CG2-CE 3.66Å; V166-M253 PolarHBondContact N-O 2.86Å; V166-M253 PolarHBondContact O-N 2.98Å; D214-M253 HydrophobicContact CB-CG 4.24Å; D214-M253 HydrophobicContact CB-SD 3.67Å; D214-M253 WeakPolarHBondContact O-CG 3.28Å; F215-M253 HydrophobicContact CD1-CB 3.92Å; F215-M253 HydrophobicContact CD2-CB 4.33Å; F215-M253 HydrophobicContact CE1-CB 3.97Å; F215-M253 HydrophobicContact CE2-CB 4.38Å; F215-M253 HydrophobicContact CE2-SD 4.32Å; F215-M253 HydrophobicContact CG-CB 4.12Å; F215-M253 HydrophobicContact CZ-CB 4.2Å |
| 254 | V | 84.5 | Confident | 70.8 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.2 | 171 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | Y165 Y252 R256 P306 A308 | Y165-V254 HydrophobicContact CD1-CB 4.48Å; Y165-V254 HydrophobicContact CD1-CG1 4.09Å; Y165-V254 HydrophobicContact CD1-CG2 4.08Å; Y165-V254 HydrophobicContact CE1-CG1 3.75Å; Y165-V254 HydrophobicContact CE1-CG2 4.22Å; Y252-V254 HydrophobicContact CD2-CG2 4.2Å; Y252-V254 HydrophobicContact CE2-CG2 4.45Å; V254-R256 PolarHBondContact O-N 3.5Å; V254-R256 VanDerWaalsContact O-N 3.11Å; V254-P306 HydrophobicContact CG1-CB 3.99Å; V254-P306 WeakPolarHBondContact CG1-O 3.43Å; V254-A308 HydrophobicContact CG2-CB 3.36Å |
| 255 | H | 70.7 | Confident | 67.9 | Low | 26 Ų | 26 | 45.4 Ų | 45.4 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | trans | -69.8 | 109.2 | 177.3 | -156.8 | -36.1 | 0 | 0 | 0 | 109.6 | I161 D164 D257 F258 A259 | I161-H255 PolarHBondContact O-CD2 3.43Å; D164-H255 PolarHBondContact O-N 2.86Å; H255-D257 PolarHBondContact CE1-O 3.14Å; H255-D257 PolarHBondContact ND1-O 2.91Å; H255-F258 WeakPolarHBondContact CE1-CA 3.34Å; H255-F258 PolarHBondContact CE1-N 3.04Å; H255-F258 VanDerWaalsContact CE1-N 3.28Å; H255-F258 PolarHBondContact ND1-N 3.15Å; H255-A259 WeakPolarHBondContact CE1-CA 3.47Å; H255-A259 PolarHBondContact CE1-N 2.61Å; H255-A259 WeakPolarHBondContact NE2-CA 3.3Å; H255-A259 WeakPolarHBondContact NE2-CB 3.35Å; H255-A259 PolarHBondContact NE2-N 3.23Å | ||
| 256 | R | 55.1 | Low | 65.1 | Low | 159 Ų | 159 | 48.2 Ų | 48.2 | 60% | 0.6 | 24% | 0.237 | S | C | * | . | trans | -90.9 | -30.5 | -176.3 | -72.8 | -164.2 | 176.6 | -160.9 | -1.9 | 115.2 | V254 H305 | V254-R256 PolarHBondContact O-N 3.5Å; V254-R256 VanDerWaalsContact O-N 3.11Å; R256-H305 PolarHBondContact O-ND1 3.09Å | ||
| 257 | D | 46 | Very low | 62.3 | Low | 96 Ų | 96 | 51.9 Ų | 51.9 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -155.3 | 118 | 170.4 | -78.9 | -50 | 0 | 0 | 0 | 106.7 | H255 H305 | H255-D257 PolarHBondContact CE1-O 3.14Å; H255-D257 PolarHBondContact ND1-O 2.91Å; D257-H305 IonicContact OD1-CE1 3.89Å; D257-H305 PolarHBondContact OD1-CE1 3.01Å; D257-H305 IonicContact OD1-ND1 3.5Å |
| 258 | F | 42.1 | Very low | 60 | Low | 82 Ų | 82 | 59.4 Ų | 59.4 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | trans | 4.3 | 114.6 | 165.9 | -57.9 | -71.8 | 0 | 0 | 0 | 116.9 | H255 L260 P282 S286 | H255-F258 WeakPolarHBondContact CE1-CA 3.34Å; H255-F258 PolarHBondContact CE1-N 3.04Å; H255-F258 VanDerWaalsContact CE1-N 3.28Å; H255-F258 PolarHBondContact ND1-N 3.15Å; F258-L260 PolarHBondContact O-N 2.85Å; F258-P282 HydrophobicContact CD1-CG 4.05Å; F258-P282 HydrophobicContact CE1-CB 4Å; F258-P282 HydrophobicContact CE1-CG 3.31Å; F258-P282 HydrophobicContact CZ-CG 3.66Å; F258-S286 WeakPolarHBondContact CE2-OG 3.16Å; F258-S286 WeakPolarHBondContact CZ-OG 3.37Å | ||
| 259 | A | 36.3 | Very low | 57.6 | Low | 17 Ų | 17 | 65.6 Ų | 65.6 | 14% | 0.14 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -47.5 | 27.1 | -159.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | H255 D261 | H255-A259 WeakPolarHBondContact CE1-CA 3.47Å; H255-A259 PolarHBondContact CE1-N 2.61Å; H255-A259 WeakPolarHBondContact NE2-CA 3.3Å; H255-A259 WeakPolarHBondContact NE2-CB 3.35Å; H255-A259 PolarHBondContact NE2-N 3.23Å; A259-D261 PolarHBondContact O-N 3.25Å |
| 260 | L | 30.9 | Very low | 55 | Low | 111 Ų | 111 | 70.5 Ų | 70.5 | 58% | 0.581 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -32.3 | -173.5 | -149.1 | 77.1 | 0 | 0 | 0 | 112 | F258 L264 | F258-L260 PolarHBondContact O-N 2.85Å; L260-L264 HydrophobicContact CD2-CD1 4.27Å; L260-L264 HydrophobicContact CG-CD1 4.01Å; L260-L264 WeakPolarHBondContact O-CD1 3.27Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.46Å |
| 261 | D | 34 | Very low | 52.4 | Low | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -83.1 | -25.4 | -167.5 | -72.4 | -17.6 | 0 | 0 | 0 | 115.1 | A259 L264 N265 | A259-D261 PolarHBondContact O-N 3.25Å; D261-L264 PolarHBondContact O-N 3.4Å; D261-N265 WeakPolarHBondContact O-CB 3.46Å; D261-N265 VanDerWaalsContact O-CG 3.25Å; D261-N265 PolarHBondContact O-N 3.18Å; D261-N265 PolarHBondContact O-ND2 3.16Å |
| 262 | H | 38.3 | Very low | 50 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.5 | -43.6 | -179.2 | -171.9 | -100.9 | 0 | 0 | 0 | 112.1 | I161 D214 L264 N265 | I161-H262 HydrophobicContact CD1-CB 4.16Å; D214-H262 IonicContact OD2-CD2 2.73Å; D214-H262 PolarHBondContact OD2-CD2 3.05Å; D214-H262 IonicContact OD2-CG 3.91Å; H262-L264 PolarHBondContact O-N 3.37Å; H262-N265 PolarHBondContact O-N 3.43Å |
| 263 | H | 36.2 | Very low | 47.4 | Very low | 50 Ų | 50 | 87.4 Ų | 87.4 | 23% | 0.231 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.4 | -21.9 | 178.5 | -103.8 | 86.5 | 0 | 0 | 0 | 113.1 | R271 | H263-R271 PolarHBondContact O-NE 2.89Å |
| 264 | L | 37.6 | Very low | 45.3 | Very low | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -83.6 | -25.4 | 177.8 | -69 | 173.3 | 0 | 0 | 0 | 113.1 | L260 D261 H262 R271 | L260-L264 HydrophobicContact CD2-CD1 4.27Å; L260-L264 HydrophobicContact CG-CD1 4.01Å; L260-L264 WeakPolarHBondContact O-CD1 3.27Å; L260-L264 VanDerWaalsContact O-CG 3.28Å; L260-L264 WeakPolarHBondContact O-CG 3.46Å; D261-L264 PolarHBondContact O-N 3.4Å; H262-L264 PolarHBondContact O-N 3.37Å; L264-R271 PolarHBondContact O-NH2 3.46Å |
| 265 | N | 37 | Very low | 43.2 | Very low | 117 Ų | 117 | 96.8 Ų | 96.8 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -89.2 | -6.7 | -175.7 | -71.6 | -31.6 | 0 | 0 | 0 | 115.1 | D261 H262 | D261-N265 WeakPolarHBondContact O-CB 3.46Å; D261-N265 VanDerWaalsContact O-CG 3.25Å; D261-N265 PolarHBondContact O-N 3.18Å; D261-N265 PolarHBondContact O-ND2 3.16Å; H262-N265 PolarHBondContact O-N 3.43Å |
| 266 | L | 40.9 | Very low | 41.9 | Very low | 60 Ų | 60 | 99.2 Ų | 99.2 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -68.9 | 136.5 | 167.2 | -70.3 | 170.5 | 0 | 0 | 0 | 109.7 | E268 R271 | L266-E268 PolarHBondContact O-N 3.18Å; L266-R271 HydrophobicContact CB-CG 4.06Å; L266-R271 PolarHBondContact O-NE 3.12Å; L266-R271 VanDerWaalsContact O-NE 3.14Å |
| 267 | P | 41 | Very low | 41.2 | Very low | 77 Ų | 77 | 97.8 Ų | 97.8 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | trans | -49.4 | 135.2 | 169.1 | -23 | 31.4 | 0 | 0 | 0 | 109.5 | T269 N270 R271 | P267-T269 PolarHBondContact O-N 2.87Å; P267-N270 PolarHBondContact O-N 2.79Å; P267-R271 PolarHBondContact O-N 3.42Å | ||
| 268 | E | 49.7 | Very low | 40.9 | Very low | 157 Ų | 157 | 96.8 Ų | 96.8 | 73% | 0.734 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -51.2 | -32.6 | -175.3 | -86.9 | -179.4 | 160 | 0 | 0 | 113.3 | L266 N270 R271 | L266-E268 PolarHBondContact O-N 3.18Å; E268-N270 PolarHBondContact O-N 3.28Å; E268-R271 PolarHBondContact O-N 3.49Å; E268-R271 IonicContact OE1-NH1 3.78Å |
| 269 | T | 48.7 | Very low | 40.8 | Very low | 131 Ų | 131 | 96.6 Ų | 96.6 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -66.2 | -21.4 | 177.6 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | P267 | P267-T269 PolarHBondContact O-N 2.87Š|
| 270 | N | 44.7 | Very low | 40.7 | Very low | 104 Ų | 104 | 102.9 Ų | 102.9 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -106.3 | 2.2 | -178.2 | -67.9 | 1.5 | 0 | 0 | 0 | 112.9 | P267 E268 Q272 | P267-N270 PolarHBondContact O-N 2.79Å; E268-N270 PolarHBondContact O-N 3.28Å; N270-Q272 PolarHBondContact O-N 3.13Å |
| 271 | R | 43.1 | Very low | 40.8 | Very low | 90 Ų | 90 | 104.3 Ų | 104.3 | 34% | 0.34 | 54% | 0.539 | S | S | . | . | trans | -76.1 | 91.8 | 175.9 | -66.7 | -177.3 | -167 | 160.2 | 0 | 109.5 | H263 L264 L266 P267 E268 R273 | H263-R271 PolarHBondContact O-NE 2.89Å; L264-R271 PolarHBondContact O-NH2 3.46Å; L266-R271 HydrophobicContact CB-CG 4.06Å; L266-R271 PolarHBondContact O-NE 3.12Å; L266-R271 VanDerWaalsContact O-NE 3.14Å; P267-R271 PolarHBondContact O-N 3.42Å; E268-R271 PolarHBondContact O-N 3.49Å; E268-R271 IonicContact OE1-NH1 3.78Å; R271-R273 PolarHBondContact O-N 2.9Å | ||
| 272 | Q | 49 | Very low | 40.8 | Very low | 169 Ų | 169 | 100.4 Ų | 100.4 | 79% | 0.79 | 52% | 0.52 | S | S | * | . | trans | -73.6 | -14 | 173.1 | -68.4 | -167.8 | 12.6 | 0 | 0 | 113.1 | N270 | N270-Q272 PolarHBondContact O-N 3.13Š| ||
| 273 | R | 41.3 | Very low | 40.7 | Very low | 129 Ų | 129 | 103.7 Ų | 103.7 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -127.7 | 138.5 | 174.1 | -81.2 | -178.6 | 173.9 | -175.1 | 0.4 | 111.4 | R271 | R271-R273 PolarHBondContact O-N 2.9Š|
| 274 | Q | 43.9 | Very low | 40.7 | Very low | 176 Ų | 176 | 105.8 Ų | 105.8 | 82% | 0.822 | 55% | 0.549 | S | S | * | . | trans | -66.6 | 142.6 | 160.6 | -70.5 | -176.4 | -5.6 | 0 | 0 | 108.5 | S276 | Q274-S276 PolarHBondContact O-N 3.35Å; Q274-S276 VanDerWaalsContact O-N 3.09Å | ||
| 275 | A | 41.7 | Very low | 40.4 | Very low | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | trans | -52.7 | 120.8 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | P277 | A275-P277 WeakPolarHBondContact O-CD 3.45Š| ||
| 276 | S | 42.8 | Very low | 40.4 | Very low | 76 Ų | 76 | 97.8 Ų | 97.8 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | trans | -54 | 113.9 | -176.9 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | Q274 S278 R279 | Q274-S276 PolarHBondContact O-N 3.35Å; Q274-S276 VanDerWaalsContact O-N 3.09Å; S276-S278 PolarHBondContact O-N 2.92Å; S276-S278 VanDerWaalsContact O-N 3.11Å; S276-R279 PolarHBondContact O-N 3.28Å | ||
| 277 | P | 41.1 | Very low | 40.3 | Very low | 130 Ų | 130 | 97.7 Ų | 97.7 | 84% | 0.844 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.7 | 171.8 | 26.4 | -32 | 0 | 0 | 0 | 110.7 | A275 R279 | A275-P277 WeakPolarHBondContact O-CD 3.45Å; P277-R279 VanDerWaalsContact C-N 3.32Å |
| 278 | S | 39.1 | Very low | 40.3 | Very low | 75 Ų | 75 | 94.9 Ų | 94.9 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 8.8 | 173.9 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | S276 R280 | S276-S278 PolarHBondContact O-N 2.92Å; S276-S278 VanDerWaalsContact O-N 3.11Å; S278-R280 PolarHBondContact O-N 2.91Å |
| 279 | R | 39.4 | Very low | 40 | Very low | 77 Ų | 77 | 90.6 Ų | 90.6 | 29% | 0.291 | 48% | 0.475 | S | S | . | . | trans | -68 | 78.9 | 162 | -157.1 | 174.8 | -145 | -98.8 | 3.6 | 106.2 | D162 S276 P277 L281 | D162-R279 IonicContact OD1-CZ 2.73Å; D162-R279 IonicContact OD1-NE 2.81Å; D162-R279 PolarHBondContact OD1-NE 3.1Å; D162-R279 IonicContact OD1-NH2 3.02Å; D162-R279 PolarHBondContact OD1-NH2 2.98Å; S276-R279 PolarHBondContact O-N 3.28Å; P277-R279 VanDerWaalsContact C-N 3.32Å; R279-L281 PolarHBondContact O-N 3.44Å | ||
| 280 | R | 34.5 | Very low | 39.8 | Very low | 149 Ų | 149 | 85.8 Ų | 85.8 | 56% | 0.562 | 45% | 0.445 | S | S | * | . | trans | -49.5 | 133.6 | 165.1 | -65.7 | -179.8 | -174.4 | 162 | 10.3 | 102.8 | E155 S278 P282 | E155-R280 IonicContact OE2-NH1 3.05Å; E155-R280 IonicContact OE2-NH2 2.63Å; S278-R280 PolarHBondContact O-N 2.91Å; R280-P282 VanDerWaalsContact O-N 3.08Å | ||
| 281 | L | 33.5 | Very low | 39.8 | Very low | 141 Ų | 141 | 81.4 Ų | 81.4 | 74% | 0.738 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -37.6 | 128 | 154.3 | -70 | 162.5 | 0 | 0 | 0 | 105.4 | R279 V283 | R279-L281 PolarHBondContact O-N 3.44Å; L281-V283 PolarHBondContact O-N 2.67Å; L281-V283 VanDerWaalsContact O-N 3.11Å |
| 282 | P | 34.5 | Very low | 40.1 | Very low | 31 Ų | 31 | 82.8 Ų | 82.8 | 20% | 0.201 | 43% | 0.432 | C | S | . | . | trans | -46.7 | 131 | -172 | 30.7 | -43.9 | 0 | 0 | 0 | 107.5 | F258 R280 R284 G285 | F258-P282 HydrophobicContact CD1-CG 4.05Å; F258-P282 HydrophobicContact CE1-CB 4Å; F258-P282 HydrophobicContact CE1-CG 3.31Å; F258-P282 HydrophobicContact CZ-CG 3.66Å; R280-P282 VanDerWaalsContact O-N 3.08Å; P282-R284 CarbonylContact C-O 3.58Å; P282-R284 WeakPolarHBondContact CB-O 3.3Å; P282-R284 WeakPolarHBondContact CG-O 3.49Å; P282-R284 CarbonylContact O-C 3.56Å; P282-R284 PolarHBondContact O-N 2.83Å; P282-G285 WeakPolarHBondContact O-CA 3.25Å; P282-G285 PolarHBondContact O-N 2.99Å | ||
| 283 | V | 35.9 | Very low | 40.2 | Very low | 106 Ų | 106 | 83.3 Ų | 83.3 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -60.1 | -36.9 | -168.7 | 174 | 0 | 0 | 0 | 0 | 110.3 | L281 G285 | L281-V283 PolarHBondContact O-N 2.67Å; L281-V283 VanDerWaalsContact O-N 3.11Å; V283-G285 PolarHBondContact O-N 3.01Å |
| 284 | R | 34.5 | Very low | 40.4 | Very low | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.355 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -77.8 | 104 | 150.6 | -66.9 | 177.4 | -169.5 | 167.8 | 4.6 | 104.3 | E116 P282 V290 F340 | E116-R284 IonicContact OE1-CZ 2.96Å; E116-R284 IonicContact OE1-NH1 3.9Å; E116-R284 PolarHBondContact OE1-NH1 2.86Å; P282-R284 CarbonylContact C-O 3.58Å; P282-R284 WeakPolarHBondContact CB-O 3.3Å; P282-R284 WeakPolarHBondContact CG-O 3.49Å; P282-R284 CarbonylContact O-C 3.56Å; P282-R284 PolarHBondContact O-N 2.83Å; R284-V290 HydrophobicContact CB-CG2 3.87Å; R284-F340 HydrophobicContact CG-CE2 4.04Å |
| 285 | G | 32.2 | Very low | 40.6 | Very low | 8 Ų | 8 | 75.9 Ų | 75.9 | 8% | 0.082 | 41% | 0.409 | C | S | . | . | trans | -39.7 | 160.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P282 V283 E289 V290 | P282-G285 WeakPolarHBondContact O-CA 3.25Å; P282-G285 PolarHBondContact O-N 2.99Å; V283-G285 PolarHBondContact O-N 3.01Å; G285-E289 VanDerWaalsContact CA-OE2 3.24Å; G285-E289 WeakPolarHBondContact CA-OE2 3.18Å; G285-V290 VanDerWaalsContact N-CG2 3.35Å; G285-V290 VanDerWaalsContact O-CG2 3.3Å; G285-V290 WeakPolarHBondContact O-CG2 3.38Å | ||
| 286 | S | 37 | Very low | 40.8 | Very low | 18 Ų | 18 | 75.9 Ų | 75.9 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | trans | -32.4 | 140.5 | 172 | -44.3 | 0 | 0 | 0 | 0 | 110.2 | F258 S288 E289 V290 | F258-S286 WeakPolarHBondContact CE2-OG 3.16Å; F258-S286 WeakPolarHBondContact CZ-OG 3.37Å; S286-S288 WeakPolarHBondContact CB-OG 3.48Å; S286-S288 CarbonylContact O-C 3.5Å; S286-S288 VanDerWaalsContact O-C 3.32Å; S286-S288 PolarHBondContact O-N 3.19Å; S286-E289 WeakPolarHBondContact O-CA 3.34Å; S286-E289 PolarHBondContact O-N 2.87Å; S286-V290 PolarHBondContact O-N 3.01Å | ||
| 287 | P | 39.8 | Very low | 40.8 | Very low | 59 Ų | 59 | 72.9 Ų | 72.9 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -40.4 | -38.3 | 176.2 | -32.6 | 35.4 | 0 | 0 | 0 | 112.2 | E291 P336 | P287-E291 WeakPolarHBondContact O-CB 3.32Å; P287-E291 VanDerWaalsContact O-CD 3.22Å; P287-E291 WeakPolarHBondContact O-CG 3.4Å; P287-E291 PolarHBondContact O-N 2.68Å; P287-P336 HydrophobicContact CB-CB 3.8Å; P287-P336 HydrophobicContact CB-CG 3.66Å; P287-P336 HydrophobicContact CG-CB 4.25Å; P287-P336 HydrophobicContact CG-CG 3.55Å |
| 288 | S | 40.9 | Very low | 41.3 | Very low | 17 Ų | 17 | 75.5 Ų | 75.5 | 12% | 0.119 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 167.4 | 64.9 | 0 | 0 | 0 | 0 | 117.4 | S286 E291 E292 | S286-S288 WeakPolarHBondContact CB-OG 3.48Å; S286-S288 CarbonylContact O-C 3.5Å; S286-S288 VanDerWaalsContact O-C 3.32Å; S286-S288 PolarHBondContact O-N 3.19Å; S288-E291 CarbonylContact O-C 3.52Å; S288-E291 PolarHBondContact O-N 3.39Å; S288-E292 VanDerWaalsContact O-CB 3.28Å; S288-E292 WeakPolarHBondContact O-CB 3.22Å; S288-E292 WeakPolarHBondContact O-CG 3.08Å; S288-E292 PolarHBondContact O-N 2.87Å |
| 289 | E | 42.8 | Very low | 41.8 | Very low | 67 Ų | 67 | 76.7 Ų | 76.7 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.1 | -42.7 | 177.5 | -70 | -174.7 | 173.2 | 0 | 0 | 113.5 | G285 S286 E291 E292 K293 | G285-E289 VanDerWaalsContact CA-OE2 3.24Å; G285-E289 WeakPolarHBondContact CA-OE2 3.18Å; S286-E289 WeakPolarHBondContact O-CA 3.34Å; S286-E289 PolarHBondContact O-N 2.87Å; E289-E291 VanDerWaalsContact C-N 3.26Å; E289-E292 PolarHBondContact O-N 2.87Å; E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.75Å; E289-K293 VanDerWaalsContact O-N 3.14Å |
| 290 | V | 43.9 | Very low | 42.1 | Very low | 30 Ų | 30 | 76 Ų | 76 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 171.6 | 170.1 | 0 | 0 | 0 | 0 | 108.5 | R284 G285 S286 K293 F294 | R284-V290 HydrophobicContact CB-CG2 3.87Å; G285-V290 VanDerWaalsContact N-CG2 3.35Å; G285-V290 VanDerWaalsContact O-CG2 3.3Å; G285-V290 WeakPolarHBondContact O-CG2 3.38Å; S286-V290 PolarHBondContact O-N 3.01Å; V290-K293 PolarHBondContact O-N 3.48Å; V290-F294 HydrophobicContact CG1-CD2 4.35Å; V290-F294 HydrophobicContact CG1-CE2 3.78Å; V290-F294 WeakPolarHBondContact O-CD2 3.08Å |
| 291 | E | 44.4 | Very low | 42.4 | Very low | 13 Ų | 13 | 78.6 Ų | 78.6 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 174.9 | -79.2 | 170.7 | -173 | 0 | 0 | 112.5 | P287 S288 E289 K293 F294 N297 P337 R338 | P287-E291 WeakPolarHBondContact O-CB 3.32Å; P287-E291 VanDerWaalsContact O-CD 3.22Å; P287-E291 WeakPolarHBondContact O-CG 3.4Å; P287-E291 PolarHBondContact O-N 2.68Å; S288-E291 CarbonylContact O-C 3.52Å; S288-E291 PolarHBondContact O-N 3.39Å; E289-E291 VanDerWaalsContact C-N 3.26Å; E291-K293 VanDerWaalsContact C-N 3.27Å; E291-K293 PolarHBondContact O-N 2.89Å; E291-F294 WeakPolarHBondContact O-CA 3.46Å; E291-F294 WeakPolarHBondContact O-CB 3.42Å; E291-F294 PolarHBondContact O-N 2.86Å; E291-N297 VanDerWaalsContact C-ND2 3.31Å; E291-N297 WeakPolarHBondContact CA-ND2 3.37Å; E291-N297 HydrophobicContact CB-CB 4.49Å; E291-N297 WeakPolarHBondContact CB-ND2 3.35Å; E291-N297 WeakPolarHBondContact CG-ND2 3.45Å; E291-N297 WeakPolarHBondContact O-CB 3.42Å; E291-N297 PolarHBondContact O-ND2 3.32Å; E291-P337 WeakPolarHBondContact OE1-CD 3.33Å; E291-P337 WeakPolarHBondContact OE1-CG 3.27Å; E291-P337 VanDerWaalsContact OE2-CG 3.31Å; E291-P337 WeakPolarHBondContact OE2-CG 3.48Å; E291-R338 PolarHBondContact OE1-N 3.38Å |
| 292 | E | 49.4 | Very low | 42.9 | Very low | 119 Ų | 119 | 74.4 Ų | 74.4 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.5 | -35.8 | 179.8 | -86.8 | 176.4 | -164.2 | 0 | 0 | 112.3 | S288 E289 F294 | S288-E292 VanDerWaalsContact O-CB 3.28Å; S288-E292 WeakPolarHBondContact O-CB 3.22Å; S288-E292 WeakPolarHBondContact O-CG 3.08Å; S288-E292 PolarHBondContact O-N 2.87Å; E289-E292 PolarHBondContact O-N 2.87Å; E292-F294 PolarHBondContact O-N 2.87Å |
| 293 | K | 51.2 | Low | 43.5 | Very low | 179 Ų | 179 | 81.1 Ų | 81.1 | 78% | 0.778 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.7 | 174.3 | -71 | 178.3 | -175.2 | 174 | 0 | 112.7 | E289 V290 E291 | E289-K293 WeakPolarHBondContact O-CG 3.33Å; E289-K293 PolarHBondContact O-N 2.75Å; E289-K293 VanDerWaalsContact O-N 3.14Å; V290-K293 PolarHBondContact O-N 3.48Å; E291-K293 VanDerWaalsContact C-N 3.27Å; E291-K293 PolarHBondContact O-N 2.89Å |
| 294 | F | 45.2 | Very low | 44.2 | Very low | 61 Ų | 61 | 79.4 Ų | 79.4 | 27% | 0.268 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -82.9 | 128.6 | 174.4 | -77.6 | -80 | 0 | 0 | 0 | 111.7 | V290 E291 E292 A296 N297 L372 | V290-F294 HydrophobicContact CG1-CD2 4.35Å; V290-F294 HydrophobicContact CG1-CE2 3.78Å; V290-F294 WeakPolarHBondContact O-CD2 3.08Å; E291-F294 WeakPolarHBondContact O-CA 3.46Å; E291-F294 WeakPolarHBondContact O-CB 3.42Å; E291-F294 PolarHBondContact O-N 2.86Å; E292-F294 PolarHBondContact O-N 2.87Å; F294-A296 PolarHBondContact O-N 2.91Å; F294-N297 PolarHBondContact O-N 2.84Å; F294-L372 HydrophobicContact CD2-CD2 4.24Å; F294-L372 HydrophobicContact CE1-CD2 4.01Å; F294-L372 HydrophobicContact CE2-CD2 3.63Å; F294-L372 HydrophobicContact CZ-CD2 3.51Å |
| 295 | P | 49.3 | Very low | 45.1 | Very low | 89 Ų | 89 | 78.3 Ų | 78.3 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -53.6 | -31.2 | -178.1 | -25.8 | 31.6 | 0 | 0 | 0 | 114.5 | N297 | P295-N297 PolarHBondContact O-N 3.32Š|
