| 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 | 40.3 | Very low | 71.7 | Confident | 201 Ų | 201 | 78.6 Ų | 78.6 | 99% | 0.99 | 45% | 0.446 | S | S | * | . | 0 | 161 | 0 | -72.8 | 170.6 | 170 | 0 | 0 | 106.9 | |||||
| 2 | A | 38.2 | Very low | 73.9 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | trans | -70.9 | 132.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | D | 47.3 | Very low | 75.8 | Confident | 144 Ų | 144 | 67.5 Ų | 67.5 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | trans | -67.4 | 144.7 | 179.3 | -74.1 | -46.2 | 0 | 0 | 0 | 111 | A5 | D3-A5 PolarHBondContact O-N 3.15Å; D3-A5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | P | 59.9 | Low | 77.4 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 51% | 0.506 | 36% | 0.361 | S | S | . | . | trans | -63.3 | 115.3 | -179.7 | 24.8 | -33.4 | 0 | 0 | 0 | 111.1 | T328 T330 | P4-T328 HydrophobicContact CB-CG2 3.67Å; P4-T330 HydrophobicContact CB-CG2 3.73Å | ||
| 5 | A | 69.6 | Low | 78.8 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111 | D3 C7 V329 | D3-A5 PolarHBondContact O-N 3.15Å; D3-A5 VanDerWaalsContact O-N 3.15Å; A5-C7 PolarHBondContact O-N 2.7Å; A5-V329 PolarHBondContact N-O 3.14Å; A5-V329 VanDerWaalsContact N-O 3.08Å; A5-V329 PolarHBondContact O-N 3.32Å |
| 6 | E | 76.1 | Confident | 79.9 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 61% | 0.612 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 126.2 | 165.8 | -74.4 | -166.9 | 136.7 | 0 | 0 | 110 | K326 N327 | E6-K326 HydrophobicContact CB-CD 4.41Å; E6-K326 VanDerWaalsContact CD-CD 3.46Å; E6-K326 HydrophobicContact CG-CD 4.27Å; E6-K326 WeakPolarHBondContact OE1-CD 3.45Å; E6-K326 IonicContact OE1-NZ 2.66Å; E6-K326 PolarHBondContact OE1-NZ 3.48Å; E6-K326 IonicContact OE2-NZ 3.16Å; E6-K326 PolarHBondContact OE2-NZ 3.46Å; E6-N327 WeakPolarHBondContact CA-O 3.39Å |
| 7 | C | 83.4 | Confident | 80.9 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118.8 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | A5 N327 V329 | A5-C7 PolarHBondContact O-N 2.7Å; C7-N327 PolarHBondContact N-O 2.94Å; C7-N327 PolarHBondContact O-N 2.65Å; C7-V329 HydrophobicContact CB-CG2 3.78Å |
| 8 | T | 88.1 | Confident | 81.7 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 142.4 | 173.4 | 50.1 | 0 | 0 | 0 | 0 | 111.3 | K10 I325 K326 | T8-K10 PolarHBondContact O-N 2.7Å; T8-I325 WeakPolarHBondContact CA-O 3.15Å; T8-K326 HydrophobicContact CG2-CG 4.33Å |
| 9 | I | 93.5 | Very high | 82.2 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 128.4 | 171.6 | -61.8 | -169 | 0 | 0 | 0 | 109.2 | L290 T296 I298 I325 | I9-L290 HydrophobicContact CD1-CD2 3.72Å; I9-T296 HydrophobicContact CD1-CG2 4.29Å; I9-T296 HydrophobicContact CG2-CG2 3.97Å; I9-I298 HydrophobicContact CG2-CD1 3.73Å; I9-I298 HydrophobicContact CG2-CG1 4.1Å; I9-I325 HydrophobicContact CD1-CB 3.8Å; I9-I325 HydrophobicContact CD1-CD1 4.34Å; I9-I325 HydrophobicContact CD1-CG2 3.6Å; I9-I325 HydrophobicContact CG1-CB 4.06Å; I9-I325 HydrophobicContact CG1-CG2 4.04Å; I9-I325 PolarHBondContact N-O 2.95Å |
| 10 | K | 95.6 | Very high | 82.7 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 136.2 | 176.8 | -68.6 | 177.4 | -177.4 | 170 | 0 | 110.3 | T8 M12 D49 T296 T297 I298 | T8-K10 PolarHBondContact O-N 2.7Å; K10-M12 HydrophobicContact CB-CE 4.32Å; K10-M12 HydrophobicContact CD-CE 4.44Å; K10-D49 WeakPolarHBondContact CA-OD2 3.35Å; K10-T296 PolarHBondContact N-O 3.21Å; K10-T297 CarbonylContact O-C 3.58Å; K10-T297 WeakPolarHBondContact O-CA 3.48Å; K10-I298 PolarHBondContact O-N 3.06Å |
| 11 | V | 97.3 | Very high | 83 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.1 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | F48 D49 I298 I300 A322 K323 | V11-F48 HydrophobicContact CB-CD1 4.22Å; V11-F48 HydrophobicContact CG1-CD1 3.68Å; V11-F48 HydrophobicContact CG1-CE1 4.1Å; V11-F48 WeakPolarHBondContact O-CB 3.39Å; V11-D49 PolarHBondContact N-OD2 2.71Å; V11-D49 WeakPolarHBondContact O-CB 3.48Å; V11-D49 PolarHBondContact O-N 2.92Å; V11-I298 CarbonylContact C-O 3.54Å; V11-I298 WeakPolarHBondContact CA-O 3.3Å; V11-I298 HydrophobicContact CG2-CB 4.41Å; V11-I300 HydrophobicContact CG1-CD1 4.25Å; V11-I300 HydrophobicContact CG1-CG1 4.43Å; V11-I300 HydrophobicContact CG1-CG2 4.21Å; V11-A322 HydrophobicContact CG2-CB 4.15Å; V11-K323 HydrophobicContact CB-CB 4.24Å; V11-K323 HydrophobicContact CG2-CB 3.75Å |
| 12 | M | 97.8 | Very high | 85.6 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.3 | -178.2 | -54 | -66.5 | -175.2 | 0 | 0 | 108.6 | K10 D49 R50 F52 T297 I298 V299 I300 | K10-M12 HydrophobicContact CB-CE 4.32Å; K10-M12 HydrophobicContact CD-CE 4.44Å; M12-D49 HydrophobicContact CE-CB 3.88Å; M12-D49 HydrophobicContact SD-CB 3.72Å; M12-R50 WeakPolarHBondContact CA-O 3.48Å; M12-R50 HydrophobicContact SD-CB 3.55Å; M12-R50 VanDerWaalsContact SD-CB 3.55Å; M12-R50 PolarHBondContact SD-N 2.98Å; M12-R50 VanDerWaalsContact SD-N 3.43Å; M12-F52 HydrophobicContact CB-CE2 3.8Å; M12-F52 HydrophobicContact CB-CZ 4.5Å; M12-F52 HydrophobicContact CG-CE2 4.45Å; M12-T297 HydrophobicContact CG-CG2 3.96Å; M12-I298 PolarHBondContact N-O 2.74Å; M12-V299 CarbonylContact O-C 3.52Å; M12-V299 VanDerWaalsContact O-CA 3.31Å; M12-V299 WeakPolarHBondContact O-CA 3.05Å; M12-I300 PolarHBondContact O-N 2.76Å |
| 13 | C | 98.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.3 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | F15 F48 R50 V51 F52 I300 | C13-F15 WeakPolarHBondContact SG-CE2 3.37Å; C13-F48 HydrophobicContact CB-CD2 3.94Å; C13-F48 HydrophobicContact CB-CE2 4.29Å; C13-F48 HydrophobicContact CB-CG 4.25Å; C13-R50 PolarHBondContact N-O 3.12Å; C13-V51 HydrophobicContact CB-CG2 4.07Å; C13-V51 CarbonylContact O-C 3.6Å; C13-V51 WeakPolarHBondContact O-CA 3.1Å; C13-F52 WeakPolarHBondContact O-CD2 3.49Å; C13-F52 PolarHBondContact O-N 2.92Å; C13-I300 WeakPolarHBondContact CA-O 3.04Å; C13-I300 HydrophobicContact CB-CD1 4.14Å; C13-I300 HydrophobicContact CB-CG1 3.85Å |
| 14 | R | 98.4 | Very high | 90.5 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 119.2 | 174 | -169.1 | -179.1 | -167.8 | -179.9 | 9.7 | 111 | F52 T56 Q58 T94 V299 I300 C301 C302 | R14-F52 HydrophobicContact CB-CB 4.38Å; R14-F52 HydrophobicContact CB-CD2 4.13Å; R14-F52 HydrophobicContact CG-CB 4.11Å; R14-F52 HydrophobicContact CG-CD2 4.41Å; R14-T56 PolarHBondContact NH2-O 2.84Å; R14-Q58 VanDerWaalsContact CZ-OE1 3.3Å; R14-T94 WeakPolarHBondContact CD-OG1 3.35Å; R14-T94 PolarHBondContact NH1-OG1 3.16Å; R14-V299 HydrophobicContact CB-CG1 4.19Å; R14-I300 PolarHBondContact N-O 2.73Å; R14-C301 CarbonylContact O-C 3.56Å; R14-C301 WeakPolarHBondContact O-CA 3.43Å; R14-C302 PolarHBondContact O-N 2.87Å |
| 15 | F | 98.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.9 | 163.6 | -72.6 | -91.9 | 0 | 0 | 0 | 109.7 | C13 P31 F33 V39 I41 F52 Q53 S54 C302 P304 T312 | C13-F15 WeakPolarHBondContact SG-CE2 3.37Å; F15-P31 HydrophobicContact CD1-CB 4.14Å; F15-P31 HydrophobicContact CD1-CG 3.75Å; F15-P31 HydrophobicContact CE1-CB 3.79Å; F15-P31 HydrophobicContact CE1-CG 3.83Å; F15-P31 HydrophobicContact CE2-CB 4.39Å; F15-P31 HydrophobicContact CG-CG 4.29Å; F15-P31 HydrophobicContact CZ-CB 3.93Å; F15-P31 HydrophobicContact CZ-CG 4.44Å; F15-F33 HydrophobicContact CB-CZ 4.39Å; F15-F33 AromaticContact CD2-CE1 3.71Å; F15-F33 HydrophobicContact CD2-CE1 3.71Å; F15-F33 AromaticContact CD2-CZ 3.97Å; F15-F33 HydrophobicContact CD2-CZ 3.97Å; F15-F33 HydrophobicContact CE2-CE1 4.05Å; F15-F33 HydrophobicContact CG-CE1 4.39Å; F15-F33 HydrophobicContact CG-CZ 4.18Å; F15-V39 HydrophobicContact CE2-CB 4.22Å; F15-V39 HydrophobicContact CE2-CG1 4.17Å; F15-V39 HydrophobicContact CE2-CG2 3.78Å; F15-V39 HydrophobicContact CZ-CG1 4.47Å; F15-V39 HydrophobicContact CZ-CG2 3.92Å; F15-I41 HydrophobicContact CZ-CD1 4.25Å; F15-F52 PolarHBondContact N-O 3.39Å; F15-Q53 CarbonylContact O-C 3.54Å; F15-S54 WeakPolarHBondContact O-CA 3.38Å; F15-C302 HydrophobicContact CD1-CB 3.64Å; F15-C302 HydrophobicContact CE1-CB 3.4Å; F15-C302 VanDerWaalsContact CE1-CB 3.4Å; F15-C302 HydrophobicContact CE2-CB 4.32Å; F15-C302 HydrophobicContact CG-CB 4.21Å; F15-C302 HydrophobicContact CZ-CB 3.78Å; F15-P304 HydrophobicContact CD1-CB 4.25Å; F15-T312 HydrophobicContact CE1-CG2 3.93Å; F15-T312 HydrophobicContact CZ-CG2 4.11Å |
