| 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 | 43.1 | Very low | 76.1 | Confident | 228 Ų | 228 | 77.5 Ų | 77.5 | 100% | 1.123 | 45% | 0.446 | S | S | * | . | 0 | 136.1 | 0 | -77.5 | 157.1 | 161 | 0 | 0 | 106.9 | |||||
| 2 | V | 47.4 | Very low | 78 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | trans | -67.3 | 143.7 | 170.6 | -176 | 0 | 0 | 0 | 0 | 106.9 | A4 | V2-A4 PolarHBondContact O-N 3.47Š| ||
| 3 | D | 55.4 | Low | 79.6 | Confident | 149 Ų | 149 | 66.2 Ų | 66.2 | 80% | 0.797 | 38% | 0.38 | S | S | * | . | trans | -39.8 | 104.2 | -167.2 | -61.4 | -43.9 | 0 | 0 | 0 | 113.8 | A5 | D3-A5 PolarHBondContact O-N 3.09Š| ||
| 4 | A | 65.8 | Low | 80.9 | Confident | 57 Ų | 57 | 63 Ų | 63 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -75 | 116.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | V2 T329 C331 | V2-A4 PolarHBondContact O-N 3.47Å; A4-T329 HydrophobicContact CB-CG2 3.77Å; A4-C331 VanDerWaalsContact CB-SG 3.55Å |
| 5 | A | 76.8 | Confident | 82.1 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D3 V330 | D3-A5 PolarHBondContact O-N 3.09Å; A5-V330 HydrophobicContact CB-CG2 4.13Å; A5-V330 PolarHBondContact N-O 3.05Å; A5-V330 WeakPolarHBondContact O-CG2 3.33Å; A5-V330 PolarHBondContact O-N 3.27Å |
| 6 | E | 83.1 | Confident | 83 | Confident | 124 Ų | 124 | 57.6 Ų | 57.6 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.8 | 171.1 | -160.8 | -177.8 | -164.7 | 0 | 0 | 109.4 | K327 N328 | E6-K327 HydrophobicContact CG-CB 3.94Å; E6-K327 HydrophobicContact CG-CG 4.13Å; E6-K327 VanDerWaalsContact OE1-CB 3.29Å; E6-K327 WeakPolarHBondContact OE1-CB 3.49Å; E6-K327 WeakPolarHBondContact OE1-CD 3.46Å; E6-K327 WeakPolarHBondContact OE1-CE 3.18Å; E6-K327 VanDerWaalsContact OE1-CG 3.32Å; E6-K327 WeakPolarHBondContact OE1-CG 3.29Å; E6-K327 IonicContact OE1-NZ 3.54Å; E6-K327 PolarHBondContact OE1-NZ 2.93Å; E6-K327 IonicContact OE2-NZ 3.25Å; E6-K327 PolarHBondContact OE2-NZ 3.3Å; E6-N328 CarbonylContact C-O 3.53Å; E6-N328 WeakPolarHBondContact CA-O 3.4Å |
| 7 | C | 87 | Confident | 83.9 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 127.2 | -178 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | N328 V330 | C7-N328 PolarHBondContact N-O 3.45Å; C7-N328 PolarHBondContact O-N 3.38Å; C7-V330 HydrophobicContact CB-CG1 4.29Å; C7-V330 HydrophobicContact CB-CG2 4.13Å |
| 8 | G | 90.1 | Very high | 84.5 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 149.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | K10 I326 | G8-K10 PolarHBondContact O-N 2.92Å; G8-I326 WeakPolarHBondContact CA-O 3.49Å |
| 9 | V | 94.5 | Very high | 84.9 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 123.9 | 169.4 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | V11 T297 I299 I326 | V9-V11 HydrophobicContact CG1-CG2 4.41Å; V9-T297 HydrophobicContact CG1-CG2 4.02Å; V9-T297 HydrophobicContact CG2-CG2 4.45Å; V9-I299 HydrophobicContact CG1-CD1 3.69Å; V9-I299 HydrophobicContact CG1-CG1 3.99Å; V9-I326 HydrophobicContact CB-CB 4.4Å; V9-I326 HydrophobicContact CG2-CB 3.8Å; V9-I326 HydrophobicContact CG2-CG2 3.83Å; V9-I326 PolarHBondContact N-O 3.25Å |
| 10 | K | 96.6 | Very high | 85.3 | Confident | 91 Ų | 91 | 63.1 Ų | 63.1 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.9 | 175.9 | -68.8 | -175 | 178.8 | -179.6 | 0 | 110.2 | G8 M12 T297 T298 I299 | G8-K10 PolarHBondContact O-N 2.92Å; K10-M12 HydrophobicContact CB-CE 4.25Å; K10-M12 HydrophobicContact CD-CE 4.3Å; K10-T297 PolarHBondContact N-O 3.45Å; K10-T298 CarbonylContact O-C 3.58Å; K10-T298 WeakPolarHBondContact O-CA 3.22Å; K10-I299 PolarHBondContact O-N 3.27Å |
| 11 | V | 97.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.3 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | V9 F48 D49 I299 I301 A323 K324 | V9-V11 HydrophobicContact CG1-CG2 4.41Å; V11-F48 HydrophobicContact CB-CD1 4.16Å; V11-F48 HydrophobicContact CG1-CD1 3.61Å; V11-F48 HydrophobicContact CG1-CE1 4.09Å; V11-F48 WeakPolarHBondContact O-CB 3.43Å; V11-D49 PolarHBondContact N-OD2 3.44Å; V11-D49 WeakPolarHBondContact O-CB 3.27Å; V11-D49 PolarHBondContact O-N 3.28Å; V11-I299 CarbonylContact C-O 3.53Å; V11-I299 WeakPolarHBondContact CA-O 3.2Å; V11-I299 HydrophobicContact CG2-CB 4.4Å; V11-I301 HydrophobicContact CG1-CD1 4.27Å; V11-I301 HydrophobicContact CG1-CG1 4.44Å; V11-I301 HydrophobicContact CG1-CG2 4.36Å; V11-A323 HydrophobicContact CG2-CB 4.29Å; V11-K324 HydrophobicContact CB-CB 4.37Å; V11-K324 HydrophobicContact CG2-CB 3.8Å; V11-K324 HydrophobicContact CG2-CG 4.46Å |
| 12 | M | 98.1 | Very high | 88 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.2 | 178.9 | -51.2 | -58.4 | -175.4 | 0 | 0 | 108.9 | K10 D49 R50 C65 T298 I299 I300 I301 | K10-M12 HydrophobicContact CB-CE 4.25Å; K10-M12 HydrophobicContact CD-CE 4.3Å; M12-D49 HydrophobicContact CE-CB 4.06Å; M12-D49 HydrophobicContact SD-CB 3.79Å; M12-R50 HydrophobicContact SD-CB 3.66Å; M12-R50 HydrophobicContact SD-CG 4.01Å; M12-C65 HydrophobicContact CG-CB 4.4Å; M12-T298 HydrophobicContact CG-CG2 3.96Å; M12-I299 PolarHBondContact N-O 3.03Å; M12-I300 HydrophobicContact CB-CG1 4.45Å; M12-I300 CarbonylContact O-C 3.55Å; M12-I300 WeakPolarHBondContact O-CA 3.47Å; M12-I301 WeakPolarHBondContact O-CG1 3.36Å; M12-I301 PolarHBondContact O-N 3.45Å |
| 13 | C | 98.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.9 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | F15 F48 R50 V51 L52 I301 L317 | C13-F15 WeakPolarHBondContact SG-CE2 3.4Å; C13-F48 HydrophobicContact CB-CD2 3.66Å; C13-F48 HydrophobicContact CB-CE2 4.03Å; C13-F48 HydrophobicContact CB-CG 4.08Å; C13-R50 PolarHBondContact N-O 3.04Å; C13-V51 HydrophobicContact CB-CG2 4.1Å; C13-V51 CarbonylContact O-C 3.56Å; C13-V51 WeakPolarHBondContact O-CA 3.46Å; C13-L52 PolarHBondContact O-N 3.28Å; C13-I301 CarbonylContact C-O 3.59Å; C13-I301 HydrophobicContact CB-CD1 3.96Å; C13-I301 HydrophobicContact CB-CG1 3.78Å; C13-L317 WeakPolarHBondContact SG-CD2 3.41Å |
| 14 | R | 98.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123 | -178.9 | -170.8 | -177.8 | -176.6 | 179.7 | 6.3 | 111.2 | L52 Q58 T94 I300 I301 C302 C303 | R14-L52 HydrophobicContact CB-CB 4.35Å; R14-L52 HydrophobicContact CB-CD1 4.44Å; R14-L52 HydrophobicContact CG-CB 4.24Å; R14-Q58 VanDerWaalsContact CZ-OE1 3.24Å; R14-T94 WeakPolarHBondContact CD-OG1 3.23Å; R14-T94 VanDerWaalsContact NH1-CA 3.29Å; R14-T94 VanDerWaalsContact NH1-CB 3.33Å; R14-T94 PolarHBondContact NH1-OG1 3.15Å; R14-I300 HydrophobicContact CB-CG2 4.13Å; R14-I301 PolarHBondContact N-O 2.9Å; R14-C302 CarbonylContact O-C 3.59Å; R14-C302 WeakPolarHBondContact O-CA 3.26Å; R14-C303 PolarHBondContact O-N 3.15Å |
| 15 | F | 98.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.1 | 167.9 | -77 | -96.2 | 0 | 0 | 0 | 109.8 | C13 P31 F33 V39 I41 L52 P54 C303 P305 T313 | C13-F15 WeakPolarHBondContact SG-CE2 3.4Å; F15-P31 HydrophobicContact CD1-CB 4.13Å; F15-P31 HydrophobicContact CD1-CG 3.84Å; F15-P31 HydrophobicContact CE1-CB 3.78Å; F15-P31 HydrophobicContact CE1-CG 3.9Å; F15-P31 HydrophobicContact CZ-CB 4.06Å; F15-F33 HydrophobicContact CB-CE1 4.47Å; F15-F33 HydrophobicContact CB-CZ 4.04Å; F15-F33 AromaticContact CD2-CE1 3.61Å; F15-F33 HydrophobicContact CD2-CE1 3.61Å; F15-F33 AromaticContact CD2-CZ 3.99Å; F15-F33 HydrophobicContact CD2-CZ 3.99Å; F15-F33 HydrophobicContact CE2-CE1 4.05Å; F15-F33 HydrophobicContact CG-CE1 4.09Å; F15-F33 AromaticContact CG-CZ 3.98Å; F15-F33 HydrophobicContact CG-CZ 3.98Å; F15-V39 HydrophobicContact CE2-CB 4.22Å; F15-V39 HydrophobicContact CE2-CG1 4.12Å; F15-V39 HydrophobicContact CE2-CG2 3.79Å; F15-V39 HydrophobicContact CZ-CG1 4.42Å; F15-V39 HydrophobicContact CZ-CG2 3.9Å; F15-I41 HydrophobicContact CE1-CD1 4.35Å; F15-I41 HydrophobicContact CZ-CD1 4.07Å; F15-L52 PolarHBondContact N-O 3.3Å; F15-P54 HydrophobicContact CB-CG 4.18Å; F15-P54 VanDerWaalsContact O-CA 3.3Å; F15-P54 WeakPolarHBondContact O-CA 3.45Å; F15-C303 HydrophobicContact CD1-CB 3.7Å; F15-C303 HydrophobicContact CD2-CB 4.4Å; F15-C303 HydrophobicContact CE1-CB 3.44Å; F15-C303 VanDerWaalsContact CE1-CB 3.44Å; F15-C303 HydrophobicContact CE2-CB 4.19Å; F15-C303 HydrophobicContact CG-CB 4.18Å; F15-C303 HydrophobicContact CZ-CB 3.71Å; F15-P305 HydrophobicContact CD1-CB 4.3Å; F15-T313 HydrophobicContact CE1-CG2 3.98Å; F15-T313 HydrophobicContact CZ-CG2 4.12Å |
| 16 | R | 97.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 165.3 | 167.1 | 63.6 | 156.9 | 176.5 | 80.4 | -2.5 | 111.2 | N19 E22 S88 C303 S304 P305 | R16-N19 PolarHBondContact NH2-ND2 3.18Å; R16-E22 IonicContact CZ-OE1 3.29Å; R16-E22 IonicContact CZ-OE2 3.77Å; R16-E22 IonicContact NH1-OE1 3.96Å; R16-E22 IonicContact NH1-OE2 2.67Å; R16-E22 PolarHBondContact NH1-OE2 3.42Å; R16-E22 VanDerWaalsContact NH2-CD 3.33Å; R16-E22 IonicContact NH2-OE1 3.82Å; R16-E22 PolarHBondContact NH2-OE1 3.26Å; R16-E22 IonicContact NH2-OE2 2.86Å; R16-E22 PolarHBondContact NH2-OE2 3.41Å; R16-S88 PolarHBondContact NE-O 3.18Å; R16-S88 PolarHBondContact NH2-O 2.91Å; R16-C303 PolarHBondContact N-O 2.93Å; R16-S304 PolarHBondContact NH2-OG 3.08Å; R16-P305 WeakPolarHBondContact O-CD 3.4Å; R16-P305 VanDerWaalsContact O-CG 3.24Å; R16-P305 WeakPolarHBondContact O-CG 3.4Å |
| 17 | P | 97.1 | Very high | 95 | Very high | 79 Ų | 79 | 51.2 Ų | 51.2 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 161.2 | 165 | -22.2 | 33.8 | 0 | 0 | 0 | 112.2 | P54 | P17-P54 HydrophobicContact CB-CB 4.42Å; P17-P54 HydrophobicContact CG-CB 4.04Å |
| 18 | L | 95.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 137.2 | 165.1 | -72.1 | 169 | 0 | 0 | 0 | 109.2 | E22 I23 Y29 P305 | L18-E22 WeakPolarHBondContact CA-OE2 3.39Å; L18-E22 HydrophobicContact CD2-CB 4.07Å; L18-I23 HydrophobicContact CB-CD1 4.24Å; L18-I23 HydrophobicContact CB-CG1 3.88Å; L18-Y29 HydrophobicContact CD1-CD2 4.2Å; L18-Y29 HydrophobicContact CG-CD2 4.22Å; L18-P305 HydrophobicContact CD2-CG 3.82Å; L18-P305 HydrophobicContact CG-CG 3.92Å |
| 19 | N | 92.7 | Very high | 95.7 | Very high | 57 Ų | 57 | 60 Ų | 60 | 31% | 0.305 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 167.3 | 174.9 | 68.6 | 37 | 0 | 0 | 0 | 111 | R16 A21 E22 I23 | R16-N19 PolarHBondContact NH2-ND2 3.18Å; N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 3.45Å; N19-A21 PolarHBondContact OD1-N 2.95Å; N19-E22 PolarHBondContact N-OE2 2.9Å; N19-E22 PolarHBondContact O-N 3.18Å; N19-E22 WeakPolarHBondContact OD1-CB 3.44Å; N19-E22 VanDerWaalsContact OD1-CG 3.24Å; N19-E22 WeakPolarHBondContact OD1-CG 3.49Å; N19-E22 PolarHBondContact OD1-N 3.41Å; N19-I23 WeakPolarHBondContact O-CG1 3.33Å; N19-I23 PolarHBondContact O-N 3.37Å |
| 20 | E | 92.5 | Very high | 95.8 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.6 | -41.5 | -177.2 | -65.5 | -161.7 | 157 | 0 | 0 | 112.8 | E22 I23 T24 | E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 2.69Å; E20-I23 PolarHBondContact O-N 3.09Å; E20-I23 VanDerWaalsContact O-N 3.16Å; E20-T24 WeakPolarHBondContact O-CB 3.48Å; E20-T24 PolarHBondContact O-N 3.04Å; E20-T24 PolarHBondContact O-OG1 3.46Å |
| 21 | A | 90.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | N19 R25 | N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 3.45Å; N19-A21 PolarHBondContact OD1-N 2.95Å; A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.35Å; A21-R25 PolarHBondContact O-N 2.89Å |
| 22 | E | 94.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.019 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 174.5 | -69.9 | 167.9 | 157.7 | 0 | 0 | 111.2 | R16 L18 N19 E20 R25 G26 D27 S304 N309 | R16-E22 IonicContact CZ-OE1 3.29Å; R16-E22 IonicContact CZ-OE2 3.77Å; R16-E22 IonicContact NH1-OE1 3.96Å; R16-E22 IonicContact NH1-OE2 2.67Å; R16-E22 PolarHBondContact NH1-OE2 3.42Å; R16-E22 VanDerWaalsContact NH2-CD 3.33Å; R16-E22 IonicContact NH2-OE1 3.82Å; R16-E22 PolarHBondContact NH2-OE1 3.26Å; R16-E22 IonicContact NH2-OE2 2.86Å; R16-E22 PolarHBondContact NH2-OE2 3.41Å; L18-E22 WeakPolarHBondContact CA-OE2 3.39Å; L18-E22 HydrophobicContact CD2-CB 4.07Å; N19-E22 PolarHBondContact N-OE2 2.9Å; N19-E22 PolarHBondContact O-N 3.18Å; N19-E22 WeakPolarHBondContact OD1-CB 3.44Å; N19-E22 VanDerWaalsContact OD1-CG 3.24Å; N19-E22 WeakPolarHBondContact OD1-CG 3.49Å; N19-E22 PolarHBondContact OD1-N 3.41Å; E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 2.69Å; E22-R25 PolarHBondContact O-N 3.4Å; E22-G26 PolarHBondContact O-N 2.91Å; E22-D27 HydrophobicContact CB-CB 4.12Å; E22-D27 WeakPolarHBondContact CB-OD2 3.49Å; E22-D27 WeakPolarHBondContact CG-OD2 3.4Å; E22-D27 VanDerWaalsContact O-CB 3.26Å; E22-D27 WeakPolarHBondContact O-CB 3.29Å; E22-D27 PolarHBondContact O-N 3.05Å; E22-S304 PolarHBondContact OE1-OG 2.98Å; E22-N309 PolarHBondContact OE1-ND2 3.4Å; E22-N309 VanDerWaalsContact OE1-ND2 3.09Å |
| 23 | I | 94.9 | Very high | 95.8 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -48 | 176.9 | -65.6 | 166.6 | 0 | 0 | 0 | 110.5 | L18 N19 E20 R25 G26 | L18-I23 HydrophobicContact CB-CD1 4.24Å; L18-I23 HydrophobicContact CB-CG1 3.88Å; N19-I23 WeakPolarHBondContact O-CG1 3.33Å; N19-I23 PolarHBondContact O-N 3.37Å; E20-I23 PolarHBondContact O-N 3.09Å; E20-I23 VanDerWaalsContact O-N 3.16Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 2.99Å; I23-G26 WeakPolarHBondContact O-CA 3.28Å; I23-G26 PolarHBondContact O-N 2.93Å |
| 24 | T | 95.6 | Very high | 95.6 | Very high | 124 Ų | 124 | 73.3 Ų | 73.3 | 76% | 0.761 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.3 | -35.9 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 112 | E20 G26 | E20-T24 WeakPolarHBondContact O-CB 3.48Å; E20-T24 PolarHBondContact O-N 3.04Å; E20-T24 PolarHBondContact O-OG1 3.46Å; T24-G26 PolarHBondContact O-N 3.49Å |
| 25 | R | 93.9 | Very high | 95.3 | Very high | 125 Ų | 125 | 80.2 Ų | 80.2 | 47% | 0.472 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.4 | -15.6 | 173.4 | -174.2 | 166.8 | 58.7 | -137.7 | -1.7 | 113 | A21 E22 I23 D27 | A21-R25 VanDerWaalsContact O-CB 3.27Å; A21-R25 WeakPolarHBondContact O-CB 3.35Å; A21-R25 PolarHBondContact O-N 2.89Å; E22-R25 PolarHBondContact O-N 3.4Å; I23-R25 VanDerWaalsContact C-N 3.3Å; I23-R25 PolarHBondContact O-N 2.99Å; R25-D27 WeakPolarHBondContact CG-OD1 3.25Å; R25-D27 IonicContact CZ-OD1 3.97Å; R25-D27 IonicContact CZ-OD2 2.78Å; R25-D27 IonicContact NE-OD1 3.74Å; R25-D27 PolarHBondContact NE-OD1 3.31Å; R25-D27 IonicContact NE-OD2 3.38Å; R25-D27 PolarHBondContact NE-OD2 2.95Å; R25-D27 IonicContact NH2-OD1 2.74Å; R25-D27 IonicContact NH2-OD2 3.46Å; R25-D27 PolarHBondContact NH2-OD2 3.35Å |
| 26 | G | 95.3 | Very high | 95.1 | Very high | 56 Ų | 56 | 85.1 Ų | 85.1 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 25.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E22 I23 T24 | E22-G26 PolarHBondContact O-N 2.91Å; I23-G26 WeakPolarHBondContact O-CA 3.28Å; I23-G26 PolarHBondContact O-N 2.93Å; T24-G26 PolarHBondContact O-N 3.49Å |
| 27 | D | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 85.7 Ų | 85.7 | 11% | 0.112 | 44% | 0.437 | C | S | . | . | trans | -64.6 | 137.4 | -179.7 | -69.4 | -4 | 0 | 0 | 0 | 111.3 | E22 R25 S306 V307 | E22-D27 HydrophobicContact CB-CB 4.12Å; E22-D27 WeakPolarHBondContact CB-OD2 3.49Å; E22-D27 WeakPolarHBondContact CG-OD2 3.4Å; E22-D27 VanDerWaalsContact O-CB 3.26Å; E22-D27 WeakPolarHBondContact O-CB 3.29Å; E22-D27 PolarHBondContact O-N 3.05Å; R25-D27 WeakPolarHBondContact CG-OD1 3.25Å; R25-D27 IonicContact CZ-OD1 3.97Å; R25-D27 IonicContact CZ-OD2 2.78Å; R25-D27 IonicContact NE-OD1 3.74Å; R25-D27 PolarHBondContact NE-OD1 3.31Å; R25-D27 IonicContact NE-OD2 3.38Å; R25-D27 PolarHBondContact NE-OD2 2.95Å; R25-D27 IonicContact NH2-OD1 2.74Å; R25-D27 IonicContact NH2-OD2 3.46Å; R25-D27 PolarHBondContact NH2-OD2 3.35Å; D27-S306 WeakPolarHBondContact CB-OG 3.38Å; D27-S306 WeakPolarHBondContact OD2-CB 3.47Å; D27-S306 PolarHBondContact OD2-OG 3.33Å; D27-V307 HydrophobicContact CB-CG1 4.41Å | ||
| 28 | K | 95.1 | Very high | 95.1 | Very high | 158 Ų | 158 | 82.8 Ų | 82.8 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | trans | -85.3 | 142.5 | 176.3 | -64.5 | -177.9 | -178.7 | 176.9 | 0 | 111.1 | I30 V307 | K28-I30 PolarHBondContact O-N 2.96Å; K28-V307 HydrophobicContact CB-CB 4.41Å; K28-V307 HydrophobicContact CB-CG1 4.27Å; K28-V307 PolarHBondContact O-N 2.93Å | ||
| 29 | Y | 96.6 | Very high | 95.2 | Very high | 101 Ų | 101 | 80.9 Ų | 80.9 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 114.7 | 169.7 | -169.6 | -86.5 | 0 | 0 | 0 | 110.2 | L18 P31 F33 P54 P305 | L18-Y29 HydrophobicContact CD1-CD2 4.2Å; L18-Y29 HydrophobicContact CG-CD2 4.22Å; Y29-P31 HydrophobicContact CD1-CG 4.24Å; Y29-P31 HydrophobicContact CE1-CG 3.58Å; Y29-P31 WeakPolarHBondContact CE1-O 3.47Å; Y29-P31 HydrophobicContact CE2-CG 4.23Å; Y29-P31 WeakPolarHBondContact OH-CG 3.44Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.48Å; Y29-F33 WeakPolarHBondContact OH-CZ 3.46Å; Y29-P54 HydrophobicContact CE2-CG 3.95Å; Y29-P54 WeakPolarHBondContact OH-CD 3.45Å; Y29-P54 WeakPolarHBondContact OH-CG 3.46Å; Y29-P305 HydrophobicContact CD2-CB 3.59Å; Y29-P305 HydrophobicContact CD2-CG 4.02Å; Y29-P305 HydrophobicContact CE2-CB 3.32Å; Y29-P305 HydrophobicContact CE2-CG 3.83Å; Y29-P305 HydrophobicContact CG-CB 4.41Å |
| 30 | I | 97 | Very high | 95.4 | Very high | 28 Ų | 28 | 78.9 Ų | 78.9 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | trans | -99.4 | -31.3 | -173.9 | 70 | 178.2 | 0 | 0 | 0 | 117.2 | K28 I41 P305 V307 E310 | K28-I30 PolarHBondContact O-N 2.96Å; I30-I41 HydrophobicContact CD1-CG2 3.98Å; I30-P305 WeakPolarHBondContact CG1-O 3.31Å; I30-P305 PolarHBondContact N-O 2.91Å; I30-V307 HydrophobicContact CG2-CB 3.62Å; I30-V307 HydrophobicContact CG2-CG2 4.02Å; I30-E310 HydrophobicContact CD1-CB 3.77Å; I30-E310 HydrophobicContact CD1-CG 3.84Å | ||
| 31 | P | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.032 | 36% | 0.362 | C | S | . | . | trans | -75.9 | 137.5 | -170.6 | 28.9 | -32.9 | 0 | 0 | 0 | 111.7 | F15 Y29 F33 V39 I41 P305 | F15-P31 HydrophobicContact CD1-CB 4.13Å; F15-P31 HydrophobicContact CD1-CG 3.84Å; F15-P31 HydrophobicContact CE1-CB 3.78Å; F15-P31 HydrophobicContact CE1-CG 3.9Å; F15-P31 HydrophobicContact CZ-CB 4.06Å; Y29-P31 HydrophobicContact CD1-CG 4.24Å; Y29-P31 HydrophobicContact CE1-CG 3.58Å; Y29-P31 WeakPolarHBondContact CE1-O 3.47Å; Y29-P31 HydrophobicContact CE2-CG 4.23Å; Y29-P31 WeakPolarHBondContact OH-CG 3.44Å; P31-F33 HydrophobicContact CB-CE1 4.31Å; P31-F33 HydrophobicContact CB-CZ 4.11Å; P31-F33 HydrophobicContact CG-CZ 4.13Å; P31-V39 HydrophobicContact CB-CG2 3.79Å; P31-I41 HydrophobicContact CB-CD1 3.59Å; P31-P305 WeakPolarHBondContact CD-O 3.31Å; P31-P305 HydrophobicContact CG-CB 3.68Å | ||
| 32 | K | 97.4 | Very high | 95.7 | Very high | 153 Ų | 153 | 71.8 Ų | 71.8 | 67% | 0.665 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.9 | 171.5 | -62.5 | -179.9 | -179.2 | -178 | 0 | 109 | V40 | K32-V40 HydrophobicContact CB-CB 4.29Å; K32-V40 PolarHBondContact N-O 3.3Å; K32-V40 PolarHBondContact O-N 3.5Å |
| 33 | F | 96.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.7 | 179.1 | -52.8 | -68.1 | 0 | 0 | 0 | 110.3 | F15 Y29 P31 V39 V51 P53 P54 | F15-F33 HydrophobicContact CB-CE1 4.47Å; F15-F33 HydrophobicContact CB-CZ 4.04Å; F15-F33 AromaticContact CD2-CE1 3.61Å; F15-F33 HydrophobicContact CD2-CE1 3.61Å; F15-F33 AromaticContact CD2-CZ 3.99Å; F15-F33 HydrophobicContact CD2-CZ 3.99Å; F15-F33 HydrophobicContact CE2-CE1 4.05Å; F15-F33 HydrophobicContact CG-CE1 4.09Å; F15-F33 AromaticContact CG-CZ 3.98Å; F15-F33 HydrophobicContact CG-CZ 3.98Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.48Å; Y29-F33 WeakPolarHBondContact OH-CZ 3.46Å; P31-F33 HydrophobicContact CB-CE1 4.31Å; P31-F33 HydrophobicContact CB-CZ 4.11Å; P31-F33 HydrophobicContact CG-CZ 4.13Å; F33-V39 HydrophobicContact CD1-CB 4.27Å; F33-V39 HydrophobicContact CD1-CG2 3.98Å; F33-V39 HydrophobicContact CE1-CB 4.45Å; F33-V39 HydrophobicContact CE1-CG2 3.9Å; F33-V51 HydrophobicContact CD1-CG1 3.52Å; F33-V51 HydrophobicContact CE1-CG1 3.74Å; F33-P53 HydrophobicContact CD2-CB 3.85Å; F33-P53 HydrophobicContact CE1-CB 4.43Å; F33-P53 HydrophobicContact CE2-CB 3.67Å; F33-P53 HydrophobicContact CG-CB 4.29Å; F33-P53 HydrophobicContact CZ-CB 4.01Å; F33-P54 HydrophobicContact CE2-CG 4.49Å |
| 34 | K | 94 | Very high | 95.6 | Very high | 129 Ų | 129 | 74.5 Ų | 74.5 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.1 | 172.3 | -70.2 | -172.3 | 174.2 | -171.7 | 0 | 106.8 | T38 V40 | K34-T38 HydrophobicContact CB-CG2 4.29Å; K34-T38 PolarHBondContact N-O 3.4Å; K34-T38 VanDerWaalsContact O-CB 3.3Å; K34-T38 WeakPolarHBondContact O-CB 3.45Å; K34-T38 PolarHBondContact O-N 2.97Å; K34-V40 HydrophobicContact CD-CG2 3.92Å; K34-V40 HydrophobicContact CG-CG2 4.25Å |
| 35 | E | 92.4 | Very high | 95.7 | Very high | 167 Ų | 167 | 72.3 Ų | 72.3 | 78% | 0.78 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | -157.4 | -176.3 | -57.1 | 172.9 | -160.8 | 0 | 0 | 110.4 | ||
| 36 | D | 94.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 66.6 Ų | 66.6 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.2 | -177.5 | -64.6 | -15.1 | 0 | 0 | 0 | 113.4 | R50 V51 | D36-R50 CarbonylContact O-C 3.48Å; D36-R50 WeakPolarHBondContact O-CA 3.33Å; D36-R50 IonicContact OD2-CZ 2.63Å; D36-R50 IonicContact OD2-NH1 3.45Å; D36-R50 PolarHBondContact OD2-NH1 3.49Å; D36-V51 PolarHBondContact O-N 3.07Å |
| 37 | D | 96.7 | Very high | 96 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -6.4 | -169.9 | 74.2 | -9.3 | 0 | 0 | 0 | 113.9 | V47 F48 V51 | D37-V47 WeakPolarHBondContact O-CA 3.2Å; D37-F48 PolarHBondContact O-N 2.94Å; D37-V51 WeakPolarHBondContact O-CG2 3.26Å |
| 38 | T | 98 | Very high | 96.1 | Very high | 19 Ų | 19 | 66.3 Ų | 66.3 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.1 | -170.2 | -60 | 0 | 0 | 0 | 0 | 112.4 | K34 P45 Y46 V47 | K34-T38 HydrophobicContact CB-CG2 4.29Å; K34-T38 PolarHBondContact N-O 3.4Å; K34-T38 VanDerWaalsContact O-CB 3.3Å; K34-T38 WeakPolarHBondContact O-CB 3.45Å; K34-T38 PolarHBondContact O-N 2.97Å; T38-P45 HydrophobicContact CG2-CB 4.18Å; T38-Y46 WeakPolarHBondContact CA-O 3.48Å; T38-V47 HydrophobicContact CG2-CG2 4.29Å |
| 39 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 136.9 | 169.1 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | F15 P31 F33 I41 P45 Y46 F48 V51 L317 | F15-V39 HydrophobicContact CE2-CB 4.22Å; F15-V39 HydrophobicContact CE2-CG1 4.12Å; F15-V39 HydrophobicContact CE2-CG2 3.79Å; F15-V39 HydrophobicContact CZ-CG1 4.42Å; F15-V39 HydrophobicContact CZ-CG2 3.9Å; P31-V39 HydrophobicContact CB-CG2 3.79Å; F33-V39 HydrophobicContact CD1-CB 4.27Å; F33-V39 HydrophobicContact CD1-CG2 3.98Å; F33-V39 HydrophobicContact CE1-CB 4.45Å; F33-V39 HydrophobicContact CE1-CG2 3.9Å; V39-I41 HydrophobicContact CG2-CD1 3.83Å; V39-I41 HydrophobicContact CG2-CG1 4.46Å; V39-P45 CarbonylContact O-C 3.51Å; V39-P45 WeakPolarHBondContact O-CA 3.49Å; V39-Y46 PolarHBondContact N-O 3.31Å; V39-Y46 PolarHBondContact O-N 3.24Å; V39-F48 HydrophobicContact CG1-CE2 4.37Å; V39-V51 HydrophobicContact CB-CG1 4.02Å; V39-V51 HydrophobicContact CB-CG2 4.42Å; V39-V51 HydrophobicContact CG1-CG2 4.48Å; V39-L317 HydrophobicContact CG1-CD1 4.45Å; V39-L317 HydrophobicContact CG1-CD2 3.94Å |
| 40 | V | 97.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.2 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | K32 K34 K44 P45 | K32-V40 HydrophobicContact CB-CB 4.29Å; K32-V40 PolarHBondContact N-O 3.3Å; K32-V40 PolarHBondContact O-N 3.5Å; K34-V40 HydrophobicContact CD-CG2 3.92Å; K34-V40 HydrophobicContact CG-CG2 4.25Å; V40-K44 WeakPolarHBondContact CA-O 3.33Å; V40-P45 HydrophobicContact CG2-CB 4.22Å |
| 41 | I | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.1 | 173.3 | -52.5 | -56.7 | 0 | 0 | 0 | 108.3 | F15 I30 P31 V39 G43 K44 Y46 E310 T313 K314 L317 | F15-I41 HydrophobicContact CE1-CD1 4.35Å; F15-I41 HydrophobicContact CZ-CD1 4.07Å; I30-I41 HydrophobicContact CD1-CG2 3.98Å; P31-I41 HydrophobicContact CB-CD1 3.59Å; V39-I41 HydrophobicContact CG2-CD1 3.83Å; V39-I41 HydrophobicContact CG2-CG1 4.46Å; I41-G43 PolarHBondContact O-N 3.23Å; I41-G43 VanDerWaalsContact O-N 3.12Å; I41-K44 PolarHBondContact N-O 2.96Å; I41-K44 PolarHBondContact O-N 3.42Å; I41-Y46 HydrophobicContact CB-CE2 4.11Å; I41-Y46 HydrophobicContact CG1-CD2 4.37Å; I41-Y46 HydrophobicContact CG1-CE2 4.25Å; I41-E310 HydrophobicContact CG2-CG 4.26Å; I41-T313 HydrophobicContact CD1-CG2 4.39Å; I41-T313 HydrophobicContact CG1-CG2 4.45Å; I41-K314 HydrophobicContact CG2-CG 4.26Å; I41-L317 HydrophobicContact CD1-CD1 4.45Å; I41-L317 HydrophobicContact CG1-CD1 3.54Å |
| 42 | T | 91.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 43.4 | 178.4 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | K44 E310 K314 | T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.05Å; T42-E310 HydrophobicContact CG2-CG 4.4Å; T42-E310 WeakPolarHBondContact CG2-OE1 3.34Å; T42-K314 WeakPolarHBondContact OG1-CE 3.43Å; T42-K314 PolarHBondContact OG1-NZ 2.91Å |
| 43 | G | 91.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -10.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | I41 | I41-G43 PolarHBondContact O-N 3.23Å; I41-G43 VanDerWaalsContact O-N 3.12Å |
| 44 | K | 96.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123 | 176.4 | -176.1 | 172.2 | 172.6 | -176 | 0 | 111.1 | V40 I41 T42 Y46 | V40-K44 WeakPolarHBondContact CA-O 3.33Å; I41-K44 PolarHBondContact N-O 2.96Å; I41-K44 PolarHBondContact O-N 3.42Å; T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.05Å; K44-Y46 HydrophobicContact CB-CE2 4.03Å; K44-Y46 HydrophobicContact CD-CE1 4.46Å; K44-Y46 HydrophobicContact CD-CE2 4.17Å; K44-Y46 HydrophobicContact CG-CE2 3.87Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 3.46Å; K44-Y46 WeakPolarHBondContact O-CE2 3.48Å |
| 45 | P | 97.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 146 | 174.8 | 32.2 | -33.6 | 0 | 0 | 0 | 112 | T38 V39 V40 | T38-P45 HydrophobicContact CG2-CB 4.18Å; V39-P45 CarbonylContact O-C 3.51Å; V39-P45 WeakPolarHBondContact O-CA 3.49Å; V40-P45 HydrophobicContact CG2-CB 4.22Å |
| 46 | Y | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.1 | 173.9 | -61.4 | -98.2 | 0 | 0 | 0 | 108.4 | T38 V39 I41 K44 L317 M318 | T38-Y46 WeakPolarHBondContact CA-O 3.48Å; V39-Y46 PolarHBondContact N-O 3.31Å; V39-Y46 PolarHBondContact O-N 3.24Å; I41-Y46 HydrophobicContact CB-CE2 4.11Å; I41-Y46 HydrophobicContact CG1-CD2 4.37Å; I41-Y46 HydrophobicContact CG1-CE2 4.25Å; K44-Y46 HydrophobicContact CB-CE2 4.03Å; K44-Y46 HydrophobicContact CD-CE1 4.46Å; K44-Y46 HydrophobicContact CD-CE2 4.17Å; K44-Y46 HydrophobicContact CG-CE2 3.87Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 3.46Å; K44-Y46 WeakPolarHBondContact O-CE2 3.48Å; Y46-L317 HydrophobicContact CD1-CB 3.57Å; Y46-L317 HydrophobicContact CD1-CD1 4.27Å; Y46-L317 HydrophobicContact CD1-CG 4.45Å; Y46-L317 HydrophobicContact CD2-CD1 3.86Å; Y46-L317 HydrophobicContact CE1-CB 3.74Å; Y46-L317 HydrophobicContact CE1-CD1 4.35Å; Y46-L317 HydrophobicContact CE2-CD1 3.98Å; Y46-L317 HydrophobicContact CG-CB 4.05Å; Y46-L317 HydrophobicContact CG-CD1 4.01Å; Y46-L317 HydrophobicContact CG-CG 4.47Å; Y46-M318 HydrophobicContact CE1-CG 4.35Å; Y46-M318 HydrophobicContact CE1-SD 3.81Å |
| 47 | V | 97.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.6 | -174.8 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | D37 T38 | D37-V47 WeakPolarHBondContact O-CA 3.2Å; T38-V47 HydrophobicContact CG2-CG2 4.29Å |
| 48 | F | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | trans | -132.7 | -173.1 | -178.8 | -63.1 | -74.5 | 0 | 0 | 0 | 111 | V11 C13 D37 V39 V51 I301 L317 Q321 | V11-F48 HydrophobicContact CB-CD1 4.16Å; V11-F48 HydrophobicContact CG1-CD1 3.61Å; V11-F48 HydrophobicContact CG1-CE1 4.09Å; V11-F48 WeakPolarHBondContact O-CB 3.43Å; C13-F48 HydrophobicContact CB-CD2 3.66Å; C13-F48 HydrophobicContact CB-CE2 4.03Å; C13-F48 HydrophobicContact CB-CG 4.08Å; D37-F48 PolarHBondContact O-N 2.94Å; V39-F48 HydrophobicContact CG1-CE2 4.37Å; F48-V51 HydrophobicContact CB-CG2 4.45Å; F48-V51 HydrophobicContact CD2-CG2 3.93Å; F48-I301 HydrophobicContact CD1-CD1 4.24Å; F48-I301 HydrophobicContact CE1-CD1 3.64Å; F48-I301 HydrophobicContact CE2-CD1 4.25Å; F48-I301 HydrophobicContact CZ-CD1 3.65Å; F48-L317 HydrophobicContact CE2-CD2 3.53Å; F48-L317 HydrophobicContact CZ-CB 4.11Å; F48-L317 HydrophobicContact CZ-CD2 3.7Å; F48-L317 WeakPolarHBondContact CZ-O 3.43Å; F48-Q321 HydrophobicContact CE1-CG 3.96Å; F48-Q321 HydrophobicContact CZ-CG 4.08Å | ||
| 49 | D | 97.4 | Very high | 96.9 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -71.2 | -37.6 | 171.8 | -64.9 | -80 | 0 | 0 | 0 | 111 | V11 M12 K324 | V11-D49 PolarHBondContact N-OD2 3.44Å; V11-D49 WeakPolarHBondContact O-CB 3.27Å; V11-D49 PolarHBondContact O-N 3.28Å; M12-D49 HydrophobicContact CE-CB 4.06Å; M12-D49 HydrophobicContact SD-CB 3.79Å; D49-K324 VanDerWaalsContact N-NZ 3.18Å; D49-K324 IonicContact OD1-NZ 2.66Å; D49-K324 PolarHBondContact OD1-NZ 2.84Å; D49-K324 IonicContact OD2-NZ 2.8Å; D49-K324 PolarHBondContact OD2-NZ 2.71Å |
| 50 | R | 97.6 | Very high | 96.9 | Very high | 98 Ų | 98 | 51.5 Ų | 51.5 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.2 | 167.3 | -69.2 | -65.1 | -171.3 | 172.9 | 4.4 | 110.7 | M12 C13 D36 L52 | M12-R50 HydrophobicContact SD-CB 3.66Å; M12-R50 HydrophobicContact SD-CG 4.01Å; C13-R50 PolarHBondContact N-O 3.04Å; D36-R50 CarbonylContact O-C 3.48Å; D36-R50 WeakPolarHBondContact O-CA 3.33Å; D36-R50 IonicContact OD2-CZ 2.63Å; D36-R50 IonicContact OD2-NH1 3.45Å; D36-R50 PolarHBondContact OD2-NH1 3.49Å; R50-L52 HydrophobicContact CB-CD2 4.23Å |
| 51 | V | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.7 | 167.8 | 173.8 | 0 | 0 | 0 | 0 | 108.2 | C13 F33 D36 D37 V39 F48 P53 | C13-V51 HydrophobicContact CB-CG2 4.1Å; C13-V51 CarbonylContact O-C 3.56Å; C13-V51 WeakPolarHBondContact O-CA 3.46Å; F33-V51 HydrophobicContact CD1-CG1 3.52Å; F33-V51 HydrophobicContact CE1-CG1 3.74Å; D36-V51 PolarHBondContact O-N 3.07Å; D37-V51 WeakPolarHBondContact O-CG2 3.26Å; V39-V51 HydrophobicContact CB-CG1 4.02Å; V39-V51 HydrophobicContact CB-CG2 4.42Å; V39-V51 HydrophobicContact CG1-CG2 4.48Å; F48-V51 HydrophobicContact CB-CG2 4.45Å; F48-V51 HydrophobicContact CD2-CG2 3.93Å; V51-P53 VanDerWaalsContact O-CD 3.28Å; V51-P53 WeakPolarHBondContact O-CD 3.41Å |
| 52 | L | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 106.2 | -177.1 | -51 | 179.8 | 0 | 0 | 0 | 109.1 | C13 R14 F15 R50 T56 V61 Q64 | C13-L52 PolarHBondContact O-N 3.28Å; R14-L52 HydrophobicContact CB-CB 4.35Å; R14-L52 HydrophobicContact CB-CD1 4.44Å; R14-L52 HydrophobicContact CG-CB 4.24Å; F15-L52 PolarHBondContact N-O 3.3Å; R50-L52 HydrophobicContact CB-CD2 4.23Å; L52-T56 HydrophobicContact CB-CG2 4.13Å; L52-T56 HydrophobicContact CD2-CG2 4.21Å; L52-V61 HydrophobicContact CD1-CB 4.36Å; L52-V61 HydrophobicContact CD1-CG1 4.29Å; L52-V61 HydrophobicContact CD1-CG2 3.82Å; L52-Q64 VanDerWaalsContact CD2-OE1 3.3Å |
| 53 | P | 97.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 52 Ų | 52 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | trans | -67.2 | 169.4 | 178.2 | 27.7 | -36.2 | 0 | 0 | 0 | 112.8 | F33 V51 N55 T56 | F33-P53 HydrophobicContact CD2-CB 3.85Å; F33-P53 HydrophobicContact CE1-CB 4.43Å; F33-P53 HydrophobicContact CE2-CB 3.67Å; F33-P53 HydrophobicContact CG-CB 4.29Å; F33-P53 HydrophobicContact CZ-CB 4.01Å; V51-P53 VanDerWaalsContact O-CD 3.28Å; V51-P53 WeakPolarHBondContact O-CD 3.41Å; P53-N55 WeakPolarHBondContact CB-OD1 3.49Å; P53-N55 VanDerWaalsContact CG-OD1 3.25Å; P53-N55 WeakPolarHBondContact CG-OD1 3.49Å; P53-N55 PolarHBondContact O-N 3.38Å; P53-T56 VanDerWaalsContact CD-OG1 3.29Å; P53-T56 WeakPolarHBondContact CD-OG1 3.2Å; P53-T56 WeakPolarHBondContact O-CB 3.46Å; P53-T56 PolarHBondContact O-N 3.5Å; P53-T56 PolarHBondContact O-OG1 2.91Å | ||
| 54 | P | 95.8 | Very high | 97.4 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20.1 | -175.9 | -29.4 | 36.8 | 0 | 0 | 0 | 116.9 | F15 P17 Y29 F33 | F15-P54 HydrophobicContact CB-CG 4.18Å; F15-P54 VanDerWaalsContact O-CA 3.3Å; F15-P54 WeakPolarHBondContact O-CA 3.45Å; P17-P54 HydrophobicContact CB-CB 4.42Å; P17-P54 HydrophobicContact CG-CB 4.04Å; Y29-P54 HydrophobicContact CE2-CG 3.95Å; Y29-P54 WeakPolarHBondContact OH-CD 3.45Å; Y29-P54 WeakPolarHBondContact OH-CG 3.46Å; F33-P54 HydrophobicContact CE2-CG 4.49Å |
| 55 | N | 95.2 | Very high | 97.4 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 69% | 0.69 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1 | 179 | 63.6 | -45.5 | 0 | 0 | 0 | 113.3 | P53 T57 | P53-N55 WeakPolarHBondContact CB-OD1 3.49Å; P53-N55 VanDerWaalsContact CG-OD1 3.25Å; P53-N55 WeakPolarHBondContact CG-OD1 3.49Å; P53-N55 PolarHBondContact O-N 3.38Å; N55-T57 PolarHBondContact O-N 2.9Å |
| 56 | T | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | trans | -68.1 | 126 | 176.5 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | L52 P53 Q60 V61 | L52-T56 HydrophobicContact CB-CG2 4.13Å; L52-T56 HydrophobicContact CD2-CG2 4.21Å; P53-T56 VanDerWaalsContact CD-OG1 3.29Å; P53-T56 WeakPolarHBondContact CD-OG1 3.2Å; P53-T56 WeakPolarHBondContact O-CB 3.46Å; P53-T56 PolarHBondContact O-N 3.5Å; P53-T56 PolarHBondContact O-OG1 2.91Å; T56-Q60 HydrophobicContact CG2-CB 3.62Å; T56-V61 HydrophobicContact CG2-CG2 3.92Å | ||
| 57 | T | 98.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 41% | 0.405 | 24% | 0.237 | S | C | . | . | trans | -75.5 | 163.4 | -179.2 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | N55 E59 Q60 V61 | N55-T57 PolarHBondContact O-N 2.9Å; T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 PolarHBondContact O-N 3Å; T57-Q60 PolarHBondContact O-N 3.1Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.39Å; T57-Q60 PolarHBondContact OG1-N 3.3Å; T57-V61 VanDerWaalsContact O-CG2 3.25Å; T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 3.45Å | ||
| 58 | Q | 98.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 176.1 | -66.1 | -80.8 | 74.6 | 0 | 0 | 112.4 | R14 V61 Y62 H93 L104 M105 | R14-Q58 VanDerWaalsContact CZ-OE1 3.24Å; Q58-V61 WeakPolarHBondContact O-CB 3.36Å; Q58-V61 PolarHBondContact O-N 2.95Å; Q58-Y62 PolarHBondContact O-N 2.85Å; Q58-H93 PolarHBondContact NE2-O 3.48Å; Q58-L104 PolarHBondContact NE2-O 2.68Å; Q58-M105 VanDerWaalsContact CB-O 3.26Å; Q58-M105 WeakPolarHBondContact CB-O 3.28Å |
| 59 | E | 97.9 | Very high | 97.1 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 58% | 0.579 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.5 | -45.9 | 175.7 | -175.7 | -178 | -170.9 | 0 | 0 | 111.6 | T57 V61 Y62 E63 | T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 PolarHBondContact O-N 3Å; E59-V61 VanDerWaalsContact C-N 3.3Å; E59-V61 PolarHBondContact O-N 3.44Å; E59-Y62 WeakPolarHBondContact O-CB 3.26Å; E59-Y62 PolarHBondContact O-N 3.48Å; E59-E63 PolarHBondContact O-N 3.32Å |
| 60 | Q | 98 | Very high | 97 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 43% | 0.425 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 176.2 | -73.5 | 174.5 | -33.4 | 0 | 0 | 112.2 | T56 T57 Q64 | T56-Q60 HydrophobicContact CG2-CB 3.62Å; T57-Q60 PolarHBondContact O-N 3.1Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.39Å; T57-Q60 PolarHBondContact OG1-N 3.3Å; Q60-Q64 WeakPolarHBondContact O-CB 3.2Å; Q60-Q64 VanDerWaalsContact O-CG 3.27Å; Q60-Q64 WeakPolarHBondContact O-CG 3.16Å; Q60-Q64 PolarHBondContact O-N 3.2Å; Q60-Q64 VanDerWaalsContact O-N 3.16Å |
| 61 | V | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 174.1 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | L52 T56 T57 Q58 E59 Q64 C65 T94 I107 | L52-V61 HydrophobicContact CD1-CB 4.36Å; L52-V61 HydrophobicContact CD1-CG1 4.29Å; L52-V61 HydrophobicContact CD1-CG2 3.82Å; T56-V61 HydrophobicContact CG2-CG2 3.92Å; T57-V61 VanDerWaalsContact O-CG2 3.25Å; T57-V61 WeakPolarHBondContact O-CG2 3.43Å; T57-V61 PolarHBondContact O-N 3.45Å; Q58-V61 WeakPolarHBondContact O-CB 3.36Å; Q58-V61 PolarHBondContact O-N 2.95Å; E59-V61 VanDerWaalsContact C-N 3.3Å; E59-V61 PolarHBondContact O-N 3.44Å; V61-Q64 PolarHBondContact O-N 3.31Å; V61-C65 WeakPolarHBondContact O-CB 3.47Å; V61-C65 PolarHBondContact O-N 3.5Å; V61-C65 PolarHBondContact O-SG 3.03Å; V61-T94 HydrophobicContact CG1-CG2 3.96Å; V61-I107 HydrophobicContact CG1-CD1 4.18Å; V61-I107 HydrophobicContact CG1-CG1 4.5Å |
| 62 | Y | 98.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -50.8 | 178.3 | 172.5 | -104.6 | 0 | 0 | 0 | 112.5 | Q58 E59 Q64 C65 A66 K67 R110 I111 D114 | Q58-Y62 PolarHBondContact O-N 2.85Å; E59-Y62 WeakPolarHBondContact O-CB 3.26Å; E59-Y62 PolarHBondContact O-N 3.48Å; Y62-Q64 VanDerWaalsContact C-N 3.27Å; Y62-Q64 PolarHBondContact O-N 2.96Å; Y62-C65 PolarHBondContact O-N 3.44Å; Y62-A66 HydrophobicContact CD2-CB 3.66Å; Y62-A66 HydrophobicContact CE2-CB 3.73Å; Y62-A66 PolarHBondContact O-N 3.25Å; Y62-K67 HydrophobicContact CE1-CB 4.13Å; Y62-K67 HydrophobicContact CE1-CD 4.47Å; Y62-K67 HydrophobicContact CE1-CG 4.29Å; Y62-K67 PolarHBondContact O-N 3Å; Y62-K67 VanDerWaalsContact O-N 3.16Å; Y62-R110 HydrophobicContact CD1-CB 4.13Å; Y62-R110 HydrophobicContact CD2-CB 3.66Å; Y62-R110 HydrophobicContact CE1-CB 4.33Å; Y62-R110 HydrophobicContact CE2-CB 3.93Å; Y62-R110 HydrophobicContact CG-CB 3.8Å; Y62-R110 HydrophobicContact CG-CG 4.39Å; Y62-I111 HydrophobicContact CD2-CG1 4.4Å; Y62-I111 HydrophobicContact CE2-CG1 3.67Å; Y62-D114 VanDerWaalsContact CE1-OD2 3.27Å; Y62-D114 WeakPolarHBondContact CE1-OD2 3.24Å; Y62-D114 VanDerWaalsContact CZ-OD2 3.26Å; Y62-D114 VanDerWaalsContact OH-CB 3.23Å; Y62-D114 WeakPolarHBondContact OH-CB 3.47Å; Y62-D114 PolarHBondContact OH-OD2 2.97Å |
| 63 | E | 97.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.6 | -42.8 | -179.4 | -171.1 | 67.6 | -153.9 | 0 | 0 | 111.5 | E59 K67 | E59-E63 PolarHBondContact O-N 3.32Å; E63-K67 WeakPolarHBondContact OE1-CD 3.36Å; E63-K67 IonicContact OE1-NZ 2.68Å; E63-K67 PolarHBondContact OE1-NZ 2.67Å; E63-K67 WeakPolarHBondContact OE2-CD 3.41Å; E63-K67 WeakPolarHBondContact OE2-CE 3.44Å; E63-K67 IonicContact OE2-NZ 2.68Å; E63-K67 PolarHBondContact OE2-NZ 3.05Å |
| 64 | Q | 95.8 | Very high | 96.3 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -82.9 | -30.7 | -175.6 | -66.1 | -179.5 | 47.6 | 0 | 0 | 113.6 | L52 Q60 V61 Y62 | L52-Q64 VanDerWaalsContact CD2-OE1 3.3Å; Q60-Q64 WeakPolarHBondContact O-CB 3.2Å; Q60-Q64 VanDerWaalsContact O-CG 3.27Å; Q60-Q64 WeakPolarHBondContact O-CG 3.16Å; Q60-Q64 PolarHBondContact O-N 3.2Å; Q60-Q64 VanDerWaalsContact O-N 3.16Å; V61-Q64 PolarHBondContact O-N 3.31Å; Y62-Q64 VanDerWaalsContact C-N 3.27Å; Y62-Q64 PolarHBondContact O-N 2.96Å |
| 65 | C | 96.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -102.7 | -35.9 | -170.1 | -54.7 | 0 | 0 | 0 | 0 | 114 | M12 V61 Y62 T298 I300 | M12-C65 HydrophobicContact CG-CB 4.4Å; V61-C65 WeakPolarHBondContact O-CB 3.47Å; V61-C65 PolarHBondContact O-N 3.5Å; V61-C65 PolarHBondContact O-SG 3.03Å; Y62-C65 PolarHBondContact O-N 3.44Å; C65-T298 HydrophobicContact CB-CG2 4.18Å; C65-T298 PolarHBondContact O-OG1 3.47Å; C65-I300 HydrophobicContact CB-CD1 3.75Å; C65-I300 HydrophobicContact CB-CG1 4.21Å |