| 296 | A | 45.7 | Very low | 46.5 | Very low | 55 Ų | 55 | 79.6 Ų | 79.6 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -70.5 | -13.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F294 | F294-A296 PolarHBondContact O-N 2.91Š|
| 297 | N | 43.5 | Very low | 48.3 | Very low | 12 Ų | 12 | 83.6 Ų | 83.6 | 6% | 0.064 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -108.6 | 4.4 | -172.8 | -66.7 | -20.9 | 0 | 0 | 0 | 113.8 | E291 F294 P295 S299 I300 | E291-N297 VanDerWaalsContact C-ND2 3.31Å; E291-N297 WeakPolarHBondContact CA-ND2 3.37Å; E291-N297 HydrophobicContact CB-CB 4.49Å; E291-N297 WeakPolarHBondContact CB-ND2 3.35Å; E291-N297 WeakPolarHBondContact CG-ND2 3.45Å; E291-N297 WeakPolarHBondContact O-CB 3.42Å; E291-N297 PolarHBondContact O-ND2 3.32Å; F294-N297 PolarHBondContact O-N 2.84Å; P295-N297 PolarHBondContact O-N 3.32Å; N297-S299 PolarHBondContact O-N 3.22Å; N297-I300 HydrophobicContact CB-CD1 4.16Å; N297-I300 HydrophobicContact CB-CG1 4.49Å; N297-I300 PolarHBondContact O-N 3.48Å |
| 298 | K | 51.5 | Low | 50.6 | Low | 185 Ų | 185 | 81.4 Ų | 81.4 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -16.6 | 172.4 | -73.1 | -172.1 | 176 | -175.4 | 0 | 113.6 | ||
| 299 | S | 48.6 | Very low | 53.1 | Low | 100 Ų | 100 | 83.6 Ų | 83.6 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -12.1 | 177.4 | 57.7 | 0 | 0 | 0 | 0 | 115 | N297 K301 | N297-S299 PolarHBondContact O-N 3.22Å; S299-K301 PolarHBondContact O-N 3.13Å; S299-K301 VanDerWaalsContact O-N 3.15Å |
| 300 | I | 45 | Very low | 55.7 | Low | 64 Ų | 64 | 82.8 Ų | 82.8 | 33% | 0.328 | 43% | 0.427 | S | S | . | . | trans | -81.8 | 96 | 177.3 | -56 | 178.3 | 0 | 0 | 0 | 107.6 | N297 | N297-I300 HydrophobicContact CB-CD1 4.16Å; N297-I300 HydrophobicContact CB-CG1 4.49Å; N297-I300 PolarHBondContact O-N 3.48Å | ||
| 301 | K | 41.1 | Very low | 58.2 | Low | 202 Ų | 202 | 86 Ų | 86 | 88% | 0.878 | 44% | 0.442 | S | S | * | . | trans | -84 | 125.5 | 173.6 | -74.1 | -173.3 | 175.7 | -176.7 | 0 | 110.3 | S299 | S299-K301 PolarHBondContact O-N 3.13Å; S299-K301 VanDerWaalsContact O-N 3.15Å | ||
| 302 | G | 44.5 | Very low | 60.8 | Low | 53 Ų | 53 | 90.1 Ų | 90.1 | 55% | 0.546 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 116.2 | 131.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q304 | G302-Q304 PolarHBondContact O-N 2.94Å; G302-Q304 VanDerWaalsContact O-N 3.11Å |
| 303 | R | 47.1 | Very low | 63.1 | Low | 173 Ų | 173 | 85.3 Ų | 85.3 | 65% | 0.653 | 44% | 0.437 | S | S | * | . | trans | -61.3 | 114.5 | 170.1 | -72.4 | -177.5 | 178.3 | 171.5 | -2 | 108.1 | H305 | R303-H305 WeakPolarHBondContact CB-NE2 3.33Å; R303-H305 PolarHBondContact O-CD2 3.26Å; R303-H305 VanDerWaalsContact O-CD2 3.3Å; R303-H305 PolarHBondContact O-N 3.32Å | ||
| 304 | Q | 51.5 | Low | 65.4 | Low | 69 Ų | 69 | 78.5 Ų | 78.5 | 32% | 0.322 | 41% | 0.41 | S | S | . | . | trans | -86.9 | 97.9 | 174.8 | -73.8 | -167.7 | 7.5 | 0 | 0 | 107.3 | M1 G302 | M1-Q304 HydrophobicContact CE-CB 3.38Å; M1-Q304 HydrophobicContact CE-CG 3.47Å; M1-Q304 VanDerWaalsContact CE-CG 3.47Å; M1-Q304 HydrophobicContact SD-CB 3.89Å; M1-Q304 HydrophobicContact SD-CG 4.23Å; M1-Q304 PolarHBondContact SD-OE1 3.17Å; G302-Q304 PolarHBondContact O-N 2.94Å; G302-Q304 VanDerWaalsContact O-N 3.11Å | ||
| 305 | H | 52.9 | Low | 67.9 | Low | 71 Ų | 71 | 76.3 Ų | 76.3 | 33% | 0.329 | 40% | 0.403 | S | S | . | . | trans | -83.9 | 149.3 | -179.3 | -64.9 | -90 | 0 | 0 | 0 | 110.9 | R256 D257 R303 E307 | R256-H305 PolarHBondContact O-ND1 3.09Å; D257-H305 IonicContact OD1-CE1 3.89Å; D257-H305 PolarHBondContact OD1-CE1 3.01Å; D257-H305 IonicContact OD1-ND1 3.5Å; R303-H305 WeakPolarHBondContact CB-NE2 3.33Å; R303-H305 PolarHBondContact O-CD2 3.26Å; R303-H305 VanDerWaalsContact O-CD2 3.3Å; R303-H305 PolarHBondContact O-N 3.32Å; H305-E307 PolarHBondContact O-N 3.16Å | ||
| 306 | P | 61.5 | Low | 70.3 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | trans | -52 | 131.5 | 166.4 | -22 | 32.4 | 0 | 0 | 0 | 110 | Y165 V254 | Y165-P306 HydrophobicContact CE1-CB 4.26Å; Y165-P306 HydrophobicContact CE2-CB 4.42Å; V254-P306 HydrophobicContact CG1-CB 3.99Å; V254-P306 WeakPolarHBondContact CG1-O 3.43Å | ||
| 307 | E | 74.5 | Confident | 72.7 | Confident | 102 Ų | 102 | 73 Ų | 73 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | trans | -134.8 | 127.5 | 176.6 | -173.8 | 178.2 | -163.8 | 0 | 0 | 107.7 | Y165 H305 V309 S334 | Y165-E307 PolarHBondContact OH-N 2.91Å; Y165-E307 PolarHBondContact OH-O 3.49Å; H305-E307 PolarHBondContact O-N 3.16Å; E307-V309 HydrophobicContact CG-CG2 4.37Å; E307-S334 PolarHBondContact O-N 2.99Å | ||
| 308 | A | 88 | Confident | 75.2 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 11% | 0.107 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y165 V254 K332 L333 | Y165-A308 HydrophobicContact CD1-CB 4.18Å; Y165-A308 HydrophobicContact CE1-CB 3.97Å; V254-A308 HydrophobicContact CG2-CB 3.36Å; A308-K332 WeakPolarHBondContact CA-O 3.36Å; A308-L333 HydrophobicContact CB-CD2 3.46Å; A308-L333 VanDerWaalsContact CB-CD2 3.46Å |
| 309 | V | 93.9 | Very high | 77.4 | Confident | 63 Ų | 63 | 68.9 Ų | 68.9 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.2 | 170 | -177 | 0 | 0 | 0 | 0 | 107.8 | E307 L311 F331 K332 | E307-V309 HydrophobicContact CG-CG2 4.37Å; V309-L311 HydrophobicContact CG1-CD2 4.02Å; V309-L311 PolarHBondContact O-N 3.24Å; V309-F331 CarbonylContact O-C 3.58Å; V309-F331 WeakPolarHBondContact O-CA 3.32Å; V309-K332 HydrophobicContact CB-CB 4.35Å; V309-K332 PolarHBondContact N-O 3.02Å; V309-K332 PolarHBondContact O-N 3.15Å |
| 310 | L | 96.9 | Very high | 79.7 | Confident | 50 Ų | 50 | 67 Ų | 67 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 115.8 | 171.6 | 179.4 | 70.7 | 0 | 0 | 0 | 109.2 | Y252 K312 A329 F331 | Y252-L310 HydrophobicContact CE1-CD2 4.49Å; L310-K312 WeakPolarHBondContact CD1-O 3.3Å; L310-A329 HydrophobicContact CD1-CB 4.28Å; L310-F331 HydrophobicContact CB-CD1 4.35Å; L310-F331 HydrophobicContact CB-CE1 4.32Å; L310-F331 HydrophobicContact CD1-CD1 3.87Å; L310-F331 HydrophobicContact CD1-CE1 3.4Å; L310-F331 VanDerWaalsContact CD1-CE1 3.4Å; L310-F331 HydrophobicContact CD1-CZ 3.78Å; L310-F331 HydrophobicContact CG-CE1 4.44Å |
| 311 | L | 97.6 | Very high | 82.1 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -32.1 | -179.2 | -59.5 | -176.9 | 0 | 0 | 0 | 112.8 | I5 V309 V330 K332 | I5-L311 HydrophobicContact CD1-CD1 4.07Å; V309-L311 HydrophobicContact CG1-CD2 4.02Å; V309-L311 PolarHBondContact O-N 3.24Å; L311-V330 HydrophobicContact CB-CB 4.34Å; L311-V330 HydrophobicContact CB-CG1 4.36Å; L311-V330 WeakPolarHBondContact CB-O 3.43Å; L311-V330 HydrophobicContact CD1-CG1 4.23Å; L311-V330 PolarHBondContact N-O 2.83Å; L311-K332 HydrophobicContact CD1-CB 4.01Å; L311-K332 HydrophobicContact CD2-CB 4.3Å; L311-K332 HydrophobicContact CG-CB 4.19Å |
| 312 | K | 98.1 | Very high | 84.7 | Confident | 100 Ų | 100 | 56.6 Ų | 56.6 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 138.8 | -177.4 | -171.4 | 174.3 | -177.8 | -177 | 0 | 109.7 | L310 T314 I328 A329 V330 | L310-K312 WeakPolarHBondContact CD1-O 3.3Å; K312-T314 HydrophobicContact CD-CG2 4.48Å; K312-T314 VanDerWaalsContact CE-CG2 3.48Å; K312-T314 HydrophobicContact CG-CG2 4.37Å; K312-I328 HydrophobicContact CD-CD1 4.13Å; K312-A329 CarbonylContact O-C 3.52Å; K312-A329 WeakPolarHBondContact O-CA 3.42Å; K312-V330 HydrophobicContact CB-CB 4.03Å; K312-V330 HydrophobicContact CB-CG2 4.02Å; K312-V330 PolarHBondContact N-O 3.23Å; K312-V330 PolarHBondContact O-N 2.82Å |
| 313 | Y | 98.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 114 | 167.1 | -175.4 | -132.5 | 0 | 0 | 0 | 109 | E217 G218 I220 F222 I250 V327 I328 A329 | E217-Y313 HydrophobicContact CG-CE1 3.73Å; E217-Y313 PolarHBondContact OE1-OH 2.88Å; G218-Y313 VanDerWaalsContact C-CD1 3.46Å; G218-Y313 VanDerWaalsContact CA-CD1 3.47Å; G218-Y313 VanDerWaalsContact O-CD1 3.29Å; G218-Y313 WeakPolarHBondContact O-CD1 3.44Å; G218-Y313 VanDerWaalsContact O-CE1 3.3Å; G218-Y313 WeakPolarHBondContact O-CE1 3.43Å; I220-Y313 HydrophobicContact CG1-CE1 3.82Å; F222-Y313 AromaticContact CE1-CD1 3.95Å; F222-Y313 HydrophobicContact CE1-CD1 3.95Å; F222-Y313 AromaticContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CE1 3.97Å; F222-Y313 HydrophobicContact CE1-CG 4.38Å; F222-Y313 HydrophobicContact CZ-CE1 4.1Å; I250-Y313 HydrophobicContact CB-CE2 3.9Å; I250-Y313 HydrophobicContact CG1-CE2 4.41Å; I250-Y313 PolarHBondContact N-OH 2.84Å; Y313-V327 HydrophobicContact CD2-CG1 4.15Å; Y313-V327 HydrophobicContact CE2-CG1 3.45Å; Y313-V327 VanDerWaalsContact CE2-CG1 3.45Å; Y313-I328 WeakPolarHBondContact CA-O 3.34Å; Y313-I328 WeakPolarHBondContact CD2-O 3.33Å; Y313-A329 HydrophobicContact CD2-CB 3.89Å |
| 314 | T | 98.6 | Very high | 89.7 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 164 | -174.3 | -158.1 | 0 | 0 | 0 | 0 | 112.4 | K312 L316 V327 I328 | K312-T314 HydrophobicContact CD-CG2 4.48Å; K312-T314 VanDerWaalsContact CE-CG2 3.48Å; K312-T314 HydrophobicContact CG-CG2 4.37Å; T314-L316 HydrophobicContact CG2-CD2 4.28Å; T314-V327 WeakPolarHBondContact O-CA 3.33Å; T314-I328 HydrophobicContact CG2-CD1 4.16Å; T314-I328 HydrophobicContact CG2-CG1 3.85Å; T314-I328 PolarHBondContact N-O 3.34Å; T314-I328 PolarHBondContact O-N 3.34Å |
| 315 | S | 98.7 | Very high | 91.9 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 155.6 | 166.1 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | F222 P326 | F222-S315 VanDerWaalsContact CD2-CB 3.49Å; F222-S315 VanDerWaalsContact CD2-OG 3.28Å; F222-S315 WeakPolarHBondContact CD2-OG 3.28Å; S315-P326 CarbonylContact C-O 3.45Å; S315-P326 WeakPolarHBondContact CA-O 3.44Å; S315-P326 WeakPolarHBondContact CB-O 3.17Å |
| 316 | L | 98.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -109 | 104.1 | -178.4 | -58.7 | -178.5 | 0 | 0 | 0 | 110.1 | L26 T314 E318 Y319 P326 I328 | L26-L316 HydrophobicContact CB-CD1 4.27Å; L26-L316 HydrophobicContact CD1-CD1 3.87Å; T314-L316 HydrophobicContact CG2-CD2 4.28Å; L316-E318 VanDerWaalsContact C-N 3.29Å; L316-E318 WeakPolarHBondContact CA-OE2 3.31Å; L316-E318 PolarHBondContact O-N 3.42Å; L316-Y319 HydrophobicContact CB-CD2 3.58Å; L316-Y319 HydrophobicContact CB-CE2 3.86Å; L316-Y319 HydrophobicContact CD1-CD2 4.12Å; L316-Y319 HydrophobicContact CD1-CE2 3.67Å; L316-Y319 HydrophobicContact CG-CE2 4.39Å; L316-P326 HydrophobicContact CB-CB 4.43Å; L316-P326 HydrophobicContact CB-CG 4.42Å; L316-P326 PolarHBondContact N-O 3.39Å; L316-I328 HydrophobicContact CD1-CD1 4.35Å; L316-I328 HydrophobicContact CD1-CG2 3.88Å; L316-I328 HydrophobicContact CD2-CD1 3.96Å; L316-I328 HydrophobicContact CD2-CG1 4.28Å; L316-I328 HydrophobicContact CG-CD1 4.42Å; L316-I328 HydrophobicContact CG-CG1 4.38Å; L316-I328 HydrophobicContact CG-CG2 4.39Å | ||
| 317 | N | 96 | Very high | 95.9 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 34% | 0.342 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.5 | -174.8 | -166 | 61.3 | 0 | 0 | 0 | 113.7 | D233 Y319 K320 R325 | D233-N317 PolarHBondContact OD1-ND2 2.65Å; D233-N317 PolarHBondContact OD1-OD1 2.88Å; N317-Y319 VanDerWaalsContact C-N 3.28Å; N317-Y319 PolarHBondContact O-N 3.37Å; N317-K320 WeakPolarHBondContact O-CE 3.23Å; N317-K320 WeakPolarHBondContact O-CG 3.39Å; N317-R325 PolarHBondContact OD1-NE 3.33Å; N317-R325 VanDerWaalsContact OD1-NE 3.09Å |
| 318 | E | 95.9 | Very high | 97.1 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 49% | 0.491 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.5 | 179.1 | 64.9 | -89 | -147.7 | 0 | 0 | 113.4 | S25 L316 | S25-E318 WeakPolarHBondContact CB-OE1 3.3Å; L316-E318 VanDerWaalsContact C-N 3.29Å; L316-E318 WeakPolarHBondContact CA-OE2 3.31Å; L316-E318 PolarHBondContact O-N 3.42Å |
| 319 | Y | 97.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | trans | -92 | 113.8 | 176.6 | -57.6 | -89.4 | 0 | 0 | 0 | 110 | W11 E21 D22 L23 L26 L316 N317 R325 P326 | W11-Y319 HydrophobicContact CH2-CD1 4.23Å; W11-Y319 HydrophobicContact CH2-CG 4.49Å; W11-Y319 HydrophobicContact CZ3-CD1 4.31Å; E21-Y319 HydrophobicContact CG-CD1 4.4Å; E21-Y319 WeakPolarHBondContact OE2-CD1 3.16Å; D22-Y319 PolarHBondContact O-OH 2.58Å; L23-Y319 HydrophobicContact CD2-CE1 3.98Å; L26-Y319 HydrophobicContact CB-CE1 4.12Å; L26-Y319 HydrophobicContact CB-CE2 4.05Å; L26-Y319 WeakPolarHBondContact CB-OH 3.47Å; L26-Y319 HydrophobicContact CD1-CE2 4.45Å; L26-Y319 PolarHBondContact N-OH 2.83Å; L316-Y319 HydrophobicContact CB-CD2 3.58Å; L316-Y319 HydrophobicContact CB-CE2 3.86Å; L316-Y319 HydrophobicContact CD1-CD2 4.12Å; L316-Y319 HydrophobicContact CD1-CE2 3.67Å; L316-Y319 HydrophobicContact CG-CE2 4.39Å; N317-Y319 VanDerWaalsContact C-N 3.28Å; N317-Y319 PolarHBondContact O-N 3.37Å; Y319-R325 WeakPolarHBondContact O-CD 3.4Å; Y319-P326 HydrophobicContact CD2-CG 3.93Å; Y319-P326 HydrophobicContact CG-CG 3.91Å | ||
| 320 | K | 96.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 26% | 0.261 | 16% | 0.156 | S | C | . | . | trans | -129.4 | 3.8 | -170.4 | -52.3 | -175.3 | -171.1 | -179 | 0 | 114.1 | G231 D233 N317 S322 | G231-K320 WeakPolarHBondContact CA-O 3.36Å; G231-K320 PolarHBondContact N-O 3.31Å; D233-K320 VanDerWaalsContact CG-NZ 3.27Å; D233-K320 WeakPolarHBondContact OD1-CE 3.28Å; D233-K320 IonicContact OD1-NZ 3.89Å; D233-K320 PolarHBondContact OD1-NZ 3.02Å; D233-K320 IonicContact OD2-NZ 3.97Å; D233-K320 PolarHBondContact OD2-NZ 2.85Å; N317-K320 WeakPolarHBondContact O-CE 3.23Å; N317-K320 WeakPolarHBondContact O-CG 3.39Å; K320-S322 VanDerWaalsContact C-N 3.31Å; K320-S322 CarbonylContact C-O 3.46Å; K320-S322 PolarHBondContact O-N 3.27Å | ||
| 321 | T | 95.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 28.4 Ų | 28.4 | 29% | 0.288 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -62.6 | -40.8 | 179.7 | 43.3 | 0 | 0 | 0 | 0 | 111.3 | W11 E21 | W11-T321 VanDerWaalsContact CH2-OG1 3.32Å; W11-T321 WeakPolarHBondContact CH2-OG1 3.3Å; W11-T321 WeakPolarHBondContact CZ2-OG1 3.32Å; E21-T321 WeakPolarHBondContact OE1-CG2 3.33Å; E21-T321 PolarHBondContact OE1-OG1 2.97Å |
| 322 | S | 96.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -83.7 | 159.1 | 171.5 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | N12 K320 H324 | N12-S322 WeakPolarHBondContact O-CB 3.3Å; N12-S322 PolarHBondContact O-OG 2.82Å; K320-S322 VanDerWaalsContact C-N 3.31Å; K320-S322 CarbonylContact C-O 3.46Å; K320-S322 PolarHBondContact O-N 3.27Å; S322-H324 PolarHBondContact O-N 3.11Å; S322-H324 PolarHBondContact OG-N 2.88Å |
| 323 | D | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -77 | -2.4 | 166.2 | 60.1 | -24 | 0 | 0 | 0 | 113 | K227 F228 K230 | K227-D323 WeakPolarHBondContact CA-O 3.34Å; K227-D323 WeakPolarHBondContact CE-OD2 3.48Å; K227-D323 HydrophobicContact CG-CB 3.89Å; K227-D323 IonicContact NZ-OD2 3.73Å; K227-D323 PolarHBondContact NZ-OD2 2.92Å; F228-D323 PolarHBondContact N-O 3.38Å; F228-D323 WeakPolarHBondContact O-CB 3.33Å; K230-D323 HydrophobicContact CG-CB 4.16Å |
| 324 | H | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -106.1 | 155.8 | 166.6 | -70.7 | -113.2 | 0 | 0 | 0 | 112.2 | W11 N12 D171 T225 F226 T247 D248 S322 | W11-H324 PolarHBondContact NE1-O 3.15Å; N12-H324 HydrophobicContact CB-CB 4.12Å; N12-H324 WeakPolarHBondContact O-CB 3.35Å; D171-H324 IonicContact OD2-CE1 3.57Å; D171-H324 PolarHBondContact OD2-CE1 2.76Å; D171-H324 IonicContact OD2-NE2 3.53Å; T225-H324 CarbonylContact O-C 3.42Å; T225-H324 VanDerWaalsContact O-CA 3.23Å; T225-H324 WeakPolarHBondContact O-CA 3.21Å; F226-H324 AromaticContact CD2-CD2 3.53Å; F226-H324 AromaticContact CD2-CE1 3.28Å; F226-H324 WeakPolarHBondContact CD2-CE1 3.16Å; F226-H324 AromaticContact CD2-CG 3.94Å; F226-H324 AromaticContact CD2-ND1 3.8Å; F226-H324 AromaticContact CD2-NE2 3.04Å; F226-H324 WeakPolarHBondContact CD2-NE2 3.15Å; F226-H324 AromaticContact CE2-CE1 3.94Å; F226-H324 AromaticContact CE2-NE2 3.36Å; F226-H324 WeakPolarHBondContact CE2-NE2 3.08Å; F226-H324 AromaticContact CG-CE1 3.84Å; T247-H324 PolarHBondContact OG1-CE1 3.15Å; T247-H324 PolarHBondContact OG1-ND1 3.3Å; D248-H324 IonicContact OD1-ND1 3.94Å; D248-H324 IonicContact OD2-CE1 2.74Å; D248-H324 IonicContact OD2-CG 3.35Å; D248-H324 IonicContact OD2-ND1 2.9Å; D248-H324 PolarHBondContact OD2-ND1 2.69Å; S322-H324 PolarHBondContact O-N 3.11Å; S322-H324 PolarHBondContact OG-N 2.88Å |
| 325 | R | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | trans | -101.1 | 135.7 | 168.3 | -65.2 | -62.7 | -174.7 | -92.1 | -1.6 | 111.2 | T225 F228 T232 D233 N317 Y319 | T225-R325 HydrophobicContact CG2-CB 4.44Å; T225-R325 PolarHBondContact O-N 3.29Å; F228-R325 HydrophobicContact CD2-CG 4Å; F228-R325 HydrophobicContact CE2-CG 3.51Å; F228-R325 HydrophobicContact CZ-CG 4.07Å; T232-R325 PolarHBondContact O-NH2 3.17Å; D233-R325 IonicContact OD1-NH2 2.86Å; D233-R325 PolarHBondContact OD1-NH2 3.11Å; D233-R325 VanDerWaalsContact OD1-NH2 3.11Å; N317-R325 PolarHBondContact OD1-NE 3.33Å; N317-R325 VanDerWaalsContact OD1-NE 3.09Å; Y319-R325 WeakPolarHBondContact O-CD 3.4Å | ||
| 326 | P | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -59.7 | 147.4 | 172.7 | -13.6 | 21.5 | 0 | 0 | 0 | 111.9 | T10 W11 L26 S315 L316 Y319 | T10-P326 WeakPolarHBondContact O-CA 3.45Å; W11-P326 HydrophobicContact CB-CB 4.03Å; W11-P326 HydrophobicContact CB-CG 4.31Å; W11-P326 HydrophobicContact CD2-CB 4.31Å; W11-P326 HydrophobicContact CD2-CG 3.63Å; W11-P326 HydrophobicContact CE3-CG 4.09Å; W11-P326 HydrophobicContact CG-CB 3.96Å; W11-P326 HydrophobicContact CG-CG 3.71Å; W11-P326 HydrophobicContact CZ2-CG 4.4Å; L26-P326 HydrophobicContact CD1-CB 3.36Å; L26-P326 HydrophobicContact CD1-CG 3.7Å; S315-P326 CarbonylContact C-O 3.45Å; S315-P326 WeakPolarHBondContact CA-O 3.44Å; S315-P326 WeakPolarHBondContact CB-O 3.17Å; L316-P326 HydrophobicContact CB-CB 4.43Å; L316-P326 HydrophobicContact CB-CG 4.42Å; L316-P326 PolarHBondContact N-O 3.39Å; Y319-P326 HydrophobicContact CD2-CG 3.93Å; Y319-P326 HydrophobicContact CG-CG 3.91Å | ||
| 327 | V | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.6 | 170.6 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | C9 T10 F222 T225 D248 I250 Y313 T314 | C9-V327 WeakPolarHBondContact CA-O 3.18Å; T10-V327 HydrophobicContact CG2-CB 3.99Å; T10-V327 PolarHBondContact N-O 3.05Å; T10-V327 PolarHBondContact O-N 3.43Å; F222-V327 HydrophobicContact CE2-CG2 4.23Å; F222-V327 HydrophobicContact CZ-CG1 4.32Å; F222-V327 HydrophobicContact CZ-CG2 4.45Å; T225-V327 HydrophobicContact CG2-CG2 3.58Å; D248-V327 HydrophobicContact CB-CB 4.47Å; D248-V327 HydrophobicContact CB-CG2 3.82Å; I250-V327 HydrophobicContact CD1-CG1 4.07Å; I250-V327 HydrophobicContact CG1-CG1 4.12Å; Y313-V327 HydrophobicContact CD2-CG1 4.15Å; Y313-V327 HydrophobicContact CE2-CG1 3.45Å; Y313-V327 VanDerWaalsContact CE2-CG1 3.45Å; T314-V327 WeakPolarHBondContact O-CA 3.33Å |
| 328 | I | 98.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146.2 | 176.1 | 62.8 | 165.3 | 0 | 0 | 0 | 111.3 | C8 C9 K312 Y313 T314 L316 | C8-I328 CarbonylContact O-C 3.53Å; C8-I328 VanDerWaalsContact O-CA 3.27Å; C8-I328 WeakPolarHBondContact O-CA 3.38Å; C9-I328 HydrophobicContact CB-CG2 4.02Å; K312-I328 HydrophobicContact CD-CD1 4.13Å; Y313-I328 WeakPolarHBondContact CA-O 3.34Å; Y313-I328 WeakPolarHBondContact CD2-O 3.33Å; T314-I328 HydrophobicContact CG2-CD1 4.16Å; T314-I328 HydrophobicContact CG2-CG1 3.85Å; T314-I328 PolarHBondContact N-O 3.34Å; T314-I328 PolarHBondContact O-N 3.34Å; L316-I328 HydrophobicContact CD1-CD1 4.35Å; L316-I328 HydrophobicContact CD1-CG2 3.88Å; L316-I328 HydrophobicContact CD2-CD1 3.96Å; L316-I328 HydrophobicContact CD2-CG1 4.28Å; L316-I328 HydrophobicContact CG-CD1 4.42Å; L316-I328 HydrophobicContact CG-CG1 4.38Å; L316-I328 HydrophobicContact CG-CG2 4.39Å |