| 16 | R | 96.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 171.8 | 166.3 | 62.3 | 154 | 173.1 | 76.8 | -2.4 | 111.2 | N19 E22 S54 S88 S89 C302 S303 P304 | R16-N19 PolarHBondContact NH2-ND2 2.99Å; R16-E22 IonicContact CZ-OE1 2.65Å; R16-E22 IonicContact CZ-OE2 3.61Å; R16-E22 IonicContact NH1-OE1 2.78Å; R16-E22 PolarHBondContact NH1-OE1 2.64Å; R16-E22 IonicContact NH1-OE2 2.75Å; R16-E22 PolarHBondContact NH1-OE2 3.22Å; R16-E22 IonicContact NH2-OE1 3.2Å; R16-E22 PolarHBondContact NH2-OE1 2.82Å; R16-E22 IonicContact NH2-OE2 3.61Å; R16-E22 PolarHBondContact NH2-OE2 3.12Å; R16-S54 WeakPolarHBondContact O-CB 3.44Å; R16-S54 PolarHBondContact O-OG 3.26Å; R16-S88 VanDerWaalsContact CZ-O 3.23Å; R16-S88 PolarHBondContact NE-O 3Å; R16-S88 PolarHBondContact NH2-O 2.93Å; R16-S89 WeakPolarHBondContact CG-O 3.01Å; R16-C302 PolarHBondContact N-O 3.27Å; R16-S303 PolarHBondContact NH2-OG 2.83Å; R16-P304 VanDerWaalsContact O-CD 3.31Å; R16-P304 WeakPolarHBondContact O-CD 3.41Å; R16-P304 VanDerWaalsContact O-CG 3.31Å; R16-P304 WeakPolarHBondContact O-CG 3.49Å |
| 17 | P | 96.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 49% | 0.494 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 162.6 | 162.7 | -23.5 | 34.3 | 0 | 0 | 0 | 112.7 | S54 | P17-S54 WeakPolarHBondContact CG-O 3.46Š|
| 18 | L | 94.4 | Very high | 94.7 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -63 | 140 | 161.3 | -72.1 | 168 | 0 | 0 | 0 | 109.1 | E22 V23 Y29 P304 | L18-E22 WeakPolarHBondContact CA-OE2 2.99Å; L18-E22 HydrophobicContact CD2-CB 4.1Å; L18-V23 HydrophobicContact CB-CG2 3.84Å; L18-V23 HydrophobicContact CD1-CG2 4.49Å; L18-Y29 HydrophobicContact CD1-CD2 4.23Å; L18-Y29 HydrophobicContact CG-CD2 4.19Å; L18-P304 HydrophobicContact CD2-CG 3.86Å; L18-P304 HydrophobicContact CG-CG 3.92Å |
| 19 | N | 92.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 164.2 | 175.7 | 73 | 51.8 | 0 | 0 | 0 | 111.7 | R16 S21 E22 V23 | R16-N19 PolarHBondContact NH2-ND2 2.99Å; N19-S21 PolarHBondContact O-N 3.28Å; N19-S21 VanDerWaalsContact O-N 3.15Å; N19-S21 WeakPolarHBondContact OD1-CA 3.48Å; N19-S21 WeakPolarHBondContact OD1-CB 3.32Å; N19-S21 PolarHBondContact OD1-N 2.72Å; N19-E22 PolarHBondContact N-OE2 2.8Å; N19-E22 VanDerWaalsContact ND2-CD 3.26Å; N19-E22 PolarHBondContact ND2-OE2 3.31Å; N19-E22 PolarHBondContact O-N 2.73Å; N19-E22 VanDerWaalsContact O-N 3.1Å; N19-E22 PolarHBondContact OD1-N 3.47Å; N19-V23 WeakPolarHBondContact O-CG2 3.4Å; N19-V23 PolarHBondContact O-N 3.39Å |
| 20 | S | 91.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 69% | 0.685 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -55.7 | -34.3 | -176.2 | -46.8 | 0 | 0 | 0 | 0 | 113.7 | T24 | S20-T24 VanDerWaalsContact O-CB 3.27Å; S20-T24 WeakPolarHBondContact O-CB 3.2Å; S20-T24 PolarHBondContact O-N 3.12Å; S20-T24 PolarHBondContact O-OG1 2.87Å |
| 21 | S | 90.1 | Very high | 95.4 | Very high | 87 Ų | 87 | 54.5 Ų | 54.5 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.8 | -38.6 | 179 | -50.1 | 0 | 0 | 0 | 0 | 112.3 | N19 R25 | N19-S21 PolarHBondContact O-N 3.28Å; N19-S21 VanDerWaalsContact O-N 3.15Å; N19-S21 WeakPolarHBondContact OD1-CA 3.48Å; N19-S21 WeakPolarHBondContact OD1-CB 3.32Å; N19-S21 PolarHBondContact OD1-N 2.72Å; S21-R25 WeakPolarHBondContact O-CB 3.49Å; S21-R25 PolarHBondContact O-N 2.9Å |
| 22 | E | 93.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 2% | 0.023 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 172.9 | -67.6 | 168.5 | 158.1 | 0 | 0 | 110.8 | R16 L18 N19 R25 G26 D27 S303 | R16-E22 IonicContact CZ-OE1 2.65Å; R16-E22 IonicContact CZ-OE2 3.61Å; R16-E22 IonicContact NH1-OE1 2.78Å; R16-E22 PolarHBondContact NH1-OE1 2.64Å; R16-E22 IonicContact NH1-OE2 2.75Å; R16-E22 PolarHBondContact NH1-OE2 3.22Å; R16-E22 IonicContact NH2-OE1 3.2Å; R16-E22 PolarHBondContact NH2-OE1 2.82Å; R16-E22 IonicContact NH2-OE2 3.61Å; R16-E22 PolarHBondContact NH2-OE2 3.12Å; L18-E22 WeakPolarHBondContact CA-OE2 2.99Å; L18-E22 HydrophobicContact CD2-CB 4.1Å; N19-E22 PolarHBondContact N-OE2 2.8Å; N19-E22 VanDerWaalsContact ND2-CD 3.26Å; N19-E22 PolarHBondContact ND2-OE2 3.31Å; N19-E22 PolarHBondContact O-N 2.73Å; N19-E22 VanDerWaalsContact O-N 3.1Å; N19-E22 PolarHBondContact OD1-N 3.47Å; E22-R25 PolarHBondContact O-N 2.89Å; E22-G26 PolarHBondContact O-N 3.44Å; E22-D27 WeakPolarHBondContact CA-OD2 3.43Å; E22-D27 HydrophobicContact CB-CB 4.09Å; E22-D27 VanDerWaalsContact CB-OD2 3.24Å; E22-D27 WeakPolarHBondContact CB-OD2 3.41Å; E22-D27 WeakPolarHBondContact CG-OD2 3.25Å; E22-D27 VanDerWaalsContact O-CB 3.26Å; E22-D27 WeakPolarHBondContact O-CB 3.22Å; E22-D27 PolarHBondContact O-N 3.33Å; E22-S303 PolarHBondContact OE1-OG 2.88Å |
| 23 | V | 93.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | L18 N19 R25 G26 | L18-V23 HydrophobicContact CB-CG2 3.84Å; L18-V23 HydrophobicContact CD1-CG2 4.49Å; N19-V23 WeakPolarHBondContact O-CG2 3.4Å; N19-V23 PolarHBondContact O-N 3.39Å; V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 3.41Å; V23-G26 PolarHBondContact O-N 2.84Å |
| 24 | T | 94.6 | Very high | 95.2 | Very high | 125 Ų | 125 | 68.8 Ų | 68.8 | 77% | 0.767 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.4 | -31.4 | 178.5 | -57 | 0 | 0 | 0 | 0 | 112.3 | S20 G26 | S20-T24 VanDerWaalsContact O-CB 3.27Å; S20-T24 WeakPolarHBondContact O-CB 3.2Å; S20-T24 PolarHBondContact O-N 3.12Å; S20-T24 PolarHBondContact O-OG1 2.87Å; T24-G26 PolarHBondContact O-N 3.34Å |
| 25 | R | 93.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.8 | 172.6 | -175.6 | 166.1 | 60.9 | -149.4 | -6.4 | 113.4 | S21 E22 V23 D27 | S21-R25 WeakPolarHBondContact O-CB 3.49Å; S21-R25 PolarHBondContact O-N 2.9Å; E22-R25 PolarHBondContact O-N 2.89Å; V23-R25 VanDerWaalsContact C-N 3.29Å; V23-R25 PolarHBondContact O-N 3.41Å; R25-D27 IonicContact CZ-OD1 2.73Å; R25-D27 IonicContact CZ-OD2 3.35Å; R25-D27 IonicContact NE-OD1 2.69Å; R25-D27 PolarHBondContact NE-OD1 3.27Å; R25-D27 IonicContact NE-OD2 3.52Å; R25-D27 PolarHBondContact NE-OD2 2.92Å; R25-D27 IonicContact NH2-OD1 3.89Å; R25-D27 IonicContact NH2-OD2 3.31Å; R25-D27 PolarHBondContact NH2-OD2 2.97Å |
| 26 | G | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 76.5 Ų | 76.5 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 23.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E22 V23 T24 | E22-G26 PolarHBondContact O-N 3.44Å; V23-G26 PolarHBondContact O-N 2.84Å; T24-G26 PolarHBondContact O-N 3.34Å |
| 27 | D | 95.2 | Very high | 94.7 | Very high | 19 Ų | 19 | 78.5 Ų | 78.5 | 10% | 0.102 | 43% | 0.433 | C | S | . | . | trans | -62.2 | 141.2 | 177.4 | -68.6 | -11.5 | 0 | 0 | 0 | 111.2 | E22 R25 S305 | E22-D27 WeakPolarHBondContact CA-OD2 3.43Å; E22-D27 HydrophobicContact CB-CB 4.09Å; E22-D27 VanDerWaalsContact CB-OD2 3.24Å; E22-D27 WeakPolarHBondContact CB-OD2 3.41Å; E22-D27 WeakPolarHBondContact CG-OD2 3.25Å; E22-D27 VanDerWaalsContact O-CB 3.26Å; E22-D27 WeakPolarHBondContact O-CB 3.22Å; E22-D27 PolarHBondContact O-N 3.33Å; R25-D27 IonicContact CZ-OD1 2.73Å; R25-D27 IonicContact CZ-OD2 3.35Å; R25-D27 IonicContact NE-OD1 2.69Å; R25-D27 PolarHBondContact NE-OD1 3.27Å; R25-D27 IonicContact NE-OD2 3.52Å; R25-D27 PolarHBondContact NE-OD2 2.92Å; R25-D27 IonicContact NH2-OD1 3.89Å; R25-D27 IonicContact NH2-OD2 3.31Å; R25-D27 PolarHBondContact NH2-OD2 2.97Å; D27-S305 WeakPolarHBondContact CB-OG 3.14Å; D27-S305 WeakPolarHBondContact OD2-CB 3.22Å; D27-S305 PolarHBondContact OD2-OG 3.45Å | ||