| 66 | A | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -37.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y62 Q68 I69 V70 I81 I107 I111 | Y62-A66 HydrophobicContact CD2-CB 3.66Å; Y62-A66 HydrophobicContact CE2-CB 3.73Å; Y62-A66 PolarHBondContact O-N 3.25Å; A66-Q68 VanDerWaalsContact C-N 3.3Å; A66-Q68 PolarHBondContact O-N 3.2Å; A66-Q68 VanDerWaalsContact O-N 3.15Å; A66-I69 WeakPolarHBondContact O-CA 3.45Å; A66-I69 WeakPolarHBondContact O-CB 3.22Å; A66-I69 PolarHBondContact O-N 3.09Å; A66-V70 PolarHBondContact O-N 3Å; A66-V70 VanDerWaalsContact O-N 3.07Å; A66-I81 HydrophobicContact CB-CD1 3.51Å; A66-I107 HydrophobicContact CB-CG2 3.83Å; A66-I111 HydrophobicContact CB-CD1 4.28Å; A66-I111 HydrophobicContact CB-CG1 4.47Å |
| 67 | K | 96.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 24% | 0.239 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.5 | -40.7 | -170.4 | -169.9 | 175 | -169.1 | 174.3 | 0 | 114.6 | Y62 E63 V70 K71 | Y62-K67 HydrophobicContact CE1-CB 4.13Å; Y62-K67 HydrophobicContact CE1-CD 4.47Å; Y62-K67 HydrophobicContact CE1-CG 4.29Å; Y62-K67 PolarHBondContact O-N 3Å; Y62-K67 VanDerWaalsContact O-N 3.16Å; E63-K67 WeakPolarHBondContact OE1-CD 3.36Å; E63-K67 IonicContact OE1-NZ 2.68Å; E63-K67 PolarHBondContact OE1-NZ 2.67Å; E63-K67 WeakPolarHBondContact OE2-CD 3.41Å; E63-K67 WeakPolarHBondContact OE2-CE 3.44Å; E63-K67 IonicContact OE2-NZ 2.68Å; E63-K67 PolarHBondContact OE2-NZ 3.05Å; K67-V70 PolarHBondContact O-N 3.48Å; K67-K71 PolarHBondContact O-N 3.48Å |
| 68 | Q | 94.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 38.6 Ų | 38.6 | 46% | 0.458 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.6 | -174.8 | 57 | 48.2 | 0 | 0 | 111.9 | A66 V70 K71 D72 | A66-Q68 VanDerWaalsContact C-N 3.3Å; A66-Q68 PolarHBondContact O-N 3.2Å; A66-Q68 VanDerWaalsContact O-N 3.15Å; Q68-V70 VanDerWaalsContact C-N 3.29Å; Q68-V70 PolarHBondContact O-N 3.01Å; Q68-K71 WeakPolarHBondContact O-CB 3.43Å; Q68-K71 PolarHBondContact O-N 3.26Å; Q68-D72 PolarHBondContact NE2-OD1 3.44Å; Q68-D72 PolarHBondContact O-N 3.05Å; Q68-D72 VanDerWaalsContact O-OD2 3.05Å |
| 69 | I | 95.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.9 | -71.3 | 176.7 | 0 | 0 | 0 | 110.5 | A66 K71 D72 V73 I81 L227 R296 T298 | A66-I69 WeakPolarHBondContact O-CA 3.45Å; A66-I69 WeakPolarHBondContact O-CB 3.22Å; A66-I69 PolarHBondContact O-N 3.09Å; I69-K71 VanDerWaalsContact C-N 3.35Å; I69-K71 PolarHBondContact O-N 2.82Å; I69-D72 PolarHBondContact O-N 3.05Å; I69-V73 HydrophobicContact CG2-CG2 4.13Å; I69-V73 VanDerWaalsContact O-CG2 3.25Å; I69-V73 WeakPolarHBondContact O-CG2 3.25Å; I69-V73 PolarHBondContact O-N 3.36Å; I69-I81 HydrophobicContact CD1-CD1 4.35Å; I69-I81 HydrophobicContact CD1-CG1 3.83Å; I69-L227 HydrophobicContact CG2-CD1 3.56Å; I69-R296 HydrophobicContact CG1-CB 4.43Å; I69-T298 WeakPolarHBondContact CD1-OG1 3.24Å |
| 70 | V | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | A66 K67 Q68 D72 V73 L74 I111 D114 I115 | A66-V70 PolarHBondContact O-N 3Å; A66-V70 VanDerWaalsContact O-N 3.07Å; K67-V70 PolarHBondContact O-N 3.48Å; Q68-V70 VanDerWaalsContact C-N 3.29Å; Q68-V70 PolarHBondContact O-N 3.01Å; V70-D72 VanDerWaalsContact C-N 3.31Å; V70-D72 PolarHBondContact O-N 2.93Å; V70-V73 PolarHBondContact O-N 3.2Å; V70-L74 HydrophobicContact CG1-CD1 4.13Å; V70-L74 WeakPolarHBondContact O-CG 3.39Å; V70-L74 PolarHBondContact O-N 3.38Å; V70-I111 HydrophobicContact CG2-CB 4.28Å; V70-I111 HydrophobicContact CG2-CD1 4.3Å; V70-I111 HydrophobicContact CG2-CG1 3.69Å; V70-I111 HydrophobicContact CG2-CG2 4.05Å; V70-D114 HydrophobicContact CG1-CB 4.43Å; V70-I115 HydrophobicContact CG1-CG1 3.78Å |
| 71 | K | 94 | Very high | 95.4 | Very high | 98 Ų | 98 | 28 Ų | 28 | 43% | 0.426 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.4 | -42 | 175.8 | -68.2 | -178 | 177.3 | -175.1 | 0 | 112.4 | K67 Q68 I69 L74 G75 | K67-K71 PolarHBondContact O-N 3.48Å; Q68-K71 WeakPolarHBondContact O-CB 3.43Å; Q68-K71 PolarHBondContact O-N 3.26Å; I69-K71 VanDerWaalsContact C-N 3.35Å; I69-K71 PolarHBondContact O-N 2.82Å; K71-L74 PolarHBondContact O-N 2.82Å; K71-G75 PolarHBondContact O-N 3.22Å |
| 72 | D | 94.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 12% | 0.118 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | 178.9 | -62.4 | -39.2 | 0 | 0 | 0 | 111.5 | Q68 I69 V70 G75 G76 Y77 R296 | Q68-D72 PolarHBondContact NE2-OD1 3.44Å; Q68-D72 PolarHBondContact O-N 3.05Å; Q68-D72 VanDerWaalsContact O-OD2 3.05Å; I69-D72 PolarHBondContact O-N 3.05Å; V70-D72 VanDerWaalsContact C-N 3.31Å; V70-D72 PolarHBondContact O-N 2.93Å; D72-G75 CarbonylContact O-C 3.26Å; D72-G75 WeakPolarHBondContact O-CA 3.49Å; D72-G75 PolarHBondContact O-N 3.16Å; D72-G76 PolarHBondContact O-N 2.8Å; D72-Y77 HydrophobicContact CB-CD2 4.07Å; D72-Y77 HydrophobicContact CB-CG 4.47Å; D72-Y77 WeakPolarHBondContact O-CB 3.49Å; D72-Y77 WeakPolarHBondContact O-CD2 3.35Å; D72-Y77 PolarHBondContact O-N 2.95Å; D72-R296 VanDerWaalsContact CB-CD 3.46Å; D72-R296 IonicContact OD1-CZ 3.74Å; D72-R296 IonicContact OD1-NE 3.33Å; D72-R296 WeakPolarHBondContact OD2-CD 3.14Å; D72-R296 IonicContact OD2-CZ 3.99Å; D72-R296 IonicContact OD2-NE 3.54Å; D72-R296 PolarHBondContact OD2-NE 3.37Å |
| 73 | V | 94.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I69 V70 G75 G76 Y77 I212 L227 | I69-V73 HydrophobicContact CG2-CG2 4.13Å; I69-V73 VanDerWaalsContact O-CG2 3.25Å; I69-V73 WeakPolarHBondContact O-CG2 3.25Å; I69-V73 PolarHBondContact O-N 3.36Å; V70-V73 PolarHBondContact O-N 3.2Å; V73-G75 PolarHBondContact O-N 3.22Å; V73-G76 PolarHBondContact O-N 3.32Å; V73-Y77 WeakPolarHBondContact CA-O 3.42Å; V73-I212 HydrophobicContact CG1-CD1 3.91Å; V73-I212 HydrophobicContact CG1-CG1 4.36Å; V73-L227 HydrophobicContact CG1-CB 4.15Å; V73-L227 HydrophobicContact CG2-CB 4.05Å; V73-L227 HydrophobicContact CG2-CD1 4.23Å; V73-L227 HydrophobicContact CG2-CG 4.5Å |
| 74 | L | 92.4 | Very high | 95.1 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.8 | -27 | 170.4 | -69.7 | 167.3 | 0 | 0 | 0 | 112 | V70 K71 G76 H118 I212 Q214 | V70-L74 HydrophobicContact CG1-CD1 4.13Å; V70-L74 WeakPolarHBondContact O-CG 3.39Å; V70-L74 PolarHBondContact O-N 3.38Å; K71-L74 PolarHBondContact O-N 2.82Å; L74-G76 VanDerWaalsContact C-N 3.26Å; L74-G76 PolarHBondContact O-N 3.01Å; L74-H118 HydrophobicContact CD1-CB 3.56Å; L74-I212 HydrophobicContact CD2-CD1 3.9Å; L74-I212 HydrophobicContact CD2-CG2 4.36Å; L74-I212 HydrophobicContact CG-CD1 4.48Å; L74-Q214 PolarHBondContact O-NE2 2.74Å |
| 75 | G | 91.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 35% | 0.351 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K71 D72 V73 | K71-G75 PolarHBondContact O-N 3.22Å; D72-G75 CarbonylContact O-C 3.26Å; D72-G75 WeakPolarHBondContact O-CA 3.49Å; D72-G75 PolarHBondContact O-N 3.16Å; V73-G75 PolarHBondContact O-N 3.22Å |
| 76 | G | 92 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 13.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D72 V73 L74 N333 | D72-G76 PolarHBondContact O-N 2.8Å; V73-G76 PolarHBondContact O-N 3.32Å; L74-G76 VanDerWaalsContact C-N 3.26Å; L74-G76 PolarHBondContact O-N 3.01Å; G76-N333 WeakPolarHBondContact O-CB 3.49Å; G76-N333 PolarHBondContact O-N 2.95Å; G76-N333 PolarHBondContact O-ND2 3.21Å |
| 77 | Y | 93.6 | Very high | 94.5 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 22% | 0.22 | 11% | 0.113 | C | C | . | . | trans | -82.9 | 158.8 | 167.1 | -65.8 | -81.3 | 0 | 0 | 0 | 111 | D72 V73 G225 V330 V332 | D72-Y77 HydrophobicContact CB-CD2 4.07Å; D72-Y77 HydrophobicContact CB-CG 4.47Å; D72-Y77 WeakPolarHBondContact O-CB 3.49Å; D72-Y77 WeakPolarHBondContact O-CD2 3.35Å; D72-Y77 PolarHBondContact O-N 2.95Å; V73-Y77 WeakPolarHBondContact CA-O 3.42Å; Y77-G225 VanDerWaalsContact O-CA 3.31Å; Y77-G225 WeakPolarHBondContact O-CA 3.24Å; Y77-V330 HydrophobicContact CD1-CB 4.32Å; Y77-V330 HydrophobicContact CE1-CG2 4.47Å; Y77-V332 HydrophobicContact CD1-CG2 4.1Å; Y77-V332 HydrophobicContact CD2-CG2 4.33Å; Y77-V332 HydrophobicContact CE1-CB 4.44Å; Y77-V332 HydrophobicContact CE1-CG2 3.46Å; Y77-V332 VanDerWaalsContact CE1-CG2 3.46Å; Y77-V332 HydrophobicContact CE2-CG2 3.71Å; Y77-V332 WeakPolarHBondContact OH-CG2 3.42Å | ||
| 78 | N | 94.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 6% | 0.059 | 13% | 0.128 | C | C | . | . | trans | -84.1 | 149 | 163.7 | -61.4 | -29.8 | 0 | 0 | 0 | 110.4 | K226 D289 N294 C295 R296 N333 | N78-K226 CarbonylContact C-O 3.6Å; N78-K226 WeakPolarHBondContact CA-O 3.37Å; N78-K226 PolarHBondContact OD1-N 3.29Å; N78-D289 PolarHBondContact ND2-OD2 2.75Å; N78-N294 WeakPolarHBondContact CB-O 3.39Å; N78-N294 PolarHBondContact ND2-O 2.82Å; N78-C295 HydrophobicContact CB-CB 4.24Å; N78-R296 PolarHBondContact O-N 2.99Å; N78-N333 PolarHBondContact OD1-ND2 2.95Å | ||
| 79 | G | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | K226 L227 Y228 C295 R296 | G79-K226 PolarHBondContact N-O 2.94Å; G79-L227 WeakPolarHBondContact O-CA 3.29Å; G79-Y228 PolarHBondContact O-N 3.3Å; G79-C295 VanDerWaalsContact CA-SG 3.54Å; G79-R296 CarbonylContact C-O 3.41Å; G79-R296 VanDerWaalsContact CA-O 3.32Å; G79-R296 WeakPolarHBondContact CA-O 3.46Å |
| 80 | T | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 133.9 | 171.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | F82 Y228 V230 S290 C295 R296 T297 T298 | T80-F82 HydrophobicContact CG2-CD2 3.84Å; T80-F82 HydrophobicContact CG2-CE1 4.07Å; T80-F82 HydrophobicContact CG2-CE2 3.31Å; T80-F82 HydrophobicContact CG2-CG 4.45Å; T80-F82 HydrophobicContact CG2-CZ 3.45Å; T80-F82 VanDerWaalsContact CG2-CZ 3.45Å; T80-Y228 CarbonylContact C-O 3.59Å; T80-Y228 VanDerWaalsContact CA-O 3.3Å; T80-Y228 WeakPolarHBondContact CA-O 3.32Å; T80-V230 HydrophobicContact CG2-CG2 4.31Å; T80-S290 VanDerWaalsContact OG1-CB 3.31Å; T80-S290 WeakPolarHBondContact OG1-CB 3.41Å; T80-S290 PolarHBondContact OG1-OG 2.96Å; T80-C295 PolarHBondContact N-SG 2.95Å; T80-C295 PolarHBondContact OG1-SG 3.25Å; T80-R296 PolarHBondContact N-O 3.09Å; T80-T297 WeakPolarHBondContact O-CA 3.49Å; T80-T298 PolarHBondContact O-N 2.9Å |
| 81 | I | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.8 | 174.9 | -55.9 | 177.7 | 0 | 0 | 0 | 108.7 | A66 I69 M95 I107 I111 Y228 L229 V230 T298 I300 | A66-I81 HydrophobicContact CB-CD1 3.51Å; I69-I81 HydrophobicContact CD1-CD1 4.35Å; I69-I81 HydrophobicContact CD1-CG1 3.83Å; I81-M95 HydrophobicContact CG2-CE 4.48Å; I81-M95 HydrophobicContact CG2-SD 4.3Å; I81-I107 HydrophobicContact CD1-CG2 4.16Å; I81-I107 HydrophobicContact CG2-CD1 4.4Å; I81-I111 HydrophobicContact CD1-CD1 3.91Å; I81-Y228 PolarHBondContact N-O 3.09Å; I81-L229 HydrophobicContact CB-CD2 3.97Å; I81-L229 HydrophobicContact CD1-CD2 3.93Å; I81-L229 HydrophobicContact CG1-CD2 4.16Å; I81-V230 PolarHBondContact O-N 3.43Å; I81-T298 WeakPolarHBondContact CA-O 3.48Å; I81-I300 HydrophobicContact CG2-CD1 4.02Å; I81-I300 HydrophobicContact CG2-CG1 4.5Å |
| 82 | F | 94.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.8 | 176.9 | -65 | -81.4 | 0 | 0 | 0 | 111.5 | T80 V230 L232 L287 L291 T297 T298 I299 I300 | T80-F82 HydrophobicContact CG2-CD2 3.84Å; T80-F82 HydrophobicContact CG2-CE1 4.07Å; T80-F82 HydrophobicContact CG2-CE2 3.31Å; T80-F82 HydrophobicContact CG2-CG 4.45Å; T80-F82 HydrophobicContact CG2-CZ 3.45Å; T80-F82 VanDerWaalsContact CG2-CZ 3.45Å; F82-V230 CarbonylContact C-O 3.47Å; F82-V230 HydrophobicContact CD1-CB 3.74Å; F82-V230 HydrophobicContact CD1-CG1 3.92Å; F82-V230 HydrophobicContact CD1-CG2 4.11Å; F82-V230 HydrophobicContact CE1-CB 4.05Å; F82-V230 HydrophobicContact CE1-CG1 4.12Å; F82-V230 HydrophobicContact CE1-CG2 3.95Å; F82-L232 HydrophobicContact CD1-CD1 4.2Å; F82-L287 HydrophobicContact CE1-CD1 3.51Å; F82-L287 HydrophobicContact CE1-CD2 3.9Å; F82-L287 HydrophobicContact CE1-CG 4.24Å; F82-L287 HydrophobicContact CZ-CB 4.42Å; F82-L287 HydrophobicContact CZ-CD1 3.92Å; F82-L287 HydrophobicContact CZ-CD2 3.94Å; F82-L287 HydrophobicContact CZ-CG 4.31Å; F82-L291 HydrophobicContact CE2-CD2 4.31Å; F82-T297 HydrophobicContact CD2-CG2 3.82Å; F82-T297 HydrophobicContact CE2-CG2 3.57Å; F82-T298 PolarHBondContact N-O 3.06Å; F82-I299 HydrophobicContact CB-CB 4.36Å; F82-I299 HydrophobicContact CB-CG1 4.1Å; F82-I299 HydrophobicContact CB-CG2 4.24Å; F82-I299 HydrophobicContact CD2-CD1 4.45Å; F82-I299 HydrophobicContact CD2-CG1 3.62Å; F82-I299 HydrophobicContact CE2-CG1 4.47Å; F82-I299 HydrophobicContact CG-CG1 4.18Å; F82-I300 WeakPolarHBondContact O-CA 3.38Å; F82-I300 WeakPolarHBondContact O-CB 3.26Å; F82-I300 PolarHBondContact O-N 3.01Å |
| 83 | A | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K91 M95 V230 L232 I300 | A83-K91 HydrophobicContact CB-CB 3.88Å; A83-K91 HydrophobicContact CB-CG 4.31Å; A83-M95 HydrophobicContact CB-CG 3.52Å; A83-M95 HydrophobicContact CB-SD 3.9Å; A83-V230 PolarHBondContact N-O 2.79Å; A83-L232 WeakPolarHBondContact O-CB 3.45Å; A83-L232 PolarHBondContact O-N 2.94Å; A83-I300 WeakPolarHBondContact CA-O 3.39Å |
| 84 | Y | 96.1 | Very high | 94.3 | Very high | 23 Ų | 23 | 21 Ų | 21 | 9% | 0.09 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.2 | -176.5 | -179.8 | -87.6 | 0 | 0 | 0 | 111.4 | L232 S235 L258 I300 I301 C302 T316 F319 | Y84-L232 HydrophobicContact CD2-CD1 3.72Å; Y84-L232 HydrophobicContact CG-CD1 4.46Å; Y84-S235 VanDerWaalsContact CZ-CB 3.44Å; Y84-S235 WeakPolarHBondContact OH-CB 3.29Å; Y84-L258 HydrophobicContact CD2-CD2 4.45Å; Y84-L258 HydrophobicContact CE2-CD2 4.09Å; Y84-I300 PolarHBondContact N-O 3.47Å; Y84-I301 HydrophobicContact CD1-CG2 4.32Å; Y84-I301 CarbonylContact O-C 3.58Å; Y84-I301 WeakPolarHBondContact O-CA 3.49Å; Y84-C302 PolarHBondContact O-N 3.41Å; Y84-T316 HydrophobicContact CD1-CG2 4.13Å; Y84-T316 HydrophobicContact CE1-CG2 4.35Å; Y84-F319 AromaticContact CD1-CD1 3.63Å; Y84-F319 HydrophobicContact CD1-CD1 3.63Å; Y84-F319 AromaticContact CD1-CE1 3.86Å; Y84-F319 HydrophobicContact CD1-CE1 3.86Å; Y84-F319 HydrophobicContact CD1-CG 4.16Å; Y84-F319 HydrophobicContact CD2-CD1 4.42Å; Y84-F319 AromaticContact CD2-CE1 3.93Å; Y84-F319 HydrophobicContact CD2-CE1 3.93Å; Y84-F319 HydrophobicContact CD2-CE2 4.38Å; Y84-F319 AromaticContact CD2-CZ 3.9Å; Y84-F319 HydrophobicContact CD2-CZ 3.9Å; Y84-F319 HydrophobicContact CE1-CB 4.02Å; Y84-F319 AromaticContact CE1-CD1 3.68Å; Y84-F319 HydrophobicContact CE1-CD1 3.68Å; Y84-F319 HydrophobicContact CE1-CD2 4.2Å; Y84-F319 HydrophobicContact CE1-CE1 4.17Å; Y84-F319 AromaticContact CE1-CG 3.7Å; Y84-F319 HydrophobicContact CE1-CG 3.7Å; Y84-F319 HydrophobicContact CE2-CD1 4.44Å; Y84-F319 HydrophobicContact CE2-CD2 4.21Å; Y84-F319 HydrophobicContact CE2-CE1 4.21Å; Y84-F319 AromaticContact CE2-CE2 3.94Å; Y84-F319 HydrophobicContact CE2-CE2 3.94Å; Y84-F319 HydrophobicContact CE2-CG 4.45Å; Y84-F319 AromaticContact CE2-CZ 3.94Å; Y84-F319 HydrophobicContact CE2-CZ 3.94Å; Y84-F319 HydrophobicContact CG-CD1 4.03Å; Y84-F319 AromaticContact CG-CE1 3.74Å; Y84-F319 HydrophobicContact CG-CE1 3.74Å; Y84-F319 HydrophobicContact CG-CZ 4.21Å; Y84-F319 AromaticContact CZ-CD2 3.85Å; Y84-F319 AromaticContact CZ-CG 3.85Å |
| 85 | G | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 144 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K91 S235 | G85-K91 WeakPolarHBondContact O-CD 3.28Å; G85-K91 WeakPolarHBondContact O-CE 3.28Å; G85-K91 PolarHBondContact O-NZ 3.29Å; G85-S235 WeakPolarHBondContact CA-OG 3.39Å; G85-S235 PolarHBondContact O-N 3.46Å; G85-S235 VanDerWaalsContact O-N 3.17Å |
| 86 | Q | 91.6 | Very high | 94.6 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 9% | 0.089 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -62.3 | 162.9 | -178.9 | 67.1 | 168.5 | 93.5 | 0 | 0 | 112.9 | S88 S89 K91 S235 E236 N309 E312 | Q86-S88 PolarHBondContact O-N 2.98Å; Q86-S89 WeakPolarHBondContact O-CB 3.44Å; Q86-S89 PolarHBondContact O-N 3.08Å; Q86-S89 VanDerWaalsContact O-N 3.12Å; Q86-S89 PolarHBondContact O-OG 3.45Å; Q86-K91 VanDerWaalsContact C-NZ 3.31Å; Q86-K91 PolarHBondContact O-NZ 2.92Å; Q86-S235 PolarHBondContact N-OG 2.92Å; Q86-S235 VanDerWaalsContact N-OG 3.16Å; Q86-E236 VanDerWaalsContact CA-OE2 3.25Å; Q86-E236 WeakPolarHBondContact CA-OE2 3.43Å; Q86-E236 HydrophobicContact CB-CB 4.22Å; Q86-N309 PolarHBondContact NE2-OD1 3.5Å; Q86-N309 VanDerWaalsContact NE2-OD1 3.13Å; Q86-N309 PolarHBondContact OE1-OD1 3.43Å; Q86-E312 HydrophobicContact CB-CB 4.37Å |
| 87 | T | 89.6 | Confident | 94.7 | Very high | 27 Ų | 27 | 19.8 Ų | 19.8 | 17% | 0.166 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 140.1 | 168.2 | -63.7 | 0 | 0 | 0 | 0 | 111 | S89 S202 E236 | T87-S89 PolarHBondContact O-N 3.49Å; T87-S202 WeakPolarHBondContact OG1-CB 3.19Å; T87-E236 WeakPolarHBondContact CB-OE1 3.37Å; T87-E236 PolarHBondContact N-OE2 3.42Å; T87-E236 VanDerWaalsContact OG1-CD 3.3Å; T87-E236 PolarHBondContact OG1-OE1 2.89Å; T87-E236 PolarHBondContact OG1-OE2 2.72Å |
| 88 | S | 89.6 | Confident | 94.6 | Very high | 80 Ų | 80 | 23.1 Ų | 23.1 | 56% | 0.559 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 20.1 | -175.5 | -52.6 | 0 | 0 | 0 | 0 | 114.7 | R16 Q86 | R16-S88 PolarHBondContact NE-O 3.18Å; R16-S88 PolarHBondContact NH2-O 2.91Å; Q86-S88 PolarHBondContact O-N 2.98Å |
| 89 | S | 94.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -82.8 | -14.1 | 173.4 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | Q86 T87 C302 | Q86-S89 WeakPolarHBondContact O-CB 3.44Å; Q86-S89 PolarHBondContact O-N 3.08Å; Q86-S89 VanDerWaalsContact O-N 3.12Å; Q86-S89 PolarHBondContact O-OG 3.45Å; T87-S89 PolarHBondContact O-N 3.49Å; S89-C302 WeakPolarHBondContact CB-O 3.2Å; S89-C302 VanDerWaalsContact OG-CB 3.23Å; S89-C302 WeakPolarHBondContact OG-CB 3.12Å; S89-C302 PolarHBondContact OG-O 2.95Å |
| 90 | G | 94.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 111.9 | 15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H93 T94 | G90-H93 PolarHBondContact O-N 2.78Å; G90-T94 WeakPolarHBondContact O-CB 3.45Å; G90-T94 PolarHBondContact O-N 3.34Å; G90-T94 PolarHBondContact O-OG1 2.74Å |
| 91 | K | 95.5 | Very high | 94 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.2 | -62 | 180 | -56.8 | -175.7 | -67.4 | -71.5 | 0 | 113.4 | A83 G85 Q86 H93 T94 M95 D231 L232 C302 | A83-K91 HydrophobicContact CB-CB 3.88Å; A83-K91 HydrophobicContact CB-CG 4.31Å; G85-K91 WeakPolarHBondContact O-CD 3.28Å; G85-K91 WeakPolarHBondContact O-CE 3.28Å; G85-K91 PolarHBondContact O-NZ 3.29Å; Q86-K91 VanDerWaalsContact C-NZ 3.31Å; Q86-K91 PolarHBondContact O-NZ 2.92Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 3.46Å; K91-T94 WeakPolarHBondContact O-CA 3.37Å; K91-T94 VanDerWaalsContact O-CB 3.29Å; K91-T94 WeakPolarHBondContact O-CB 3.45Å; K91-T94 PolarHBondContact O-N 3.09Å; K91-M95 PolarHBondContact O-N 3.34Å; K91-D231 WeakPolarHBondContact CB-OD1 3.25Å; K91-L232 WeakPolarHBondContact CD-O 3.5Å; K91-L232 WeakPolarHBondContact CE-O 3.19Å; K91-C302 HydrophobicContact CG-CB 4.17Å |
| 92 | T | 93.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.331 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -36.5 | 177.6 | -44.7 | 0 | 0 | 0 | 0 | 112.5 | T94 M95 E96 G97 D231 | T92-T94 VanDerWaalsContact C-N 3.26Å; T92-T94 PolarHBondContact O-N 3.04Å; T92-M95 PolarHBondContact O-N 3.04Å; T92-E96 PolarHBondContact O-N 3.3Å; T92-G97 PolarHBondContact O-N 3.26Å; T92-G97 VanDerWaalsContact O-N 3.11Å; T92-D231 VanDerWaalsContact CA-OD2 3.29Å; T92-D231 WeakPolarHBondContact CA-OD2 3.25Å; T92-D231 WeakPolarHBondContact CB-OD2 3.15Å; T92-D231 PolarHBondContact OG1-OD2 3.42Å |
| 93 | H | 95.5 | Very high | 93.8 | Very high | 86 Ų | 86 | 43.4 Ų | 43.4 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -37.8 | 172.5 | 179.9 | 75 | 0 | 0 | 0 | 111.5 | Q58 G90 K91 G97 | Q58-H93 PolarHBondContact NE2-O 3.48Å; G90-H93 PolarHBondContact O-N 2.78Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 3.46Å; H93-G97 WeakPolarHBondContact O-CA 3.33Å; H93-G97 PolarHBondContact O-N 2.99Å; H93-G97 VanDerWaalsContact O-N 3.09Å |
| 94 | T | 98 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71 | -46.8 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | R14 V61 G90 K91 T92 G106 I107 I300 | R14-T94 WeakPolarHBondContact CD-OG1 3.23Å; R14-T94 VanDerWaalsContact NH1-CA 3.29Å; R14-T94 VanDerWaalsContact NH1-CB 3.33Å; R14-T94 PolarHBondContact NH1-OG1 3.15Å; V61-T94 HydrophobicContact CG1-CG2 3.96Å; G90-T94 WeakPolarHBondContact O-CB 3.45Å; G90-T94 PolarHBondContact O-N 3.34Å; G90-T94 PolarHBondContact O-OG1 2.74Å; K91-T94 WeakPolarHBondContact O-CA 3.37Å; K91-T94 VanDerWaalsContact O-CB 3.29Å; K91-T94 WeakPolarHBondContact O-CB 3.45Å; K91-T94 PolarHBondContact O-N 3.09Å; T92-T94 VanDerWaalsContact C-N 3.26Å; T92-T94 PolarHBondContact O-N 3.04Å; T94-G106 WeakPolarHBondContact O-CA 3.47Å; T94-I107 HydrophobicContact CG2-CD1 3.79Å; T94-I107 HydrophobicContact CG2-CG1 4.46Å; T94-I107 WeakPolarHBondContact O-CG1 3.15Å; T94-I107 PolarHBondContact O-N 2.55Å; T94-I300 HydrophobicContact CG2-CD1 3.96Å; T94-I300 HydrophobicContact CG2-CG2 4.2Å |
| 95 | M | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.5 | -48.3 | -175.4 | -66.1 | -57.3 | -69.4 | 0 | 0 | 112.1 | I81 A83 K91 T92 G106 I107 I108 L229 D231 | I81-M95 HydrophobicContact CG2-CE 4.48Å; I81-M95 HydrophobicContact CG2-SD 4.3Å; A83-M95 HydrophobicContact CB-CG 3.52Å; A83-M95 HydrophobicContact CB-SD 3.9Å; K91-M95 PolarHBondContact O-N 3.34Å; T92-M95 PolarHBondContact O-N 3.04Å; M95-G106 CarbonylContact O-C 3.59Å; M95-I107 PolarHBondContact O-N 2.92Å; M95-I107 HydrophobicContact SD-CD1 4.42Å; M95-I108 HydrophobicContact CB-CD1 4.16Å; M95-I108 HydrophobicContact CB-CG1 4.49Å; M95-I108 HydrophobicContact CE-CD1 4.36Å; M95-I108 HydrophobicContact CE-CG1 4.22Å; M95-I108 WeakPolarHBondContact O-CB 3.11Å; M95-I108 VanDerWaalsContact O-CG1 3.31Å; M95-I108 WeakPolarHBondContact O-CG1 3.29Å; M95-I108 PolarHBondContact O-N 3.41Å; M95-L229 HydrophobicContact CE-CB 3.74Å; M95-L229 HydrophobicContact CE-CD2 4.44Å; M95-D231 HydrophobicContact CB-CB 4.48Å; M95-D231 HydrophobicContact CG-CB 4.17Å |
| 96 | E | 93.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -42.4 | -174.3 | -64 | 173.5 | -156.5 | 0 | 0 | 112.1 | T92 L99 G106 I108 Y134 K187 | T92-E96 PolarHBondContact O-N 3.3Å; E96-L99 HydrophobicContact CB-CD2 4.02Å; E96-G106 WeakPolarHBondContact O-CA 3.4Å; E96-G106 PolarHBondContact O-N 2.98Å; E96-I108 HydrophobicContact CG-CD1 3.99Å; E96-Y134 PolarHBondContact OE1-OH 3.38Å; E96-K187 WeakPolarHBondContact OE2-CD 3.44Å; E96-K187 WeakPolarHBondContact OE2-CE 3.2Å; E96-K187 IonicContact OE2-NZ 2.67Å; E96-K187 PolarHBondContact OE2-NZ 3.06Å |
| 97 | G | 93.8 | Very high | 94.2 | Very high | 18 Ų | 18 | 45 Ų | 45 | 19% | 0.186 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | 60.5 | -142.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T92 H93 L104 | T92-G97 PolarHBondContact O-N 3.26Å; T92-G97 VanDerWaalsContact O-N 3.11Å; H93-G97 WeakPolarHBondContact O-CA 3.33Å; H93-G97 PolarHBondContact O-N 2.99Å; H93-G97 VanDerWaalsContact O-N 3.09Å; G97-L104 WeakPolarHBondContact CA-O 3.31Å |
| 98 | K | 92.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 44 Ų | 44 | 55% | 0.548 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -95.2 | 105.2 | 165.7 | -69 | -172.4 | -174.4 | 176.2 | 0 | 108.2 | H100 D101 L104 M105 | K98-H100 VanDerWaalsContact C-N 3.27Å; K98-H100 PolarHBondContact O-N 2.85Å; K98-H100 VanDerWaalsContact O-N 3.15Å; K98-D101 HydrophobicContact CB-CB 3.66Å; K98-D101 HydrophobicContact CD-CB 4.31Å; K98-D101 PolarHBondContact O-N 3.2Å; K98-L104 HydrophobicContact CB-CB 4.02Å; K98-L104 HydrophobicContact CD-CB 4.19Å; K98-L104 HydrophobicContact CD-CD1 3.82Å; K98-L104 HydrophobicContact CG-CB 4.22Å; K98-L104 PolarHBondContact N-O 3.01Å; K98-M105 WeakPolarHBondContact O-CA 3.46Å; K98-M105 WeakPolarHBondContact O-CB 3.32Å; K98-M105 PolarHBondContact O-N 2.73Å |
| 99 | L | 89.9 | Confident | 94.8 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -44.6 | -168.8 | -65.8 | 170.4 | 0 | 0 | 0 | 113.5 | E96 P109 I183 D184 K187 | E96-L99 HydrophobicContact CB-CD2 4.02Å; L99-P109 HydrophobicContact CD2-CG 4.27Å; L99-I183 HydrophobicContact CD1-CG2 3.72Å; L99-I183 HydrophobicContact CD2-CG2 4.01Å; L99-D184 WeakPolarHBondContact CD1-OD1 3.45Å; L99-K187 HydrophobicContact CD1-CD 3.89Å |
| 100 | H | 89.3 | Confident | 95 | Very high | 131 Ų | 131 | 41.2 Ų | 41.2 | 61% | 0.606 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.8 | -174.7 | -56.8 | -59.6 | 0 | 0 | 0 | 114.5 | K98 D184 | K98-H100 VanDerWaalsContact C-N 3.27Å; K98-H100 PolarHBondContact O-N 2.85Å; K98-H100 VanDerWaalsContact O-N 3.15Å; H100-D184 IonicContact CD2-OD2 3.76Å; H100-D184 IonicContact CE1-OD2 2.81Å; H100-D184 PolarHBondContact CE1-OD2 3.2Å; H100-D184 IonicContact NE2-OD2 3.36Å; H100-D184 PolarHBondContact NE2-OD2 3.16Å |
| 101 | D | 95.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | trans | -102.4 | 115.3 | 178.7 | -175.1 | -50.4 | 0 | 0 | 0 | 110.3 | K98 Q103 L104 M105 | K98-D101 HydrophobicContact CB-CB 3.66Å; K98-D101 HydrophobicContact CD-CB 4.31Å; K98-D101 PolarHBondContact O-N 3.2Å; D101-Q103 PolarHBondContact O-N 3.36Å; D101-Q103 PolarHBondContact OD1-N 3.42Å; D101-L104 HydrophobicContact CB-CB 3.97Å; D101-L104 PolarHBondContact O-N 2.67Å; D101-L104 PolarHBondContact OD1-N 3.21Å; D101-M105 WeakPolarHBondContact O-CB 3.26Å; D101-M105 PolarHBondContact O-N 3.29Å | ||
| 102 | P | 92.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 40 Ų | 40 | 62% | 0.617 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.1 | -176 | -29.7 | 36.5 | 0 | 0 | 0 | 115.4 | M105 R110 | P102-M105 VanDerWaalsContact CA-CE 3.49Å; P102-M105 HydrophobicContact CB-CE 4.44Å; P102-R110 PolarHBondContact O-NH2 2.86Å |
| 103 | Q | 94.7 | Very high | 95.2 | Very high | 158 Ų | 158 | 41 Ų | 41 | 74% | 0.738 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -37.6 | -177 | -63.6 | -178.4 | 1.5 | 0 | 0 | 111.5 | D101 R110 | D101-Q103 PolarHBondContact O-N 3.36Å; D101-Q103 PolarHBondContact OD1-N 3.42Å; Q103-R110 PolarHBondContact O-NH2 3.46Å |
| 104 | L | 95.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.3 | -172.8 | -58.9 | -179.7 | 0 | 0 | 0 | 114 | Q58 G97 K98 D101 | Q58-L104 PolarHBondContact NE2-O 2.68Å; G97-L104 WeakPolarHBondContact CA-O 3.31Å; K98-L104 HydrophobicContact CB-CB 4.02Å; K98-L104 HydrophobicContact CD-CB 4.19Å; K98-L104 HydrophobicContact CD-CD1 3.82Å; K98-L104 HydrophobicContact CG-CB 4.22Å; K98-L104 PolarHBondContact N-O 3.01Å; D101-L104 HydrophobicContact CB-CB 3.97Å; D101-L104 PolarHBondContact O-N 2.67Å; D101-L104 PolarHBondContact OD1-N 3.21Å |
| 105 | M | 96.8 | Very high | 95 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 5% | 0.054 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 138.8 | 173 | 74.4 | 163.7 | 94.5 | 0 | 0 | 111.3 | Q58 K98 D101 P102 P109 R110 | Q58-M105 VanDerWaalsContact CB-O 3.26Å; Q58-M105 WeakPolarHBondContact CB-O 3.28Å; K98-M105 WeakPolarHBondContact O-CA 3.46Å; K98-M105 WeakPolarHBondContact O-CB 3.32Å; K98-M105 PolarHBondContact O-N 2.73Å; D101-M105 WeakPolarHBondContact O-CB 3.26Å; D101-M105 PolarHBondContact O-N 3.29Å; P102-M105 VanDerWaalsContact CA-CE 3.49Å; P102-M105 HydrophobicContact CB-CE 4.44Å; M105-P109 HydrophobicContact CB-CB 4.12Å; M105-P109 HydrophobicContact CB-CG 3.61Å; M105-P109 HydrophobicContact CG-CB 4.49Å; M105-P109 HydrophobicContact CG-CG 4.18Å; M105-P109 HydrophobicContact SD-CB 3.91Å; M105-P109 HydrophobicContact SD-CG 4.22Å; M105-R110 HydrophobicContact CG-CG 3.87Å; M105-R110 PolarHBondContact O-NE 2.99Å; M105-R110 PolarHBondContact O-NH2 3.06Å; M105-R110 HydrophobicContact SD-CG 3.68Å |
| 106 | G | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -84 | -157.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T94 M95 E96 P109 R110 | T94-G106 WeakPolarHBondContact O-CA 3.47Å; M95-G106 CarbonylContact O-C 3.59Å; E96-G106 WeakPolarHBondContact O-CA 3.4Å; E96-G106 PolarHBondContact O-N 2.98Å; G106-P109 WeakPolarHBondContact O-CG 3.43Å; G106-R110 VanDerWaalsContact O-CD 3.31Å; G106-R110 WeakPolarHBondContact O-CD 3.24Å; G106-R110 WeakPolarHBondContact O-CG 3.48Å | ||
| 107 | I | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -50.4 | -177 | -71 | 174.2 | 0 | 0 | 0 | 112.3 | V61 A66 I81 T94 M95 R110 I111 I300 | V61-I107 HydrophobicContact CG1-CD1 4.18Å; V61-I107 HydrophobicContact CG1-CG1 4.5Å; A66-I107 HydrophobicContact CB-CG2 3.83Å; I81-I107 HydrophobicContact CD1-CG2 4.16Å; I81-I107 HydrophobicContact CG2-CD1 4.4Å; T94-I107 HydrophobicContact CG2-CD1 3.79Å; T94-I107 HydrophobicContact CG2-CG1 4.46Å; T94-I107 WeakPolarHBondContact O-CG1 3.15Å; T94-I107 PolarHBondContact O-N 2.55Å; M95-I107 PolarHBondContact O-N 2.92Å; M95-I107 HydrophobicContact SD-CD1 4.42Å; I107-R110 PolarHBondContact O-N 2.99Å; I107-I111 HydrophobicContact CG2-CD1 3.36Å; I107-I111 HydrophobicContact CG2-CG1 4Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.32Å; I107-I111 PolarHBondContact O-N 3.43Å; I107-I300 HydrophobicContact CD1-CD1 3.22Å |
| 108 | I | 96.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.2 | -53.4 | -176.6 | -59.4 | 172.4 | 0 | 0 | 0 | 111.8 | M95 E96 R110 I111 A112 I183 F208 L229 | M95-I108 HydrophobicContact CB-CD1 4.16Å; M95-I108 HydrophobicContact CB-CG1 4.49Å; M95-I108 HydrophobicContact CE-CD1 4.36Å; M95-I108 HydrophobicContact CE-CG1 4.22Å; M95-I108 WeakPolarHBondContact O-CB 3.11Å; M95-I108 VanDerWaalsContact O-CG1 3.31Å; M95-I108 WeakPolarHBondContact O-CG1 3.29Å; M95-I108 PolarHBondContact O-N 3.41Å; E96-I108 HydrophobicContact CG-CD1 3.99Å; I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 3.01Å; I108-I111 WeakPolarHBondContact O-CB 3.4Å; I108-I111 PolarHBondContact O-N 3.39Å; I108-A112 PolarHBondContact O-N 3.09Å; I108-I183 HydrophobicContact CG2-CD1 3.46Å; I108-I183 VanDerWaalsContact CG2-CD1 3.46Å; I108-I183 HydrophobicContact CG2-CG1 4.45Å; I108-F208 HydrophobicContact CG2-CD1 4.21Å; I108-F208 HydrophobicContact CG2-CE1 4.41Å; I108-L229 HydrophobicContact CB-CD1 4.22Å; I108-L229 HydrophobicContact CD1-CB 4.33Å; I108-L229 HydrophobicContact CG1-CB 4.08Å; I108-L229 HydrophobicContact CG1-CD1 3.73Å; I108-L229 HydrophobicContact CG1-CG 4.44Å; I108-L229 HydrophobicContact CG2-CD1 4.1Å |
| 109 | P | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -34.4 | -179.6 | 22.7 | -34.4 | 0 | 0 | 0 | 113.4 | L99 M105 G106 A112 Q113 M180 | L99-P109 HydrophobicContact CD2-CG 4.27Å; M105-P109 HydrophobicContact CB-CB 4.12Å; M105-P109 HydrophobicContact CB-CG 3.61Å; M105-P109 HydrophobicContact CG-CB 4.49Å; M105-P109 HydrophobicContact CG-CG 4.18Å; M105-P109 HydrophobicContact SD-CB 3.91Å; M105-P109 HydrophobicContact SD-CG 4.22Å; G106-P109 WeakPolarHBondContact O-CG 3.43Å; P109-A112 PolarHBondContact O-N 3.05Å; P109-Q113 PolarHBondContact O-N 3.41Å; P109-M180 VanDerWaalsContact CA-CE 3.42Å; P109-M180 HydrophobicContact CB-CE 3.27Å; P109-M180 HydrophobicContact CB-SD 3.74Å |
| 110 | R | 97.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 175.1 | -68 | 173.9 | -172.4 | -73 | -7.8 | 112.6 | Y62 P102 Q103 M105 G106 I107 I108 A112 Q113 D114 | Y62-R110 HydrophobicContact CD1-CB 4.13Å; Y62-R110 HydrophobicContact CD2-CB 3.66Å; Y62-R110 HydrophobicContact CE1-CB 4.33Å; Y62-R110 HydrophobicContact CE2-CB 3.93Å; Y62-R110 HydrophobicContact CG-CB 3.8Å; Y62-R110 HydrophobicContact CG-CG 4.39Å; P102-R110 PolarHBondContact O-NH2 2.86Å; Q103-R110 PolarHBondContact O-NH2 3.46Å; M105-R110 HydrophobicContact CG-CG 3.87Å; M105-R110 PolarHBondContact O-NE 2.99Å; M105-R110 PolarHBondContact O-NH2 3.06Å; M105-R110 HydrophobicContact SD-CG 3.68Å; G106-R110 VanDerWaalsContact O-CD 3.31Å; G106-R110 WeakPolarHBondContact O-CD 3.24Å; G106-R110 WeakPolarHBondContact O-CG 3.48Å; I107-R110 PolarHBondContact O-N 2.99Å; I108-R110 VanDerWaalsContact C-N 3.31Å; I108-R110 PolarHBondContact O-N 3.01Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-Q113 PolarHBondContact O-N 3.34Å; R110-D114 WeakPolarHBondContact O-CB 3.32Å; R110-D114 PolarHBondContact O-N 3.26Å |
| 111 | I | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 173.6 | -72.9 | 174.9 | 0 | 0 | 0 | 110.4 | Y62 A66 V70 I81 I107 I108 Q113 D114 I115 I210 L227 L229 | Y62-I111 HydrophobicContact CD2-CG1 4.4Å; Y62-I111 HydrophobicContact CE2-CG1 3.67Å; A66-I111 HydrophobicContact CB-CD1 4.28Å; A66-I111 HydrophobicContact CB-CG1 4.47Å; V70-I111 HydrophobicContact CG2-CB 4.28Å; V70-I111 HydrophobicContact CG2-CD1 4.3Å; V70-I111 HydrophobicContact CG2-CG1 3.69Å; V70-I111 HydrophobicContact CG2-CG2 4.05Å; I81-I111 HydrophobicContact CD1-CD1 3.91Å; I107-I111 HydrophobicContact CG2-CD1 3.36Å; I107-I111 HydrophobicContact CG2-CG1 4Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.32Å; I107-I111 PolarHBondContact O-N 3.43Å; I108-I111 WeakPolarHBondContact O-CB 3.4Å; I108-I111 PolarHBondContact O-N 3.39Å; I111-Q113 PolarHBondContact O-N 3.04Å; I111-D114 PolarHBondContact O-N 3.12Å; I111-I115 HydrophobicContact CG2-CD1 3.51Å; I111-I115 HydrophobicContact CG2-CG1 4.19Å; I111-I115 WeakPolarHBondContact O-CB 3.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.26Å; I111-I115 PolarHBondContact O-N 2.94Å; I111-I210 HydrophobicContact CG2-CD1 3.89Å; I111-L227 HydrophobicContact CD1-CD2 4.16Å; I111-L227 HydrophobicContact CG2-CD2 3.8Å; I111-L229 HydrophobicContact CD1-CD1 3.96Å; I111-L229 HydrophobicContact CD1-CD2 3.53Å; I111-L229 HydrophobicContact CD1-CG 4.42Å |
| 112 | A | 95.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58 | -50.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I108 P109 R110 I115 F116 V179 M180 | I108-A112 PolarHBondContact O-N 3.09Å; P109-A112 PolarHBondContact O-N 3.05Å; R110-A112 VanDerWaalsContact C-N 3.32Å; A112-I115 PolarHBondContact O-N 3.25Å; A112-F116 VanDerWaalsContact O-CD2 3.24Å; A112-F116 WeakPolarHBondContact O-CD2 3.46Å; A112-F116 PolarHBondContact O-N 2.93Å; A112-V179 HydrophobicContact CB-CB 4.09Å; A112-V179 HydrophobicContact CB-CG1 3.75Å; A112-M180 HydrophobicContact CB-CE 4.34Å |
| 113 | Q | 95 | Very high | 93.3 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -54.1 | 176 | -70 | 180 | -11.7 | 0 | 0 | 112.1 | P109 R110 I111 I115 F116 D117 | P109-Q113 PolarHBondContact O-N 3.41Å; R110-Q113 PolarHBondContact O-N 3.34Å; I111-Q113 PolarHBondContact O-N 3.04Å; Q113-I115 VanDerWaalsContact C-N 3.3Å; Q113-I115 PolarHBondContact O-N 2.8Å; Q113-F116 PolarHBondContact O-N 2.68Å; Q113-F116 VanDerWaalsContact O-N 3.16Å; Q113-D117 WeakPolarHBondContact O-CB 3.11Å; Q113-D117 PolarHBondContact O-N 2.87Å |
| 114 | D | 95.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -35.7 | -177.3 | -93.5 | 32.4 | 0 | 0 | 0 | 112.8 | Y62 V70 R110 I111 H118 | Y62-D114 VanDerWaalsContact CE1-OD2 3.27Å; Y62-D114 WeakPolarHBondContact CE1-OD2 3.24Å; Y62-D114 VanDerWaalsContact CZ-OD2 3.26Å; Y62-D114 VanDerWaalsContact OH-CB 3.23Å; Y62-D114 WeakPolarHBondContact OH-CB 3.47Å; Y62-D114 PolarHBondContact OH-OD2 2.97Å; V70-D114 HydrophobicContact CG1-CB 4.43Å; R110-D114 WeakPolarHBondContact O-CB 3.32Å; R110-D114 PolarHBondContact O-N 3.26Å; I111-D114 PolarHBondContact O-N 3.12Å; D114-H118 WeakPolarHBondContact O-CB 3.49Å; D114-H118 PolarHBondContact O-N 3.3Å; D114-H118 PolarHBondContact O-ND1 2.87Å |
| 115 | I | 95.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -51.4 | 176.1 | -75.1 | 166.5 | 0 | 0 | 0 | 110.1 | V70 I111 A112 Q113 H118 I119 I130 I210 I212 | V70-I115 HydrophobicContact CG1-CG1 3.78Å; I111-I115 HydrophobicContact CG2-CD1 3.51Å; I111-I115 HydrophobicContact CG2-CG1 4.19Å; I111-I115 WeakPolarHBondContact O-CB 3.49Å; I111-I115 WeakPolarHBondContact O-CG1 3.26Å; I111-I115 PolarHBondContact O-N 2.94Å; A112-I115 PolarHBondContact O-N 3.25Å; Q113-I115 VanDerWaalsContact C-N 3.3Å; Q113-I115 PolarHBondContact O-N 2.8Å; I115-H118 PolarHBondContact O-N 3.03Å; I115-I119 HydrophobicContact CG2-CD1 3.78Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.12Å; I115-I130 HydrophobicContact CG2-CD1 3.91Å; I115-I210 HydrophobicContact CD1-CD1 4.02Å; I115-I210 HydrophobicContact CD1-CG2 4.12Å; I115-I212 HydrophobicContact CD1-CD1 3.79Å; I115-I212 HydrophobicContact CG1-CD1 3.99Å; I115-I212 HydrophobicContact CG2-CD1 3.95Å |
| 116 | F | 94.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.4 | -37.6 | -177.9 | -77 | -75.9 | 0 | 0 | 0 | 112.1 | A112 Q113 H118 I119 Y120 I130 V173 S174 S175 P176 V179 | A112-F116 VanDerWaalsContact O-CD2 3.24Å; A112-F116 WeakPolarHBondContact O-CD2 3.46Å; A112-F116 PolarHBondContact O-N 2.93Å; Q113-F116 PolarHBondContact O-N 2.68Å; Q113-F116 VanDerWaalsContact O-N 3.16Å; F116-H118 VanDerWaalsContact C-N 3.28Å; F116-H118 PolarHBondContact O-N 2.63Å; F116-I119 PolarHBondContact O-N 3.38Å; F116-I119 VanDerWaalsContact O-N 3.08Å; F116-Y120 HydrophobicContact CB-CD2 4.48Å; F116-Y120 HydrophobicContact CB-CE2 3.86Å; F116-Y120 WeakPolarHBondContact O-CD2 3.31Å; F116-Y120 PolarHBondContact O-N 3.47Å; F116-I130 HydrophobicContact CD1-CD1 4.3Å; F116-I130 HydrophobicContact CE1-CD1 3.6Å; F116-I130 HydrophobicContact CE2-CD1 4.21Å; F116-I130 HydrophobicContact CZ-CD1 3.56Å; F116-V173 HydrophobicContact CZ-CG2 4.4Å; F116-S174 VanDerWaalsContact CE1-O 3.31Å; F116-S174 WeakPolarHBondContact CE1-O 3.33Å; F116-S175 WeakPolarHBondContact CE2-O 3.49Å; F116-S175 VanDerWaalsContact CZ-C 3.43Å; F116-S175 VanDerWaalsContact CZ-N 3.33Å; F116-S175 WeakPolarHBondContact CZ-O 3.18Å; F116-P176 HydrophobicContact CB-CG 3.74Å; F116-P176 HydrophobicContact CD2-CB 4.2Å; F116-P176 HydrophobicContact CD2-CG 3.61Å; F116-P176 HydrophobicContact CE2-CG 4.46Å; F116-P176 HydrophobicContact CG-CG 3.83Å; F116-V179 HydrophobicContact CE2-CG2 3.9Å |
| 117 | D | 93.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 173.4 | -72.4 | -15.2 | 0 | 0 | 0 | 111.9 | Q113 S121 | Q113-D117 WeakPolarHBondContact O-CB 3.11Å; Q113-D117 PolarHBondContact O-N 2.87Å; D117-S121 PolarHBondContact O-N 3.28Å; D117-S121 PolarHBondContact O-OG 3.01Å |
| 118 | H | 90.3 | Very high | 91.4 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 171.8 | -79.8 | 73.5 | 0 | 0 | 0 | 111.2 | L74 D114 I115 F116 Y120 S121 M122 | L74-H118 HydrophobicContact CD1-CB 3.56Å; D114-H118 WeakPolarHBondContact O-CB 3.49Å; D114-H118 PolarHBondContact O-N 3.3Å; D114-H118 PolarHBondContact O-ND1 2.87Å; I115-H118 PolarHBondContact O-N 3.03Å; F116-H118 VanDerWaalsContact C-N 3.28Å; F116-H118 PolarHBondContact O-N 2.63Å; H118-Y120 VanDerWaalsContact C-N 3.32Å; H118-Y120 PolarHBondContact O-N 3.36Å; H118-S121 WeakPolarHBondContact CA-OG 3.22Å; H118-S121 CarbonylContact O-C 3.56Å; H118-S121 PolarHBondContact O-N 3.35Å; H118-S121 VanDerWaalsContact O-N 3.08Å; H118-S121 PolarHBondContact O-OG 2.9Å; H118-M122 WeakPolarHBondContact O-CG 3.31Å; H118-M122 PolarHBondContact O-N 3.04Å; H118-M122 VanDerWaalsContact O-N 3.13Å |
| 119 | I | 89.2 | Confident | 91.4 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 179.6 | -70.3 | 167.1 | 0 | 0 | 0 | 111.3 | I115 F116 S121 M122 F128 I130 | I115-I119 HydrophobicContact CG2-CD1 3.78Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.45Å; I115-I119 PolarHBondContact O-N 3.12Å; F116-I119 PolarHBondContact O-N 3.38Å; F116-I119 VanDerWaalsContact O-N 3.08Å; I119-S121 PolarHBondContact O-N 3.32Å; I119-M122 PolarHBondContact O-N 2.9Å; I119-F128 HydrophobicContact CB-CD2 4.46Å; I119-F128 HydrophobicContact CD1-CB 4.18Å; I119-F128 HydrophobicContact CD1-CD1 4.08Å; I119-F128 HydrophobicContact CD1-CG 4.07Å; I119-F128 HydrophobicContact CG1-CD1 3.91Å; I119-F128 HydrophobicContact CG1-CD2 4.1Å; I119-F128 HydrophobicContact CG1-CE1 4.1Å; I119-F128 HydrophobicContact CG1-CE2 4.28Å; I119-F128 HydrophobicContact CG1-CG 3.91Å; I119-F128 HydrophobicContact CG1-CZ 4.28Å; I119-F128 HydrophobicContact CG2-CB 4.44Å; I119-F128 HydrophobicContact CG2-CD2 3.78Å; I119-F128 HydrophobicContact CG2-CE2 4.26Å; I119-F128 HydrophobicContact CG2-CG 4.16Å; I119-I130 HydrophobicContact CD1-CD1 3.49Å; I119-I130 VanDerWaalsContact CD1-CD1 3.49Å; I119-I130 HydrophobicContact CD1-CG1 4.25Å |