| 329 | A | 98.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | C8 I250 L310 K312 Y313 F331 | C8-A329 HydrophobicContact CB-CB 4.38Å; C8-A329 PolarHBondContact N-O 2.87Å; C8-A329 PolarHBondContact O-N 2.9Å; I250-A329 HydrophobicContact CB-CB 4.05Å; I250-A329 HydrophobicContact CD1-CB 3.8Å; I250-A329 HydrophobicContact CG2-CB 3.74Å; L310-A329 HydrophobicContact CD1-CB 4.28Å; K312-A329 CarbonylContact O-C 3.52Å; K312-A329 WeakPolarHBondContact O-CA 3.42Å; Y313-A329 HydrophobicContact CD2-CB 3.89Å; A329-F331 HydrophobicContact CB-CD2 4.42Å; A329-F331 HydrophobicContact CB-CE2 3.46Å; A329-F331 VanDerWaalsContact CB-CE2 3.46Å; A329-F331 HydrophobicContact CB-CZ 3.66Å |
| 330 | V | 98.8 | Very high | 89.6 | Confident | 18 Ų | 18 | 19.6 Ų | 19.6 | 11% | 0.109 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.4 | 179 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | I5 V6 H7 L311 K312 | I5-V330 HydrophobicContact CG2-CG1 3.81Å; V6-V330 CarbonylContact O-C 3.58Å; V6-V330 WeakPolarHBondContact O-CA 3.46Å; H7-V330 WeakPolarHBondContact ND1-CG2 3.42Å; L311-V330 HydrophobicContact CB-CB 4.34Å; L311-V330 HydrophobicContact CB-CG1 4.36Å; L311-V330 WeakPolarHBondContact CB-O 3.43Å; L311-V330 HydrophobicContact CD1-CG1 4.23Å; L311-V330 PolarHBondContact N-O 2.83Å; K312-V330 HydrophobicContact CB-CB 4.03Å; K312-V330 HydrophobicContact CB-CG2 4.02Å; K312-V330 PolarHBondContact N-O 3.23Å; K312-V330 PolarHBondContact O-N 2.82Å |
| 331 | F | 98.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.8 | -176.3 | -56.3 | -89.4 | 0 | 0 | 0 | 110.7 | I5 V6 C8 F167 I250 Y252 V309 L310 A329 L333 | I5-F331 CarbonylContact C-O 3.57Å; I5-F331 WeakPolarHBondContact CA-O 3.2Å; V6-F331 HydrophobicContact CB-CB 4.48Å; V6-F331 PolarHBondContact N-O 2.72Å; V6-F331 PolarHBondContact O-N 3.01Å; C8-F331 HydrophobicContact CB-CE2 4.24Å; F167-F331 AromaticContact CD1-CD2 3.95Å; F167-F331 HydrophobicContact CD1-CD2 3.95Å; F167-F331 AromaticContact CD1-CE2 3.66Å; F167-F331 HydrophobicContact CD1-CE2 3.66Å; F167-F331 HydrophobicContact CD1-CZ 4.05Å; F167-F331 HydrophobicContact CE1-CB 4.35Å; F167-F331 HydrophobicContact CE1-CD1 4.1Å; F167-F331 AromaticContact CE1-CD2 3.45Å; F167-F331 HydrophobicContact CE1-CD2 3.45Å; F167-F331 VanDerWaalsContact CE1-CD2 3.45Å; F167-F331 HydrophobicContact CE1-CE1 4.24Å; F167-F331 AromaticContact CE1-CE2 3.62Å; F167-F331 HydrophobicContact CE1-CE2 3.62Å; F167-F331 AromaticContact CE1-CG 3.7Å; F167-F331 HydrophobicContact CE1-CG 3.7Å; F167-F331 HydrophobicContact CE1-CZ 4.02Å; F167-F331 HydrophobicContact CZ-CD2 4.33Å; F167-F331 HydrophobicContact CZ-CG 4.43Å; I250-F331 HydrophobicContact CG2-CE2 4.47Å; I250-F331 HydrophobicContact CG2-CZ 4.42Å; Y252-F331 AromaticContact CD1-CE1 3.41Å; Y252-F331 HydrophobicContact CD1-CE1 3.41Å; Y252-F331 VanDerWaalsContact CD1-CE1 3.41Å; Y252-F331 AromaticContact CD1-CZ 3.76Å; Y252-F331 HydrophobicContact CD1-CZ 3.76Å; Y252-F331 HydrophobicContact CD2-CD1 4.43Å; Y252-F331 AromaticContact CD2-CE1 3.89Å; Y252-F331 HydrophobicContact CD2-CE1 3.89Å; Y252-F331 AromaticContact CE1-CE1 3.78Å; Y252-F331 HydrophobicContact CE1-CE1 3.78Å; Y252-F331 HydrophobicContact CE1-CZ 4.44Å; Y252-F331 HydrophobicContact CE2-CE1 4.23Å; Y252-F331 HydrophobicContact CG-CD1 4.37Å; Y252-F331 AromaticContact CG-CE1 3.46Å; Y252-F331 HydrophobicContact CG-CE1 3.46Å; Y252-F331 VanDerWaalsContact CG-CE1 3.46Å; Y252-F331 AromaticContact CG-CZ 3.91Å; Y252-F331 HydrophobicContact CG-CZ 3.91Å; V309-F331 CarbonylContact O-C 3.58Å; V309-F331 WeakPolarHBondContact O-CA 3.32Å; L310-F331 HydrophobicContact CB-CD1 4.35Å; L310-F331 HydrophobicContact CB-CE1 4.32Å; L310-F331 HydrophobicContact CD1-CD1 3.87Å; L310-F331 HydrophobicContact CD1-CE1 3.4Å; L310-F331 VanDerWaalsContact CD1-CE1 3.4Å; L310-F331 HydrophobicContact CD1-CZ 3.78Å; L310-F331 HydrophobicContact CG-CE1 4.44Å; A329-F331 HydrophobicContact CB-CD2 4.42Å; A329-F331 HydrophobicContact CB-CE2 3.46Å; A329-F331 VanDerWaalsContact CB-CE2 3.46Å; A329-F331 HydrophobicContact CB-CZ 3.66Å; F331-L333 HydrophobicContact CB-CD2 3.75Å; F331-L333 HydrophobicContact CB-CG 4.43Å |
| 332 | K | 95.2 | Very high | 88.5 | Confident | 94 Ų | 94 | 16.7 Ų | 16.7 | 41% | 0.409 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 162.5 | -178.7 | -179.5 | -177.4 | -177.1 | 0 | 108.5 | S3 L4 I5 A308 V309 L311 | S3-K332 WeakPolarHBondContact OG-CE 3.49Å; L4-K332 CarbonylContact O-C 3.5Å; L4-K332 WeakPolarHBondContact O-CA 3.37Å; I5-K332 HydrophobicContact CD1-CB 3.88Å; I5-K332 HydrophobicContact CD1-CG 3.94Å; A308-K332 WeakPolarHBondContact CA-O 3.36Å; V309-K332 HydrophobicContact CB-CB 4.35Å; V309-K332 PolarHBondContact N-O 3.02Å; V309-K332 PolarHBondContact O-N 3.15Å; L311-K332 HydrophobicContact CD1-CB 4.01Å; L311-K332 HydrophobicContact CD2-CB 4.3Å; L311-K332 HydrophobicContact CG-CB 4.19Å |
| 333 | L | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132.6 | -176.9 | -50.6 | -174.2 | 0 | 0 | 0 | 110 | S3 L4 V6 M122 Y165 F167 A308 F331 | S3-L333 CarbonylContact C-O 3.56Å; S3-L333 WeakPolarHBondContact CA-O 3.42Å; S3-L333 WeakPolarHBondContact CB-O 3.4Å; L4-L333 PolarHBondContact N-O 2.67Å; L4-L333 PolarHBondContact O-N 2.99Å; V6-L333 HydrophobicContact CB-CD1 4.16Å; V6-L333 HydrophobicContact CB-CG 4.5Å; V6-L333 HydrophobicContact CG2-CD1 3.32Å; V6-L333 HydrophobicContact CG2-CG 3.92Å; M122-L333 HydrophobicContact CE-CD1 3.24Å; Y165-L333 HydrophobicContact CD1-CD1 4.28Å; Y165-L333 HydrophobicContact CD1-CD2 3.82Å; Y165-L333 HydrophobicContact CD2-CD1 4.02Å; Y165-L333 HydrophobicContact CE1-CB 4.27Å; Y165-L333 HydrophobicContact CE1-CD2 3.76Å; Y165-L333 HydrophobicContact CE1-CG 4.4Å; Y165-L333 HydrophobicContact CE2-CB 4.19Å; Y165-L333 HydrophobicContact CE2-CD1 4.25Å; Y165-L333 HydrophobicContact CG-CD1 4.02Å; Y165-L333 HydrophobicContact CG-CD2 4.38Å; F167-L333 HydrophobicContact CE2-CD1 4.32Å; F167-L333 HydrophobicContact CZ-CD1 3.95Å; F167-L333 HydrophobicContact CZ-CD2 4.07Å; A308-L333 HydrophobicContact CB-CD2 3.46Å; A308-L333 VanDerWaalsContact CB-CD2 3.46Å; F331-L333 HydrophobicContact CB-CD2 3.75Å; F331-L333 HydrophobicContact CB-CG 4.43Å |
| 334 | S | 82.4 | Confident | 87.7 | Confident | 25 Ų | 25 | 17.6 Ų | 17.6 | 18% | 0.175 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.4 | 170 | -69.6 | 0 | 0 | 0 | 0 | 110.3 | Y165 E307 | Y165-S334 PolarHBondContact OH-N 3Å; Y165-S334 PolarHBondContact OH-O 2.88Å; E307-S334 PolarHBondContact O-N 2.99Å |
| 335 | V | 77 | Confident | 87.4 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | trans | -115.8 | 150.4 | 173.5 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | P2 L4 I120 L382 | P2-V335 HydrophobicContact CB-CG2 3.54Å; P2-V335 HydrophobicContact CG-CG2 4.02Å; P2-V335 PolarHBondContact O-N 2.91Å; P2-V335 VanDerWaalsContact O-N 3.08Å; L4-V335 HydrophobicContact CB-CG1 4.19Å; L4-V335 HydrophobicContact CD1-CG1 3.54Å; L4-V335 HydrophobicContact CG-CG1 3.54Å; I120-V335 HydrophobicContact CD1-CB 3.59Å; I120-V335 HydrophobicContact CD1-CG1 3.37Å; V335-L382 HydrophobicContact CG2-CD1 3.76Å | ||
| 336 | P | 71.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 23.7 Ų | 23.7 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | trans | -51.7 | 136.5 | 171.5 | -31.4 | 39.7 | 0 | 0 | 0 | 112.5 | I120 P287 R338 | I120-P336 HydrophobicContact CG1-CG 4.35Å; P287-P336 HydrophobicContact CB-CB 3.8Å; P287-P336 HydrophobicContact CB-CG 3.66Å; P287-P336 HydrophobicContact CG-CB 4.25Å; P287-P336 HydrophobicContact CG-CG 3.55Å; P336-R338 WeakPolarHBondContact CB-O 3.33Å; P336-R338 PolarHBondContact O-N 3.34Å | ||
| 337 | P | 69.1 | Low | 86.7 | Confident | 16 Ų | 16 | 25.9 Ų | 25.9 | 10% | 0.104 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -64 | -22.5 | 173.6 | 21.6 | -27.3 | 0 | 0 | 0 | 112.5 | E291 L375 T378 | E291-P337 WeakPolarHBondContact OE1-CD 3.33Å; E291-P337 WeakPolarHBondContact OE1-CG 3.27Å; E291-P337 VanDerWaalsContact OE2-CG 3.31Å; E291-P337 WeakPolarHBondContact OE2-CG 3.48Å; P337-L375 HydrophobicContact CB-CD1 3.78Å; P337-T378 PolarHBondContact O-OG1 3.31Å |
| 338 | R | 69.1 | Low | 86.1 | Confident | 63 Ų | 63 | 28.1 Ų | 28.1 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | trans | -136.3 | 143.4 | 172.5 | -59 | -172.4 | -174.2 | 164.2 | 5 | 112.2 | E291 P336 L372 L373 | E291-R338 PolarHBondContact OE1-N 3.38Å; P336-R338 WeakPolarHBondContact CB-O 3.33Å; P336-R338 PolarHBondContact O-N 3.34Å; R338-L372 HydrophobicContact CB-CD1 4.17Å; R338-L372 HydrophobicContact CB-CD2 4.48Å; R338-L372 HydrophobicContact CB-CG 4.32Å; R338-L373 WeakPolarHBondContact CG-O 3.38Å | ||
| 339 | W | 75.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 28 Ų | 28 | 3% | 0.034 | 14% | 0.137 | C | C | . | . | trans | -152.5 | 164.2 | 178 | 56 | -88.7 | 0 | 0 | 0 | 110.2 | A88 C118 L373 L381 | A88-W339 VanDerWaalsContact CA-CH2 3.43Å; A88-W339 HydrophobicContact CB-CH2 3.16Å; A88-W339 HydrophobicContact CB-CZ2 3.65Å; A88-W339 HydrophobicContact CB-CZ3 3.78Å; C118-W339 VanDerWaalsContact C-CG 3.47Å; C118-W339 VanDerWaalsContact CA-CD2 3.47Å; C118-W339 HydrophobicContact CB-CD2 4.05Å; C118-W339 HydrophobicContact CB-CG 4.14Å; C118-W339 HydrophobicContact CB-CZ2 4.41Å; C118-W339 VanDerWaalsContact O-CB 3.22Å; C118-W339 WeakPolarHBondContact O-CB 3.45Å; C118-W339 VanDerWaalsContact O-CG 3.27Å; W339-L373 HydrophobicContact CD2-CD1 4.08Å; W339-L373 HydrophobicContact CE3-CD1 4.19Å; W339-L373 HydrophobicContact CH2-CD1 3.31Å; W339-L373 HydrophobicContact CZ2-CD1 3.25Å; W339-L373 HydrophobicContact CZ3-CD1 3.83Å; W339-L373 PolarHBondContact O-N 2.83Å; W339-L381 HydrophobicContact CH2-CD2 4Å; W339-L381 HydrophobicContact CZ2-CD2 3.69Å | ||
| 340 | F | 73.8 | Confident | 84 | Confident | 42 Ų | 42 | 31.9 Ų | 31.9 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -82.4 | 121.2 | -177.3 | -74.4 | -85.1 | 0 | 0 | 0 | 111 | R284 P369 P370 L372 | R284-F340 HydrophobicContact CG-CE2 4.04Å; F340-P369 HydrophobicContact CE1-CB 4.35Å; F340-P370 HydrophobicContact CB-CB 4.18Å; F340-P370 HydrophobicContact CB-CG 4.41Å; F340-P370 HydrophobicContact CD1-CB 4.16Å; F340-P370 HydrophobicContact CD1-CG 4.4Å; F340-P370 VanDerWaalsContact CD1-O 3.24Å; F340-P370 WeakPolarHBondContact CD1-O 3.35Å; F340-L372 HydrophobicContact CD1-CD1 4.42Å; F340-L372 HydrophobicContact CD2-CD1 4.21Å; F340-L372 HydrophobicContact CE1-CB 4.43Å; F340-L372 HydrophobicContact CE1-CD1 4.43Å; F340-L372 HydrophobicContact CE2-CD1 4.24Å; F340-L372 HydrophobicContact CG-CD1 4.34Å; F340-L372 HydrophobicContact CZ-CD1 4.36Å |
| 341 | S | 81.7 | Confident | 82.7 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 166 | 168.9 | 58.4 | 0 | 0 | 0 | 0 | 112 | P370 G371 | S341-P370 WeakPolarHBondContact O-CB 3.21Å; S341-G371 WeakPolarHBondContact CB-O 3.42Å; S341-G371 PolarHBondContact N-O 3.24Å; S341-G371 PolarHBondContact OG-O 3.02Å |
| 342 | L | 88.5 | Confident | 81.6 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 139.2 | 170.9 | -67.9 | -179.8 | 0 | 0 | 0 | 111.3 | P87 V344 Q516 Y518 | P87-L342 WeakPolarHBondContact O-CG 3.44Å; L342-V344 VanDerWaalsContact C-N 3.31Å; L342-V344 PolarHBondContact O-N 3.37Å; L342-Q516 WeakPolarHBondContact CB-O 3.22Å; L342-Y518 HydrophobicContact CD1-CD2 3.69Å; L342-Y518 HydrophobicContact CD1-CE2 3.62Å |
| 343 | P | 86.8 | Confident | 80.7 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 14% | 0.143 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -72 | -22.4 | -169.4 | 26.9 | -33.9 | 0 | 0 | 0 | 113.5 | L367 P370 Q516 | P343-L367 VanDerWaalsContact CB-O 3.27Å; P343-L367 WeakPolarHBondContact CB-O 3.21Å; P343-L367 WeakPolarHBondContact O-CB 3.39Å; P343-L367 PolarHBondContact O-N 3.49Å; P343-P370 HydrophobicContact CB-CB 4.18Å; P343-P370 HydrophobicContact CB-CG 4.09Å; P343-Q516 WeakPolarHBondContact CD-O 3.35Å; P343-Q516 VanDerWaalsContact CD-OE1 3.31Å; P343-Q516 HydrophobicContact CG-CB 4.01Å; P343-Q516 HydrophobicContact CG-CG 4.48Å |
| 344 | V | 91.3 | Very high | 80.2 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.7 | -176.3 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | L342 F346 Y364 Q365 V366 Y507 Q516 G517 | L342-V344 VanDerWaalsContact C-N 3.31Å; L342-V344 PolarHBondContact O-N 3.37Å; V344-F346 HydrophobicContact CG1-CE2 4.49Å; V344-Y364 HydrophobicContact CG1-CD2 3.85Å; V344-Y364 HydrophobicContact CG1-CG 4.3Å; V344-Q365 VanDerWaalsContact CA-O 3.32Å; V344-Q365 WeakPolarHBondContact CA-O 3.47Å; V344-V366 HydrophobicContact CG2-CG2 4.27Å; V344-Y507 HydrophobicContact CB-CD1 4.48Å; V344-Y507 HydrophobicContact CB-CD2 4.3Å; V344-Y507 HydrophobicContact CB-CG 4.06Å; V344-Y507 HydrophobicContact CG1-CD2 3.71Å; V344-Y507 HydrophobicContact CG1-CE2 4.33Å; V344-Y507 HydrophobicContact CG1-CG 3.91Å; V344-Y507 HydrophobicContact CG2-CD1 3.73Å; V344-Y507 HydrophobicContact CG2-CD2 3.99Å; V344-Y507 HydrophobicContact CG2-CE1 3.93Å; V344-Y507 HydrophobicContact CG2-CE2 4.16Å; V344-Y507 HydrophobicContact CG2-CG 3.73Å; V344-Q516 WeakPolarHBondContact CA-O 3.49Å; V344-Q516 WeakPolarHBondContact CB-O 3.34Å; V344-Q516 HydrophobicContact CG2-CB 4.1Å; V344-Q516 PolarHBondContact N-O 3.14Å; V344-G517 WeakPolarHBondContact O-CA 3.17Å |
| 345 | K | 91.1 | Very high | 80 | Confident | 123 Ų | 123 | 37.1 Ų | 37.1 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.3 | 173.5 | -177.1 | -176.9 | 177.1 | -175.7 | 0 | 110.5 | Y364 Q365 | K345-Y364 CarbonylContact O-C 3.56Å; K345-Y364 VanDerWaalsContact O-CA 3.27Å; K345-Y364 WeakPolarHBondContact O-CA 3.29Å; K345-Y364 WeakPolarHBondContact O-CB 3.46Å; K345-Q365 PolarHBondContact N-O 3.38Å; K345-Q365 PolarHBondContact O-N 2.58Å |
| 346 | F | 92.3 | Very high | 80.1 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 145.4 | 170.5 | -67.9 | -83.3 | 0 | 0 | 0 | 111.7 | V344 I362 I435 L505 Y518 S519 | V344-F346 HydrophobicContact CG1-CE2 4.49Å; F346-I362 HydrophobicContact CD1-CG2 3.89Å; F346-I362 HydrophobicContact CE1-CG2 3.92Å; F346-I435 HydrophobicContact CE1-CD1 4.16Å; F346-I435 HydrophobicContact CE1-CG2 3.94Å; F346-I435 HydrophobicContact CZ-CG2 3.95Å; F346-L505 HydrophobicContact CD1-CB 4.2Å; F346-L505 HydrophobicContact CD1-CD1 3.71Å; F346-L505 HydrophobicContact CE1-CB 3.71Å; F346-L505 HydrophobicContact CE1-CD1 3.67Å; F346-L505 HydrophobicContact CE1-CG 4.35Å; F346-L505 HydrophobicContact CE2-CB 4.05Å; F346-L505 HydrophobicContact CZ-CB 3.61Å; F346-L505 HydrophobicContact CZ-CD1 4.44Å; F346-Y518 VanDerWaalsContact CD2-C 3.45Å; F346-S519 VanDerWaalsContact CD2-N 3.31Å |
| 347 | I | 90.5 | Very high | 80.5 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -35.9 | 179.6 | -62.9 | 135.8 | 0 | 0 | 0 | 111.3 | D350 S363 Q365 F485 | I347-D350 WeakPolarHBondContact O-CB 3.21Å; I347-S363 PolarHBondContact N-O 3.04Å; I347-Q365 HydrophobicContact CD1-CB 4.43Å; I347-Q365 HydrophobicContact CD1-CG 3.88Å; I347-F485 HydrophobicContact CD1-CD1 3.13Å; I347-F485 HydrophobicContact CD1-CE1 3.17Å; I347-F485 HydrophobicContact CD1-CG 4.44Å; I347-F485 HydrophobicContact CG1-CD1 4.44Å; I347-F485 HydrophobicContact CG1-CE1 4.14Å |
| 348 | E | 86.8 | Confident | 81.2 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.7 | 165.3 | -63.7 | -67.1 | 166.4 | 0 | 0 | 107.2 | K352 Y354 S363 | E348-K352 IonicContact OE1-NZ 3.57Å; E348-K352 PolarHBondContact OE1-NZ 2.74Å; E348-K352 WeakPolarHBondContact OE2-CD 3.27Å; E348-K352 WeakPolarHBondContact OE2-CE 3.08Å; E348-K352 IonicContact OE2-NZ 2.75Å; E348-K352 PolarHBondContact OE2-NZ 3.49Å; E348-Y354 PolarHBondContact OE2-OH 3.04Å; E348-Y354 VanDerWaalsContact OE2-OH 3.12Å; E348-S363 PolarHBondContact N-O 3.38Å; E348-S363 VanDerWaalsContact N-O 3.13Å; E348-S363 PolarHBondContact O-N 2.93Å |
| 349 | P | 80.4 | Confident | 82 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | cis | -83.7 | -4 | 11.5 | 31.6 | -36.7 | 0 | 0 | 0 | 116.6 | G351 K352 Y354 L360 L505 F522 | P349-G351 PolarHBondContact O-N 3.49Å; P349-G351 VanDerWaalsContact O-N 3.16Å; P349-K352 WeakPolarHBondContact O-CB 3.39Å; P349-K352 VanDerWaalsContact O-CG 3.25Å; P349-K352 WeakPolarHBondContact O-CG 3.3Å; P349-K352 PolarHBondContact O-N 2.68Å; P349-Y354 HydrophobicContact CB-CD2 3.74Å; P349-Y354 HydrophobicContact CB-CE2 3.14Å; P349-L360 HydrophobicContact CB-CD1 4.01Å; P349-L360 HydrophobicContact CG-CD1 4.25Å; P349-L505 HydrophobicContact CG-CD1 4.38Å; P349-F522 HydrophobicContact CB-CB 4.17Å; P349-F522 HydrophobicContact CB-CD1 4.36Å; P349-F522 HydrophobicContact CB-CD2 4.02Å; P349-F522 HydrophobicContact CB-CE2 4.48Å; P349-F522 HydrophobicContact CB-CG 3.94Å; P349-F522 HydrophobicContact CG-CB 3.92Å; P349-F522 HydrophobicContact CG-CD1 3.29Å; P349-F522 HydrophobicContact CG-CD2 3.65Å; P349-F522 HydrophobicContact CG-CE1 3.55Å; P349-F522 HydrophobicContact CG-CE2 3.87Å; P349-F522 HydrophobicContact CG-CG 3.34Å; P349-F522 HydrophobicContact CG-CZ 3.8Å |
| 350 | D | 72 | Confident | 82.5 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 24.1 | 68.4 | -177.6 | -161.8 | 29.5 | 0 | 0 | 0 | 115.9 | I347 K352 L520 | I347-D350 WeakPolarHBondContact O-CB 3.21Å; D350-K352 PolarHBondContact O-N 3.21Å; D350-L520 VanDerWaalsContact OD1-CD1 3.3Å; D350-L520 WeakPolarHBondContact OD1-CD1 3.31Å |
| 351 | G | 71.3 | Confident | 83.1 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | P349 P521 | P349-G351 PolarHBondContact O-N 3.49Å; P349-G351 VanDerWaalsContact O-N 3.16Å; G351-P521 WeakPolarHBondContact CA-O 3.4Å |
| 352 | K | 76.7 | Confident | 83.5 | Confident | 105 Ų | 105 | 45.2 Ų | 45.2 | 46% | 0.457 | 24% | 0.242 | S | C | . | . | trans | -75.6 | 172.8 | 178.6 | -62 | 175.9 | -171.6 | 171.4 | 0 | 112.1 | E348 P349 D350 Y354 F522 K523 | E348-K352 IonicContact OE1-NZ 3.57Å; E348-K352 PolarHBondContact OE1-NZ 2.74Å; E348-K352 WeakPolarHBondContact OE2-CD 3.27Å; E348-K352 WeakPolarHBondContact OE2-CE 3.08Å; E348-K352 IonicContact OE2-NZ 2.75Å; E348-K352 PolarHBondContact OE2-NZ 3.49Å; P349-K352 WeakPolarHBondContact O-CB 3.39Å; P349-K352 VanDerWaalsContact O-CG 3.25Å; P349-K352 WeakPolarHBondContact O-CG 3.3Å; P349-K352 PolarHBondContact O-N 2.68Å; D350-K352 PolarHBondContact O-N 3.21Å; K352-Y354 HydrophobicContact CB-CD2 4.39Å; K352-Y354 HydrophobicContact CB-CE2 3.86Å; K352-F522 VanDerWaalsContact O-CB 3.29Å; K352-F522 WeakPolarHBondContact O-CB 3.35Å; K352-K523 PolarHBondContact O-N 3.27Å | ||
| 353 | A | 76.2 | Confident | 83.6 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 31% | 0.306 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K523 R525 | A353-K523 CarbonylContact C-O 3.43Å; A353-K523 VanDerWaalsContact CA-O 3.28Å; A353-K523 WeakPolarHBondContact CA-O 3.32Å; A353-R525 HydrophobicContact CB-CG 3.75Å |
| 354 | Y | 78.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 143.5 | -173.9 | -80.7 | -102.1 | 0 | 0 | 0 | 110.4 | E348 P349 K352 L360 K523 I524 R525 | E348-Y354 PolarHBondContact OE2-OH 3.04Å; E348-Y354 VanDerWaalsContact OE2-OH 3.12Å; P349-Y354 HydrophobicContact CB-CD2 3.74Å; P349-Y354 HydrophobicContact CB-CE2 3.14Å; K352-Y354 HydrophobicContact CB-CD2 4.39Å; K352-Y354 HydrophobicContact CB-CE2 3.86Å; Y354-L360 HydrophobicContact CD1-CD1 3.54Å; Y354-L360 HydrophobicContact CD2-CD1 3.77Å; Y354-L360 HydrophobicContact CE1-CD1 3.73Å; Y354-L360 HydrophobicContact CE2-CD1 3.97Å; Y354-L360 HydrophobicContact CG-CD1 3.56Å; Y354-K523 PolarHBondContact N-O 2.81Å; Y354-I524 CarbonylContact O-C 3.6Å; Y354-I524 WeakPolarHBondContact O-CA 3.01Å; Y354-R525 PolarHBondContact O-N 3.5Å |
| 355 | S | 80.1 | Confident | 83.9 | Confident | 22 Ų | 22 | 44.7 Ų | 44.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 136.9 | 176 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | N357 T358 | S355-N357 WeakPolarHBondContact CB-OD1 3.43Å; S355-N357 PolarHBondContact O-N 2.79Å; S355-N357 VanDerWaalsContact O-N 3.1Å; S355-N357 PolarHBondContact OG-OD1 3.39Å; S355-T358 PolarHBondContact O-N 3.11Å |
| 356 | F | 77.5 | Confident | 83.7 | Confident | 55 Ų | 55 | 41.8 Ų | 41.8 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.7 | 178.8 | 73.2 | -92 | 0 | 0 | 0 | 113.5 | K496 I524 R525 | F356-K496 HydrophobicContact CD2-CG 4.26Å; F356-I524 HydrophobicContact CB-CG2 3.64Å; F356-R525 WeakPolarHBondContact CD1-O 3.37Å; F356-R525 PolarHBondContact N-O 2.78Å |