| 28 | K | 94.8 | Very high | 94.7 | Very high | 158 Ų | 158 | 75.5 Ų | 75.5 | 69% | 0.687 | 41% | 0.414 | S | S | * | . | trans | -94.4 | 144.2 | 178.7 | -64.6 | -179.9 | -178.1 | 176.8 | 0 | 110.9 | I30 S306 | K28-I30 PolarHBondContact O-N 2.97Å; K28-S306 PolarHBondContact N-OG 3.49Å; K28-S306 PolarHBondContact O-N 2.7Å | ||
| 29 | Y | 96.9 | Very high | 94.9 | Very high | 99 Ų | 99 | 73.4 Ų | 73.4 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 107.1 | 170.2 | -165 | -83.8 | 0 | 0 | 0 | 109.4 | L18 P31 F33 S54 P304 | L18-Y29 HydrophobicContact CD1-CD2 4.23Å; L18-Y29 HydrophobicContact CG-CD2 4.19Å; Y29-P31 HydrophobicContact CD1-CG 4.08Å; Y29-P31 HydrophobicContact CE1-CG 3.53Å; Y29-P31 WeakPolarHBondContact CE1-O 3.39Å; Y29-F33 HydrophobicContact CE1-CE2 4.21Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.42Å; Y29-S54 WeakPolarHBondContact CE2-OG 3.45Å; Y29-S54 PolarHBondContact OH-OG 3.4Å; Y29-P304 WeakPolarHBondContact CA-O 3.47Å; Y29-P304 HydrophobicContact CD2-CB 3.56Å; Y29-P304 HydrophobicContact CD2-CG 3.89Å; Y29-P304 HydrophobicContact CE1-CB 4.47Å; Y29-P304 HydrophobicContact CE2-CB 3.36Å; Y29-P304 HydrophobicContact CE2-CG 3.69Å; Y29-P304 HydrophobicContact CG-CB 4.18Å |
| 30 | I | 97.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | trans | -92.1 | -29.8 | -174.8 | 68.1 | 175.3 | 0 | 0 | 0 | 117.5 | K28 I41 P304 E309 | K28-I30 PolarHBondContact O-N 2.97Å; I30-I41 HydrophobicContact CD1-CG2 4.13Å; I30-P304 PolarHBondContact N-O 2.82Å; I30-E309 HydrophobicContact CD1-CB 3.6Å; I30-E309 HydrophobicContact CD1-CG 3.69Å | ||
| 31 | P | 96.9 | Very high | 95.4 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 5% | 0.045 | 36% | 0.363 | C | S | . | . | trans | -74.9 | 135 | -172.2 | 28.8 | -32.3 | 0 | 0 | 0 | 111.7 | F15 Y29 F33 V39 I41 P304 | F15-P31 HydrophobicContact CD1-CB 4.14Å; F15-P31 HydrophobicContact CD1-CG 3.75Å; F15-P31 HydrophobicContact CE1-CB 3.79Å; F15-P31 HydrophobicContact CE1-CG 3.83Å; F15-P31 HydrophobicContact CE2-CB 4.39Å; F15-P31 HydrophobicContact CG-CG 4.29Å; F15-P31 HydrophobicContact CZ-CB 3.93Å; F15-P31 HydrophobicContact CZ-CG 4.44Å; Y29-P31 HydrophobicContact CD1-CG 4.08Å; Y29-P31 HydrophobicContact CE1-CG 3.53Å; Y29-P31 WeakPolarHBondContact CE1-O 3.39Å; P31-F33 HydrophobicContact CB-CE1 4.24Å; P31-F33 HydrophobicContact CB-CE2 4.46Å; P31-F33 HydrophobicContact CB-CZ 3.89Å; P31-F33 HydrophobicContact CG-CE2 4.45Å; P31-F33 HydrophobicContact CG-CZ 3.99Å; P31-V39 HydrophobicContact CB-CG2 3.73Å; P31-I41 HydrophobicContact CB-CD1 3.75Å; P31-P304 HydrophobicContact CG-CB 3.74Å | ||
| 32 | K | 97.1 | Very high | 95.5 | Very high | 153 Ų | 153 | 66.7 Ų | 66.7 | 67% | 0.665 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134.2 | 170.4 | -61.3 | -178.3 | -179.4 | -176.4 | 0 | 108.8 | V39 V40 | K32-V39 CarbonylContact O-C 3.54Å; K32-V39 WeakPolarHBondContact O-CA 3.21Å; K32-V40 HydrophobicContact CB-CB 4.37Å; K32-V40 PolarHBondContact N-O 3.35Å; K32-V40 PolarHBondContact O-N 3.27Å |
| 33 | F | 96.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 20% | 0.197 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 146.4 | -175.5 | -55.4 | -72.3 | 0 | 0 | 0 | 111.5 | F15 Y29 P31 V39 V51 Q53 | F15-F33 HydrophobicContact CB-CZ 4.39Å; F15-F33 AromaticContact CD2-CE1 3.71Å; F15-F33 HydrophobicContact CD2-CE1 3.71Å; F15-F33 AromaticContact CD2-CZ 3.97Å; F15-F33 HydrophobicContact CD2-CZ 3.97Å; F15-F33 HydrophobicContact CE2-CE1 4.05Å; F15-F33 HydrophobicContact CG-CE1 4.39Å; F15-F33 HydrophobicContact CG-CZ 4.18Å; Y29-F33 HydrophobicContact CE1-CE2 4.21Å; Y29-F33 WeakPolarHBondContact OH-CE2 3.42Å; P31-F33 HydrophobicContact CB-CE1 4.24Å; P31-F33 HydrophobicContact CB-CE2 4.46Å; P31-F33 HydrophobicContact CB-CZ 3.89Å; P31-F33 HydrophobicContact CG-CE2 4.45Å; P31-F33 HydrophobicContact CG-CZ 3.99Å; F33-V39 HydrophobicContact CD1-CB 4.22Å; F33-V39 HydrophobicContact CD1-CG2 4.03Å; F33-V39 HydrophobicContact CE1-CB 4.32Å; F33-V39 HydrophobicContact CE1-CG2 3.86Å; F33-V51 HydrophobicContact CD1-CG1 3.61Å; F33-V51 HydrophobicContact CE1-CG1 3.65Å; F33-Q53 HydrophobicContact CB-CG 4.47Å; F33-Q53 HydrophobicContact CD1-CG 3.97Å; F33-Q53 HydrophobicContact CD2-CB 4.39Å; F33-Q53 HydrophobicContact CD2-CG 3.62Å; F33-Q53 HydrophobicContact CE1-CG 4.09Å; F33-Q53 HydrophobicContact CE2-CB 4.07Å; F33-Q53 HydrophobicContact CE2-CG 3.76Å; F33-Q53 HydrophobicContact CG-CG 3.74Å; F33-Q53 HydrophobicContact CZ-CB 4.25Å; F33-Q53 HydrophobicContact CZ-CG 4Å |
| 34 | Q | 95.3 | Very high | 95.5 | Very high | 113 Ų | 113 | 69.7 Ų | 69.7 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 118.3 | 175.2 | -69.1 | 180 | -30.1 | 0 | 0 | 107.3 | T38 V40 | Q34-T38 HydrophobicContact CB-CG2 4.28Å; Q34-T38 PolarHBondContact N-O 3.19Å; Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.37Å; Q34-T38 PolarHBondContact O-N 3.04Å; Q34-V40 HydrophobicContact CG-CG2 4.21Å |
| 35 | G | 93.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -152.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 36 | E | 94.2 | Very high | 95.8 | Very high | 120 Ų | 120 | 61.7 Ų | 61.7 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -2.1 | 175.6 | -71.3 | -163.2 | -151.3 | 0 | 0 | 113.8 | R50 V51 | E36-R50 CarbonylContact O-C 3.6Å; E36-R50 WeakPolarHBondContact O-CA 3.38Å; E36-R50 WeakPolarHBondContact O-CG 3.43Å; E36-R50 IonicContact OE1-NH2 3.71Å; E36-R50 IonicContact OE2-CZ 2.91Å; E36-R50 IonicContact OE2-NE 3.93Å; E36-R50 PolarHBondContact OE2-NE 2.82Å; E36-R50 IonicContact OE2-NH2 3.3Å; E36-R50 PolarHBondContact OE2-NH2 2.96Å; E36-V51 PolarHBondContact O-N 3.3Å |
| 37 | D | 96.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -10.5 | -167.9 | 65.3 | -3.1 | 0 | 0 | 0 | 114.4 | M47 F48 V51 | D37-M47 CarbonylContact O-C 3.57Å; D37-M47 WeakPolarHBondContact O-CA 3.41Å; D37-F48 PolarHBondContact O-N 2.87Å; D37-V51 WeakPolarHBondContact O-CG2 3.4Å |
| 38 | T | 97.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.9 | -168.7 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | Q34 P45 Y46 M47 | Q34-T38 HydrophobicContact CB-CG2 4.28Å; Q34-T38 PolarHBondContact N-O 3.19Å; Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.37Å; Q34-T38 PolarHBondContact O-N 3.04Å; T38-P45 HydrophobicContact CG2-CB 4.04Å; T38-Y46 WeakPolarHBondContact CA-O 3.43Å; T38-M47 HydrophobicContact CG2-CG 4.06Å; T38-M47 WeakPolarHBondContact OG1-CG 3.45Å |
| 39 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.6 | 170.1 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | F15 P31 K32 F33 I41 P45 Y46 F48 V51 L316 | F15-V39 HydrophobicContact CE2-CB 4.22Å; F15-V39 HydrophobicContact CE2-CG1 4.17Å; F15-V39 HydrophobicContact CE2-CG2 3.78Å; F15-V39 HydrophobicContact CZ-CG1 4.47Å; F15-V39 HydrophobicContact CZ-CG2 3.92Å; P31-V39 HydrophobicContact CB-CG2 3.73Å; K32-V39 CarbonylContact O-C 3.54Å; K32-V39 WeakPolarHBondContact O-CA 3.21Å; F33-V39 HydrophobicContact CD1-CB 4.22Å; F33-V39 HydrophobicContact CD1-CG2 4.03Å; F33-V39 HydrophobicContact CE1-CB 4.32Å; F33-V39 HydrophobicContact CE1-CG2 3.86Å; V39-I41 HydrophobicContact CG2-CD1 3.94Å; V39-I41 HydrophobicContact CG2-CG1 4.48Å; V39-P45 CarbonylContact O-C 3.53Å; V39-P45 WeakPolarHBondContact O-CA 3.5Å; V39-Y46 PolarHBondContact N-O 3Å; V39-Y46 PolarHBondContact O-N 3.4Å; V39-F48 HydrophobicContact CG1-CE2 4.25Å; V39-V51 HydrophobicContact CB-CG1 4.14Å; V39-L316 HydrophobicContact CG1-CD1 4.31Å; V39-L316 HydrophobicContact CG1-CD2 3.84Å |
| 40 | V | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.9 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | K32 Q34 K44 P45 | K32-V40 HydrophobicContact CB-CB 4.37Å; K32-V40 PolarHBondContact N-O 3.35Å; K32-V40 PolarHBondContact O-N 3.27Å; Q34-V40 HydrophobicContact CG-CG2 4.21Å; V40-K44 WeakPolarHBondContact CA-O 3.39Å; V40-P45 HydrophobicContact CG2-CB 4.24Å |