| 120 | Y | 90.3 | Very high | 91.4 | Very high | 146 Ų | 146 | 59.1 Ų | 59.1 | 57% | 0.573 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.3 | -17.1 | 178 | -58.7 | -34.7 | 0 | 0 | 0 | 114 | F116 H118 | F116-Y120 HydrophobicContact CB-CD2 4.48Å; F116-Y120 HydrophobicContact CB-CE2 3.86Å; F116-Y120 WeakPolarHBondContact O-CD2 3.31Å; F116-Y120 PolarHBondContact O-N 3.47Å; H118-Y120 VanDerWaalsContact C-N 3.32Å; H118-Y120 PolarHBondContact O-N 3.36Å |
| 121 | S | 89.3 | Confident | 91.4 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -103.4 | -0.4 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | D117 H118 I119 | D117-S121 PolarHBondContact O-N 3.28Å; D117-S121 PolarHBondContact O-OG 3.01Å; H118-S121 WeakPolarHBondContact CA-OG 3.22Å; H118-S121 CarbonylContact O-C 3.56Å; H118-S121 PolarHBondContact O-N 3.35Å; H118-S121 VanDerWaalsContact O-N 3.08Å; H118-S121 PolarHBondContact O-OG 2.9Å; I119-S121 PolarHBondContact O-N 3.32Å |
| 122 | M | 84.2 | Confident | 91.4 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -83.5 | 167.6 | 178.6 | -77.7 | -71 | 173.9 | 0 | 0 | 112.6 | H118 I119 L126 F128 | H118-M122 WeakPolarHBondContact O-CG 3.31Å; H118-M122 PolarHBondContact O-N 3.04Å; H118-M122 VanDerWaalsContact O-N 3.13Å; I119-M122 PolarHBondContact O-N 2.9Å; M122-L126 HydrophobicContact CB-CD1 4.36Å; M122-L126 HydrophobicContact SD-CD1 4.32Å; M122-F128 HydrophobicContact CB-CE2 4.18Å; M122-F128 HydrophobicContact CB-CZ 4.36Å; M122-F128 HydrophobicContact CG-CZ 4.22Å |
| 123 | D | 75.8 | Confident | 91.5 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | trans | -58.1 | 139.4 | 177.4 | -164.7 | -32.8 | 0 | 0 | 0 | 111.4 | N125 L126 | D123-N125 PolarHBondContact O-N 2.79Å; D123-N125 VanDerWaalsContact O-N 3.08Å; D123-N125 WeakPolarHBondContact OD1-CB 3.46Å; D123-N125 PolarHBondContact OD1-N 2.95Å; D123-L126 PolarHBondContact O-N 3.26Å; D123-L126 VanDerWaalsContact O-N 3.12Å | ||
| 124 | E | 81.6 | Confident | 91.6 | Very high | 196 Ų | 196 | 57 Ų | 57 | 92% | 0.916 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19 | 176.6 | -63.7 | -176.9 | 175.3 | 0 | 0 | 112.3 | L126 | E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 3.06Å |
| 125 | N | 87.8 | Confident | 91.6 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -1.3 | 178.3 | -71.8 | -30.1 | 0 | 0 | 0 | 115 | D123 N216 V217 E218 | D123-N125 PolarHBondContact O-N 2.79Å; D123-N125 VanDerWaalsContact O-N 3.08Å; D123-N125 WeakPolarHBondContact OD1-CB 3.46Å; D123-N125 PolarHBondContact OD1-N 2.95Å; N125-N216 WeakPolarHBondContact O-CA 3.27Å; N125-V217 PolarHBondContact O-N 3.08Å; N125-E218 HydrophobicContact CB-CG 4.5Å; N125-E218 PolarHBondContact ND2-OE1 3.43Å |
| 126 | L | 89.9 | Confident | 91.6 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.6 | 177.8 | -69.1 | 172.9 | 0 | 0 | 0 | 111.2 | M122 D123 E124 F128 N216 | M122-L126 HydrophobicContact CB-CD1 4.36Å; M122-L126 HydrophobicContact SD-CD1 4.32Å; D123-L126 PolarHBondContact O-N 3.26Å; D123-L126 VanDerWaalsContact O-N 3.12Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 3.06Å; L126-F128 HydrophobicContact CB-CD2 4.34Å; L126-F128 HydrophobicContact CB-CE2 3.59Å; L126-F128 HydrophobicContact CB-CZ 4.07Å; L126-F128 HydrophobicContact CD1-CE2 4.43Å; L126-F128 HydrophobicContact CD1-CZ 4.21Å; L126-N216 HydrophobicContact CD2-CB 3.73Å |
| 127 | E | 91.6 | Very high | 91.4 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.7 | 173.1 | -171.9 | 177.6 | -174.1 | 0 | 0 | 110.5 | H129 Q214 E215 V217 | E127-H129 IonicContact OE1-CE1 2.74Å; E127-H129 PolarHBondContact OE1-CE1 2.86Å; E127-H129 IonicContact OE1-NE2 2.86Å; E127-Q214 CarbonylContact O-C 3.59Å; E127-Q214 VanDerWaalsContact O-CA 3.25Å; E127-Q214 WeakPolarHBondContact O-CA 3.38Å; E127-E215 PolarHBondContact N-O 2.9Å; E127-E215 PolarHBondContact O-N 3.47Å; E127-V217 HydrophobicContact CB-CG2 4.45Å |
| 128 | F | 93.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 18% | 0.18 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.7 | -178.8 | -68.6 | -92.2 | 0 | 0 | 0 | 112.1 | I119 M122 L126 I212 K213 Q214 | I119-F128 HydrophobicContact CB-CD2 4.46Å; I119-F128 HydrophobicContact CD1-CB 4.18Å; I119-F128 HydrophobicContact CD1-CD1 4.08Å; I119-F128 HydrophobicContact CD1-CG 4.07Å; I119-F128 HydrophobicContact CG1-CD1 3.91Å; I119-F128 HydrophobicContact CG1-CD2 4.1Å; I119-F128 HydrophobicContact CG1-CE1 4.1Å; I119-F128 HydrophobicContact CG1-CE2 4.28Å; I119-F128 HydrophobicContact CG1-CG 3.91Å; I119-F128 HydrophobicContact CG1-CZ 4.28Å; I119-F128 HydrophobicContact CG2-CB 4.44Å; I119-F128 HydrophobicContact CG2-CD2 3.78Å; I119-F128 HydrophobicContact CG2-CE2 4.26Å; I119-F128 HydrophobicContact CG2-CG 4.16Å; M122-F128 HydrophobicContact CB-CE2 4.18Å; M122-F128 HydrophobicContact CB-CZ 4.36Å; M122-F128 HydrophobicContact CG-CZ 4.22Å; L126-F128 HydrophobicContact CB-CD2 4.34Å; L126-F128 HydrophobicContact CB-CE2 3.59Å; L126-F128 HydrophobicContact CB-CZ 4.07Å; L126-F128 HydrophobicContact CD1-CE2 4.43Å; L126-F128 HydrophobicContact CD1-CZ 4.21Å; F128-I212 HydrophobicContact CD1-CG2 4.15Å; F128-K213 CarbonylContact C-O 3.56Å; F128-K213 WeakPolarHBondContact CA-O 3.48Å; F128-Q214 HydrophobicContact CD1-CB 3.67Å; F128-Q214 HydrophobicContact CE1-CB 3.6Å; F128-Q214 HydrophobicContact CE1-CG 4.41Å; F128-Q214 HydrophobicContact CG-CB 4.39Å; F128-Q214 HydrophobicContact CZ-CB 4.25Å |
| 129 | H | 94.7 | Very high | 90.8 | Very high | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 108.6 | 172.5 | -70.7 | 81.7 | 0 | 0 | 0 | 109.1 | E127 K213 | E127-H129 IonicContact OE1-CE1 2.74Å; E127-H129 PolarHBondContact OE1-CE1 2.86Å; E127-H129 IonicContact OE1-NE2 2.86Å; H129-K213 HydrophobicContact CB-CB 4.21Å; H129-K213 PolarHBondContact N-O 3.13Å; H129-K213 PolarHBondContact O-N 2.74Å |
| 130 | I | 96.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.6 | 179.8 | -48.2 | 174.8 | 0 | 0 | 0 | 109.2 | I115 F116 I119 F172 V173 I210 N211 | I115-I130 HydrophobicContact CG2-CD1 3.91Å; F116-I130 HydrophobicContact CD1-CD1 4.3Å; F116-I130 HydrophobicContact CE1-CD1 3.6Å; F116-I130 HydrophobicContact CE2-CD1 4.21Å; F116-I130 HydrophobicContact CZ-CD1 3.56Å; I119-I130 HydrophobicContact CD1-CD1 3.49Å; I119-I130 VanDerWaalsContact CD1-CD1 3.49Å; I119-I130 HydrophobicContact CD1-CG1 4.25Å; I130-F172 WeakPolarHBondContact O-CA 3.29Å; I130-V173 HydrophobicContact CB-CG2 3.87Å; I130-V173 HydrophobicContact CG2-CG2 3.58Å; I130-V173 PolarHBondContact O-N 3.13Å; I130-V173 VanDerWaalsContact O-N 3.15Å; I130-I210 HydrophobicContact CG2-CG2 3.86Å; I130-N211 WeakPolarHBondContact CA-O 3.48Å |
| 131 | K | 97.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 20% | 0.2 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.4 | 172.5 | -67.8 | 174.4 | 162.5 | -163.3 | 0 | 110.4 | E170 R171 F172 N211 | K131-E170 HydrophobicContact CD-CB 4.33Å; K131-E170 WeakPolarHBondContact CD-OE2 3.42Å; K131-E170 IonicContact NZ-OE2 2.75Å; K131-E170 PolarHBondContact NZ-OE2 2.73Å; K131-R171 CarbonylContact C-O 3.55Å; K131-R171 VanDerWaalsContact CA-O 3.25Å; K131-R171 WeakPolarHBondContact CA-O 2.88Å; K131-F172 HydrophobicContact CD-CE1 4.07Å; K131-F172 HydrophobicContact CD-CZ 4.21Å; K131-F172 HydrophobicContact CG-CD1 3.7Å; K131-F172 HydrophobicContact CG-CE1 3.66Å; K131-F172 HydrophobicContact CG-CG 4.27Å; K131-F172 HydrophobicContact CG-CZ 4.2Å; K131-N211 HydrophobicContact CB-CB 4.31Å; K131-N211 PolarHBondContact N-O 3.26Å; K131-N211 PolarHBondContact O-N 3.2Å |
| 132 | V | 98 | Very high | 91 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.6 | 174.3 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | E170 R171 V173 V182 F208 L209 I210 | V132-E170 WeakPolarHBondContact O-CA 3.43Å; V132-R171 HydrophobicContact CG2-CB 4.28Å; V132-R171 PolarHBondContact N-O 2.72Å; V132-R171 PolarHBondContact O-N 2.91Å; V132-V173 HydrophobicContact CG1-CG1 4.46Å; V132-V173 HydrophobicContact CG1-CG2 3.92Å; V132-V173 HydrophobicContact CG2-CG1 3.66Å; V132-V173 HydrophobicContact CG2-CG2 4.5Å; V132-V182 HydrophobicContact CG2-CB 4.31Å; V132-V182 HydrophobicContact CG2-CG1 3.8Å; V132-V182 HydrophobicContact CG2-CG2 4.09Å; V132-F208 HydrophobicContact CB-CE1 4.41Å; V132-F208 HydrophobicContact CB-CE2 4.46Å; V132-F208 HydrophobicContact CB-CZ 3.88Å; V132-F208 HydrophobicContact CG1-CE1 4.1Å; V132-F208 HydrophobicContact CG1-CZ 3.89Å; V132-F208 HydrophobicContact CG2-CZ 4.5Å; V132-L209 CarbonylContact C-O 3.57Å; V132-L209 VanDerWaalsContact CA-O 3.25Å; V132-L209 WeakPolarHBondContact CA-O 3.41Å; V132-I210 HydrophobicContact CG1-CG1 4.26Å; V132-I210 HydrophobicContact CG1-CG2 4.49Å |
| 133 | S | 97.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.4 | 170.6 | -65.4 | 0 | 0 | 0 | 0 | 108.8 | T169 L209 | S133-T169 VanDerWaalsContact CB-O 3.32Å; S133-T169 WeakPolarHBondContact CB-O 3.42Å; S133-T169 PolarHBondContact OG-O 2.88Å; S133-L209 PolarHBondContact N-O 3.38Å; S133-L209 PolarHBondContact O-N 3.35Å |
| 134 | Y | 97.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 121.3 | 178.2 | -165.7 | -162.9 | 0 | 0 | 0 | 109.9 | E96 L145 I207 F208 | E96-Y134 PolarHBondContact OE1-OH 3.38Å; Y134-L145 HydrophobicContact CD1-CB 4.15Å; Y134-L145 HydrophobicContact CD1-CD1 3.98Å; Y134-L145 HydrophobicContact CD2-CD1 3.9Å; Y134-L145 HydrophobicContact CE1-CD1 3.85Å; Y134-L145 HydrophobicContact CE2-CD1 3.82Å; Y134-L145 HydrophobicContact CG-CB 4.21Å; Y134-L145 HydrophobicContact CG-CD1 3.97Å; Y134-L145 WeakPolarHBondContact O-CB 3.27Å; Y134-L145 PolarHBondContact O-N 2.87Å; Y134-I207 WeakPolarHBondContact CD2-O 3.48Å; Y134-F208 HydrophobicContact CD1-CD2 4.1Å; Y134-F208 HydrophobicContact CD1-CE2 4.5Å; Y134-F208 HydrophobicContact CD2-CB 4Å; Y134-F208 AromaticContact CD2-CD2 3.71Å; Y134-F208 HydrophobicContact CD2-CD2 3.71Å; Y134-F208 HydrophobicContact CD2-CG 4.38Å; Y134-F208 HydrophobicContact CE2-CB 4.22Å; Y134-F208 HydrophobicContact CE2-CD2 4.29Å; Y134-F208 AromaticContact CG-CD2 3.62Å; Y134-F208 HydrophobicContact CG-CD2 3.62Å; Y134-F208 HydrophobicContact CG-CE2 4.27Å |
| 135 | F | 95.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.4 | -178.4 | 56.5 | -89.6 | 0 | 0 | 0 | 110.4 | I142 R143 V165 C168 I207 I286 | F135-I142 HydrophobicContact CB-CG2 4.19Å; F135-I142 HydrophobicContact CD2-CG2 3.75Å; F135-I142 HydrophobicContact CE2-CG2 4.47Å; F135-I142 HydrophobicContact CG-CG2 4.21Å; F135-R143 CarbonylContact C-O 3.57Å; F135-R143 VanDerWaalsContact CA-O 3.24Å; F135-R143 WeakPolarHBondContact CA-O 3.36Å; F135-R143 WeakPolarHBondContact CB-O 3.31Å; F135-V165 HydrophobicContact CE1-CG2 4.36Å; F135-V165 HydrophobicContact CE2-CG2 4.09Å; F135-V165 HydrophobicContact CZ-CG2 3.9Å; F135-C168 VanDerWaalsContact CD1-SG 3.57Å; F135-I207 HydrophobicContact CD2-CB 4.15Å; F135-I207 HydrophobicContact CD2-CD1 4.46Å; F135-I207 HydrophobicContact CE1-CB 4.39Å; F135-I207 HydrophobicContact CE1-CG2 4.08Å; F135-I207 HydrophobicContact CE2-CB 3.69Å; F135-I207 HydrophobicContact CE2-CD1 3.66Å; F135-I207 HydrophobicContact CE2-CG1 4.21Å; F135-I207 HydrophobicContact CE2-CG2 3.94Å; F135-I207 HydrophobicContact CZ-CB 3.82Å; F135-I207 HydrophobicContact CZ-CD1 4.25Å; F135-I207 HydrophobicContact CZ-CG2 3.54Å; F135-I207 PolarHBondContact N-O 2.97Å; F135-I207 VanDerWaalsContact N-O 3.15Å; F135-I207 PolarHBondContact O-N 3.39Å; F135-I286 HydrophobicContact CE2-CD1 4.01Å; F135-I286 HydrophobicContact CZ-CD1 4.5Å; F135-I286 HydrophobicContact CZ-CG2 4.49Å |
| 136 | E | 93.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.5 | 173.6 | 66.9 | 177.9 | -176.5 | 0 | 0 | 111.8 | I142 R143 L145 R190 H200 H205 | E136-I142 CarbonylContact O-C 3.52Å; E136-I142 WeakPolarHBondContact O-CA 3.09Å; E136-R143 HydrophobicContact CG-CB 4.06Å; E136-R143 PolarHBondContact N-O 3.06Å; E136-R143 PolarHBondContact O-N 2.89Å; E136-L145 HydrophobicContact CB-CD1 4.21Å; E136-L145 HydrophobicContact CB-CD2 4.38Å; E136-L145 HydrophobicContact CB-CG 4.37Å; E136-L145 HydrophobicContact CG-CD2 3.86Å; E136-L145 HydrophobicContact CG-CG 4.27Å; E136-R190 WeakPolarHBondContact OE2-CG 3.11Å; E136-R190 IonicContact OE2-NE 3.37Å; E136-R190 PolarHBondContact OE2-NE 3.35Å; E136-R190 VanDerWaalsContact OE2-NE 3.14Å; E136-H200 IonicContact OE1-CE1 2.77Å; E136-H200 IonicContact OE2-CE1 3.63Å; E136-H200 PolarHBondContact OE2-CE1 3.31Å; E136-H200 IonicContact OE2-ND1 2.76Å; E136-H205 CarbonylContact C-O 3.56Å; E136-H205 WeakPolarHBondContact CA-O 3.44Å; E136-H205 WeakPolarHBondContact CB-O 3.3Å |
| 137 | I | 92 | Very high | 93.7 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.5 | 170.8 | -51.3 | -177.7 | 0 | 0 | 0 | 107.4 | K141 I142 S204 H205 I207 M283 I286 | I137-K141 WeakPolarHBondContact CA-O 3.42Å; I137-I142 HydrophobicContact CG1-CG1 4.2Å; I137-S204 WeakPolarHBondContact O-CA 3.46Å; I137-H205 HydrophobicContact CB-CB 4.32Å; I137-H205 PolarHBondContact N-O 3.49Å; I137-H205 PolarHBondContact O-N 3.11Å; I137-I207 HydrophobicContact CD1-CD1 3.73Å; I137-I207 HydrophobicContact CG1-CD1 4.25Å; I137-M283 HydrophobicContact CD1-CB 3.76Å; I137-M283 HydrophobicContact CD1-CG 4.19Å; I137-I286 HydrophobicContact CD1-CD1 4Å |
| 138 | Y | 87.4 | Confident | 93.6 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 18% | 0.184 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.5 | 176.8 | 178 | -118.7 | 0 | 0 | 0 | 108.9 | D140 K141 H200 R203 E250 I254 | Y138-D140 PolarHBondContact O-N 3.49Å; Y138-K141 PolarHBondContact N-O 3.12Å; Y138-K141 WeakPolarHBondContact O-CA 3.25Å; Y138-K141 WeakPolarHBondContact O-CB 3.3Å; Y138-K141 PolarHBondContact O-N 3.07Å; Y138-H200 AromaticContact CD1-NE2 3.49Å; Y138-H200 WeakPolarHBondContact CD1-NE2 3.47Å; Y138-H200 AromaticContact CD2-NE2 3.42Å; Y138-H200 WeakPolarHBondContact CD2-NE2 3.48Å; Y138-H200 AromaticContact CE1-NE2 3.72Å; Y138-H200 AromaticContact CE2-CD2 3.84Å; Y138-H200 AromaticContact CE2-NE2 3.67Å; Y138-H200 AromaticContact CG-NE2 3.32Å; Y138-H200 VanDerWaalsContact CG-NE2 3.32Å; Y138-H200 AromaticContact CZ-CD2 3.91Å; Y138-H200 AromaticContact CZ-NE2 3.79Å; Y138-R203 HydrophobicContact CE2-CB 4.43Å; Y138-E250 HydrophobicContact CE2-CG 3.92Å; Y138-E250 VanDerWaalsContact OH-CG 3.29Å; Y138-E250 WeakPolarHBondContact OH-CG 3.49Å; Y138-E250 PolarHBondContact OH-OE1 2.84Å; Y138-I254 HydrophobicContact CE2-CD1 4.41Å |
| 139 | L | 83.9 | Confident | 93.5 | Very high | 60 Ų | 60 | 33.1 Ų | 33.1 | 31% | 0.314 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.3 | -174.3 | -58.7 | 176 | 0 | 0 | 0 | 113.7 | K141 E250 N253 | L139-K141 PolarHBondContact O-N 3.09Å; L139-E250 HydrophobicContact CD2-CB 4.27Å; L139-E250 HydrophobicContact CD2-CG 3.93Å; L139-N253 HydrophobicContact CD2-CB 3.62Å |
| 140 | D | 86.9 | Confident | 93.4 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 17.6 | -175.2 | -157.6 | 39.3 | 0 | 0 | 0 | 114 | Y138 K282 | Y138-D140 PolarHBondContact O-N 3.49Å; D140-K282 WeakPolarHBondContact O-CD 3.4Å; D140-K282 WeakPolarHBondContact O-CE 3.4Å; D140-K282 PolarHBondContact O-NZ 2.97Å; D140-K282 PolarHBondContact OD1-N 3.06Å |
| 141 | K | 90.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 36.3 Ų | 36.3 | 52% | 0.522 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.6 | 170.5 | -60.8 | -178 | -179.6 | 177.3 | 0 | 108.7 | I137 Y138 L139 N152 | I137-K141 WeakPolarHBondContact CA-O 3.42Å; Y138-K141 PolarHBondContact N-O 3.12Å; Y138-K141 WeakPolarHBondContact O-CA 3.25Å; Y138-K141 WeakPolarHBondContact O-CB 3.3Å; Y138-K141 PolarHBondContact O-N 3.07Å; L139-K141 PolarHBondContact O-N 3.09Å; K141-N152 HydrophobicContact CB-CB 4.28Å; K141-N152 HydrophobicContact CD-CB 4.37Å; K141-N152 HydrophobicContact CG-CB 4.36Å |
| 142 | I | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124.9 | 176.5 | -58.7 | 167.2 | 0 | 0 | 0 | 107.7 | F135 E136 I137 N152 L153 V155 V165 K282 I286 | F135-I142 HydrophobicContact CB-CG2 4.19Å; F135-I142 HydrophobicContact CD2-CG2 3.75Å; F135-I142 HydrophobicContact CE2-CG2 4.47Å; F135-I142 HydrophobicContact CG-CG2 4.21Å; E136-I142 CarbonylContact O-C 3.52Å; E136-I142 WeakPolarHBondContact O-CA 3.09Å; I137-I142 HydrophobicContact CG1-CG1 4.2Å; I142-N152 CarbonylContact O-C 3.41Å; I142-N152 WeakPolarHBondContact O-CA 3.06Å; I142-N152 PolarHBondContact O-N 3.43Å; I142-L153 HydrophobicContact CB-CB 4Å; I142-L153 HydrophobicContact CG2-CB 4.03Å; I142-L153 HydrophobicContact CG2-CD1 4.42Å; I142-L153 PolarHBondContact O-N 3.4Å; I142-V155 HydrophobicContact CD1-CG2 3.5Å; I142-V155 VanDerWaalsContact CD1-CG2 3.5Å; I142-V165 HydrophobicContact CD1-CG1 4.13Å; I142-V165 HydrophobicContact CD1-CG2 4.14Å; I142-V165 HydrophobicContact CG2-CG1 3.92Å; I142-K282 HydrophobicContact CD1-CB 4.23Å; I142-K282 HydrophobicContact CD1-CD 3.77Å; I142-K282 HydrophobicContact CG1-CB 4.43Å; I142-K282 HydrophobicContact CG1-CD 3.85Å; I142-I286 HydrophobicContact CD1-CD1 3.77Å; I142-I286 HydrophobicContact CG1-CD1 4.5Å |
| 143 | R | 94.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 39 Ų | 39 | 23% | 0.226 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.7 | 174.6 | 180 | 178.5 | -176.1 | 179.6 | -1.3 | 109.3 | F135 E136 T151 | F135-R143 CarbonylContact C-O 3.57Å; F135-R143 VanDerWaalsContact CA-O 3.24Å; F135-R143 WeakPolarHBondContact CA-O 3.36Å; F135-R143 WeakPolarHBondContact CB-O 3.31Å; E136-R143 HydrophobicContact CG-CB 4.06Å; E136-R143 PolarHBondContact N-O 3.06Å; E136-R143 PolarHBondContact O-N 2.89Å; R143-T151 HydrophobicContact CG-CG2 4.36Å |
| 144 | D | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.9 | 173 | -162.7 | -27 | 0 | 0 | 0 | 109.7 | L146 D147 K150 L153 T169 | D144-L146 WeakPolarHBondContact OD1-CB 3.41Å; D144-L146 PolarHBondContact OD1-N 3.08Å; D144-D147 PolarHBondContact OD1-N 3.36Å; D144-K150 HydrophobicContact CB-CB 3.79Å; D144-K150 HydrophobicContact CB-CD 4.47Å; D144-K150 PolarHBondContact N-O 3.37Å; D144-L153 HydrophobicContact CB-CD1 4.18Å; D144-T169 WeakPolarHBondContact OD2-CB 3.49Å; D144-T169 PolarHBondContact OD2-N 3.22Å; D144-T169 PolarHBondContact OD2-OG1 3.31Å |
| 145 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -87.4 | -11 | 177.8 | -66.4 | 178.6 | 0 | 0 | 0 | 111.9 | Y134 E136 G186 N189 R190 | Y134-L145 HydrophobicContact CD1-CB 4.15Å; Y134-L145 HydrophobicContact CD1-CD1 3.98Å; Y134-L145 HydrophobicContact CD2-CD1 3.9Å; Y134-L145 HydrophobicContact CE1-CD1 3.85Å; Y134-L145 HydrophobicContact CE2-CD1 3.82Å; Y134-L145 HydrophobicContact CG-CB 4.21Å; Y134-L145 HydrophobicContact CG-CD1 3.97Å; Y134-L145 WeakPolarHBondContact O-CB 3.27Å; Y134-L145 PolarHBondContact O-N 2.87Å; E136-L145 HydrophobicContact CB-CD1 4.21Å; E136-L145 HydrophobicContact CB-CD2 4.38Å; E136-L145 HydrophobicContact CB-CG 4.37Å; E136-L145 HydrophobicContact CG-CD2 3.86Å; E136-L145 HydrophobicContact CG-CG 4.27Å; L145-G186 WeakPolarHBondContact O-CA 3.25Å; L145-N189 WeakPolarHBondContact O-CB 3.23Å; L145-N189 PolarHBondContact O-ND2 2.8Å; L145-R190 HydrophobicContact CD2-CB 3.96Å; L145-R190 HydrophobicContact CD2-CG 4.38Å |
| 146 | L | 96.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -99.9 | -6.7 | 177.2 | -54.5 | -174.4 | 0 | 0 | 0 | 112.8 | D144 T169 R171 V182 | D144-L146 WeakPolarHBondContact OD1-CB 3.41Å; D144-L146 PolarHBondContact OD1-N 3.08Å; L146-T169 HydrophobicContact CB-CG2 4.17Å; L146-R171 HydrophobicContact CD1-CG 4.19Å; L146-R171 PolarHBondContact O-NH2 3.22Å; L146-V182 HydrophobicContact CD1-CG1 3.78Å; L146-V182 HydrophobicContact CD2-CG1 3.54Å; L146-V182 HydrophobicContact CG-CG1 4.3Å |
| 147 | D | 94.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | trans | -152.9 | 96.5 | 172.6 | -178.9 | -10.1 | 0 | 0 | 0 | 109.2 | D144 S149 K150 | D144-D147 PolarHBondContact OD1-N 3.36Å; D147-S149 PolarHBondContact O-N 2.84Å; D147-S149 WeakPolarHBondContact OD1-CB 3.29Å; D147-S149 PolarHBondContact OD1-N 3.42Å; D147-S149 VanDerWaalsContact OD1-N 3.09Å; D147-S149 PolarHBondContact OD1-OG 3.26Å; D147-S149 PolarHBondContact OD2-OG 3.16Å; D147-K150 HydrophobicContact CB-CD 4.01Å; D147-K150 HydrophobicContact CB-CG 4.29Å; D147-K150 WeakPolarHBondContact O-CB 3.4Å; D147-K150 PolarHBondContact O-N 3.49Å; D147-K150 WeakPolarHBondContact OD2-CD 3.39Å; D147-K150 WeakPolarHBondContact OD2-CE 3.38Å; D147-K150 IonicContact OD2-NZ 2.91Å | ||
| 148 | V | 89.1 | Confident | 91.8 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 38% | 0.382 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -15.5 | -174.8 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | K150 N189 | V148-K150 VanDerWaalsContact C-N 3.26Å; V148-N189 HydrophobicContact CG1-CB 3.63Å |
| 149 | S | 90.8 | Very high | 91.5 | Very high | 90 Ų | 90 | 58 Ų | 58 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.8 | 175 | 75.8 | 0 | 0 | 0 | 0 | 111.9 | D147 T151 | D147-S149 PolarHBondContact O-N 2.84Å; D147-S149 WeakPolarHBondContact OD1-CB 3.29Å; D147-S149 PolarHBondContact OD1-N 3.42Å; D147-S149 VanDerWaalsContact OD1-N 3.09Å; D147-S149 PolarHBondContact OD1-OG 3.26Å; D147-S149 PolarHBondContact OD2-OG 3.16Å; S149-T151 PolarHBondContact O-N 2.9Å |
| 150 | K | 93.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | trans | -87.5 | 91.7 | -177.3 | -68.1 | 178.8 | -175.1 | 166.2 | 0 | 111.1 | D144 D147 V148 L153 G167 T169 | D144-K150 HydrophobicContact CB-CB 3.79Å; D144-K150 HydrophobicContact CB-CD 4.47Å; D144-K150 PolarHBondContact N-O 3.37Å; D147-K150 HydrophobicContact CB-CD 4.01Å; D147-K150 HydrophobicContact CB-CG 4.29Å; D147-K150 WeakPolarHBondContact O-CB 3.4Å; D147-K150 PolarHBondContact O-N 3.49Å; D147-K150 WeakPolarHBondContact OD2-CD 3.39Å; D147-K150 WeakPolarHBondContact OD2-CE 3.38Å; D147-K150 IonicContact OD2-NZ 2.91Å; V148-K150 VanDerWaalsContact C-N 3.26Å; K150-L153 HydrophobicContact CB-CD2 4.18Å; K150-G167 WeakPolarHBondContact CD-O 3.49Å; K150-G167 PolarHBondContact NZ-O 3.17Å; K150-T169 PolarHBondContact NZ-OG1 2.94Å | ||
| 151 | T | 92 | Very high | 90.8 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | trans | -109.7 | 153.2 | 178.2 | 64.5 | 0 | 0 | 0 | 0 | 111.7 | R143 S149 L153 | R143-T151 HydrophobicContact CG-CG2 4.36Å; S149-T151 PolarHBondContact O-N 2.9Å; T151-L153 PolarHBondContact O-N 3.03Å | ||
| 152 | N | 92.9 | Very high | 90.4 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 51.5 | 48.2 | 178.9 | -167.6 | 28.3 | 0 | 0 | 0 | 114.9 | K141 I142 K282 | K141-N152 HydrophobicContact CB-CB 4.28Å; K141-N152 HydrophobicContact CD-CB 4.37Å; K141-N152 HydrophobicContact CG-CB 4.36Å; I142-N152 CarbonylContact O-C 3.41Å; I142-N152 WeakPolarHBondContact O-CA 3.06Å; I142-N152 PolarHBondContact O-N 3.43Å; N152-K282 PolarHBondContact OD1-NZ 3.29Å |
| 153 | L | 95.9 | Very high | 90.1 | Very high | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -60.8 | 153.2 | 176.5 | -60 | 177.8 | 0 | 0 | 0 | 111.9 | I142 D144 K150 T151 V165 C168 K282 | I142-L153 HydrophobicContact CB-CB 4Å; I142-L153 HydrophobicContact CG2-CB 4.03Å; I142-L153 HydrophobicContact CG2-CD1 4.42Å; I142-L153 PolarHBondContact O-N 3.4Å; D144-L153 HydrophobicContact CB-CD1 4.18Å; K150-L153 HydrophobicContact CB-CD2 4.18Å; T151-L153 PolarHBondContact O-N 3.03Å; L153-V165 HydrophobicContact CB-CG1 3.59Å; L153-V165 HydrophobicContact CD1-CG1 3.81Å; L153-V165 HydrophobicContact CG-CG1 4.37Å; L153-C168 HydrophobicContact CD1-CB 3.97Å; L153-K282 PolarHBondContact O-NZ 3.22Å |
| 154 | A | 94.7 | Very high | 90 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 144.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | K166 | A154-K166 PolarHBondContact O-N 2.93Å |
| 155 | V | 94.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.1 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | I142 P163 Y164 K282 R285 I286 | I142-V155 HydrophobicContact CD1-CG2 3.5Å; I142-V155 VanDerWaalsContact CD1-CG2 3.5Å; V155-P163 HydrophobicContact CG1-CB 4.15Å; V155-Y164 WeakPolarHBondContact CA-O 3.42Å; V155-K282 HydrophobicContact CG2-CB 4.04Å; V155-K282 HydrophobicContact CG2-CD 4.4Å; V155-K282 HydrophobicContact CG2-CG 4.27Å; V155-R285 HydrophobicContact CG1-CB 4.09Å; V155-R285 PolarHBondContact O-NH2 2.86Å; V155-I286 HydrophobicContact CG1-CG1 4.07Å; V155-I286 HydrophobicContact CG2-CD1 3.93Å; V155-I286 HydrophobicContact CG2-CG1 3.74Å |
| 156 | H | 92.6 | Very high | 89.9 | Confident | 73 Ų | 73 | 73 Ų | 73 | 34% | 0.338 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 164.6 | 176.3 | -80 | -114.1 | 0 | 0 | 0 | 110.3 | P163 Y164 K166 | H156-P163 CarbonylContact O-C 3.6Å; H156-P163 VanDerWaalsContact O-CA 3.26Å; H156-P163 WeakPolarHBondContact O-CA 3.41Å; H156-Y164 HydrophobicContact CB-CD1 4.3Å; H156-Y164 HydrophobicContact CB-CE1 3.7Å; H156-Y164 HydrophobicContact CB-CE2 4.11Å; H156-Y164 PolarHBondContact N-O 3.4Å; H156-Y164 PolarHBondContact O-N 2.86Å; H156-K166 HydrophobicContact CB-CB 4.43Å |
| 157 | E | 88.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140 | 172.3 | -72.7 | 168.4 | -154.8 | 0 | 0 | 108.5 | V162 | E157-V162 WeakPolarHBondContact CA-O 3.18Å |
| 158 | D | 83.3 | Confident | 89.8 | Confident | 60 Ų | 60 | 73.5 Ų | 73.5 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | trans | -79.7 | -175.8 | 174.2 | 77.4 | 5.3 | 0 | 0 | 0 | 111.9 | N160 R161 V162 Y164 | D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 VanDerWaalsContact O-N 3.15Å; D158-N160 VanDerWaalsContact OD1-C 3.29Å; D158-N160 VanDerWaalsContact OD1-CA 3.29Å; D158-N160 WeakPolarHBondContact OD1-CA 3.44Å; D158-N160 WeakPolarHBondContact OD1-CB 3.46Å; D158-N160 PolarHBondContact OD1-N 3.35Å; D158-R161 PolarHBondContact O-N 2.99Å; D158-R161 PolarHBondContact OD1-N 3.24Å; D158-R161 VanDerWaalsContact OD1-N 3.11Å; D158-V162 PolarHBondContact N-O 3.09Å; D158-V162 WeakPolarHBondContact OD1-CB 3.28Å; D158-V162 PolarHBondContact OD1-N 2.8Å; D158-Y164 HydrophobicContact CB-CD1 4.21Å; D158-Y164 HydrophobicContact CB-CE1 4.14Å | ||
| 159 | K | 81.6 | Confident | 90.2 | Very high | 210 Ų | 210 | 71.6 Ų | 71.6 | 91% | 0.913 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.3 | 180 | -63.8 | -179.1 | -178 | 177 | 0 | 113.2 | ||
| 160 | N | 76.5 | Confident | 90.5 | Very high | 133 Ų | 133 | 72 Ų | 72 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 12.1 | 179.8 | -61.4 | -30.1 | 0 | 0 | 0 | 112 | D158 V162 | D158-N160 PolarHBondContact O-N 2.83Å; D158-N160 VanDerWaalsContact O-N 3.15Å; D158-N160 VanDerWaalsContact OD1-C 3.29Å; D158-N160 VanDerWaalsContact OD1-CA 3.29Å; D158-N160 WeakPolarHBondContact OD1-CA 3.44Å; D158-N160 WeakPolarHBondContact OD1-CB 3.46Å; D158-N160 PolarHBondContact OD1-N 3.35Å; N160-V162 HydrophobicContact CB-CG2 4.22Å; N160-V162 PolarHBondContact O-N 3.11Å |
| 161 | R | 80.1 | Confident | 90.7 | Very high | 194 Ų | 194 | 72.2 Ų | 72.2 | 73% | 0.732 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 62.5 | 23.1 | -175.5 | -54.8 | -175.4 | 176.7 | -168.2 | -1.5 | 114.1 | D158 | D158-R161 PolarHBondContact O-N 2.99Å; D158-R161 PolarHBondContact OD1-N 3.24Å; D158-R161 VanDerWaalsContact OD1-N 3.11Å |
| 162 | V | 82.5 | Confident | 90.9 | Very high | 39 Ų | 39 | 74.2 Ų | 74.2 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | trans | -83.3 | 124.9 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | E157 D158 N160 | E157-V162 WeakPolarHBondContact CA-O 3.18Å; D158-V162 PolarHBondContact N-O 3.09Å; D158-V162 WeakPolarHBondContact OD1-CB 3.28Å; D158-V162 PolarHBondContact OD1-N 2.8Å; N160-V162 HydrophobicContact CB-CG2 4.22Å; N160-V162 PolarHBondContact O-N 3.11Å | ||
| 163 | P | 87.9 | Confident | 91.1 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.1 | 179.8 | 29 | -35.4 | 0 | 0 | 0 | 111.7 | V155 H156 R285 Q288 | V155-P163 HydrophobicContact CG1-CB 4.15Å; H156-P163 CarbonylContact O-C 3.6Å; H156-P163 VanDerWaalsContact O-CA 3.26Å; H156-P163 WeakPolarHBondContact O-CA 3.41Å; P163-R285 WeakPolarHBondContact CB-O 3.41Å; P163-R285 WeakPolarHBondContact CG-O 3.45Å; P163-Q288 HydrophobicContact CG-CB 4.37Å |
| 164 | Y | 90.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156.4 | 172.6 | 71.3 | -83.9 | 0 | 0 | 0 | 111.4 | V155 H156 D158 K166 | V155-Y164 WeakPolarHBondContact CA-O 3.42Å; H156-Y164 HydrophobicContact CB-CD1 4.3Å; H156-Y164 HydrophobicContact CB-CE1 3.7Å; H156-Y164 HydrophobicContact CB-CE2 4.11Å; H156-Y164 PolarHBondContact N-O 3.4Å; H156-Y164 PolarHBondContact O-N 2.86Å; D158-Y164 HydrophobicContact CB-CD1 4.21Å; D158-Y164 HydrophobicContact CB-CE1 4.14Å; Y164-K166 HydrophobicContact CE2-CB 4.05Å; Y164-K166 HydrophobicContact CE2-CG 4.47Å; Y164-K166 PolarHBondContact O-N 3.37Å |
| 165 | V | 94.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 72.4 Ų | 72.4 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 109.6 | 177 | -175 | 0 | 0 | 0 | 0 | 109 | F135 I142 L153 G167 C168 I286 | F135-V165 HydrophobicContact CE1-CG2 4.36Å; F135-V165 HydrophobicContact CE2-CG2 4.09Å; F135-V165 HydrophobicContact CZ-CG2 3.9Å; I142-V165 HydrophobicContact CD1-CG1 4.13Å; I142-V165 HydrophobicContact CD1-CG2 4.14Å; I142-V165 HydrophobicContact CG2-CG1 3.92Å; L153-V165 HydrophobicContact CB-CG1 3.59Å; L153-V165 HydrophobicContact CD1-CG1 3.81Å; L153-V165 HydrophobicContact CG-CG1 4.37Å; V165-G167 PolarHBondContact O-N 3.31Å; V165-C168 HydrophobicContact CB-CB 3.85Å; V165-C168 HydrophobicContact CG1-CB 3.76Å; V165-C168 PolarHBondContact O-N 3.49Å; V165-I286 HydrophobicContact CG2-CD1 3.74Å; V165-I286 HydrophobicContact CG2-CG1 4.08Å |
| 166 | K | 94.2 | Very high | 91.1 | Very high | 117 Ų | 117 | 72.7 Ų | 72.7 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.3 | -178 | -176.1 | -179.8 | 177.1 | -175 | 0 | 110.2 | A154 H156 Y164 C168 | A154-K166 PolarHBondContact O-N 2.93Å; H156-K166 HydrophobicContact CB-CB 4.43Å; Y164-K166 HydrophobicContact CE2-CB 4.05Å; Y164-K166 HydrophobicContact CE2-CG 4.47Å; Y164-K166 PolarHBondContact O-N 3.37Å; K166-C168 VanDerWaalsContact C-N 3.29Å; K166-C168 PolarHBondContact O-N 3.5Å |
| 167 | G | 93 | Very high | 91.1 | Very high | 47 Ų | 47 | 75 Ų | 75 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -1.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K150 V165 | K150-G167 WeakPolarHBondContact CD-O 3.49Å; K150-G167 PolarHBondContact NZ-O 3.17Å; V165-G167 PolarHBondContact O-N 3.31Å |
| 168 | C | 96.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 75.1 Ų | 75.1 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -63 | 138.9 | 173 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | F135 L153 V165 K166 E170 | F135-C168 VanDerWaalsContact CD1-SG 3.57Å; L153-C168 HydrophobicContact CD1-CB 3.97Å; V165-C168 HydrophobicContact CB-CB 3.85Å; V165-C168 HydrophobicContact CG1-CB 3.76Å; V165-C168 PolarHBondContact O-N 3.49Å; K166-C168 VanDerWaalsContact C-N 3.29Å; K166-C168 PolarHBondContact O-N 3.5Å; C168-E170 PolarHBondContact O-N 2.76Å | ||
| 169 | T | 97.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 72.5 Ų | 72.5 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | trans | -69.7 | 127.3 | -177.8 | -55.2 | 0 | 0 | 0 | 0 | 110.1 | S133 D144 L146 K150 R171 | S133-T169 VanDerWaalsContact CB-O 3.32Å; S133-T169 WeakPolarHBondContact CB-O 3.42Å; S133-T169 PolarHBondContact OG-O 2.88Å; D144-T169 WeakPolarHBondContact OD2-CB 3.49Å; D144-T169 PolarHBondContact OD2-N 3.22Å; D144-T169 PolarHBondContact OD2-OG1 3.31Å; L146-T169 HydrophobicContact CB-CG2 4.17Å; K150-T169 PolarHBondContact NZ-OG1 2.94Å; T169-R171 HydrophobicContact CG2-CG 4.02Å | ||
| 170 | E | 96.6 | Very high | 92.7 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | trans | -110 | 119.8 | 169.5 | -64.6 | -173.4 | 159.8 | 0 | 0 | 107.8 | K131 V132 C168 | K131-E170 HydrophobicContact CD-CB 4.33Å; K131-E170 WeakPolarHBondContact CD-OE2 3.42Å; K131-E170 IonicContact NZ-OE2 2.75Å; K131-E170 PolarHBondContact NZ-OE2 2.73Å; V132-E170 WeakPolarHBondContact O-CA 3.43Å; C168-E170 PolarHBondContact O-N 2.76Å | ||
| 171 | R | 97.3 | Very high | 93.6 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 26% | 0.26 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.9 | 175.1 | -63.7 | -170.5 | -172.4 | 178.4 | 3.7 | 110.2 | K131 V132 L146 T169 E185 | K131-R171 CarbonylContact C-O 3.55Å; K131-R171 VanDerWaalsContact CA-O 3.25Å; K131-R171 WeakPolarHBondContact CA-O 2.88Å; V132-R171 HydrophobicContact CG2-CB 4.28Å; V132-R171 PolarHBondContact N-O 2.72Å; V132-R171 PolarHBondContact O-N 2.91Å; L146-R171 HydrophobicContact CD1-CG 4.19Å; L146-R171 PolarHBondContact O-NH2 3.22Å; T169-R171 HydrophobicContact CG2-CG 4.02Å; R171-E185 IonicContact CZ-OE1 2.92Å; R171-E185 IonicContact CZ-OE2 3.21Å; R171-E185 IonicContact NH1-OE1 2.7Å; R171-E185 IonicContact NH1-OE2 3.64Å; R171-E185 PolarHBondContact NH1-OE2 3.27Å; R171-E185 VanDerWaalsContact NH2-CD 3.3Å; R171-E185 IonicContact NH2-OE1 2.76Å; R171-E185 PolarHBondContact NH2-OE1 3.02Å; R171-E185 IonicContact NH2-OE2 3.58Å; R171-E185 PolarHBondContact NH2-OE2 3.09Å |
| 172 | F | 97.6 | Very high | 94.3 | Very high | 129 Ų | 129 | 52.9 Ų | 52.9 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140.1 | 169.8 | -71.6 | -83.8 | 0 | 0 | 0 | 109.5 | I130 K131 | I130-F172 WeakPolarHBondContact O-CA 3.29Å; K131-F172 HydrophobicContact CD-CE1 4.07Å; K131-F172 HydrophobicContact CD-CZ 4.21Å; K131-F172 HydrophobicContact CG-CD1 3.7Å; K131-F172 HydrophobicContact CG-CE1 3.66Å; K131-F172 HydrophobicContact CG-CG 4.27Å; K131-F172 HydrophobicContact CG-CZ 4.2Å |
| 173 | V | 97 | Very high | 94.9 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.7 | 176.2 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | F116 I130 V132 E178 V179 V182 | F116-V173 HydrophobicContact CZ-CG2 4.4Å; I130-V173 HydrophobicContact CB-CG2 3.87Å; I130-V173 HydrophobicContact CG2-CG2 3.58Å; I130-V173 PolarHBondContact O-N 3.13Å; I130-V173 VanDerWaalsContact O-N 3.15Å; V132-V173 HydrophobicContact CG1-CG1 4.46Å; V132-V173 HydrophobicContact CG1-CG2 3.92Å; V132-V173 HydrophobicContact CG2-CG1 3.66Å; V132-V173 HydrophobicContact CG2-CG2 4.5Å; V173-E178 VanDerWaalsContact CA-OE2 3.29Å; V173-E178 WeakPolarHBondContact CA-OE2 3.41Å; V173-E178 HydrophobicContact CB-CB 4.22Å; V173-E178 HydrophobicContact CG1-CB 4.1Å; V173-V179 HydrophobicContact CB-CG2 3.96Å; V173-V179 HydrophobicContact CG1-CG2 4.16Å; V173-V179 HydrophobicContact CG2-CG2 3.74Å; V173-V182 HydrophobicContact CG1-CG2 4.34Å |
| 174 | S | 95.1 | Very high | 95.2 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 56% | 0.559 | 28% | 0.278 | S | S | * | . | trans | -122.6 | -5.1 | -174.8 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | F116 E178 | F116-S174 VanDerWaalsContact CE1-O 3.31Å; F116-S174 WeakPolarHBondContact CE1-O 3.33Å; S174-E178 PolarHBondContact N-OE2 2.66Å; S174-E178 PolarHBondContact OG-OE1 2.8Å; S174-E178 PolarHBondContact OG-OE2 2.92Å; S174-E178 VanDerWaalsContact OG-OE2 3.13Å | ||
| 175 | S | 94.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -148.7 | 159 | 178.7 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | F116 E177 E178 V179 | F116-S175 WeakPolarHBondContact CE2-O 3.49Å; F116-S175 VanDerWaalsContact CZ-C 3.43Å; F116-S175 VanDerWaalsContact CZ-N 3.33Å; F116-S175 WeakPolarHBondContact CZ-O 3.18Å; S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact O-N 2.81Å; S175-E178 PolarHBondContact O-N 3.13Å; S175-E178 WeakPolarHBondContact OG-CG 3.46Å; S175-E178 PolarHBondContact OG-N 2.71Å; S175-V179 PolarHBondContact O-N 3.17Å |
| 176 | P | 93.9 | Very high | 95.2 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -37.1 | 171.6 | -23.2 | 31.8 | 0 | 0 | 0 | 112.7 | F116 V179 M180 | F116-P176 HydrophobicContact CB-CG 3.74Å; F116-P176 HydrophobicContact CD2-CB 4.2Å; F116-P176 HydrophobicContact CD2-CG 3.61Å; F116-P176 HydrophobicContact CE2-CG 4.46Å; F116-P176 HydrophobicContact CG-CG 3.83Å; P176-V179 WeakPolarHBondContact O-CB 3.3Å; P176-V179 PolarHBondContact O-N 3.39Å; P176-M180 WeakPolarHBondContact O-CG 3.42Å; P176-M180 PolarHBondContact O-N 3.33Å; P176-M180 VanDerWaalsContact O-N 3.09Å |
| 177 | E | 94 | Very high | 95 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | -179.3 | -65.1 | 72.5 | -158.3 | 0 | 0 | 111.1 | S175 V179 M180 D181 | S175-E177 WeakPolarHBondContact CB-OE2 3.29Å; S175-E177 PolarHBondContact O-N 2.81Å; E177-V179 PolarHBondContact O-N 3.43Å; E177-M180 WeakPolarHBondContact O-CB 3.21Å; E177-M180 PolarHBondContact O-N 3.33Å; E177-D181 PolarHBondContact O-N 3.49Å |
| 178 | E | 96.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 176.3 | -75.1 | 176.6 | -170 | 0 | 0 | 112.3 | V173 S174 S175 D181 V182 | V173-E178 VanDerWaalsContact CA-OE2 3.29Å; V173-E178 WeakPolarHBondContact CA-OE2 3.41Å; V173-E178 HydrophobicContact CB-CB 4.22Å; V173-E178 HydrophobicContact CG1-CB 4.1Å; S174-E178 PolarHBondContact N-OE2 2.66Å; S174-E178 PolarHBondContact OG-OE1 2.8Å; S174-E178 PolarHBondContact OG-OE2 2.92Å; S174-E178 VanDerWaalsContact OG-OE2 3.13Å; S175-E178 PolarHBondContact O-N 3.13Å; S175-E178 WeakPolarHBondContact OG-CG 3.46Å; S175-E178 PolarHBondContact OG-N 2.71Å; E178-D181 PolarHBondContact O-N 3.3Å; E178-V182 VanDerWaalsContact O-CG2 3.26Å; E178-V182 WeakPolarHBondContact O-CG2 3.15Å; E178-V182 PolarHBondContact O-N 3.3Å; E178-V182 VanDerWaalsContact O-N 3.11Å |
| 179 | V | 95.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 111 | A112 F116 V173 S175 P176 E177 V182 I183 F208 | A112-V179 HydrophobicContact CB-CB 4.09Å; A112-V179 HydrophobicContact CB-CG1 3.75Å; F116-V179 HydrophobicContact CE2-CG2 3.9Å; V173-V179 HydrophobicContact CB-CG2 3.96Å; V173-V179 HydrophobicContact CG1-CG2 4.16Å; V173-V179 HydrophobicContact CG2-CG2 3.74Å; S175-V179 PolarHBondContact O-N 3.17Å; P176-V179 WeakPolarHBondContact O-CB 3.3Å; P176-V179 PolarHBondContact O-N 3.39Å; E177-V179 PolarHBondContact O-N 3.43Å; V179-V182 PolarHBondContact O-N 3.14Å; V179-I183 HydrophobicContact CG1-CD1 4.09Å; V179-I183 VanDerWaalsContact O-CG1 3.32Å; V179-I183 WeakPolarHBondContact O-CG1 3.29Å; V179-I183 PolarHBondContact O-N 2.96Å; V179-I183 VanDerWaalsContact O-N 3.12Å; V179-F208 HydrophobicContact CG1-CE1 4.17Å; V179-F208 HydrophobicContact CG1-CZ 3.96Å |
| 180 | M | 93.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.5 | -58.6 | -52.8 | -179.4 | 0 | 0 | 111.6 | P109 A112 P176 E177 V182 I183 D184 | P109-M180 VanDerWaalsContact CA-CE 3.42Å; P109-M180 HydrophobicContact CB-CE 3.27Å; P109-M180 HydrophobicContact CB-SD 3.74Å; A112-M180 HydrophobicContact CB-CE 4.34Å; P176-M180 WeakPolarHBondContact O-CG 3.42Å; P176-M180 PolarHBondContact O-N 3.33Å; P176-M180 VanDerWaalsContact O-N 3.09Å; E177-M180 WeakPolarHBondContact O-CB 3.21Å; E177-M180 PolarHBondContact O-N 3.33Å; M180-V182 VanDerWaalsContact C-N 3.3Å; M180-V182 PolarHBondContact O-N 3.48Å; M180-I183 WeakPolarHBondContact O-CB 3.4Å; M180-I183 PolarHBondContact O-N 3.04Å; M180-I183 HydrophobicContact SD-CD1 4.32Å; M180-D184 PolarHBondContact O-N 3.3Å |
| 181 | D | 95.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 50.2 Ų | 50.2 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 177.4 | -70.3 | -21 | 0 | 0 | 0 | 111.5 | E177 E178 I183 D184 E185 | E177-D181 PolarHBondContact O-N 3.49Å; E178-D181 PolarHBondContact O-N 3.3Å; D181-I183 VanDerWaalsContact C-N 3.33Å; D181-I183 PolarHBondContact O-N 2.94Å; D181-D184 PolarHBondContact O-N 3.4Å; D181-E185 WeakPolarHBondContact O-CB 2.85Å; D181-E185 PolarHBondContact O-N 3.08Å |