| 357 | N | 81.2 | Confident | 83.2 | Confident | 96 Ų | 96 | 44.2 Ų | 44.2 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.1 | 179.6 | 70.9 | -6.7 | 0 | 0 | 0 | 113.7 | S355 | S355-N357 WeakPolarHBondContact CB-OD1 3.43Å; S355-N357 PolarHBondContact O-N 2.79Å; S355-N357 VanDerWaalsContact O-N 3.1Å; S355-N357 PolarHBondContact OG-OD1 3.39Å |
| 358 | T | 83.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 49.2 Ų | 49.2 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -118.5 | 144.1 | 178.5 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | S355 L360 | S355-T358 PolarHBondContact O-N 3.11Å; T358-L360 PolarHBondContact O-N 3.47Å |
| 359 | N | 85.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | trans | -64.7 | 139.9 | 178.3 | -50.4 | -48.3 | 0 | 0 | 0 | 109.7 | E361 R489 I490 E491 S492 | N359-E361 PolarHBondContact O-N 2.85Å; N359-R489 HydrophobicContact CB-CG 3.91Å; N359-R489 VanDerWaalsContact CG-NE 3.31Å; N359-R489 VanDerWaalsContact CG-NH2 3.33Å; N359-R489 PolarHBondContact ND2-NE 2.67Å; N359-R489 PolarHBondContact ND2-NH1 3.09Å; N359-R489 PolarHBondContact ND2-NH2 3.46Å; N359-I490 WeakPolarHBondContact CA-O 3.42Å; N359-E491 PolarHBondContact OD1-OE2 3.45Å; N359-S492 WeakPolarHBondContact OD1-CB 3.34Å; N359-S492 PolarHBondContact OD1-N 3.41Å; N359-S492 PolarHBondContact OD1-OG 3.15Å | ||
| 360 | L | 86.1 | Confident | 81 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 104.2 | 174.4 | 175.6 | 65.5 | 0 | 0 | 0 | 108.1 | P349 Y354 T358 I362 R489 I490 L495 L505 F522 | P349-L360 HydrophobicContact CB-CD1 4.01Å; P349-L360 HydrophobicContact CG-CD1 4.25Å; Y354-L360 HydrophobicContact CD1-CD1 3.54Å; Y354-L360 HydrophobicContact CD2-CD1 3.77Å; Y354-L360 HydrophobicContact CE1-CD1 3.73Å; Y354-L360 HydrophobicContact CE2-CD1 3.97Å; Y354-L360 HydrophobicContact CG-CD1 3.56Å; T358-L360 PolarHBondContact O-N 3.47Å; L360-I362 HydrophobicContact CD2-CG1 4.41Å; L360-I362 HydrophobicContact CG-CG1 4.12Å; L360-R489 WeakPolarHBondContact O-CA 3.39Å; L360-I490 HydrophobicContact CB-CB 4.1Å; L360-I490 HydrophobicContact CB-CG1 4.37Å; L360-I490 HydrophobicContact CD2-CD1 3.92Å; L360-I490 HydrophobicContact CD2-CG1 4.11Å; L360-I490 PolarHBondContact N-O 3.16Å; L360-I490 PolarHBondContact O-N 3.03Å; L360-L495 HydrophobicContact CB-CD1 3.79Å; L360-L505 HydrophobicContact CD2-CD2 4.42Å; L360-F522 HydrophobicContact CD1-CE2 4.05Å; L360-F522 HydrophobicContact CD2-CE2 3.67Å; L360-F522 HydrophobicContact CD2-CZ 3.65Å |
| 361 | E | 87.8 | Confident | 81.1 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.1 | 171.6 | -60.9 | -61.7 | 151.3 | 0 | 0 | 109.5 | N359 R489 | N359-E361 PolarHBondContact O-N 2.85Å; E361-R489 WeakPolarHBondContact OE1-CD 3.41Å |
| 362 | I | 90.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.9 | -178.5 | -57.6 | 171.2 | 0 | 0 | 0 | 107.6 | F346 L360 Y364 I435 V453 K487 A488 I490 L505 | F346-I362 HydrophobicContact CD1-CG2 3.89Å; F346-I362 HydrophobicContact CE1-CG2 3.92Å; L360-I362 HydrophobicContact CD2-CG1 4.41Å; L360-I362 HydrophobicContact CG-CG1 4.12Å; I362-Y364 HydrophobicContact CG2-CD1 4.2Å; I362-I435 HydrophobicContact CD1-CG2 4.27Å; I362-I435 HydrophobicContact CG2-CD1 4.15Å; I362-V453 HydrophobicContact CD1-CG2 4.19Å; I362-K487 VanDerWaalsContact O-CA 3.29Å; I362-K487 WeakPolarHBondContact O-CA 3.2Å; I362-A488 WeakPolarHBondContact CA-O 3.43Å; I362-A488 HydrophobicContact CB-CB 4.2Å; I362-A488 WeakPolarHBondContact CB-O 3.23Å; I362-A488 PolarHBondContact N-O 3.1Å; I362-A488 PolarHBondContact O-N 2.87Å; I362-I490 HydrophobicContact CD1-CD1 4.02Å; I362-I490 HydrophobicContact CD1-CG1 3.71Å; I362-L505 HydrophobicContact CB-CD1 4.32Å; I362-L505 HydrophobicContact CD1-CD1 3.73Å; I362-L505 HydrophobicContact CD1-CD2 3.97Å; I362-L505 HydrophobicContact CG1-CD1 3.77Å; I362-L505 HydrophobicContact CG2-CD1 3.62Å |
| 363 | S | 91.1 | Very high | 81 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.5 | 172 | -65 | 0 | 0 | 0 | 0 | 109.4 | I347 E348 Y486 | I347-S363 PolarHBondContact N-O 3.04Å; E348-S363 PolarHBondContact N-O 3.38Å; E348-S363 VanDerWaalsContact N-O 3.13Å; E348-S363 PolarHBondContact O-N 2.93Å; S363-Y486 VanDerWaalsContact CA-O 3.31Å; S363-Y486 WeakPolarHBondContact CA-O 3.42Å |
| 364 | Y | 92.4 | Very high | 81 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162 | -178.9 | 63.2 | -83.5 | 0 | 0 | 0 | 112.1 | V344 K345 I362 V366 I435 A455 S456 Y486 A488 Y507 | V344-Y364 HydrophobicContact CG1-CD2 3.85Å; V344-Y364 HydrophobicContact CG1-CG 4.3Å; K345-Y364 CarbonylContact O-C 3.56Å; K345-Y364 VanDerWaalsContact O-CA 3.27Å; K345-Y364 WeakPolarHBondContact O-CA 3.29Å; K345-Y364 WeakPolarHBondContact O-CB 3.46Å; I362-Y364 HydrophobicContact CG2-CD1 4.2Å; Y364-V366 HydrophobicContact CD2-CG2 4.26Å; Y364-V366 HydrophobicContact CE2-CG2 4.12Å; Y364-I435 HydrophobicContact CD1-CD1 3.87Å; Y364-I435 HydrophobicContact CE1-CD1 3.54Å; Y364-A455 VanDerWaalsContact OH-C 3.31Å; Y364-A455 WeakPolarHBondContact OH-CB 3.29Å; Y364-S456 PolarHBondContact OH-N 3.33Å; Y364-S456 PolarHBondContact OH-O 3.21Å; Y364-Y486 HydrophobicContact CD2-CD2 4.15Å; Y364-Y486 HydrophobicContact CD2-CG 4.35Å; Y364-Y486 VanDerWaalsContact CE2-CB 3.43Å; Y364-Y486 AromaticContact CE2-CD2 3.9Å; Y364-Y486 HydrophobicContact CE2-CD2 3.9Å; Y364-Y486 AromaticContact CE2-CG 3.77Å; Y364-Y486 HydrophobicContact CE2-CG 3.77Å; Y364-Y486 AromaticContact CZ-CG 3.99Å; Y364-Y486 PolarHBondContact N-O 3.23Å; Y364-Y486 PolarHBondContact O-N 3.46Å; Y364-A488 HydrophobicContact CE1-CB 4.28Å; Y364-Y507 HydrophobicContact CD2-CD2 4.34Å; Y364-Y507 HydrophobicContact CD2-CE2 4.09Å; Y364-Y507 HydrophobicContact CE2-CD2 4.16Å; Y364-Y507 AromaticContact CE2-CE2 3.51Å; Y364-Y507 HydrophobicContact CE2-CE2 3.51Å; Y364-Y507 AromaticContact CZ-CE2 3.92Å |
| 365 | Q | 91 | Very high | 80.7 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.2 | 173.2 | -84.8 | 172.8 | -13.5 | 0 | 0 | 109.7 | V344 K345 I347 Q483 E484 F485 | V344-Q365 VanDerWaalsContact CA-O 3.32Å; V344-Q365 WeakPolarHBondContact CA-O 3.47Å; K345-Q365 PolarHBondContact N-O 3.38Å; K345-Q365 PolarHBondContact O-N 2.58Å; I347-Q365 HydrophobicContact CD1-CB 4.43Å; I347-Q365 HydrophobicContact CD1-CG 3.88Å; Q365-Q483 VanDerWaalsContact NE2-CD 3.32Å; Q365-E484 WeakPolarHBondContact CG-O 3.5Å; Q365-F485 VanDerWaalsContact CD-CE1 3.44Å; Q365-F485 HydrophobicContact CG-CD1 3.55Å; Q365-F485 HydrophobicContact CG-CE1 3.72Å; Q365-F485 HydrophobicContact CG-CG 4.46Å |
| 366 | V | 87.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120 | 165.9 | -175 | 0 | 0 | 0 | 0 | 107.1 | V344 Y364 Y486 | V344-V366 HydrophobicContact CG2-CG2 4.27Å; Y364-V366 HydrophobicContact CD2-CG2 4.26Å; Y364-V366 HydrophobicContact CE2-CG2 4.12Å; V366-Y486 HydrophobicContact CB-CE2 4.07Å; V366-Y486 HydrophobicContact CG2-CD2 4.02Å; V366-Y486 HydrophobicContact CG2-CE2 3.74Å |
| 367 | L | 81.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 57 Ų | 57 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | trans | -99.5 | 111.9 | 178.5 | -57.5 | 175.6 | 0 | 0 | 0 | 108.2 | P343 P369 P370 | P343-L367 VanDerWaalsContact CB-O 3.27Å; P343-L367 WeakPolarHBondContact CB-O 3.21Å; P343-L367 WeakPolarHBondContact O-CB 3.39Å; P343-L367 PolarHBondContact O-N 3.49Å; L367-P369 CarbonylContact C-O 3.58Å; L367-P369 VanDerWaalsContact C-O 3.32Å; L367-P369 CarbonylContact O-C 3.58Å; L367-P369 VanDerWaalsContact O-C 3.28Å; L367-P370 WeakPolarHBondContact O-CA 3.46Å | ||
| 368 | D | 71.3 | Confident | 80.4 | Confident | 153 Ų | 153 | 52.4 Ų | 52.4 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -127.4 | 114.8 | 175 | -167.9 | 15.7 | 0 | 0 | 0 | 110.5 | ||
| 369 | P | 66.9 | Low | 80.1 | Confident | 95 Ų | 95 | 52 Ų | 52 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | S | Bend | cis | -65.5 | 161.1 | -3.7 | 31.2 | -36.1 | 0 | 0 | 0 | 111.4 | F340 L367 | F340-P369 HydrophobicContact CE1-CB 4.35Å; L367-P369 CarbonylContact C-O 3.58Å; L367-P369 VanDerWaalsContact C-O 3.32Å; L367-P369 CarbonylContact O-C 3.58Å; L367-P369 VanDerWaalsContact O-C 3.28Å |
| 370 | P | 73.8 | Confident | 80.1 | Confident | 27 Ų | 27 | 54 Ų | 54 | 18% | 0.175 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 161.9 | 176.8 | -13.7 | 21.4 | 0 | 0 | 0 | 112.4 | F340 S341 P343 L367 L372 | F340-P370 HydrophobicContact CB-CB 4.18Å; F340-P370 HydrophobicContact CB-CG 4.41Å; F340-P370 HydrophobicContact CD1-CB 4.16Å; F340-P370 HydrophobicContact CD1-CG 4.4Å; F340-P370 VanDerWaalsContact CD1-O 3.24Å; F340-P370 WeakPolarHBondContact CD1-O 3.35Å; S341-P370 WeakPolarHBondContact O-CB 3.21Å; P343-P370 HydrophobicContact CB-CB 4.18Å; P343-P370 HydrophobicContact CB-CG 4.09Å; L367-P370 WeakPolarHBondContact O-CA 3.46Å; P370-L372 PolarHBondContact O-N 3.45Å |
| 371 | G | 73.4 | Confident | 79.9 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 125.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S341 | S341-G371 WeakPolarHBondContact CB-O 3.42Å; S341-G371 PolarHBondContact N-O 3.24Å; S341-G371 PolarHBondContact OG-O 3.02Å |
| 372 | L | 74.9 | Confident | 79.6 | Confident | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 123.3 | 171.4 | -173 | 74.1 | 0 | 0 | 0 | 109.9 | F294 R338 F340 P370 | F294-L372 HydrophobicContact CD2-CD2 4.24Å; F294-L372 HydrophobicContact CE1-CD2 4.01Å; F294-L372 HydrophobicContact CE2-CD2 3.63Å; F294-L372 HydrophobicContact CZ-CD2 3.51Å; R338-L372 HydrophobicContact CB-CD1 4.17Å; R338-L372 HydrophobicContact CB-CD2 4.48Å; R338-L372 HydrophobicContact CB-CG 4.32Å; F340-L372 HydrophobicContact CD1-CD1 4.42Å; F340-L372 HydrophobicContact CD2-CD1 4.21Å; F340-L372 HydrophobicContact CE1-CB 4.43Å; F340-L372 HydrophobicContact CE1-CD1 4.43Å; F340-L372 HydrophobicContact CE2-CD1 4.24Å; F340-L372 HydrophobicContact CG-CD1 4.34Å; F340-L372 HydrophobicContact CZ-CD1 4.36Å; P370-L372 PolarHBondContact O-N 3.45Å |
| 373 | L | 71.5 | Confident | 79.1 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 136.6 | 179.4 | -66.6 | 172.9 | 0 | 0 | 0 | 111.3 | R338 W339 E377 | R338-L373 WeakPolarHBondContact CG-O 3.38Å; W339-L373 HydrophobicContact CD2-CD1 4.08Å; W339-L373 HydrophobicContact CE3-CD1 4.19Å; W339-L373 HydrophobicContact CH2-CD1 3.31Å; W339-L373 HydrophobicContact CZ2-CD1 3.25Å; W339-L373 HydrophobicContact CZ3-CD1 3.83Å; W339-L373 PolarHBondContact O-N 2.83Å; L373-E377 HydrophobicContact CB-CB 4.4Å; L373-E377 HydrophobicContact CD2-CB 4.16Å |
| 374 | R | 75.9 | Confident | 78.5 | Confident | 141 Ų | 141 | 58.6 Ų | 58.6 | 53% | 0.532 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 155 | 171.7 | -62.7 | 177.5 | -69.6 | 166.8 | -0.9 | 109.4 | S376 E377 T378 | R374-S376 PolarHBondContact O-N 3.31Å; R374-S376 VanDerWaalsContact O-N 3.1Å; R374-E377 WeakPolarHBondContact CB-OE2 3.15Å; R374-E377 IonicContact CZ-OE1 3.43Å; R374-E377 PolarHBondContact N-OE2 3.44Å; R374-E377 IonicContact NE-OE1 3.42Å; R374-E377 PolarHBondContact NE-OE1 3.3Å; R374-E377 IonicContact NE-OE2 2.73Å; R374-E377 PolarHBondContact NE-OE2 3.39Å; R374-E377 IonicContact NH2-OE1 3.13Å; R374-E377 PolarHBondContact NH2-OE1 3.34Å; R374-E377 WeakPolarHBondContact O-CA 3.33Å; R374-E377 WeakPolarHBondContact O-CB 3.28Å; R374-E377 PolarHBondContact O-N 2.85Å; R374-T378 PolarHBondContact O-N 2.65Å; R374-T378 PolarHBondContact O-OG1 3.19Å |
| 375 | L | 72.6 | Confident | 77.7 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 38% | 0.377 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.7 | -35.1 | 178.2 | -178.6 | 60.9 | 0 | 0 | 0 | 113 | P2 P337 E377 N379 | P2-L375 HydrophobicContact CG-CD1 4.12Å; P337-L375 HydrophobicContact CB-CD1 3.78Å; L375-E377 VanDerWaalsContact C-N 3.34Å; L375-N379 VanDerWaalsContact O-CB 3.22Å; L375-N379 WeakPolarHBondContact O-CB 3.37Å; L375-N379 VanDerWaalsContact O-CG 3.23Å; L375-N379 PolarHBondContact O-N 2.98Å; L375-N379 PolarHBondContact O-ND2 3.37Å |
| 376 | S | 79.4 | Confident | 77.1 | Confident | 75 Ų | 75 | 70 Ų | 70 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 175 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | R374 S380 | R374-S376 PolarHBondContact O-N 3.31Å; R374-S376 VanDerWaalsContact O-N 3.1Å; S376-S380 VanDerWaalsContact O-CB 3.26Å; S376-S380 WeakPolarHBondContact O-CB 3.49Å; S376-S380 PolarHBondContact O-N 3.22Å |
| 377 | E | 79.5 | Confident | 76.9 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 34% | 0.336 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.6 | -45 | 177.8 | -67.2 | 158.5 | 163.9 | 0 | 0 | 110.1 | L373 R374 L375 S380 L381 | L373-E377 HydrophobicContact CB-CB 4.4Å; L373-E377 HydrophobicContact CD2-CB 4.16Å; R374-E377 WeakPolarHBondContact CB-OE2 3.15Å; R374-E377 IonicContact CZ-OE1 3.43Å; R374-E377 PolarHBondContact N-OE2 3.44Å; R374-E377 IonicContact NE-OE1 3.42Å; R374-E377 PolarHBondContact NE-OE1 3.3Å; R374-E377 IonicContact NE-OE2 2.73Å; R374-E377 PolarHBondContact NE-OE2 3.39Å; R374-E377 IonicContact NH2-OE1 3.13Å; R374-E377 PolarHBondContact NH2-OE1 3.34Å; R374-E377 WeakPolarHBondContact O-CA 3.33Å; R374-E377 WeakPolarHBondContact O-CB 3.28Å; R374-E377 PolarHBondContact O-N 2.85Å; L375-E377 VanDerWaalsContact C-N 3.34Å; E377-S380 PolarHBondContact O-N 2.57Å; E377-L381 PolarHBondContact O-N 2.91Å |
| 378 | T | 72.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56 | -52 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | P2 P337 R374 S380 L381 L382 | P2-T378 HydrophobicContact CG-CG2 4.38Å; P337-T378 PolarHBondContact O-OG1 3.31Å; R374-T378 PolarHBondContact O-N 2.65Å; R374-T378 PolarHBondContact O-OG1 3.19Å; T378-S380 VanDerWaalsContact C-N 3.34Å; T378-S380 PolarHBondContact O-N 2.81Å; T378-L381 PolarHBondContact O-N 2.75Å; T378-L382 HydrophobicContact CG2-CD1 3.67Å; T378-L382 HydrophobicContact CG2-CG 4.4Å; T378-L382 WeakPolarHBondContact O-CB 3.19Å; T378-L382 VanDerWaalsContact O-CG 3.28Å; T378-L382 WeakPolarHBondContact O-CG 3.03Å; T378-L382 PolarHBondContact O-N 2.83Å |
| 379 | N | 78.6 | Confident | 77.7 | Confident | 65 Ų | 65 | 65.9 Ų | 65.9 | 35% | 0.348 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.4 | -76.6 | -16.6 | 0 | 0 | 0 | 111.3 | L375 L381 L382 S383 | L375-N379 VanDerWaalsContact O-CB 3.22Å; L375-N379 WeakPolarHBondContact O-CB 3.37Å; L375-N379 VanDerWaalsContact O-CG 3.23Å; L375-N379 PolarHBondContact O-N 2.98Å; L375-N379 PolarHBondContact O-ND2 3.37Å; N379-L381 VanDerWaalsContact C-N 3.31Å; N379-L381 PolarHBondContact O-N 2.76Å; N379-L382 PolarHBondContact O-N 3.47Å; N379-S383 WeakPolarHBondContact O-CB 3.46Å; N379-S383 PolarHBondContact O-N 2.84Å; N379-S383 PolarHBondContact O-OG 3.15Å |
| 380 | S | 83.2 | Confident | 78.4 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 177.2 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | S376 E377 T378 S384 | S376-S380 VanDerWaalsContact O-CB 3.26Å; S376-S380 WeakPolarHBondContact O-CB 3.49Å; S376-S380 PolarHBondContact O-N 3.22Å; E377-S380 PolarHBondContact O-N 2.57Å; T378-S380 VanDerWaalsContact C-N 3.34Å; T378-S380 PolarHBondContact O-N 2.81Å; S380-S384 WeakPolarHBondContact O-CA 3.49Å; S380-S384 WeakPolarHBondContact O-CB 3.11Å; S380-S384 PolarHBondContact O-N 3.39Å |
| 381 | L | 82.6 | Confident | 78.6 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 177.4 | -167.8 | 72.7 | 0 | 0 | 0 | 111.1 | N84 L85 A88 W339 E377 T378 N379 S384 | N84-L381 PolarHBondContact ND2-O 2.84Å; N84-L381 WeakPolarHBondContact O-CD1 3.15Å; L85-L381 HydrophobicContact CD2-CD2 4.41Å; L85-L381 HydrophobicContact CD2-CG 4.3Å; A88-L381 HydrophobicContact CB-CD2 3.84Å; W339-L381 HydrophobicContact CH2-CD2 4Å; W339-L381 HydrophobicContact CZ2-CD2 3.69Å; E377-L381 PolarHBondContact O-N 2.91Å; T378-L381 PolarHBondContact O-N 2.75Å; N379-L381 VanDerWaalsContact C-N 3.31Å; N379-L381 PolarHBondContact O-N 2.76Å; L381-S384 WeakPolarHBondContact O-CB 3.4Å; L381-S384 PolarHBondContact O-N 3.45Å; L381-S384 PolarHBondContact O-OG 3.38Å |
| 382 | L | 81.3 | Confident | 78.8 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -70.9 | -32.5 | -177.3 | -65.1 | 172.6 | 0 | 0 | 0 | 113.4 | P2 L4 L85 V335 T378 N379 | P2-L382 HydrophobicContact CB-CD1 3.34Å; P2-L382 HydrophobicContact CG-CD1 4.27Å; L4-L382 HydrophobicContact CD2-CD2 3.66Å; L4-L382 HydrophobicContact CG-CD2 4.39Å; L85-L382 HydrophobicContact CD2-CD2 3.98Å; V335-L382 HydrophobicContact CG2-CD1 3.76Å; T378-L382 HydrophobicContact CG2-CD1 3.67Å; T378-L382 HydrophobicContact CG2-CG 4.4Å; T378-L382 WeakPolarHBondContact O-CB 3.19Å; T378-L382 VanDerWaalsContact O-CG 3.28Å; T378-L382 WeakPolarHBondContact O-CG 3.03Å; T378-L382 PolarHBondContact O-N 2.83Å; N379-L382 PolarHBondContact O-N 3.47Å |
| 383 | S | 79.1 | Confident | 79 | Confident | 95 Ų | 95 | 70 Ų | 70 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.4 | 176.7 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | N379 | N379-S383 WeakPolarHBondContact O-CB 3.46Å; N379-S383 PolarHBondContact O-N 2.84Å; N379-S383 PolarHBondContact O-OG 3.15Å |
| 384 | S | 79.5 | Confident | 79.1 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -58.8 | 143.3 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | N84 S380 L381 Q386 | N84-S384 PolarHBondContact ND2-OG 3.46Å; S380-S384 WeakPolarHBondContact O-CA 3.49Å; S380-S384 WeakPolarHBondContact O-CB 3.11Å; S380-S384 PolarHBondContact O-N 3.39Å; L381-S384 WeakPolarHBondContact O-CB 3.4Å; L381-S384 PolarHBondContact O-N 3.45Å; L381-S384 PolarHBondContact O-OG 3.38Å; S384-Q386 PolarHBondContact O-N 3.39Å |
| 385 | K | 75 | Confident | 78.9 | Confident | 197 Ų | 197 | 70.8 Ų | 70.8 | 86% | 0.857 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 138.9 | 174.2 | -70.8 | -173.3 | 178 | -177.5 | 0 | 109 | Y387 | K385-Y387 PolarHBondContact O-N 3.1Š|
| 386 | Q | 80.1 | Confident | 78.8 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 29% | 0.29 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 124.5 | 172.6 | -174.4 | 171.5 | -0.4 | 0 | 0 | 109.7 | S34 H62 S384 V388 | S34-Q386 PolarHBondContact OG-OE1 3.05Å; S34-Q386 VanDerWaalsContact OG-OE1 3.06Å; H62-Q386 PolarHBondContact O-NE2 3.41Å; S384-Q386 PolarHBondContact O-N 3.39Å; Q386-V388 PolarHBondContact O-N 3.48Å |
| 387 | Y | 82.4 | Confident | 78.1 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 37% | 0.373 | 37% | 0.366 | S | S | . | . | trans | -77.1 | 112.3 | 173.8 | 179.5 | -84.5 | 0 | 0 | 0 | 108.7 | G63 R83 K385 P389 E441 | G63-Y387 WeakPolarHBondContact CA-O 3.16Å; R83-Y387 VanDerWaalsContact CD-CD1 3.42Å; K385-Y387 PolarHBondContact O-N 3.1Å; Y387-P389 HydrophobicContact CE1-CG 4.38Å; Y387-E441 HydrophobicContact CE1-CG 4.18Å; Y387-E441 PolarHBondContact OH-OE1 3Å | ||
| 388 | V | 84.8 | Confident | 77.3 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | trans | -94.1 | 122.3 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 108.7 | P61 Q386 | P61-V388 WeakPolarHBondContact O-CG1 3.46Å; Q386-V388 PolarHBondContact O-N 3.48Å | ||
| 389 | P | 85.5 | Confident | 76.7 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | trans | -61.3 | 145.6 | 176.1 | -24.3 | 35.9 | 0 | 0 | 0 | 112.1 | Y60 Y387 E441 | Y60-P389 HydrophobicContact CD2-CG 4.04Å; Y60-P389 HydrophobicContact CE1-CB 3.91Å; Y60-P389 HydrophobicContact CE1-CG 4.31Å; Y60-P389 HydrophobicContact CE2-CB 3.79Å; Y60-P389 HydrophobicContact CE2-CG 3.58Å; Y60-P389 VanDerWaalsContact CZ-CB 3.43Å; Y60-P389 WeakPolarHBondContact O-CD 3.49Å; Y60-P389 WeakPolarHBondContact O-CG 3.49Å; Y60-P389 WeakPolarHBondContact OH-CB 3.34Å; Y387-P389 HydrophobicContact CE1-CG 4.38Å; P389-E441 WeakPolarHBondContact CA-OE1 3.49Å; P389-E441 HydrophobicContact CB-CB 4.31Å | ||
| 390 | V | 80.5 | Confident | 75.3 | Confident | 133 Ų | 133 | 73.9 Ų | 73.9 | 81% | 0.806 | 40% | 0.403 | S | S | * | . | trans | -98.6 | -22.8 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | E441 | V390-E441 PolarHBondContact N-OE1 2.73Å; V390-E441 PolarHBondContact N-OE2 3.43Å | ||
| 391 | S | 78.8 | Confident | 73.7 | Confident | 44 Ų | 44 | 72.5 Ų | 72.5 | 31% | 0.308 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -74.8 | 149.8 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | Y60 E441 | Y60-S391 WeakPolarHBondContact CE1-O 3.34Å; Y60-S391 PolarHBondContact OH-OG 3.31Å; S391-E441 WeakPolarHBondContact CB-OE2 3.48Å; S391-E441 PolarHBondContact N-OE2 3.13Å; S391-E441 PolarHBondContact OG-OE2 3.42Å |