| 41 | I | 96.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.9 | 174.1 | -49.8 | -62.8 | 0 | 0 | 0 | 108.4 | F15 I30 P31 V39 G43 K44 Y46 E309 T312 K313 L316 | F15-I41 HydrophobicContact CZ-CD1 4.25Å; I30-I41 HydrophobicContact CD1-CG2 4.13Å; P31-I41 HydrophobicContact CB-CD1 3.75Å; V39-I41 HydrophobicContact CG2-CD1 3.94Å; V39-I41 HydrophobicContact CG2-CG1 4.48Å; I41-G43 PolarHBondContact O-N 3.27Å; I41-G43 VanDerWaalsContact O-N 3.14Å; I41-K44 PolarHBondContact N-O 2.81Å; I41-K44 PolarHBondContact O-N 2.78Å; I41-Y46 HydrophobicContact CB-CE2 4.22Å; I41-Y46 HydrophobicContact CG1-CE2 4.4Å; I41-E309 HydrophobicContact CG2-CG 3.94Å; I41-T312 HydrophobicContact CD1-CG2 4.38Å; I41-K313 HydrophobicContact CG2-CD 4.48Å; I41-K313 HydrophobicContact CG2-CG 4.04Å; I41-L316 HydrophobicContact CD1-CD1 4.43Å; I41-L316 HydrophobicContact CG1-CD1 3.57Å |
| 42 | A | 92.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 42 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K44 E309 | A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 2.89Å; A42-E309 VanDerWaalsContact CB-OE1 3.28Å; A42-E309 WeakPolarHBondContact CB-OE1 3.37Å |
| 43 | G | 91.3 | Very high | 96.3 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -11.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | I41 | I41-G43 PolarHBondContact O-N 3.27Å; I41-G43 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 96 | Very high | 96.2 | Very high | 90 Ų | 90 | 53.1 Ų | 53.1 | 39% | 0.391 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 124.8 | 173.6 | -179 | 176.8 | 171.8 | -173.2 | 0 | 110.7 | V40 I41 A42 Y46 M317 | V40-K44 WeakPolarHBondContact CA-O 3.39Å; I41-K44 PolarHBondContact N-O 2.81Å; I41-K44 PolarHBondContact O-N 2.78Å; A42-K44 VanDerWaalsContact C-N 3.27Å; A42-K44 PolarHBondContact O-N 2.89Å; K44-Y46 HydrophobicContact CB-CE2 4Å; K44-Y46 HydrophobicContact CD-CE1 4.34Å; K44-Y46 HydrophobicContact CD-CE2 3.96Å; K44-Y46 HydrophobicContact CG-CD2 4.31Å; K44-Y46 HydrophobicContact CG-CE2 3.82Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 3.36Å; K44-Y46 WeakPolarHBondContact O-CE2 3.46Å; K44-M317 PolarHBondContact NZ-SD 3.37Å |
| 45 | P | 96.8 | Very high | 96.2 | Very high | 70 Ų | 70 | 54 Ų | 54 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 149 | 170.5 | 32.6 | -34.3 | 0 | 0 | 0 | 112.2 | T38 V39 V40 | T38-P45 HydrophobicContact CG2-CB 4.04Å; V39-P45 CarbonylContact O-C 3.53Å; V39-P45 WeakPolarHBondContact O-CA 3.5Å; V40-P45 HydrophobicContact CG2-CB 4.24Å |
| 46 | Y | 97.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 118.4 | 175.7 | -63.4 | -103.6 | 0 | 0 | 0 | 108.4 | T38 V39 I41 K44 L316 M317 Q320 | T38-Y46 WeakPolarHBondContact CA-O 3.43Å; V39-Y46 PolarHBondContact N-O 3Å; V39-Y46 PolarHBondContact O-N 3.4Å; I41-Y46 HydrophobicContact CB-CE2 4.22Å; I41-Y46 HydrophobicContact CG1-CE2 4.4Å; K44-Y46 HydrophobicContact CB-CE2 4Å; K44-Y46 HydrophobicContact CD-CE1 4.34Å; K44-Y46 HydrophobicContact CD-CE2 3.96Å; K44-Y46 HydrophobicContact CG-CD2 4.31Å; K44-Y46 HydrophobicContact CG-CE2 3.82Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 3.36Å; K44-Y46 WeakPolarHBondContact O-CE2 3.46Å; Y46-L316 HydrophobicContact CD1-CB 3.51Å; Y46-L316 HydrophobicContact CD1-CD1 4.35Å; Y46-L316 HydrophobicContact CD1-CG 4.46Å; Y46-L316 HydrophobicContact CD2-CD1 4.06Å; Y46-L316 HydrophobicContact CE1-CB 3.66Å; Y46-L316 HydrophobicContact CE1-CD1 4.43Å; Y46-L316 HydrophobicContact CE2-CD1 4.19Å; Y46-L316 HydrophobicContact CG-CB 4.05Å; Y46-L316 HydrophobicContact CG-CD1 4.14Å; Y46-M317 HydrophobicContact CE1-CG 4.13Å; Y46-M317 HydrophobicContact CE1-SD 3.81Å; Y46-Q320 HydrophobicContact CD1-CG 4.36Å; Y46-Q320 VanDerWaalsContact CD1-OE1 3.3Å |
| 47 | M | 96.9 | Very high | 96.5 | Very high | 125 Ų | 125 | 49.4 Ų | 49.4 | 62% | 0.616 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 139.8 | -176.5 | -52 | -176 | -64.9 | 0 | 0 | 110.9 | D37 T38 | D37-M47 CarbonylContact O-C 3.57Å; D37-M47 WeakPolarHBondContact O-CA 3.41Å; T38-M47 HydrophobicContact CG2-CG 4.06Å; T38-M47 WeakPolarHBondContact OG1-CG 3.45Å |
| 48 | F | 97.4 | Very high | 96.6 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | trans | -132.6 | -163.8 | -175.7 | -66.6 | -72.7 | 0 | 0 | 0 | 111.1 | V11 C13 D37 V39 V51 I300 L316 Q320 K323 | V11-F48 HydrophobicContact CB-CD1 4.22Å; V11-F48 HydrophobicContact CG1-CD1 3.68Å; V11-F48 HydrophobicContact CG1-CE1 4.1Å; V11-F48 WeakPolarHBondContact O-CB 3.39Å; C13-F48 HydrophobicContact CB-CD2 3.94Å; C13-F48 HydrophobicContact CB-CE2 4.29Å; C13-F48 HydrophobicContact CB-CG 4.25Å; D37-F48 PolarHBondContact O-N 2.87Å; V39-F48 HydrophobicContact CG1-CE2 4.25Å; F48-V51 HydrophobicContact CB-CG2 4.28Å; F48-V51 HydrophobicContact CD2-CG2 3.87Å; F48-I300 HydrophobicContact CD1-CD1 4.15Å; F48-I300 HydrophobicContact CE1-CD1 3.54Å; F48-I300 HydrophobicContact CE2-CD1 4.41Å; F48-I300 HydrophobicContact CZ-CD1 3.7Å; F48-L316 HydrophobicContact CE2-CD2 3.53Å; F48-L316 HydrophobicContact CZ-CB 4.11Å; F48-L316 HydrophobicContact CZ-CD2 3.64Å; F48-L316 HydrophobicContact CZ-CG 4.5Å; F48-Q320 HydrophobicContact CE1-CG 4.07Å; F48-Q320 HydrophobicContact CZ-CG 4.09Å; F48-K323 PolarHBondContact O-NZ 3.15Å | ||
| 49 | D | 96.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 31% | 0.31 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -87.1 | -27.6 | 168.5 | -64.7 | -73.5 | 0 | 0 | 0 | 111.8 | K10 V11 M12 K323 | K10-D49 WeakPolarHBondContact CA-OD2 3.35Å; V11-D49 PolarHBondContact N-OD2 2.71Å; V11-D49 WeakPolarHBondContact O-CB 3.48Å; V11-D49 PolarHBondContact O-N 2.92Å; M12-D49 HydrophobicContact CE-CB 3.88Å; M12-D49 HydrophobicContact SD-CB 3.72Å; D49-K323 WeakPolarHBondContact OD1-CE 3.4Å; D49-K323 IonicContact OD1-NZ 3.94Å; D49-K323 PolarHBondContact OD1-NZ 2.69Å; D49-K323 WeakPolarHBondContact OD2-CD 3.33Å; D49-K323 WeakPolarHBondContact OD2-CE 3.28Å; D49-K323 IonicContact OD2-NZ 2.63Å; D49-K323 PolarHBondContact OD2-NZ 3.45Å |
| 50 | R | 97.4 | Very high | 96.5 | Very high | 85 Ų | 85 | 55 Ų | 55 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 155.8 | 163.7 | -146.4 | 167.6 | -175.3 | -162 | 5 | 110.6 | M12 C13 E36 F52 | M12-R50 WeakPolarHBondContact CA-O 3.48Å; M12-R50 HydrophobicContact SD-CB 3.55Å; M12-R50 VanDerWaalsContact SD-CB 3.55Å; M12-R50 PolarHBondContact SD-N 2.98Å; M12-R50 VanDerWaalsContact SD-N 3.43Å; C13-R50 PolarHBondContact N-O 3.12Å; E36-R50 CarbonylContact O-C 3.6Å; E36-R50 WeakPolarHBondContact O-CA 3.38Å; E36-R50 WeakPolarHBondContact O-CG 3.43Å; E36-R50 IonicContact OE1-NH2 3.71Å; E36-R50 IonicContact OE2-CZ 2.91Å; E36-R50 IonicContact OE2-NE 3.93Å; E36-R50 PolarHBondContact OE2-NE 2.82Å; E36-R50 IonicContact OE2-NH2 3.3Å; E36-R50 PolarHBondContact OE2-NH2 2.96Å; R50-F52 HydrophobicContact CB-CE1 4.42Å; R50-F52 HydrophobicContact CB-CZ 4.4Å; R50-F52 HydrophobicContact CG-CE1 4.23Å |
| 51 | V | 98.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 106.5 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | C13 F33 E36 D37 V39 F48 | C13-V51 HydrophobicContact CB-CG2 4.07Å; C13-V51 CarbonylContact O-C 3.6Å; C13-V51 WeakPolarHBondContact O-CA 3.1Å; F33-V51 HydrophobicContact CD1-CG1 3.61Å; F33-V51 HydrophobicContact CE1-CG1 3.65Å; E36-V51 PolarHBondContact O-N 3.3Å; D37-V51 WeakPolarHBondContact O-CG2 3.4Å; V39-V51 HydrophobicContact CB-CG1 4.14Å; F48-V51 HydrophobicContact CB-CG2 4.28Å; F48-V51 HydrophobicContact CD2-CG2 3.87Å |