| 182 | V | 96.7 | Very high | 90.5 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 174.8 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | V132 L146 V173 E178 V179 M180 G186 F208 | V132-V182 HydrophobicContact CG2-CB 4.31Å; V132-V182 HydrophobicContact CG2-CG1 3.8Å; V132-V182 HydrophobicContact CG2-CG2 4.09Å; L146-V182 HydrophobicContact CD1-CG1 3.78Å; L146-V182 HydrophobicContact CD2-CG1 3.54Å; L146-V182 HydrophobicContact CG-CG1 4.3Å; V173-V182 HydrophobicContact CG1-CG2 4.34Å; E178-V182 VanDerWaalsContact O-CG2 3.26Å; E178-V182 WeakPolarHBondContact O-CG2 3.15Å; E178-V182 PolarHBondContact O-N 3.3Å; E178-V182 VanDerWaalsContact O-N 3.11Å; V179-V182 PolarHBondContact O-N 3.14Å; M180-V182 VanDerWaalsContact C-N 3.3Å; M180-V182 PolarHBondContact O-N 3.48Å; V182-G186 PolarHBondContact O-N 2.97Å; V182-F208 HydrophobicContact CG1-CE2 4.06Å |
| 183 | I | 93.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 176.8 | -65.4 | 162.7 | 0 | 0 | 0 | 110.2 | L99 I108 V179 M180 D181 G186 K187 F208 | L99-I183 HydrophobicContact CD1-CG2 3.72Å; L99-I183 HydrophobicContact CD2-CG2 4.01Å; I108-I183 HydrophobicContact CG2-CD1 3.46Å; I108-I183 VanDerWaalsContact CG2-CD1 3.46Å; I108-I183 HydrophobicContact CG2-CG1 4.45Å; V179-I183 HydrophobicContact CG1-CD1 4.09Å; V179-I183 VanDerWaalsContact O-CG1 3.32Å; V179-I183 WeakPolarHBondContact O-CG1 3.29Å; V179-I183 PolarHBondContact O-N 2.96Å; V179-I183 VanDerWaalsContact O-N 3.12Å; M180-I183 WeakPolarHBondContact O-CB 3.4Å; M180-I183 PolarHBondContact O-N 3.04Å; M180-I183 HydrophobicContact SD-CD1 4.32Å; D181-I183 VanDerWaalsContact C-N 3.33Å; D181-I183 PolarHBondContact O-N 2.94Å; I183-G186 PolarHBondContact O-N 3.38Å; I183-K187 HydrophobicContact CG2-CD 3.96Å; I183-K187 HydrophobicContact CG2-CG 4.44Å; I183-K187 WeakPolarHBondContact O-CB 3.46Å; I183-K187 VanDerWaalsContact O-CG 3.28Å; I183-K187 WeakPolarHBondContact O-CG 3.14Å; I183-K187 PolarHBondContact O-N 2.95Å; I183-F208 HydrophobicContact CD1-CE2 4.49Å; I183-F208 HydrophobicContact CD1-CZ 4.31Å; I183-F208 HydrophobicContact CG1-CD2 4.19Å; I183-F208 HydrophobicContact CG1-CE2 3.65Å; I183-F208 HydrophobicContact CG1-CZ 3.9Å |
| 184 | D | 93.8 | Very high | 86.6 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 179.4 | -82.3 | -27.5 | 0 | 0 | 0 | 111.6 | L99 H100 M180 D181 K187 A188 | L99-D184 WeakPolarHBondContact CD1-OD1 3.45Å; H100-D184 IonicContact CD2-OD2 3.76Å; H100-D184 IonicContact CE1-OD2 2.81Å; H100-D184 PolarHBondContact CE1-OD2 3.2Å; H100-D184 IonicContact NE2-OD2 3.36Å; H100-D184 PolarHBondContact NE2-OD2 3.16Å; M180-D184 PolarHBondContact O-N 3.3Å; D181-D184 PolarHBondContact O-N 3.4Å; D184-K187 PolarHBondContact O-N 3.24Å; D184-A188 WeakPolarHBondContact O-CB 3.45Å; D184-A188 PolarHBondContact O-N 3Å |
| 185 | E | 95 | Very high | 84.3 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 173 | -175 | -174.5 | 150.8 | 0 | 0 | 111.4 | R171 D181 K187 A188 N189 | R171-E185 IonicContact CZ-OE1 2.92Å; R171-E185 IonicContact CZ-OE2 3.21Å; R171-E185 IonicContact NH1-OE1 2.7Å; R171-E185 IonicContact NH1-OE2 3.64Å; R171-E185 PolarHBondContact NH1-OE2 3.27Å; R171-E185 VanDerWaalsContact NH2-CD 3.3Å; R171-E185 IonicContact NH2-OE1 2.76Å; R171-E185 PolarHBondContact NH2-OE1 3.02Å; R171-E185 IonicContact NH2-OE2 3.58Å; R171-E185 PolarHBondContact NH2-OE2 3.09Å; D181-E185 WeakPolarHBondContact O-CB 2.85Å; D181-E185 PolarHBondContact O-N 3.08Å; E185-K187 PolarHBondContact O-N 3.03Å; E185-A188 PolarHBondContact O-N 2.97Å; E185-A188 VanDerWaalsContact O-N 3.12Å; E185-N189 WeakPolarHBondContact O-CB 3.19Å; E185-N189 PolarHBondContact O-N 3Å |
| 186 | G | 92.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L145 V182 I183 R190 | L145-G186 WeakPolarHBondContact O-CA 3.25Å; V182-G186 PolarHBondContact O-N 2.97Å; I183-G186 PolarHBondContact O-N 3.38Å; G186-R190 VanDerWaalsContact O-CB 3.28Å; G186-R190 WeakPolarHBondContact O-CB 3.17Å; G186-R190 PolarHBondContact O-N 3.44Å |
| 187 | K | 88.2 | Confident | 79.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.217 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -41 | 173.8 | -73.6 | 176 | 71.8 | 156.3 | 0 | 112.3 | E96 L99 I183 D184 E185 R190 H191 | E96-K187 WeakPolarHBondContact OE2-CD 3.44Å; E96-K187 WeakPolarHBondContact OE2-CE 3.2Å; E96-K187 IonicContact OE2-NZ 2.67Å; E96-K187 PolarHBondContact OE2-NZ 3.06Å; L99-K187 HydrophobicContact CD1-CD 3.89Å; I183-K187 HydrophobicContact CG2-CD 3.96Å; I183-K187 HydrophobicContact CG2-CG 4.44Å; I183-K187 WeakPolarHBondContact O-CB 3.46Å; I183-K187 VanDerWaalsContact O-CG 3.28Å; I183-K187 WeakPolarHBondContact O-CG 3.14Å; I183-K187 PolarHBondContact O-N 2.95Å; D184-K187 PolarHBondContact O-N 3.24Å; E185-K187 PolarHBondContact O-N 3.03Å; K187-R190 WeakPolarHBondContact O-CB 3.48Å; K187-R190 PolarHBondContact O-N 2.87Å; K187-H191 PolarHBondContact O-N 3Å; K187-H191 PolarHBondContact O-ND1 3.21Å |
| 188 | A | 88.5 | Confident | 76.7 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D184 E185 R190 H191 V192 | D184-A188 WeakPolarHBondContact O-CB 3.45Å; D184-A188 PolarHBondContact O-N 3Å; E185-A188 PolarHBondContact O-N 2.97Å; E185-A188 VanDerWaalsContact O-N 3.12Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.91Å; A188-H191 WeakPolarHBondContact O-CB 3.13Å; A188-H191 PolarHBondContact O-N 3.09Å; A188-V192 WeakPolarHBondContact O-CG2 3.35Å; A188-V192 PolarHBondContact O-N 3.25Å |
| 189 | N | 88.9 | Confident | 74.7 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 176.6 | -74.7 | -21.1 | 0 | 0 | 0 | 112.4 | L145 V148 E185 | L145-N189 WeakPolarHBondContact O-CB 3.23Å; L145-N189 PolarHBondContact O-ND2 2.8Å; V148-N189 HydrophobicContact CG1-CB 3.63Å; E185-N189 WeakPolarHBondContact O-CB 3.19Å; E185-N189 PolarHBondContact O-N 3Å |
| 190 | R | 83.6 | Confident | 73 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 170.7 | -166.6 | 171.2 | -173.3 | -159.6 | -0.9 | 110.9 | E136 L145 G186 K187 A188 V192 A193 V194 S201 S204 S206 | E136-R190 WeakPolarHBondContact OE2-CG 3.11Å; E136-R190 IonicContact OE2-NE 3.37Å; E136-R190 PolarHBondContact OE2-NE 3.35Å; E136-R190 VanDerWaalsContact OE2-NE 3.14Å; L145-R190 HydrophobicContact CD2-CB 3.96Å; L145-R190 HydrophobicContact CD2-CG 4.38Å; G186-R190 VanDerWaalsContact O-CB 3.28Å; G186-R190 WeakPolarHBondContact O-CB 3.17Å; G186-R190 PolarHBondContact O-N 3.44Å; K187-R190 WeakPolarHBondContact O-CB 3.48Å; K187-R190 PolarHBondContact O-N 2.87Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.91Å; R190-V192 PolarHBondContact O-N 2.83Å; R190-A193 WeakPolarHBondContact O-CB 3.44Å; R190-A193 PolarHBondContact O-N 3.49Å; R190-A193 VanDerWaalsContact O-N 3.12Å; R190-V194 VanDerWaalsContact O-CG2 3.23Å; R190-V194 WeakPolarHBondContact O-CG2 3.23Å; R190-V194 PolarHBondContact O-N 3.21Å; R190-S201 PolarHBondContact NH2-O 2.97Å; R190-S204 PolarHBondContact NH2-O 3.43Å; R190-S204 PolarHBondContact NH2-OG 2.64Å; R190-S206 PolarHBondContact NH1-OG 3.22Å; R190-S206 PolarHBondContact NH2-OG 3.22Å |
| 191 | H | 65.3 | Low | 71.7 | Confident | 123 Ų | 123 | 65.8 Ų | 65.8 | 57% | 0.569 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.5 | -38.5 | 179.9 | -80.4 | 75.6 | 0 | 0 | 0 | 113.9 | K187 A188 A193 V194 T195 | K187-H191 PolarHBondContact O-N 3Å; K187-H191 PolarHBondContact O-ND1 3.21Å; A188-H191 WeakPolarHBondContact O-CB 3.13Å; A188-H191 PolarHBondContact O-N 3.09Å; H191-A193 PolarHBondContact O-N 2.78Å; H191-V194 WeakPolarHBondContact O-CA 3.17Å; H191-V194 VanDerWaalsContact O-CB 3.28Å; H191-V194 WeakPolarHBondContact O-CB 3.37Å; H191-V194 PolarHBondContact O-N 3.15Å; H191-T195 PolarHBondContact O-N 3.35Å |
| 192 | V | 59.7 | Low | 70.6 | Confident | 99 Ų | 99 | 61.7 Ų | 61.7 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.7 | -29.5 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | A188 R190 V194 T195 | A188-V192 WeakPolarHBondContact O-CG2 3.35Å; A188-V192 PolarHBondContact O-N 3.25Å; R190-V192 PolarHBondContact O-N 2.83Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V192-T195 PolarHBondContact O-OG1 3.09Å; V192-T195 VanDerWaalsContact O-OG1 3.09Å |
| 193 | A | 57.2 | Low | 69.7 | Low | 24 Ų | 24 | 63.7 Ų | 63.7 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -31.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R190 H191 | R190-A193 WeakPolarHBondContact O-CB 3.44Å; R190-A193 PolarHBondContact O-N 3.49Å; R190-A193 VanDerWaalsContact O-N 3.12Å; H191-A193 PolarHBondContact O-N 2.78Å |
| 194 | V | 56.3 | Low | 69.4 | Low | 35 Ų | 35 | 63.6 Ų | 63.6 | 21% | 0.212 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -78.7 | -33.7 | -172 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | R190 H191 V192 N196 M197 N198 H200 | R190-V194 VanDerWaalsContact O-CG2 3.23Å; R190-V194 WeakPolarHBondContact O-CG2 3.23Å; R190-V194 PolarHBondContact O-N 3.21Å; H191-V194 WeakPolarHBondContact O-CA 3.17Å; H191-V194 VanDerWaalsContact O-CB 3.28Å; H191-V194 WeakPolarHBondContact O-CB 3.37Å; H191-V194 PolarHBondContact O-N 3.15Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V194-N196 PolarHBondContact O-N 2.96Å; V194-M197 CarbonylContact O-C 3.44Å; V194-M197 PolarHBondContact O-N 3.22Å; V194-N198 WeakPolarHBondContact CG1-O 3.4Å; V194-H200 HydrophobicContact CB-CB 4.16Å; V194-H200 HydrophobicContact CG1-CB 3.91Å; V194-H200 HydrophobicContact CG2-CB 3.42Å; V194-H200 VanDerWaalsContact CG2-CB 3.42Å |
| 195 | T | 46.2 | Very low | 69.2 | Low | 121 Ų | 121 | 61 Ų | 61 | 74% | 0.742 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -12.7 | -179.1 | 33.2 | 0 | 0 | 0 | 0 | 114.2 | H191 V192 | H191-T195 PolarHBondContact O-N 3.35Å; V192-T195 PolarHBondContact O-OG1 3.09Å; V192-T195 VanDerWaalsContact O-OG1 3.09Å |
| 196 | N | 43.3 | Very low | 69.2 | Low | 153 Ų | 153 | 57.8 Ų | 57.8 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -9.8 | 173.5 | -104.2 | -12.7 | 0 | 0 | 0 | 114.9 | V194 | V194-N196 PolarHBondContact O-N 2.96Š|
| 197 | M | 40.6 | Very low | 69.3 | Low | 118 Ų | 118 | 57.8 Ų | 57.8 | 58% | 0.581 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -173.2 | 100.4 | -177.9 | -107.9 | 168.8 | 146 | 0 | 0 | 112.7 | V194 | V194-M197 CarbonylContact O-C 3.44Å; V194-M197 PolarHBondContact O-N 3.22Å |
| 198 | N | 40.9 | Very low | 69.7 | Low | 105 Ų | 105 | 55.4 Ų | 55.4 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 45.3 | 174.2 | 162.4 | -69.6 | -25 | 0 | 0 | 0 | 119.7 | V194 H200 | V194-N198 WeakPolarHBondContact CG1-O 3.4Å; N198-H200 PolarHBondContact O-N 3.47Å |
| 199 | E | 54 | Low | 70.1 | Confident | 136 Ų | 136 | 53.8 Ų | 53.8 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | trans | -60 | 88.6 | -177.2 | -166.5 | 177.3 | -174.5 | 0 | 0 | 113 | S202 | E199-S202 PolarHBondContact O-OG 3.14Å; E199-S202 VanDerWaalsContact O-OG 3.06Å | ||
| 200 | H | 60.2 | Low | 70.5 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | trans | -82.5 | -21.3 | -167.6 | -172.1 | -98.9 | 0 | 0 | 0 | 115.6 | E136 Y138 V194 N198 S202 R203 S204 | E136-H200 IonicContact OE1-CE1 2.77Å; E136-H200 IonicContact OE2-CE1 3.63Å; E136-H200 PolarHBondContact OE2-CE1 3.31Å; E136-H200 IonicContact OE2-ND1 2.76Å; Y138-H200 AromaticContact CD1-NE2 3.49Å; Y138-H200 WeakPolarHBondContact CD1-NE2 3.47Å; Y138-H200 AromaticContact CD2-NE2 3.42Å; Y138-H200 WeakPolarHBondContact CD2-NE2 3.48Å; Y138-H200 AromaticContact CE1-NE2 3.72Å; Y138-H200 AromaticContact CE2-CD2 3.84Å; Y138-H200 AromaticContact CE2-NE2 3.67Å; Y138-H200 AromaticContact CG-NE2 3.32Å; Y138-H200 VanDerWaalsContact CG-NE2 3.32Å; Y138-H200 AromaticContact CZ-CD2 3.91Å; Y138-H200 AromaticContact CZ-NE2 3.79Å; V194-H200 HydrophobicContact CB-CB 4.16Å; V194-H200 HydrophobicContact CG1-CB 3.91Å; V194-H200 HydrophobicContact CG2-CB 3.42Å; V194-H200 VanDerWaalsContact CG2-CB 3.42Å; N198-H200 PolarHBondContact O-N 3.47Å; H200-S202 VanDerWaalsContact C-N 3.27Å; H200-S202 PolarHBondContact O-N 3.25Å; H200-R203 PolarHBondContact O-N 2.98Å; H200-S204 PolarHBondContact CE1-OG 2.88Å; H200-S204 PolarHBondContact ND1-OG 3.13Å; H200-S204 VanDerWaalsContact ND1-OG 3.09Å; H200-S204 PolarHBondContact O-N 2.82Å; H200-S204 PolarHBondContact O-OG 3.36Å | ||
| 201 | S | 65.7 | Low | 71.1 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.1 | -174.7 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | R190 R203 | R190-S201 PolarHBondContact NH2-O 2.97Å; S201-R203 PolarHBondContact O-N 3.41Å |
| 202 | S | 71.6 | Confident | 72.5 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.2 | 173.4 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | T87 E199 H200 A233 G234 | T87-S202 WeakPolarHBondContact OG1-CB 3.19Å; E199-S202 PolarHBondContact O-OG 3.14Å; E199-S202 VanDerWaalsContact O-OG 3.06Å; H200-S202 VanDerWaalsContact C-N 3.27Å; H200-S202 PolarHBondContact O-N 3.25Å; S202-A233 WeakPolarHBondContact O-CB 3.15Å; S202-G234 PolarHBondContact O-N 2.67Å |
| 203 | R | 78.1 | Confident | 74.2 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -3.4 | -163.7 | -70.6 | -164 | -169.9 | 174.8 | -1.3 | 114.4 | Y138 H200 S201 E250 I254 | Y138-R203 HydrophobicContact CE2-CB 4.43Å; H200-R203 PolarHBondContact O-N 2.98Å; S201-R203 PolarHBondContact O-N 3.41Å; R203-E250 WeakPolarHBondContact CD-OE1 3.16Å; R203-E250 IonicContact CZ-OE1 2.83Å; R203-E250 IonicContact NE-OE1 3.22Å; R203-E250 IonicContact NH1-OE1 3.57Å; R203-E250 PolarHBondContact NH1-OE1 2.87Å; R203-E250 IonicContact NH1-OE2 2.83Å; R203-E250 PolarHBondContact NH1-OE2 2.6Å; R203-I254 HydrophobicContact CB-CD1 3.38Å; R203-I254 HydrophobicContact CG-CD1 3.7Å; R203-I254 WeakPolarHBondContact O-CD1 3.36Å; R203-I254 WeakPolarHBondContact O-CG1 3.22Å |
| 204 | S | 86.8 | Confident | 75.8 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -128.8 | 145.9 | 177.6 | 45.7 | 0 | 0 | 0 | 0 | 109.8 | I137 R190 H200 | I137-S204 WeakPolarHBondContact O-CA 3.46Å; R190-S204 PolarHBondContact NH2-O 3.43Å; R190-S204 PolarHBondContact NH2-OG 2.64Å; H200-S204 PolarHBondContact CE1-OG 2.88Å; H200-S204 PolarHBondContact ND1-OG 3.13Å; H200-S204 VanDerWaalsContact ND1-OG 3.09Å; H200-S204 PolarHBondContact O-N 2.82Å; H200-S204 PolarHBondContact O-OG 3.36Å |
| 205 | H | 91.5 | Very high | 77.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.4 | 173.6 | -51.2 | -80.1 | 0 | 0 | 0 | 108.7 | E136 I137 D231 L232 A233 S257 M283 | E136-H205 CarbonylContact C-O 3.56Å; E136-H205 WeakPolarHBondContact CA-O 3.44Å; E136-H205 WeakPolarHBondContact CB-O 3.3Å; I137-H205 HydrophobicContact CB-CB 4.32Å; I137-H205 PolarHBondContact N-O 3.49Å; I137-H205 PolarHBondContact O-N 3.11Å; H205-D231 CarbonylContact C-O 3.52Å; H205-D231 WeakPolarHBondContact CA-O 3.42Å; H205-L232 HydrophobicContact CB-CD2 4.43Å; H205-L232 WeakPolarHBondContact ND1-CA 3.37Å; H205-L232 WeakPolarHBondContact ND1-CD2 3.38Å; H205-A233 WeakPolarHBondContact CE1-CB 3.15Å; H205-A233 PolarHBondContact CE1-N 3.02Å; H205-A233 PolarHBondContact ND1-N 3.43Å; H205-S257 PolarHBondContact NE2-OG 2.88Å; H205-M283 HydrophobicContact CB-SD 4.42Å |
| 206 | S | 93.1 | Very high | 79.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.5 | 174 | -74.5 | 0 | 0 | 0 | 0 | 110.5 | R190 V230 D231 | R190-S206 PolarHBondContact NH1-OG 3.22Å; R190-S206 PolarHBondContact NH2-OG 3.22Å; S206-V230 WeakPolarHBondContact O-CA 3.06Å; S206-D231 PolarHBondContact N-O 2.85Å; S206-D231 PolarHBondContact O-N 3.39Å |
| 207 | I | 95.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.5 | 179.5 | -61.4 | 169.3 | 0 | 0 | 0 | 108 | Y134 F135 I137 Y228 V230 | Y134-I207 WeakPolarHBondContact CD2-O 3.48Å; F135-I207 HydrophobicContact CD2-CB 4.15Å; F135-I207 HydrophobicContact CD2-CD1 4.46Å; F135-I207 HydrophobicContact CE1-CB 4.39Å; F135-I207 HydrophobicContact CE1-CG2 4.08Å; F135-I207 HydrophobicContact CE2-CB 3.69Å; F135-I207 HydrophobicContact CE2-CD1 3.66Å; F135-I207 HydrophobicContact CE2-CG1 4.21Å; F135-I207 HydrophobicContact CE2-CG2 3.94Å; F135-I207 HydrophobicContact CZ-CB 3.82Å; F135-I207 HydrophobicContact CZ-CD1 4.25Å; F135-I207 HydrophobicContact CZ-CG2 3.54Å; F135-I207 PolarHBondContact N-O 2.97Å; F135-I207 VanDerWaalsContact N-O 3.15Å; F135-I207 PolarHBondContact O-N 3.39Å; I137-I207 HydrophobicContact CD1-CD1 3.73Å; I137-I207 HydrophobicContact CG1-CD1 4.25Å; I207-Y228 HydrophobicContact CG2-CD1 3.92Å; I207-V230 HydrophobicContact CG1-CG1 4.08Å; I207-V230 HydrophobicContact CG1-CG2 4.31Å |
| 208 | F | 97.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 121 | 170.6 | -167.4 | -97.8 | 0 | 0 | 0 | 108.6 | I108 V132 Y134 V179 V182 I183 I210 L229 | I108-F208 HydrophobicContact CG2-CD1 4.21Å; I108-F208 HydrophobicContact CG2-CE1 4.41Å; V132-F208 HydrophobicContact CB-CE1 4.41Å; V132-F208 HydrophobicContact CB-CE2 4.46Å; V132-F208 HydrophobicContact CB-CZ 3.88Å; V132-F208 HydrophobicContact CG1-CE1 4.1Å; V132-F208 HydrophobicContact CG1-CZ 3.89Å; V132-F208 HydrophobicContact CG2-CZ 4.5Å; Y134-F208 HydrophobicContact CD1-CD2 4.1Å; Y134-F208 HydrophobicContact CD1-CE2 4.5Å; Y134-F208 HydrophobicContact CD2-CB 4Å; Y134-F208 AromaticContact CD2-CD2 3.71Å; Y134-F208 HydrophobicContact CD2-CD2 3.71Å; Y134-F208 HydrophobicContact CD2-CG 4.38Å; Y134-F208 HydrophobicContact CE2-CB 4.22Å; Y134-F208 HydrophobicContact CE2-CD2 4.29Å; Y134-F208 AromaticContact CG-CD2 3.62Å; Y134-F208 HydrophobicContact CG-CD2 3.62Å; Y134-F208 HydrophobicContact CG-CE2 4.27Å; V179-F208 HydrophobicContact CG1-CE1 4.17Å; V179-F208 HydrophobicContact CG1-CZ 3.96Å; V182-F208 HydrophobicContact CG1-CE2 4.06Å; I183-F208 HydrophobicContact CD1-CE2 4.49Å; I183-F208 HydrophobicContact CD1-CZ 4.31Å; I183-F208 HydrophobicContact CG1-CD2 4.19Å; I183-F208 HydrophobicContact CG1-CE2 3.65Å; I183-F208 HydrophobicContact CG1-CZ 3.9Å; F208-I210 HydrophobicContact CD1-CD1 4.25Å; F208-I210 HydrophobicContact CD1-CG1 3.8Å; F208-I210 HydrophobicContact CE1-CD1 3.92Å; F208-I210 HydrophobicContact CE1-CG1 3.54Å; F208-L229 HydrophobicContact CB-CB 4.28Å; F208-L229 HydrophobicContact CD1-CD1 4.19Å; F208-L229 PolarHBondContact N-O 2.91Å; F208-L229 PolarHBondContact O-N 3.35Å |
| 209 | L | 96.8 | Very high | 86 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.7 | -179.1 | 171.7 | 61.4 | 0 | 0 | 0 | 108.9 | V132 S133 K226 L227 Y228 | V132-L209 CarbonylContact C-O 3.57Å; V132-L209 VanDerWaalsContact CA-O 3.25Å; V132-L209 WeakPolarHBondContact CA-O 3.41Å; S133-L209 PolarHBondContact N-O 3.38Å; S133-L209 PolarHBondContact O-N 3.35Å; L209-K226 HydrophobicContact CD1-CB 4.14Å; L209-L227 WeakPolarHBondContact CA-O 3.47Å; L209-Y228 HydrophobicContact CB-CD1 4.44Å; L209-Y228 HydrophobicContact CB-CE1 4.45Å; L209-Y228 HydrophobicContact CD1-CD1 3.91Å; L209-Y228 HydrophobicContact CD1-CD2 4.09Å; L209-Y228 HydrophobicContact CD1-CE1 3.75Å; L209-Y228 HydrophobicContact CD1-CE2 3.95Å; L209-Y228 HydrophobicContact CD1-CG 4.08Å; L209-Y228 HydrophobicContact CD2-CE1 4.1Å; L209-Y228 HydrophobicContact CG-CE1 4.32Å |
| 210 | I | 97.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.9 | 168.3 | -51.9 | 176.6 | 0 | 0 | 0 | 107.7 | I111 I115 I130 V132 F208 I212 L227 L229 | I111-I210 HydrophobicContact CG2-CD1 3.89Å; I115-I210 HydrophobicContact CD1-CD1 4.02Å; I115-I210 HydrophobicContact CD1-CG2 4.12Å; I130-I210 HydrophobicContact CG2-CG2 3.86Å; V132-I210 HydrophobicContact CG1-CG1 4.26Å; V132-I210 HydrophobicContact CG1-CG2 4.49Å; F208-I210 HydrophobicContact CD1-CD1 4.25Å; F208-I210 HydrophobicContact CD1-CG1 3.8Å; F208-I210 HydrophobicContact CE1-CD1 3.92Å; F208-I210 HydrophobicContact CE1-CG1 3.54Å; I210-I212 HydrophobicContact CG2-CD1 4.45Å; I210-I212 HydrophobicContact CG2-CG1 3.95Å; I210-L227 HydrophobicContact CB-CB 4.36Å; I210-L227 PolarHBondContact N-O 3.37Å; I210-L227 PolarHBondContact O-N 2.92Å; I210-L229 HydrophobicContact CD1-CD1 4.06Å |
| 211 | N | 95.6 | Very high | 88.6 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.4 | 175.9 | -179.6 | 14.1 | 0 | 0 | 0 | 108.5 | I130 K131 S224 | I130-N211 WeakPolarHBondContact CA-O 3.48Å; K131-N211 HydrophobicContact CB-CB 4.31Å; K131-N211 PolarHBondContact N-O 3.26Å; K131-N211 PolarHBondContact O-N 3.2Å; N211-S224 PolarHBondContact OD1-OG 2.92Å |
| 212 | I | 95.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.3 | 179.9 | -50.5 | 179.1 | 0 | 0 | 0 | 107.3 | V73 L74 I115 F128 I210 S224 G225 | V73-I212 HydrophobicContact CG1-CD1 3.91Å; V73-I212 HydrophobicContact CG1-CG1 4.36Å; L74-I212 HydrophobicContact CD2-CD1 3.9Å; L74-I212 HydrophobicContact CD2-CG2 4.36Å; L74-I212 HydrophobicContact CG-CD1 4.48Å; I115-I212 HydrophobicContact CD1-CD1 3.79Å; I115-I212 HydrophobicContact CG1-CD1 3.99Å; I115-I212 HydrophobicContact CG2-CD1 3.95Å; F128-I212 HydrophobicContact CD1-CG2 4.15Å; I210-I212 HydrophobicContact CG2-CD1 4.45Å; I210-I212 HydrophobicContact CG2-CG1 3.95Å; I212-S224 CarbonylContact O-C 3.56Å; I212-S224 WeakPolarHBondContact O-CA 3.47Å; I212-G225 PolarHBondContact N-O 3.16Å; I212-G225 PolarHBondContact O-N 2.84Å |
| 213 | K | 94.1 | Very high | 90.8 | Very high | 102 Ų | 102 | 44 Ų | 44 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.3 | 166.8 | -66.1 | -174 | 177.2 | -166.6 | 0 | 108.6 | F128 H129 L223 | F128-K213 CarbonylContact C-O 3.56Å; F128-K213 WeakPolarHBondContact CA-O 3.48Å; H129-K213 HydrophobicContact CB-CB 4.21Å; H129-K213 PolarHBondContact N-O 3.13Å; H129-K213 PolarHBondContact O-N 2.74Å; K213-L223 WeakPolarHBondContact CA-O 3.2Å |
| 214 | Q | 91.9 | Very high | 91.4 | Very high | 19 Ų | 19 | 43 Ų | 43 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.1 | 171.6 | 65.4 | -176.6 | -33.3 | 0 | 0 | 109.6 | L74 E127 F128 K222 L223 | L74-Q214 PolarHBondContact O-NE2 2.74Å; E127-Q214 CarbonylContact O-C 3.59Å; E127-Q214 VanDerWaalsContact O-CA 3.25Å; E127-Q214 WeakPolarHBondContact O-CA 3.38Å; F128-Q214 HydrophobicContact CD1-CB 3.67Å; F128-Q214 HydrophobicContact CE1-CB 3.6Å; F128-Q214 HydrophobicContact CE1-CG 4.41Å; F128-Q214 HydrophobicContact CG-CB 4.39Å; F128-Q214 HydrophobicContact CZ-CB 4.25Å; Q214-K222 CarbonylContact O-C 3.57Å; Q214-K222 VanDerWaalsContact O-CA 3.26Å; Q214-K222 WeakPolarHBondContact O-CA 3.32Å; Q214-L223 HydrophobicContact CG-CB 3.59Å; Q214-L223 HydrophobicContact CG-CD1 4.36Å; Q214-L223 HydrophobicContact CG-CG 4.47Å; Q214-L223 PolarHBondContact N-O 3.46Å; Q214-L223 PolarHBondContact O-N 2.78Å |
| 215 | E | 91.3 | Very high | 91.8 | Very high | 54 Ų | 54 | 43 Ų | 43 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 124.8 | 178.2 | 178.8 | 161.3 | -169.1 | 0 | 0 | 108.7 | E127 K221 K222 | E127-E215 PolarHBondContact N-O 2.9Å; E127-E215 PolarHBondContact O-N 3.47Å; E215-K221 WeakPolarHBondContact CA-O 3.34Å; E215-K222 HydrophobicContact CB-CG 4.34Å; E215-K222 VanDerWaalsContact CD-CE 3.5Å; E215-K222 HydrophobicContact CG-CG 4.11Å; E215-K222 WeakPolarHBondContact OE1-CE 3.47Å; E215-K222 IonicContact OE1-NZ 3.42Å; E215-K222 PolarHBondContact OE1-NZ 2.89Å; E215-K222 WeakPolarHBondContact OE2-CE 3.48Å; E215-K222 IonicContact OE2-NZ 3.01Å; E215-K222 PolarHBondContact OE2-NZ 3.12Å |
| 216 | N | 89.6 | Confident | 91.9 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.2 | 173.1 | -178.7 | -75.3 | 0 | 0 | 0 | 108.9 | N125 L126 E218 T219 E220 K221 | N125-N216 WeakPolarHBondContact O-CA 3.27Å; L126-N216 HydrophobicContact CD2-CB 3.73Å; N216-E218 VanDerWaalsContact C-N 3.29Å; N216-E218 PolarHBondContact O-N 2.75Å; N216-E218 PolarHBondContact OD1-N 3Å; N216-T219 VanDerWaalsContact CB-OG1 3.31Å; N216-T219 WeakPolarHBondContact CB-OG1 3.32Å; N216-T219 PolarHBondContact O-N 3.3Å; N216-T219 PolarHBondContact OD1-N 3.13Å; N216-T219 PolarHBondContact OD1-OG1 2.96Å; N216-E220 WeakPolarHBondContact O-CA 3.13Å; N216-E220 PolarHBondContact O-N 2.56Å; N216-K221 PolarHBondContact N-O 3.17Å |
| 217 | V | 87.8 | Confident | 92.1 | Very high | 93 Ų | 93 | 45 Ų | 45 | 56% | 0.564 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.9 | -171.7 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | N125 E127 | N125-V217 PolarHBondContact O-N 3.08Å; E127-V217 HydrophobicContact CB-CG2 4.45Å |
| 218 | E | 86.6 | Confident | 92.1 | Very high | 142 Ų | 142 | 45.7 Ų | 45.7 | 66% | 0.664 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -40.4 | -179.7 | -63.2 | -174.1 | 165.4 | 0 | 0 | 113.1 | N125 N216 | N125-E218 HydrophobicContact CB-CG 4.5Å; N125-E218 PolarHBondContact ND2-OE1 3.43Å; N216-E218 VanDerWaalsContact C-N 3.29Å; N216-E218 PolarHBondContact O-N 2.75Å; N216-E218 PolarHBondContact OD1-N 3Å |
| 219 | T | 84.4 | Confident | 92.2 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -7.2 | -174.4 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | N216 K221 T337 | N216-T219 VanDerWaalsContact CB-OG1 3.31Å; N216-T219 WeakPolarHBondContact CB-OG1 3.32Å; N216-T219 PolarHBondContact O-N 3.3Å; N216-T219 PolarHBondContact OD1-N 3.13Å; N216-T219 PolarHBondContact OD1-OG1 2.96Å; T219-K221 PolarHBondContact O-N 2.51Å; T219-T337 VanDerWaalsContact O-CG2 3.24Å; T219-T337 WeakPolarHBondContact O-CG2 3.26Å |
| 220 | E | 84.8 | Confident | 92.1 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 58% | 0.579 | 22% | 0.221 | S | C | * | . | trans | 54.6 | 16.1 | -173.6 | -58.2 | -177.7 | 169 | 0 | 0 | 114.1 | N216 T337 | N216-E220 WeakPolarHBondContact O-CA 3.13Å; N216-E220 PolarHBondContact O-N 2.56Å; E220-T337 HydrophobicContact CB-CG2 3.79Å | ||
| 221 | K | 85.8 | Confident | 92 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 34% | 0.339 | 22% | 0.221 | S | C | . | . | trans | -76.9 | 130.3 | -179.9 | -72.9 | -177.9 | 177.8 | -176.1 | 0 | 110.1 | E215 N216 T219 L334 E340 | E215-K221 WeakPolarHBondContact CA-O 3.34Å; N216-K221 PolarHBondContact N-O 3.17Å; T219-K221 PolarHBondContact O-N 2.51Å; K221-L334 HydrophobicContact CB-CD1 4.36Å; K221-E340 WeakPolarHBondContact CE-OE1 3.47Å; K221-E340 WeakPolarHBondContact CE-OE2 3.5Å; K221-E340 IonicContact NZ-OE1 3.69Å; K221-E340 PolarHBondContact NZ-OE1 3.27Å | ||
| 222 | K | 90.2 | Very high | 91.9 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 34% | 0.335 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.9 | 177.9 | -40.2 | -173.5 | -173.1 | -132.1 | 0 | 111.1 | Q214 E215 E335 | Q214-K222 CarbonylContact O-C 3.57Å; Q214-K222 VanDerWaalsContact O-CA 3.26Å; Q214-K222 WeakPolarHBondContact O-CA 3.32Å; E215-K222 HydrophobicContact CB-CG 4.34Å; E215-K222 VanDerWaalsContact CD-CE 3.5Å; E215-K222 HydrophobicContact CG-CG 4.11Å; E215-K222 WeakPolarHBondContact OE1-CE 3.47Å; E215-K222 IonicContact OE1-NZ 3.42Å; E215-K222 PolarHBondContact OE1-NZ 2.89Å; E215-K222 WeakPolarHBondContact OE2-CE 3.48Å; E215-K222 IonicContact OE2-NZ 3.01Å; E215-K222 PolarHBondContact OE2-NZ 3.12Å; K222-E335 HydrophobicContact CB-CB 4.09Å; K222-E335 PolarHBondContact N-O 3.03Å; K222-E335 PolarHBondContact O-N 3.16Å |
| 223 | L | 91.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.2 | 173.2 | -71.6 | 165.2 | 0 | 0 | 0 | 108.9 | K213 Q214 V332 N333 L334 | K213-L223 WeakPolarHBondContact CA-O 3.2Å; Q214-L223 HydrophobicContact CG-CB 3.59Å; Q214-L223 HydrophobicContact CG-CD1 4.36Å; Q214-L223 HydrophobicContact CG-CG 4.47Å; Q214-L223 PolarHBondContact N-O 3.46Å; Q214-L223 PolarHBondContact O-N 2.78Å; L223-V332 HydrophobicContact CD2-CG1 3.45Å; L223-V332 VanDerWaalsContact CD2-CG1 3.45Å; L223-N333 WeakPolarHBondContact CA-O 3.47Å; L223-L334 HydrophobicContact CD2-CB 3.86Å; L223-L334 HydrophobicContact CD2-CD1 3.62Å; L223-L334 HydrophobicContact CD2-CG 4.33Å; L223-L334 HydrophobicContact CG-CD1 3.99Å |
| 224 | S | 92.2 | Very high | 91.4 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 117.4 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | N211 I212 N333 | N211-S224 PolarHBondContact OD1-OG 2.92Å; I212-S224 CarbonylContact O-C 3.56Å; I212-S224 WeakPolarHBondContact O-CA 3.47Å; S224-N333 PolarHBondContact N-O 2.85Å; S224-N333 VanDerWaalsContact N-O 3.13Å; S224-N333 WeakPolarHBondContact O-CB 3.19Å; S224-N333 PolarHBondContact O-ND2 3.41Å; S224-N333 VanDerWaalsContact O-ND2 3.11Å |
| 225 | G | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | Y77 I212 | Y77-G225 VanDerWaalsContact O-CA 3.31Å; Y77-G225 WeakPolarHBondContact O-CA 3.24Å; I212-G225 PolarHBondContact N-O 3.16Å; I212-G225 PolarHBondContact O-N 2.84Å |
| 226 | K | 94.3 | Very high | 90.9 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.2 | 170.4 | -67.3 | -178.5 | -177.1 | 177.7 | 0 | 110.2 | N78 G79 L209 Y228 | N78-K226 CarbonylContact C-O 3.6Å; N78-K226 WeakPolarHBondContact CA-O 3.37Å; N78-K226 PolarHBondContact OD1-N 3.29Å; G79-K226 PolarHBondContact N-O 2.94Å; L209-K226 HydrophobicContact CD1-CB 4.14Å; K226-Y228 HydrophobicContact CB-CE2 4.21Å |
| 227 | L | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.8 | 177.2 | -177.5 | 52.1 | 0 | 0 | 0 | 110.5 | I69 V73 G79 I111 L209 I210 L229 | I69-L227 HydrophobicContact CG2-CD1 3.56Å; V73-L227 HydrophobicContact CG1-CB 4.15Å; V73-L227 HydrophobicContact CG2-CB 4.05Å; V73-L227 HydrophobicContact CG2-CD1 4.23Å; V73-L227 HydrophobicContact CG2-CG 4.5Å; G79-L227 WeakPolarHBondContact O-CA 3.29Å; I111-L227 HydrophobicContact CD1-CD2 4.16Å; I111-L227 HydrophobicContact CG2-CD2 3.8Å; L209-L227 WeakPolarHBondContact CA-O 3.47Å; I210-L227 HydrophobicContact CB-CB 4.36Å; I210-L227 PolarHBondContact N-O 3.37Å; I210-L227 PolarHBondContact O-N 2.92Å; L227-L229 HydrophobicContact CD1-CD2 4.07Å; L227-L229 HydrophobicContact CD2-CD2 4.29Å; L227-L229 HydrophobicContact CG-CD2 3.92Å; L227-L229 HydrophobicContact CG-CG 4.21Å |
| 228 | Y | 97 | Very high | 89.6 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.7 | 173.8 | -68.6 | -91 | 0 | 0 | 0 | 110.4 | G79 T80 I81 I207 L209 K226 I286 | G79-Y228 PolarHBondContact O-N 3.3Å; T80-Y228 CarbonylContact C-O 3.59Å; T80-Y228 VanDerWaalsContact CA-O 3.3Å; T80-Y228 WeakPolarHBondContact CA-O 3.32Å; I81-Y228 PolarHBondContact N-O 3.09Å; I207-Y228 HydrophobicContact CG2-CD1 3.92Å; L209-Y228 HydrophobicContact CB-CD1 4.44Å; L209-Y228 HydrophobicContact CB-CE1 4.45Å; L209-Y228 HydrophobicContact CD1-CD1 3.91Å; L209-Y228 HydrophobicContact CD1-CD2 4.09Å; L209-Y228 HydrophobicContact CD1-CE1 3.75Å; L209-Y228 HydrophobicContact CD1-CE2 3.95Å; L209-Y228 HydrophobicContact CD1-CG 4.08Å; L209-Y228 HydrophobicContact CD2-CE1 4.1Å; L209-Y228 HydrophobicContact CG-CE1 4.32Å; K226-Y228 HydrophobicContact CB-CE2 4.21Å; Y228-I286 HydrophobicContact CE1-CG2 4.02Å |
| 229 | L | 97.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 109.9 | 176.3 | -56.1 | 174.5 | 0 | 0 | 0 | 107.6 | I81 M95 I108 I111 F208 I210 L227 | I81-L229 HydrophobicContact CB-CD2 3.97Å; I81-L229 HydrophobicContact CD1-CD2 3.93Å; I81-L229 HydrophobicContact CG1-CD2 4.16Å; M95-L229 HydrophobicContact CE-CB 3.74Å; M95-L229 HydrophobicContact CE-CD2 4.44Å; I108-L229 HydrophobicContact CB-CD1 4.22Å; I108-L229 HydrophobicContact CD1-CB 4.33Å; I108-L229 HydrophobicContact CG1-CB 4.08Å; I108-L229 HydrophobicContact CG1-CD1 3.73Å; I108-L229 HydrophobicContact CG1-CG 4.44Å; I108-L229 HydrophobicContact CG2-CD1 4.1Å; I111-L229 HydrophobicContact CD1-CD1 3.96Å; I111-L229 HydrophobicContact CD1-CD2 3.53Å; I111-L229 HydrophobicContact CD1-CG 4.42Å; F208-L229 HydrophobicContact CB-CB 4.28Å; F208-L229 HydrophobicContact CD1-CD1 4.19Å; F208-L229 PolarHBondContact N-O 2.91Å; F208-L229 PolarHBondContact O-N 3.35Å; I210-L229 HydrophobicContact CD1-CD1 4.06Å; L227-L229 HydrophobicContact CD1-CD2 4.07Å; L227-L229 HydrophobicContact CD2-CD2 4.29Å; L227-L229 HydrophobicContact CG-CD2 3.92Å; L227-L229 HydrophobicContact CG-CG 4.21Å |
| 230 | V | 96.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.8 | -166.2 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | T80 I81 F82 A83 S206 I207 L232 L287 | T80-V230 HydrophobicContact CG2-CG2 4.31Å; I81-V230 PolarHBondContact O-N 3.43Å; F82-V230 CarbonylContact C-O 3.47Å; F82-V230 HydrophobicContact CD1-CB 3.74Å; F82-V230 HydrophobicContact CD1-CG1 3.92Å; F82-V230 HydrophobicContact CD1-CG2 4.11Å; F82-V230 HydrophobicContact CE1-CB 4.05Å; F82-V230 HydrophobicContact CE1-CG1 4.12Å; F82-V230 HydrophobicContact CE1-CG2 3.95Å; A83-V230 PolarHBondContact N-O 2.79Å; S206-V230 WeakPolarHBondContact O-CA 3.06Å; I207-V230 HydrophobicContact CG1-CG1 4.08Å; I207-V230 HydrophobicContact CG1-CG2 4.31Å; V230-L232 HydrophobicContact CG1-CD2 3.49Å; V230-L232 VanDerWaalsContact CG1-CD2 3.49Å; V230-L232 HydrophobicContact CG1-CG 3.92Å; V230-L287 HydrophobicContact CG2-CD2 3.91Å |
| 231 | D | 95.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 103.3 | 167.3 | -171.9 | 12.1 | 0 | 0 | 0 | 108.6 | K91 T92 M95 H205 S206 | K91-D231 WeakPolarHBondContact CB-OD1 3.25Å; T92-D231 VanDerWaalsContact CA-OD2 3.29Å; T92-D231 WeakPolarHBondContact CA-OD2 3.25Å; T92-D231 WeakPolarHBondContact CB-OD2 3.15Å; T92-D231 PolarHBondContact OG1-OD2 3.42Å; M95-D231 HydrophobicContact CB-CB 4.48Å; M95-D231 HydrophobicContact CG-CB 4.17Å; H205-D231 CarbonylContact C-O 3.52Å; H205-D231 WeakPolarHBondContact CA-O 3.42Å; S206-D231 PolarHBondContact N-O 2.85Å; S206-D231 PolarHBondContact O-N 3.39Å |
| 232 | L | 92.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 156.9 | -176.7 | -63.2 | 172.8 | 0 | 0 | 0 | 111.2 | F82 A83 Y84 K91 H205 V230 L258 L261 M283 | F82-L232 HydrophobicContact CD1-CD1 4.2Å; A83-L232 WeakPolarHBondContact O-CB 3.45Å; A83-L232 PolarHBondContact O-N 2.94Å; Y84-L232 HydrophobicContact CD2-CD1 3.72Å; Y84-L232 HydrophobicContact CG-CD1 4.46Å; K91-L232 WeakPolarHBondContact CD-O 3.5Å; K91-L232 WeakPolarHBondContact CE-O 3.19Å; H205-L232 HydrophobicContact CB-CD2 4.43Å; H205-L232 WeakPolarHBondContact ND1-CA 3.37Å; H205-L232 WeakPolarHBondContact ND1-CD2 3.38Å; V230-L232 HydrophobicContact CG1-CD2 3.49Å; V230-L232 VanDerWaalsContact CG1-CD2 3.49Å; V230-L232 HydrophobicContact CG1-CG 3.92Å; L232-L258 HydrophobicContact CB-CD2 4.32Å; L232-L258 HydrophobicContact CD1-CD2 4.38Å; L232-L261 HydrophobicContact CD1-CD2 3.87Å; L232-M283 HydrophobicContact CD2-CE 4.44Å; L232-M283 HydrophobicContact CD2-SD 3.57Å; L232-M283 VanDerWaalsContact CD2-SD 3.57Å |
| 233 | A | 90.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 167.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | S202 H205 S235 I254 | S202-A233 WeakPolarHBondContact O-CB 3.15Å; H205-A233 WeakPolarHBondContact CE1-CB 3.15Å; H205-A233 PolarHBondContact CE1-N 3.02Å; H205-A233 PolarHBondContact ND1-N 3.43Å; A233-S235 PolarHBondContact O-N 3.14Å; A233-I254 HydrophobicContact CB-CG2 3.53Å |
| 234 | G | 89 | Confident | 83.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -57.7 | 129.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S202 E236 L258 | S202-G234 PolarHBondContact O-N 2.67Å; G234-E236 VanDerWaalsContact C-N 3.3Å; G234-E236 WeakPolarHBondContact CA-OE2 3.48Å; G234-L258 VanDerWaalsContact O-CD1 3.24Å; G234-L258 WeakPolarHBondContact O-CD1 3.34Å |
| 235 | S | 88.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 40 Ų | 40 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | trans | -86.2 | 3.4 | 177.7 | 69.8 | 0 | 0 | 0 | 0 | 114.5 | Y84 G85 Q86 A233 | Y84-S235 VanDerWaalsContact CZ-CB 3.44Å; Y84-S235 WeakPolarHBondContact OH-CB 3.29Å; G85-S235 WeakPolarHBondContact CA-OG 3.39Å; G85-S235 PolarHBondContact O-N 3.46Å; G85-S235 VanDerWaalsContact O-N 3.17Å; Q86-S235 PolarHBondContact N-OG 2.92Å; Q86-S235 VanDerWaalsContact N-OG 3.16Å; A233-S235 PolarHBondContact O-N 3.14Å | ||
| 236 | E | 84 | Confident | 81.6 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | trans | -65.7 | 147.4 | -178.8 | 63.1 | -83 | -165.4 | 0 | 0 | 112.7 | Q86 T87 G234 V238 T241 E312 | Q86-E236 VanDerWaalsContact CA-OE2 3.25Å; Q86-E236 WeakPolarHBondContact CA-OE2 3.43Å; Q86-E236 HydrophobicContact CB-CB 4.22Å; T87-E236 WeakPolarHBondContact CB-OE1 3.37Å; T87-E236 PolarHBondContact N-OE2 3.42Å; T87-E236 VanDerWaalsContact OG1-CD 3.3Å; T87-E236 PolarHBondContact OG1-OE1 2.89Å; T87-E236 PolarHBondContact OG1-OE2 2.72Å; G234-E236 VanDerWaalsContact C-N 3.3Å; G234-E236 WeakPolarHBondContact CA-OE2 3.48Å; E236-V238 PolarHBondContact O-N 3.44Å; E236-T241 HydrophobicContact CG-CG2 4.45Å; E236-E312 HydrophobicContact CB-CG 4.47Å | ||
| 237 | K | 75.8 | Confident | 80.3 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | trans | -64.7 | 136.8 | 177.5 | -66.2 | -177.8 | 179.6 | -178.9 | 0 | 111.2 | S239 K240 | K237-S239 PolarHBondContact O-N 2.79Å; K237-K240 WeakPolarHBondContact O-CB 3.25Å; K237-K240 PolarHBondContact O-N 2.58Å | ||
| 238 | V | 73 | Confident | 79.1 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -49.5 | -37.5 | 174 | -176 | 0 | 0 | 0 | 0 | 112.1 | E236 K240 T241 L248 A251 N255 | E236-V238 PolarHBondContact O-N 3.44Å; V238-K240 PolarHBondContact O-N 2.86Å; V238-K240 VanDerWaalsContact O-N 3.12Å; V238-T241 WeakPolarHBondContact O-CB 3.47Å; V238-T241 PolarHBondContact O-N 2.89Å; V238-T241 PolarHBondContact O-OG1 2.99Å; V238-L248 HydrophobicContact CG1-CD1 3.33Å; V238-A251 HydrophobicContact CG1-CB 3.87Å; V238-A251 HydrophobicContact CG2-CB 4.1Å; V238-N255 HydrophobicContact CG2-CB 4.4Å; V238-N255 WeakPolarHBondContact CG2-ND2 3.24Å |
| 239 | S | 68.8 | Low | 77.9 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -59.2 | -24.5 | 178.9 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | K237 | K237-S239 PolarHBondContact O-N 2.79Š|
| 240 | K | 65.1 | Low | 76.6 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -83.1 | -17.8 | 177 | -99 | -170.8 | 169.6 | -169.1 | 0 | 113.2 | K237 V238 G242 Y308 E312 | K237-K240 WeakPolarHBondContact O-CB 3.25Å; K237-K240 PolarHBondContact O-N 2.58Å; V238-K240 PolarHBondContact O-N 2.86Å; V238-K240 VanDerWaalsContact O-N 3.12Å; K240-G242 VanDerWaalsContact C-N 3.32Å; K240-G242 PolarHBondContact O-N 3.48Å; K240-Y308 PolarHBondContact NZ-O 2.78Å; K240-E312 HydrophobicContact CD-CG 4.28Å |
| 241 | T | 64.8 | Low | 75.4 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.6 | -173.1 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | E236 V238 A243 | E236-T241 HydrophobicContact CG-CG2 4.45Å; V238-T241 WeakPolarHBondContact O-CB 3.47Å; V238-T241 PolarHBondContact O-N 2.89Å; V238-T241 PolarHBondContact O-OG1 2.99Å; T241-A243 PolarHBondContact O-N 2.93Å; T241-A243 VanDerWaalsContact O-N 3.13Å; T241-A243 VanDerWaalsContact OG1-CB 3.29Å; T241-A243 WeakPolarHBondContact OG1-CB 3.44Å; T241-A243 PolarHBondContact OG1-N 3.06Å |
| 242 | G | 64.8 | Low | 74.4 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 17.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K240 | K240-G242 VanDerWaalsContact C-N 3.32Å; K240-G242 PolarHBondContact O-N 3.48Å |
| 243 | A | 64.4 | Low | 73.5 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | trans | -70.1 | 132.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T241 V247 L248 | T241-A243 PolarHBondContact O-N 2.93Å; T241-A243 VanDerWaalsContact O-N 3.13Å; T241-A243 VanDerWaalsContact OG1-CB 3.29Å; T241-A243 WeakPolarHBondContact OG1-CB 3.44Å; T241-A243 PolarHBondContact OG1-N 3.06Å; A243-V247 HydrophobicContact CB-CB 4.1Å; A243-V247 HydrophobicContact CB-CG1 3.69Å; A243-L248 HydrophobicContact CB-CB 4.42Å | ||
| 244 | E | 69.3 | Low | 72.7 | Confident | 169 Ų | 169 | 58.3 Ų | 58.3 | 79% | 0.79 | 35% | 0.345 | S | S | * | . | trans | -122 | 157.1 | 175.3 | -65.5 | -175 | 174.1 | 0 | 0 | 110.7 | V247 | E244-V247 PolarHBondContact O-N 3.35Š| ||
| 245 | G | 76 | Confident | 72.1 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -135.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | V247 L248 | G245-V247 PolarHBondContact O-N 2.95Å; G245-L248 VanDerWaalsContact O-CB 3.32Å; G245-L248 WeakPolarHBondContact O-CB 3.41Å; G245-L248 PolarHBondContact O-N 3.37Å |