| 392 | D | 78.1 | Confident | 71.7 | Confident | 90 Ų | 90 | 74 Ų | 74 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | trans | -74.1 | 133.1 | 173.6 | -175.4 | -17.1 | 0 | 0 | 0 | 109.1 | A394 K395 L396 | D392-A394 PolarHBondContact O-N 3.15Å; D392-A394 PolarHBondContact OD1-N 2.93Å; D392-K395 HydrophobicContact CB-CB 4.44Å; D392-K395 HydrophobicContact CB-CD 4.13Å; D392-K395 HydrophobicContact CB-CG 4.09Å; D392-K395 WeakPolarHBondContact O-CB 3.04Å; D392-K395 PolarHBondContact O-N 3.47Å; D392-L396 PolarHBondContact O-N 3.47Å | ||
| 393 | F | 78.3 | Confident | 69.6 | Low | 18 Ų | 18 | 75.2 Ų | 75.2 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -54.2 | -37.8 | 177 | -175.3 | -114.9 | 0 | 0 | 0 | 112.1 | L56 E57 Y60 K395 L396 L397 A443 | L56-F393 HydrophobicContact CB-CE1 4.25Å; L56-F393 HydrophobicContact CB-CE2 3.86Å; L56-F393 HydrophobicContact CB-CZ 3.47Å; L56-F393 VanDerWaalsContact CB-CZ 3.47Å; L56-F393 HydrophobicContact CD1-CZ 4.21Å; L56-F393 HydrophobicContact CG-CZ 4.38Å; E57-F393 HydrophobicContact CB-CD1 4.49Å; E57-F393 HydrophobicContact CG-CD1 3.59Å; E57-F393 HydrophobicContact CG-CE1 3.56Å; Y60-F393 HydrophobicContact CD1-CB 3.67Å; Y60-F393 AromaticContact CD1-CD2 3.73Å; Y60-F393 HydrophobicContact CD1-CD2 3.73Å; Y60-F393 HydrophobicContact CD1-CG 4.12Å; Y60-F393 HydrophobicContact CD2-CD2 4.48Å; Y60-F393 HydrophobicContact CE1-CB 4.06Å; Y60-F393 HydrophobicContact CE1-CD2 4.33Å; Y60-F393 AromaticContact CG-CD2 3.75Å; Y60-F393 HydrophobicContact CG-CD2 3.75Å; F393-K395 VanDerWaalsContact C-N 3.27Å; F393-K395 PolarHBondContact O-N 3.07Å; F393-L396 HydrophobicContact CD2-CD2 4.49Å; F393-L396 WeakPolarHBondContact O-CB 3.36Å; F393-L396 PolarHBondContact O-N 3.43Å; F393-L397 HydrophobicContact CD1-CD1 3.94Å; F393-L397 HydrophobicContact CD1-CG 4.32Å; F393-L397 HydrophobicContact CE1-CD1 3.6Å; F393-L397 HydrophobicContact CE1-CD2 4.21Å; F393-L397 HydrophobicContact CE1-CG 3.93Å; F393-L397 HydrophobicContact CZ-CD1 4.22Å; F393-L397 HydrophobicContact CZ-CD2 3.99Å; F393-L397 HydrophobicContact CZ-CG 4.07Å; F393-L397 PolarHBondContact O-N 3.15Å; F393-A443 HydrophobicContact CD2-CB 4.15Å; F393-A443 HydrophobicContact CE2-CB 3.75Å |
| 394 | A | 73.8 | Confident | 67.6 | Low | 49 Ų | 49 | 78.8 Ų | 78.8 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D392 L396 L397 L398 | D392-A394 PolarHBondContact O-N 3.15Å; D392-A394 PolarHBondContact OD1-N 2.93Å; A394-L396 VanDerWaalsContact C-N 3.35Å; A394-L397 PolarHBondContact O-N 3.1Å; A394-L398 WeakPolarHBondContact O-CG 3.28Å; A394-L398 PolarHBondContact O-N 3.34Å |
| 395 | K | 71.4 | Confident | 65.1 | Low | 142 Ų | 142 | 81.1 Ų | 81.1 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.9 | -35.7 | 175.1 | -68.1 | 178.6 | -178.6 | 175.8 | 0 | 111.5 | D392 F393 L397 L398 L399 | D392-K395 HydrophobicContact CB-CB 4.44Å; D392-K395 HydrophobicContact CB-CD 4.13Å; D392-K395 HydrophobicContact CB-CG 4.09Å; D392-K395 WeakPolarHBondContact O-CB 3.04Å; D392-K395 PolarHBondContact O-N 3.47Å; F393-K395 VanDerWaalsContact C-N 3.27Å; F393-K395 PolarHBondContact O-N 3.07Å; K395-L397 VanDerWaalsContact C-N 3.34Å; K395-L398 PolarHBondContact O-N 2.99Å; K395-L399 PolarHBondContact O-N 3.21Å |
| 396 | L | 69.6 | Low | 62.7 | Low | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.042 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 175.3 | -167 | 83 | 0 | 0 | 0 | 111.9 | Y60 D392 F393 A394 L398 L399 P439 A443 | Y60-L396 HydrophobicContact CE2-CD2 4.32Å; D392-L396 PolarHBondContact O-N 3.47Å; F393-L396 HydrophobicContact CD2-CD2 4.49Å; F393-L396 WeakPolarHBondContact O-CB 3.36Å; F393-L396 PolarHBondContact O-N 3.43Å; A394-L396 VanDerWaalsContact C-N 3.35Å; L396-L398 VanDerWaalsContact C-N 3.34Å; L396-L399 HydrophobicContact CD1-CD1 4.04Å; L396-L399 WeakPolarHBondContact O-CB 3.23Å; L396-L399 PolarHBondContact O-N 2.98Å; L396-P439 HydrophobicContact CD1-CB 3.82Å; L396-P439 HydrophobicContact CD1-CG 4.13Å; L396-A443 HydrophobicContact CD2-CB 3.43Å; L396-A443 VanDerWaalsContact CD2-CB 3.43Å |
| 397 | L | 65.9 | Low | 60.2 | Low | 65 Ų | 65 | 82.8 Ų | 82.8 | 34% | 0.34 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 175.6 | -73.5 | 172.2 | 0 | 0 | 0 | 112.3 | F393 A394 K395 L399 N400 K447 | F393-L397 HydrophobicContact CD1-CD1 3.94Å; F393-L397 HydrophobicContact CD1-CG 4.32Å; F393-L397 HydrophobicContact CE1-CD1 3.6Å; F393-L397 HydrophobicContact CE1-CD2 4.21Å; F393-L397 HydrophobicContact CE1-CG 3.93Å; F393-L397 HydrophobicContact CZ-CD1 4.22Å; F393-L397 HydrophobicContact CZ-CD2 3.99Å; F393-L397 HydrophobicContact CZ-CG 4.07Å; F393-L397 PolarHBondContact O-N 3.15Å; A394-L397 PolarHBondContact O-N 3.1Å; K395-L397 VanDerWaalsContact C-N 3.34Å; L397-L399 PolarHBondContact O-N 3.35Å; L397-N400 PolarHBondContact O-OD1 3.31Å; L397-K447 PolarHBondContact O-NZ 2.81Å |
| 398 | L | 62.4 | Low | 57.4 | Low | 143 Ų | 143 | 85 Ų | 85 | 75% | 0.749 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.2 | -16.1 | 177 | -68.4 | 172.1 | 0 | 0 | 0 | 113.7 | A394 K395 L396 N400 | A394-L398 WeakPolarHBondContact O-CG 3.28Å; A394-L398 PolarHBondContact O-N 3.34Å; K395-L398 PolarHBondContact O-N 2.99Å; L396-L398 VanDerWaalsContact C-N 3.34Å; L398-N400 PolarHBondContact O-N 2.82Å |
| 399 | L | 59.3 | Low | 54.4 | Low | 26 Ų | 26 | 83.7 Ų | 83.7 | 14% | 0.136 | 50% | 0.498 | C | S | . | . | trans | -72.4 | 74.9 | 168.1 | -59.8 | 174.5 | 0 | 0 | 0 | 108.7 | K395 L396 L397 P439 I450 | K395-L399 PolarHBondContact O-N 3.21Å; L396-L399 HydrophobicContact CD1-CD1 4.04Å; L396-L399 WeakPolarHBondContact O-CB 3.23Å; L396-L399 PolarHBondContact O-N 2.98Å; L397-L399 PolarHBondContact O-N 3.35Å; L399-P439 HydrophobicContact CD1-CB 3.9Å; L399-P439 HydrophobicContact CD1-CG 3.57Å; L399-I450 HydrophobicContact CB-CD1 4.02Å; L399-I450 HydrophobicContact CD2-CD1 4.16Å | ||
| 400 | N | 49.8 | Very low | 51.4 | Low | 107 Ų | 107 | 92.8 Ų | 92.8 | 57% | 0.572 | 54% | 0.536 | S | S | * | . | trans | -84.1 | 149.8 | 166.9 | -76.4 | -18.4 | 0 | 0 | 0 | 109.5 | L397 L398 P402 | L397-N400 PolarHBondContact O-OD1 3.31Å; L398-N400 PolarHBondContact O-N 2.82Å; N400-P402 VanDerWaalsContact O-CD 3.24Å; N400-P402 WeakPolarHBondContact O-CD 3.48Å | ||
| 401 | T | 49.3 | Very low | 48.7 | Very low | 46 Ų | 46 | 92.4 Ų | 92.4 | 28% | 0.282 | 54% | 0.539 | S | S | . | . | trans | -55.9 | 119.7 | 168.9 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | G403 D448 | T401-G403 PolarHBondContact O-N 3.06Å; T401-D448 HydrophobicContact CG2-CB 4.4Å; T401-D448 WeakPolarHBondContact CG2-O 3.17Å | ||
| 402 | P | 41.1 | Very low | 46.2 | Very low | 68 Ų | 68 | 93.3 Ų | 93.3 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | 15.6 | 168.7 | -15.1 | 30.7 | 0 | 0 | 0 | 112.9 | N400 I450 | N400-P402 VanDerWaalsContact O-CD 3.24Å; N400-P402 WeakPolarHBondContact O-CD 3.48Å; P402-I450 VanDerWaalsContact CD-CG2 3.46Å; P402-I450 HydrophobicContact CG-CG2 3.98Å |
| 403 | G | 37.4 | Very low | 43.6 | Very low | 55 Ų | 55 | 95.3 Ų | 95.3 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -8.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | T401 | T401-G403 PolarHBondContact O-N 3.06Š|
| 404 | H | 36.6 | Very low | 41.1 | Very low | 169 Ų | 169 | 99.2 Ų | 99.2 | 78% | 0.782 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -90.2 | -4.5 | 176.1 | -94.3 | -44 | 0 | 0 | 0 | 114.6 | ||
| 405 | S | 26.1 | Very low | 38.9 | Very low | 92 Ų | 92 | 104.4 Ų | 104.4 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -96.5 | 119.5 | 176.3 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 406 | S | 25.8 | Very low | 36.9 | Very low | 108 Ų | 108 | 102.6 Ų | 102.6 | 76% | 0.755 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 82.5 | 122.6 | 173.4 | 84.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 407 | K | 26.8 | Very low | 35.1 | Very low | 187 Ų | 187 | 109.6 Ų | 109.6 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | cis | -147.7 | 109 | 30 | -66.1 | 171.2 | 179.9 | 172.1 | 0 | 110.4 | G409 | K407-G409 PolarHBondContact O-N 3.18Š| ||
| 408 | S | 23.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 98% | 0.979 | 68% | 0.683 | S | S | * | * | trans | -76.4 | 63.4 | 145.2 | 61.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 409 | G | 22.8 | Very low | 32.6 | Very low | 55 Ų | 55 | 113 Ų | 113 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | -118.9 | 106.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | K407 | K407-G409 PolarHBondContact O-N 3.18Š| ||
| 410 | K | 22.7 | Very low | 31.7 | Very low | 203 Ų | 203 | 114.1 Ų | 114.1 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | -50 | 151.2 | 167.4 | -71.1 | 174.3 | 173.4 | 177.1 | 0 | 110.9 | ||||
| 411 | S | 23.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 113 Ų | 113 | 87% | 0.874 | 69% | 0.693 | S | S | * | * | trans | 66.7 | 113.8 | 158.2 | 68.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 412 | G | 25.7 | Very low | 31.3 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | trans | 161.6 | 97.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T414 | G412-T414 VanDerWaalsContact C-N 3.27Å; G412-T414 PolarHBondContact O-N 2.89Å | ||
| 413 | S | 25.2 | Very low | 31.6 | Very low | 131 Ų | 131 | 117 Ų | 117 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | trans | -69.9 | 88.1 | 172.1 | 68 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 414 | T | 25 | Very low | 32.4 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 61% | 0.613 | 69% | 0.693 | S | S | * | * | trans | -119.6 | 137.1 | 159.5 | 47.2 | 0 | 0 | 0 | 0 | 106.7 | G412 D416 | G412-T414 VanDerWaalsContact C-N 3.27Å; G412-T414 PolarHBondContact O-N 2.89Å; T414-D416 PolarHBondContact O-N 2.95Å | ||
| 415 | N | 27.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 109.7 Ų | 109.7 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | trans | -60 | 76.6 | -176.6 | -65.6 | -21.7 | 0 | 0 | 0 | 111.7 | D417 | N415-D417 PolarHBondContact O-N 2.55Š| ||
| 416 | D | 29.2 | Very low | 35.1 | Very low | 104 Ų | 104 | 106 Ų | 106 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | trans | -77.4 | 31.7 | 178.1 | -80.9 | -12.2 | 0 | 0 | 0 | 112.1 | T414 D418 L419 | T414-D416 PolarHBondContact O-N 2.95Å; D416-D418 PolarHBondContact O-N 3.33Å; D416-D418 VanDerWaalsContact O-N 3.14Å; D416-L419 HydrophobicContact CB-CD1 4.44Å; D416-L419 PolarHBondContact O-N 2.9Å | ||
| 417 | D | 32 | Very low | 36.8 | Very low | 156 Ų | 156 | 102.1 Ų | 102.1 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 0.7 | 179.5 | -75.8 | -23.9 | 0 | 0 | 0 | 113.7 | N415 | N415-D417 PolarHBondContact O-N 2.55Š|
| 418 | D | 36.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 98.1 Ų | 98.1 | 88% | 0.877 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 0.9 | 178.7 | -103.8 | -16.8 | 0 | 0 | 0 | 114.5 | D416 G420 | D416-D418 PolarHBondContact O-N 3.33Å; D416-D418 VanDerWaalsContact O-N 3.14Å; D418-G420 VanDerWaalsContact C-N 3.32Å; D418-G420 PolarHBondContact O-N 3.31Å; D418-G420 VanDerWaalsContact O-N 3.12Å |
| 419 | L | 39.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 96.6 Ų | 96.6 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -84.9 | 82.3 | 167.7 | -76 | 164.9 | 0 | 0 | 0 | 108.2 | D416 | D416-L419 HydrophobicContact CB-CD1 4.44Å; D416-L419 PolarHBondContact O-N 2.9Å |
| 420 | G | 39.7 | Very low | 42.6 | Very low | 49 Ų | 49 | 95 Ų | 95 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | trans | -44.7 | 149.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D418 L422 | D418-G420 VanDerWaalsContact C-N 3.32Å; D418-G420 PolarHBondContact O-N 3.31Å; D418-G420 VanDerWaalsContact O-N 3.12Å; G420-L422 PolarHBondContact O-N 3.13Å | ||
| 421 | P | 43.8 | Very low | 45.1 | Very low | 84 Ų | 84 | 89.9 Ų | 89.9 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -48.9 | 139.3 | -167.8 | 19.6 | -33 | 0 | 0 | 0 | 111.9 | F432 Y452 | P421-F432 HydrophobicContact CG-CE1 3.7Å; P421-F432 HydrophobicContact CG-CZ 3.82Å; P421-Y452 WeakPolarHBondContact O-CE2 3.13Å; P421-Y452 PolarHBondContact O-OH 3.37Å |
| 422 | L | 46.2 | Very low | 47.7 | Very low | 151 Ų | 151 | 85.4 Ų | 85.4 | 79% | 0.791 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -47.2 | 150 | 174.2 | -72 | 166.5 | 0 | 0 | 0 | 111.3 | G420 Y452 | G420-L422 PolarHBondContact O-N 3.13Å; L422-Y452 WeakPolarHBondContact CA-OH 3.39Å |
| 423 | A | 47.7 | Very low | 50.6 | Low | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 129.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y452 | A423-Y452 HydrophobicContact CB-CD1 3.21Å; A423-Y452 HydrophobicContact CB-CD2 4.49Å; A423-Y452 HydrophobicContact CB-CE1 3.09Å; A423-Y452 HydrophobicContact CB-CE2 4.34Å; A423-Y452 HydrophobicContact CB-CG 4Å; A423-Y452 VanDerWaalsContact N-CE1 3.34Å; A423-Y452 PolarHBondContact N-OH 3.41Å |
| 424 | P | 54.5 | Low | 53.5 | Low | 19 Ų | 19 | 78.3 Ų | 78.3 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 138.6 | 159.6 | 25.5 | -22.6 | 0 | 0 | 0 | 107.5 | Q428 T430 | P424-Q428 HydrophobicContact CB-CB 4.47Å; P424-T430 HydrophobicContact CB-CG2 3.59Å; P424-T430 HydrophobicContact CG-CG2 3.22Å |
| 425 | P | 58 | Low | 56.5 | Low | 51 Ų | 51 | 73.6 Ų | 73.6 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 148.5 | 168.1 | -24.7 | 29.5 | 0 | 0 | 0 | 111.2 | L427 Q428 D448 | P425-L427 PolarHBondContact O-N 2.86Å; P425-Q428 HydrophobicContact CB-CG 3.89Å; P425-Q428 VanDerWaalsContact CD-OE1 3.26Å; P425-Q428 HydrophobicContact CG-CG 4.37Å; P425-Q428 WeakPolarHBondContact O-CB 3.36Å; P425-Q428 WeakPolarHBondContact O-CG 3.37Å; P425-Q428 PolarHBondContact O-N 2.83Å; P425-D448 WeakPolarHBondContact CA-OD1 3.28Å |
| 426 | T | 62.5 | Low | 59.3 | Low | 15 Ų | 15 | 66.2 Ų | 66.2 | 9% | 0.092 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 141.6 | -172.2 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | Q428 W434 Y438 L445 D448 M508 | T426-Q428 PolarHBondContact O-N 3.44Å; T426-Q428 VanDerWaalsContact O-N 3.15Å; T426-W434 HydrophobicContact CG2-CH2 4.34Å; T426-Y438 WeakPolarHBondContact CG2-OH 3.26Å; T426-Y438 PolarHBondContact OG1-OH 3.18Å; T426-L445 VanDerWaalsContact CG2-O 3.32Å; T426-L445 WeakPolarHBondContact CG2-O 3.35Å; T426-D448 PolarHBondContact N-OD1 2.95Å; T426-D448 PolarHBondContact OG1-OD1 2.83Å; T426-M508 HydrophobicContact CG2-CE 3.6Å |
| 427 | L | 60.4 | Low | 61.9 | Low | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 10.4 | -176.9 | -49.3 | -179.7 | 0 | 0 | 0 | 114.2 | K68 P425 E446 M508 H513 C514 | K68-L427 HydrophobicContact CD-CD1 4.34Å; P425-L427 PolarHBondContact O-N 2.86Å; L427-E446 HydrophobicContact CD1-CG 3.93Å; L427-M508 HydrophobicContact CD2-SD 4.4Å; L427-H513 WeakPolarHBondContact CD2-O 3.38Å; L427-C514 HydrophobicContact CD2-CB 4.45Å |
| 428 | Q | 65.6 | Low | 64.6 | Low | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | trans | -79 | 165 | 170.7 | -70.3 | -163.8 | -0.4 | 0 | 0 | 112.9 | P424 P425 T426 H513 | P424-Q428 HydrophobicContact CB-CB 4.47Å; P425-Q428 HydrophobicContact CB-CG 3.89Å; P425-Q428 VanDerWaalsContact CD-OE1 3.26Å; P425-Q428 HydrophobicContact CG-CG 4.37Å; P425-Q428 WeakPolarHBondContact O-CB 3.36Å; P425-Q428 WeakPolarHBondContact O-CG 3.37Å; P425-Q428 PolarHBondContact O-N 2.83Å; T426-Q428 PolarHBondContact O-N 3.44Å; T426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-H513 PolarHBondContact O-ND1 3.26Å | ||
| 429 | T | 60.8 | Low | 67 | Low | 107 Ų | 107 | 46.4 Ų | 46.4 | 66% | 0.656 | 28% | 0.281 | S | S | * | . | trans | -74.6 | 135.7 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 111.7 | H513 | T429-H513 WeakPolarHBondContact CA-CE1 3.38Å; T429-H513 VanDerWaalsContact CB-CE1 3.44Å; T429-H513 WeakPolarHBondContact CB-CE1 3.25Å; T429-H513 WeakPolarHBondContact CB-NE2 3.45Å; T429-H513 VanDerWaalsContact CG2-CD2 3.46Å; T429-H513 WeakPolarHBondContact CG2-CD2 3.25Å; T429-H513 WeakPolarHBondContact CG2-NE2 3.45Å | ||
| 430 | T | 68.8 | Low | 69.4 | Low | 23 Ų | 23 | 41.3 Ų | 41.3 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | trans | -136.6 | 156.9 | -176.4 | 67.8 | 0 | 0 | 0 | 0 | 109.3 | P424 F432 | P424-T430 HydrophobicContact CB-CG2 3.59Å; P424-T430 HydrophobicContact CG-CG2 3.22Å; T430-F432 VanDerWaalsContact C-N 3.29Å; T430-F432 WeakPolarHBondContact CB-O 3.22Å; T430-F432 PolarHBondContact OG1-O 3.17Å | ||
| 431 | S | 75.1 | Confident | 71.7 | Confident | 95 Ų | 95 | 40.2 Ų | 40.2 | 66% | 0.664 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -84.7 | -4.9 | 172.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | R510 | S431-R510 WeakPolarHBondContact O-CD 3.12Å; S431-R510 PolarHBondContact O-NH1 3.02Å |
| 432 | F | 78.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -146.6 | 151.2 | -174.4 | 58.9 | -89.3 | 0 | 0 | 0 | 113 | P421 T430 W434 Y454 R510 | P421-F432 HydrophobicContact CG-CE1 3.7Å; P421-F432 HydrophobicContact CG-CZ 3.82Å; T430-F432 VanDerWaalsContact C-N 3.29Å; T430-F432 WeakPolarHBondContact CB-O 3.22Å; T430-F432 PolarHBondContact OG1-O 3.17Å; F432-W434 HydrophobicContact CD2-CB 4.22Å; F432-W434 HydrophobicContact CE2-CB 4.03Å; F432-Y454 HydrophobicContact CB-CD2 3.87Å; F432-Y454 HydrophobicContact CB-CE2 3.5Å; F432-Y454 AromaticContact CD2-CD2 3.59Å; F432-Y454 HydrophobicContact CD2-CD2 3.59Å; F432-Y454 HydrophobicContact CD2-CE2 4.17Å; F432-Y454 HydrophobicContact CE2-CD2 4.33Å; F432-Y454 AromaticContact CG-CD2 3.83Å; F432-Y454 HydrophobicContact CG-CD2 3.83Å; F432-Y454 AromaticContact CG-CE2 3.98Å; F432-Y454 HydrophobicContact CG-CE2 3.98Å; F432-R510 VanDerWaalsContact C-CB 3.49Å |
| 433 | D | 85.7 | Confident | 76 | Confident | 35 Ų | 35 | 29.2 Ų | 29.2 | 19% | 0.187 | 18% | 0.175 | C | C | . | . | trans | -73.2 | 146.1 | 172.1 | -70.7 | 8.6 | 0 | 0 | 0 | 109.5 | A455 Y507 M508 R510 | D433-A455 VanDerWaalsContact C-CB 3.48Å; D433-A455 HydrophobicContact CB-CB 3.86Å; D433-A455 VanDerWaalsContact O-CB 3.23Å; D433-A455 WeakPolarHBondContact O-CB 2.85Å; D433-A455 PolarHBondContact O-N 3.29Å; D433-Y507 HydrophobicContact CB-CE1 3.92Å; D433-Y507 VanDerWaalsContact CB-OH 3.25Å; D433-Y507 WeakPolarHBondContact CB-OH 3.32Å; D433-Y507 VanDerWaalsContact CG-OH 3.31Å; D433-Y507 WeakPolarHBondContact OD2-CE1 3.41Å; D433-Y507 VanDerWaalsContact OD2-CZ 3.32Å; D433-Y507 PolarHBondContact OD2-OH 3.02Å; D433-M508 WeakPolarHBondContact CA-O 3.27Å; D433-R510 VanDerWaalsContact OD1-CB 3.26Å; D433-R510 WeakPolarHBondContact OD1-CB 3.42Å; D433-R510 VanDerWaalsContact OD1-CG 3.22Å; D433-R510 WeakPolarHBondContact OD1-CG 3.49Å; D433-R510 PolarHBondContact OD1-N 2.94Å | ||
| 434 | W | 85.7 | Confident | 78.1 | Confident | 12 Ų | 12 | 27.2 Ų | 27.2 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 157.7 | -176.1 | 59.4 | -80.3 | 0 | 0 | 0 | 111.9 | T426 F432 A436 Y452 V453 M508 | T426-W434 HydrophobicContact CG2-CH2 4.34Å; F432-W434 HydrophobicContact CD2-CB 4.22Å; F432-W434 HydrophobicContact CE2-CB 4.03Å; W434-A436 HydrophobicContact CE3-CB 3.85Å; W434-A436 HydrophobicContact CH2-CB 4.18Å; W434-A436 HydrophobicContact CZ3-CB 3.33Å; W434-Y452 HydrophobicContact CE3-CG 4.49Å; W434-V453 WeakPolarHBondContact CA-O 3.3Å; W434-M508 HydrophobicContact CD2-CB 3.75Å; W434-M508 HydrophobicContact CD2-CG 4.01Å; W434-M508 HydrophobicContact CE3-CB 4.47Å; W434-M508 HydrophobicContact CE3-CG 4.27Å; W434-M508 HydrophobicContact CG-CB 4.03Å; W434-M508 HydrophobicContact CH2-CG 3.89Å; W434-M508 HydrophobicContact CZ2-CB 3.81Å; W434-M508 HydrophobicContact CZ2-CG 3.55Å; W434-M508 HydrophobicContact CZ3-CG 4.25Å; W434-M508 PolarHBondContact N-O 2.59Å; W434-M508 PolarHBondContact O-N 2.78Å |