| 52 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129 | 174.4 | -51.3 | -63.1 | 0 | 0 | 0 | 110.4 | M12 C13 R14 F15 R50 T56 V61 A64 | M12-F52 HydrophobicContact CB-CE2 3.8Å; M12-F52 HydrophobicContact CB-CZ 4.5Å; M12-F52 HydrophobicContact CG-CE2 4.45Å; C13-F52 WeakPolarHBondContact O-CD2 3.49Å; C13-F52 PolarHBondContact O-N 2.92Å; R14-F52 HydrophobicContact CB-CB 4.38Å; R14-F52 HydrophobicContact CB-CD2 4.13Å; R14-F52 HydrophobicContact CG-CB 4.11Å; R14-F52 HydrophobicContact CG-CD2 4.41Å; F15-F52 PolarHBondContact N-O 3.39Å; R50-F52 HydrophobicContact CB-CE1 4.42Å; R50-F52 HydrophobicContact CB-CZ 4.4Å; R50-F52 HydrophobicContact CG-CE1 4.23Å; F52-T56 HydrophobicContact CB-CG2 3.93Å; F52-T56 HydrophobicContact CD1-CG2 3.61Å; F52-T56 HydrophobicContact CE1-CG2 4.39Å; F52-T56 HydrophobicContact CG-CG2 4.02Å; F52-V61 HydrophobicContact CD1-CG2 4.25Å; F52-V61 HydrophobicContact CD2-CG2 3.92Å; F52-V61 HydrophobicContact CE1-CG2 4.36Å; F52-V61 HydrophobicContact CE2-CB 4.43Å; F52-V61 HydrophobicContact CE2-CG1 4.07Å; F52-V61 HydrophobicContact CE2-CG2 4.06Å; F52-V61 HydrophobicContact CG-CG2 4Å; F52-V61 HydrophobicContact CZ-CB 4.5Å; F52-V61 HydrophobicContact CZ-CG1 4.47Å; F52-V61 HydrophobicContact CZ-CG2 4.29Å; F52-A64 HydrophobicContact CE1-CB 3.98Å; F52-A64 HydrophobicContact CZ-CB 3.74Å |
| 53 | Q | 97.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 53 Ų | 53 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -86.3 | 170.4 | 177.5 | -54.1 | -172.3 | 26.3 | 0 | 0 | 110.3 | F15 F33 N55 T56 | F15-Q53 CarbonylContact O-C 3.54Å; F33-Q53 HydrophobicContact CB-CG 4.47Å; F33-Q53 HydrophobicContact CD1-CG 3.97Å; F33-Q53 HydrophobicContact CD2-CB 4.39Å; F33-Q53 HydrophobicContact CD2-CG 3.62Å; F33-Q53 HydrophobicContact CE1-CG 4.09Å; F33-Q53 HydrophobicContact CE2-CB 4.07Å; F33-Q53 HydrophobicContact CE2-CG 3.76Å; F33-Q53 HydrophobicContact CG-CG 3.74Å; F33-Q53 HydrophobicContact CZ-CB 4.25Å; F33-Q53 HydrophobicContact CZ-CG 4Å; Q53-N55 PolarHBondContact O-N 3.37Å; Q53-T56 PolarHBondContact N-OG1 3.36Å; Q53-T56 WeakPolarHBondContact O-CB 3.09Å; Q53-T56 PolarHBondContact O-N 2.76Å; Q53-T56 PolarHBondContact O-OG1 3.26Å | ||
| 54 | S | 95.6 | Very high | 97 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -12.5 | -175.3 | -56.7 | 0 | 0 | 0 | 0 | 115.7 | F15 R16 P17 Y29 | F15-S54 WeakPolarHBondContact O-CA 3.38Å; R16-S54 WeakPolarHBondContact O-CB 3.44Å; R16-S54 PolarHBondContact O-OG 3.26Å; P17-S54 WeakPolarHBondContact CG-O 3.46Å; Y29-S54 WeakPolarHBondContact CE2-OG 3.45Å; Y29-S54 PolarHBondContact OH-OG 3.4Å |
| 55 | N | 94.7 | Very high | 97 | Very high | 131 Ų | 131 | 47.3 Ų | 47.3 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -0.1 | 177.2 | 66.6 | -22 | 0 | 0 | 0 | 114.2 | Q53 T57 | Q53-N55 PolarHBondContact O-N 3.37Å; N55-T57 PolarHBondContact O-N 2.78Å |
| 56 | T | 97.2 | Very high | 97 | Very high | 23 Ų | 23 | 44 Ų | 44 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | trans | -72.4 | 126.2 | -178.1 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | R14 F52 Q53 Q60 V61 | R14-T56 PolarHBondContact NH2-O 2.84Å; F52-T56 HydrophobicContact CB-CG2 3.93Å; F52-T56 HydrophobicContact CD1-CG2 3.61Å; F52-T56 HydrophobicContact CE1-CG2 4.39Å; F52-T56 HydrophobicContact CG-CG2 4.02Å; Q53-T56 PolarHBondContact N-OG1 3.36Å; Q53-T56 WeakPolarHBondContact O-CB 3.09Å; Q53-T56 PolarHBondContact O-N 2.76Å; Q53-T56 PolarHBondContact O-OG1 3.26Å; T56-Q60 HydrophobicContact CG2-CB 3.59Å; T56-V61 HydrophobicContact CG2-CG2 3.85Å | ||
| 57 | T | 97 | Very high | 96.9 | Very high | 66 Ų | 66 | 47.4 Ų | 47.4 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | trans | -70 | 163.2 | -177.6 | 74.4 | 0 | 0 | 0 | 0 | 112.6 | N55 E59 Q60 V61 | N55-T57 PolarHBondContact O-N 2.78Å; T57-E59 VanDerWaalsContact C-N 3.31Å; T57-E59 PolarHBondContact O-N 3.16Å; T57-Q60 PolarHBondContact O-N 3.39Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.42Å; T57-Q60 PolarHBondContact OG1-N 2.79Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-V61 WeakPolarHBondContact O-CG2 3.27Å; T57-V61 PolarHBondContact O-N 2.8Å | ||
| 58 | Q | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.3 | -64 | -79.4 | 75.7 | 0 | 0 | 111.9 | R14 V61 Y62 H93 A104 M105 | R14-Q58 VanDerWaalsContact CZ-OE1 3.3Å; Q58-V61 PolarHBondContact O-N 3.09Å; Q58-Y62 PolarHBondContact O-N 3.49Å; Q58-H93 PolarHBondContact NE2-ND1 3.3Å; Q58-H93 PolarHBondContact NE2-O 3.34Å; Q58-H93 PolarHBondContact OE1-ND1 2.68Å; Q58-A104 PolarHBondContact NE2-O 2.74Å; Q58-M105 WeakPolarHBondContact CB-O 3.48Å; Q58-M105 PolarHBondContact NE2-O 3.36Å |
| 59 | E | 96.9 | Very high | 96.7 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.9 | -165 | -138 | 139.3 | 0 | 0 | 112 | T57 V61 Y62 N63 | T57-E59 VanDerWaalsContact C-N 3.31Å; T57-E59 PolarHBondContact O-N 3.16Å; E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.45Å; E59-Y62 PolarHBondContact O-N 3.02Å; E59-Y62 VanDerWaalsContact O-N 3.12Å; E59-N63 WeakPolarHBondContact O-CB 3.31Å; E59-N63 VanDerWaalsContact O-CG 3.25Å; E59-N63 PolarHBondContact O-N 3.4Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 PolarHBondContact OE1-ND2 2.66Å |
| 60 | Q | 97.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.7 | -35.1 | 175.9 | -75.6 | 172.7 | -20.4 | 0 | 0 | 112.8 | T56 T57 A64 | T56-Q60 HydrophobicContact CG2-CB 3.59Å; T57-Q60 PolarHBondContact O-N 3.39Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.42Å; T57-Q60 PolarHBondContact OG1-N 2.79Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; Q60-A64 WeakPolarHBondContact O-CB 3.15Å; Q60-A64 PolarHBondContact O-N 3.32Å |
| 61 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.3 | -43.8 | 173.3 | 177 | 0 | 0 | 0 | 0 | 110.7 | F52 T56 T57 Q58 E59 A64 C65 T94 I107 | F52-V61 HydrophobicContact CD1-CG2 4.25Å; F52-V61 HydrophobicContact CD2-CG2 3.92Å; F52-V61 HydrophobicContact CE1-CG2 4.36Å; F52-V61 HydrophobicContact CE2-CB 4.43Å; F52-V61 HydrophobicContact CE2-CG1 4.07Å; F52-V61 HydrophobicContact CE2-CG2 4.06Å; F52-V61 HydrophobicContact CG-CG2 4Å; F52-V61 HydrophobicContact CZ-CB 4.5Å; F52-V61 HydrophobicContact CZ-CG1 4.47Å; F52-V61 HydrophobicContact CZ-CG2 4.29Å; T56-V61 HydrophobicContact CG2-CG2 3.85Å; T57-V61 WeakPolarHBondContact O-CG2 3.27Å; T57-V61 PolarHBondContact O-N 2.8Å; Q58-V61 PolarHBondContact O-N 3.09Å; E59-V61 VanDerWaalsContact C-N 3.27Å; E59-V61 PolarHBondContact O-N 3.45Å; V61-A64 PolarHBondContact O-N 3.01Å; V61-C65 WeakPolarHBondContact O-CB 3.42Å; V61-C65 PolarHBondContact O-N 3.38Å; V61-C65 PolarHBondContact O-SG 3.21Å; V61-T94 HydrophobicContact CG1-CG2 4.06Å; V61-I107 HydrophobicContact CG1-CD1 4.29Å |
| 62 | Y | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -52.2 | 177.6 | 172.2 | -105 | 0 | 0 | 0 | 112.6 | Q58 E59 A64 C65 A66 Q67 V70 R110 I111 D114 | Q58-Y62 PolarHBondContact O-N 3.49Å; E59-Y62 PolarHBondContact O-N 3.02Å; E59-Y62 VanDerWaalsContact O-N 3.12Å; Y62-A64 PolarHBondContact O-N 2.7Å; Y62-C65 PolarHBondContact O-N 3.37Å; Y62-A66 HydrophobicContact CD2-CB 3.56Å; Y62-A66 HydrophobicContact CE2-CB 3.61Å; Y62-A66 WeakPolarHBondContact O-CB 3.08Å; Y62-A66 PolarHBondContact O-N 3.25Å; Y62-Q67 HydrophobicContact CE1-CB 4.02Å; Y62-Q67 HydrophobicContact CE1-CG 4.39Å; Y62-Q67 PolarHBondContact O-N 3.13Å; Y62-Q67 VanDerWaalsContact O-N 3.13Å; Y62-V70 HydrophobicContact CE2-CG2 4.42Å; Y62-R110 HydrophobicContact CD1-CB 3.92Å; Y62-R110 HydrophobicContact CD2-CB 3.6Å; Y62-R110 HydrophobicContact CE1-CB 4.12Å; Y62-R110 HydrophobicContact CE2-CB 3.86Å; Y62-R110 HydrophobicContact CG-CB 3.68Å; Y62-R110 HydrophobicContact CG-CG 4.36Å; Y62-I111 HydrophobicContact CD2-CG1 4.44Å; Y62-I111 HydrophobicContact CE2-CG1 3.72Å; Y62-D114 VanDerWaalsContact CE1-OD2 3.27Å; Y62-D114 WeakPolarHBondContact CE1-OD2 3.42Å; Y62-D114 VanDerWaalsContact CZ-OD2 3.3Å; Y62-D114 WeakPolarHBondContact OH-CB 3.48Å; Y62-D114 VanDerWaalsContact OH-CG 3.24Å; Y62-D114 PolarHBondContact OH-OD2 3.38Å |
| 63 | N | 97.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.3 | -32.9 | -179 | -66.4 | -17.7 | 0 | 0 | 0 | 112.3 | E59 | E59-N63 WeakPolarHBondContact O-CB 3.31Å; E59-N63 VanDerWaalsContact O-CG 3.25Å; E59-N63 PolarHBondContact O-N 3.4Å; E59-N63 PolarHBondContact O-ND2 3.05Å; E59-N63 PolarHBondContact OE1-ND2 2.66Å |