| 246 | A | 68.4 | Low | 71.9 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.9 | -30.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L248 D249 E250 | A246-L248 VanDerWaalsContact C-N 3.29Å; A246-L248 PolarHBondContact O-N 3.48Å; A246-D249 PolarHBondContact O-N 3.06Å; A246-E250 WeakPolarHBondContact O-CB 3.4Å; A246-E250 PolarHBondContact O-N 3.38Å |
| 247 | V | 67.9 | Low | 72 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 22% | 0.218 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69 | -30.3 | 178.7 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | A243 E244 G245 A251 | A243-V247 HydrophobicContact CB-CB 4.1Å; A243-V247 HydrophobicContact CB-CG1 3.69Å; E244-V247 PolarHBondContact O-N 3.35Å; G245-V247 PolarHBondContact O-N 2.95Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.26Å |
| 248 | L | 72.1 | Confident | 72.6 | Confident | 56 Ų | 56 | 57.3 Ų | 57.3 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 176.7 | -178.8 | 67.4 | 0 | 0 | 0 | 111.3 | V238 A243 G245 A246 E250 A251 K252 | V238-L248 HydrophobicContact CG1-CD1 3.33Å; A243-L248 HydrophobicContact CB-CB 4.42Å; G245-L248 VanDerWaalsContact O-CB 3.32Å; G245-L248 WeakPolarHBondContact O-CB 3.41Å; G245-L248 PolarHBondContact O-N 3.37Å; A246-L248 VanDerWaalsContact C-N 3.29Å; A246-L248 PolarHBondContact O-N 3.48Å; L248-E250 VanDerWaalsContact C-N 3.31Å; L248-A251 PolarHBondContact O-N 3.06Å; L248-K252 WeakPolarHBondContact O-CG 3.39Å; L248-K252 PolarHBondContact O-N 3.35Å |
| 249 | D | 71.4 | Confident | 73.3 | Confident | 87 Ų | 87 | 59 Ų | 59 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.2 | -31.8 | 179.2 | -71.4 | -24.7 | 0 | 0 | 0 | 111.9 | A246 K252 N253 | A246-D249 PolarHBondContact O-N 3.06Å; D249-K252 IonicContact OD1-NZ 3.96Å; D249-K252 PolarHBondContact OD1-NZ 3.05Å; D249-N253 PolarHBondContact O-N 2.9Å; D249-N253 VanDerWaalsContact O-N 3.11Å; D249-N253 PolarHBondContact O-ND2 2.73Å |
| 250 | E | 71.3 | Confident | 74.4 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -54 | 167.2 | -172.7 | -164.1 | 149.9 | 0 | 0 | 111.3 | Y138 L139 R203 A246 L248 K252 N253 I254 | Y138-E250 HydrophobicContact CE2-CG 3.92Å; Y138-E250 VanDerWaalsContact OH-CG 3.29Å; Y138-E250 WeakPolarHBondContact OH-CG 3.49Å; Y138-E250 PolarHBondContact OH-OE1 2.84Å; L139-E250 HydrophobicContact CD2-CB 4.27Å; L139-E250 HydrophobicContact CD2-CG 3.93Å; R203-E250 WeakPolarHBondContact CD-OE1 3.16Å; R203-E250 IonicContact CZ-OE1 2.83Å; R203-E250 IonicContact NE-OE1 3.22Å; R203-E250 IonicContact NH1-OE1 3.57Å; R203-E250 PolarHBondContact NH1-OE1 2.87Å; R203-E250 IonicContact NH1-OE2 2.83Å; R203-E250 PolarHBondContact NH1-OE2 2.6Å; A246-E250 WeakPolarHBondContact O-CB 3.4Å; A246-E250 PolarHBondContact O-N 3.38Å; L248-E250 VanDerWaalsContact C-N 3.31Å; E250-K252 VanDerWaalsContact C-N 3.27Å; E250-K252 PolarHBondContact O-N 3.48Å; E250-N253 PolarHBondContact O-N 2.59Å; E250-I254 HydrophobicContact CG-CD1 3.96Å; E250-I254 WeakPolarHBondContact O-CD1 3.3Å; E250-I254 VanDerWaalsContact O-CG1 3.29Å; E250-I254 WeakPolarHBondContact O-CG1 3.44Å; E250-I254 PolarHBondContact O-N 3.2Å |
| 251 | A | 71.1 | Confident | 75.7 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V238 V247 L248 N255 | V238-A251 HydrophobicContact CG1-CB 3.87Å; V238-A251 HydrophobicContact CG2-CB 4.1Å; V247-A251 WeakPolarHBondContact O-CB 3.37Å; V247-A251 PolarHBondContact O-N 3.26Å; L248-A251 PolarHBondContact O-N 3.06Å; A251-N255 WeakPolarHBondContact O-CB 3.45Å; A251-N255 PolarHBondContact O-N 3.01Å; A251-N255 PolarHBondContact O-ND2 3.19Å; A251-N255 VanDerWaalsContact O-ND2 3.07Å |
| 252 | K | 74.3 | Confident | 76.9 | Confident | 108 Ų | 108 | 48 Ų | 48 | 47% | 0.47 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 172.2 | -75 | 175.3 | -166.7 | 154.6 | 0 | 111.9 | L248 D249 E250 N255 K256 | L248-K252 WeakPolarHBondContact O-CG 3.39Å; L248-K252 PolarHBondContact O-N 3.35Å; D249-K252 IonicContact OD1-NZ 3.96Å; D249-K252 PolarHBondContact OD1-NZ 3.05Å; E250-K252 VanDerWaalsContact C-N 3.27Å; E250-K252 PolarHBondContact O-N 3.48Å; K252-N255 CarbonylContact O-C 3.49Å; K252-N255 PolarHBondContact O-N 2.9Å; K252-K256 PolarHBondContact O-N 3.07Å |
| 253 | N | 73.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | -178.9 | -81.4 | -52.3 | 0 | 0 | 0 | 112.8 | L139 D249 E250 K256 | L139-N253 HydrophobicContact CD2-CB 3.62Å; D249-N253 PolarHBondContact O-N 2.9Å; D249-N253 VanDerWaalsContact O-N 3.11Å; D249-N253 PolarHBondContact O-ND2 2.73Å; E250-N253 PolarHBondContact O-N 2.59Å; N253-K256 WeakPolarHBondContact O-CB 3.48Å; N253-K256 PolarHBondContact O-N 3.48Å |
| 254 | I | 73.8 | Confident | 79.5 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 174.2 | -62.4 | 161.2 | 0 | 0 | 0 | 109.5 | Y138 R203 A233 E250 K256 S257 L258 | Y138-I254 HydrophobicContact CE2-CD1 4.41Å; R203-I254 HydrophobicContact CB-CD1 3.38Å; R203-I254 HydrophobicContact CG-CD1 3.7Å; R203-I254 WeakPolarHBondContact O-CD1 3.36Å; R203-I254 WeakPolarHBondContact O-CG1 3.22Å; A233-I254 HydrophobicContact CB-CG2 3.53Å; E250-I254 HydrophobicContact CG-CD1 3.96Å; E250-I254 WeakPolarHBondContact O-CD1 3.3Å; E250-I254 VanDerWaalsContact O-CG1 3.29Å; E250-I254 WeakPolarHBondContact O-CG1 3.44Å; E250-I254 PolarHBondContact O-N 3.2Å; I254-K256 PolarHBondContact O-N 2.76Å; I254-S257 PolarHBondContact O-N 3.03Å; I254-S257 PolarHBondContact O-OG 2.96Å; I254-L258 PolarHBondContact O-N 3.15Å |
| 255 | N | 76.6 | Confident | 80.6 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -23.5 | 175.5 | -85 | -60.3 | 0 | 0 | 0 | 113.5 | V238 A251 K252 S257 L258 S259 | V238-N255 HydrophobicContact CG2-CB 4.4Å; V238-N255 WeakPolarHBondContact CG2-ND2 3.24Å; A251-N255 WeakPolarHBondContact O-CB 3.45Å; A251-N255 PolarHBondContact O-N 3.01Å; A251-N255 PolarHBondContact O-ND2 3.19Å; A251-N255 VanDerWaalsContact O-ND2 3.07Å; K252-N255 CarbonylContact O-C 3.49Å; K252-N255 PolarHBondContact O-N 2.9Å; N255-S257 PolarHBondContact O-N 3.36Å; N255-L258 PolarHBondContact O-N 2.84Å; N255-S259 WeakPolarHBondContact O-CB 3.35Å; N255-S259 PolarHBondContact O-N 2.87Å; N255-S259 PolarHBondContact O-OG 2.98Å |
| 256 | K | 84.3 | Confident | 81.2 | Confident | 107 Ų | 107 | 38.7 Ų | 38.7 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 173.8 | -173.2 | -173.2 | 176.1 | -171.3 | 0 | 111.3 | K252 N253 I254 S259 A260 | K252-K256 PolarHBondContact O-N 3.07Å; N253-K256 WeakPolarHBondContact O-CB 3.48Å; N253-K256 PolarHBondContact O-N 3.48Å; I254-K256 PolarHBondContact O-N 2.76Å; K256-S259 PolarHBondContact O-N 3.41Å; K256-A260 WeakPolarHBondContact O-CB 3.42Å; K256-A260 PolarHBondContact O-N 3.45Å |
| 257 | S | 86.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | H205 I254 N255 A260 L261 M283 | H205-S257 PolarHBondContact NE2-OG 2.88Å; I254-S257 PolarHBondContact O-N 3.03Å; I254-S257 PolarHBondContact O-OG 2.96Å; N255-S257 PolarHBondContact O-N 3.36Å; S257-A260 PolarHBondContact O-N 2.84Å; S257-L261 PolarHBondContact O-N 2.79Å; S257-M283 WeakPolarHBondContact O-CE 3.49Å |
| 258 | L | 87.8 | Confident | 83.3 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.4 | -33.3 | 174.7 | -67.5 | 179.9 | 0 | 0 | 0 | 112.9 | Y84 L232 G234 I254 N255 L261 G262 | Y84-L258 HydrophobicContact CD2-CD2 4.45Å; Y84-L258 HydrophobicContact CE2-CD2 4.09Å; L232-L258 HydrophobicContact CB-CD2 4.32Å; L232-L258 HydrophobicContact CD1-CD2 4.38Å; G234-L258 VanDerWaalsContact O-CD1 3.24Å; G234-L258 WeakPolarHBondContact O-CD1 3.34Å; I254-L258 PolarHBondContact O-N 3.15Å; N255-L258 PolarHBondContact O-N 2.84Å; L258-L261 WeakPolarHBondContact O-CB 3.33Å; L258-L261 PolarHBondContact O-N 2.82Å; L258-G262 PolarHBondContact O-N 3.04Å |
| 259 | S | 88.1 | Confident | 84 | Confident | 65 Ų | 65 | 34.3 Ų | 34.3 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.3 | -43 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | N255 K256 L261 G262 N263 | N255-S259 WeakPolarHBondContact O-CB 3.35Å; N255-S259 PolarHBondContact O-N 2.87Å; N255-S259 PolarHBondContact O-OG 2.98Å; K256-S259 PolarHBondContact O-N 3.41Å; S259-L261 VanDerWaalsContact C-N 3.3Å; S259-L261 PolarHBondContact O-N 3.01Å; S259-G262 CarbonylContact O-C 3.54Å; S259-G262 PolarHBondContact O-N 3.26Å; S259-G262 VanDerWaalsContact O-N 3.13Å; S259-N263 PolarHBondContact O-N 2.88Å |
| 260 | A | 91.6 | Very high | 84.7 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | K256 S257 G262 N263 V264 D280 T284 | K256-A260 WeakPolarHBondContact O-CB 3.42Å; K256-A260 PolarHBondContact O-N 3.45Å; S257-A260 PolarHBondContact O-N 2.84Å; A260-G262 VanDerWaalsContact C-N 3.34Å; A260-G262 PolarHBondContact O-N 2.94Å; A260-N263 WeakPolarHBondContact O-CB 3.38Å; A260-N263 PolarHBondContact O-N 2.9Å; A260-V264 WeakPolarHBondContact O-CG2 3.44Å; A260-V264 PolarHBondContact O-N 2.93Å; A260-D280 HydrophobicContact CB-CB 3.73Å; A260-T284 HydrophobicContact CB-CG2 4.15Å |
| 261 | L | 91.8 | Very high | 84.9 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 173.7 | -174.8 | 65.9 | 0 | 0 | 0 | 112 | L232 S257 L258 S259 N263 V264 I265 M283 T284 L291 F319 | L232-L261 HydrophobicContact CD1-CD2 3.87Å; S257-L261 PolarHBondContact O-N 2.79Å; L258-L261 WeakPolarHBondContact O-CB 3.33Å; L258-L261 PolarHBondContact O-N 2.82Å; S259-L261 VanDerWaalsContact C-N 3.3Å; S259-L261 PolarHBondContact O-N 3.01Å; L261-N263 VanDerWaalsContact C-N 3.33Å; L261-N263 PolarHBondContact O-N 3.3Å; L261-V264 PolarHBondContact O-N 2.99Å; L261-I265 HydrophobicContact CD1-CD1 4.34Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CB 3.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 2.99Å; L261-M283 HydrophobicContact CB-CE 3.75Å; L261-M283 HydrophobicContact CD2-CE 4.04Å; L261-M283 HydrophobicContact CG-CE 4.33Å; L261-T284 HydrophobicContact CB-CG2 4.15Å; L261-T284 HydrophobicContact CD1-CG2 4.23Å; L261-L291 HydrophobicContact CD1-CD1 3.49Å; L261-L291 VanDerWaalsContact CD1-CD1 3.49Å; L261-F319 HydrophobicContact CD2-CE2 4.49Å; L261-F319 HydrophobicContact CD2-CZ 4.16Å |
| 262 | G | 90.6 | Very high | 84.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L258 S259 A260 S266 | L258-G262 PolarHBondContact O-N 3.04Å; S259-G262 CarbonylContact O-C 3.54Å; S259-G262 PolarHBondContact O-N 3.26Å; S259-G262 VanDerWaalsContact O-N 3.13Å; A260-G262 VanDerWaalsContact C-N 3.34Å; A260-G262 PolarHBondContact O-N 2.94Å; G262-S266 WeakPolarHBondContact O-CB 3.41Å; G262-S266 PolarHBondContact O-N 2.84Å; G262-S266 PolarHBondContact O-OG 3.45Å |
| 263 | N | 91.4 | Very high | 84.8 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 175.9 | -71.4 | -15.6 | 0 | 0 | 0 | 111.7 | S259 A260 L261 S266 A267 P277 | S259-N263 PolarHBondContact O-N 2.88Å; A260-N263 WeakPolarHBondContact O-CB 3.38Å; A260-N263 PolarHBondContact O-N 2.9Å; L261-N263 VanDerWaalsContact C-N 3.33Å; L261-N263 PolarHBondContact O-N 3.3Å; N263-S266 PolarHBondContact O-N 2.91Å; N263-A267 WeakPolarHBondContact O-CB 3.4Å; N263-A267 PolarHBondContact O-N 2.89Å; N263-P277 HydrophobicContact CB-CG 4.28Å |
| 264 | V | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 174.2 | 164.9 | 0 | 0 | 0 | 0 | 110.5 | A260 L261 S266 A267 L268 V276 P277 Y278 T284 L291 | A260-V264 WeakPolarHBondContact O-CG2 3.44Å; A260-V264 PolarHBondContact O-N 2.93Å; L261-V264 PolarHBondContact O-N 2.99Å; V264-S266 VanDerWaalsContact C-N 3.33Å; V264-S266 PolarHBondContact O-N 2.79Å; V264-A267 PolarHBondContact O-N 2.93Å; V264-L268 HydrophobicContact CG1-CD1 3.83Å; V264-L268 WeakPolarHBondContact O-CB 3.33Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 3.35Å; V264-V276 HydrophobicContact CB-CG1 4.27Å; V264-V276 HydrophobicContact CG1-CG1 3.87Å; V264-V276 HydrophobicContact CG2-CG1 4.2Å; V264-P277 HydrophobicContact CG2-CG 4.29Å; V264-Y278 HydrophobicContact CG1-CD1 3.77Å; V264-Y278 HydrophobicContact CG1-CE1 3.34Å; V264-Y278 HydrophobicContact CG2-CD1 3.98Å; V264-Y278 HydrophobicContact CG2-CE1 4.37Å; V264-T284 HydrophobicContact CG2-CG2 3.93Å; V264-L291 HydrophobicContact CG1-CD1 4.42Å |
| 265 | I | 91 | Very high | 85.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 178.4 | -75.4 | 167.3 | 0 | 0 | 0 | 111.2 | L261 L268 A269 L291 F319 R322 A323 I326 | L261-I265 HydrophobicContact CD1-CD1 4.34Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CB 3.2Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 2.99Å; I265-L268 PolarHBondContact O-N 2.85Å; I265-A269 WeakPolarHBondContact O-CB 3.46Å; I265-A269 PolarHBondContact O-N 2.79Å; I265-L291 HydrophobicContact CG1-CD1 4.31Å; I265-F319 HydrophobicContact CD1-CD2 4.33Å; I265-F319 HydrophobicContact CD1-CE1 4.17Å; I265-F319 HydrophobicContact CD1-CE2 3.34Å; I265-F319 HydrophobicContact CD1-CZ 3.24Å; I265-R322 HydrophobicContact CG2-CB 3.89Å; I265-A323 HydrophobicContact CD1-CB 4.29Å; I265-A323 HydrophobicContact CG2-CB 4.16Å; I265-I326 HydrophobicContact CB-CD1 4.08Å; I265-I326 HydrophobicContact CG1-CD1 3.82Å; I265-I326 HydrophobicContact CG2-CD1 3.99Å |
| 266 | S | 88.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | -179.9 | -56 | 0 | 0 | 0 | 0 | 111.5 | G262 N263 V264 A269 E270 R322 | G262-S266 WeakPolarHBondContact O-CB 3.41Å; G262-S266 PolarHBondContact O-N 2.84Å; G262-S266 PolarHBondContact O-OG 3.45Å; N263-S266 PolarHBondContact O-N 2.91Å; V264-S266 VanDerWaalsContact C-N 3.33Å; V264-S266 PolarHBondContact O-N 2.79Å; S266-A269 PolarHBondContact O-N 3.17Å; S266-E270 WeakPolarHBondContact O-CB 3.49Å; S266-E270 VanDerWaalsContact O-CG 3.25Å; S266-E270 WeakPolarHBondContact O-CG 3.34Å; S266-E270 PolarHBondContact O-N 2.99Å; S266-R322 PolarHBondContact OG-NH1 2.82Å |
| 267 | A | 91.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | N263 V264 G271 K273 V276 | N263-A267 WeakPolarHBondContact O-CB 3.4Å; N263-A267 PolarHBondContact O-N 2.89Å; V264-A267 PolarHBondContact O-N 2.93Å; A267-G271 PolarHBondContact O-N 2.89Å; A267-K273 HydrophobicContact CB-CD 3.95Å; A267-V276 HydrophobicContact CB-CG1 4.4Å |
| 268 | L | 89.9 | Confident | 87.1 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.2 | -73.2 | 169.5 | 0 | 0 | 0 | 112.5 | V264 I265 G271 V276 Y278 L291 I326 | V264-L268 HydrophobicContact CG1-CD1 3.83Å; V264-L268 WeakPolarHBondContact O-CB 3.33Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 3.35Å; I265-L268 PolarHBondContact O-N 2.85Å; L268-G271 PolarHBondContact O-N 3.07Å; L268-V276 HydrophobicContact CD2-CG1 4.36Å; L268-V276 HydrophobicContact CD2-CG2 3.8Å; L268-V276 HydrophobicContact CG-CG1 4.05Å; L268-V276 HydrophobicContact CG-CG2 4.22Å; L268-Y278 WeakPolarHBondContact CD1-OH 3.29Å; L268-L291 HydrophobicContact CD1-CB 3.85Å; L268-I326 HydrophobicContact CB-CD1 4.02Å; L268-I326 HydrophobicContact CB-CG1 3.86Å; L268-I326 HydrophobicContact CB-CG2 4.19Å; L268-I326 HydrophobicContact CD1-CD1 4.09Å; L268-I326 HydrophobicContact CD1-CG2 4.12Å |
| 269 | A | 86.2 | Confident | 87.3 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 28% | 0.281 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I265 S266 T325 | I265-A269 WeakPolarHBondContact O-CB 3.46Å; I265-A269 PolarHBondContact O-N 2.79Å; S266-A269 PolarHBondContact O-N 3.17Å; A269-T325 WeakPolarHBondContact CB-OG1 3.44Å |
| 270 | E | 85.6 | Confident | 87.5 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.3 | -32.5 | 176.1 | -75.4 | 166.8 | -169.1 | 0 | 0 | 112 | S266 T272 K273 | S266-E270 WeakPolarHBondContact O-CB 3.49Å; S266-E270 VanDerWaalsContact O-CG 3.25Å; S266-E270 WeakPolarHBondContact O-CG 3.34Å; S266-E270 PolarHBondContact O-N 2.99Å; E270-T272 PolarHBondContact O-N 3.12Å; E270-K273 WeakPolarHBondContact OE2-CE 3.39Å; E270-K273 IonicContact OE2-NZ 3.35Å; E270-K273 PolarHBondContact OE2-NZ 2.91Å |
| 271 | G | 76.3 | Confident | 87.5 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | trans | 65.5 | -2.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A267 L268 | A267-G271 PolarHBondContact O-N 2.89Å; L268-G271 PolarHBondContact O-N 3.07Å | ||
| 272 | T | 71.4 | Confident | 87.6 | Confident | 115 Ų | 115 | 60 Ų | 60 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | trans | -91.5 | -16.9 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | E270 | E270-T272 PolarHBondContact O-N 3.12Š| ||
| 273 | K | 70.8 | Confident | 87.6 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | trans | -90.1 | 119.5 | -176.9 | -69.3 | 177.3 | 177.8 | 141.3 | 0 | 110.4 | A267 E270 H275 | A267-K273 HydrophobicContact CB-CD 3.95Å; E270-K273 WeakPolarHBondContact OE2-CE 3.39Å; E270-K273 IonicContact OE2-NZ 3.35Å; E270-K273 PolarHBondContact OE2-NZ 2.91Å; K273-H275 PolarHBondContact O-N 3.04Å | ||
| 274 | T | 77.8 | Confident | 87.7 | Confident | 158 Ų | 158 | 55 Ų | 55 | 97% | 0.969 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -64.9 | -27.3 | 175.1 | -30.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 275 | H | 87.8 | Confident | 87.6 | Confident | 137 Ų | 137 | 58.1 Ų | 58.1 | 63% | 0.634 | 31% | 0.311 | S | S | * | . | trans | -116.8 | 123.5 | -179.9 | 179.6 | -90.6 | 0 | 0 | 0 | 111 | K273 | K273-H275 PolarHBondContact O-N 3.04Š| ||
| 276 | V | 91.3 | Very high | 87.7 | Confident | 26 Ų | 26 | 58.1 Ų | 58.1 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | trans | -100.4 | 128 | 175 | -177.6 | 0 | 0 | 0 | 0 | 109 | V264 A267 L268 Y278 | V264-V276 HydrophobicContact CB-CG1 4.27Å; V264-V276 HydrophobicContact CG1-CG1 3.87Å; V264-V276 HydrophobicContact CG2-CG1 4.2Å; A267-V276 HydrophobicContact CB-CG1 4.4Å; L268-V276 HydrophobicContact CD2-CG1 4.36Å; L268-V276 HydrophobicContact CD2-CG2 3.8Å; L268-V276 HydrophobicContact CG-CG1 4.05Å; L268-V276 HydrophobicContact CG-CG2 4.22Å; V276-Y278 HydrophobicContact CB-CD2 3.95Å; V276-Y278 HydrophobicContact CB-CE2 3.46Å; V276-Y278 VanDerWaalsContact CB-CE2 3.46Å; V276-Y278 HydrophobicContact CG1-CD1 4.37Å; V276-Y278 HydrophobicContact CG1-CD2 3.91Å; V276-Y278 HydrophobicContact CG1-CE1 3.92Å; V276-Y278 HydrophobicContact CG1-CE2 3.43Å; V276-Y278 VanDerWaalsContact CG1-CE2 3.43Å; V276-Y278 HydrophobicContact CG1-CG 4.34Å; V276-Y278 VanDerWaalsContact CG1-CZ 3.4Å; V276-Y278 HydrophobicContact CG2-CE2 4.33Å; V276-Y278 WeakPolarHBondContact O-CD2 3.48Å; V276-Y278 PolarHBondContact O-N 3.08Å | ||
| 277 | P | 93.3 | Very high | 87.6 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | trans | -81.1 | 54.8 | -169 | 35.1 | -38.6 | 0 | 0 | 0 | 113.4 | N263 V264 R279 D280 | N263-P277 HydrophobicContact CB-CG 4.28Å; V264-P277 HydrophobicContact CG2-CG 4.29Å; P277-R279 PolarHBondContact O-N 2.87Å; P277-R279 VanDerWaalsContact O-N 3.11Å; P277-D280 PolarHBondContact O-N 2.88Å | ||
| 278 | Y | 93.2 | Very high | 87.5 | Confident | 24 Ų | 24 | 60 Ų | 60 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.4 | 178.2 | -63.7 | -72.9 | 0 | 0 | 0 | 113.1 | V264 L268 V276 D280 T284 R285 Q288 L291 | V264-Y278 HydrophobicContact CG1-CD1 3.77Å; V264-Y278 HydrophobicContact CG1-CE1 3.34Å; V264-Y278 HydrophobicContact CG2-CD1 3.98Å; V264-Y278 HydrophobicContact CG2-CE1 4.37Å; L268-Y278 WeakPolarHBondContact CD1-OH 3.29Å; V276-Y278 HydrophobicContact CB-CD2 3.95Å; V276-Y278 HydrophobicContact CB-CE2 3.46Å; V276-Y278 VanDerWaalsContact CB-CE2 3.46Å; V276-Y278 HydrophobicContact CG1-CD1 4.37Å; V276-Y278 HydrophobicContact CG1-CD2 3.91Å; V276-Y278 HydrophobicContact CG1-CE1 3.92Å; V276-Y278 HydrophobicContact CG1-CE2 3.43Å; V276-Y278 VanDerWaalsContact CG1-CE2 3.43Å; V276-Y278 HydrophobicContact CG1-CG 4.34Å; V276-Y278 VanDerWaalsContact CG1-CZ 3.4Å; V276-Y278 HydrophobicContact CG2-CE2 4.33Å; V276-Y278 WeakPolarHBondContact O-CD2 3.48Å; V276-Y278 PolarHBondContact O-N 3.08Å; Y278-D280 VanDerWaalsContact C-N 3.28Å; Y278-D280 PolarHBondContact O-N 3.21Å; Y278-T284 WeakPolarHBondContact CD1-O 3.39Å; Y278-T284 CarbonylContact O-C 3.56Å; Y278-T284 WeakPolarHBondContact O-CB 3.21Å; Y278-T284 PolarHBondContact O-OG1 2.95Å; Y278-R285 WeakPolarHBondContact O-CG 3.37Å; Y278-R285 PolarHBondContact O-N 3.25Å; Y278-Q288 HydrophobicContact CD1-CB 3.89Å; Y278-Q288 HydrophobicContact CD1-CG 3.94Å; Y278-Q288 HydrophobicContact CD2-CB 4.45Å; Y278-Q288 HydrophobicContact CD2-CG 3.67Å; Y278-Q288 HydrophobicContact CE1-CB 4.3Å; Y278-Q288 HydrophobicContact CE1-CG 4.14Å; Y278-Q288 HydrophobicContact CE2-CG 3.85Å; Y278-Q288 HydrophobicContact CG-CB 3.99Å; Y278-Q288 HydrophobicContact CG-CG 3.71Å; Y278-L291 PolarHBondContact OH-O 3.12Å |
| 279 | R | 92.3 | Very high | 87.3 | Confident | 178 Ų | 178 | 60 Ų | 60 | 67% | 0.672 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -75.2 | -10.4 | -176.9 | -69.9 | -173.8 | 171.6 | -179.5 | -2.2 | 114.8 | P277 S281 R285 | P277-R279 PolarHBondContact O-N 2.87Å; P277-R279 VanDerWaalsContact O-N 3.11Å; R279-S281 PolarHBondContact O-N 2.87Å; R279-R285 HydrophobicContact CG-CG 4.43Å |
| 280 | D | 91.6 | Very high | 87.3 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -64.5 | -20.1 | -177.6 | -73 | 7.5 | 0 | 0 | 0 | 113.7 | A260 P277 Y278 | A260-D280 HydrophobicContact CB-CB 3.73Å; P277-D280 PolarHBondContact O-N 2.88Å; Y278-D280 VanDerWaalsContact C-N 3.28Å; Y278-D280 PolarHBondContact O-N 3.21Å |
| 281 | S | 92.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -149 | 155.5 | 172.9 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | R279 M283 T284 R285 | R279-S281 PolarHBondContact O-N 2.87Å; S281-M283 PolarHBondContact O-N 3.4Å; S281-T284 PolarHBondContact N-OG1 3.46Å; S281-T284 PolarHBondContact O-N 3.42Å; S281-T284 PolarHBondContact O-OG1 3.47Å; S281-T284 PolarHBondContact OG-N 3.2Å; S281-T284 PolarHBondContact OG-OG1 3.23Å; S281-R285 WeakPolarHBondContact O-CG 3.19Å; S281-R285 PolarHBondContact O-N 2.92Å |
| 282 | K | 92.6 | Very high | 87.7 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 173.5 | -68 | -169.9 | -171.4 | 174.9 | 0 | 112 | D140 I142 N152 L153 V155 R285 I286 | D140-K282 WeakPolarHBondContact O-CD 3.4Å; D140-K282 WeakPolarHBondContact O-CE 3.4Å; D140-K282 PolarHBondContact O-NZ 2.97Å; D140-K282 PolarHBondContact OD1-N 3.06Å; I142-K282 HydrophobicContact CD1-CB 4.23Å; I142-K282 HydrophobicContact CD1-CD 3.77Å; I142-K282 HydrophobicContact CG1-CB 4.43Å; I142-K282 HydrophobicContact CG1-CD 3.85Å; N152-K282 PolarHBondContact OD1-NZ 3.29Å; L153-K282 PolarHBondContact O-NZ 3.22Å; V155-K282 HydrophobicContact CG2-CB 4.04Å; V155-K282 HydrophobicContact CG2-CD 4.4Å; V155-K282 HydrophobicContact CG2-CG 4.27Å; K282-R285 PolarHBondContact O-N 2.98Å; K282-I286 WeakPolarHBondContact O-CG1 3.32Å; K282-I286 PolarHBondContact O-N 3.45Å |
| 283 | M | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -51.7 | 178.3 | -176.2 | -178.2 | 75 | 0 | 0 | 111.5 | I137 H205 L232 S257 L261 S281 R285 I286 L287 | I137-M283 HydrophobicContact CD1-CB 3.76Å; I137-M283 HydrophobicContact CD1-CG 4.19Å; H205-M283 HydrophobicContact CB-SD 4.42Å; L232-M283 HydrophobicContact CD2-CE 4.44Å; L232-M283 HydrophobicContact CD2-SD 3.57Å; L232-M283 VanDerWaalsContact CD2-SD 3.57Å; S257-M283 WeakPolarHBondContact O-CE 3.49Å; L261-M283 HydrophobicContact CB-CE 3.75Å; L261-M283 HydrophobicContact CD2-CE 4.04Å; L261-M283 HydrophobicContact CG-CE 4.33Å; S281-M283 PolarHBondContact O-N 3.4Å; M283-R285 VanDerWaalsContact C-N 3.26Å; M283-R285 PolarHBondContact O-N 3.23Å; M283-I286 PolarHBondContact O-N 2.86Å; M283-L287 HydrophobicContact CG-CD1 3.69Å; M283-L287 WeakPolarHBondContact O-CB 3.46Å; M283-L287 VanDerWaalsContact O-CG 3.26Å; M283-L287 WeakPolarHBondContact O-CG 3.5Å; M283-L287 PolarHBondContact O-N 3.41Å |
| 284 | T | 92.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -27 | 178.5 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | A260 L261 V264 Y278 S281 Q288 | A260-T284 HydrophobicContact CB-CG2 4.15Å; L261-T284 HydrophobicContact CB-CG2 4.15Å; L261-T284 HydrophobicContact CD1-CG2 4.23Å; V264-T284 HydrophobicContact CG2-CG2 3.93Å; Y278-T284 WeakPolarHBondContact CD1-O 3.39Å; Y278-T284 CarbonylContact O-C 3.56Å; Y278-T284 WeakPolarHBondContact O-CB 3.21Å; Y278-T284 PolarHBondContact O-OG1 2.95Å; S281-T284 PolarHBondContact N-OG1 3.46Å; S281-T284 PolarHBondContact O-N 3.42Å; S281-T284 PolarHBondContact O-OG1 3.47Å; S281-T284 PolarHBondContact OG-N 3.2Å; S281-T284 PolarHBondContact OG-OG1 3.23Å; T284-Q288 PolarHBondContact O-N 3.15Å; T284-Q288 VanDerWaalsContact O-N 3.12Å |
| 285 | R | 93.1 | Very high | 89.9 | Confident | 64 Ų | 64 | 35.8 Ų | 35.8 | 24% | 0.242 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | 171.2 | -68.2 | -178.6 | 66.5 | -162.4 | -8.4 | 112.2 | V155 P163 Y278 R279 S281 K282 M283 L287 Q288 | V155-R285 HydrophobicContact CG1-CB 4.09Å; V155-R285 PolarHBondContact O-NH2 2.86Å; P163-R285 WeakPolarHBondContact CB-O 3.41Å; P163-R285 WeakPolarHBondContact CG-O 3.45Å; Y278-R285 WeakPolarHBondContact O-CG 3.37Å; Y278-R285 PolarHBondContact O-N 3.25Å; R279-R285 HydrophobicContact CG-CG 4.43Å; S281-R285 WeakPolarHBondContact O-CG 3.19Å; S281-R285 PolarHBondContact O-N 2.92Å; K282-R285 PolarHBondContact O-N 2.98Å; M283-R285 VanDerWaalsContact C-N 3.26Å; M283-R285 PolarHBondContact O-N 3.23Å; R285-L287 VanDerWaalsContact C-N 3.3Å; R285-L287 PolarHBondContact O-N 3.37Å; R285-Q288 WeakPolarHBondContact O-CB 3.39Å; R285-Q288 PolarHBondContact O-N 2.76Å |
| 286 | I | 91.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177.8 | -68 | 162 | 0 | 0 | 0 | 110.5 | F135 I137 I142 V155 V165 Y228 K282 M283 Q288 | F135-I286 HydrophobicContact CE2-CD1 4.01Å; F135-I286 HydrophobicContact CZ-CD1 4.5Å; F135-I286 HydrophobicContact CZ-CG2 4.49Å; I137-I286 HydrophobicContact CD1-CD1 4Å; I142-I286 HydrophobicContact CD1-CD1 3.77Å; I142-I286 HydrophobicContact CG1-CD1 4.5Å; V155-I286 HydrophobicContact CG1-CG1 4.07Å; V155-I286 HydrophobicContact CG2-CD1 3.93Å; V155-I286 HydrophobicContact CG2-CG1 3.74Å; V165-I286 HydrophobicContact CG2-CD1 3.74Å; V165-I286 HydrophobicContact CG2-CG1 4.08Å; Y228-I286 HydrophobicContact CE1-CG2 4.02Å; K282-I286 WeakPolarHBondContact O-CG1 3.32Å; K282-I286 PolarHBondContact O-N 3.45Å; M283-I286 PolarHBondContact O-N 2.86Å; I286-Q288 VanDerWaalsContact C-N 3.29Å; I286-Q288 PolarHBondContact O-N 3.07Å |
| 287 | L | 86.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11.1 | -176.5 | -58.2 | 168.6 | 0 | 0 | 0 | 113.6 | F82 V230 M283 R285 D289 S290 L291 | F82-L287 HydrophobicContact CE1-CD1 3.51Å; F82-L287 HydrophobicContact CE1-CD2 3.9Å; F82-L287 HydrophobicContact CE1-CG 4.24Å; F82-L287 HydrophobicContact CZ-CB 4.42Å; F82-L287 HydrophobicContact CZ-CD1 3.92Å; F82-L287 HydrophobicContact CZ-CD2 3.94Å; F82-L287 HydrophobicContact CZ-CG 4.31Å; V230-L287 HydrophobicContact CG2-CD2 3.91Å; M283-L287 HydrophobicContact CG-CD1 3.69Å; M283-L287 WeakPolarHBondContact O-CB 3.46Å; M283-L287 VanDerWaalsContact O-CG 3.26Å; M283-L287 WeakPolarHBondContact O-CG 3.5Å; M283-L287 PolarHBondContact O-N 3.41Å; R285-L287 VanDerWaalsContact C-N 3.3Å; R285-L287 PolarHBondContact O-N 3.37Å; L287-D289 PolarHBondContact O-N 2.89Å; L287-S290 WeakPolarHBondContact O-CA 3.19Å; L287-S290 VanDerWaalsContact O-CB 3.26Å; L287-S290 WeakPolarHBondContact O-CB 3.38Å; L287-S290 PolarHBondContact O-N 2.9Å; L287-L291 PolarHBondContact O-N 3.03Å |
| 288 | Q | 90.1 | Very high | 90.7 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 29% | 0.29 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.1 | -178.5 | 175.4 | 175 | -21.3 | 0 | 0 | 111.7 | P163 Y278 T284 R285 I286 S290 L291 | P163-Q288 HydrophobicContact CG-CB 4.37Å; Y278-Q288 HydrophobicContact CD1-CB 3.89Å; Y278-Q288 HydrophobicContact CD1-CG 3.94Å; Y278-Q288 HydrophobicContact CD2-CB 4.45Å; Y278-Q288 HydrophobicContact CD2-CG 3.67Å; Y278-Q288 HydrophobicContact CE1-CB 4.3Å; Y278-Q288 HydrophobicContact CE1-CG 4.14Å; Y278-Q288 HydrophobicContact CE2-CG 3.85Å; Y278-Q288 HydrophobicContact CG-CB 3.99Å; Y278-Q288 HydrophobicContact CG-CG 3.71Å; T284-Q288 PolarHBondContact O-N 3.15Å; T284-Q288 VanDerWaalsContact O-N 3.12Å; R285-Q288 WeakPolarHBondContact O-CB 3.39Å; R285-Q288 PolarHBondContact O-N 2.76Å; I286-Q288 VanDerWaalsContact C-N 3.29Å; I286-Q288 PolarHBondContact O-N 3.07Å; Q288-S290 VanDerWaalsContact C-N 3.3Å; Q288-L291 VanDerWaalsContact O-O 3.09Å |
| 289 | D | 85.7 | Confident | 90.9 | Very high | 33 Ų | 33 | 28.7 Ų | 28.7 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -26.2 | 176.6 | -156.2 | 35.8 | 0 | 0 | 0 | 112 | N78 L287 G293 N294 C295 | N78-D289 PolarHBondContact ND2-OD2 2.75Å; L287-D289 PolarHBondContact O-N 2.89Å; D289-G293 CarbonylContact O-C 3.51Å; D289-G293 VanDerWaalsContact O-C 3.26Å; D289-G293 VanDerWaalsContact O-CA 3.26Å; D289-G293 WeakPolarHBondContact O-CA 3.44Å; D289-N294 PolarHBondContact O-N 2.92Å; D289-N294 WeakPolarHBondContact OD1-CA 3.31Å; D289-N294 WeakPolarHBondContact OD1-CB 3.42Å; D289-N294 PolarHBondContact OD1-N 2.95Å; D289-C295 WeakPolarHBondContact O-CB 3.44Å |
| 290 | S | 86.3 | Confident | 91.2 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -27.8 | -178.7 | -49.7 | 0 | 0 | 0 | 0 | 113.9 | T80 L287 Q288 T297 N328 | T80-S290 VanDerWaalsContact OG1-CB 3.31Å; T80-S290 WeakPolarHBondContact OG1-CB 3.41Å; T80-S290 PolarHBondContact OG1-OG 2.96Å; L287-S290 WeakPolarHBondContact O-CA 3.19Å; L287-S290 VanDerWaalsContact O-CB 3.26Å; L287-S290 WeakPolarHBondContact O-CB 3.38Å; L287-S290 PolarHBondContact O-N 2.9Å; Q288-S290 VanDerWaalsContact C-N 3.3Å; S290-T297 WeakPolarHBondContact O-CB 3.45Å; S290-T297 PolarHBondContact O-OG1 3.27Å; S290-N328 PolarHBondContact O-ND2 2.81Å |
| 291 | L | 86.1 | Confident | 91.5 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 112.1 | -175.3 | -63.1 | 171.6 | 0 | 0 | 0 | 108.3 | F82 L261 V264 I265 L268 Y278 L287 Q288 G293 T297 | F82-L291 HydrophobicContact CE2-CD2 4.31Å; L261-L291 HydrophobicContact CD1-CD1 3.49Å; L261-L291 VanDerWaalsContact CD1-CD1 3.49Å; V264-L291 HydrophobicContact CG1-CD1 4.42Å; I265-L291 HydrophobicContact CG1-CD1 4.31Å; L268-L291 HydrophobicContact CD1-CB 3.85Å; Y278-L291 PolarHBondContact OH-O 3.12Å; L287-L291 PolarHBondContact O-N 3.03Å; Q288-L291 VanDerWaalsContact O-O 3.09Å; L291-G293 VanDerWaalsContact C-N 3.27Å; L291-G293 PolarHBondContact O-N 3.18Å; L291-T297 HydrophobicContact CD2-CG2 4.28Å |
| 292 | G | 82.4 | Confident | 91.8 | Very high | 31 Ų | 31 | 16.4 Ų | 16.4 | 32% | 0.32 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 10.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N328 | G292-N328 WeakPolarHBondContact CA-OD1 3.35Å; G292-N328 PolarHBondContact N-OD1 2.71Å |
| 293 | G | 86.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 16% | 0.155 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -120.1 | -156.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D289 L291 C295 N328 T329 | D289-G293 CarbonylContact O-C 3.51Å; D289-G293 VanDerWaalsContact O-C 3.26Å; D289-G293 VanDerWaalsContact O-CA 3.26Å; D289-G293 WeakPolarHBondContact O-CA 3.44Å; L291-G293 VanDerWaalsContact C-N 3.27Å; L291-G293 PolarHBondContact O-N 3.18Å; G293-C295 PolarHBondContact O-N 3.36Å; G293-N328 WeakPolarHBondContact O-CB 3.2Å; G293-T329 PolarHBondContact O-N 3.44Å |
| 294 | N | 89.3 | Confident | 92.3 | Very high | 28 Ų | 28 | 14.7 Ų | 14.7 | 15% | 0.15 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -88.2 | 69.9 | 179.3 | 179 | 20.3 | 0 | 0 | 0 | 111.3 | N78 D289 T329 V330 C331 N333 | N78-N294 WeakPolarHBondContact CB-O 3.39Å; N78-N294 PolarHBondContact ND2-O 2.82Å; D289-N294 PolarHBondContact O-N 2.92Å; D289-N294 WeakPolarHBondContact OD1-CA 3.31Å; D289-N294 WeakPolarHBondContact OD1-CB 3.42Å; D289-N294 PolarHBondContact OD1-N 2.95Å; N294-T329 VanDerWaalsContact CA-O 3.29Å; N294-T329 WeakPolarHBondContact CA-O 3.4Å; N294-V330 WeakPolarHBondContact OD1-CA 3.45Å; N294-C331 PolarHBondContact ND2-O 2.85Å; N294-C331 PolarHBondContact OD1-N 2.99Å; N294-C331 PolarHBondContact OD1-O 2.89Å; N294-C331 VanDerWaalsContact OD1-O 3.05Å; N294-N333 PolarHBondContact ND2-OD1 2.78Å |
| 295 | C | 91.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | trans | -154.7 | 142.8 | -180 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | N78 G79 T80 D289 G293 N328 V330 | N78-C295 HydrophobicContact CB-CB 4.24Å; G79-C295 VanDerWaalsContact CA-SG 3.54Å; T80-C295 PolarHBondContact N-SG 2.95Å; T80-C295 PolarHBondContact OG1-SG 3.25Å; D289-C295 WeakPolarHBondContact O-CB 3.44Å; G293-C295 PolarHBondContact O-N 3.36Å; C295-N328 WeakPolarHBondContact O-CB 3.19Å; C295-N328 PolarHBondContact O-ND2 2.94Å; C295-V330 VanDerWaalsContact C-CG1 3.49Å; C295-V330 WeakPolarHBondContact O-CG1 3.45Å | ||
| 296 | R | 94.8 | Very high | 92.7 | Very high | 52 Ų | 52 | 11.6 Ų | 11.6 | 20% | 0.196 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 122 | 166.1 | -64.1 | -174 | -173.3 | -87.1 | 5.5 | 109.3 | I69 D72 N78 G79 T80 V330 | I69-R296 HydrophobicContact CG1-CB 4.43Å; D72-R296 VanDerWaalsContact CB-CD 3.46Å; D72-R296 IonicContact OD1-CZ 3.74Å; D72-R296 IonicContact OD1-NE 3.33Å; D72-R296 WeakPolarHBondContact OD2-CD 3.14Å; D72-R296 IonicContact OD2-CZ 3.99Å; D72-R296 IonicContact OD2-NE 3.54Å; D72-R296 PolarHBondContact OD2-NE 3.37Å; N78-R296 PolarHBondContact O-N 2.99Å; G79-R296 CarbonylContact C-O 3.41Å; G79-R296 VanDerWaalsContact CA-O 3.32Å; G79-R296 WeakPolarHBondContact CA-O 3.46Å; T80-R296 PolarHBondContact N-O 3.09Å; R296-V330 HydrophobicContact CG-CG1 3.98Å |
| 297 | T | 96.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.6 | -168.2 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | V9 K10 T80 F82 S290 L291 I299 N328 | V9-T297 HydrophobicContact CG1-CG2 4.02Å; V9-T297 HydrophobicContact CG2-CG2 4.45Å; K10-T297 PolarHBondContact N-O 3.45Å; T80-T297 WeakPolarHBondContact O-CA 3.49Å; F82-T297 HydrophobicContact CD2-CG2 3.82Å; F82-T297 HydrophobicContact CE2-CG2 3.57Å; S290-T297 WeakPolarHBondContact O-CB 3.45Å; S290-T297 PolarHBondContact O-OG1 3.27Å; L291-T297 HydrophobicContact CD2-CG2 4.28Å; T297-I299 HydrophobicContact CG2-CG1 4.36Å; T297-N328 PolarHBondContact OG1-ND2 3.13Å |
| 298 | T | 97.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 2% | 0.018 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.2 | 169.7 | -65.4 | 0 | 0 | 0 | 0 | 109.3 | K10 M12 C65 I69 T80 I81 F82 I300 | K10-T298 CarbonylContact O-C 3.58Å; K10-T298 WeakPolarHBondContact O-CA 3.22Å; M12-T298 HydrophobicContact CG-CG2 3.96Å; C65-T298 HydrophobicContact CB-CG2 4.18Å; C65-T298 PolarHBondContact O-OG1 3.47Å; I69-T298 WeakPolarHBondContact CD1-OG1 3.24Å; T80-T298 PolarHBondContact O-N 2.9Å; I81-T298 WeakPolarHBondContact CA-O 3.48Å; F82-T298 PolarHBondContact N-O 3.06Å; T298-I300 HydrophobicContact CG2-CG1 4.18Å |
| 299 | I | 97.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.1 | 172.3 | -60.9 | 170.6 | 0 | 0 | 0 | 109 | V9 K10 V11 M12 F82 T297 I301 F319 A323 | V9-I299 HydrophobicContact CG1-CD1 3.69Å; V9-I299 HydrophobicContact CG1-CG1 3.99Å; K10-I299 PolarHBondContact O-N 3.27Å; V11-I299 CarbonylContact C-O 3.53Å; V11-I299 WeakPolarHBondContact CA-O 3.2Å; V11-I299 HydrophobicContact CG2-CB 4.4Å; M12-I299 PolarHBondContact N-O 3.03Å; F82-I299 HydrophobicContact CB-CB 4.36Å; F82-I299 HydrophobicContact CB-CG1 4.1Å; F82-I299 HydrophobicContact CB-CG2 4.24Å; F82-I299 HydrophobicContact CD2-CD1 4.45Å; F82-I299 HydrophobicContact CD2-CG1 3.62Å; F82-I299 HydrophobicContact CE2-CG1 4.47Å; F82-I299 HydrophobicContact CG-CG1 4.18Å; T297-I299 HydrophobicContact CG2-CG1 4.36Å; I299-I301 HydrophobicContact CG2-CG2 3.89Å; I299-F319 HydrophobicContact CG2-CE1 4.24Å; I299-A323 HydrophobicContact CD1-CB 3.55Å |
| 300 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 102.5 | 174.4 | -50 | 173.1 | 0 | 0 | 0 | 108.3 | M12 R14 C65 I81 F82 A83 Y84 T94 I107 T298 | M12-I300 HydrophobicContact CB-CG1 4.45Å; M12-I300 CarbonylContact O-C 3.55Å; M12-I300 WeakPolarHBondContact O-CA 3.47Å; R14-I300 HydrophobicContact CB-CG2 4.13Å; C65-I300 HydrophobicContact CB-CD1 3.75Å; C65-I300 HydrophobicContact CB-CG1 4.21Å; I81-I300 HydrophobicContact CG2-CD1 4.02Å; I81-I300 HydrophobicContact CG2-CG1 4.5Å; F82-I300 WeakPolarHBondContact O-CA 3.38Å; F82-I300 WeakPolarHBondContact O-CB 3.26Å; F82-I300 PolarHBondContact O-N 3.01Å; A83-I300 WeakPolarHBondContact CA-O 3.39Å; Y84-I300 PolarHBondContact N-O 3.47Å; T94-I300 HydrophobicContact CG2-CD1 3.96Å; T94-I300 HydrophobicContact CG2-CG2 4.2Å; I107-I300 HydrophobicContact CD1-CD1 3.22Å; T298-I300 HydrophobicContact CG2-CG1 4.18Å |
| 301 | I | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.4 | 174 | 64.5 | 177.7 | 0 | 0 | 0 | 109.3 | V11 M12 C13 R14 F48 Y84 I299 T316 L317 F319 | V11-I301 HydrophobicContact CG1-CD1 4.27Å; V11-I301 HydrophobicContact CG1-CG1 4.44Å; V11-I301 HydrophobicContact CG1-CG2 4.36Å; M12-I301 WeakPolarHBondContact O-CG1 3.36Å; M12-I301 PolarHBondContact O-N 3.45Å; C13-I301 CarbonylContact C-O 3.59Å; C13-I301 HydrophobicContact CB-CD1 3.96Å; C13-I301 HydrophobicContact CB-CG1 3.78Å; R14-I301 PolarHBondContact N-O 2.9Å; F48-I301 HydrophobicContact CD1-CD1 4.24Å; F48-I301 HydrophobicContact CE1-CD1 3.64Å; F48-I301 HydrophobicContact CE2-CD1 4.25Å; F48-I301 HydrophobicContact CZ-CD1 3.65Å; Y84-I301 HydrophobicContact CD1-CG2 4.32Å; Y84-I301 CarbonylContact O-C 3.58Å; Y84-I301 WeakPolarHBondContact O-CA 3.49Å; I299-I301 HydrophobicContact CG2-CG2 3.89Å; I301-T316 HydrophobicContact CB-CG2 3.72Å; I301-T316 HydrophobicContact CG1-CG2 4.47Å; I301-T316 HydrophobicContact CG2-CG2 4.33Å; I301-L317 HydrophobicContact CD1-CD2 4.13Å; I301-F319 HydrophobicContact CG2-CD1 4.24Å |
| 302 | C | 98.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.6 | -177.5 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | R14 Y84 S89 K91 | R14-C302 CarbonylContact O-C 3.59Å; R14-C302 WeakPolarHBondContact O-CA 3.26Å; Y84-C302 PolarHBondContact O-N 3.41Å; S89-C302 WeakPolarHBondContact CB-O 3.2Å; S89-C302 VanDerWaalsContact OG-CB 3.23Å; S89-C302 WeakPolarHBondContact OG-CB 3.12Å; S89-C302 PolarHBondContact OG-O 2.95Å; K91-C302 HydrophobicContact CG-CB 4.17Å |
| 303 | C | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.5 | -174.1 | -62.6 | 0 | 0 | 0 | 0 | 112.5 | R14 F15 R16 T313 | R14-C303 PolarHBondContact O-N 3.15Å; F15-C303 HydrophobicContact CD1-CB 3.7Å; F15-C303 HydrophobicContact CD2-CB 4.4Å; F15-C303 HydrophobicContact CE1-CB 3.44Å; F15-C303 VanDerWaalsContact CE1-CB 3.44Å; F15-C303 HydrophobicContact CE2-CB 4.19Å; F15-C303 HydrophobicContact CG-CB 4.18Å; F15-C303 HydrophobicContact CZ-CB 3.71Å; R16-C303 PolarHBondContact N-O 2.93Å; C303-T313 HydrophobicContact CB-CG2 3.98Å |
| 304 | S | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -85.2 | 138.9 | 164.9 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | R16 E22 S306 N309 T313 | R16-S304 PolarHBondContact NH2-OG 3.08Å; E22-S304 PolarHBondContact OE1-OG 2.98Å; S304-S306 VanDerWaalsContact C-N 3.25Å; S304-S306 PolarHBondContact O-N 3.29Å; S304-S306 WeakPolarHBondContact OG-CB 3.36Å; S304-S306 PolarHBondContact OG-N 2.8Å; S304-S306 VanDerWaalsContact OG-N 3.14Å; S304-N309 WeakPolarHBondContact CB-ND2 3.32Å; S304-N309 PolarHBondContact OG-ND2 3.09Å; S304-N309 VanDerWaalsContact OG-ND2 3.13Å; S304-T313 PolarHBondContact O-OG1 2.87Å | ||
| 305 | P | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -82.6 | 0.7 | 174.7 | 36.4 | -38 | 0 | 0 | 0 | 113.4 | F15 R16 L18 Y29 I30 P31 | F15-P305 HydrophobicContact CD1-CB 4.3Å; R16-P305 WeakPolarHBondContact O-CD 3.4Å; R16-P305 VanDerWaalsContact O-CG 3.24Å; R16-P305 WeakPolarHBondContact O-CG 3.4Å; L18-P305 HydrophobicContact CD2-CG 3.82Å; L18-P305 HydrophobicContact CG-CG 3.92Å; Y29-P305 HydrophobicContact CD2-CB 3.59Å; Y29-P305 HydrophobicContact CD2-CG 4.02Å; Y29-P305 HydrophobicContact CE2-CB 3.32Å; Y29-P305 HydrophobicContact CE2-CG 3.83Å; Y29-P305 HydrophobicContact CG-CB 4.41Å; I30-P305 WeakPolarHBondContact CG1-O 3.31Å; I30-P305 PolarHBondContact N-O 2.91Å; P31-P305 WeakPolarHBondContact CD-O 3.31Å; P31-P305 HydrophobicContact CG-CB 3.68Å | ||