| 435 | I | 88.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 179.3 | -56 | 171.2 | 0 | 0 | 0 | 107.9 | F346 I362 Y364 Y452 V453 A455 A488 L505 V506 Y507 | F346-I435 HydrophobicContact CE1-CD1 4.16Å; F346-I435 HydrophobicContact CE1-CG2 3.94Å; F346-I435 HydrophobicContact CZ-CG2 3.95Å; I362-I435 HydrophobicContact CD1-CG2 4.27Å; I362-I435 HydrophobicContact CG2-CD1 4.15Å; Y364-I435 HydrophobicContact CD1-CD1 3.87Å; Y364-I435 HydrophobicContact CE1-CD1 3.54Å; I435-Y452 CarbonylContact O-C 3.52Å; I435-Y452 WeakPolarHBondContact O-CA 3.26Å; I435-V453 HydrophobicContact CB-CG2 3.99Å; I435-V453 PolarHBondContact N-O 3.49Å; I435-V453 PolarHBondContact O-N 3.39Å; I435-A455 HydrophobicContact CD1-CB 4.21Å; I435-A455 HydrophobicContact CG1-CB 3.9Å; I435-A488 HydrophobicContact CD1-CB 3.85Å; I435-L505 HydrophobicContact CG2-CB 3.87Å; I435-L505 HydrophobicContact CG2-CD1 4.34Å; I435-L505 HydrophobicContact CG2-CD2 4.07Å; I435-L505 HydrophobicContact CG2-CG 4.31Å; I435-V506 WeakPolarHBondContact CA-O 3.48Å; I435-Y507 HydrophobicContact CD1-CD2 4.36Å; I435-Y507 HydrophobicContact CG1-CD2 3.91Å; I435-Y507 HydrophobicContact CG1-CE2 4.47Å |
| 436 | A | 86.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 146.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W434 Y438 L505 V506 | W434-A436 HydrophobicContact CE3-CB 3.85Å; W434-A436 HydrophobicContact CH2-CB 4.18Å; W434-A436 HydrophobicContact CZ3-CB 3.33Å; A436-Y438 HydrophobicContact CB-CD2 3.62Å; A436-Y438 HydrophobicContact CB-CE2 3.29Å; A436-L505 CarbonylContact O-C 3.54Å; A436-L505 VanDerWaalsContact O-CA 3.28Å; A436-L505 WeakPolarHBondContact O-CA 3.48Å; A436-V506 HydrophobicContact CB-CB 4.39Å; A436-V506 PolarHBondContact N-O 3.07Å; A436-V506 PolarHBondContact O-N 3.07Å |
| 437 | L | 85.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 102.1 | 173 | -173.8 | 69.8 | 0 | 0 | 0 | 109.8 | T451 I490 L495 L498 F503 L505 F522 | L437-T451 HydrophobicContact CB-CG2 4.32Å; L437-T451 WeakPolarHBondContact CB-O 3.45Å; L437-T451 HydrophobicContact CD2-CG2 4.46Å; L437-T451 PolarHBondContact N-O 3.43Å; L437-I490 HydrophobicContact CB-CD1 4.17Å; L437-I490 HydrophobicContact CD1-CD1 4.49Å; L437-I490 HydrophobicContact CD2-CD1 4.42Å; L437-L495 HydrophobicContact CD2-CD2 3.86Å; L437-L498 HydrophobicContact CD2-CD1 3.7Å; L437-F503 HydrophobicContact CD1-CB 3.53Å; L437-F503 HydrophobicContact CD1-CD1 4.24Å; L437-F503 HydrophobicContact CD1-CG 3.97Å; L437-F503 HydrophobicContact CD2-CD1 4.23Å; L437-F503 HydrophobicContact CD2-CG 4.39Å; L437-F503 HydrophobicContact CG-CB 4.11Å; L437-F503 HydrophobicContact CG-CD1 3.85Å; L437-F503 HydrophobicContact CG-CG 4.07Å; L437-L505 HydrophobicContact CD1-CD2 3.75Å; L437-F522 HydrophobicContact CD1-CE1 4.13Å; L437-F522 HydrophobicContact CD1-CE2 4.32Å; L437-F522 HydrophobicContact CD1-CZ 3.44Å; L437-F522 VanDerWaalsContact CD1-CZ 3.44Å |
| 438 | Y | 88.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 144.9 | 177.6 | -79.6 | -112 | 0 | 0 | 0 | 110.2 | T426 A436 A440 F442 L445 Y449 F503 C504 V506 M508 | T426-Y438 WeakPolarHBondContact CG2-OH 3.26Å; T426-Y438 PolarHBondContact OG1-OH 3.18Å; A436-Y438 HydrophobicContact CB-CD2 3.62Å; A436-Y438 HydrophobicContact CB-CE2 3.29Å; Y438-A440 PolarHBondContact O-N 2.85Å; Y438-F442 HydrophobicContact CD1-CB 3.89Å; Y438-F442 AromaticContact CD1-CD1 3.97Å; Y438-F442 HydrophobicContact CD1-CD1 3.97Å; Y438-F442 AromaticContact CD1-CD2 3.67Å; Y438-F442 HydrophobicContact CD1-CD2 3.67Å; Y438-F442 HydrophobicContact CD1-CE1 4.39Å; Y438-F442 HydrophobicContact CD1-CE2 4.1Å; Y438-F442 AromaticContact CD1-CG 3.58Å; Y438-F442 HydrophobicContact CD1-CG 3.58Å; Y438-F442 HydrophobicContact CD1-CZ 4.44Å; Y438-F442 HydrophobicContact CE1-CD2 4.12Å; Y438-F442 HydrophobicContact CE1-CE2 4.37Å; Y438-F442 HydrophobicContact CE1-CG 4.46Å; Y438-F442 HydrophobicContact CG-CD1 4.3Å; Y438-F442 HydrophobicContact CG-CG 4.33Å; Y438-L445 HydrophobicContact CE1-CD1 4.14Å; Y438-L445 PolarHBondContact OH-O 3.41Å; Y438-Y449 AromaticContact CD1-CD2 3.09Å; Y438-Y449 HydrophobicContact CD1-CD2 3.09Å; Y438-Y449 AromaticContact CD1-CE2 3.3Å; Y438-Y449 HydrophobicContact CD1-CE2 3.3Å; Y438-Y449 HydrophobicContact CD1-CG 4.02Å; Y438-Y449 AromaticContact CE1-CD2 3.16Å; Y438-Y449 HydrophobicContact CE1-CD2 3.16Å; Y438-Y449 AromaticContact CE1-CE2 3.3Å; Y438-Y449 HydrophobicContact CE1-CE2 3.3Å; Y438-Y449 HydrophobicContact CE1-CG 4.37Å; Y438-Y449 AromaticContact CG-CD2 3.84Å; Y438-Y449 HydrophobicContact CG-CD2 3.84Å; Y438-Y449 HydrophobicContact CG-CE2 4.4Å; Y438-Y449 HydrophobicContact CG-CG 4.43Å; Y438-Y449 AromaticContact CZ-CD2 3.93Å; Y438-F503 CarbonylContact O-C 3.49Å; Y438-F503 WeakPolarHBondContact O-CA 3.33Å; Y438-F503 VanDerWaalsContact O-CB 3.28Å; Y438-F503 WeakPolarHBondContact O-CB 3.34Å; Y438-F503 WeakPolarHBondContact O-CD1 3.47Å; Y438-C504 PolarHBondContact N-O 3.26Å; Y438-C504 PolarHBondContact O-N 2.8Å; Y438-V506 HydrophobicContact CD2-CB 3.97Å; Y438-V506 HydrophobicContact CD2-CG2 3.44Å; Y438-V506 VanDerWaalsContact CD2-CG2 3.44Å; Y438-V506 HydrophobicContact CE2-CB 4.03Å; Y438-V506 HydrophobicContact CE2-CG2 3.88Å; Y438-V506 HydrophobicContact CG-CG2 3.89Å; Y438-M508 HydrophobicContact CE2-CE 4.3Å |
| 439 | P | 87.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 137.3 | 161.8 | -22.2 | 33 | 0 | 0 | 0 | 108.9 | L396 L399 E441 F442 Y449 | L396-P439 HydrophobicContact CD1-CB 3.82Å; L396-P439 HydrophobicContact CD1-CG 4.13Å; L399-P439 HydrophobicContact CD1-CB 3.9Å; L399-P439 HydrophobicContact CD1-CG 3.57Å; P439-E441 PolarHBondContact O-N 3.19Å; P439-F442 WeakPolarHBondContact O-CB 3.39Å; P439-F442 VanDerWaalsContact O-CD1 3.26Å; P439-F442 WeakPolarHBondContact O-CD1 3.26Å; P439-F442 PolarHBondContact O-N 2.69Å; P439-Y449 HydrophobicContact CG-CD1 3.48Å; P439-Y449 VanDerWaalsContact CG-CD1 3.48Å; P439-Y449 HydrophobicContact CG-CE1 3.86Å; P439-Y449 HydrophobicContact CG-CG 4.22Å |
| 440 | A | 88 | Confident | 82.4 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R83 Y438 S502 P521 | R83-A440 PolarHBondContact NH1-O 3.1Å; Y438-A440 PolarHBondContact O-N 2.85Å; A440-S502 PolarHBondContact N-O 3.38Å; A440-P521 HydrophobicContact CB-CB 3.76Å; A440-P521 HydrophobicContact CB-CG 4.11Å |
| 441 | E | 88.1 | Confident | 82.3 | Confident | 26 Ų | 26 | 19.2 Ų | 19.2 | 12% | 0.121 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 35.2 | 178.4 | -54.8 | -167.4 | 137.9 | 0 | 0 | 111.9 | Y60 R83 Y387 P389 V390 S391 P439 A443 | Y60-E441 WeakPolarHBondContact CE2-O 3.47Å; Y60-E441 WeakPolarHBondContact OH-CB 3.28Å; Y60-E441 PolarHBondContact OH-O 3.3Å; Y60-E441 VanDerWaalsContact OH-O 3.14Å; R83-E441 PolarHBondContact NH2-O 3.19Å; Y387-E441 HydrophobicContact CE1-CG 4.18Å; Y387-E441 PolarHBondContact OH-OE1 3Å; P389-E441 WeakPolarHBondContact CA-OE1 3.49Å; P389-E441 HydrophobicContact CB-CB 4.31Å; V390-E441 PolarHBondContact N-OE1 2.73Å; V390-E441 PolarHBondContact N-OE2 3.43Å; S391-E441 WeakPolarHBondContact CB-OE2 3.48Å; S391-E441 PolarHBondContact N-OE2 3.13Å; S391-E441 PolarHBondContact OG-OE2 3.42Å; P439-E441 PolarHBondContact O-N 3.19Å; E441-A443 PolarHBondContact O-N 3.07Å |
| 442 | F | 90.7 | Very high | 82.1 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | trans | -57.6 | 134.1 | 175.7 | 72 | -86.2 | 0 | 0 | 0 | 112 | V65 R83 L86 Y438 P439 L445 Y449 Y518 | V65-F442 HydrophobicContact CG1-CD2 3.89Å; V65-F442 HydrophobicContact CG1-CE2 3.49Å; V65-F442 VanDerWaalsContact CG1-CE2 3.49Å; V65-F442 HydrophobicContact CG1-CZ 4.34Å; R83-F442 VanDerWaalsContact CZ-O 3.31Å; R83-F442 PolarHBondContact NH1-O 3.21Å; R83-F442 PolarHBondContact NH2-O 3.22Å; L86-F442 HydrophobicContact CD1-CE1 4.04Å; L86-F442 HydrophobicContact CD1-CE2 4.35Å; L86-F442 HydrophobicContact CD1-CZ 3.53Å; Y438-F442 HydrophobicContact CD1-CB 3.89Å; Y438-F442 AromaticContact CD1-CD1 3.97Å; Y438-F442 HydrophobicContact CD1-CD1 3.97Å; Y438-F442 AromaticContact CD1-CD2 3.67Å; Y438-F442 HydrophobicContact CD1-CD2 3.67Å; Y438-F442 HydrophobicContact CD1-CE1 4.39Å; Y438-F442 HydrophobicContact CD1-CE2 4.1Å; Y438-F442 AromaticContact CD1-CG 3.58Å; Y438-F442 HydrophobicContact CD1-CG 3.58Å; Y438-F442 HydrophobicContact CD1-CZ 4.44Å; Y438-F442 HydrophobicContact CE1-CD2 4.12Å; Y438-F442 HydrophobicContact CE1-CE2 4.37Å; Y438-F442 HydrophobicContact CE1-CG 4.46Å; Y438-F442 HydrophobicContact CG-CD1 4.3Å; Y438-F442 HydrophobicContact CG-CG 4.33Å; P439-F442 WeakPolarHBondContact O-CB 3.39Å; P439-F442 VanDerWaalsContact O-CD1 3.26Å; P439-F442 WeakPolarHBondContact O-CD1 3.26Å; P439-F442 PolarHBondContact O-N 2.69Å; F442-L445 HydrophobicContact CE2-CB 4.19Å; F442-L445 HydrophobicContact CE2-CD1 3.89Å; F442-L445 HydrophobicContact CZ-CD1 4.27Å; F442-Y449 HydrophobicContact CB-CE1 4.17Å; F442-Y449 HydrophobicContact CB-CE2 3.91Å; F442-Y518 HydrophobicContact CZ-CE1 4.19Å | ||
| 443 | A | 91.1 | Very high | 81.6 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -90.8 | -15.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L56 Y60 V65 L66 F393 L396 E441 | L56-A443 HydrophobicContact CD2-CB 4.07Å; L56-A443 WeakPolarHBondContact CD2-O 3.43Å; Y60-A443 HydrophobicContact CD2-CB 3.31Å; Y60-A443 HydrophobicContact CE2-CB 3.88Å; Y60-A443 HydrophobicContact CG-CB 3.92Å; V65-A443 CarbonylContact C-O 3.57Å; V65-A443 VanDerWaalsContact CA-O 3.29Å; V65-A443 WeakPolarHBondContact CA-O 3.11Å; L66-A443 PolarHBondContact N-O 2.96Å; F393-A443 HydrophobicContact CD2-CB 4.15Å; F393-A443 HydrophobicContact CE2-CB 3.75Å; L396-A443 HydrophobicContact CD2-CB 3.43Å; L396-A443 VanDerWaalsContact CD2-CB 3.43Å; E441-A443 PolarHBondContact O-N 3.07Å |
| 444 | D | 91.6 | Very high | 80.8 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -146.8 | 111.6 | -162.5 | 173.1 | 4.4 | 0 | 0 | 0 | 107.8 | R52 L56 L66 E446 K447 Y449 | R52-D444 IonicContact CZ-OD2 3.47Å; R52-D444 IonicContact NH1-OD2 3.48Å; R52-D444 PolarHBondContact NH1-OD2 3.5Å; R52-D444 IonicContact NH2-OD1 3.54Å; R52-D444 PolarHBondContact NH2-OD1 3.37Å; R52-D444 IonicContact NH2-OD2 3.54Å; R52-D444 PolarHBondContact NH2-OD2 3.31Å; L56-D444 HydrophobicContact CD2-CB 4.16Å; L66-D444 HydrophobicContact CB-CB 4.46Å; D444-E446 VanDerWaalsContact C-N 3.3Å; D444-E446 PolarHBondContact OD1-N 3.44Å; D444-K447 HydrophobicContact CB-CB 4.19Å; D444-K447 PolarHBondContact OD1-N 3.5Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; D444-Y449 PolarHBondContact N-OH 2.96Å; D444-Y449 WeakPolarHBondContact O-CE2 3.49Å; D444-Y449 PolarHBondContact O-OH 2.89Å |
| 445 | L | 90.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -69.1 | -31.7 | -178.5 | -176.5 | 63.7 | 0 | 0 | 0 | 111.1 | V65 L66 I67 I92 T426 Y438 F442 K447 M508 P515 | V65-L445 HydrophobicContact CG1-CB 4.48Å; L66-L445 VanDerWaalsContact O-CB 3.28Å; L66-L445 WeakPolarHBondContact O-CB 3.3Å; L66-L445 PolarHBondContact O-N 2.73Å; I67-L445 HydrophobicContact CB-CD2 4.44Å; I67-L445 HydrophobicContact CG2-CD2 4.49Å; I92-L445 HydrophobicContact CD1-CD2 3.85Å; T426-L445 VanDerWaalsContact CG2-O 3.32Å; T426-L445 WeakPolarHBondContact CG2-O 3.35Å; Y438-L445 HydrophobicContact CE1-CD1 4.14Å; Y438-L445 PolarHBondContact OH-O 3.41Å; F442-L445 HydrophobicContact CE2-CB 4.19Å; F442-L445 HydrophobicContact CE2-CD1 3.89Å; F442-L445 HydrophobicContact CZ-CD1 4.27Å; L445-K447 VanDerWaalsContact C-N 3.33Å; L445-M508 HydrophobicContact CD1-CE 4.26Å; L445-P515 HydrophobicContact CD1-CG 4.01Å; L445-P515 HydrophobicContact CD2-CG 3.78Å; L445-P515 HydrophobicContact CG-CG 4.42Å |
| 446 | E | 86.8 | Confident | 79.1 | Confident | 34 Ų | 34 | 20.6 Ų | 20.6 | 16% | 0.159 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -79.7 | -15.2 | -175.7 | -64.3 | -173 | 134 | 0 | 0 | 113.3 | K68 S69 L427 D444 D448 | K68-E446 VanDerWaalsContact CD-OE1 3.3Å; K68-E446 WeakPolarHBondContact CD-OE1 3.34Å; K68-E446 WeakPolarHBondContact CE-OE1 3.43Å; K68-E446 IonicContact NZ-OE1 2.69Å; K68-E446 PolarHBondContact NZ-OE1 3.4Å; S69-E446 WeakPolarHBondContact CA-OE2 3.47Å; S69-E446 WeakPolarHBondContact CB-OE2 3.26Å; S69-E446 VanDerWaalsContact N-CD 3.26Å; S69-E446 PolarHBondContact N-OE1 3.01Å; S69-E446 PolarHBondContact N-OE2 3.47Å; S69-E446 PolarHBondContact OG-OE2 2.73Å; L427-E446 HydrophobicContact CD1-CG 3.93Å; D444-E446 VanDerWaalsContact C-N 3.3Å; D444-E446 PolarHBondContact OD1-N 3.44Å; E446-D448 PolarHBondContact O-N 3.46Å |
| 447 | K | 80.3 | Confident | 78 | Confident | 45 Ų | 45 | 24.2 Ų | 24.2 | 20% | 0.196 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -68.7 | 131.3 | 173.6 | -174.7 | 173.5 | -175.9 | -175.9 | 0 | 109.9 | L397 D444 L445 Y449 | L397-K447 PolarHBondContact O-NZ 2.81Å; D444-K447 HydrophobicContact CB-CB 4.19Å; D444-K447 PolarHBondContact OD1-N 3.5Å; D444-K447 WeakPolarHBondContact OD2-CB 3.41Å; L445-K447 VanDerWaalsContact C-N 3.33Å; K447-Y449 HydrophobicContact CB-CD2 4.43Å; K447-Y449 HydrophobicContact CB-CE2 3.76Å; K447-Y449 HydrophobicContact CD-CE1 3.99Å; K447-Y449 HydrophobicContact CG-CE1 4.37Å; K447-Y449 HydrophobicContact CG-CE2 4.27Å; K447-Y449 WeakPolarHBondContact O-CD2 3.01Å; K447-Y449 WeakPolarHBondContact O-CE2 3.34Å; K447-Y449 PolarHBondContact O-N 3.28Å |
| 448 | D | 68.3 | Low | 76.9 | Confident | 53 Ų | 53 | 29.9 Ų | 29.9 | 28% | 0.283 | 16% | 0.155 | S | C | . | . | trans | -71.4 | 110.8 | 170.8 | -63.8 | -30.6 | 0 | 0 | 0 | 109.4 | T401 P425 T426 E446 | T401-D448 HydrophobicContact CG2-CB 4.4Å; T401-D448 WeakPolarHBondContact CG2-O 3.17Å; P425-D448 WeakPolarHBondContact CA-OD1 3.28Å; T426-D448 PolarHBondContact N-OD1 2.95Å; T426-D448 PolarHBondContact OG1-OD1 2.83Å; E446-D448 PolarHBondContact O-N 3.46Å | ||
| 449 | Y | 65.3 | Low | 75.5 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 7% | 0.071 | 17% | 0.17 | C | C | . | . | trans | -95.5 | 177.4 | 173 | -60.7 | -89.7 | 0 | 0 | 0 | 112.2 | Y438 P439 F442 D444 K447 T451 | Y438-Y449 AromaticContact CD1-CD2 3.09Å; Y438-Y449 HydrophobicContact CD1-CD2 3.09Å; Y438-Y449 AromaticContact CD1-CE2 3.3Å; Y438-Y449 HydrophobicContact CD1-CE2 3.3Å; Y438-Y449 HydrophobicContact CD1-CG 4.02Å; Y438-Y449 AromaticContact CE1-CD2 3.16Å; Y438-Y449 HydrophobicContact CE1-CD2 3.16Å; Y438-Y449 AromaticContact CE1-CE2 3.3Å; Y438-Y449 HydrophobicContact CE1-CE2 3.3Å; Y438-Y449 HydrophobicContact CE1-CG 4.37Å; Y438-Y449 AromaticContact CG-CD2 3.84Å; Y438-Y449 HydrophobicContact CG-CD2 3.84Å; Y438-Y449 HydrophobicContact CG-CE2 4.4Å; Y438-Y449 HydrophobicContact CG-CG 4.43Å; Y438-Y449 AromaticContact CZ-CD2 3.93Å; P439-Y449 HydrophobicContact CG-CD1 3.48Å; P439-Y449 VanDerWaalsContact CG-CD1 3.48Å; P439-Y449 HydrophobicContact CG-CE1 3.86Å; P439-Y449 HydrophobicContact CG-CG 4.22Å; F442-Y449 HydrophobicContact CB-CE1 4.17Å; F442-Y449 HydrophobicContact CB-CE2 3.91Å; D444-Y449 PolarHBondContact N-OH 2.96Å; D444-Y449 WeakPolarHBondContact O-CE2 3.49Å; D444-Y449 PolarHBondContact O-OH 2.89Å; K447-Y449 HydrophobicContact CB-CD2 4.43Å; K447-Y449 HydrophobicContact CB-CE2 3.76Å; K447-Y449 HydrophobicContact CD-CE1 3.99Å; K447-Y449 HydrophobicContact CG-CE1 4.37Å; K447-Y449 HydrophobicContact CG-CE2 4.27Å; K447-Y449 WeakPolarHBondContact O-CD2 3.01Å; K447-Y449 WeakPolarHBondContact O-CE2 3.34Å; K447-Y449 PolarHBondContact O-N 3.28Å; Y449-T451 VanDerWaalsContact C-N 3.28Å; Y449-T451 PolarHBondContact O-N 3.34Å | ||
| 450 | I | 59.8 | Low | 74 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -64.2 | -14.3 | -144.4 | -67.9 | 179.1 | 0 | 0 | 0 | 115.8 | L399 P402 L498 | L399-I450 HydrophobicContact CB-CD1 4.02Å; L399-I450 HydrophobicContact CD2-CD1 4.16Å; P402-I450 VanDerWaalsContact CD-CG2 3.46Å; P402-I450 HydrophobicContact CG-CG2 3.98Å; I450-L498 HydrophobicContact CB-CD1 4.43Å; I450-L498 HydrophobicContact CB-CD2 4.13Å; I450-L498 HydrophobicContact CD1-CD2 3.4Å; I450-L498 VanDerWaalsContact CD1-CD2 3.4Å; I450-L498 HydrophobicContact CG1-CD2 4.3Å; I450-L498 HydrophobicContact CG2-CD1 3.75Å; I450-L498 HydrophobicContact CG2-CD2 3.57Å; I450-L498 HydrophobicContact CG2-CG 3.95Å |
| 451 | T | 66.2 | Low | 72.2 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 157.2 | 178.4 | -100.9 | 0 | 0 | 0 | 0 | 113.7 | L437 Y449 I490 R494 | L437-T451 HydrophobicContact CB-CG2 4.32Å; L437-T451 WeakPolarHBondContact CB-O 3.45Å; L437-T451 HydrophobicContact CD2-CG2 4.46Å; L437-T451 PolarHBondContact N-O 3.43Å; Y449-T451 VanDerWaalsContact C-N 3.28Å; Y449-T451 PolarHBondContact O-N 3.34Å; T451-I490 HydrophobicContact CG2-CD1 3.94Å; T451-I490 HydrophobicContact CG2-CG2 3.36Å; T451-R494 HydrophobicContact CG2-CB 4.22Å |
| 452 | Y | 71.8 | Confident | 70.2 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 165.3 | 173.7 | 66.5 | -72.5 | 0 | 0 | 0 | 110.7 | P421 L422 A423 W434 I435 | P421-Y452 WeakPolarHBondContact O-CE2 3.13Å; P421-Y452 PolarHBondContact O-OH 3.37Å; L422-Y452 WeakPolarHBondContact CA-OH 3.39Å; A423-Y452 HydrophobicContact CB-CD1 3.21Å; A423-Y452 HydrophobicContact CB-CD2 4.49Å; A423-Y452 HydrophobicContact CB-CE1 3.09Å; A423-Y452 HydrophobicContact CB-CE2 4.34Å; A423-Y452 HydrophobicContact CB-CG 4Å; A423-Y452 VanDerWaalsContact N-CE1 3.34Å; A423-Y452 PolarHBondContact N-OH 3.41Å; W434-Y452 HydrophobicContact CE3-CG 4.49Å; I435-Y452 CarbonylContact O-C 3.52Å; I435-Y452 WeakPolarHBondContact O-CA 3.26Å |
| 453 | V | 68.8 | Low | 67.7 | Low | 17 Ų | 17 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.3 | 170.4 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | I362 W434 I435 A455 A488 R489 I490 | I362-V453 HydrophobicContact CD1-CG2 4.19Å; W434-V453 WeakPolarHBondContact CA-O 3.3Å; I435-V453 HydrophobicContact CB-CG2 3.99Å; I435-V453 PolarHBondContact N-O 3.49Å; I435-V453 PolarHBondContact O-N 3.39Å; V453-A455 PolarHBondContact O-N 2.99Å; V453-A488 HydrophobicContact CG2-CB 4.05Å; V453-R489 VanDerWaalsContact CG1-O 3.22Å; V453-R489 WeakPolarHBondContact CG1-O 3.26Å; V453-I490 HydrophobicContact CG1-CB 4.04Å; V453-I490 HydrophobicContact CG1-CD1 4.35Å; V453-I490 HydrophobicContact CG1-CG1 3.64Å; V453-I490 HydrophobicContact CG1-CG2 4.26Å; V453-I490 HydrophobicContact CG2-CG1 4.21Å |
| 454 | Y | 68.5 | Low | 65.2 | Low | 124 Ų | 124 | 57.8 Ų | 57.8 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 127.2 | 168.4 | 177.7 | -101.7 | 0 | 0 | 0 | 109.8 | F432 S456 | F432-Y454 HydrophobicContact CB-CD2 3.87Å; F432-Y454 HydrophobicContact CB-CE2 3.5Å; F432-Y454 AromaticContact CD2-CD2 3.59Å; F432-Y454 HydrophobicContact CD2-CD2 3.59Å; F432-Y454 HydrophobicContact CD2-CE2 4.17Å; F432-Y454 HydrophobicContact CE2-CD2 4.33Å; F432-Y454 AromaticContact CG-CD2 3.83Å; F432-Y454 HydrophobicContact CG-CD2 3.83Å; F432-Y454 AromaticContact CG-CE2 3.98Å; F432-Y454 HydrophobicContact CG-CE2 3.98Å; Y454-S456 PolarHBondContact O-N 2.95Å |
| 455 | A | 70.3 | Confident | 62.5 | Low | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | trans | -80.9 | 103.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y364 D433 I435 V453 S457 Y507 | Y364-A455 VanDerWaalsContact OH-C 3.31Å; Y364-A455 WeakPolarHBondContact OH-CB 3.29Å; D433-A455 VanDerWaalsContact C-CB 3.48Å; D433-A455 HydrophobicContact CB-CB 3.86Å; D433-A455 VanDerWaalsContact O-CB 3.23Å; D433-A455 WeakPolarHBondContact O-CB 2.85Å; D433-A455 PolarHBondContact O-N 3.29Å; I435-A455 HydrophobicContact CD1-CB 4.21Å; I435-A455 HydrophobicContact CG1-CB 3.9Å; V453-A455 PolarHBondContact O-N 2.99Å; A455-S457 PolarHBondContact O-N 3.23Å; A455-Y507 HydrophobicContact CB-CD2 4.39Å; A455-Y507 HydrophobicContact CB-CE2 3.67Å | ||
| 456 | S | 68.1 | Low | 59.8 | Low | 23 Ų | 23 | 77.3 Ų | 77.3 | 16% | 0.161 | 37% | 0.372 | C | S | . | . | trans | -54.6 | 129.8 | -178.2 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | Y364 Y454 N458 Y486 K487 | Y364-S456 PolarHBondContact OH-N 3.33Å; Y364-S456 PolarHBondContact OH-O 3.21Å; Y454-S456 PolarHBondContact O-N 2.95Å; S456-N458 VanDerWaalsContact C-N 3.27Å; S456-N458 PolarHBondContact OG-N 2.89Å; S456-N458 VanDerWaalsContact OG-N 3.11Å; S456-Y486 VanDerWaalsContact O-CD1 3.23Å; S456-Y486 WeakPolarHBondContact O-CD1 3.25Å; S456-K487 WeakPolarHBondContact CB-O 3.44Å | ||
| 457 | S | 62.4 | Low | 57.1 | Low | 79 Ų | 79 | 83.1 Ų | 83.1 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | trans | -82.5 | -3.8 | 168.3 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | A455 V459 | A455-S457 PolarHBondContact O-N 3.23Å; S457-V459 PolarHBondContact O-N 3.22Å | ||