| 64 | A | 95.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 45 Ų | 45 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -87.7 | -37.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F52 Q60 V61 Y62 | F52-A64 HydrophobicContact CE1-CB 3.98Å; F52-A64 HydrophobicContact CZ-CB 3.74Å; Q60-A64 WeakPolarHBondContact O-CB 3.15Å; Q60-A64 PolarHBondContact O-N 3.32Å; V61-A64 PolarHBondContact O-N 3.01Å; Y62-A64 PolarHBondContact O-N 2.7Å |
| 65 | C | 95.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -90.9 | -37.5 | -173.6 | -65.8 | 0 | 0 | 0 | 0 | 114 | V61 Y62 I107 T297 V299 | V61-C65 WeakPolarHBondContact O-CB 3.42Å; V61-C65 PolarHBondContact O-N 3.38Å; V61-C65 PolarHBondContact O-SG 3.21Å; Y62-C65 PolarHBondContact O-N 3.37Å; C65-I107 HydrophobicContact CB-CD1 4.31Å; C65-T297 HydrophobicContact CB-CG2 3.99Å; C65-T297 WeakPolarHBondContact O-CB 3.22Å; C65-T297 PolarHBondContact O-OG1 3.34Å; C65-V299 HydrophobicContact CB-CG2 4.15Å |
| 66 | A | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -44.1 | -156.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y62 K68 I69 V70 I81 I107 I111 | Y62-A66 HydrophobicContact CD2-CB 3.56Å; Y62-A66 HydrophobicContact CE2-CB 3.61Å; Y62-A66 WeakPolarHBondContact O-CB 3.08Å; Y62-A66 PolarHBondContact O-N 3.25Å; A66-K68 PolarHBondContact O-N 2.83Å; A66-I69 CarbonylContact O-C 3.54Å; A66-I69 WeakPolarHBondContact O-CA 3.47Å; A66-I69 WeakPolarHBondContact O-CB 3.46Å; A66-I69 PolarHBondContact O-N 2.91Å; A66-V70 PolarHBondContact O-N 3.23Å; A66-I81 HydrophobicContact CB-CD1 3.46Å; A66-I81 VanDerWaalsContact CB-CD1 3.46Å; A66-I107 HydrophobicContact CB-CG2 3.87Å; A66-I111 HydrophobicContact CB-CD1 4.32Å; A66-I111 HydrophobicContact CB-CG1 4.39Å |
| 67 | Q | 95.7 | Very high | 95.3 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -50.2 | -39.8 | -172.5 | -176.3 | -178.5 | 64.5 | 0 | 0 | 114.1 | Y62 V70 K71 | Y62-Q67 HydrophobicContact CE1-CB 4.02Å; Y62-Q67 HydrophobicContact CE1-CG 4.39Å; Y62-Q67 PolarHBondContact O-N 3.13Å; Y62-Q67 VanDerWaalsContact O-N 3.13Å; Q67-V70 PolarHBondContact O-N 3.31Å; Q67-K71 PolarHBondContact O-N 3.16Å |
| 68 | K | 94.4 | Very high | 95.1 | Very high | 145 Ų | 145 | 39.2 Ų | 39.2 | 63% | 0.63 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -67 | -43.1 | 175.6 | -64.4 | -171.1 | 178.2 | -174.6 | 0 | 112.4 | A66 V70 K71 D72 | A66-K68 PolarHBondContact O-N 2.83Å; K68-V70 VanDerWaalsContact C-N 3.29Å; K68-V70 PolarHBondContact O-N 3.09Å; K68-K71 PolarHBondContact O-N 3.43Å; K68-D72 PolarHBondContact O-N 3.02Å |
| 69 | I | 95.8 | Very high | 95 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -35.6 | 175.6 | -67.6 | 176.6 | 0 | 0 | 0 | 111.2 | A66 D72 V73 I81 L227 R295 T297 | A66-I69 CarbonylContact O-C 3.54Å; A66-I69 WeakPolarHBondContact O-CA 3.47Å; A66-I69 WeakPolarHBondContact O-CB 3.46Å; A66-I69 PolarHBondContact O-N 2.91Å; I69-D72 PolarHBondContact O-N 3.28Å; I69-V73 HydrophobicContact CG2-CG2 4.32Å; I69-V73 WeakPolarHBondContact O-CB 3.12Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 2.87Å; I69-I81 HydrophobicContact CD1-CD1 4.49Å; I69-I81 HydrophobicContact CD1-CG1 4.05Å; I69-L227 HydrophobicContact CG2-CD1 3.69Å; I69-R295 HydrophobicContact CG1-CB 4.32Å; I69-T297 VanDerWaalsContact CD1-OG1 3.29Å; I69-T297 WeakPolarHBondContact CD1-OG1 3.27Å |
| 70 | V | 96.3 | Very high | 95 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | Y62 A66 Q67 K68 D72 V73 L74 I111 D114 I115 | Y62-V70 HydrophobicContact CE2-CG2 4.42Å; A66-V70 PolarHBondContact O-N 3.23Å; Q67-V70 PolarHBondContact O-N 3.31Å; K68-V70 VanDerWaalsContact C-N 3.29Å; K68-V70 PolarHBondContact O-N 3.09Å; V70-D72 PolarHBondContact O-N 2.91Å; V70-V73 PolarHBondContact O-N 3.29Å; V70-L74 HydrophobicContact CG1-CD1 3.86Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.89Å; V70-I111 HydrophobicContact CG2-CB 4.15Å; V70-I111 HydrophobicContact CG2-CD1 4.4Å; V70-I111 HydrophobicContact CG2-CG1 3.63Å; V70-I111 HydrophobicContact CG2-CG2 4.02Å; V70-D114 HydrophobicContact CG1-CB 4.25Å; V70-I115 HydrophobicContact CG1-CG1 3.71Å |
| 71 | K | 94.1 | Very high | 95 | Very high | 125 Ų | 125 | 29.5 Ų | 29.5 | 54% | 0.543 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 174.6 | 175.5 | 168.5 | 173.5 | 167.4 | 0 | 112.1 | Q67 K68 V73 L74 E75 | Q67-K71 PolarHBondContact O-N 3.16Å; K68-K71 PolarHBondContact O-N 3.43Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 3.38Å; K71-L74 CarbonylContact O-C 3.51Å; K71-L74 WeakPolarHBondContact O-CB 3.5Å; K71-L74 PolarHBondContact O-N 2.94Å; K71-L74 VanDerWaalsContact O-N 3.17Å; K71-E75 WeakPolarHBondContact CE-OE1 3.37Å; K71-E75 IonicContact NZ-OE1 2.68Å; K71-E75 PolarHBondContact NZ-OE1 3.45Å; K71-E75 WeakPolarHBondContact O-CG 2.73Å; K71-E75 PolarHBondContact O-N 3.48Å |
| 72 | D | 93.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -37.3 | 177.8 | -73.6 | -66.7 | 0 | 0 | 0 | 112.5 | K68 I69 V70 E75 G76 Y77 R295 | K68-D72 PolarHBondContact O-N 3.02Å; I69-D72 PolarHBondContact O-N 3.28Å; V70-D72 PolarHBondContact O-N 2.91Å; D72-E75 CarbonylContact O-C 3.52Å; D72-E75 PolarHBondContact O-N 3.04Å; D72-G76 PolarHBondContact O-N 3.27Å; D72-Y77 HydrophobicContact CB-CD2 4.07Å; D72-Y77 WeakPolarHBondContact O-CB 3.42Å; D72-Y77 WeakPolarHBondContact O-CD2 3.41Å; D72-Y77 PolarHBondContact O-N 2.89Å; D72-R295 IonicContact OD1-CZ 3.32Å; D72-R295 IonicContact OD1-NE 3.45Å; D72-R295 PolarHBondContact OD1-NE 3Å; D72-R295 IonicContact OD1-NH2 2.8Å; D72-R295 PolarHBondContact OD1-NH2 2.79Å; D72-R295 WeakPolarHBondContact OD2-CD 3.41Å; D72-R295 IonicContact OD2-NE 2.78Å; D72-R295 PolarHBondContact OD2-NE 2.83Å |
| 73 | V | 94.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 175.3 | 165.1 | 0 | 0 | 0 | 0 | 111.5 | I69 V70 K71 E75 G76 Y77 V212 L227 | I69-V73 HydrophobicContact CG2-CG2 4.32Å; I69-V73 WeakPolarHBondContact O-CB 3.12Å; I69-V73 VanDerWaalsContact O-CG2 3.27Å; I69-V73 WeakPolarHBondContact O-CG2 3.41Å; I69-V73 PolarHBondContact O-N 2.87Å; V70-V73 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 3.38Å; V73-E75 PolarHBondContact O-N 2.79Å; V73-G76 PolarHBondContact O-N 2.88Å; V73-Y77 WeakPolarHBondContact CA-O 3.46Å; V73-V212 HydrophobicContact CG1-CG2 4.34Å; V73-L227 HydrophobicContact CG1-CB 4.17Å; V73-L227 HydrophobicContact CG2-CB 4Å; V73-L227 HydrophobicContact CG2-CD1 4.33Å; V73-L227 HydrophobicContact CG2-CD2 4.34Å; V73-L227 HydrophobicContact CG2-CG 4.46Å |
| 74 | L | 92.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.8 | -18.1 | 172.1 | -65.7 | 162.3 | 0 | 0 | 0 | 112.8 | V70 K71 I115 Y118 V212 Q214 | V70-L74 HydrophobicContact CG1-CD1 3.86Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.89Å; K71-L74 CarbonylContact O-C 3.51Å; K71-L74 WeakPolarHBondContact O-CB 3.5Å; K71-L74 PolarHBondContact O-N 2.94Å; K71-L74 VanDerWaalsContact O-N 3.17Å; L74-I115 HydrophobicContact CD2-CG2 4.45Å; L74-Y118 HydrophobicContact CB-CD1 4.32Å; L74-Y118 HydrophobicContact CB-CE1 4Å; L74-Y118 HydrophobicContact CD1-CD1 3.8Å; L74-Y118 HydrophobicContact CD1-CD2 3.97Å; L74-Y118 HydrophobicContact CD1-CE1 4.29Å; L74-Y118 HydrophobicContact CD1-CE2 4.44Å; L74-Y118 HydrophobicContact CD1-CG 3.61Å; L74-Y118 HydrophobicContact CD2-CD1 3.74Å; L74-Y118 HydrophobicContact CD2-CE1 4.08Å; L74-Y118 HydrophobicContact CD2-CG 4.37Å; L74-Y118 HydrophobicContact CG-CD1 4.16Å; L74-Y118 HydrophobicContact CG-CE1 4.35Å; L74-Y118 HydrophobicContact CG-CG 4.46Å; L74-V212 HydrophobicContact CD2-CG1 4.26Å; L74-Q214 PolarHBondContact O-NE2 3.42Å |