| 306 | S | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 139.3 | -177.7 | 163.7 | 0 | 0 | 0 | 0 | 112.6 | D27 S304 Y308 N309 E310 | D27-S306 WeakPolarHBondContact CB-OG 3.38Å; D27-S306 WeakPolarHBondContact OD2-CB 3.47Å; D27-S306 PolarHBondContact OD2-OG 3.33Å; S304-S306 VanDerWaalsContact C-N 3.25Å; S304-S306 PolarHBondContact O-N 3.29Å; S304-S306 WeakPolarHBondContact OG-CB 3.36Å; S304-S306 PolarHBondContact OG-N 2.8Å; S304-S306 VanDerWaalsContact OG-N 3.14Å; S306-Y308 PolarHBondContact O-N 2.96Å; S306-Y308 WeakPolarHBondContact OG-CB 3.34Å; S306-Y308 PolarHBondContact OG-N 2.99Å; S306-N309 PolarHBondContact O-N 3.39Å; S306-N309 VanDerWaalsContact O-N 3.08Å; S306-E310 PolarHBondContact O-N 3.12Å |
| 307 | V | 95.3 | Very high | 96.2 | Very high | 61 Ų | 61 | 21.3 Ų | 21.3 | 37% | 0.37 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -56.1 | -33.1 | 169.4 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | D27 K28 I30 N309 E310 | D27-V307 HydrophobicContact CB-CG1 4.41Å; K28-V307 HydrophobicContact CB-CB 4.41Å; K28-V307 HydrophobicContact CB-CG1 4.27Å; K28-V307 PolarHBondContact O-N 2.93Å; I30-V307 HydrophobicContact CG2-CB 3.62Å; I30-V307 HydrophobicContact CG2-CG2 4.02Å; V307-N309 PolarHBondContact O-N 3.31Å; V307-E310 VanDerWaalsContact O-CB 3.31Å; V307-E310 WeakPolarHBondContact O-CB 3.25Å; V307-E310 PolarHBondContact O-N 2.81Å |
| 308 | Y | 92.9 | Very high | 96.2 | Very high | 135 Ų | 135 | 24.2 Ų | 24.2 | 53% | 0.529 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -62.4 | -30.1 | 177.7 | -175.4 | -95 | 0 | 0 | 0 | 112.1 | K240 S306 | K240-Y308 PolarHBondContact NZ-O 2.78Å; S306-Y308 PolarHBondContact O-N 2.96Å; S306-Y308 WeakPolarHBondContact OG-CB 3.34Å; S306-Y308 PolarHBondContact OG-N 2.99Å |
| 309 | N | 93.6 | Very high | 96 | Very high | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -98.2 | 5.8 | -177.7 | -69.8 | -41.7 | 0 | 0 | 0 | 113.4 | E22 Q86 S304 S306 V307 A311 E312 T313 | E22-N309 PolarHBondContact OE1-ND2 3.4Å; E22-N309 VanDerWaalsContact OE1-ND2 3.09Å; Q86-N309 PolarHBondContact NE2-OD1 3.5Å; Q86-N309 VanDerWaalsContact NE2-OD1 3.13Å; Q86-N309 PolarHBondContact OE1-OD1 3.43Å; S304-N309 WeakPolarHBondContact CB-ND2 3.32Å; S304-N309 PolarHBondContact OG-ND2 3.09Å; S304-N309 VanDerWaalsContact OG-ND2 3.13Å; S306-N309 PolarHBondContact O-N 3.39Å; S306-N309 VanDerWaalsContact O-N 3.08Å; V307-N309 PolarHBondContact O-N 3.31Å; N309-A311 VanDerWaalsContact C-N 3.29Å; N309-A311 PolarHBondContact O-N 3.17Å; N309-A311 VanDerWaalsContact O-N 3.14Å; N309-E312 PolarHBondContact O-N 3Å; N309-T313 PolarHBondContact O-N 2.85Å; N309-T313 PolarHBondContact O-OG1 2.76Å |
| 310 | E | 95.1 | Very high | 96 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 23% | 0.234 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -49.9 | -46.4 | -174 | -178.8 | -170.9 | 159.3 | 0 | 0 | 113.3 | I30 I41 T42 S306 V307 E312 T313 K314 | I30-E310 HydrophobicContact CD1-CB 3.77Å; I30-E310 HydrophobicContact CD1-CG 3.84Å; I41-E310 HydrophobicContact CG2-CG 4.26Å; T42-E310 HydrophobicContact CG2-CG 4.4Å; T42-E310 WeakPolarHBondContact CG2-OE1 3.34Å; S306-E310 PolarHBondContact O-N 3.12Å; V307-E310 VanDerWaalsContact O-CB 3.31Å; V307-E310 WeakPolarHBondContact O-CB 3.25Å; V307-E310 PolarHBondContact O-N 2.81Å; E310-E312 PolarHBondContact O-N 3.38Å; E310-T313 PolarHBondContact O-N 2.82Å; E310-K314 HydrophobicContact CG-CD 4.3Å; E310-K314 WeakPolarHBondContact O-CG 3.31Å; E310-K314 PolarHBondContact O-N 3.04Å; E310-K314 WeakPolarHBondContact OE1-CE 3.35Å; E310-K314 IonicContact OE1-NZ 3.01Å; E310-K314 PolarHBondContact OE1-NZ 3.37Å |
| 311 | A | 93.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 27.8 Ų | 27.8 | 48% | 0.479 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.9 | -40.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N309 K314 S315 | N309-A311 VanDerWaalsContact C-N 3.29Å; N309-A311 PolarHBondContact O-N 3.17Å; N309-A311 VanDerWaalsContact O-N 3.14Å; A311-K314 PolarHBondContact O-N 3.41Å; A311-S315 PolarHBondContact O-N 3.22Å; A311-S315 PolarHBondContact O-OG 2.7Å; A311-S315 VanDerWaalsContact O-OG 3.06Å |
| 312 | E | 93.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.6 | -38 | 179.9 | -68.5 | -55.6 | 148.6 | 0 | 0 | 111.5 | Q86 E236 K240 N309 E310 K314 S315 T316 | Q86-E312 HydrophobicContact CB-CB 4.37Å; E236-E312 HydrophobicContact CB-CG 4.47Å; K240-E312 HydrophobicContact CD-CG 4.28Å; N309-E312 PolarHBondContact O-N 3Å; E310-E312 PolarHBondContact O-N 3.38Å; E312-K314 VanDerWaalsContact C-N 3.32Å; E312-K314 PolarHBondContact O-N 3.01Å; E312-S315 WeakPolarHBondContact O-CB 3.36Å; E312-S315 PolarHBondContact O-N 2.93Å; E312-T316 WeakPolarHBondContact O-CB 2.85Å; E312-T316 PolarHBondContact O-N 3.18Å; E312-T316 PolarHBondContact O-OG1 2.82Å |
| 313 | T | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 169.5 | -66.9 | 0 | 0 | 0 | 0 | 110.4 | F15 I41 C303 S304 N309 E310 S315 T316 L317 | F15-T313 HydrophobicContact CE1-CG2 3.98Å; F15-T313 HydrophobicContact CZ-CG2 4.12Å; I41-T313 HydrophobicContact CD1-CG2 4.39Å; I41-T313 HydrophobicContact CG1-CG2 4.45Å; C303-T313 HydrophobicContact CB-CG2 3.98Å; S304-T313 PolarHBondContact O-OG1 2.87Å; N309-T313 PolarHBondContact O-N 2.85Å; N309-T313 PolarHBondContact O-OG1 2.76Å; E310-T313 PolarHBondContact O-N 2.82Å; T313-S315 PolarHBondContact O-N 2.92Å; T313-T316 PolarHBondContact O-N 3.11Å; T313-L317 HydrophobicContact CG2-CD1 3.92Å; T313-L317 HydrophobicContact CG2-CG 4.4Å; T313-L317 WeakPolarHBondContact O-CG 3.38Å; T313-L317 PolarHBondContact O-N 3.49Å |
| 314 | K | 96.6 | Very high | 95.2 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 27% | 0.265 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.8 | -45 | 175.4 | -75.1 | 178 | 179.4 | 175 | 0 | 112.4 | I41 T42 E310 A311 E312 T316 L317 M318 | I41-K314 HydrophobicContact CG2-CG 4.26Å; T42-K314 WeakPolarHBondContact OG1-CE 3.43Å; T42-K314 PolarHBondContact OG1-NZ 2.91Å; E310-K314 HydrophobicContact CG-CD 4.3Å; E310-K314 WeakPolarHBondContact O-CG 3.31Å; E310-K314 PolarHBondContact O-N 3.04Å; E310-K314 WeakPolarHBondContact OE1-CE 3.35Å; E310-K314 IonicContact OE1-NZ 3.01Å; E310-K314 PolarHBondContact OE1-NZ 3.37Å; A311-K314 PolarHBondContact O-N 3.41Å; E312-K314 VanDerWaalsContact C-N 3.32Å; E312-K314 PolarHBondContact O-N 3.01Å; K314-T316 VanDerWaalsContact C-N 3.32Å; K314-T316 PolarHBondContact O-N 3.18Å; K314-L317 PolarHBondContact O-N 2.96Å; K314-M318 VanDerWaalsContact O-CG 3.29Å; K314-M318 WeakPolarHBondContact O-CG 3.32Å; K314-M318 PolarHBondContact O-N 3.07Å |
| 315 | S | 94.8 | Very high | 95 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | A311 E312 T313 M318 F319 | A311-S315 PolarHBondContact O-N 3.22Å; A311-S315 PolarHBondContact O-OG 2.7Å; A311-S315 VanDerWaalsContact O-OG 3.06Å; E312-S315 WeakPolarHBondContact O-CB 3.36Å; E312-S315 PolarHBondContact O-N 2.93Å; T313-S315 PolarHBondContact O-N 2.92Å; S315-M318 PolarHBondContact O-N 2.9Å; S315-F319 PolarHBondContact O-N 2.85Å |
| 316 | T | 96.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 179.5 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | Y84 I301 E312 T313 K314 F319 G320 | Y84-T316 HydrophobicContact CD1-CG2 4.13Å; Y84-T316 HydrophobicContact CE1-CG2 4.35Å; I301-T316 HydrophobicContact CB-CG2 3.72Å; I301-T316 HydrophobicContact CG1-CG2 4.47Å; I301-T316 HydrophobicContact CG2-CG2 4.33Å; E312-T316 WeakPolarHBondContact O-CB 2.85Å; E312-T316 PolarHBondContact O-N 3.18Å; E312-T316 PolarHBondContact O-OG1 2.82Å; T313-T316 PolarHBondContact O-N 3.11Å; K314-T316 VanDerWaalsContact C-N 3.32Å; K314-T316 PolarHBondContact O-N 3.18Å; T316-F319 WeakPolarHBondContact O-CB 3.34Å; T316-F319 PolarHBondContact O-N 3.34Å; T316-G320 PolarHBondContact O-N 2.92Å; T316-G320 VanDerWaalsContact O-N 3.09Å |
| 317 | L | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 176.6 | -64.5 | 166.9 | 0 | 0 | 0 | 111.9 | C13 V39 I41 Y46 F48 I301 T313 K314 F319 G320 Q321 | C13-L317 WeakPolarHBondContact SG-CD2 3.41Å; V39-L317 HydrophobicContact CG1-CD1 4.45Å; V39-L317 HydrophobicContact CG1-CD2 3.94Å; I41-L317 HydrophobicContact CD1-CD1 4.45Å; I41-L317 HydrophobicContact CG1-CD1 3.54Å; Y46-L317 HydrophobicContact CD1-CB 3.57Å; Y46-L317 HydrophobicContact CD1-CD1 4.27Å; Y46-L317 HydrophobicContact CD1-CG 4.45Å; Y46-L317 HydrophobicContact CD2-CD1 3.86Å; Y46-L317 HydrophobicContact CE1-CB 3.74Å; Y46-L317 HydrophobicContact CE1-CD1 4.35Å; Y46-L317 HydrophobicContact CE2-CD1 3.98Å; Y46-L317 HydrophobicContact CG-CB 4.05Å; Y46-L317 HydrophobicContact CG-CD1 4.01Å; Y46-L317 HydrophobicContact CG-CG 4.47Å; F48-L317 HydrophobicContact CE2-CD2 3.53Å; F48-L317 HydrophobicContact CZ-CB 4.11Å; F48-L317 HydrophobicContact CZ-CD2 3.7Å; F48-L317 WeakPolarHBondContact CZ-O 3.43Å; I301-L317 HydrophobicContact CD1-CD2 4.13Å; T313-L317 HydrophobicContact CG2-CD1 3.92Å; T313-L317 HydrophobicContact CG2-CG 4.4Å; T313-L317 WeakPolarHBondContact O-CG 3.38Å; T313-L317 PolarHBondContact O-N 3.49Å; K314-L317 PolarHBondContact O-N 2.96Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.49Å; L317-G320 PolarHBondContact O-N 2.75Å; L317-Q321 WeakPolarHBondContact O-CG 3.45Å; L317-Q321 PolarHBondContact O-N 2.9Å |
| 318 | M | 95.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 176.8 | -68.2 | -61.9 | -52.7 | 0 | 0 | 112 | Y46 K314 S315 Q321 R322 | Y46-M318 HydrophobicContact CE1-CG 4.35Å; Y46-M318 HydrophobicContact CE1-SD 3.81Å; K314-M318 VanDerWaalsContact O-CG 3.29Å; K314-M318 WeakPolarHBondContact O-CG 3.32Å; K314-M318 PolarHBondContact O-N 3.07Å; S315-M318 PolarHBondContact O-N 2.9Å; M318-Q321 PolarHBondContact O-N 2.92Å; M318-R322 PolarHBondContact O-N 2.84Å |
| 319 | F | 94.8 | Very high | 93.9 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.5 | 172 | -88.3 | 0 | 0 | 0 | 111 | Y84 L261 I265 I299 I301 S315 T316 L317 Q321 R322 A323 | Y84-F319 AromaticContact CD1-CD1 3.63Å; Y84-F319 HydrophobicContact CD1-CD1 3.63Å; Y84-F319 AromaticContact CD1-CE1 3.86Å; Y84-F319 HydrophobicContact CD1-CE1 3.86Å; Y84-F319 HydrophobicContact CD1-CG 4.16Å; Y84-F319 HydrophobicContact CD2-CD1 4.42Å; Y84-F319 AromaticContact CD2-CE1 3.93Å; Y84-F319 HydrophobicContact CD2-CE1 3.93Å; Y84-F319 HydrophobicContact CD2-CE2 4.38Å; Y84-F319 AromaticContact CD2-CZ 3.9Å; Y84-F319 HydrophobicContact CD2-CZ 3.9Å; Y84-F319 HydrophobicContact CE1-CB 4.02Å; Y84-F319 AromaticContact CE1-CD1 3.68Å; Y84-F319 HydrophobicContact CE1-CD1 3.68Å; Y84-F319 HydrophobicContact CE1-CD2 4.2Å; Y84-F319 HydrophobicContact CE1-CE1 4.17Å; Y84-F319 AromaticContact CE1-CG 3.7Å; Y84-F319 HydrophobicContact CE1-CG 3.7Å; Y84-F319 HydrophobicContact CE2-CD1 4.44Å; Y84-F319 HydrophobicContact CE2-CD2 4.21Å; Y84-F319 HydrophobicContact CE2-CE1 4.21Å; Y84-F319 AromaticContact CE2-CE2 3.94Å; Y84-F319 HydrophobicContact CE2-CE2 3.94Å; Y84-F319 HydrophobicContact CE2-CG 4.45Å; Y84-F319 AromaticContact CE2-CZ 3.94Å; Y84-F319 HydrophobicContact CE2-CZ 3.94Å; Y84-F319 HydrophobicContact CG-CD1 4.03Å; Y84-F319 AromaticContact CG-CE1 3.74Å; Y84-F319 HydrophobicContact CG-CE1 3.74Å; Y84-F319 HydrophobicContact CG-CZ 4.21Å; Y84-F319 AromaticContact CZ-CD2 3.85Å; Y84-F319 AromaticContact CZ-CG 3.85Å; L261-F319 HydrophobicContact CD2-CE2 4.49Å; L261-F319 HydrophobicContact CD2-CZ 4.16Å; I265-F319 HydrophobicContact CD1-CD2 4.33Å; I265-F319 HydrophobicContact CD1-CE1 4.17Å; I265-F319 HydrophobicContact CD1-CE2 3.34Å; I265-F319 HydrophobicContact CD1-CZ 3.24Å; I299-F319 HydrophobicContact CG2-CE1 4.24Å; I301-F319 HydrophobicContact CG2-CD1 4.24Å; S315-F319 PolarHBondContact O-N 2.85Å; T316-F319 WeakPolarHBondContact O-CB 3.34Å; T316-F319 PolarHBondContact O-N 3.34Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 PolarHBondContact O-N 3.49Å; F319-Q321 VanDerWaalsContact C-N 3.32Å; F319-Q321 PolarHBondContact O-N 3.5Å; F319-R322 PolarHBondContact O-N 3.38Å; F319-A323 PolarHBondContact O-N 2.68Å |
| 320 | G | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -39.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T316 L317 R322 A323 K324 | T316-G320 PolarHBondContact O-N 2.92Å; T316-G320 VanDerWaalsContact O-N 3.09Å; L317-G320 PolarHBondContact O-N 2.75Å; G320-R322 VanDerWaalsContact C-N 3.31Å; G320-R322 PolarHBondContact O-N 3.26Å; G320-A323 PolarHBondContact O-N 3.48Å; G320-K324 PolarHBondContact O-N 3.25Å |
| 321 | Q | 95.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 178.2 | -74.9 | -173.3 | -54.5 | 0 | 0 | 112.6 | F48 L317 M318 F319 | F48-Q321 HydrophobicContact CE1-CG 3.96Å; F48-Q321 HydrophobicContact CZ-CG 4.08Å; L317-Q321 WeakPolarHBondContact O-CG 3.45Å; L317-Q321 PolarHBondContact O-N 2.9Å; M318-Q321 PolarHBondContact O-N 2.92Å; F319-Q321 VanDerWaalsContact C-N 3.32Å; F319-Q321 PolarHBondContact O-N 3.5Å |
| 322 | R | 94.1 | Very high | 93 | Very high | 135 Ų | 135 | 39.2 Ų | 39.2 | 51% | 0.509 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.9 | -42.2 | 175.2 | -66.1 | 179.9 | -173.1 | -175.4 | 2.8 | 111.6 | I265 S266 M318 F319 G320 K324 T325 | I265-R322 HydrophobicContact CG2-CB 3.89Å; S266-R322 PolarHBondContact OG-NH1 2.82Å; M318-R322 PolarHBondContact O-N 2.84Å; F319-R322 PolarHBondContact O-N 3.38Å; G320-R322 VanDerWaalsContact C-N 3.31Å; G320-R322 PolarHBondContact O-N 3.26Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.83Å; R322-T325 PolarHBondContact O-N 2.68Å; R322-T325 PolarHBondContact O-OG1 2.76Å |
| 323 | A | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -34.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 I265 I299 F319 G320 T325 I326 | V11-A323 HydrophobicContact CG2-CB 4.29Å; I265-A323 HydrophobicContact CD1-CB 4.29Å; I265-A323 HydrophobicContact CG2-CB 4.16Å; I299-A323 HydrophobicContact CD1-CB 3.55Å; F319-A323 PolarHBondContact O-N 2.68Å; G320-A323 PolarHBondContact O-N 3.48Å; A323-T325 PolarHBondContact O-N 3.35Å; A323-I326 WeakPolarHBondContact O-CB 3.43Å; A323-I326 WeakPolarHBondContact O-CG1 3.04Å; A323-I326 PolarHBondContact O-N 3.21Å; A323-I326 VanDerWaalsContact O-N 3.11Å |
| 324 | K | 93.7 | Very high | 92 | Very high | 70 Ų | 70 | 44.3 Ų | 44.3 | 30% | 0.304 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.2 | 177.8 | -169.8 | -177.2 | 171.6 | 84 | 0 | 113.6 | V11 D49 G320 R322 I326 | V11-K324 HydrophobicContact CB-CB 4.37Å; V11-K324 HydrophobicContact CG2-CB 3.8Å; V11-K324 HydrophobicContact CG2-CG 4.46Å; D49-K324 VanDerWaalsContact N-NZ 3.18Å; D49-K324 IonicContact OD1-NZ 2.66Å; D49-K324 PolarHBondContact OD1-NZ 2.84Å; D49-K324 IonicContact OD2-NZ 2.8Å; D49-K324 PolarHBondContact OD2-NZ 2.71Å; G320-K324 PolarHBondContact O-N 3.25Å; R322-K324 VanDerWaalsContact C-N 3.28Å; R322-K324 PolarHBondContact O-N 2.83Å; K324-I326 VanDerWaalsContact C-N 3.3Å |
| 325 | T | 92.3 | Very high | 91.3 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.8 | 179.9 | 68 | 0 | 0 | 0 | 0 | 113.3 | A269 R322 A323 | A269-T325 WeakPolarHBondContact CB-OG1 3.44Å; R322-T325 PolarHBondContact O-N 2.68Å; R322-T325 PolarHBondContact O-OG1 2.76Å; A323-T325 PolarHBondContact O-N 3.35Å |
| 326 | I | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -73.4 | 136.7 | 179.4 | -60.3 | 173.8 | 0 | 0 | 0 | 109.9 | G8 V9 I265 L268 A323 K324 | G8-I326 WeakPolarHBondContact CA-O 3.49Å; V9-I326 HydrophobicContact CB-CB 4.4Å; V9-I326 HydrophobicContact CG2-CB 3.8Å; V9-I326 HydrophobicContact CG2-CG2 3.83Å; V9-I326 PolarHBondContact N-O 3.25Å; I265-I326 HydrophobicContact CB-CD1 4.08Å; I265-I326 HydrophobicContact CG1-CD1 3.82Å; I265-I326 HydrophobicContact CG2-CD1 3.99Å; L268-I326 HydrophobicContact CB-CD1 4.02Å; L268-I326 HydrophobicContact CB-CG1 3.86Å; L268-I326 HydrophobicContact CB-CG2 4.19Å; L268-I326 HydrophobicContact CD1-CD1 4.09Å; L268-I326 HydrophobicContact CD1-CG2 4.12Å; A323-I326 WeakPolarHBondContact O-CB 3.43Å; A323-I326 WeakPolarHBondContact O-CG1 3.04Å; A323-I326 PolarHBondContact O-N 3.21Å; A323-I326 VanDerWaalsContact O-N 3.11Å; K324-I326 VanDerWaalsContact C-N 3.3Å | ||
| 327 | K | 90.1 | Very high | 89.3 | Confident | 122 Ų | 122 | 46.8 Ų | 46.8 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.6 | 174.1 | -77.9 | 146.1 | 146.1 | -112.9 | 0 | 109.7 | E6 | E6-K327 HydrophobicContact CG-CB 3.94Å; E6-K327 HydrophobicContact CG-CG 4.13Å; E6-K327 VanDerWaalsContact OE1-CB 3.29Å; E6-K327 WeakPolarHBondContact OE1-CB 3.49Å; E6-K327 WeakPolarHBondContact OE1-CD 3.46Å; E6-K327 WeakPolarHBondContact OE1-CE 3.18Å; E6-K327 VanDerWaalsContact OE1-CG 3.32Å; E6-K327 WeakPolarHBondContact OE1-CG 3.29Å; E6-K327 IonicContact OE1-NZ 3.54Å; E6-K327 PolarHBondContact OE1-NZ 2.93Å; E6-K327 IonicContact OE2-NZ 3.25Å; E6-K327 PolarHBondContact OE2-NZ 3.3Å |
| 328 | N | 89.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 154.5 | 173.8 | -72.1 | 4.8 | 0 | 0 | 0 | 109.6 | E6 C7 S290 G292 G293 C295 T297 V330 | E6-N328 CarbonylContact C-O 3.53Å; E6-N328 WeakPolarHBondContact CA-O 3.4Å; C7-N328 PolarHBondContact N-O 3.45Å; C7-N328 PolarHBondContact O-N 3.38Å; S290-N328 PolarHBondContact O-ND2 2.81Å; G292-N328 WeakPolarHBondContact CA-OD1 3.35Å; G292-N328 PolarHBondContact N-OD1 2.71Å; G293-N328 WeakPolarHBondContact O-CB 3.2Å; C295-N328 WeakPolarHBondContact O-CB 3.19Å; C295-N328 PolarHBondContact O-ND2 2.94Å; T297-N328 PolarHBondContact OG1-ND2 3.13Å; N328-V330 HydrophobicContact CB-CG1 4.48Å |
| 329 | T | 88 | Confident | 87.3 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 95.8 | 178 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | A4 G293 N294 | A4-T329 HydrophobicContact CB-CG2 3.77Å; G293-T329 PolarHBondContact O-N 3.44Å; N294-T329 VanDerWaalsContact CA-O 3.29Å; N294-T329 WeakPolarHBondContact CA-O 3.4Å |
| 330 | V | 87.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.7 | -171.7 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | A5 C7 Y77 N294 C295 R296 N328 | A5-V330 HydrophobicContact CB-CG2 4.13Å; A5-V330 PolarHBondContact N-O 3.05Å; A5-V330 WeakPolarHBondContact O-CG2 3.33Å; A5-V330 PolarHBondContact O-N 3.27Å; C7-V330 HydrophobicContact CB-CG1 4.29Å; C7-V330 HydrophobicContact CB-CG2 4.13Å; Y77-V330 HydrophobicContact CD1-CB 4.32Å; Y77-V330 HydrophobicContact CE1-CG2 4.47Å; N294-V330 WeakPolarHBondContact OD1-CA 3.45Å; C295-V330 VanDerWaalsContact C-CG1 3.49Å; C295-V330 WeakPolarHBondContact O-CG1 3.45Å; R296-V330 HydrophobicContact CG-CG1 3.98Å; N328-V330 HydrophobicContact CB-CG1 4.48Å |
| 331 | C | 86.4 | Confident | 85.7 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | trans | -137.5 | 141.6 | -178.4 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | A4 N294 | A4-C331 VanDerWaalsContact CB-SG 3.55Å; N294-C331 PolarHBondContact ND2-O 2.85Å; N294-C331 PolarHBondContact OD1-N 2.99Å; N294-C331 PolarHBondContact OD1-O 2.89Å; N294-C331 VanDerWaalsContact OD1-O 3.05Å | ||
| 332 | V | 88.9 | Confident | 84.9 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | trans | -72 | 130.5 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Y77 L223 L334 | Y77-V332 HydrophobicContact CD1-CG2 4.1Å; Y77-V332 HydrophobicContact CD2-CG2 4.33Å; Y77-V332 HydrophobicContact CE1-CB 4.44Å; Y77-V332 HydrophobicContact CE1-CG2 3.46Å; Y77-V332 VanDerWaalsContact CE1-CG2 3.46Å; Y77-V332 HydrophobicContact CE2-CG2 3.71Å; Y77-V332 WeakPolarHBondContact OH-CG2 3.42Å; L223-V332 HydrophobicContact CD2-CG1 3.45Å; L223-V332 VanDerWaalsContact CD2-CG1 3.45Å; V332-L334 VanDerWaalsContact C-N 3.3Å; V332-L334 HydrophobicContact CG1-CB 4.27Å; V332-L334 PolarHBondContact O-N 2.79Å | ||
| 333 | N | 85.1 | Confident | 84.3 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | trans | -83.1 | 78.3 | 172.9 | -56.8 | -55 | 0 | 0 | 0 | 109.7 | G76 N78 L223 S224 N294 | G76-N333 WeakPolarHBondContact O-CB 3.49Å; G76-N333 PolarHBondContact O-N 2.95Å; G76-N333 PolarHBondContact O-ND2 3.21Å; N78-N333 PolarHBondContact OD1-ND2 2.95Å; L223-N333 WeakPolarHBondContact CA-O 3.47Å; S224-N333 PolarHBondContact N-O 2.85Å; S224-N333 VanDerWaalsContact N-O 3.13Å; S224-N333 WeakPolarHBondContact O-CB 3.19Å; S224-N333 PolarHBondContact O-ND2 3.41Å; S224-N333 VanDerWaalsContact O-ND2 3.11Å; N294-N333 PolarHBondContact ND2-OD1 2.78Å | ||
| 334 | L | 83.9 | Confident | 83.6 | Confident | 60 Ų | 60 | 73.4 Ų | 73.4 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.7 | 175.7 | 178 | 69.2 | 0 | 0 | 0 | 110.2 | K221 L223 V332 L336 | K221-L334 HydrophobicContact CB-CD1 4.36Å; L223-L334 HydrophobicContact CD2-CB 3.86Å; L223-L334 HydrophobicContact CD2-CD1 3.62Å; L223-L334 HydrophobicContact CD2-CG 4.33Å; L223-L334 HydrophobicContact CG-CD1 3.99Å; V332-L334 VanDerWaalsContact C-N 3.3Å; V332-L334 HydrophobicContact CG1-CB 4.27Å; V332-L334 PolarHBondContact O-N 2.79Å; L334-L336 HydrophobicContact CD2-CD2 3.62Å; L334-L336 HydrophobicContact CG-CD2 4.01Å |
| 335 | E | 80.8 | Confident | 83.1 | Confident | 121 Ų | 121 | 77.1 Ų | 77.1 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.6 | 166.6 | -161.3 | 172.2 | -170.6 | 0 | 0 | 108.6 | K222 | K222-E335 HydrophobicContact CB-CB 4.09Å; K222-E335 PolarHBondContact N-O 3.03Å; K222-E335 PolarHBondContact O-N 3.16Å |
| 336 | L | 73.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 78.2 Ų | 78.2 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 153.3 | 179.7 | -58.1 | 168.3 | 0 | 0 | 0 | 110.2 | L334 E340 W341 K344 | L334-L336 HydrophobicContact CD2-CD2 3.62Å; L334-L336 HydrophobicContact CG-CD2 4.01Å; L336-E340 HydrophobicContact CB-CB 4.05Å; L336-E340 WeakPolarHBondContact CD2-OE2 3.41Å; L336-W341 HydrophobicContact CB-CG 4.33Å; L336-W341 PolarHBondContact O-NE1 3Å; L336-K344 HydrophobicContact CD1-CD 3.87Å |
| 337 | T | 75.9 | Confident | 82.5 | Confident | 19 Ų | 19 | 85 Ų | 85 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 160.8 | 175.7 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | T219 E220 E339 E340 W341 | T219-T337 VanDerWaalsContact O-CG2 3.24Å; T219-T337 WeakPolarHBondContact O-CG2 3.26Å; E220-T337 HydrophobicContact CB-CG2 3.79Å; T337-E339 PolarHBondContact O-N 3.29Å; T337-E340 PolarHBondContact O-N 3.36Å; T337-E340 WeakPolarHBondContact OG1-CG 3.46Å; T337-E340 PolarHBondContact OG1-N 3.24Å; T337-W341 WeakPolarHBondContact O-CB 3.33Å; T337-W341 VanDerWaalsContact O-CD1 3.31Å; T337-W341 PolarHBondContact O-N 3.43Å |
| 338 | A | 76.1 | Confident | 82.3 | Confident | 83 Ų | 83 | 84 Ų | 84 | 69% | 0.686 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57.8 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K342 | A338-K342 WeakPolarHBondContact O-CB 3.26Å; A338-K342 PolarHBondContact O-N 3.39Å |
| 339 | E | 75.5 | Confident | 82.2 | Confident | 162 Ų | 162 | 90 Ų | 90 | 76% | 0.757 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.6 | -44 | 176.7 | -65 | -167.9 | 159.1 | 0 | 0 | 112.6 | T337 W341 K342 K343 | T337-E339 PolarHBondContact O-N 3.29Å; E339-W341 VanDerWaalsContact C-N 3.32Å; E339-W341 PolarHBondContact O-N 3.32Å; E339-K342 WeakPolarHBondContact O-CB 3.06Å; E339-K342 PolarHBondContact O-N 3.21Å; E339-K343 WeakPolarHBondContact O-CB 3.38Å; E339-K343 PolarHBondContact O-N 3.04Å |
| 340 | E | 77.3 | Confident | 82.2 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 29% | 0.285 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 175.5 | -74.4 | -176.7 | 147.8 | 0 | 0 | 111.2 | K221 L336 T337 K343 K344 | K221-E340 WeakPolarHBondContact CE-OE1 3.47Å; K221-E340 WeakPolarHBondContact CE-OE2 3.5Å; K221-E340 IonicContact NZ-OE1 3.69Å; K221-E340 PolarHBondContact NZ-OE1 3.27Å; L336-E340 HydrophobicContact CB-CB 4.05Å; L336-E340 WeakPolarHBondContact CD2-OE2 3.41Å; T337-E340 PolarHBondContact O-N 3.36Å; T337-E340 WeakPolarHBondContact OG1-CG 3.46Å; T337-E340 PolarHBondContact OG1-N 3.24Å; E340-K343 PolarHBondContact O-N 3.48Å; E340-K344 WeakPolarHBondContact O-CB 3.46Å; E340-K344 PolarHBondContact O-N 2.98Å |
| 341 | W | 78.5 | Confident | 82.1 | Confident | 144 Ų | 144 | 95.9 Ų | 95.9 | 55% | 0.545 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 171.1 | -87.7 | 117.2 | 0 | 0 | 0 | 112.1 | L336 T337 E339 K343 K344 Y345 | L336-W341 HydrophobicContact CB-CG 4.33Å; L336-W341 PolarHBondContact O-NE1 3Å; T337-W341 WeakPolarHBondContact O-CB 3.33Å; T337-W341 VanDerWaalsContact O-CD1 3.31Å; T337-W341 PolarHBondContact O-N 3.43Å; E339-W341 VanDerWaalsContact C-N 3.32Å; E339-W341 PolarHBondContact O-N 3.32Å; W341-K343 PolarHBondContact O-N 2.77Å; W341-K344 PolarHBondContact O-N 2.83Å; W341-Y345 VanDerWaalsContact O-CB 3.28Å; W341-Y345 WeakPolarHBondContact O-CB 3.34Å; W341-Y345 PolarHBondContact O-N 3.02Å |
| 342 | K | 80 | Confident | 82 | Confident | 129 Ų | 129 | 98.1 Ų | 98.1 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 177.2 | -176.1 | -178.9 | 176.1 | -174.2 | 0 | 111.2 | A338 E339 K344 Y345 E346 | A338-K342 WeakPolarHBondContact O-CB 3.26Å; A338-K342 PolarHBondContact O-N 3.39Å; E339-K342 WeakPolarHBondContact O-CB 3.06Å; E339-K342 PolarHBondContact O-N 3.21Å; K342-K344 PolarHBondContact O-N 3.2Å; K342-Y345 WeakPolarHBondContact O-CB 3.38Å; K342-Y345 PolarHBondContact O-N 3.14Å; K342-E346 VanDerWaalsContact CE-OE1 3.24Å; K342-E346 WeakPolarHBondContact CE-OE1 3.41Å; K342-E346 WeakPolarHBondContact O-CB 3.41Å; K342-E346 WeakPolarHBondContact O-CG 3.46Å; K342-E346 PolarHBondContact O-N 3.36Å |
| 343 | K | 80.8 | Confident | 82.1 | Confident | 160 Ų | 160 | 101.9 Ų | 101.9 | 70% | 0.696 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 177.9 | -169.9 | 175.8 | -177 | 176.2 | 0 | 112.2 | E339 E340 W341 K347 | E339-K343 WeakPolarHBondContact O-CB 3.38Å; E339-K343 PolarHBondContact O-N 3.04Å; E340-K343 PolarHBondContact O-N 3.48Å; W341-K343 PolarHBondContact O-N 2.77Å; K343-K347 WeakPolarHBondContact O-CB 3.35Å; K343-K347 PolarHBondContact O-N 2.98Å |
| 344 | K | 78.9 | Confident | 82 | Confident | 101 Ų | 101 | 102.7 Ų | 102.7 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 173.1 | -101.1 | -178.4 | 176.6 | 168.4 | 0 | 111.6 | L336 E340 W341 K342 K347 E348 | L336-K344 HydrophobicContact CD1-CD 3.87Å; E340-K344 WeakPolarHBondContact O-CB 3.46Å; E340-K344 PolarHBondContact O-N 2.98Å; W341-K344 PolarHBondContact O-N 2.83Å; K342-K344 PolarHBondContact O-N 3.2Å; K344-K347 PolarHBondContact O-N 3.35Å; K344-E348 WeakPolarHBondContact O-CB 3.36Å; K344-E348 PolarHBondContact O-N 3.1Å |
| 345 | Y | 84 | Confident | 82.1 | Confident | 149 Ų | 149 | 105.1 Ų | 105.1 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 178.1 | 174.9 | -98.3 | 0 | 0 | 0 | 111.5 | W341 K342 E348 K349 | W341-Y345 VanDerWaalsContact O-CB 3.28Å; W341-Y345 WeakPolarHBondContact O-CB 3.34Å; W341-Y345 PolarHBondContact O-N 3.02Å; K342-Y345 WeakPolarHBondContact O-CB 3.38Å; K342-Y345 PolarHBondContact O-N 3.14Å; Y345-E348 PolarHBondContact O-N 3.36Å; Y345-K349 HydrophobicContact CE1-CD 3.99Å; Y345-K349 WeakPolarHBondContact O-CB 3.4Å; Y345-K349 PolarHBondContact O-N 3.06Å |
| 346 | E | 87.9 | Confident | 82.4 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.7 | -75.6 | 174 | -179.2 | 0 | 0 | 111.9 | K342 E348 K349 E350 | K342-E346 VanDerWaalsContact CE-OE1 3.24Å; K342-E346 WeakPolarHBondContact CE-OE1 3.41Å; K342-E346 WeakPolarHBondContact O-CB 3.41Å; K342-E346 WeakPolarHBondContact O-CG 3.46Å; K342-E346 PolarHBondContact O-N 3.36Å; E346-E348 PolarHBondContact O-N 3.08Å; E346-K349 PolarHBondContact O-N 3.38Å; E346-E350 PolarHBondContact O-N 3.49Å |
| 347 | K | 83.8 | Confident | 82.9 | Confident | 143 Ų | 143 | 106.9 Ų | 106.9 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 176.1 | -172.9 | 176.7 | -177.3 | 177.2 | 0 | 112 | K343 K344 E350 K351 | K343-K347 WeakPolarHBondContact O-CB 3.35Å; K343-K347 PolarHBondContact O-N 2.98Å; K344-K347 PolarHBondContact O-N 3.35Å; K347-E350 PolarHBondContact O-N 2.86Å; K347-K351 WeakPolarHBondContact O-CG 3.4Å; K347-K351 PolarHBondContact O-N 2.87Å; K347-K351 VanDerWaalsContact O-N 3.08Å |
| 348 | E | 84.6 | Confident | 83.2 | Confident | 103 Ų | 103 | 107.7 Ų | 107.7 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.4 | -32.8 | -179.3 | -153.8 | 59.6 | -146.6 | 0 | 0 | 111.9 | K344 Y345 E346 K351 N352 | K344-E348 WeakPolarHBondContact O-CB 3.36Å; K344-E348 PolarHBondContact O-N 3.1Å; Y345-E348 PolarHBondContact O-N 3.36Å; E346-E348 PolarHBondContact O-N 3.08Å; E348-K351 PolarHBondContact O-N 3.49Å; E348-K351 IonicContact OE1-NZ 3.77Å; E348-K351 IonicContact OE2-NZ 3.14Å; E348-K351 PolarHBondContact OE2-NZ 3.34Å; E348-N352 VanDerWaalsContact O-CB 3.3Å; E348-N352 WeakPolarHBondContact O-CB 3.44Å; E348-N352 PolarHBondContact O-N 2.96Å |
| 349 | K | 89.1 | Confident | 83.6 | Confident | 127 Ų | 127 | 108 Ų | 108 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -43.2 | 172 | -177.1 | 179.3 | 178.7 | -179.1 | 0 | 111.4 | Y345 E346 N352 K353 | Y345-K349 HydrophobicContact CE1-CD 3.99Å; Y345-K349 WeakPolarHBondContact O-CB 3.4Å; Y345-K349 PolarHBondContact O-N 3.06Å; E346-K349 PolarHBondContact O-N 3.38Å; K349-N352 PolarHBondContact O-N 3.02Å; K349-K353 WeakPolarHBondContact O-CB 3.35Å; K349-K353 PolarHBondContact O-N 2.92Å |
| 350 | E | 87.2 | Confident | 84.1 | Confident | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 177.2 | -161.3 | 61.1 | -149.1 | 0 | 0 | 111.2 | E346 K347 N352 K353 S354 | E346-E350 PolarHBondContact O-N 3.49Å; K347-E350 PolarHBondContact O-N 2.86Å; E350-N352 VanDerWaalsContact C-N 3.35Å; E350-N352 PolarHBondContact O-N 3Å; E350-K353 WeakPolarHBondContact O-CB 3.4Å; E350-K353 PolarHBondContact O-N 3.36Å; E350-K353 IonicContact OE1-NZ 2.88Å; E350-K353 PolarHBondContact OE1-NZ 3.44Å; E350-S354 PolarHBondContact O-N 2.76Å; E350-S354 PolarHBondContact O-OG 2.8Å |
| 351 | K | 85.6 | Confident | 84.3 | Confident | 97 Ų | 97 | 111.7 Ų | 111.7 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 171.4 | -74.8 | 179.3 | -174.7 | 170.4 | 0 | 112.4 | K347 E348 K353 S354 L355 | K347-K351 WeakPolarHBondContact O-CG 3.4Å; K347-K351 PolarHBondContact O-N 2.87Å; K347-K351 VanDerWaalsContact O-N 3.08Å; E348-K351 PolarHBondContact O-N 3.49Å; E348-K351 IonicContact OE1-NZ 3.77Å; E348-K351 IonicContact OE2-NZ 3.14Å; E348-K351 PolarHBondContact OE2-NZ 3.34Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.19Å; K351-S354 PolarHBondContact O-N 3Å; K351-L355 WeakPolarHBondContact O-CB 3.44Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 3.3Å |
| 352 | N | 84.4 | Confident | 84.4 | Confident | 80 Ų | 80 | 108.9 Ų | 108.9 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | -179.8 | -162.2 | -65.2 | 0 | 0 | 0 | 110.9 | E348 K349 E350 L355 K356 | E348-N352 VanDerWaalsContact O-CB 3.3Å; E348-N352 WeakPolarHBondContact O-CB 3.44Å; E348-N352 PolarHBondContact O-N 2.96Å; K349-N352 PolarHBondContact O-N 3.02Å; E350-N352 VanDerWaalsContact C-N 3.35Å; E350-N352 PolarHBondContact O-N 3Å; N352-L355 PolarHBondContact O-N 3.42Å; N352-K356 WeakPolarHBondContact O-CB 3.26Å; N352-K356 WeakPolarHBondContact O-CG 3.46Å; N352-K356 PolarHBondContact O-N 3.5Å; N352-K356 WeakPolarHBondContact OD1-CE 3.45Å |
| 353 | K | 89.9 | Confident | 84.6 | Confident | 118 Ų | 118 | 108 Ų | 108 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 173 | -176.3 | -174.9 | 169.4 | -157.9 | 0 | 111.9 | K349 E350 K351 K356 S357 | K349-K353 WeakPolarHBondContact O-CB 3.35Å; K349-K353 PolarHBondContact O-N 2.92Å; E350-K353 WeakPolarHBondContact O-CB 3.4Å; E350-K353 PolarHBondContact O-N 3.36Å; E350-K353 IonicContact OE1-NZ 2.88Å; E350-K353 PolarHBondContact OE1-NZ 3.44Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.19Å; K353-K356 PolarHBondContact O-N 3.21Å; K353-S357 WeakPolarHBondContact O-CB 3.29Å; K353-S357 PolarHBondContact O-N 3.03Å; K353-S357 PolarHBondContact O-OG 3.37Å |
| 354 | S | 84.2 | Confident | 84.6 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.2 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | E350 K351 S357 A358 | E350-S354 PolarHBondContact O-N 2.76Å; E350-S354 PolarHBondContact O-OG 2.8Å; K351-S354 PolarHBondContact O-N 3Å; S354-S357 WeakPolarHBondContact O-CB 3.49Å; S354-S357 PolarHBondContact O-N 2.74Å; S354-A358 PolarHBondContact O-N 3.12Å |
| 355 | L | 85.3 | Confident | 84.7 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 177.1 | -73.6 | 170.6 | 0 | 0 | 0 | 112.1 | K351 N352 S357 A358 I359 | K351-L355 WeakPolarHBondContact O-CB 3.44Å; K351-L355 WeakPolarHBondContact O-CG 3.49Å; K351-L355 PolarHBondContact O-N 3.3Å; N352-L355 PolarHBondContact O-N 3.42Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.34Å; L355-A358 WeakPolarHBondContact O-CB 3.44Å; L355-A358 PolarHBondContact O-N 3.43Å; L355-I359 WeakPolarHBondContact O-CG1 3.2Å; L355-I359 PolarHBondContact O-N 3.01Å |
| 356 | K | 88.1 | Confident | 84.5 | Confident | 134 Ų | 134 | 97 Ų | 97 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 174.1 | -79.7 | 179.7 | 174.8 | 178.7 | 0 | 112.2 | N352 K353 A358 I359 Q360 | N352-K356 WeakPolarHBondContact O-CB 3.26Å; N352-K356 WeakPolarHBondContact O-CG 3.46Å; N352-K356 PolarHBondContact O-N 3.5Å; N352-K356 WeakPolarHBondContact OD1-CE 3.45Å; K353-K356 PolarHBondContact O-N 3.21Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-I359 PolarHBondContact O-N 3.34Å; K356-Q360 WeakPolarHBondContact O-CB 3.15Å; K356-Q360 PolarHBondContact O-N 3.18Å |
| 357 | S | 84.7 | Confident | 84.3 | Confident | 49 Ų | 49 | 96.1 Ų | 96.1 | 34% | 0.343 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | K353 S354 L355 R361 | K353-S357 WeakPolarHBondContact O-CB 3.29Å; K353-S357 PolarHBondContact O-N 3.03Å; K353-S357 PolarHBondContact O-OG 3.37Å; S354-S357 WeakPolarHBondContact O-CB 3.49Å; S354-S357 PolarHBondContact O-N 2.74Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.34Å; S357-R361 VanDerWaalsContact O-CG 3.28Å; S357-R361 WeakPolarHBondContact O-CG 3.24Å; S357-R361 PolarHBondContact O-N 2.64Å; S357-R361 VanDerWaalsContact O-N 3.11Å |
| 358 | A | 82.3 | Confident | 84.1 | Confident | 36 Ų | 36 | 94.1 Ų | 94.1 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S354 L355 K356 Q360 R361 L362 | S354-A358 PolarHBondContact O-N 3.12Å; L355-A358 WeakPolarHBondContact O-CB 3.44Å; L355-A358 PolarHBondContact O-N 3.43Å; K356-A358 VanDerWaalsContact C-N 3.32Å; A358-Q360 PolarHBondContact O-N 3.42Å; A358-R361 PolarHBondContact O-N 3.06Å; A358-L362 WeakPolarHBondContact O-CG 3.11Å; A358-L362 PolarHBondContact O-N 2.99Å |
| 359 | I | 83.4 | Confident | 83.7 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 46% | 0.456 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 175.4 | -70.2 | 167.2 | 0 | 0 | 0 | 110.4 | L355 K356 R361 L362 E363 | L355-I359 WeakPolarHBondContact O-CG1 3.2Å; L355-I359 PolarHBondContact O-N 3.01Å; K356-I359 PolarHBondContact O-N 3.34Å; I359-R361 VanDerWaalsContact C-N 3.28Å; I359-R361 PolarHBondContact O-N 3.29Å; I359-L362 PolarHBondContact O-N 3.11Å; I359-L362 VanDerWaalsContact O-N 3.17Å; I359-E363 HydrophobicContact CG2-CG 4.15Å; I359-E363 WeakPolarHBondContact O-CB 3.03Å; I359-E363 WeakPolarHBondContact O-CG 3.46Å; I359-E363 PolarHBondContact O-N 2.86Å |
| 360 | Q | 85.4 | Confident | 83.3 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.1 | -36.6 | -179.9 | -169.9 | 177.3 | 19.4 | 0 | 0 | 112.4 | K356 A358 A364 | K356-Q360 WeakPolarHBondContact O-CB 3.15Å; K356-Q360 PolarHBondContact O-N 3.18Å; A358-Q360 PolarHBondContact O-N 3.42Å; Q360-A364 WeakPolarHBondContact O-CB 3.35Å; Q360-A364 PolarHBondContact O-N 2.86Å |
| 361 | R | 81.6 | Confident | 83 | Confident | 168 Ų | 168 | 98.6 Ų | 98.6 | 63% | 0.634 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.3 | -45.6 | 174.2 | -73.3 | 174.1 | -175.5 | -171.1 | 0.5 | 111.5 | S357 A358 I359 E363 A364 E365 L381 | S357-R361 VanDerWaalsContact O-CG 3.28Å; S357-R361 WeakPolarHBondContact O-CG 3.24Å; S357-R361 PolarHBondContact O-N 2.64Å; S357-R361 VanDerWaalsContact O-N 3.11Å; A358-R361 PolarHBondContact O-N 3.06Å; I359-R361 VanDerWaalsContact C-N 3.28Å; I359-R361 PolarHBondContact O-N 3.29Å; R361-E363 VanDerWaalsContact C-N 3.35Å; R361-E363 PolarHBondContact O-N 3.33Å; R361-A364 PolarHBondContact O-N 2.83Å; R361-E365 WeakPolarHBondContact O-CB 3.47Å; R361-E365 PolarHBondContact O-N 3.13Å; R361-L381 HydrophobicContact CB-CD1 4.04Å |
| 362 | L | 81.3 | Confident | 82.4 | Confident | 85 Ų | 85 | 97.4 Ų | 97.4 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176 | -71.9 | 168.9 | 0 | 0 | 0 | 112.2 | A358 I359 E365 L366 L381 | A358-L362 WeakPolarHBondContact O-CG 3.11Å; A358-L362 PolarHBondContact O-N 2.99Å; I359-L362 PolarHBondContact O-N 3.11Å; I359-L362 VanDerWaalsContact O-N 3.17Å; L362-E365 PolarHBondContact O-N 3.34Å; L362-L366 WeakPolarHBondContact O-CB 3.34Å; L362-L366 PolarHBondContact O-N 2.94Å; L362-L381 HydrophobicContact CD1-CD1 4.43Å; L362-L381 HydrophobicContact CD2-CB 4.47Å; L362-L381 HydrophobicContact CD2-CD1 3.52Å; L362-L381 HydrophobicContact CG-CD1 3.54Å |
| 363 | E | 84.5 | Confident | 81.9 | Confident | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 175.8 | -75.4 | 175.6 | 168.4 | 0 | 0 | 112 | I359 R361 L366 N367 | I359-E363 HydrophobicContact CG2-CG 4.15Å; I359-E363 WeakPolarHBondContact O-CB 3.03Å; I359-E363 WeakPolarHBondContact O-CG 3.46Å; I359-E363 PolarHBondContact O-N 2.86Å; R361-E363 VanDerWaalsContact C-N 3.35Å; R361-E363 PolarHBondContact O-N 3.33Å; E363-L366 PolarHBondContact O-N 2.88Å; E363-N367 WeakPolarHBondContact O-CB 3.41Å; E363-N367 PolarHBondContact O-N 3.35Å; E363-N367 PolarHBondContact O-ND2 3.2Å |
| 364 | A | 81.1 | Confident | 80.9 | Confident | 52 Ų | 52 | 98 Ų | 98 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q360 R361 N367 R368 | Q360-A364 WeakPolarHBondContact O-CB 3.35Å; Q360-A364 PolarHBondContact O-N 2.86Å; R361-A364 PolarHBondContact O-N 2.83Å; A364-N367 PolarHBondContact O-N 2.96Å; A364-R368 WeakPolarHBondContact O-CG 3.48Å; A364-R368 PolarHBondContact O-N 3.31Å; A364-R368 VanDerWaalsContact O-N 3.11Å |
| 365 | E | 80.1 | Confident | 80.1 | Confident | 36 Ų | 36 | 94.9 Ų | 94.9 | 17% | 0.168 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.1 | -52.9 | 173.5 | -176 | 176.4 | 172.5 | 0 | 0 | 110.8 | R361 L362 N367 R368 W369 V375 | R361-E365 WeakPolarHBondContact O-CB 3.47Å; R361-E365 PolarHBondContact O-N 3.13Å; L362-E365 PolarHBondContact O-N 3.34Å; E365-N367 VanDerWaalsContact C-N 3.27Å; E365-N367 PolarHBondContact O-N 3.46Å; E365-R368 WeakPolarHBondContact O-CB 3.34Å; E365-R368 PolarHBondContact O-N 2.87Å; E365-W369 PolarHBondContact O-N 3.31Å; E365-W369 PolarHBondContact OE1-NE1 3.27Å; E365-V375 HydrophobicContact CG-CB 4.49Å; E365-V375 HydrophobicContact CG-CG1 4.32Å; E365-V375 HydrophobicContact CG-CG2 4.15Å |
| 366 | L | 80.1 | Confident | 79.3 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -54.6 | -40 | 176.5 | -106.8 | 159.1 | 0 | 0 | 0 | 113.1 | L362 E363 W369 R370 | L362-L366 WeakPolarHBondContact O-CB 3.34Å; L362-L366 PolarHBondContact O-N 2.94Å; E363-L366 PolarHBondContact O-N 2.88Å; L366-W369 PolarHBondContact O-N 2.93Å; L366-R370 WeakPolarHBondContact O-CB 3.49Å; L366-R370 VanDerWaalsContact O-CG 3.28Å; L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.37Å |