| 458 | N | 61.4 | Low | 54.7 | Low | 121 Ų | 121 | 86.1 Ų | 86.1 | 65% | 0.647 | 43% | 0.431 | S | S | * | . | trans | -85.1 | 115 | -175.6 | -65.8 | -24.1 | 0 | 0 | 0 | 110.7 | S456 | S456-N458 VanDerWaalsContact C-N 3.27Å; S456-N458 PolarHBondContact OG-N 2.89Å; S456-N458 VanDerWaalsContact OG-N 3.11Å | ||
| 459 | V | 58.6 | Low | 52.9 | Low | 55 Ų | 55 | 91 Ų | 91 | 33% | 0.333 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 125.3 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | S457 Q461 E484 Y486 | S457-V459 PolarHBondContact O-N 3.22Å; V459-Q461 HydrophobicContact CG1-CG 4.18Å; V459-E484 HydrophobicContact CG1-CB 3.54Å; V459-E484 HydrophobicContact CG1-CG 3.56Å; V459-E484 HydrophobicContact CG2-CB 4.49Å; V459-Y486 HydrophobicContact CB-CE1 4.48Å; V459-Y486 HydrophobicContact CG2-CD1 4.3Å; V459-Y486 HydrophobicContact CG2-CE1 3.47Å; V459-Y486 VanDerWaalsContact CG2-CE1 3.47Å |
| 460 | S | 57.5 | Low | 51.4 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.8 | 162.5 | -115 | 0 | 0 | 0 | 0 | 109.3 | F485 | S460-F485 PolarHBondContact N-O 2.73Å; S460-F485 PolarHBondContact O-N 2.8Å |
| 461 | Q | 49.2 | Very low | 50.2 | Low | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 116.6 | 174.5 | -67.4 | -175.2 | -2.1 | 0 | 0 | 110 | V459 | V459-Q461 HydrophobicContact CG1-CG 4.18Å |
| 462 | T | 47.4 | Very low | 48.4 | Very low | 71 Ų | 71 | 102.5 Ų | 102.5 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.3 | 173.8 | -0.3 | 0 | 0 | 0 | 0 | 110.8 | H464 | T462-H464 PolarHBondContact O-N 3.07Å |
| 463 | K | 38 | Very low | 46.5 | Very low | 176 Ų | 176 | 108.3 Ų | 108.3 | 77% | 0.765 | 59% | 0.585 | S | S | * | * | trans | -75.6 | 107.8 | 176.5 | -74.8 | -176.9 | 178.3 | 174 | 0 | 110.2 | F482 | K463-F482 HydrophobicContact CD-CE1 4.22Å; K463-F482 HydrophobicContact CD-CZ 4.48Å; K463-F482 HydrophobicContact CG-CD1 4.05Å; K463-F482 HydrophobicContact CG-CE1 3.36Å; K463-F482 HydrophobicContact CG-CZ 4.02Å | ||
| 464 | H | 37.8 | Very low | 44.9 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 68% | 0.676 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 130.1 | 163.5 | -100.9 | -67.4 | 0 | 0 | 0 | 111.5 | T462 | T462-H464 PolarHBondContact O-N 3.07Š|
| 465 | R | 35.5 | Very low | 43.3 | Very low | 243 Ų | 243 | 115.1 Ų | 115.1 | 92% | 0.917 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 126 | 168.7 | -118.2 | 178.8 | 174.3 | 178.5 | -2.5 | 108.3 | N467 | R465-N467 PolarHBondContact O-N 3.22Š|
| 466 | K | 33.6 | Very low | 41.5 | Very low | 172 Ų | 172 | 120.5 Ų | 120.5 | 75% | 0.748 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 122.8 | 177.5 | -80.5 | -174.4 | 174.7 | -176.2 | 0 | 111 | S471 | K466-S471 PolarHBondContact NZ-OG 3.3Š|
| 467 | N | 31.2 | Very low | 39.9 | Very low | 156 Ų | 156 | 125 Ų | 125 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | trans | -111.3 | 139.1 | 146.4 | -77.2 | -15.5 | 0 | 0 | 0 | 106.8 | R465 | R465-N467 PolarHBondContact O-N 3.22Š| ||
| 468 | S | 29.4 | Very low | 38.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 90.2 | 94.8 | 174.7 | 92.1 | 0 | 0 | 0 | 0 | 120.1 | S470 | S468-S470 PolarHBondContact O-N 3.02Š|
| 469 | V | 30.5 | Very low | 37.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 95% | 0.952 | 71% | 0.712 | S | S | * | * | trans | -2 | 63.8 | 137.6 | -157.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 470 | S | 33.2 | Very low | 36.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | -140.5 | 5.4 | 164.6 | 66.9 | 0 | 0 | 0 | 0 | 118.7 | S468 | S468-S470 PolarHBondContact O-N 3.02Š| ||
| 471 | S | 34.3 | Very low | 36.3 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | trans | -102.1 | 28.2 | -173.9 | 78 | 0 | 0 | 0 | 0 | 116.2 | K466 L473 | K466-S471 PolarHBondContact NZ-OG 3.3Å; S471-L473 PolarHBondContact O-N 3.07Å | ||
| 472 | A | 29.3 | Very low | 36.2 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -81.4 | -7.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 473 | L | 32.5 | Very low | 36.9 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -101.1 | -9.6 | -169.3 | -100.4 | 95.2 | 0 | 0 | 0 | 118 | S471 | S471-L473 PolarHBondContact O-N 3.07Š|
| 474 | L | 34.8 | Very low | 38.6 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 63% | 0.634 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -152.3 | 97.7 | 179.8 | -69.1 | 166.4 | 0 | 0 | 0 | 109 | ||
| 475 | Q | 33.4 | Very low | 40.8 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | 147.7 | 147.9 | 146.5 | -80.2 | 165.8 | 22.5 | 0 | 0 | 113.5 | ||||
| 476 | P | 33 | Very low | 43.3 | Very low | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | trans | -65.4 | 162.4 | -179.5 | 26.1 | -33.2 | 0 | 0 | 0 | 113.5 | ||||
| 477 | P | 35.5 | Very low | 45.9 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -75.6 | 152.4 | -164.8 | -7.4 | 24.4 | 0 | 0 | 0 | 113.8 | ||
| 478 | N | 37.9 | Very low | 48.6 | Very low | 163 Ų | 163 | 111.3 Ų | 111.3 | 87% | 0.872 | 62% | 0.621 | S | S | * | * | trans | 74.7 | 47.1 | 151 | -72.7 | -8.7 | 0 | 0 | 0 | 121.1 | ||||
| 479 | K | 37.5 | Very low | 51.3 | Low | 196 Ų | 196 | 111.3 Ų | 111.3 | 85% | 0.852 | 60% | 0.604 | S | S | * | * | trans | -120.8 | 117.7 | 144.7 | -73.4 | -173.6 | 179.8 | -179.9 | 0 | 109.7 | K481 | K479-K481 PolarHBondContact O-N 2.86Š| ||
| 480 | A | 40.9 | Very low | 53.8 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 80% | 0.802 | 56% | 0.559 | S | S | * | * | trans | -60.6 | 99.8 | 168 | 0 | 0 | 0 | 0 | 0 | 107.6 | F482 | A480-F482 PolarHBondContact O-N 3.2Š| ||
| 481 | K | 46.4 | Very low | 56.1 | Low | 171 Ų | 171 | 102.4 Ų | 102.4 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 117.4 | 170.2 | -86.5 | -172.5 | 173.6 | -177.5 | 0 | 107 | K479 Q483 | K479-K481 PolarHBondContact O-N 2.86Å; K481-Q483 PolarHBondContact O-N 3.01Å |
| 482 | F | 47.9 | Very low | 58.3 | Low | 105 Ų | 105 | 99.7 Ų | 99.7 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 127.2 | 161.5 | -72.2 | -100.4 | 0 | 0 | 0 | 106.7 | K463 A480 | K463-F482 HydrophobicContact CD-CE1 4.22Å; K463-F482 HydrophobicContact CD-CZ 4.48Å; K463-F482 HydrophobicContact CG-CD1 4.05Å; K463-F482 HydrophobicContact CG-CE1 3.36Å; K463-F482 HydrophobicContact CG-CZ 4.02Å; A480-F482 PolarHBondContact O-N 3.2Å |
| 483 | Q | 61.3 | Low | 60.7 | Low | 102 Ų | 102 | 98.3 Ų | 98.3 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120 | 168.6 | -85.6 | -176.2 | -15.2 | 0 | 0 | 106.9 | Q365 K481 F485 | Q365-Q483 VanDerWaalsContact NE2-CD 3.32Å; K481-Q483 PolarHBondContact O-N 3.01Å; Q483-F485 HydrophobicContact CB-CD2 4.24Å; Q483-F485 HydrophobicContact CB-CE1 4.5Å; Q483-F485 HydrophobicContact CB-CE2 3.44Å; Q483-F485 VanDerWaalsContact CB-CE2 3.44Å; Q483-F485 HydrophobicContact CB-CZ 3.62Å; Q483-F485 WeakPolarHBondContact O-CD2 3.49Å; Q483-F485 VanDerWaalsContact O-CE2 3.26Å; Q483-F485 WeakPolarHBondContact O-CE2 3.42Å |
| 484 | E | 74 | Confident | 62.7 | Low | 96 Ų | 96 | 95.5 Ų | 95.5 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126 | 174.8 | -68.2 | -171.7 | 160 | 0 | 0 | 108.3 | Q365 V459 | Q365-E484 WeakPolarHBondContact CG-O 3.5Å; V459-E484 HydrophobicContact CG1-CB 3.54Å; V459-E484 HydrophobicContact CG1-CG 3.56Å; V459-E484 HydrophobicContact CG2-CB 4.49Å |
| 485 | F | 83.9 | Confident | 64.6 | Low | 18 Ų | 18 | 89.8 Ų | 89.8 | 8% | 0.079 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.5 | 178 | -62.1 | -83.6 | 0 | 0 | 0 | 109.1 | I347 Q365 S460 Q483 | I347-F485 HydrophobicContact CD1-CD1 3.13Å; I347-F485 HydrophobicContact CD1-CE1 3.17Å; I347-F485 HydrophobicContact CD1-CG 4.44Å; I347-F485 HydrophobicContact CG1-CD1 4.44Å; I347-F485 HydrophobicContact CG1-CE1 4.14Å; Q365-F485 VanDerWaalsContact CD-CE1 3.44Å; Q365-F485 HydrophobicContact CG-CD1 3.55Å; Q365-F485 HydrophobicContact CG-CE1 3.72Å; Q365-F485 HydrophobicContact CG-CG 4.46Å; S460-F485 PolarHBondContact N-O 2.73Å; S460-F485 PolarHBondContact O-N 2.8Å; Q483-F485 HydrophobicContact CB-CD2 4.24Å; Q483-F485 HydrophobicContact CB-CE1 4.5Å; Q483-F485 HydrophobicContact CB-CE2 3.44Å; Q483-F485 VanDerWaalsContact CB-CE2 3.44Å; Q483-F485 HydrophobicContact CB-CZ 3.62Å; Q483-F485 WeakPolarHBondContact O-CD2 3.49Å; Q483-F485 VanDerWaalsContact O-CE2 3.26Å; Q483-F485 WeakPolarHBondContact O-CE2 3.42Å |
| 486 | Y | 88.8 | Confident | 66.4 | Low | 43 Ų | 43 | 87.7 Ų | 87.7 | 17% | 0.169 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 147.4 | 173.7 | -59.5 | -88.8 | 0 | 0 | 0 | 109 | S363 Y364 V366 S456 V459 | S363-Y486 VanDerWaalsContact CA-O 3.31Å; S363-Y486 WeakPolarHBondContact CA-O 3.42Å; Y364-Y486 HydrophobicContact CD2-CD2 4.15Å; Y364-Y486 HydrophobicContact CD2-CG 4.35Å; Y364-Y486 VanDerWaalsContact CE2-CB 3.43Å; Y364-Y486 AromaticContact CE2-CD2 3.9Å; Y364-Y486 HydrophobicContact CE2-CD2 3.9Å; Y364-Y486 AromaticContact CE2-CG 3.77Å; Y364-Y486 HydrophobicContact CE2-CG 3.77Å; Y364-Y486 AromaticContact CZ-CG 3.99Å; Y364-Y486 PolarHBondContact N-O 3.23Å; Y364-Y486 PolarHBondContact O-N 3.46Å; V366-Y486 HydrophobicContact CB-CE2 4.07Å; V366-Y486 HydrophobicContact CG2-CD2 4.02Å; V366-Y486 HydrophobicContact CG2-CE2 3.74Å; S456-Y486 VanDerWaalsContact O-CD1 3.23Å; S456-Y486 WeakPolarHBondContact O-CD1 3.25Å; V459-Y486 HydrophobicContact CB-CE1 4.48Å; V459-Y486 HydrophobicContact CG2-CD1 4.3Å; V459-Y486 HydrophobicContact CG2-CE1 3.47Å; V459-Y486 VanDerWaalsContact CG2-CE1 3.47Å |
| 487 | K | 88.2 | Confident | 68 | Low | 113 Ų | 113 | 87.5 Ų | 87.5 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.6 | 176.8 | -67.3 | -173.9 | 177.7 | -177.4 | 0 | 110.3 | I362 S456 | I362-K487 VanDerWaalsContact O-CA 3.29Å; I362-K487 WeakPolarHBondContact O-CA 3.2Å; S456-K487 WeakPolarHBondContact CB-O 3.44Å |
| 488 | A | 87.7 | Confident | 69.6 | Low | 10 Ų | 10 | 81.9 Ų | 81.9 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 163 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | I362 Y364 I435 V453 | I362-A488 WeakPolarHBondContact CA-O 3.43Å; I362-A488 HydrophobicContact CB-CB 4.2Å; I362-A488 WeakPolarHBondContact CB-O 3.23Å; I362-A488 PolarHBondContact N-O 3.1Å; I362-A488 PolarHBondContact O-N 2.87Å; Y364-A488 HydrophobicContact CE1-CB 4.28Å; I435-A488 HydrophobicContact CD1-CB 3.85Å; V453-A488 HydrophobicContact CG2-CB 4.05Å |
| 489 | R | 85.7 | Confident | 70.9 | Confident | 108 Ų | 108 | 76.5 Ų | 76.5 | 41% | 0.408 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 130.4 | -176.5 | 172.1 | -179.1 | 156.1 | 168.5 | -14.3 | 110.6 | N359 L360 E361 V453 E491 | N359-R489 HydrophobicContact CB-CG 3.91Å; N359-R489 VanDerWaalsContact CG-NE 3.31Å; N359-R489 VanDerWaalsContact CG-NH2 3.33Å; N359-R489 PolarHBondContact ND2-NE 2.67Å; N359-R489 PolarHBondContact ND2-NH1 3.09Å; N359-R489 PolarHBondContact ND2-NH2 3.46Å; L360-R489 WeakPolarHBondContact O-CA 3.39Å; E361-R489 WeakPolarHBondContact OE1-CD 3.41Å; V453-R489 VanDerWaalsContact CG1-O 3.22Å; V453-R489 WeakPolarHBondContact CG1-O 3.26Å; R489-E491 IonicContact CZ-OE1 3.07Å; R489-E491 IonicContact CZ-OE2 2.83Å; R489-E491 IonicContact NE-OE1 3Å; R489-E491 PolarHBondContact NE-OE1 3.34Å; R489-E491 IonicContact NE-OE2 3.76Å; R489-E491 VanDerWaalsContact NH2-CD 3.27Å; R489-E491 IonicContact NH2-OE1 3.94Å; R489-E491 PolarHBondContact NH2-OE1 2.86Å; R489-E491 IonicContact NH2-OE2 3.45Å; R489-E491 PolarHBondContact NH2-OE2 2.81Å |
| 490 | I | 82.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.5 | 167.1 | -41.2 | -161.8 | 0 | 0 | 0 | 109.1 | N359 L360 I362 L437 T451 V453 R494 L495 L505 | N359-I490 WeakPolarHBondContact CA-O 3.42Å; L360-I490 HydrophobicContact CB-CB 4.1Å; L360-I490 HydrophobicContact CB-CG1 4.37Å; L360-I490 HydrophobicContact CD2-CD1 3.92Å; L360-I490 HydrophobicContact CD2-CG1 4.11Å; L360-I490 PolarHBondContact N-O 3.16Å; L360-I490 PolarHBondContact O-N 3.03Å; I362-I490 HydrophobicContact CD1-CD1 4.02Å; I362-I490 HydrophobicContact CD1-CG1 3.71Å; L437-I490 HydrophobicContact CB-CD1 4.17Å; L437-I490 HydrophobicContact CD1-CD1 4.49Å; L437-I490 HydrophobicContact CD2-CD1 4.42Å; T451-I490 HydrophobicContact CG2-CD1 3.94Å; T451-I490 HydrophobicContact CG2-CG2 3.36Å; V453-I490 HydrophobicContact CG1-CB 4.04Å; V453-I490 HydrophobicContact CG1-CD1 4.35Å; V453-I490 HydrophobicContact CG1-CG1 3.64Å; V453-I490 HydrophobicContact CG1-CG2 4.26Å; V453-I490 HydrophobicContact CG2-CG1 4.21Å; I490-R494 HydrophobicContact CG2-CB 4.14Å; I490-L495 HydrophobicContact CG2-CD2 3.94Å; I490-L495 HydrophobicContact CG2-CG 4.41Å; I490-L505 HydrophobicContact CD1-CD2 4.37Å |
| 491 | E | 81.8 | Confident | 74.3 | Confident | 75 Ų | 75 | 67.5 Ų | 67.5 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -60 | 136.4 | 176.4 | -66.7 | -56.4 | 136.9 | 0 | 0 | 111.9 | N359 R489 S493 R494 | N359-E491 PolarHBondContact OD1-OE2 3.45Å; R489-E491 IonicContact CZ-OE1 3.07Å; R489-E491 IonicContact CZ-OE2 2.83Å; R489-E491 IonicContact NE-OE1 3Å; R489-E491 PolarHBondContact NE-OE1 3.34Å; R489-E491 IonicContact NE-OE2 3.76Å; R489-E491 VanDerWaalsContact NH2-CD 3.27Å; R489-E491 IonicContact NH2-OE1 3.94Å; R489-E491 PolarHBondContact NH2-OE1 2.86Å; R489-E491 IonicContact NH2-OE2 3.45Å; R489-E491 PolarHBondContact NH2-OE2 2.81Å; E491-S493 PolarHBondContact O-N 2.93Å; E491-S493 VanDerWaalsContact O-N 3.12Å; E491-R494 WeakPolarHBondContact O-CB 3.02Å; E491-R494 PolarHBondContact O-N 2.91Å | ||
| 492 | S | 80.9 | Confident | 76.1 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -55.3 | -30.7 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | N359 R494 L495 K496 | N359-S492 WeakPolarHBondContact OD1-CB 3.34Å; N359-S492 PolarHBondContact OD1-N 3.41Å; N359-S492 PolarHBondContact OD1-OG 3.15Å; S492-R494 PolarHBondContact O-N 3.44Å; S492-L495 WeakPolarHBondContact O-CA 3.46Å; S492-L495 WeakPolarHBondContact O-CB 3.09Å; S492-L495 PolarHBondContact O-N 3.24Å; S492-K496 WeakPolarHBondContact O-CG 3.47Å; S492-K496 PolarHBondContact O-N 3Å |
| 493 | S | 78.8 | Confident | 78 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -56.2 | -31.1 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | E491 L495 | E491-S493 PolarHBondContact O-N 2.93Å; E491-S493 VanDerWaalsContact O-N 3.12Å; S493-L495 VanDerWaalsContact C-N 3.33Å |
| 494 | R | 74.4 | Confident | 79.4 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -82.6 | -10.7 | 176.6 | -59.9 | -174.4 | -178.1 | -93.5 | 2.7 | 113.5 | T451 I490 E491 S492 | T451-R494 HydrophobicContact CG2-CB 4.22Å; I490-R494 HydrophobicContact CG2-CB 4.14Å; E491-R494 WeakPolarHBondContact O-CB 3.02Å; E491-R494 PolarHBondContact O-N 2.91Å; S492-R494 PolarHBondContact O-N 3.44Å |
| 495 | L | 75 | Confident | 80.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -11.6 | -178.4 | -53.5 | -179 | 0 | 0 | 0 | 112.9 | L360 L437 I490 S492 S493 D497 L498 I524 | L360-L495 HydrophobicContact CB-CD1 3.79Å; L437-L495 HydrophobicContact CD2-CD2 3.86Å; I490-L495 HydrophobicContact CG2-CD2 3.94Å; I490-L495 HydrophobicContact CG2-CG 4.41Å; S492-L495 WeakPolarHBondContact O-CA 3.46Å; S492-L495 WeakPolarHBondContact O-CB 3.09Å; S492-L495 PolarHBondContact O-N 3.24Å; S493-L495 VanDerWaalsContact C-N 3.33Å; L495-D497 PolarHBondContact O-N 3.18Å; L495-L498 HydrophobicContact CD2-CD1 4.38Å; L495-L498 PolarHBondContact O-N 3.35Å; L495-L498 VanDerWaalsContact O-N 3.08Å; L495-I524 HydrophobicContact CB-CD1 4.29Å; L495-I524 HydrophobicContact CD2-CD1 3.88Å; L495-I524 HydrophobicContact CG-CD1 4.5Å |
| 496 | K | 71 | Confident | 80.6 | Confident | 118 Ų | 118 | 46.4 Ų | 46.4 | 51% | 0.513 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33 | -174.2 | -73.3 | 180 | -178.5 | -179.8 | 0 | 113.7 | F356 S492 L498 P499 | F356-K496 HydrophobicContact CD2-CG 4.26Å; S492-K496 WeakPolarHBondContact O-CG 3.47Å; S492-K496 PolarHBondContact O-N 3Å; K496-L498 VanDerWaalsContact C-N 3.34Å; K496-P499 WeakPolarHBondContact O-CD 3.26Å |
| 497 | D | 67.4 | Low | 80.7 | Confident | 113 Ų | 113 | 45 Ų | 45 | 60% | 0.604 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 8.7 | -177.7 | -55.2 | -40.4 | 0 | 0 | 0 | 113 | L495 | L495-D497 PolarHBondContact O-N 3.18Š|
| 498 | L | 69.8 | Low | 80.7 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -112.7 | 20.4 | -177.8 | -60.8 | -178.6 | 0 | 0 | 0 | 116.7 | L437 I450 L495 K496 F503 I524 | L437-L498 HydrophobicContact CD2-CD1 3.7Å; I450-L498 HydrophobicContact CB-CD1 4.43Å; I450-L498 HydrophobicContact CB-CD2 4.13Å; I450-L498 HydrophobicContact CD1-CD2 3.4Å; I450-L498 VanDerWaalsContact CD1-CD2 3.4Å; I450-L498 HydrophobicContact CG1-CD2 4.3Å; I450-L498 HydrophobicContact CG2-CD1 3.75Å; I450-L498 HydrophobicContact CG2-CD2 3.57Å; I450-L498 HydrophobicContact CG2-CG 3.95Å; L495-L498 HydrophobicContact CD2-CD1 4.38Å; L495-L498 PolarHBondContact O-N 3.35Å; L495-L498 VanDerWaalsContact O-N 3.08Å; K496-L498 VanDerWaalsContact C-N 3.34Å; L498-F503 HydrophobicContact CB-CE2 3.83Å; L498-F503 HydrophobicContact CB-CZ 3.64Å; L498-F503 HydrophobicContact CD1-CE1 3.95Å; L498-F503 HydrophobicContact CD1-CE2 4.2Å; L498-F503 HydrophobicContact CD1-CZ 3.71Å; L498-F503 HydrophobicContact CD2-CE1 4.02Å; L498-F503 HydrophobicContact CD2-CZ 3.61Å; L498-F503 HydrophobicContact CG-CE1 4.43Å; L498-F503 HydrophobicContact CG-CE2 4.45Å; L498-F503 HydrophobicContact CG-CZ 3.85Å; L498-I524 HydrophobicContact CB-CD1 3.81Å; L498-I524 HydrophobicContact CD1-CD1 4.07Å | ||
| 499 | P | 65.1 | Low | 80.5 | Confident | 49 Ų | 49 | 40 Ų | 40 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 145.4 | -171.8 | 29.2 | -34.4 | 0 | 0 | 0 | 112.7 | K496 Q501 T526 | K496-P499 WeakPolarHBondContact O-CD 3.26Å; P499-Q501 PolarHBondContact O-N 2.88Å; P499-T526 HydrophobicContact CB-CG2 3.53Å; P499-T526 HydrophobicContact CG-CG2 4.22Å |
| 500 | G | 71.8 | Confident | 80.2 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -7.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I524 | G500-I524 WeakPolarHBondContact CA-O 3.36Å; G500-I524 PolarHBondContact N-O 2.98Å |
| 501 | Q | 76.9 | Confident | 79.8 | Confident | 55 Ų | 55 | 46 Ų | 46 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | trans | -90.4 | 155.9 | -177.1 | -63 | 179.8 | 42.2 | 0 | 0 | 112.2 | P499 F503 I524 | P499-Q501 PolarHBondContact O-N 2.88Å; Q501-F503 HydrophobicContact CB-CD2 4.37Å; Q501-F503 HydrophobicContact CB-CE2 3.4Å; Q501-F503 VanDerWaalsContact CB-CE2 3.4Å; Q501-F503 HydrophobicContact CB-CZ 3.51Å; Q501-F503 HydrophobicContact CG-CZ 4.4Å; Q501-I524 PolarHBondContact O-N 3.24Å; Q501-I524 VanDerWaalsContact O-N 3.1Å | ||
| 502 | S | 85 | Confident | 79.6 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 136.7 | 173.6 | -80.2 | 0 | 0 | 0 | 0 | 110.2 | A440 F522 K523 | A440-S502 PolarHBondContact N-O 3.38Å; S502-F522 CarbonylContact C-O 3.56Å; S502-F522 VanDerWaalsContact CA-O 3.26Å; S502-F522 WeakPolarHBondContact CA-O 3.47Å; S502-K523 WeakPolarHBondContact OG-CE 3.38Å; S502-K523 WeakPolarHBondContact OG-CG 3.47Å |
| 503 | F | 87.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 160.7 | -179.1 | -61.9 | -86.6 | 0 | 0 | 0 | 111.6 | L437 Y438 L498 Q501 P521 F522 I524 | L437-F503 HydrophobicContact CD1-CB 3.53Å; L437-F503 HydrophobicContact CD1-CD1 4.24Å; L437-F503 HydrophobicContact CD1-CG 3.97Å; L437-F503 HydrophobicContact CD2-CD1 4.23Å; L437-F503 HydrophobicContact CD2-CG 4.39Å; L437-F503 HydrophobicContact CG-CB 4.11Å; L437-F503 HydrophobicContact CG-CD1 3.85Å; L437-F503 HydrophobicContact CG-CG 4.07Å; Y438-F503 CarbonylContact O-C 3.49Å; Y438-F503 WeakPolarHBondContact O-CA 3.33Å; Y438-F503 VanDerWaalsContact O-CB 3.28Å; Y438-F503 WeakPolarHBondContact O-CB 3.34Å; Y438-F503 WeakPolarHBondContact O-CD1 3.47Å; L498-F503 HydrophobicContact CB-CE2 3.83Å; L498-F503 HydrophobicContact CB-CZ 3.64Å; L498-F503 HydrophobicContact CD1-CE1 3.95Å; L498-F503 HydrophobicContact CD1-CE2 4.2Å; L498-F503 HydrophobicContact CD1-CZ 3.71Å; L498-F503 HydrophobicContact CD2-CE1 4.02Å; L498-F503 HydrophobicContact CD2-CZ 3.61Å; L498-F503 HydrophobicContact CG-CE1 4.43Å; L498-F503 HydrophobicContact CG-CE2 4.45Å; L498-F503 HydrophobicContact CG-CZ 3.85Å; Q501-F503 HydrophobicContact CB-CD2 4.37Å; Q501-F503 HydrophobicContact CB-CE2 3.4Å; Q501-F503 VanDerWaalsContact CB-CE2 3.4Å; Q501-F503 HydrophobicContact CB-CZ 3.51Å; Q501-F503 HydrophobicContact CG-CZ 4.4Å; F503-P521 CarbonylContact O-C 3.47Å; F503-P521 VanDerWaalsContact O-CA 3.25Å; F503-P521 WeakPolarHBondContact O-CA 3.14Å; F503-F522 HydrophobicContact CB-CE1 4.06Å; F503-F522 HydrophobicContact CB-CE2 4.37Å; F503-F522 HydrophobicContact CB-CZ 3.96Å; F503-F522 PolarHBondContact N-O 3.04Å; F503-F522 WeakPolarHBondContact O-CD1 3.35Å; F503-F522 WeakPolarHBondContact O-CE1 3.46Å; F503-F522 PolarHBondContact O-N 3.28Å; F503-I524 HydrophobicContact CD2-CD1 3.65Å; F503-I524 HydrophobicContact CD2-CG1 3.87Å; F503-I524 HydrophobicContact CE2-CB 4.46Å; F503-I524 HydrophobicContact CE2-CD1 3.57Å; F503-I524 HydrophobicContact CE2-CG1 4.01Å; F503-I524 HydrophobicContact CZ-CD1 4.49Å |