| 75 | E | 91.1 | Very high | 94.7 | Very high | 78 Ų | 78 | 26.7 Ų | 26.7 | 36% | 0.364 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.8 | 168.9 | -69.9 | 177.1 | 176.3 | 0 | 0 | 113 | K71 D72 V73 Y77 | K71-E75 WeakPolarHBondContact CE-OE1 3.37Å; K71-E75 IonicContact NZ-OE1 2.68Å; K71-E75 PolarHBondContact NZ-OE1 3.45Å; K71-E75 WeakPolarHBondContact O-CG 2.73Å; K71-E75 PolarHBondContact O-N 3.48Å; D72-E75 CarbonylContact O-C 3.52Å; D72-E75 PolarHBondContact O-N 3.04Å; V73-E75 PolarHBondContact O-N 2.79Å; E75-Y77 HydrophobicContact CB-CD2 4.25Å; E75-Y77 HydrophobicContact CB-CE2 4.35Å |
| 76 | G | 91.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | 10.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D72 V73 N332 | D72-G76 PolarHBondContact O-N 3.27Å; V73-G76 PolarHBondContact O-N 2.88Å; G76-N332 WeakPolarHBondContact O-CB 3.39Å; G76-N332 PolarHBondContact O-N 2.76Å; G76-N332 PolarHBondContact O-ND2 2.64Å; G76-N332 VanDerWaalsContact O-ND2 3.08Å |
| 77 | Y | 92.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 17% | 0.169 | 13% | 0.128 | C | C | . | . | trans | -79.5 | 162.8 | 168.5 | -62.1 | -74.3 | 0 | 0 | 0 | 111.4 | D72 V73 E75 G225 V329 T330 V331 | D72-Y77 HydrophobicContact CB-CD2 4.07Å; D72-Y77 WeakPolarHBondContact O-CB 3.42Å; D72-Y77 WeakPolarHBondContact O-CD2 3.41Å; D72-Y77 PolarHBondContact O-N 2.89Å; V73-Y77 WeakPolarHBondContact CA-O 3.46Å; E75-Y77 HydrophobicContact CB-CD2 4.25Å; E75-Y77 HydrophobicContact CB-CE2 4.35Å; Y77-G225 WeakPolarHBondContact O-CA 3.49Å; Y77-V329 HydrophobicContact CD1-CG1 3.41Å; Y77-V329 VanDerWaalsContact CD1-CG1 3.41Å; Y77-V329 HydrophobicContact CE1-CG1 3.85Å; Y77-V329 HydrophobicContact CG-CG1 4.15Å; Y77-T330 WeakPolarHBondContact CD1-O 3.18Å; Y77-V331 HydrophobicContact CD1-CG2 4.06Å; Y77-V331 HydrophobicContact CE1-CB 4.34Å; Y77-V331 HydrophobicContact CE1-CG2 3.42Å; Y77-V331 VanDerWaalsContact CE1-CG2 3.42Å; Y77-V331 HydrophobicContact CE2-CG2 4.11Å; Y77-V331 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 78 | N | 93.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | trans | -87.6 | 146.9 | 164.7 | -59.7 | -33.3 | 0 | 0 | 0 | 110.4 | K226 D288 N293 C294 R295 N332 | N78-K226 CarbonylContact C-O 3.49Å; N78-K226 VanDerWaalsContact CA-O 3.27Å; N78-K226 WeakPolarHBondContact CA-O 3.44Å; N78-K226 WeakPolarHBondContact OD1-CB 3.38Å; N78-K226 PolarHBondContact OD1-N 2.94Å; N78-D288 PolarHBondContact ND2-OD2 3.26Å; N78-N293 WeakPolarHBondContact CB-O 3.38Å; N78-N293 PolarHBondContact ND2-O 2.92Å; N78-C294 HydrophobicContact CB-CB 4.31Å; N78-C294 WeakPolarHBondContact O-CA 3.48Å; N78-R295 PolarHBondContact O-N 2.86Å; N78-N332 PolarHBondContact OD1-ND2 3.09Å; N78-N332 VanDerWaalsContact OD1-ND2 3.16Å | ||
| 79 | G | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K226 L227 Y228 C294 R295 | G79-K226 PolarHBondContact N-O 2.8Å; G79-L227 WeakPolarHBondContact O-CA 3.39Å; G79-Y228 PolarHBondContact O-N 2.63Å; G79-C294 VanDerWaalsContact CA-SG 3.55Å; G79-R295 CarbonylContact C-O 3.56Å; G79-R295 WeakPolarHBondContact CA-O 3.43Å |
| 80 | T | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 134.2 | 170.5 | -60.5 | 0 | 0 | 0 | 0 | 111 | F82 Y228 V230 S289 C294 R295 T296 T297 | T80-F82 HydrophobicContact CG2-CD1 4.49Å; T80-F82 HydrophobicContact CG2-CD2 3.86Å; T80-F82 HydrophobicContact CG2-CE1 4.04Å; T80-F82 HydrophobicContact CG2-CE2 3.38Å; T80-F82 HydrophobicContact CG2-CG 4.41Å; T80-F82 HydrophobicContact CG2-CZ 3.49Å; T80-F82 VanDerWaalsContact CG2-CZ 3.49Å; T80-Y228 CarbonylContact C-O 3.57Å; T80-Y228 VanDerWaalsContact CA-O 3.3Å; T80-Y228 WeakPolarHBondContact CA-O 3.25Å; T80-V230 HydrophobicContact CG2-CG2 4.42Å; T80-S289 WeakPolarHBondContact OG1-CB 3.3Å; T80-S289 PolarHBondContact OG1-OG 3Å; T80-C294 PolarHBondContact N-SG 3.23Å; T80-C294 VanDerWaalsContact N-SG 3.38Å; T80-C294 PolarHBondContact OG1-SG 2.96Å; T80-R295 PolarHBondContact N-O 3.01Å; T80-T296 WeakPolarHBondContact O-CA 3.29Å; T80-T297 PolarHBondContact O-N 2.86Å |
| 81 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.2 | 175.4 | -53.3 | -179.1 | 0 | 0 | 0 | 109.1 | A66 I69 M95 I107 I111 Y228 L229 V230 T297 | A66-I81 HydrophobicContact CB-CD1 3.46Å; A66-I81 VanDerWaalsContact CB-CD1 3.46Å; I69-I81 HydrophobicContact CD1-CD1 4.49Å; I69-I81 HydrophobicContact CD1-CG1 4.05Å; I81-M95 HydrophobicContact CG2-SD 4.37Å; I81-I107 HydrophobicContact CD1-CG2 4.1Å; I81-I107 HydrophobicContact CG2-CD1 4.29Å; I81-I111 HydrophobicContact CD1-CD1 3.92Å; I81-Y228 PolarHBondContact N-O 3.3Å; I81-L229 HydrophobicContact CB-CD2 3.88Å; I81-L229 HydrophobicContact CD1-CD2 3.99Å; I81-L229 HydrophobicContact CG1-CD2 4.04Å; I81-V230 PolarHBondContact O-N 3.17Å; I81-T297 WeakPolarHBondContact CA-O 3.31Å |
| 82 | F | 94.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.3 | 177.5 | -65.4 | -77.6 | 0 | 0 | 0 | 111.5 | T80 V230 L232 L286 L290 T296 T297 I298 V299 | T80-F82 HydrophobicContact CG2-CD1 4.49Å; T80-F82 HydrophobicContact CG2-CD2 3.86Å; T80-F82 HydrophobicContact CG2-CE1 4.04Å; T80-F82 HydrophobicContact CG2-CE2 3.38Å; T80-F82 HydrophobicContact CG2-CG 4.41Å; T80-F82 HydrophobicContact CG2-CZ 3.49Å; T80-F82 VanDerWaalsContact CG2-CZ 3.49Å; F82-V230 HydrophobicContact CD1-CB 3.66Å; F82-V230 HydrophobicContact CD1-CG1 3.74Å; F82-V230 HydrophobicContact CD1-CG2 4.1Å; F82-V230 HydrophobicContact CE1-CB 4.01Å; F82-V230 HydrophobicContact CE1-CG1 3.98Å; F82-V230 HydrophobicContact CE1-CG2 3.97Å; F82-L232 HydrophobicContact CD1-CD1 4.37Å; F82-L286 HydrophobicContact CE1-CD1 3.48Å; F82-L286 VanDerWaalsContact CE1-CD1 3.48Å; F82-L286 HydrophobicContact CE1-CD2 3.71Å; F82-L286 HydrophobicContact CE1-CG 4.15Å; F82-L286 HydrophobicContact CZ-CB 4.38Å; F82-L286 HydrophobicContact CZ-CD1 3.83Å; F82-L286 HydrophobicContact CZ-CD2 3.81Å; F82-L286 HydrophobicContact CZ-CG 4.21Å; F82-L290 HydrophobicContact CE2-CD2 4.08Å; F82-L290 HydrophobicContact CZ-CD2 4.48Å; F82-T296 HydrophobicContact CD2-CG2 3.8Å; F82-T296 HydrophobicContact CE2-CG2 3.62Å; F82-T297 PolarHBondContact N-O 3.06Å; F82-I298 HydrophobicContact CB-CB 4.41Å; F82-I298 HydrophobicContact CB-CG1 4.13Å; F82-I298 HydrophobicContact CB-CG2 4.27Å; F82-I298 HydrophobicContact CD2-CD1 4.5Å; F82-I298 HydrophobicContact CD2-CG1 3.65Å; F82-I298 HydrophobicContact CG-CG1 4.26Å; F82-V299 PolarHBondContact O-N 3.08Å |
| 83 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110 | K91 M95 V230 L232 V299 | A83-K91 HydrophobicContact CB-CB 3.79Å; A83-K91 HydrophobicContact CB-CG 4.35Å; A83-M95 HydrophobicContact CB-CG 3.55Å; A83-M95 HydrophobicContact CB-SD 3.87Å; A83-V230 PolarHBondContact N-O 3.48Å; A83-L232 WeakPolarHBondContact O-CB 3.36Å; A83-L232 WeakPolarHBondContact O-CG 3.39Å; A83-L232 PolarHBondContact O-N 2.96Å; A83-V299 WeakPolarHBondContact CA-O 3.36Å |
| 84 | Y | 95.5 | Very high | 93.8 | Very high | 26 Ų | 26 | 21.9 Ų | 21.9 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.5 | -177.2 | 179 | -90.9 | 0 | 0 | 0 | 111.5 | L232 L258 V299 I300 C301 T315 F318 | Y84-L232 HydrophobicContact CD2-CD1 3.78Å; Y84-L232 HydrophobicContact CG-CD1 4.49Å; Y84-L258 HydrophobicContact CD2-CD2 4.47Å; Y84-L258 HydrophobicContact CE2-CD2 4.17Å; Y84-V299 PolarHBondContact N-O 2.95Å; Y84-I300 HydrophobicContact CD1-CG2 4.26Å; Y84-C301 PolarHBondContact O-N 3.28Å; Y84-T315 HydrophobicContact CD1-CG2 4.16Å; Y84-T315 HydrophobicContact CE1-CG2 4.33Å; Y84-F318 AromaticContact CD1-CD1 3.39Å; Y84-F318 HydrophobicContact CD1-CD1 3.39Å; Y84-F318 AromaticContact CD1-CE1 3.59Å; Y84-F318 HydrophobicContact CD1-CE1 3.59Å; Y84-F318 HydrophobicContact CD1-CG 4.01Å; Y84-F318 HydrophobicContact CD1-CZ 4.33Å; Y84-F318 HydrophobicContact CD2-CD1 4.32Å; Y84-F318 AromaticContact CD2-CE1 3.79Å; Y84-F318 HydrophobicContact CD2-CE1 3.79Å; Y84-F318 HydrophobicContact CD2-CE2 4.31Å; Y84-F318 AromaticContact CD2-CZ 3.78Å; Y84-F318 HydrophobicContact CD2-CZ 3.78Å; Y84-F318 HydrophobicContact CE1-CB 3.83Å; Y84-F318 AromaticContact CE1-CD1 3.4Å; Y84-F318 HydrophobicContact CE1-CD1 3.4Å; Y84-F318 VanDerWaalsContact CE1-CD1 3.4Å; Y84-F318 HydrophobicContact CE1-CD2 4.03Å; Y84-F318 AromaticContact CE1-CE1 3.88Å; Y84-F318 HydrophobicContact CE1-CE1 3.88Å; Y84-F318 HydrophobicContact CE1-CE2 4.43Å; Y84-F318 AromaticContact CE1-CG 3.48Å; Y84-F318 HydrophobicContact CE1-CG 3.48Å; Y84-F318 VanDerWaalsContact CE1-CG 3.48Å; Y84-F318 HydrophobicContact CE1-CZ 4.37Å; Y84-F318 HydrophobicContact CE2-CD1 4.31Å; Y84-F318 HydrophobicContact CE2-CD2 4.13Å; Y84-F318 HydrophobicContact CE2-CE1 4.05Å; Y84-F318 AromaticContact CE2-CE2 3.84Å; Y84-F318 HydrophobicContact CE2-CE2 3.84Å; Y84-F318 HydrophobicContact CE2-CG 4.36Å; Y84-F318 AromaticContact CE2-CZ 3.8Å; Y84-F318 HydrophobicContact CE2-CZ 3.8Å; Y84-F318 AromaticContact CG-CD1 3.89Å; Y84-F318 HydrophobicContact CG-CD1 3.89Å; Y84-F318 AromaticContact CG-CE1 3.55Å; Y84-F318 HydrophobicContact CG-CE1 3.55Å; Y84-F318 HydrophobicContact CG-CZ 4.05Å; Y84-F318 AromaticContact CZ-CD1 3.87Å; Y84-F318 AromaticContact CZ-CD2 3.7Å; Y84-F318 AromaticContact CZ-CE2 3.91Å; Y84-F318 AromaticContact CZ-CG 3.67Å |