| 367 | N | 83.1 | Confident | 77.9 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 178.1 | -79.7 | -23.7 | 0 | 0 | 0 | 112.5 | E363 A364 E365 R370 N371 | E363-N367 WeakPolarHBondContact O-CB 3.41Å; E363-N367 PolarHBondContact O-N 3.35Å; E363-N367 PolarHBondContact O-ND2 3.2Å; A364-N367 PolarHBondContact O-N 2.96Å; E365-N367 VanDerWaalsContact C-N 3.27Å; E365-N367 PolarHBondContact O-N 3.46Å; N367-R370 PolarHBondContact O-N 3.44Å; N367-N371 WeakPolarHBondContact O-CB 3.29Å; N367-N371 PolarHBondContact O-N 2.92Å; N367-N371 PolarHBondContact O-ND2 3.35Å |
| 368 | R | 79.6 | Confident | 76.6 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 174.5 | -68.8 | -179.3 | 98.5 | -178.4 | 9.1 | 111 | A364 E365 R370 N371 G372 E373 V375 E379 | A364-R368 WeakPolarHBondContact O-CG 3.48Å; A364-R368 PolarHBondContact O-N 3.31Å; A364-R368 VanDerWaalsContact O-N 3.11Å; E365-R368 WeakPolarHBondContact O-CB 3.34Å; E365-R368 PolarHBondContact O-N 2.87Å; R368-R370 VanDerWaalsContact C-N 3.33Å; R368-R370 PolarHBondContact O-N 3.44Å; R368-N371 PolarHBondContact O-N 3.22Å; R368-N371 VanDerWaalsContact O-N 3.12Å; R368-G372 PolarHBondContact O-N 3.45Å; R368-E373 HydrophobicContact CB-CB 4.19Å; R368-E373 IonicContact CZ-OE2 3.99Å; R368-E373 IonicContact NE-OE2 3.58Å; R368-E373 PolarHBondContact NE-OE2 2.93Å; R368-E373 VanDerWaalsContact NE-OE2 3.08Å; R368-E373 IonicContact NH2-OE2 2.86Å; R368-E373 PolarHBondContact O-N 3.13Å; R368-V375 HydrophobicContact CB-CG2 3.86Å; R368-E379 IonicContact NH1-OE2 3.19Å; R368-E379 PolarHBondContact NH1-OE2 2.74Å |
| 369 | W | 77.3 | Confident | 75.5 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.7 | -44.8 | 172.4 | -72.2 | 111.4 | 0 | 0 | 0 | 112.2 | E365 L366 N371 G372 V375 | E365-W369 PolarHBondContact O-N 3.31Å; E365-W369 PolarHBondContact OE1-NE1 3.27Å; L366-W369 PolarHBondContact O-N 2.93Å; W369-N371 VanDerWaalsContact C-N 3.29Å; W369-N371 PolarHBondContact O-N 2.74Å; W369-G372 PolarHBondContact O-N 2.79Å; W369-G372 VanDerWaalsContact O-N 3.14Å; W369-V375 HydrophobicContact CZ2-CB 4.24Å |
| 370 | R | 80.9 | Confident | 74.4 | Confident | 190 Ų | 190 | 101 Ų | 101 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.7 | -27.9 | 177.2 | -76.4 | 174.3 | 176 | -179.1 | -1 | 113.9 | L366 N367 R368 G372 | L366-R370 WeakPolarHBondContact O-CB 3.49Å; L366-R370 VanDerWaalsContact O-CG 3.28Å; L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.37Å; N367-R370 PolarHBondContact O-N 3.44Å; R368-R370 VanDerWaalsContact C-N 3.33Å; R368-R370 PolarHBondContact O-N 3.44Å; R370-G372 VanDerWaalsContact C-N 3.28Å |
| 371 | N | 81.2 | Confident | 73.1 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 66% | 0.663 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.2 | 176.1 | -69.2 | -19.8 | 0 | 0 | 0 | 113.2 | N367 R368 W369 E373 | N367-N371 WeakPolarHBondContact O-CB 3.29Å; N367-N371 PolarHBondContact O-N 2.92Å; N367-N371 PolarHBondContact O-ND2 3.35Å; R368-N371 PolarHBondContact O-N 3.22Å; R368-N371 VanDerWaalsContact O-N 3.12Å; W369-N371 VanDerWaalsContact C-N 3.29Å; W369-N371 PolarHBondContact O-N 2.74Å; N371-E373 VanDerWaalsContact C-N 3.34Å |
| 372 | G | 71.2 | Confident | 71.7 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 74% | 0.742 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 13.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R368 W369 R370 | R368-G372 PolarHBondContact O-N 3.45Å; W369-G372 PolarHBondContact O-N 2.79Å; W369-G372 VanDerWaalsContact O-N 3.14Å; R370-G372 VanDerWaalsContact C-N 3.28Å |
| 373 | E | 74.8 | Confident | 70.1 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 136.9 | 173.4 | -64 | 178.7 | -165.4 | 0 | 0 | 110.2 | R368 N371 | R368-E373 HydrophobicContact CB-CB 4.19Å; R368-E373 IonicContact CZ-OE2 3.99Å; R368-E373 IonicContact NE-OE2 3.58Å; R368-E373 PolarHBondContact NE-OE2 2.93Å; R368-E373 VanDerWaalsContact NE-OE2 3.08Å; R368-E373 IonicContact NH2-OE2 2.86Å; R368-E373 PolarHBondContact O-N 3.13Å; N371-E373 VanDerWaalsContact C-N 3.34Å |
| 374 | N | 68.9 | Low | 68.3 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 130.1 | 172.7 | -163.9 | -28.8 | 0 | 0 | 0 | 109.6 | R380 | N374-R380 PolarHBondContact OD1-NH2 2.78Å; N374-R380 VanDerWaalsContact OD1-NH2 3.14Å |
| 375 | V | 68.1 | Low | 66.6 | Low | 4 Ų | 4 | 99.5 Ų | 99.5 | 2% | 0.024 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 120 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | E365 R368 W369 E379 R380 | E365-V375 HydrophobicContact CG-CB 4.49Å; E365-V375 HydrophobicContact CG-CG1 4.32Å; E365-V375 HydrophobicContact CG-CG2 4.15Å; R368-V375 HydrophobicContact CB-CG2 3.86Å; W369-V375 HydrophobicContact CZ2-CB 4.24Å; V375-E379 HydrophobicContact CG1-CB 3.95Å; V375-R380 HydrophobicContact CB-CG 4.45Å; V375-R380 HydrophobicContact CG1-CG 4.08Å; V375-R380 VanDerWaalsContact O-CZ 3.27Å; V375-R380 PolarHBondContact O-NE 2.99Å; V375-R380 PolarHBondContact O-NH2 3.11Å |
| 376 | P | 66.7 | Low | 64.9 | Low | 57 Ų | 57 | 104 Ų | 104 | 37% | 0.37 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 144.7 | 178.8 | -24.2 | 33.4 | 0 | 0 | 0 | 112.4 | E378 E379 R380 | P376-E378 PolarHBondContact O-N 2.96Å; P376-E378 VanDerWaalsContact O-N 3.13Å; P376-E379 PolarHBondContact O-N 2.61Å; P376-R380 WeakPolarHBondContact O-CG 3.45Å; P376-R380 PolarHBondContact O-N 2.94Å |
| 377 | E | 59.5 | Low | 63 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.6 | -177.3 | -76.6 | -163.2 | 159.8 | 0 | 0 | 113.7 | E379 R380 | E377-E379 VanDerWaalsContact C-N 3.33Å; E377-R380 IonicContact OE1-NH1 2.58Å |
| 378 | E | 57.4 | Low | 60.9 | Low | 176 Ų | 176 | 111.6 Ų | 111.6 | 82% | 0.822 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -20.4 | 175.1 | -52.9 | 95.5 | 171 | 0 | 0 | 113.8 | P376 | P376-E378 PolarHBondContact O-N 2.96Å; P376-E378 VanDerWaalsContact O-N 3.13Å |
| 379 | E | 58.7 | Low | 58.9 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -16.2 | 177.9 | -69.2 | -171.3 | 177.2 | 0 | 0 | 113 | R368 V375 P376 E377 | R368-E379 IonicContact NH1-OE2 3.19Å; R368-E379 PolarHBondContact NH1-OE2 2.74Å; V375-E379 HydrophobicContact CG1-CB 3.95Å; P376-E379 PolarHBondContact O-N 2.61Å; E377-E379 VanDerWaalsContact C-N 3.33Å |
| 380 | R | 60.1 | Low | 56.9 | Low | 74 Ų | 74 | 117.2 Ų | 117.2 | 28% | 0.279 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -67.1 | 138.7 | 172.7 | -62.3 | 178.6 | -166.2 | 172.5 | 0.9 | 109 | N374 V375 P376 E377 S382 | N374-R380 PolarHBondContact OD1-NH2 2.78Å; N374-R380 VanDerWaalsContact OD1-NH2 3.14Å; V375-R380 HydrophobicContact CB-CG 4.45Å; V375-R380 HydrophobicContact CG1-CG 4.08Å; V375-R380 VanDerWaalsContact O-CZ 3.27Å; V375-R380 PolarHBondContact O-NE 2.99Å; V375-R380 PolarHBondContact O-NH2 3.11Å; P376-R380 WeakPolarHBondContact O-CG 3.45Å; P376-R380 PolarHBondContact O-N 2.94Å; E377-R380 IonicContact OE1-NH1 2.58Å; R380-S382 PolarHBondContact O-N 3.18Å |
| 381 | L | 58.4 | Low | 54.6 | Low | 66 Ų | 66 | 116.1 Ų | 116.1 | 35% | 0.346 | 60% | 0.599 | S | S | . | * | trans | -61.1 | 102.8 | 172 | -85.1 | 157 | 0 | 0 | 0 | 109.1 | R361 L362 | R361-L381 HydrophobicContact CB-CD1 4.04Å; L362-L381 HydrophobicContact CD1-CD1 4.43Å; L362-L381 HydrophobicContact CD2-CB 4.47Å; L362-L381 HydrophobicContact CD2-CD1 3.52Å; L362-L381 HydrophobicContact CG-CD1 3.54Å | ||
| 382 | S | 52.1 | Low | 52.3 | Low | 63 Ų | 63 | 121.7 Ų | 121.7 | 44% | 0.441 | 61% | 0.612 | S | S | . | * | trans | -57.9 | 138 | -177.9 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | R380 K384 D385 | R380-S382 PolarHBondContact O-N 3.18Å; S382-K384 PolarHBondContact O-N 3.37Å; S382-K384 PolarHBondContact OG-N 2.92Å; S382-D385 PolarHBondContact O-N 3.26Å; S382-D385 VanDerWaalsContact O-N 3.07Å | ||
| 383 | S | 48.8 | Very low | 50.6 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -52.2 | -9.2 | 168.2 | -24 | 0 | 0 | 0 | 0 | 114 | Q386 | S383-Q386 PolarHBondContact O-N 2.83Š|
| 384 | K | 45.4 | Very low | 48.9 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -70.5 | -24.7 | 173.5 | -75.4 | -179.8 | 177.9 | 171.6 | 0 | 114.2 | S382 Q386 | S382-K384 PolarHBondContact O-N 3.37Å; S382-K384 PolarHBondContact OG-N 2.92Å; K384-Q386 VanDerWaalsContact C-N 3.25Å; K384-Q386 PolarHBondContact O-N 3.36Å |
| 385 | D | 46.8 | Very low | 47.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -81.3 | -5.1 | 173.6 | -77.4 | -23.4 | 0 | 0 | 0 | 112.9 | S382 | S382-D385 PolarHBondContact O-N 3.26Å; S382-D385 VanDerWaalsContact O-N 3.07Å |
| 386 | Q | 44 | Very low | 45.9 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -100.1 | 18.8 | 178.5 | -78.5 | 177.9 | -14.8 | 0 | 0 | 114.2 | S383 K384 S388 I389 | S383-Q386 PolarHBondContact O-N 2.83Å; K384-Q386 VanDerWaalsContact C-N 3.25Å; K384-Q386 PolarHBondContact O-N 3.36Å; Q386-S388 PolarHBondContact O-N 2.96Å; Q386-I389 PolarHBondContact O-N 3.42Å; Q386-I389 VanDerWaalsContact O-N 3.09Å |
| 387 | R | 40.1 | Very low | 44.6 | Very low | 218 Ų | 218 | 136.6 Ų | 136.6 | 82% | 0.823 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 38.2 | 177.1 | -81.5 | -171.3 | 175.6 | -178.7 | -1.1 | 115.2 | ||
| 388 | S | 39.6 | Very low | 43.6 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.9 | 14.7 | 161.1 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | Q386 | Q386-S388 PolarHBondContact O-N 2.96Š|
| 389 | I | 36.8 | Very low | 42.9 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -131.9 | 135.2 | 171 | -56.7 | 178.8 | 0 | 0 | 0 | 108.4 | Q386 | Q386-I389 PolarHBondContact O-N 3.42Å; Q386-I389 VanDerWaalsContact O-N 3.09Å |
| 390 | E | 34.8 | Very low | 41.9 | Very low | 190 Ų | 190 | 137.9 Ų | 137.9 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -58.7 | 147.4 | -163.5 | -64.4 | 172.9 | 157.6 | 0 | 0 | 114.9 | ||||
| 391 | Q | 33.3 | Very low | 40.6 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | -72.8 | 132.2 | -174.7 | -68.7 | 173.2 | -63.2 | 0 | 0 | 113.3 | ||||
| 392 | Y | 32.6 | Very low | 39.8 | Very low | 240 Ų | 240 | 144.9 Ų | 144.9 | 94% | 0.941 | 75% | 0.752 | S | S | * | * | trans | -135.3 | 100 | 142.5 | -84.3 | -82.2 | 0 | 0 | 0 | 108.5 | ||||
| 393 | D | 35.9 | Very low | 39.5 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -77.7 | 135.7 | 171.5 | -102.3 | -32 | 0 | 0 | 0 | 109.9 | ||||
| 394 | N | 39.5 | Very low | 39.5 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 177.7 | 101.1 | 131.8 | -91.7 | -21 | 0 | 0 | 0 | 111.3 | ||||
| 395 | T | 32.8 | Very low | 39.7 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -156.9 | 129.4 | 143.6 | -27.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 396 | P | 39.6 | Very low | 39.5 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -80.3 | 140.7 | 174.9 | 31.3 | -31 | 0 | 0 | 0 | 111.5 | ||||
| 397 | I | 41.3 | Very low | 39.8 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 132.6 | 172.5 | -63.1 | 166.1 | 0 | 0 | 0 | 108.7 | ||||
| 398 | I | 38.3 | Very low | 40.2 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -116.9 | 99.6 | 164.5 | -59.3 | 178.1 | 0 | 0 | 0 | 107.9 | ||||
| 399 | D | 41 | Very low | 41.3 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -83.1 | 126 | 160.1 | -101 | -27.9 | 0 | 0 | 0 | 108.9 | ||||
| 400 | N | 38.1 | Very low | 42.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 155.1 | 112.6 | 137.2 | -81.5 | -38.8 | 0 | 0 | 0 | 112.2 | ||||
| 401 | L | 33 | Very low | 43.5 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 93% | 0.932 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 126.8 | 155.5 | -109.5 | 89.4 | 0 | 0 | 0 | 109.4 | ||
| 402 | P | 41 | Very low | 44.7 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 163.8 | 153 | 16.6 | 2.4 | 0 | 0 | 0 | 111.8 | ||
| 403 | P | 47 | Very low | 46.2 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 160.3 | -164.1 | 32 | -34.2 | 0 | 0 | 0 | 114.2 | ||
| 404 | A | 48.4 | Very low | 47.8 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 91% | 0.909 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -52.6 | 133.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 405 | G | 49 | Very low | 49.2 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 88% | 0.876 | 70% | 0.698 | S | S | * | * | trans | 136.7 | 81.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 406 | G | 42.6 | Very low | 51.1 | Low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -175.6 | 139.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V408 | G406-V408 PolarHBondContact O-N 2.99Å; G406-V408 VanDerWaalsContact O-N 3.12Å |
| 407 | D | 50.2 | Low | 52.7 | Low | 173 Ų | 173 | 120 Ų | 120 | 93% | 0.925 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 113 | 177.9 | -126.8 | -16 | 0 | 0 | 0 | 109.6 | S409 | D407-S409 PolarHBondContact O-N 3.49Š| ||
| 408 | V | 50.3 | Low | 54.3 | Low | 61 Ų | 61 | 117.4 Ų | 117.4 | 37% | 0.37 | 66% | 0.663 | S | S | . | * | trans | -69.2 | 120.6 | -175.7 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | G406 E412 R413 | G406-V408 PolarHBondContact O-N 2.99Å; G406-V408 VanDerWaalsContact O-N 3.12Å; V408-E412 HydrophobicContact CG1-CB 3.58Å; V408-R413 HydrophobicContact CG1-CG 3.87Å | ||
| 409 | S | 62.3 | Low | 56 | Low | 51 Ų | 51 | 113.9 Ų | 113.9 | 36% | 0.357 | 65% | 0.646 | S | S | . | * | trans | -63.6 | 151 | 178.5 | 66 | 0 | 0 | 0 | 0 | 110.7 | D407 E411 E412 R413 | D407-S409 PolarHBondContact O-N 3.49Å; S409-E411 PolarHBondContact O-N 3.24Å; S409-E412 PolarHBondContact N-OE2 2.9Å; S409-E412 PolarHBondContact O-N 2.92Å; S409-E412 VanDerWaalsContact O-N 3.12Å; S409-E412 WeakPolarHBondContact OG-CG 3.16Å; S409-E412 PolarHBondContact OG-OE2 3.42Å; S409-R413 PolarHBondContact O-N 3.22Å | ||
| 410 | N | 58.8 | Low | 57.6 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.2 | -18.3 | 180 | -88.5 | -18.6 | 0 | 0 | 0 | 113.5 | K414 | N410-K414 PolarHBondContact O-N 3.01Å |
| 411 | E | 59 | Low | 59.5 | Low | 161 Ų | 161 | 111.8 Ų | 111.8 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.6 | -36.7 | 179 | -68.4 | 173.5 | 167.1 | 0 | 0 | 112.2 | S409 K414 T415 | S409-E411 PolarHBondContact O-N 3.24Å; E411-K414 PolarHBondContact O-N 3.04Å; E411-T415 PolarHBondContact O-N 2.89Å; E411-T415 VanDerWaalsContact O-N 3.14Å; E411-T415 PolarHBondContact O-OG1 3.11Å; E411-T415 VanDerWaalsContact O-OG1 3.07Å |
| 412 | E | 57.8 | Low | 61.7 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 44% | 0.444 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70.1 | -38 | 174.5 | -71.4 | 164.2 | 143.9 | 0 | 0 | 111.5 | V408 S409 K414 T415 F416 | V408-E412 HydrophobicContact CG1-CB 3.58Å; S409-E412 PolarHBondContact N-OE2 2.9Å; S409-E412 PolarHBondContact O-N 2.92Å; S409-E412 VanDerWaalsContact O-N 3.12Å; S409-E412 WeakPolarHBondContact OG-CG 3.16Å; S409-E412 PolarHBondContact OG-OE2 3.42Å; E412-K414 VanDerWaalsContact C-N 3.26Å; E412-K414 PolarHBondContact O-N 3.09Å; E412-T415 VanDerWaalsContact CA-OG1 3.29Å; E412-T415 WeakPolarHBondContact CA-OG1 3.36Å; E412-T415 PolarHBondContact O-N 3.16Å; E412-T415 PolarHBondContact O-OG1 2.81Å; E412-F416 HydrophobicContact CB-CE2 4.33Å; E412-F416 WeakPolarHBondContact O-CD2 3.29Å; E412-F416 WeakPolarHBondContact O-CG 3.4Å; E412-F416 PolarHBondContact O-N 3.43Å; E412-F416 VanDerWaalsContact O-N 3.09Å |
| 413 | R | 64.6 | Low | 63.4 | Low | 149 Ų | 149 | 107.6 Ų | 107.6 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.7 | -37.3 | 172.3 | -85.3 | -177 | 173.7 | 154.9 | 1.5 | 112.8 | V408 S409 E417 | V408-R413 HydrophobicContact CG1-CG 3.87Å; S409-R413 PolarHBondContact O-N 3.22Å; R413-E417 PolarHBondContact O-N 2.84Å |
| 414 | K | 69.1 | Low | 64.9 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.6 | -37.8 | -177.5 | -148.4 | 178.3 | -175 | -174.5 | 0 | 112.1 | N410 E411 E412 E417 D418 | N410-K414 PolarHBondContact O-N 3.01Å; E411-K414 PolarHBondContact O-N 3.04Å; E412-K414 VanDerWaalsContact C-N 3.26Å; E412-K414 PolarHBondContact O-N 3.09Å; K414-E417 PolarHBondContact O-N 3.18Å; K414-D418 PolarHBondContact O-N 3.28Å; K414-D418 VanDerWaalsContact O-N 3.07Å |
| 415 | T | 69.6 | Low | 66.5 | Low | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.2 | -43.3 | 174.1 | 39.8 | 0 | 0 | 0 | 0 | 111.5 | E411 E412 E417 D418 D419 | E411-T415 PolarHBondContact O-N 2.89Å; E411-T415 VanDerWaalsContact O-N 3.14Å; E411-T415 PolarHBondContact O-OG1 3.11Å; E411-T415 VanDerWaalsContact O-OG1 3.07Å; E412-T415 VanDerWaalsContact CA-OG1 3.29Å; E412-T415 WeakPolarHBondContact CA-OG1 3.36Å; E412-T415 PolarHBondContact O-N 3.16Å; E412-T415 PolarHBondContact O-OG1 2.81Å; T415-E417 VanDerWaalsContact C-N 3.35Å; T415-E417 PolarHBondContact O-N 3.2Å; T415-D418 PolarHBondContact O-N 3.36Å; T415-D419 PolarHBondContact O-N 3.11Å |
| 416 | F | 71.8 | Confident | 68.1 | Low | 125 Ų | 125 | 111.3 Ų | 111.3 | 55% | 0.548 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -36.9 | 173.3 | -67.8 | -52.9 | 0 | 0 | 0 | 113.4 | E412 D419 I420 | E412-F416 HydrophobicContact CB-CE2 4.33Å; E412-F416 WeakPolarHBondContact O-CD2 3.29Å; E412-F416 WeakPolarHBondContact O-CG 3.4Å; E412-F416 PolarHBondContact O-N 3.43Å; E412-F416 VanDerWaalsContact O-N 3.09Å; F416-D419 PolarHBondContact O-N 2.86Å; F416-I420 WeakPolarHBondContact O-CB 3.2Å; F416-I420 WeakPolarHBondContact O-CD1 3.39Å; F416-I420 WeakPolarHBondContact O-CG1 3.25Å; F416-I420 PolarHBondContact O-N 3.34Å |
| 417 | E | 72.6 | Confident | 69.8 | Low | 112 Ų | 112 | 112.9 Ų | 112.9 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 174.7 | -82.4 | -176.1 | 178.9 | 0 | 0 | 113.1 | R413 K414 T415 R421 | R413-E417 PolarHBondContact O-N 2.84Å; K414-E417 PolarHBondContact O-N 3.18Å; T415-E417 VanDerWaalsContact C-N 3.35Å; T415-E417 PolarHBondContact O-N 3.2Å; E417-R421 PolarHBondContact O-N 3.23Å; E417-R421 VanDerWaalsContact O-N 3.13Å |
| 418 | D | 75.1 | Confident | 71.4 | Confident | 70 Ų | 70 | 109.5 Ų | 109.5 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.4 | -36.1 | 177.2 | -72.8 | -24.8 | 0 | 0 | 0 | 111.4 | K414 T415 R421 N422 | K414-D418 PolarHBondContact O-N 3.28Å; K414-D418 VanDerWaalsContact O-N 3.07Å; T415-D418 PolarHBondContact O-N 3.36Å; D418-R421 PolarHBondContact O-N 2.82Å; D418-R421 IonicContact OD1-CZ 3.46Å; D418-R421 IonicContact OD1-NH1 3.33Å; D418-R421 PolarHBondContact OD1-NH1 3.39Å; D418-R421 IonicContact OD1-NH2 3.45Å; D418-R421 PolarHBondContact OD1-NH2 3.28Å; D418-N422 PolarHBondContact O-N 2.7Å |
| 419 | D | 74.9 | Confident | 72.9 | Confident | 89 Ų | 89 | 110.5 Ų | 110.5 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 173.8 | -73.2 | -19.6 | 0 | 0 | 0 | 112.2 | T415 F416 R421 N422 L423 | T415-D419 PolarHBondContact O-N 3.11Å; F416-D419 PolarHBondContact O-N 2.86Å; D419-R421 VanDerWaalsContact C-N 3.3Å; D419-R421 PolarHBondContact O-N 2.91Å; D419-N422 PolarHBondContact O-N 3.05Å; D419-L423 WeakPolarHBondContact O-CG 3.36Å; D419-L423 PolarHBondContact O-N 2.71Å |
| 420 | I | 74.8 | Confident | 73.8 | Confident | 88 Ų | 88 | 113.2 Ų | 113.2 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.2 | -73.1 | 169 | 0 | 0 | 0 | 110.3 | F416 L423 Y424 | F416-I420 WeakPolarHBondContact O-CB 3.2Å; F416-I420 WeakPolarHBondContact O-CD1 3.39Å; F416-I420 WeakPolarHBondContact O-CG1 3.25Å; F416-I420 PolarHBondContact O-N 3.34Å; I420-L423 PolarHBondContact O-N 2.89Å; I420-Y424 HydrophobicContact CG2-CD2 3.62Å; I420-Y424 HydrophobicContact CG2-CE2 3.37Å; I420-Y424 WeakPolarHBondContact O-CD2 3.32Å; I420-Y424 PolarHBondContact O-N 3.44Å |
| 421 | R | 78 | Confident | 75.1 | Confident | 148 Ų | 148 | 110.8 Ų | 110.8 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 175.9 | -90.1 | -174.3 | -106.9 | 149.5 | 0.4 | 112.7 | E417 D418 D419 Y424 K425 | E417-R421 PolarHBondContact O-N 3.23Å; E417-R421 VanDerWaalsContact O-N 3.13Å; D418-R421 PolarHBondContact O-N 2.82Å; D418-R421 IonicContact OD1-CZ 3.46Å; D418-R421 IonicContact OD1-NH1 3.33Å; D418-R421 PolarHBondContact OD1-NH1 3.39Å; D418-R421 IonicContact OD1-NH2 3.45Å; D418-R421 PolarHBondContact OD1-NH2 3.28Å; D419-R421 VanDerWaalsContact C-N 3.3Å; D419-R421 PolarHBondContact O-N 2.91Å; R421-Y424 PolarHBondContact O-N 3.43Å; R421-K425 PolarHBondContact O-N 2.95Å; R421-K425 VanDerWaalsContact O-N 3.08Å |
| 422 | N | 77.9 | Confident | 76.5 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.5 | -80.2 | -30.6 | 0 | 0 | 0 | 112.2 | D418 D419 K425 Q426 | D418-N422 PolarHBondContact O-N 2.7Å; D419-N422 PolarHBondContact O-N 3.05Å; N422-K425 PolarHBondContact O-N 3.05Å; N422-Q426 WeakPolarHBondContact O-CG 3.08Å; N422-Q426 PolarHBondContact O-N 2.85Å |
| 423 | L | 78.1 | Confident | 77.8 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 175.7 | -76.1 | 166.1 | 0 | 0 | 0 | 112.1 | D419 I420 K425 Q426 L427 | D419-L423 WeakPolarHBondContact O-CG 3.36Å; D419-L423 PolarHBondContact O-N 2.71Å; I420-L423 PolarHBondContact O-N 2.89Å; L423-K425 VanDerWaalsContact C-N 3.3Å; L423-K425 PolarHBondContact O-N 2.98Å; L423-Q426 PolarHBondContact O-N 3.31Å; L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 PolarHBondContact O-N 3.41Å |
| 424 | Y | 77.6 | Confident | 78.9 | Confident | 151 Ų | 151 | 104.8 Ų | 104.8 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 173.9 | -81.5 | -64 | 0 | 0 | 0 | 112 | I420 R421 L427 D428 | I420-Y424 HydrophobicContact CG2-CD2 3.62Å; I420-Y424 HydrophobicContact CG2-CE2 3.37Å; I420-Y424 WeakPolarHBondContact O-CD2 3.32Å; I420-Y424 PolarHBondContact O-N 3.44Å; R421-Y424 PolarHBondContact O-N 3.43Å; Y424-L427 WeakPolarHBondContact O-CB 3.37Å; Y424-L427 PolarHBondContact O-N 2.88Å; Y424-D428 PolarHBondContact O-N 3.33Å |
| 425 | K | 82.5 | Confident | 79.8 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 176 | -171.4 | -179.1 | 176.4 | -172.1 | 0 | 112.6 | R421 N422 L423 L427 D428 D429 | R421-K425 PolarHBondContact O-N 2.95Å; R421-K425 VanDerWaalsContact O-N 3.08Å; N422-K425 PolarHBondContact O-N 3.05Å; L423-K425 VanDerWaalsContact C-N 3.3Å; L423-K425 PolarHBondContact O-N 2.98Å; K425-L427 VanDerWaalsContact C-N 3.26Å; K425-L427 PolarHBondContact O-N 3.32Å; K425-D428 PolarHBondContact O-N 3.04Å; K425-D429 VanDerWaalsContact O-CG 3.27Å; K425-D429 PolarHBondContact O-N 3.37Å |
| 426 | Q | 81.9 | Confident | 80.7 | Confident | 120 Ų | 120 | 105.1 Ų | 105.1 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.5 | -33 | 175.3 | -74.2 | 179.3 | 16.5 | 0 | 0 | 112.2 | N422 L423 K430 | N422-Q426 WeakPolarHBondContact O-CG 3.08Å; N422-Q426 PolarHBondContact O-N 2.85Å; L423-Q426 PolarHBondContact O-N 3.31Å; Q426-K430 WeakPolarHBondContact O-CB 3.48Å; Q426-K430 WeakPolarHBondContact O-CG 3.48Å; Q426-K430 PolarHBondContact O-N 2.97Å |
| 427 | L | 79.6 | Confident | 81.4 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 175.6 | -168.2 | 65.5 | 0 | 0 | 0 | 111.1 | L423 Y424 K425 D429 K430 D431 | L423-L427 WeakPolarHBondContact O-CB 3.47Å; L423-L427 PolarHBondContact O-N 3.41Å; Y424-L427 WeakPolarHBondContact O-CB 3.37Å; Y424-L427 PolarHBondContact O-N 2.88Å; K425-L427 VanDerWaalsContact C-N 3.26Å; K425-L427 PolarHBondContact O-N 3.32Å; L427-D429 PolarHBondContact O-N 2.82Å; L427-K430 PolarHBondContact O-N 3.41Å; L427-D431 PolarHBondContact O-N 2.74Å |
| 428 | D | 83.6 | Confident | 82.1 | Confident | 102 Ų | 102 | 103 Ų | 103 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.3 | -74.1 | -14.8 | 0 | 0 | 0 | 111.4 | Y424 K425 K430 D431 D432 | Y424-D428 PolarHBondContact O-N 3.33Å; K425-D428 PolarHBondContact O-N 3.04Å; D428-K430 VanDerWaalsContact C-N 3.27Å; D428-K430 PolarHBondContact O-N 3.39Å; D428-D431 PolarHBondContact O-N 2.91Å; D428-D432 PolarHBondContact O-N 3.02Å |
| 429 | D | 82.3 | Confident | 82.8 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 177.4 | -67.9 | -25.3 | 0 | 0 | 0 | 111.5 | K425 L427 E433 | K425-D429 VanDerWaalsContact O-CG 3.27Å; K425-D429 PolarHBondContact O-N 3.37Å; L427-D429 PolarHBondContact O-N 2.82Å; D429-E433 PolarHBondContact O-N 3.48Å; D429-E433 VanDerWaalsContact O-N 3.09Å |
| 430 | K | 81.2 | Confident | 83.5 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | 177.1 | -73.2 | -73 | 162.6 | -159.5 | 0 | 112.8 | Q426 L427 D428 D432 E433 I434 | Q426-K430 WeakPolarHBondContact O-CB 3.48Å; Q426-K430 WeakPolarHBondContact O-CG 3.48Å; Q426-K430 PolarHBondContact O-N 2.97Å; L427-K430 PolarHBondContact O-N 3.41Å; D428-K430 VanDerWaalsContact C-N 3.27Å; D428-K430 PolarHBondContact O-N 3.39Å; K430-D432 VanDerWaalsContact C-N 3.3Å; K430-E433 IonicContact NZ-OE1 3.76Å; K430-E433 PolarHBondContact NZ-OE1 2.86Å; K430-E433 IonicContact NZ-OE2 3.08Å; K430-E433 PolarHBondContact NZ-OE2 3.08Å; K430-E433 PolarHBondContact O-N 3.32Å; K430-I434 VanDerWaalsContact O-CG1 3.29Å; K430-I434 WeakPolarHBondContact O-CG1 3.46Å; K430-I434 PolarHBondContact O-N 2.91Å |
| 431 | D | 85.1 | Confident | 84 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 173.4 | -83.8 | -19.9 | 0 | 0 | 0 | 111.3 | L427 D428 I434 N435 | L427-D431 PolarHBondContact O-N 2.74Å; D428-D431 PolarHBondContact O-N 2.91Å; D431-I434 PolarHBondContact O-N 3.35Å; D431-N435 PolarHBondContact O-N 2.9Å |
| 432 | D | 87.8 | Confident | 84.6 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 172.3 | -81.5 | -15.8 | 0 | 0 | 0 | 112.2 | D428 K430 N435 Q436 | D428-D432 PolarHBondContact O-N 3.02Å; K430-D432 VanDerWaalsContact C-N 3.3Å; D432-N435 PolarHBondContact O-N 2.99Å; D432-Q436 WeakPolarHBondContact O-CG 3.4Å; D432-Q436 PolarHBondContact O-N 3.49Å |
| 433 | E | 85.9 | Confident | 85.2 | Confident | 86 Ų | 86 | 106.2 Ų | 106.2 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 173 | -77.4 | 179.4 | -171.7 | 0 | 0 | 111.7 | D429 K430 N435 Q436 H437 | D429-E433 PolarHBondContact O-N 3.48Å; D429-E433 VanDerWaalsContact O-N 3.09Å; K430-E433 IonicContact NZ-OE1 3.76Å; K430-E433 PolarHBondContact NZ-OE1 2.86Å; K430-E433 IonicContact NZ-OE2 3.08Å; K430-E433 PolarHBondContact NZ-OE2 3.08Å; K430-E433 PolarHBondContact O-N 3.32Å; E433-N435 VanDerWaalsContact C-N 3.3Å; E433-N435 PolarHBondContact O-N 3.15Å; E433-Q436 PolarHBondContact O-N 3.3Å; E433-H437 PolarHBondContact O-CD2 3.25Å; E433-H437 PolarHBondContact O-N 2.88Å |
| 434 | I | 87.3 | Confident | 85.6 | Confident | 98 Ų | 98 | 105.3 Ų | 105.3 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.3 | -71.2 | 166.8 | 0 | 0 | 0 | 110.9 | K430 D431 H437 S438 | K430-I434 VanDerWaalsContact O-CG1 3.29Å; K430-I434 WeakPolarHBondContact O-CG1 3.46Å; K430-I434 PolarHBondContact O-N 2.91Å; D431-I434 PolarHBondContact O-N 3.35Å; I434-H437 PolarHBondContact O-N 3.21Å; I434-S438 WeakPolarHBondContact O-CB 3.33Å; I434-S438 PolarHBondContact O-N 2.88Å; I434-S438 PolarHBondContact O-OG 3.47Å |
| 435 | N | 87.4 | Confident | 86.2 | Confident | 91 Ų | 91 | 104.9 Ų | 104.9 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.6 | -87.2 | -29.8 | 0 | 0 | 0 | 112.1 | D431 D432 E433 S438 Q439 | D431-N435 PolarHBondContact O-N 2.9Å; D432-N435 PolarHBondContact O-N 2.99Å; E433-N435 VanDerWaalsContact C-N 3.3Å; E433-N435 PolarHBondContact O-N 3.15Å; N435-S438 PolarHBondContact O-N 2.93Å; N435-Q439 WeakPolarHBondContact O-CG 3.48Å; N435-Q439 PolarHBondContact O-N 3.25Å |
| 436 | Q | 89.1 | Confident | 86.6 | Confident | 129 Ų | 129 | 104.8 Ų | 104.8 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 176.2 | -70.8 | 175.5 | 25.8 | 0 | 0 | 111.9 | D432 E433 S438 Q439 L440 | D432-Q436 WeakPolarHBondContact O-CG 3.4Å; D432-Q436 PolarHBondContact O-N 3.49Å; E433-Q436 PolarHBondContact O-N 3.3Å; Q436-S438 VanDerWaalsContact C-N 3.33Å; Q436-S438 PolarHBondContact O-N 3.43Å; Q436-Q439 PolarHBondContact O-N 2.75Å; Q436-L440 WeakPolarHBondContact O-CB 3.49Å; Q436-L440 PolarHBondContact O-N 2.93Å |
| 437 | H | 86.8 | Confident | 86.9 | Confident | 129 Ų | 129 | 104.6 Ų | 104.6 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -38.3 | 177.2 | -79.8 | -125.6 | 0 | 0 | 0 | 111.9 | E433 I434 L440 A441 | E433-H437 PolarHBondContact O-CD2 3.25Å; E433-H437 PolarHBondContact O-N 2.88Å; I434-H437 PolarHBondContact O-N 3.21Å; H437-L440 PolarHBondContact O-N 3.23Å; H437-A441 WeakPolarHBondContact O-CB 3.38Å; H437-A441 PolarHBondContact O-N 2.9Å |
| 438 | S | 87.9 | Confident | 87.2 | Confident | 64 Ų | 64 | 105.4 Ų | 105.4 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | I434 N435 Q436 L440 A441 E442 | I434-S438 WeakPolarHBondContact O-CB 3.33Å; I434-S438 PolarHBondContact O-N 2.88Å; I434-S438 PolarHBondContact O-OG 3.47Å; N435-S438 PolarHBondContact O-N 2.93Å; Q436-S438 VanDerWaalsContact C-N 3.33Å; Q436-S438 PolarHBondContact O-N 3.43Å; S438-L440 VanDerWaalsContact C-N 3.32Å; S438-L440 PolarHBondContact O-N 3.01Å; S438-A441 PolarHBondContact O-N 3.02Å; S438-E442 PolarHBondContact O-N 3.23Å |
| 439 | Q | 89.2 | Confident | 87.5 | Confident | 125 Ų | 125 | 105.3 Ų | 105.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | 174.7 | -70.9 | 177 | 13.4 | 0 | 0 | 112.3 | N435 Q436 E442 K443 | N435-Q439 WeakPolarHBondContact O-CG 3.48Å; N435-Q439 PolarHBondContact O-N 3.25Å; Q436-Q439 PolarHBondContact O-N 2.75Å; Q439-E442 PolarHBondContact O-N 2.92Å; Q439-K443 WeakPolarHBondContact O-CG 3.24Å; Q439-K443 PolarHBondContact O-N 3.4Å; Q439-K443 VanDerWaalsContact O-N 3.09Å |
| 440 | L | 89.3 | Confident | 87.9 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 175.9 | -177.6 | 62.5 | 0 | 0 | 0 | 111.6 | Q436 H437 S438 E442 K443 L444 | Q436-L440 WeakPolarHBondContact O-CB 3.49Å; Q436-L440 PolarHBondContact O-N 2.93Å; H437-L440 PolarHBondContact O-N 3.23Å; S438-L440 VanDerWaalsContact C-N 3.32Å; S438-L440 PolarHBondContact O-N 3.01Å; L440-E442 VanDerWaalsContact C-N 3.29Å; L440-E442 PolarHBondContact O-N 3.45Å; L440-K443 PolarHBondContact O-N 3.01Å; L440-L444 HydrophobicContact CG-CD1 4.2Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.33Å |
| 441 | A | 85.9 | Confident | 88.1 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H437 S438 L444 K445 | H437-A441 WeakPolarHBondContact O-CB 3.38Å; H437-A441 PolarHBondContact O-N 2.9Å; S438-A441 PolarHBondContact O-N 3.02Å; A441-L444 PolarHBondContact O-N 3.26Å; A441-K445 WeakPolarHBondContact O-CB 3.5Å; A441-K445 PolarHBondContact O-N 3.5Å |
| 442 | E | 90.4 | Very high | 88.3 | Confident | 143 Ų | 143 | 109 Ų | 109 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.6 | -41.6 | 177.5 | -162.8 | 150.8 | -148.3 | 0 | 0 | 112.1 | S438 Q439 L440 L444 K445 E446 | S438-E442 PolarHBondContact O-N 3.23Å; Q439-E442 PolarHBondContact O-N 2.92Å; L440-E442 VanDerWaalsContact C-N 3.29Å; L440-E442 PolarHBondContact O-N 3.45Å; E442-L444 PolarHBondContact O-N 3.4Å; E442-K445 WeakPolarHBondContact O-CB 3.3Å; E442-K445 PolarHBondContact O-N 3.37Å; E442-E446 PolarHBondContact O-N 3.32Å |
| 443 | K | 89.6 | Confident | 88.5 | Confident | 130 Ų | 130 | 110.8 Ų | 110.8 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.1 | -42.5 | 171.5 | -76 | 178.6 | -179.8 | 174.5 | 0 | 112.8 | Q439 L440 K445 E446 Q447 | Q439-K443 WeakPolarHBondContact O-CG 3.24Å; Q439-K443 PolarHBondContact O-N 3.4Å; Q439-K443 VanDerWaalsContact O-N 3.09Å; L440-K443 PolarHBondContact O-N 3.01Å; K443-K445 VanDerWaalsContact C-N 3.28Å; K443-K445 PolarHBondContact O-N 2.85Å; K443-E446 PolarHBondContact O-N 3.48Å; K443-Q447 WeakPolarHBondContact O-CG 3.5Å; K443-Q447 PolarHBondContact O-N 2.81Å |
| 444 | L | 86.7 | Confident | 88.7 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -35.9 | 177.4 | -75 | 170.3 | 0 | 0 | 0 | 111.6 | L440 A441 E442 Q447 M448 | L440-L444 HydrophobicContact CG-CD1 4.2Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.33Å; A441-L444 PolarHBondContact O-N 3.26Å; E442-L444 PolarHBondContact O-N 3.4Å; L444-Q447 PolarHBondContact O-N 2.99Å; L444-M448 WeakPolarHBondContact O-CG 3.28Å; L444-M448 PolarHBondContact O-N 3.06Å |
| 445 | K | 90.3 | Very high | 88.7 | Confident | 142 Ų | 142 | 113.2 Ų | 113.2 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -41.4 | 175.8 | -172.2 | -177.8 | 177.9 | -173.7 | 0 | 112.1 | A441 E442 K443 M448 L449 | A441-K445 WeakPolarHBondContact O-CB 3.5Å; A441-K445 PolarHBondContact O-N 3.5Å; E442-K445 WeakPolarHBondContact O-CB 3.3Å; E442-K445 PolarHBondContact O-N 3.37Å; K443-K445 VanDerWaalsContact C-N 3.28Å; K443-K445 PolarHBondContact O-N 2.85Å; K445-M448 PolarHBondContact O-N 3.5Å; K445-L449 PolarHBondContact O-N 3.25Å; K445-L449 VanDerWaalsContact O-N 3.15Å |
| 446 | E | 91.9 | Very high | 88.9 | Confident | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.4 | -45.5 | 174.5 | -166 | 173.3 | -163.1 | 0 | 0 | 111 | E442 K443 M448 L449 D450 | E442-E446 PolarHBondContact O-N 3.32Å; K443-E446 PolarHBondContact O-N 3.48Å; E446-M448 VanDerWaalsContact C-N 3.3Å; E446-M448 PolarHBondContact O-N 2.92Å; E446-L449 PolarHBondContact O-N 3.34Å; E446-L449 VanDerWaalsContact O-N 3.12Å; E446-D450 PolarHBondContact O-N 3.49Å; E446-D450 VanDerWaalsContact O-N 3.08Å |
| 447 | Q | 88.4 | Confident | 89.1 | Confident | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 174.9 | -72.6 | -179.8 | -15 | 0 | 0 | 113.5 | K443 L444 Q451 | K443-Q447 WeakPolarHBondContact O-CG 3.5Å; K443-Q447 PolarHBondContact O-N 2.81Å; L444-Q447 PolarHBondContact O-N 2.99Å; Q447-Q451 WeakPolarHBondContact O-CG 3.48Å; Q447-Q451 PolarHBondContact O-N 3.16Å; Q447-Q451 VanDerWaalsContact O-N 3.1Å |
| 448 | M | 85.6 | Confident | 89.1 | Confident | 114 Ų | 114 | 104.6 Ų | 104.6 | 56% | 0.562 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.9 | -40.4 | 175 | -80.9 | -171 | 63.6 | 0 | 0 | 112.2 | L444 K445 E446 Q451 E452 | L444-M448 WeakPolarHBondContact O-CG 3.28Å; L444-M448 PolarHBondContact O-N 3.06Å; K445-M448 PolarHBondContact O-N 3.5Å; E446-M448 VanDerWaalsContact C-N 3.3Å; E446-M448 PolarHBondContact O-N 2.92Å; M448-Q451 PolarHBondContact O-N 3.36Å; M448-E452 PolarHBondContact O-N 3.43Å |
| 449 | L | 90.7 | Very high | 89.2 | Confident | 100 Ų | 100 | 109.9 Ų | 109.9 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.5 | -75.1 | 165.3 | 0 | 0 | 0 | 111.4 | K445 E446 Q451 E452 E453 | K445-L449 PolarHBondContact O-N 3.25Å; K445-L449 VanDerWaalsContact O-N 3.15Å; E446-L449 PolarHBondContact O-N 3.34Å; E446-L449 VanDerWaalsContact O-N 3.12Å; L449-Q451 VanDerWaalsContact C-N 3.28Å; L449-Q451 PolarHBondContact O-N 3.01Å; L449-E452 PolarHBondContact O-N 3.31Å; L449-E453 PolarHBondContact O-N 2.91Å |
| 450 | D | 89.1 | Confident | 89.4 | Confident | 100 Ų | 100 | 110.5 Ų | 110.5 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 175.5 | -70.6 | -13.8 | 0 | 0 | 0 | 111.7 | E446 E453 L454 | E446-D450 PolarHBondContact O-N 3.49Å; E446-D450 VanDerWaalsContact O-N 3.08Å; D450-E453 PolarHBondContact O-N 3.37Å; D450-L454 WeakPolarHBondContact O-CB 3.4Å; D450-L454 PolarHBondContact O-N 3.04Å |
| 451 | Q | 86.6 | Confident | 89.4 | Confident | 129 Ų | 129 | 109.3 Ų | 109.3 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.2 | -40.5 | 175.6 | -78.3 | -173.9 | -4.3 | 0 | 0 | 112.6 | Q447 M448 L449 L454 L455 | Q447-Q451 WeakPolarHBondContact O-CG 3.48Å; Q447-Q451 PolarHBondContact O-N 3.16Å; Q447-Q451 VanDerWaalsContact O-N 3.1Å; M448-Q451 PolarHBondContact O-N 3.36Å; L449-Q451 VanDerWaalsContact C-N 3.28Å; L449-Q451 PolarHBondContact O-N 3.01Å; Q451-L454 PolarHBondContact O-N 3.29Å; Q451-L455 WeakPolarHBondContact O-CB 3.44Å; Q451-L455 VanDerWaalsContact O-CG 3.29Å; Q451-L455 WeakPolarHBondContact O-CG 3.46Å; Q451-L455 PolarHBondContact O-N 2.93Å |
| 452 | E | 88.1 | Confident | 89.5 | Confident | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 175.6 | -78.5 | -172.7 | 170.7 | 0 | 0 | 111.8 | M448 L449 L455 A456 | M448-E452 PolarHBondContact O-N 3.43Å; L449-E452 PolarHBondContact O-N 3.31Å; E452-L455 PolarHBondContact O-N 2.75Å; E452-A456 WeakPolarHBondContact O-CB 3.43Å; E452-A456 PolarHBondContact O-N 3.36Å |
| 453 | E | 92.3 | Very high | 89.6 | Confident | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 175.8 | -174.8 | 170.9 | -171.5 | 0 | 0 | 111.7 | L449 D450 L455 A456 S457 | L449-E453 PolarHBondContact O-N 2.91Å; D450-E453 PolarHBondContact O-N 3.37Å; E453-L455 VanDerWaalsContact C-N 3.34Å; E453-L455 PolarHBondContact O-N 2.97Å; E453-A456 PolarHBondContact O-N 3.47Å; E453-S457 PolarHBondContact O-N 3.34Å |
| 454 | L | 90.3 | Very high | 89.7 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 176.3 | -175.3 | 65.9 | 0 | 0 | 0 | 111.8 | D450 Q451 S457 T458 | D450-L454 WeakPolarHBondContact O-CB 3.4Å; D450-L454 PolarHBondContact O-N 3.04Å; Q451-L454 PolarHBondContact O-N 3.29Å; L454-S457 PolarHBondContact O-N 3.08Å; L454-T458 WeakPolarHBondContact O-CB 3.49Å; L454-T458 PolarHBondContact O-N 3.33Å; L454-T458 PolarHBondContact O-OG1 3.36Å |
| 455 | L | 88.3 | Confident | 89.9 | Confident | 118 Ų | 118 | 112 Ų | 112 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 174.9 | -76.6 | 169.9 | 0 | 0 | 0 | 111.4 | Q451 E452 E453 S457 T458 R459 | Q451-L455 WeakPolarHBondContact O-CB 3.44Å; Q451-L455 VanDerWaalsContact O-CG 3.29Å; Q451-L455 WeakPolarHBondContact O-CG 3.46Å; Q451-L455 PolarHBondContact O-N 2.93Å; E452-L455 PolarHBondContact O-N 2.75Å; E453-L455 VanDerWaalsContact C-N 3.34Å; E453-L455 PolarHBondContact O-N 2.97Å; L455-S457 VanDerWaalsContact C-N 3.35Å; L455-S457 PolarHBondContact O-N 3.01Å; L455-T458 PolarHBondContact O-N 3.1Å; L455-R459 WeakPolarHBondContact O-CB 3.41Å; L455-R459 PolarHBondContact O-N 2.89Å |
| 456 | A | 91 | Very high | 89.9 | Confident | 46 Ų | 46 | 110.6 Ų | 110.6 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E452 E453 R460 | E452-A456 WeakPolarHBondContact O-CB 3.43Å; E452-A456 PolarHBondContact O-N 3.36Å; E453-A456 PolarHBondContact O-N 3.47Å; A456-R460 PolarHBondContact O-N 3.34Å; A456-R460 PolarHBondContact O-NE 2.78Å |
| 457 | S | 92.3 | Very high | 89.9 | Confident | 44 Ų | 44 | 111.3 Ų | 111.3 | 31% | 0.308 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -49.3 | 172.3 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | E453 L454 L455 R459 R460 D461 | E453-S457 PolarHBondContact O-N 3.34Å; L454-S457 PolarHBondContact O-N 3.08Å; L455-S457 VanDerWaalsContact C-N 3.35Å; L455-S457 PolarHBondContact O-N 3.01Å; S457-R459 VanDerWaalsContact C-N 3.26Å; S457-R459 PolarHBondContact O-N 3.5Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 PolarHBondContact O-N 2.88Å; S457-R460 VanDerWaalsContact O-N 3.1Å; S457-D461 PolarHBondContact O-N 3.22Å |
| 458 | T | 86.7 | Confident | 90 | Very high | 79 Ų | 79 | 112 Ų | 112 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | -179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | L454 L455 D461 Y462 | L454-T458 WeakPolarHBondContact O-CB 3.49Å; L454-T458 PolarHBondContact O-N 3.33Å; L454-T458 PolarHBondContact O-OG1 3.36Å; L455-T458 PolarHBondContact O-N 3.1Å; T458-D461 PolarHBondContact O-N 2.94Å; T458-Y462 WeakPolarHBondContact O-CB 3.47Å; T458-Y462 PolarHBondContact O-N 3.45Å |
| 459 | R | 91.7 | Very high | 90.1 | Very high | 174 Ų | 174 | 111.4 Ų | 111.4 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 176.4 | -171.7 | 175.9 | 178 | 173.3 | 3.4 | 112.4 | L455 S457 D461 Y462 E463 | L455-R459 WeakPolarHBondContact O-CB 3.41Å; L455-R459 PolarHBondContact O-N 2.89Å; S457-R459 VanDerWaalsContact C-N 3.26Å; S457-R459 PolarHBondContact O-N 3.5Å; R459-D461 VanDerWaalsContact C-N 3.34Å; R459-Y462 WeakPolarHBondContact O-CB 3.41Å; R459-Y462 PolarHBondContact O-N 2.93Å; R459-E463 IonicContact NE-OE1 3.73Å; R459-E463 WeakPolarHBondContact O-CG 3.29Å; R459-E463 PolarHBondContact O-N 3.39Å |
| 460 | R | 92.3 | Very high | 90.2 | Very high | 139 Ų | 139 | 110.2 Ų | 110.2 | 53% | 0.525 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 175.3 | -78.6 | 179.7 | -82.2 | 159.5 | -8.2 | 112 | A456 S457 Y462 E463 K464 | A456-R460 PolarHBondContact O-N 3.34Å; A456-R460 PolarHBondContact O-NE 2.78Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 PolarHBondContact O-N 2.88Å; S457-R460 VanDerWaalsContact O-N 3.1Å; R460-Y462 VanDerWaalsContact C-N 3.35Å; R460-E463 PolarHBondContact O-N 3.01Å; R460-K464 WeakPolarHBondContact O-CG 3.44Å; R460-K464 PolarHBondContact O-N 3.26Å; R460-K464 VanDerWaalsContact O-N 3.16Å |