| 504 | C | 90.1 | Very high | 79.6 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 148.9 | 165 | 60.1 | 0 | 0 | 0 | 0 | 109.5 | Y438 | Y438-C504 PolarHBondContact N-O 3.26Å; Y438-C504 PolarHBondContact O-N 2.8Å |
| 505 | L | 91 | Very high | 80.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.7 | 171.5 | -57.2 | 175.6 | 0 | 0 | 0 | 109.6 | F346 P349 L360 I362 I435 A436 L437 I490 Y518 S519 F522 | F346-L505 HydrophobicContact CD1-CB 4.2Å; F346-L505 HydrophobicContact CD1-CD1 3.71Å; F346-L505 HydrophobicContact CE1-CB 3.71Å; F346-L505 HydrophobicContact CE1-CD1 3.67Å; F346-L505 HydrophobicContact CE1-CG 4.35Å; F346-L505 HydrophobicContact CE2-CB 4.05Å; F346-L505 HydrophobicContact CZ-CB 3.61Å; F346-L505 HydrophobicContact CZ-CD1 4.44Å; P349-L505 HydrophobicContact CG-CD1 4.38Å; L360-L505 HydrophobicContact CD2-CD2 4.42Å; I362-L505 HydrophobicContact CB-CD1 4.32Å; I362-L505 HydrophobicContact CD1-CD1 3.73Å; I362-L505 HydrophobicContact CD1-CD2 3.97Å; I362-L505 HydrophobicContact CG1-CD1 3.77Å; I362-L505 HydrophobicContact CG2-CD1 3.62Å; I435-L505 HydrophobicContact CG2-CB 3.87Å; I435-L505 HydrophobicContact CG2-CD1 4.34Å; I435-L505 HydrophobicContact CG2-CD2 4.07Å; I435-L505 HydrophobicContact CG2-CG 4.31Å; A436-L505 CarbonylContact O-C 3.54Å; A436-L505 VanDerWaalsContact O-CA 3.28Å; A436-L505 WeakPolarHBondContact O-CA 3.48Å; L437-L505 HydrophobicContact CD1-CD2 3.75Å; I490-L505 HydrophobicContact CD1-CD2 4.37Å; L505-Y518 CarbonylContact O-C 3.49Å; L505-Y518 WeakPolarHBondContact O-CA 3.31Å; L505-S519 PolarHBondContact N-OG 3.06Å; L505-S519 PolarHBondContact O-N 2.88Å; L505-F522 HydrophobicContact CD2-CE1 4.09Å; L505-F522 HydrophobicContact CD2-CZ 4.02Å; L505-F522 HydrophobicContact CG-CE1 3.83Å; L505-F522 HydrophobicContact CG-CZ 4.22Å |
| 506 | V | 91.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.4 | 172 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | I435 A436 Y438 M508 P515 G517 Y518 | I435-V506 WeakPolarHBondContact CA-O 3.48Å; A436-V506 HydrophobicContact CB-CB 4.39Å; A436-V506 PolarHBondContact N-O 3.07Å; A436-V506 PolarHBondContact O-N 3.07Å; Y438-V506 HydrophobicContact CD2-CB 3.97Å; Y438-V506 HydrophobicContact CD2-CG2 3.44Å; Y438-V506 VanDerWaalsContact CD2-CG2 3.44Å; Y438-V506 HydrophobicContact CE2-CB 4.03Å; Y438-V506 HydrophobicContact CE2-CG2 3.88Å; Y438-V506 HydrophobicContact CG-CG2 3.89Å; V506-M508 HydrophobicContact CB-CE 4.3Å; V506-M508 HydrophobicContact CG1-CE 3.65Å; V506-M508 HydrophobicContact CG1-SD 4.18Å; V506-P515 HydrophobicContact CG1-CB 3.74Å; V506-P515 HydrophobicContact CG1-CG 3.9Å; V506-G517 WeakPolarHBondContact CA-O 3.49Å; V506-Y518 HydrophobicContact CB-CD1 4.44Å; V506-Y518 HydrophobicContact CB-CE1 4.41Å; V506-Y518 HydrophobicContact CG1-CD1 4.12Å; V506-Y518 HydrophobicContact CG1-CE1 3.75Å; V506-Y518 HydrophobicContact CG2-CD1 3.76Å; V506-Y518 HydrophobicContact CG2-CE1 3.8Å |
| 507 | Y | 91.9 | Very high | 82.2 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.5 | 174.6 | -171.5 | -76 | 0 | 0 | 0 | 109.4 | V344 Y364 D433 I435 A455 P515 Q516 G517 | V344-Y507 HydrophobicContact CB-CD1 4.48Å; V344-Y507 HydrophobicContact CB-CD2 4.3Å; V344-Y507 HydrophobicContact CB-CG 4.06Å; V344-Y507 HydrophobicContact CG1-CD2 3.71Å; V344-Y507 HydrophobicContact CG1-CE2 4.33Å; V344-Y507 HydrophobicContact CG1-CG 3.91Å; V344-Y507 HydrophobicContact CG2-CD1 3.73Å; V344-Y507 HydrophobicContact CG2-CD2 3.99Å; V344-Y507 HydrophobicContact CG2-CE1 3.93Å; V344-Y507 HydrophobicContact CG2-CE2 4.16Å; V344-Y507 HydrophobicContact CG2-CG 3.73Å; Y364-Y507 HydrophobicContact CD2-CD2 4.34Å; Y364-Y507 HydrophobicContact CD2-CE2 4.09Å; Y364-Y507 HydrophobicContact CE2-CD2 4.16Å; Y364-Y507 AromaticContact CE2-CE2 3.51Å; Y364-Y507 HydrophobicContact CE2-CE2 3.51Å; Y364-Y507 AromaticContact CZ-CE2 3.92Å; D433-Y507 HydrophobicContact CB-CE1 3.92Å; D433-Y507 VanDerWaalsContact CB-OH 3.25Å; D433-Y507 WeakPolarHBondContact CB-OH 3.32Å; D433-Y507 VanDerWaalsContact CG-OH 3.31Å; D433-Y507 WeakPolarHBondContact OD2-CE1 3.41Å; D433-Y507 VanDerWaalsContact OD2-CZ 3.32Å; D433-Y507 PolarHBondContact OD2-OH 3.02Å; I435-Y507 HydrophobicContact CD1-CD2 4.36Å; I435-Y507 HydrophobicContact CG1-CD2 3.91Å; I435-Y507 HydrophobicContact CG1-CE2 4.47Å; A455-Y507 HydrophobicContact CB-CD2 4.39Å; A455-Y507 HydrophobicContact CB-CE2 3.67Å; Y507-P515 CarbonylContact O-C 3.41Å; Y507-P515 VanDerWaalsContact O-CA 3.29Å; Y507-P515 WeakPolarHBondContact O-CA 3.49Å; Y507-Q516 HydrophobicContact CD1-CB 3.88Å; Y507-Q516 HydrophobicContact CE1-CB 4.49Å; Y507-Q516 PolarHBondContact O-N 3.21Å; Y507-G517 PolarHBondContact N-O 3.05Å |
| 508 | M | 87.7 | Confident | 83.4 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.3 | 178.9 | -63.2 | -68.3 | -170 | 0 | 0 | 109.6 | T426 L427 D433 W434 Y438 L445 V506 P515 | T426-M508 HydrophobicContact CG2-CE 3.6Å; L427-M508 HydrophobicContact CD2-SD 4.4Å; D433-M508 WeakPolarHBondContact CA-O 3.27Å; W434-M508 HydrophobicContact CD2-CB 3.75Å; W434-M508 HydrophobicContact CD2-CG 4.01Å; W434-M508 HydrophobicContact CE3-CB 4.47Å; W434-M508 HydrophobicContact CE3-CG 4.27Å; W434-M508 HydrophobicContact CG-CB 4.03Å; W434-M508 HydrophobicContact CH2-CG 3.89Å; W434-M508 HydrophobicContact CZ2-CB 3.81Å; W434-M508 HydrophobicContact CZ2-CG 3.55Å; W434-M508 HydrophobicContact CZ3-CG 4.25Å; W434-M508 PolarHBondContact N-O 2.59Å; W434-M508 PolarHBondContact O-N 2.78Å; Y438-M508 HydrophobicContact CE2-CE 4.3Å; L445-M508 HydrophobicContact CD1-CE 4.26Å; V506-M508 HydrophobicContact CB-CE 4.3Å; V506-M508 HydrophobicContact CG1-CE 3.65Å; V506-M508 HydrophobicContact CG1-SD 4.18Å; M508-P515 HydrophobicContact CE-CG 3.96Å; M508-P515 HydrophobicContact SD-CB 4.4Å; M508-P515 HydrophobicContact SD-CG 3.84Å |
| 509 | S | 84.4 | Confident | 84.5 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | trans | -86.3 | 136.9 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.7 | N511 K512 H513 C514 | S509-N511 VanDerWaalsContact C-N 3.25Å; S509-N511 PolarHBondContact O-N 3.37Å; S509-N511 PolarHBondContact OG-N 3.34Å; S509-N511 VanDerWaalsContact OG-N 3.14Å; S509-K512 PolarHBondContact OG-N 3.02Å; S509-H513 VanDerWaalsContact O-CA 3.3Å; S509-H513 WeakPolarHBondContact O-CA 3.35Å; S509-H513 PolarHBondContact O-N 3.4Å; S509-C514 PolarHBondContact N-O 3.06Å | ||
| 510 | R | 79 | Confident | 85.6 | Confident | 119 Ų | 119 | 33.4 Ų | 33.4 | 45% | 0.449 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.4 | 171.4 | 83 | -174 | 178.6 | 176.2 | -7.6 | 113.7 | S431 F432 D433 H513 | S431-R510 WeakPolarHBondContact O-CD 3.12Å; S431-R510 PolarHBondContact O-NH1 3.02Å; F432-R510 VanDerWaalsContact C-CB 3.49Å; D433-R510 VanDerWaalsContact OD1-CB 3.26Å; D433-R510 WeakPolarHBondContact OD1-CB 3.42Å; D433-R510 VanDerWaalsContact OD1-CG 3.22Å; D433-R510 WeakPolarHBondContact OD1-CG 3.49Å; D433-R510 PolarHBondContact OD1-N 2.94Å; R510-H513 PolarHBondContact O-CE1 3.4Å; R510-H513 PolarHBondContact O-ND1 3.26Å; R510-H513 PolarHBondContact O-NE2 2.86Å |
| 511 | N | 75 | Confident | 86.5 | Confident | 115 Ų | 115 | 34.3 Ų | 34.3 | 62% | 0.615 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -40.5 | -177.7 | -71.1 | -11.2 | 0 | 0 | 0 | 109.9 | R153 S509 | R153-N511 PolarHBondContact NH1-O 3.25Å; S509-N511 VanDerWaalsContact C-N 3.25Å; S509-N511 PolarHBondContact O-N 3.37Å; S509-N511 PolarHBondContact OG-N 3.34Å; S509-N511 VanDerWaalsContact OG-N 3.14Å |
| 512 | K | 76.4 | Confident | 87 | Confident | 80 Ų | 80 | 31.8 Ų | 31.8 | 35% | 0.348 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.3 | -176.4 | -63.6 | -60.8 | -159.6 | 164.9 | 0 | 113.9 | N91 R153 D154 S509 C514 | N91-K512 WeakPolarHBondContact OD1-CD 3.5Å; N91-K512 PolarHBondContact OD1-NZ 3.42Å; R153-K512 VanDerWaalsContact NH1-C 3.29Å; R153-K512 PolarHBondContact NH1-O 3.06Å; R153-K512 PolarHBondContact NH2-O 3.05Å; D154-K512 IonicContact OD2-NZ 3.09Å; S509-K512 PolarHBondContact OG-N 3.02Å; K512-C514 PolarHBondContact O-N 2.82Å; K512-C514 VanDerWaalsContact O-N 3.14Å; K512-C514 PolarHBondContact O-SG 3.31Å |
| 513 | H | 76.8 | Confident | 87 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | trans | 48.2 | 35.6 | -177.6 | -53 | -46.7 | 0 | 0 | 0 | 113.9 | R153 L427 Q428 T429 S509 R510 | R153-H513 PolarHBondContact NH1-CD2 3.29Å; L427-H513 WeakPolarHBondContact CD2-O 3.38Å; Q428-H513 PolarHBondContact O-ND1 3.26Å; T429-H513 WeakPolarHBondContact CA-CE1 3.38Å; T429-H513 VanDerWaalsContact CB-CE1 3.44Å; T429-H513 WeakPolarHBondContact CB-CE1 3.25Å; T429-H513 WeakPolarHBondContact CB-NE2 3.45Å; T429-H513 VanDerWaalsContact CG2-CD2 3.46Å; T429-H513 WeakPolarHBondContact CG2-CD2 3.25Å; T429-H513 WeakPolarHBondContact CG2-NE2 3.45Å; S509-H513 VanDerWaalsContact O-CA 3.3Å; S509-H513 WeakPolarHBondContact O-CA 3.35Å; S509-H513 PolarHBondContact O-N 3.4Å; R510-H513 PolarHBondContact O-CE1 3.4Å; R510-H513 PolarHBondContact O-ND1 3.26Å; R510-H513 PolarHBondContact O-NE2 2.86Å | ||
| 514 | C | 84.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -153.3 | 165.1 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | N91 I92 L427 S509 K512 Q516 | N91-C514 PolarHBondContact N-SG 3.22Å; I92-C514 HydrophobicContact CB-CB 4.14Å; I92-C514 HydrophobicContact CG1-CB 4.25Å; L427-C514 HydrophobicContact CD2-CB 4.45Å; S509-C514 PolarHBondContact N-O 3.06Å; K512-C514 PolarHBondContact O-N 2.82Å; K512-C514 VanDerWaalsContact O-N 3.14Å; K512-C514 PolarHBondContact O-SG 3.31Å; C514-Q516 PolarHBondContact O-N 2.84Å; C514-Q516 PolarHBondContact SG-NE2 3.31Å |
| 515 | P | 90.4 | Very high | 86 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 132 | 178 | -29 | 37.4 | 0 | 0 | 0 | 112.6 | L445 V506 Y507 M508 Y518 | L445-P515 HydrophobicContact CD1-CG 4.01Å; L445-P515 HydrophobicContact CD2-CG 3.78Å; L445-P515 HydrophobicContact CG-CG 4.42Å; V506-P515 HydrophobicContact CG1-CB 3.74Å; V506-P515 HydrophobicContact CG1-CG 3.9Å; Y507-P515 CarbonylContact O-C 3.41Å; Y507-P515 VanDerWaalsContact O-CA 3.29Å; Y507-P515 WeakPolarHBondContact O-CA 3.49Å; M508-P515 HydrophobicContact CE-CG 3.96Å; M508-P515 HydrophobicContact SD-CB 4.4Å; M508-P515 HydrophobicContact SD-CG 3.84Å; P515-Y518 HydrophobicContact CB-CE1 4.38Å; P515-Y518 HydrophobicContact CB-CE2 3.74Å; P515-Y518 VanDerWaalsContact CB-OH 3.24Å; P515-Y518 WeakPolarHBondContact CB-OH 3.39Å; P515-Y518 VanDerWaalsContact CG-OH 3.27Å; P515-Y518 WeakPolarHBondContact CG-OH 3.37Å |
| 516 | Q | 91.6 | Very high | 84.6 | Confident | 19 Ų | 19 | 47 Ų | 47 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 6.5 | 174.7 | -62.6 | -57.2 | -60.4 | 0 | 0 | 112.7 | T90 L342 P343 V344 Y507 C514 | T90-Q516 PolarHBondContact OG1-NE2 3.15Å; L342-Q516 WeakPolarHBondContact CB-O 3.22Å; P343-Q516 WeakPolarHBondContact CD-O 3.35Å; P343-Q516 VanDerWaalsContact CD-OE1 3.31Å; P343-Q516 HydrophobicContact CG-CB 4.01Å; P343-Q516 HydrophobicContact CG-CG 4.48Å; V344-Q516 WeakPolarHBondContact CA-O 3.49Å; V344-Q516 WeakPolarHBondContact CB-O 3.34Å; V344-Q516 HydrophobicContact CG2-CB 4.1Å; V344-Q516 PolarHBondContact N-O 3.14Å; Y507-Q516 HydrophobicContact CD1-CB 3.88Å; Y507-Q516 HydrophobicContact CE1-CB 4.49Å; Y507-Q516 PolarHBondContact O-N 3.21Å; C514-Q516 PolarHBondContact O-N 2.84Å; C514-Q516 PolarHBondContact SG-NE2 3.31Å |
| 517 | G | 92.6 | Very high | 83 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 151.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V344 V506 Y507 | V344-G517 WeakPolarHBondContact O-CA 3.17Å; V506-G517 WeakPolarHBondContact CA-O 3.49Å; Y507-G517 PolarHBondContact N-O 3.05Å |
| 518 | Y | 92.8 | Very high | 81.1 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137 | 177.3 | -64.2 | -94.4 | 0 | 0 | 0 | 109.5 | L86 L342 F346 F442 L505 V506 P515 | L86-Y518 HydrophobicContact CB-CE1 4.21Å; L86-Y518 HydrophobicContact CB-CE2 4.11Å; L86-Y518 HydrophobicContact CD1-CE1 4.43Å; L86-Y518 WeakPolarHBondContact O-CE2 3.33Å; L342-Y518 HydrophobicContact CD1-CD2 3.69Å; L342-Y518 HydrophobicContact CD1-CE2 3.62Å; F346-Y518 VanDerWaalsContact CD2-C 3.45Å; F442-Y518 HydrophobicContact CZ-CE1 4.19Å; L505-Y518 CarbonylContact O-C 3.49Å; L505-Y518 WeakPolarHBondContact O-CA 3.31Å; V506-Y518 HydrophobicContact CB-CD1 4.44Å; V506-Y518 HydrophobicContact CB-CE1 4.41Å; V506-Y518 HydrophobicContact CG1-CD1 4.12Å; V506-Y518 HydrophobicContact CG1-CE1 3.75Å; V506-Y518 HydrophobicContact CG2-CD1 3.76Å; V506-Y518 HydrophobicContact CG2-CE1 3.8Å; P515-Y518 HydrophobicContact CB-CE1 4.38Å; P515-Y518 HydrophobicContact CB-CE2 3.74Å; P515-Y518 VanDerWaalsContact CB-OH 3.24Å; P515-Y518 WeakPolarHBondContact CB-OH 3.39Å; P515-Y518 VanDerWaalsContact CG-OH 3.27Å; P515-Y518 WeakPolarHBondContact CG-OH 3.37Å |
| 519 | S | 92.1 | Very high | 79.2 | Confident | 11 Ų | 11 | 62 Ų | 62 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 160.5 | 168.7 | 81.6 | 0 | 0 | 0 | 0 | 110.9 | F346 L505 | F346-S519 VanDerWaalsContact CD2-N 3.31Å; L505-S519 PolarHBondContact N-OG 3.06Å; L505-S519 PolarHBondContact O-N 2.88Å |
| 520 | L | 89 | Confident | 77.3 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 151.1 | 160.5 | -65.4 | -174.1 | 0 | 0 | 0 | 110.3 | D350 F522 | D350-L520 VanDerWaalsContact OD1-CD1 3.3Å; D350-L520 WeakPolarHBondContact OD1-CD1 3.31Å; L520-F522 PolarHBondContact O-N 3.08Å |
| 521 | P | 89.3 | Confident | 75.2 | Confident | 69 Ų | 69 | 75.2 Ų | 75.2 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -55 | 135.6 | 170.7 | -28.7 | 37.3 | 0 | 0 | 0 | 112.2 | G351 A440 F503 | G351-P521 WeakPolarHBondContact CA-O 3.4Å; A440-P521 HydrophobicContact CB-CB 3.76Å; A440-P521 HydrophobicContact CB-CG 4.11Å; F503-P521 CarbonylContact O-C 3.47Å; F503-P521 VanDerWaalsContact O-CA 3.25Å; F503-P521 WeakPolarHBondContact O-CA 3.14Å |
| 522 | F | 88.6 | Confident | 75.2 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.009 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.7 | 177.5 | 68 | -85.6 | 0 | 0 | 0 | 110 | P349 K352 L360 L437 S502 F503 L505 L520 | P349-F522 HydrophobicContact CB-CB 4.17Å; P349-F522 HydrophobicContact CB-CD1 4.36Å; P349-F522 HydrophobicContact CB-CD2 4.02Å; P349-F522 HydrophobicContact CB-CE2 4.48Å; P349-F522 HydrophobicContact CB-CG 3.94Å; P349-F522 HydrophobicContact CG-CB 3.92Å; P349-F522 HydrophobicContact CG-CD1 3.29Å; P349-F522 HydrophobicContact CG-CD2 3.65Å; P349-F522 HydrophobicContact CG-CE1 3.55Å; P349-F522 HydrophobicContact CG-CE2 3.87Å; P349-F522 HydrophobicContact CG-CG 3.34Å; P349-F522 HydrophobicContact CG-CZ 3.8Å; K352-F522 VanDerWaalsContact O-CB 3.29Å; K352-F522 WeakPolarHBondContact O-CB 3.35Å; L360-F522 HydrophobicContact CD1-CE2 4.05Å; L360-F522 HydrophobicContact CD2-CE2 3.67Å; L360-F522 HydrophobicContact CD2-CZ 3.65Å; L437-F522 HydrophobicContact CD1-CE1 4.13Å; L437-F522 HydrophobicContact CD1-CE2 4.32Å; L437-F522 HydrophobicContact CD1-CZ 3.44Å; L437-F522 VanDerWaalsContact CD1-CZ 3.44Å; S502-F522 CarbonylContact C-O 3.56Å; S502-F522 VanDerWaalsContact CA-O 3.26Å; S502-F522 WeakPolarHBondContact CA-O 3.47Å; F503-F522 HydrophobicContact CB-CE1 4.06Å; F503-F522 HydrophobicContact CB-CE2 4.37Å; F503-F522 HydrophobicContact CB-CZ 3.96Å; F503-F522 PolarHBondContact N-O 3.04Å; F503-F522 WeakPolarHBondContact O-CD1 3.35Å; F503-F522 WeakPolarHBondContact O-CE1 3.46Å; F503-F522 PolarHBondContact O-N 3.28Å; L505-F522 HydrophobicContact CD2-CE1 4.09Å; L505-F522 HydrophobicContact CD2-CZ 4.02Å; L505-F522 HydrophobicContact CG-CE1 3.83Å; L505-F522 HydrophobicContact CG-CZ 4.22Å; L520-F522 PolarHBondContact O-N 3.08Å |
| 523 | K | 85.6 | Confident | 75.1 | Confident | 124 Ų | 124 | 72.8 Ų | 72.8 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.8 | -174.1 | -76.5 | -175.4 | 179.3 | -172.8 | 0 | 112.4 | K352 A353 Y354 S502 | K352-K523 PolarHBondContact O-N 3.27Å; A353-K523 CarbonylContact C-O 3.43Å; A353-K523 VanDerWaalsContact CA-O 3.28Å; A353-K523 WeakPolarHBondContact CA-O 3.32Å; Y354-K523 PolarHBondContact N-O 2.81Å; S502-K523 WeakPolarHBondContact OG-CE 3.38Å; S502-K523 WeakPolarHBondContact OG-CG 3.47Å |
| 524 | I | 79.5 | Confident | 75.1 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109.6 | 166.1 | -59.4 | 178.7 | 0 | 0 | 0 | 107.8 | Y354 F356 L495 L498 G500 Q501 F503 | Y354-I524 CarbonylContact O-C 3.6Å; Y354-I524 WeakPolarHBondContact O-CA 3.01Å; F356-I524 HydrophobicContact CB-CG2 3.64Å; L495-I524 HydrophobicContact CB-CD1 4.29Å; L495-I524 HydrophobicContact CD2-CD1 3.88Å; L495-I524 HydrophobicContact CG-CD1 4.5Å; L498-I524 HydrophobicContact CB-CD1 3.81Å; L498-I524 HydrophobicContact CD1-CD1 4.07Å; G500-I524 WeakPolarHBondContact CA-O 3.36Å; G500-I524 PolarHBondContact N-O 2.98Å; Q501-I524 PolarHBondContact O-N 3.24Å; Q501-I524 VanDerWaalsContact O-N 3.1Å; F503-I524 HydrophobicContact CD2-CD1 3.65Å; F503-I524 HydrophobicContact CD2-CG1 3.87Å; F503-I524 HydrophobicContact CE2-CB 4.46Å; F503-I524 HydrophobicContact CE2-CD1 3.57Å; F503-I524 HydrophobicContact CE2-CG1 4.01Å; F503-I524 HydrophobicContact CZ-CD1 4.49Å |
| 525 | R | 75.5 | Confident | 74.5 | Confident | 152 Ų | 152 | 79.8 Ų | 79.8 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 130.5 | -179.8 | -66.4 | -173.8 | 172 | 168.2 | 4.2 | 110.8 | A353 Y354 F356 V527 | A353-R525 HydrophobicContact CB-CG 3.75Å; Y354-R525 PolarHBondContact O-N 3.5Å; F356-R525 WeakPolarHBondContact CD1-O 3.37Å; F356-R525 PolarHBondContact N-O 2.78Å; R525-V527 VanDerWaalsContact C-N 3.32Å; R525-V527 HydrophobicContact CB-CG2 4.06Å; R525-V527 PolarHBondContact O-N 3.11Å; R525-V527 VanDerWaalsContact O-N 3.15Å |
| 526 | T | 62.8 | Low | 73.5 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | trans | -73.7 | 85.6 | 154.2 | -9.8 | 0 | 0 | 0 | 0 | 107 | P499 S528 | P499-T526 HydrophobicContact CB-CG2 3.53Å; P499-T526 HydrophobicContact CG-CG2 4.22Å; T526-S528 PolarHBondContact O-N 2.99Å | ||
| 527 | V | 57.4 | Low | 72.3 | Confident | 78 Ų | 78 | 89.1 Ų | 89.1 | 47% | 0.473 | 47% | 0.47 | S | S | . | . | trans | -69.4 | 106.1 | 170.4 | -177.9 | 0 | 0 | 0 | 0 | 106.4 | R525 L529 | R525-V527 VanDerWaalsContact C-N 3.32Å; R525-V527 HydrophobicContact CB-CG2 4.06Å; R525-V527 PolarHBondContact O-N 3.11Å; R525-V527 VanDerWaalsContact O-N 3.15Å; V527-L529 PolarHBondContact O-N 2.74Å; V527-L529 VanDerWaalsContact O-N 3.15Å | ||
| 528 | S | 52 | Low | 70.9 | Confident | 103 Ų | 103 | 95.4 Ų | 95.4 | 72% | 0.72 | 50% | 0.503 | S | S | * | . | trans | -53.7 | 118.9 | 159.6 | -162.5 | 0 | 0 | 0 | 0 | 105.5 | T526 K530 | T526-S528 PolarHBondContact O-N 2.99Å; S528-K530 PolarHBondContact O-N 2.73Å | ||
| 529 | L | 47.4 | Very low | 69.2 | Low | 151 Ų | 151 | 99.9 Ų | 99.9 | 79% | 0.791 | 53% | 0.531 | S | S | * | . | trans | -46.9 | 114.8 | 163 | -78.5 | 152.1 | 0 | 0 | 0 | 105.3 | V527 T531 | V527-L529 PolarHBondContact O-N 2.74Å; V527-L529 VanDerWaalsContact O-N 3.15Å; L529-T531 PolarHBondContact O-N 2.78Å | ||
| 530 | K | 44.3 | Very low | 67.3 | Low | 208 Ų | 208 | 107.3 Ų | 107.3 | 90% | 0.904 | 57% | 0.568 | S | S | * | * | trans | -61.1 | 98.9 | 161.2 | -81.1 | -175.1 | 173.9 | -175.4 | 0 | 104 | S528 | S528-K530 PolarHBondContact O-N 2.73Š| ||
| 531 | T | 35.9 | Very low | 65.3 | Low | 203 Ų | 203 | 107.5 Ų | 107.5 | 100% | 1.245 | 57% | 0.57 | S | S | * | * | trans | -63.5 | 0 | 158 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | L529 | L529-T531 PolarHBondContact O-N 2.78Š|
Retrieved 531 of 531 residues in 959.1 ms
(Link to these results)