| 461 | D | 89.4 | Confident | 90.5 | Very high | 74 Ų | 74 | 113.5 Ų | 113.5 | 40% | 0.396 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.3 | -36.3 | 177 | -66.6 | -26.1 | 0 | 0 | 0 | 111.6 | S457 T458 R459 K464 I465 | S457-D461 PolarHBondContact O-N 3.22Å; T458-D461 PolarHBondContact O-N 2.94Å; R459-D461 VanDerWaalsContact C-N 3.34Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 2.97Å; D461-I465 VanDerWaalsContact O-CG1 3.3Å; D461-I465 WeakPolarHBondContact O-CG1 3.41Å; D461-I465 PolarHBondContact O-N 2.92Å |
| 462 | Y | 88.4 | Confident | 90.6 | Very high | 155 Ų | 155 | 112.4 Ų | 112.4 | 61% | 0.608 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 173.3 | -172.3 | -93.3 | 0 | 0 | 0 | 112.2 | T458 R459 R460 K464 I465 Q466 | T458-Y462 WeakPolarHBondContact O-CB 3.47Å; T458-Y462 PolarHBondContact O-N 3.45Å; R459-Y462 WeakPolarHBondContact O-CB 3.41Å; R459-Y462 PolarHBondContact O-N 2.93Å; R460-Y462 VanDerWaalsContact C-N 3.35Å; Y462-K464 PolarHBondContact O-N 3.38Å; Y462-I465 PolarHBondContact O-N 3.43Å; Y462-Q466 WeakPolarHBondContact O-CB 3.15Å; Y462-Q466 PolarHBondContact O-N 3.36Å |
| 463 | E | 92.3 | Very high | 90.7 | Very high | 94 Ų | 94 | 112 Ų | 112 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.5 | -74.6 | 166.8 | -175.2 | 0 | 0 | 111.5 | R459 R460 I465 Q466 E467 | R459-E463 IonicContact NE-OE1 3.73Å; R459-E463 WeakPolarHBondContact O-CG 3.29Å; R459-E463 PolarHBondContact O-N 3.39Å; R460-E463 PolarHBondContact O-N 3.01Å; E463-I465 PolarHBondContact O-N 3.18Å; E463-Q466 WeakPolarHBondContact O-CB 3.4Å; E463-Q466 PolarHBondContact O-N 2.85Å; E463-E467 PolarHBondContact O-N 3.43Å |
| 464 | K | 91.9 | Very high | 90.8 | Very high | 124 Ų | 124 | 109.4 Ų | 109.4 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.1 | -70.8 | 174.8 | -175.2 | 167.8 | 0 | 112.8 | R460 D461 Y462 Q466 E467 E468 | R460-K464 WeakPolarHBondContact O-CG 3.44Å; R460-K464 PolarHBondContact O-N 3.26Å; R460-K464 VanDerWaalsContact O-N 3.16Å; D461-K464 PolarHBondContact O-N 3.21Å; D461-K464 IonicContact OD1-NZ 2.97Å; Y462-K464 PolarHBondContact O-N 3.38Å; K464-Q466 VanDerWaalsContact C-N 3.25Å; K464-Q466 PolarHBondContact O-N 2.95Å; K464-E467 PolarHBondContact O-N 2.82Å; K464-E468 PolarHBondContact O-N 3.09Å |
| 465 | I | 90.5 | Very high | 90.8 | Very high | 103 Ų | 103 | 108.1 Ų | 108.1 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 177.9 | -70.1 | 167.5 | 0 | 0 | 0 | 110.3 | D461 Y462 E463 E468 L469 | D461-I465 VanDerWaalsContact O-CG1 3.3Å; D461-I465 WeakPolarHBondContact O-CG1 3.41Å; D461-I465 PolarHBondContact O-N 2.92Å; Y462-I465 PolarHBondContact O-N 3.43Å; E463-I465 PolarHBondContact O-N 3.18Å; I465-E468 PolarHBondContact O-N 3.47Å; I465-L469 WeakPolarHBondContact O-CB 3.44Å; I465-L469 PolarHBondContact O-N 2.74Å |
| 466 | Q | 89.6 | Confident | 90.8 | Very high | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 178.2 | -168.6 | 175.9 | -17.1 | 0 | 0 | 112 | Y462 E463 K464 L469 C470 | Y462-Q466 WeakPolarHBondContact O-CB 3.15Å; Y462-Q466 PolarHBondContact O-N 3.36Å; E463-Q466 WeakPolarHBondContact O-CB 3.4Å; E463-Q466 PolarHBondContact O-N 2.85Å; K464-Q466 VanDerWaalsContact C-N 3.25Å; K464-Q466 PolarHBondContact O-N 2.95Å; Q466-L469 PolarHBondContact O-N 2.93Å; Q466-C470 PolarHBondContact O-N 3.19Å; Q466-C470 VanDerWaalsContact O-N 3.08Å |
| 467 | E | 92.2 | Very high | 90.7 | Very high | 144 Ų | 144 | 108.8 Ų | 108.8 | 67% | 0.673 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 172.3 | -72.8 | 178.9 | 176.5 | 0 | 0 | 112 | E463 K464 L469 C470 R471 | E463-E467 PolarHBondContact O-N 3.43Å; K464-E467 PolarHBondContact O-N 2.82Å; E467-L469 VanDerWaalsContact C-N 3.33Å; E467-L469 PolarHBondContact O-N 3.19Å; E467-C470 PolarHBondContact O-N 3.49Å; E467-R471 PolarHBondContact O-N 2.98Å |
| 468 | E | 91.2 | Very high | 90.7 | Very high | 131 Ų | 131 | 112.1 Ų | 112.1 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.2 | -39.5 | 175.8 | -75.2 | -174.6 | 172.5 | 0 | 0 | 112.3 | K464 I465 R471 L472 | K464-E468 PolarHBondContact O-N 3.09Å; I465-E468 PolarHBondContact O-N 3.47Å; E468-R471 PolarHBondContact O-N 3.3Å; E468-L472 WeakPolarHBondContact O-CG 3.3Å; E468-L472 PolarHBondContact O-N 3.1Å |
| 469 | L | 88.1 | Confident | 90.8 | Very high | 102 Ų | 102 | 110.4 Ų | 110.4 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 176.6 | -165.9 | 87.8 | 0 | 0 | 0 | 111.4 | I465 Q466 E467 R471 L472 Q473 | I465-L469 WeakPolarHBondContact O-CB 3.44Å; I465-L469 PolarHBondContact O-N 2.74Å; Q466-L469 PolarHBondContact O-N 2.93Å; E467-L469 VanDerWaalsContact C-N 3.33Å; E467-L469 PolarHBondContact O-N 3.19Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 3.37Å; L469-L472 PolarHBondContact O-N 3.08Å; L469-Q473 WeakPolarHBondContact O-CB 3.42Å; L469-Q473 WeakPolarHBondContact O-CG 3.38Å; L469-Q473 PolarHBondContact O-N 3.42Å |
| 470 | C | 92.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 107.5 Ų | 107.5 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 177.7 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | Q466 E467 Q473 T474 | Q466-C470 PolarHBondContact O-N 3.19Å; Q466-C470 VanDerWaalsContact O-N 3.08Å; E467-C470 PolarHBondContact O-N 3.49Å; C470-Q473 PolarHBondContact O-N 3.49Å; C470-T474 PolarHBondContact O-N 2.77Å; C470-T474 VanDerWaalsContact O-N 3.09Å; C470-T474 PolarHBondContact O-OG1 3.44Å |
| 471 | R | 94.8 | Very high | 90.7 | Very high | 170 Ų | 170 | 105.3 Ų | 105.3 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62 | -49.2 | 174.9 | -177.2 | -176.6 | 164.8 | -176.5 | -2.5 | 111.8 | E467 E468 L469 Q473 T474 E475 | E467-R471 PolarHBondContact O-N 2.98Å; E468-R471 PolarHBondContact O-N 3.3Å; L469-R471 VanDerWaalsContact C-N 3.32Å; L469-R471 PolarHBondContact O-N 3.37Å; R471-Q473 VanDerWaalsContact C-N 3.31Å; R471-Q473 PolarHBondContact O-N 2.85Å; R471-T474 WeakPolarHBondContact O-CB 3.46Å; R471-T474 PolarHBondContact O-N 2.97Å; R471-T474 VanDerWaalsContact O-N 3.16Å; R471-E475 IonicContact CZ-OE1 3.45Å; R471-E475 IonicContact NE-OE1 3.83Å; R471-E475 PolarHBondContact NE-OE1 2.9Å; R471-E475 IonicContact NH2-OE1 3.74Å; R471-E475 PolarHBondContact NH2-OE1 2.84Å; R471-E475 PolarHBondContact O-N 2.98Å |
| 472 | L | 88.6 | Confident | 90.8 | Very high | 106 Ų | 106 | 108 Ų | 108 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -34.8 | 179 | -75.1 | 173 | 0 | 0 | 0 | 112.6 | E468 L469 T474 E475 N476 | E468-L472 WeakPolarHBondContact O-CG 3.3Å; E468-L472 PolarHBondContact O-N 3.1Å; L469-L472 PolarHBondContact O-N 3.08Å; L472-T474 VanDerWaalsContact C-N 3.35Å; L472-E475 PolarHBondContact O-N 3.31Å; L472-N476 VanDerWaalsContact O-CB 3.29Å; L472-N476 WeakPolarHBondContact O-CB 3.43Å; L472-N476 PolarHBondContact O-N 3.2Å |
| 473 | Q | 91.3 | Very high | 90.9 | Very high | 113 Ų | 113 | 104.8 Ų | 104.8 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 172.7 | -82 | 178.8 | -48.2 | 0 | 0 | 111.5 | L469 C470 R471 N476 D477 | L469-Q473 WeakPolarHBondContact O-CB 3.42Å; L469-Q473 WeakPolarHBondContact O-CG 3.38Å; L469-Q473 PolarHBondContact O-N 3.42Å; C470-Q473 PolarHBondContact O-N 3.49Å; R471-Q473 VanDerWaalsContact C-N 3.31Å; R471-Q473 PolarHBondContact O-N 2.85Å; Q473-N476 WeakPolarHBondContact O-CB 3.18Å; Q473-N476 PolarHBondContact O-N 3.33Å; Q473-D477 PolarHBondContact O-N 3.31Å |
| 474 | T | 92.9 | Very high | 90.9 | Very high | 80 Ų | 80 | 105.3 Ų | 105.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 177.9 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | C470 R471 L472 N476 D477 L478 | C470-T474 PolarHBondContact O-N 2.77Å; C470-T474 VanDerWaalsContact O-N 3.09Å; C470-T474 PolarHBondContact O-OG1 3.44Å; R471-T474 WeakPolarHBondContact O-CB 3.46Å; R471-T474 PolarHBondContact O-N 2.97Å; R471-T474 VanDerWaalsContact O-N 3.16Å; L472-T474 VanDerWaalsContact C-N 3.35Å; T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.42Å; T474-D477 PolarHBondContact O-N 3.15Å; T474-L478 WeakPolarHBondContact O-CG 3.36Å; T474-L478 PolarHBondContact O-N 3.25Å; T474-L478 VanDerWaalsContact O-N 3.1Å |
| 475 | E | 91.2 | Very high | 91 | Very high | 89 Ų | 89 | 105.5 Ų | 105.5 | 42% | 0.416 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 175.1 | -72.9 | 177 | -169.5 | 0 | 0 | 111.6 | R471 L472 A479 | R471-E475 IonicContact CZ-OE1 3.45Å; R471-E475 IonicContact NE-OE1 3.83Å; R471-E475 PolarHBondContact NE-OE1 2.9Å; R471-E475 IonicContact NH2-OE1 3.74Å; R471-E475 PolarHBondContact NH2-OE1 2.84Å; R471-E475 PolarHBondContact O-N 2.98Å; L472-E475 PolarHBondContact O-N 3.31Å; E475-A479 WeakPolarHBondContact O-CB 3.44Å; E475-A479 PolarHBondContact O-N 3.44Å |
| 476 | N | 87.9 | Confident | 91.1 | Very high | 86 Ų | 86 | 104.8 Ų | 104.8 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 177.7 | -166.7 | -95.4 | 0 | 0 | 0 | 112.7 | L472 Q473 T474 A479 K480 | L472-N476 VanDerWaalsContact O-CB 3.29Å; L472-N476 WeakPolarHBondContact O-CB 3.43Å; L472-N476 PolarHBondContact O-N 3.2Å; Q473-N476 WeakPolarHBondContact O-CB 3.18Å; Q473-N476 PolarHBondContact O-N 3.33Å; T474-N476 VanDerWaalsContact C-N 3.3Å; T474-N476 PolarHBondContact O-N 3.42Å; N476-A479 PolarHBondContact O-N 3.49Å; N476-K480 WeakPolarHBondContact O-CG 3.35Å; N476-K480 PolarHBondContact O-N 3.41Å; N476-K480 WeakPolarHBondContact OD1-CE 3.41Å; N476-K480 PolarHBondContact OD1-NZ 3.46Å; N476-K480 VanDerWaalsContact OD1-NZ 3.08Å |
| 477 | D | 89.9 | Confident | 91.1 | Very high | 92 Ų | 92 | 104 Ų | 104 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 179.5 | -71.7 | -21.3 | 0 | 0 | 0 | 111.8 | Q473 T474 K480 E481 | Q473-D477 PolarHBondContact O-N 3.31Å; T474-D477 PolarHBondContact O-N 3.15Å; D477-K480 PolarHBondContact O-N 2.91Å; D477-K480 IonicContact OD1-NZ 2.7Å; D477-K480 PolarHBondContact OD1-NZ 3.12Å; D477-E481 PolarHBondContact O-N 3.23Å |
| 478 | L | 92 | Very high | 91.1 | Very high | 113 Ų | 113 | 102.3 Ų | 102.3 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 169.9 | -70.5 | 171 | 0 | 0 | 0 | 111.6 | T474 K480 E481 E482 | T474-L478 WeakPolarHBondContact O-CG 3.36Å; T474-L478 PolarHBondContact O-N 3.25Å; T474-L478 VanDerWaalsContact O-N 3.1Å; L478-K480 VanDerWaalsContact C-N 3.29Å; L478-K480 PolarHBondContact O-N 3.46Å; L478-E481 PolarHBondContact O-N 3.44Å; L478-E481 VanDerWaalsContact O-N 3.14Å; L478-E482 PolarHBondContact O-N 3.34Å; L478-E482 VanDerWaalsContact O-N 3.09Å |
| 479 | A | 88.8 | Confident | 91.1 | Very high | 43 Ų | 43 | 98.8 Ų | 98.8 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -32.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E475 N476 E482 V483 | E475-A479 WeakPolarHBondContact O-CB 3.44Å; E475-A479 PolarHBondContact O-N 3.44Å; N476-A479 PolarHBondContact O-N 3.49Å; A479-E482 PolarHBondContact O-N 3.04Å; A479-V483 VanDerWaalsContact O-CG2 3.31Å; A479-V483 WeakPolarHBondContact O-CG2 3.33Å; A479-V483 PolarHBondContact O-N 3.48Å |
| 480 | K | 90.3 | Very high | 91.2 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 173.6 | -76.2 | 178.7 | -163.4 | 137.4 | 0 | 112.2 | N476 D477 L478 V483 K484 | N476-K480 WeakPolarHBondContact O-CG 3.35Å; N476-K480 PolarHBondContact O-N 3.41Å; N476-K480 WeakPolarHBondContact OD1-CE 3.41Å; N476-K480 PolarHBondContact OD1-NZ 3.46Å; N476-K480 VanDerWaalsContact OD1-NZ 3.08Å; D477-K480 PolarHBondContact O-N 2.91Å; D477-K480 IonicContact OD1-NZ 2.7Å; D477-K480 PolarHBondContact OD1-NZ 3.12Å; L478-K480 VanDerWaalsContact C-N 3.29Å; L478-K480 PolarHBondContact O-N 3.46Å; K480-V483 PolarHBondContact O-N 2.98Å; K480-K484 WeakPolarHBondContact O-CB 3.48Å; K480-K484 PolarHBondContact O-N 2.93Å |
| 481 | E | 92.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 179.2 | -152.2 | 64 | -163.3 | 0 | 0 | 110.5 | D477 L478 V483 K484 E485 | D477-E481 PolarHBondContact O-N 3.23Å; L478-E481 PolarHBondContact O-N 3.44Å; L478-E481 VanDerWaalsContact O-N 3.14Å; E481-V483 PolarHBondContact O-N 3.03Å; E481-K484 WeakPolarHBondContact O-CB 3.47Å; E481-K484 PolarHBondContact O-N 3.24Å; E481-K484 IonicContact OE1-NZ 2.71Å; E481-K484 PolarHBondContact OE1-NZ 3.33Å; E481-K484 IonicContact OE2-NZ 3.56Å; E481-E485 PolarHBondContact O-N 3.09Å |
| 482 | E | 91.6 | Very high | 91 | Very high | 131 Ų | 131 | 100 Ų | 100 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 172 | -69.8 | -177 | 167.9 | 0 | 0 | 112.2 | L478 A479 K484 E485 V486 | L478-E482 PolarHBondContact O-N 3.34Å; L478-E482 VanDerWaalsContact O-N 3.09Å; A479-E482 PolarHBondContact O-N 3.04Å; E482-K484 VanDerWaalsContact C-N 3.29Å; E482-K484 PolarHBondContact O-N 2.93Å; E482-E485 PolarHBondContact O-N 3.42Å; E482-V486 WeakPolarHBondContact O-CG2 3.38Å; E482-V486 PolarHBondContact O-N 3.25Å |
| 483 | V | 90.6 | Very high | 91.2 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | A479 K480 E481 V486 L487 | A479-V483 VanDerWaalsContact O-CG2 3.31Å; A479-V483 WeakPolarHBondContact O-CG2 3.33Å; A479-V483 PolarHBondContact O-N 3.48Å; K480-V483 PolarHBondContact O-N 2.98Å; E481-V483 PolarHBondContact O-N 3.03Å; V483-V486 PolarHBondContact O-N 3.11Å; V483-L487 HydrophobicContact CG1-CD1 4.05Å; V483-L487 HydrophobicContact CG1-CG 4.46Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 3.42Å |
| 484 | K | 91.9 | Very high | 91.1 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 45% | 0.452 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 178.2 | -179.8 | 178.7 | 159.3 | -149.2 | 0 | 111.9 | K480 E481 E482 L487 Q488 | K480-K484 WeakPolarHBondContact O-CB 3.48Å; K480-K484 PolarHBondContact O-N 2.93Å; E481-K484 WeakPolarHBondContact O-CB 3.47Å; E481-K484 PolarHBondContact O-N 3.24Å; E481-K484 IonicContact OE1-NZ 2.71Å; E481-K484 PolarHBondContact OE1-NZ 3.33Å; E481-K484 IonicContact OE2-NZ 3.56Å; E482-K484 VanDerWaalsContact C-N 3.29Å; E482-K484 PolarHBondContact O-N 2.93Å; K484-L487 PolarHBondContact O-N 3.32Å; K484-Q488 PolarHBondContact O-N 3.48Å |
| 485 | E | 93.6 | Very high | 91.1 | Very high | 128 Ų | 128 | 97.6 Ų | 97.6 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 173 | -71.7 | -176.5 | 175.2 | 0 | 0 | 111.6 | E481 E482 L487 Q488 A489 | E481-E485 PolarHBondContact O-N 3.09Å; E482-E485 PolarHBondContact O-N 3.42Å; E485-L487 PolarHBondContact O-N 3.07Å; E485-Q488 PolarHBondContact O-N 2.84Å; E485-A489 PolarHBondContact O-N 3.45Å |
| 486 | V | 92.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 97.5 Ų | 97.5 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | E482 V483 A489 L490 | E482-V486 WeakPolarHBondContact O-CG2 3.38Å; E482-V486 PolarHBondContact O-N 3.25Å; V483-V486 PolarHBondContact O-N 3.11Å; V486-A489 PolarHBondContact O-N 2.87Å; V486-L490 HydrophobicContact CG1-CD1 4.14Å; V486-L490 WeakPolarHBondContact O-CG 3.43Å; V486-L490 PolarHBondContact O-N 2.91Å |
| 487 | L | 88.9 | Confident | 91.4 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 177 | -76.3 | 169.8 | 0 | 0 | 0 | 112 | V483 K484 E485 A489 L490 E491 | V483-L487 HydrophobicContact CG1-CD1 4.05Å; V483-L487 HydrophobicContact CG1-CG 4.46Å; V483-L487 WeakPolarHBondContact O-CG 3.49Å; V483-L487 PolarHBondContact O-N 3.42Å; K484-L487 PolarHBondContact O-N 3.32Å; E485-L487 PolarHBondContact O-N 3.07Å; L487-A489 VanDerWaalsContact C-N 3.34Å; L487-A489 PolarHBondContact O-N 3.17Å; L487-L490 PolarHBondContact O-N 3.32Å; L487-E491 PolarHBondContact O-N 3Å |
| 488 | Q | 92.8 | Very high | 91.5 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.7 | -77.7 | -176.9 | -28.5 | 0 | 0 | 111.8 | K484 E485 L490 E491 E492 | K484-Q488 PolarHBondContact O-N 3.48Å; E485-Q488 PolarHBondContact O-N 2.84Å; Q488-L490 VanDerWaalsContact C-N 3.29Å; Q488-L490 PolarHBondContact O-N 2.8Å; Q488-E491 PolarHBondContact O-N 3.35Å; Q488-E492 PolarHBondContact O-N 2.91Å |
| 489 | A | 92 | Very high | 91.5 | Very high | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E485 V486 L487 L493 | E485-A489 PolarHBondContact O-N 3.45Å; V486-A489 PolarHBondContact O-N 2.87Å; L487-A489 VanDerWaalsContact C-N 3.34Å; L487-A489 PolarHBondContact O-N 3.17Å; A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.04Å |
| 490 | L | 88.9 | Confident | 91.7 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -39.4 | 175.5 | -76 | 168.7 | 0 | 0 | 0 | 112.4 | V486 L487 Q488 L493 A494 | V486-L490 HydrophobicContact CG1-CD1 4.14Å; V486-L490 WeakPolarHBondContact O-CG 3.43Å; V486-L490 PolarHBondContact O-N 2.91Å; L487-L490 PolarHBondContact O-N 3.32Å; Q488-L490 VanDerWaalsContact C-N 3.29Å; Q488-L490 PolarHBondContact O-N 2.8Å; L490-L493 PolarHBondContact O-N 3.3Å; L490-A494 WeakPolarHBondContact O-CB 3.36Å; L490-A494 PolarHBondContact O-N 3.09Å |
| 491 | E | 91 | Very high | 91.9 | Very high | 136 Ų | 136 | 102.1 Ų | 102.1 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 174.2 | -76.3 | -179.9 | 174.4 | 0 | 0 | 111.3 | L487 Q488 L493 A494 V495 | L487-E491 PolarHBondContact O-N 3Å; Q488-E491 PolarHBondContact O-N 3.35Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.45Å; E491-A494 PolarHBondContact O-N 3.42Å; E491-V495 WeakPolarHBondContact O-CG2 3.48Å; E491-V495 PolarHBondContact O-N 2.99Å |
| 492 | E | 92.5 | Very high | 91.9 | Very high | 135 Ų | 135 | 103.6 Ų | 103.6 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 175.4 | -72.6 | -176.1 | 179.5 | 0 | 0 | 112.2 | Q488 N496 | Q488-E492 PolarHBondContact O-N 2.91Å; E492-N496 WeakPolarHBondContact O-CB 3.28Å; E492-N496 PolarHBondContact O-N 3.47Å; E492-N496 PolarHBondContact O-ND2 3.46Å; E492-N496 VanDerWaalsContact O-ND2 3.09Å |
| 493 | L | 91.9 | Very high | 92 | Very high | 112 Ų | 112 | 102.2 Ų | 102.2 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -39.4 | 177.3 | -170.7 | 67.1 | 0 | 0 | 0 | 111.9 | A489 L490 E491 N496 Y497 | A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.04Å; L490-L493 PolarHBondContact O-N 3.3Å; E491-L493 VanDerWaalsContact C-N 3.31Å; E491-L493 PolarHBondContact O-N 3.45Å; L493-N496 PolarHBondContact O-N 3.34Å; L493-Y497 WeakPolarHBondContact O-CB 3.44Å; L493-Y497 PolarHBondContact O-N 2.85Å |
| 494 | A | 89.8 | Confident | 92.2 | Very high | 54 Ų | 54 | 101.9 Ų | 101.9 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L490 E491 N496 Y497 D498 | L490-A494 WeakPolarHBondContact O-CB 3.36Å; L490-A494 PolarHBondContact O-N 3.09Å; E491-A494 PolarHBondContact O-N 3.42Å; A494-N496 VanDerWaalsContact C-N 3.33Å; A494-N496 PolarHBondContact O-N 2.92Å; A494-Y497 WeakPolarHBondContact O-CB 3.5Å; A494-Y497 PolarHBondContact O-N 2.91Å; A494-D498 PolarHBondContact O-N 2.7Å |
| 495 | V | 93.1 | Very high | 92.3 | Very high | 82 Ų | 82 | 102.7 Ų | 102.7 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | E491 Y497 D498 Q499 | E491-V495 WeakPolarHBondContact O-CG2 3.48Å; E491-V495 PolarHBondContact O-N 2.99Å; V495-Y497 VanDerWaalsContact C-N 3.33Å; V495-Y497 PolarHBondContact O-N 3.4Å; V495-D498 PolarHBondContact O-N 3.02Å; V495-Q499 WeakPolarHBondContact O-CG 3.44Å; V495-Q499 PolarHBondContact O-N 3Å; V495-Q499 VanDerWaalsContact O-N 3.08Å |
| 496 | N | 92.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 103.4 Ų | 103.4 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 175.8 | -79 | -40.8 | 0 | 0 | 0 | 112.4 | E492 L493 A494 K500 | E492-N496 WeakPolarHBondContact O-CB 3.28Å; E492-N496 PolarHBondContact O-N 3.47Å; E492-N496 PolarHBondContact O-ND2 3.46Å; E492-N496 VanDerWaalsContact O-ND2 3.09Å; L493-N496 PolarHBondContact O-N 3.34Å; A494-N496 VanDerWaalsContact C-N 3.33Å; A494-N496 PolarHBondContact O-N 2.92Å; N496-K500 WeakPolarHBondContact O-CB 3.35Å; N496-K500 PolarHBondContact O-N 3.37Å |
| 497 | Y | 92.6 | Very high | 92.4 | Very high | 164 Ų | 164 | 108.5 Ų | 108.5 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -46.6 | 176.1 | 180 | -93.9 | 0 | 0 | 0 | 111.5 | L493 A494 V495 Q499 K500 S501 | L493-Y497 WeakPolarHBondContact O-CB 3.44Å; L493-Y497 PolarHBondContact O-N 2.85Å; A494-Y497 WeakPolarHBondContact O-CB 3.5Å; A494-Y497 PolarHBondContact O-N 2.91Å; V495-Y497 VanDerWaalsContact C-N 3.33Å; V495-Y497 PolarHBondContact O-N 3.4Å; Y497-Q499 PolarHBondContact O-N 3.4Å; Y497-K500 PolarHBondContact O-N 2.94Å; Y497-S501 WeakPolarHBondContact O-CB 3.39Å; Y497-S501 PolarHBondContact O-N 3.25Å |
| 498 | D | 91.3 | Very high | 92.6 | Very high | 100 Ų | 100 | 110 Ų | 110 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.4 | -76.9 | -9.1 | 0 | 0 | 0 | 111.8 | A494 V495 K500 S501 Q502 | A494-D498 PolarHBondContact O-N 2.7Å; V495-D498 PolarHBondContact O-N 3.02Å; D498-K500 PolarHBondContact O-N 3.45Å; D498-S501 WeakPolarHBondContact O-CB 3.34Å; D498-S501 PolarHBondContact O-N 3.19Å; D498-Q502 PolarHBondContact O-N 3.03Å |
| 499 | Q | 92.9 | Very high | 92.6 | Very high | 108 Ų | 108 | 107.5 Ų | 107.5 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.6 | -74 | 178.9 | 3.3 | 0 | 0 | 111.8 | V495 Y497 S501 Q502 E503 | V495-Q499 WeakPolarHBondContact O-CG 3.44Å; V495-Q499 PolarHBondContact O-N 3Å; V495-Q499 VanDerWaalsContact O-N 3.08Å; Y497-Q499 PolarHBondContact O-N 3.4Å; Q499-S501 VanDerWaalsContact C-N 3.32Å; Q499-S501 PolarHBondContact O-N 3.11Å; Q499-Q502 PolarHBondContact O-N 2.8Å; Q499-E503 PolarHBondContact O-N 3.39Å |
| 500 | K | 92.6 | Very high | 92.7 | Very high | 126 Ų | 126 | 107 Ų | 107 | 55% | 0.548 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.6 | -36 | 177 | -86 | -72.1 | 169.4 | -154.8 | 0 | 112.6 | N496 Y497 D498 E503 V504 | N496-K500 WeakPolarHBondContact O-CB 3.35Å; N496-K500 PolarHBondContact O-N 3.37Å; Y497-K500 PolarHBondContact O-N 2.94Å; D498-K500 PolarHBondContact O-N 3.45Å; K500-E503 IonicContact NZ-OE2 3.94Å; K500-E503 PolarHBondContact NZ-OE2 2.94Å; K500-E503 PolarHBondContact O-N 3.23Å; K500-V504 WeakPolarHBondContact O-CG2 3.35Å; K500-V504 PolarHBondContact O-N 3.13Å; K500-V504 VanDerWaalsContact O-N 3.09Å |
| 501 | S | 93.8 | Very high | 92.8 | Very high | 46 Ų | 46 | 106.8 Ų | 106.8 | 32% | 0.322 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.5 | -163.8 | 0 | 0 | 0 | 0 | 111 | Y497 D498 Q499 E503 V504 E505 | Y497-S501 WeakPolarHBondContact O-CB 3.39Å; Y497-S501 PolarHBondContact O-N 3.25Å; D498-S501 WeakPolarHBondContact O-CB 3.34Å; D498-S501 PolarHBondContact O-N 3.19Å; Q499-S501 VanDerWaalsContact C-N 3.32Å; Q499-S501 PolarHBondContact O-N 3.11Å; S501-E503 PolarHBondContact O-N 2.93Å; S501-V504 PolarHBondContact O-N 3.49Å; S501-E505 PolarHBondContact O-N 3.45Å |
| 502 | Q | 93.6 | Very high | 93 | Very high | 124 Ų | 124 | 105.2 Ų | 105.2 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 175.7 | -74.2 | -180 | -2.7 | 0 | 0 | 112.4 | D498 Q499 V504 E505 E506 | D498-Q502 PolarHBondContact O-N 3.03Å; Q499-Q502 PolarHBondContact O-N 2.8Å; Q502-V504 VanDerWaalsContact C-N 3.26Å; Q502-V504 PolarHBondContact O-N 3.34Å; Q502-E505 PolarHBondContact O-N 2.98Å; Q502-E506 WeakPolarHBondContact O-CG 3.38Å; Q502-E506 PolarHBondContact O-N 3.38Å |
| 503 | E | 93.8 | Very high | 93 | Very high | 102 Ų | 102 | 104.8 Ų | 104.8 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 175.7 | -76.4 | -175.6 | 174.6 | 0 | 0 | 112.7 | Q499 K500 S501 R507 | Q499-E503 PolarHBondContact O-N 3.39Å; K500-E503 IonicContact NZ-OE2 3.94Å; K500-E503 PolarHBondContact NZ-OE2 2.94Å; K500-E503 PolarHBondContact O-N 3.23Å; S501-E503 PolarHBondContact O-N 2.93Å; E503-R507 WeakPolarHBondContact O-CB 3.35Å; E503-R507 WeakPolarHBondContact O-CG 3.4Å; E503-R507 PolarHBondContact O-N 3Å; E503-R507 VanDerWaalsContact O-N 3.1Å |
| 504 | V | 93.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 176.8 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | K500 S501 Q502 E506 R507 E508 | K500-V504 WeakPolarHBondContact O-CG2 3.35Å; K500-V504 PolarHBondContact O-N 3.13Å; K500-V504 VanDerWaalsContact O-N 3.09Å; S501-V504 PolarHBondContact O-N 3.49Å; Q502-V504 VanDerWaalsContact C-N 3.26Å; Q502-V504 PolarHBondContact O-N 3.34Å; V504-E506 PolarHBondContact O-N 2.94Å; V504-R507 PolarHBondContact O-N 3.23Å; V504-E508 HydrophobicContact CG1-CG 4.39Å; V504-E508 WeakPolarHBondContact O-CG 3.42Å; V504-E508 PolarHBondContact O-N 3.33Å |
| 505 | E | 93.7 | Very high | 93.3 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.4 | -43.9 | 177.1 | -73.3 | 179.7 | -173.4 | 0 | 0 | 112.1 | S501 Q502 R507 E508 A509 | S501-E505 PolarHBondContact O-N 3.45Å; Q502-E505 PolarHBondContact O-N 2.98Å; E505-R507 VanDerWaalsContact C-N 3.34Å; E505-R507 PolarHBondContact O-N 2.9Å; E505-E508 PolarHBondContact O-N 2.81Å; E505-A509 WeakPolarHBondContact O-CB 3.43Å; E505-A509 PolarHBondContact O-N 3.45Å |
| 506 | E | 94.3 | Very high | 93.3 | Very high | 142 Ų | 142 | 106.7 Ų | 106.7 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 176.2 | -73.9 | -176.5 | 173.9 | 0 | 0 | 112 | Q502 V504 A509 A510 | Q502-E506 WeakPolarHBondContact O-CG 3.38Å; Q502-E506 PolarHBondContact O-N 3.38Å; V504-E506 PolarHBondContact O-N 2.94Å; E506-A509 PolarHBondContact O-N 3.32Å; E506-A510 WeakPolarHBondContact O-CB 3.43Å; E506-A510 PolarHBondContact O-N 3.09Å |
| 507 | R | 93.5 | Very high | 93.4 | Very high | 196 Ų | 196 | 107.4 Ų | 107.4 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -36.9 | 176.6 | -79.4 | -155.3 | 178.1 | -167.9 | 2.2 | 113.1 | E503 V504 E505 A510 N511 | E503-R507 WeakPolarHBondContact O-CB 3.35Å; E503-R507 WeakPolarHBondContact O-CG 3.4Å; E503-R507 PolarHBondContact O-N 3Å; E503-R507 VanDerWaalsContact O-N 3.1Å; V504-R507 PolarHBondContact O-N 3.23Å; E505-R507 VanDerWaalsContact C-N 3.34Å; E505-R507 PolarHBondContact O-N 2.9Å; R507-A510 PolarHBondContact O-N 3.49Å; R507-N511 WeakPolarHBondContact O-CB 3.28Å; R507-N511 PolarHBondContact O-N 3.31Å |
| 508 | E | 93.9 | Very high | 93.4 | Very high | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 174.3 | -77.4 | -175.1 | 167 | 0 | 0 | 110.9 | V504 E505 A510 N511 Q512 | V504-E508 HydrophobicContact CG1-CG 4.39Å; V504-E508 WeakPolarHBondContact O-CG 3.42Å; V504-E508 PolarHBondContact O-N 3.33Å; E505-E508 PolarHBondContact O-N 2.81Å; E508-A510 PolarHBondContact O-N 2.98Å; E508-N511 PolarHBondContact O-N 3.08Å; E508-Q512 WeakPolarHBondContact O-CB 3.29Å; E508-Q512 PolarHBondContact O-N 3.06Å |
| 509 | A | 93.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 106.8 Ų | 106.8 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E505 E506 Q512 Q513 | E505-A509 WeakPolarHBondContact O-CB 3.43Å; E505-A509 PolarHBondContact O-N 3.45Å; E506-A509 PolarHBondContact O-N 3.32Å; A509-Q512 PolarHBondContact O-N 3.19Å; A509-Q513 PolarHBondContact O-N 3.01Å; A509-Q513 VanDerWaalsContact O-N 3.07Å |
| 510 | A | 93.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 107.9 Ų | 107.9 | 37% | 0.372 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E506 R507 E508 Q512 Q513 L514 | E506-A510 WeakPolarHBondContact O-CB 3.43Å; E506-A510 PolarHBondContact O-N 3.09Å; R507-A510 PolarHBondContact O-N 3.49Å; E508-A510 PolarHBondContact O-N 2.98Å; A510-Q512 VanDerWaalsContact C-N 3.33Å; A510-Q512 PolarHBondContact O-N 3.12Å; A510-Q513 PolarHBondContact O-N 3Å; A510-L514 PolarHBondContact O-N 3.37Å |
| 511 | N | 92.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 174.7 | -85.5 | -15 | 0 | 0 | 0 | 111.6 | R507 E508 L514 I515 | R507-N511 WeakPolarHBondContact O-CB 3.28Å; R507-N511 PolarHBondContact O-N 3.31Å; E508-N511 PolarHBondContact O-N 3.08Å; N511-L514 PolarHBondContact O-N 3.29Å; N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.5Å; N511-I515 PolarHBondContact O-N 3.19Å |
| 512 | Q | 94.1 | Very high | 93.4 | Very high | 104 Ų | 104 | 109.1 Ų | 109.1 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 177.7 | -168.1 | 64.4 | 21.4 | 0 | 0 | 111.5 | E508 A509 A510 L514 I515 E516 | E508-Q512 WeakPolarHBondContact O-CB 3.29Å; E508-Q512 PolarHBondContact O-N 3.06Å; A509-Q512 PolarHBondContact O-N 3.19Å; A510-Q512 VanDerWaalsContact C-N 3.33Å; A510-Q512 PolarHBondContact O-N 3.12Å; Q512-L514 PolarHBondContact O-N 3Å; Q512-I515 PolarHBondContact O-N 2.92Å; Q512-E516 PolarHBondContact O-N 3.14Å |
| 513 | Q | 93.7 | Very high | 93.2 | Very high | 126 Ų | 126 | 106 Ų | 106 | 59% | 0.589 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 174.3 | -72.5 | 179.7 | -7 | 0 | 0 | 112.2 | A509 A510 I515 E516 E517 | A509-Q513 PolarHBondContact O-N 3.01Å; A509-Q513 VanDerWaalsContact O-N 3.07Å; A510-Q513 PolarHBondContact O-N 3Å; Q513-I515 VanDerWaalsContact C-N 3.31Å; Q513-I515 PolarHBondContact O-N 3.38Å; Q513-E516 PolarHBondContact O-N 3.4Å; Q513-E517 PolarHBondContact O-N 2.97Å |
| 514 | L | 93 | Very high | 93.2 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.6 | -78.6 | 166.2 | 0 | 0 | 0 | 112.3 | A510 N511 Q512 E517 L518 | A510-L514 PolarHBondContact O-N 3.37Å; N511-L514 PolarHBondContact O-N 3.29Å; Q512-L514 PolarHBondContact O-N 3Å; L514-E517 PolarHBondContact O-N 3.42Å; L514-L518 VanDerWaalsContact O-CB 3.25Å; L514-L518 WeakPolarHBondContact O-CB 3.38Å; L514-L518 PolarHBondContact O-N 3.27Å |
| 515 | I | 94 | Very high | 93.1 | Very high | 83 Ų | 83 | 107.7 Ų | 107.7 | 43% | 0.426 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.3 | -70.8 | 165 | 0 | 0 | 0 | 110.4 | N511 Q512 Q513 L518 Q519 | N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.5Å; N511-I515 PolarHBondContact O-N 3.19Å; Q512-I515 PolarHBondContact O-N 2.92Å; Q513-I515 VanDerWaalsContact C-N 3.31Å; Q513-I515 PolarHBondContact O-N 3.38Å; I515-L518 PolarHBondContact O-N 3.33Å; I515-Q519 WeakPolarHBondContact O-CG 3.42Å; I515-Q519 PolarHBondContact O-N 3.31Å |
| 516 | E | 93.9 | Very high | 92.9 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.4 | -72.2 | 176.9 | -172.2 | 0 | 0 | 112.1 | Q512 Q513 L518 Q519 Q520 | Q512-E516 PolarHBondContact O-N 3.14Å; Q513-E516 PolarHBondContact O-N 3.4Å; E516-L518 VanDerWaalsContact C-N 3.3Å; E516-L518 PolarHBondContact O-N 3.04Å; E516-Q519 PolarHBondContact O-N 2.95Å; E516-Q520 WeakPolarHBondContact O-CG 3.2Å; E516-Q520 PolarHBondContact O-N 3.44Å |
| 517 | E | 93.6 | Very high | 92.7 | Very high | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.9 | -75.3 | -169.3 | -176.8 | 0 | 0 | 112.2 | Q513 L514 Q520 K521 | Q513-E517 PolarHBondContact O-N 2.97Å; L514-E517 PolarHBondContact O-N 3.42Å; E517-Q520 PolarHBondContact O-N 3.32Å; E517-K521 WeakPolarHBondContact O-CG 3.5Å; E517-K521 PolarHBondContact O-N 3.08Å |
| 518 | L | 92.8 | Very high | 92.5 | Very high | 126 Ų | 126 | 97 Ų | 97 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -38.2 | -179.9 | -160.2 | 140.6 | 0 | 0 | 0 | 111 | L514 I515 E516 K521 A522 | L514-L518 VanDerWaalsContact O-CB 3.25Å; L514-L518 WeakPolarHBondContact O-CB 3.38Å; L514-L518 PolarHBondContact O-N 3.27Å; I515-L518 PolarHBondContact O-N 3.33Å; E516-L518 VanDerWaalsContact C-N 3.3Å; E516-L518 PolarHBondContact O-N 3.04Å; L518-K521 PolarHBondContact O-N 3.14Å; L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.43Å; L518-A522 PolarHBondContact O-N 3.42Å |
| 519 | Q | 93.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 96.6 Ų | 96.6 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 171.6 | -74 | 177 | -0.5 | 0 | 0 | 112 | I515 E516 A522 A523 | I515-Q519 WeakPolarHBondContact O-CG 3.42Å; I515-Q519 PolarHBondContact O-N 3.31Å; E516-Q519 PolarHBondContact O-N 2.95Å; Q519-A522 PolarHBondContact O-N 3.47Å; Q519-A523 WeakPolarHBondContact O-CB 3.5Å; Q519-A523 PolarHBondContact O-N 2.98Å |
| 520 | Q | 92.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 176.6 | -72.7 | 179 | 8.6 | 0 | 0 | 111.8 | E516 E517 A523 L524 | E516-Q520 WeakPolarHBondContact O-CG 3.2Å; E516-Q520 PolarHBondContact O-N 3.44Å; E517-Q520 PolarHBondContact O-N 3.32Å; Q520-A523 PolarHBondContact O-N 2.9Å; Q520-L524 PolarHBondContact O-N 3.31Å |
| 521 | K | 91.9 | Very high | 91.6 | Very high | 141 Ų | 141 | 105.5 Ų | 105.5 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 176.7 | -76.3 | -179.8 | 179.6 | 166.8 | 0 | 112.2 | E517 L518 L524 L525 | E517-K521 WeakPolarHBondContact O-CG 3.5Å; E517-K521 PolarHBondContact O-N 3.08Å; L518-K521 PolarHBondContact O-N 3.14Å; K521-L524 PolarHBondContact O-N 3.22Å; K521-L525 WeakPolarHBondContact O-CB 3.48Å; K521-L525 PolarHBondContact O-N 2.92Å |
| 522 | A | 91.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 106.1 Ų | 106.1 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L518 Q519 L525 S526 | L518-A522 VanDerWaalsContact O-CB 3.29Å; L518-A522 WeakPolarHBondContact O-CB 3.43Å; L518-A522 PolarHBondContact O-N 3.42Å; Q519-A522 PolarHBondContact O-N 3.47Å; A522-L525 PolarHBondContact O-N 2.95Å; A522-S526 PolarHBondContact O-N 3.07Å |
| 523 | A | 91.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 104.6 Ų | 104.6 | 49% | 0.488 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q519 Q520 L525 S526 V527 | Q519-A523 WeakPolarHBondContact O-CB 3.5Å; Q519-A523 PolarHBondContact O-N 2.98Å; Q520-A523 PolarHBondContact O-N 2.9Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.3Å; A523-S526 WeakPolarHBondContact O-CB 3.12Å; A523-S526 PolarHBondContact O-N 3.23Å; A523-V527 WeakPolarHBondContact O-CG2 3.2Å; A523-V527 PolarHBondContact O-N 3.45Å |
| 524 | L | 92.4 | Very high | 89.9 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.6 | -45.8 | 174.1 | -89.8 | 153.5 | 0 | 0 | 0 | 112.1 | Q520 K521 S526 V527 V528 | Q520-L524 PolarHBondContact O-N 3.31Å; K521-L524 PolarHBondContact O-N 3.22Å; L524-S526 VanDerWaalsContact C-N 3.3Å; L524-S526 PolarHBondContact O-N 2.97Å; L524-V527 PolarHBondContact O-N 3.48Å; L524-V528 WeakPolarHBondContact O-CG2 3.41Å; L524-V528 PolarHBondContact O-N 3.05Å |
| 525 | L | 91.5 | Very high | 89.1 | Confident | 104 Ų | 104 | 107.5 Ų | 107.5 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.5 | -37.8 | 179.6 | -168 | 134.9 | 0 | 0 | 0 | 111.8 | K521 A522 A523 V528 Q529 | K521-L525 WeakPolarHBondContact O-CB 3.48Å; K521-L525 PolarHBondContact O-N 2.92Å; A522-L525 PolarHBondContact O-N 2.95Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.3Å; L525-V528 PolarHBondContact O-N 3.41Å; L525-Q529 HydrophobicContact CD2-CG 4.32Å; L525-Q529 WeakPolarHBondContact O-CB 3.44Å; L525-Q529 WeakPolarHBondContact O-CG 3.41Å; L525-Q529 PolarHBondContact O-N 3.13Å |
| 526 | S | 89.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 113.8 Ų | 113.8 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -39.9 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | A522 A523 L524 R530 | A522-S526 PolarHBondContact O-N 3.07Å; A523-S526 WeakPolarHBondContact O-CB 3.12Å; A523-S526 PolarHBondContact O-N 3.23Å; L524-S526 VanDerWaalsContact C-N 3.3Å; L524-S526 PolarHBondContact O-N 2.97Å; S526-R530 WeakPolarHBondContact O-CB 2.94Å; S526-R530 PolarHBondContact O-N 3.07Å |
| 527 | V | 90.6 | Very high | 86.9 | Confident | 79 Ų | 79 | 114.4 Ų | 114.4 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.3 | -49.3 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | A523 L524 Q529 R530 E531 | A523-V527 WeakPolarHBondContact O-CG2 3.2Å; A523-V527 PolarHBondContact O-N 3.45Å; L524-V527 PolarHBondContact O-N 3.48Å; V527-Q529 VanDerWaalsContact C-N 3.34Å; V527-Q529 PolarHBondContact O-N 3.33Å; V527-R530 WeakPolarHBondContact O-CB 3.49Å; V527-R530 PolarHBondContact O-N 3.39Å; V527-R530 VanDerWaalsContact O-N 3.08Å; V527-E531 PolarHBondContact O-N 3.09Å |
| 528 | V | 88.8 | Confident | 86.6 | Confident | 84 Ų | 84 | 115 Ų | 115 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.3 | -40.6 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L524 L525 R530 E531 L532 | L524-V528 WeakPolarHBondContact O-CG2 3.41Å; L524-V528 PolarHBondContact O-N 3.05Å; L525-V528 PolarHBondContact O-N 3.41Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 PolarHBondContact O-N 2.86Å; V528-E531 PolarHBondContact O-N 3.43Å; V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 PolarHBondContact O-N 3.34Å |
| 529 | Q | 88.4 | Confident | 86.2 | Confident | 120 Ų | 120 | 114.4 Ų | 114.4 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.1 | -38.6 | 174 | -83.4 | 178.9 | -28.9 | 0 | 0 | 112.2 | L525 V527 S533 | L525-Q529 HydrophobicContact CD2-CG 4.32Å; L525-Q529 WeakPolarHBondContact O-CB 3.44Å; L525-Q529 WeakPolarHBondContact O-CG 3.41Å; L525-Q529 PolarHBondContact O-N 3.13Å; V527-Q529 VanDerWaalsContact C-N 3.34Å; V527-Q529 PolarHBondContact O-N 3.33Å; Q529-S533 PolarHBondContact O-N 3.26Å; Q529-S533 VanDerWaalsContact O-N 3.09Å; Q529-S533 PolarHBondContact O-OG 3.12Å |
| 530 | R | 85.9 | Confident | 85.8 | Confident | 176 Ų | 176 | 113.7 Ų | 113.7 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.6 | -38.4 | 176.8 | -173 | 177.6 | 173.6 | 164.3 | -0.5 | 112.3 | S526 V527 V528 S533 Q534 | S526-R530 WeakPolarHBondContact O-CB 2.94Å; S526-R530 PolarHBondContact O-N 3.07Å; V527-R530 WeakPolarHBondContact O-CB 3.49Å; V527-R530 PolarHBondContact O-N 3.39Å; V527-R530 VanDerWaalsContact O-N 3.08Å; V528-R530 VanDerWaalsContact C-N 3.29Å; V528-R530 PolarHBondContact O-N 2.86Å; R530-S533 WeakPolarHBondContact CA-OG 3.29Å; R530-S533 PolarHBondContact O-OG 2.99Å; R530-Q534 WeakPolarHBondContact O-CG 3.44Å; R530-Q534 PolarHBondContact O-N 2.83Å |
| 531 | E | 88 | Confident | 85.4 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.1 | -42.6 | 174.8 | -71.4 | 178.7 | 172.5 | 0 | 0 | 111.7 | V527 V528 S533 Q534 L535 | V527-E531 PolarHBondContact O-N 3.09Å; V528-E531 PolarHBondContact O-N 3.43Å; E531-S533 VanDerWaalsContact C-N 3.34Å; E531-S533 PolarHBondContact O-N 3.35Å; E531-Q534 PolarHBondContact O-N 3.14Å; E531-Q534 VanDerWaalsContact O-N 3.15Å; E531-L535 PolarHBondContact O-N 3.06Å |
| 532 | L | 83.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 110.7 Ų | 110.7 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.1 | -44.2 | 177.2 | -166.8 | 84.5 | 0 | 0 | 0 | 111.5 | V528 Q534 L535 E536 | V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 PolarHBondContact O-N 3.34Å; L532-Q534 PolarHBondContact O-N 3.49Å; L532-L535 PolarHBondContact O-N 3.29Å; L532-L535 VanDerWaalsContact O-N 3.09Å; L532-E536 PolarHBondContact O-N 3.12Å |
| 533 | S | 81.6 | Confident | 84.4 | Confident | 73 Ų | 73 | 114.6 Ų | 114.6 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.3 | -7 | 179 | 41.9 | 0 | 0 | 0 | 0 | 114.5 | Q529 R530 E531 | Q529-S533 PolarHBondContact O-N 3.26Å; Q529-S533 VanDerWaalsContact O-N 3.09Å; Q529-S533 PolarHBondContact O-OG 3.12Å; R530-S533 WeakPolarHBondContact CA-OG 3.29Å; R530-S533 PolarHBondContact O-OG 2.99Å; E531-S533 VanDerWaalsContact C-N 3.34Å; E531-S533 PolarHBondContact O-N 3.35Å |
| 534 | Q | 79.1 | Confident | 83.9 | Confident | 138 Ų | 138 | 118.8 Ų | 118.8 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -12.3 | 169.5 | -72.8 | 179.4 | -5.4 | 0 | 0 | 113.3 | R530 E531 L532 | R530-Q534 WeakPolarHBondContact O-CG 3.44Å; R530-Q534 PolarHBondContact O-N 2.83Å; E531-Q534 PolarHBondContact O-N 3.14Å; E531-Q534 VanDerWaalsContact O-N 3.15Å; L532-Q534 PolarHBondContact O-N 3.49Å |
| 535 | L | 74.9 | Confident | 83.2 | Confident | 152 Ų | 152 | 119.4 Ų | 119.4 | 80% | 0.796 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -16.8 | 179.5 | -76.9 | 162 | 0 | 0 | 0 | 113.2 | E531 L532 | E531-L535 PolarHBondContact O-N 3.06Å; L532-L535 PolarHBondContact O-N 3.29Å; L532-L535 VanDerWaalsContact O-N 3.09Å |
| 536 | E | 56.1 | Low | 82.4 | Confident | 214 Ų | 214 | 120.8 Ų | 120.8 | 100% | 1 | 62% | 0.615 | S | S | * | * | trans | -85.5 | 0 | 165.8 | -65.4 | -176.9 | 158.4 | 0 | 0 | 110.8 | L532 | L532-E536 PolarHBondContact O-N 3.12Š|
Retrieved 536 of 536 residues in 420.9 ms
(Link to these results)