| 85 | G | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 129.3 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K91 S235 | G85-K91 WeakPolarHBondContact O-CD 3.31Å; G85-K91 WeakPolarHBondContact O-CE 3.33Å; G85-K91 PolarHBondContact O-NZ 3.12Å; G85-S235 WeakPolarHBondContact CA-OG 3.42Å; G85-S235 PolarHBondContact O-N 2.87Å; G85-S235 VanDerWaalsContact O-N 3.17Å; G85-S235 PolarHBondContact O-OG 2.81Å |
| 86 | Q | 90.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 18.5 Ų | 18.5 | 8% | 0.075 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -63 | 166.9 | -177.1 | 61.6 | 154.5 | 91.2 | 0 | 0 | 113.6 | S89 K91 S235 E236 N308 E311 | Q86-S89 VanDerWaalsContact O-CB 3.25Å; Q86-S89 WeakPolarHBondContact O-CB 3.28Å; Q86-S89 PolarHBondContact O-N 3.33Å; Q86-S89 PolarHBondContact O-OG 3.21Å; Q86-K91 PolarHBondContact O-NZ 3.25Å; Q86-K91 VanDerWaalsContact O-NZ 3.12Å; Q86-S235 PolarHBondContact N-OG 2.95Å; Q86-S235 VanDerWaalsContact N-OG 3.16Å; Q86-E236 WeakPolarHBondContact CA-OE2 3.37Å; Q86-E236 HydrophobicContact CB-CB 4.15Å; Q86-E236 WeakPolarHBondContact CB-OE2 3.42Å; Q86-N308 PolarHBondContact NE2-ND2 3.39Å; Q86-N308 VanDerWaalsContact NE2-ND2 3.12Å; Q86-N308 PolarHBondContact OE1-ND2 3.14Å; Q86-E311 HydrophobicContact CB-CB 4.35Å; Q86-E311 HydrophobicContact CG-CB 4.39Å; Q86-E311 VanDerWaalsContact OE1-CB 3.31Å |
| 87 | T | 89.4 | Confident | 94.1 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 145.8 | 167.3 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | S89 S202 G234 E236 | T87-S89 PolarHBondContact O-N 3.06Å; T87-S89 VanDerWaalsContact O-N 3.09Å; T87-S202 VanDerWaalsContact CG2-CB 3.49Å; T87-S202 VanDerWaalsContact OG1-CB 3.32Å; T87-S202 WeakPolarHBondContact OG1-CB 3.21Å; T87-G234 WeakPolarHBondContact OG1-CA 3.39Å; T87-E236 WeakPolarHBondContact CB-OE1 3.48Å; T87-E236 PolarHBondContact N-OE2 3.48Å; T87-E236 PolarHBondContact OG1-OE1 2.66Å; T87-E236 PolarHBondContact OG1-OE2 2.83Å |
| 88 | S | 89.1 | Confident | 94 | Very high | 73 Ų | 73 | 21.6 Ų | 21.6 | 51% | 0.51 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 27.3 | -173.4 | -44.7 | 0 | 0 | 0 | 0 | 114.9 | R16 | R16-S88 VanDerWaalsContact CZ-O 3.23Å; R16-S88 PolarHBondContact NE-O 3Å; R16-S88 PolarHBondContact NH2-O 2.93Å |
| 89 | S | 93.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -84.5 | -18.8 | 170.8 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | R16 Q86 T87 K91 C301 | R16-S89 WeakPolarHBondContact CG-O 3.01Å; Q86-S89 VanDerWaalsContact O-CB 3.25Å; Q86-S89 WeakPolarHBondContact O-CB 3.28Å; Q86-S89 PolarHBondContact O-N 3.33Å; Q86-S89 PolarHBondContact O-OG 3.21Å; T87-S89 PolarHBondContact O-N 3.06Å; T87-S89 VanDerWaalsContact O-N 3.09Å; S89-K91 WeakPolarHBondContact OG-CG 3.42Å; S89-C301 VanDerWaalsContact CB-O 3.25Å; S89-C301 WeakPolarHBondContact CB-O 3.31Å; S89-C301 WeakPolarHBondContact OG-CB 3.26Å; S89-C301 PolarHBondContact OG-O 2.98Å |
| 90 | G | 94.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 112.4 | 15.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | H93 T94 | G90-H93 PolarHBondContact O-N 2.96Å; G90-T94 WeakPolarHBondContact O-CB 3.47Å; G90-T94 PolarHBondContact O-N 2.82Å; G90-T94 PolarHBondContact O-OG1 3.17Å |
| 91 | K | 95.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -61.8 | -179.9 | -52.3 | -165.9 | -64.7 | -78.5 | 0 | 113.3 | A83 G85 Q86 S89 H93 T94 M95 D231 L232 A233 C301 | A83-K91 HydrophobicContact CB-CB 3.79Å; A83-K91 HydrophobicContact CB-CG 4.35Å; G85-K91 WeakPolarHBondContact O-CD 3.31Å; G85-K91 WeakPolarHBondContact O-CE 3.33Å; G85-K91 PolarHBondContact O-NZ 3.12Å; Q86-K91 PolarHBondContact O-NZ 3.25Å; Q86-K91 VanDerWaalsContact O-NZ 3.12Å; S89-K91 WeakPolarHBondContact OG-CG 3.42Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 3.38Å; K91-T94 CarbonylContact O-C 3.6Å; K91-T94 WeakPolarHBondContact O-CA 3.5Å; K91-T94 WeakPolarHBondContact O-CB 3.23Å; K91-T94 PolarHBondContact O-N 3.45Å; K91-M95 PolarHBondContact O-N 3.3Å; K91-D231 WeakPolarHBondContact CB-OD1 3.47Å; K91-L232 WeakPolarHBondContact CE-O 3.45Å; K91-A233 VanDerWaalsContact CE-O 3.3Å; K91-A233 WeakPolarHBondContact CE-O 3.47Å; K91-A233 PolarHBondContact NZ-O 3Å; K91-C301 HydrophobicContact CG-CB 4.06Å |
| 92 | T | 93.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 177.5 | -37.3 | 0 | 0 | 0 | 0 | 112.9 | T94 M95 E96 G97 D231 | T92-T94 VanDerWaalsContact C-N 3.28Å; T92-T94 PolarHBondContact O-N 3.49Å; T92-M95 PolarHBondContact O-N 2.97Å; T92-E96 HydrophobicContact CG2-CB 4.5Å; T92-E96 HydrophobicContact CG2-CG 4.44Å; T92-E96 PolarHBondContact O-N 2.96Å; T92-G97 PolarHBondContact O-N 3.12Å; T92-G97 VanDerWaalsContact O-N 3.09Å; T92-D231 VanDerWaalsContact CA-OD2 3.31Å; T92-D231 WeakPolarHBondContact CA-OD2 3.23Å; T92-D231 VanDerWaalsContact CB-OD2 3.24Å; T92-D231 WeakPolarHBondContact CB-OD2 3.4Å; T92-D231 WeakPolarHBondContact CG2-OD2 3.5Å; T92-D231 PolarHBondContact N-OD1 3.02Å; T92-D231 PolarHBondContact OG1-OD2 3.48Å |
| 93 | H | 95 | Very high | 92.3 | Very high | 101 Ų | 101 | 41.6 Ų | 41.6 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 171.2 | -177.8 | -15.3 | 0 | 0 | 0 | 111.5 | Q58 G90 K91 G97 | Q58-H93 PolarHBondContact NE2-ND1 3.3Å; Q58-H93 PolarHBondContact NE2-O 3.34Å; Q58-H93 PolarHBondContact OE1-ND1 2.68Å; G90-H93 PolarHBondContact O-N 2.96Å; K91-H93 VanDerWaalsContact C-N 3.29Å; K91-H93 PolarHBondContact O-N 3.38Å; H93-G97 WeakPolarHBondContact O-CA 3.5Å; H93-G97 PolarHBondContact O-N 3.28Å |
| 94 | T | 97.4 | Very high | 92 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -75.3 | -41.5 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | R14 V61 G90 K91 T92 I107 V299 | R14-T94 WeakPolarHBondContact CD-OG1 3.35Å; R14-T94 PolarHBondContact NH1-OG1 3.16Å; V61-T94 HydrophobicContact CG1-CG2 4.06Å; G90-T94 WeakPolarHBondContact O-CB 3.47Å; G90-T94 PolarHBondContact O-N 2.82Å; G90-T94 PolarHBondContact O-OG1 3.17Å; K91-T94 CarbonylContact O-C 3.6Å; K91-T94 WeakPolarHBondContact O-CA 3.5Å; K91-T94 WeakPolarHBondContact O-CB 3.23Å; K91-T94 PolarHBondContact O-N 3.45Å; T92-T94 VanDerWaalsContact C-N 3.28Å; T92-T94 PolarHBondContact O-N 3.49Å; T94-I107 HydrophobicContact CG2-CD1 3.81Å; T94-I107 HydrophobicContact CG2-CG1 4.47Å; T94-I107 WeakPolarHBondContact O-CG1 3.32Å; T94-I107 PolarHBondContact O-N 3.38Å; T94-V299 HydrophobicContact CG2-CG1 4.1Å |
| 95 | M | 96.4 | Very high | 92 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.7 | -56.6 | -179.5 | -63.2 | -56.1 | -67.6 | 0 | 0 | 112.5 | I81 A83 K91 T92 G106 I107 I108 L229 D231 | I81-M95 HydrophobicContact CG2-SD 4.37Å; A83-M95 HydrophobicContact CB-CG 3.55Å; A83-M95 HydrophobicContact CB-SD 3.87Å; K91-M95 PolarHBondContact O-N 3.3Å; T92-M95 PolarHBondContact O-N 2.97Å; M95-G106 CarbonylContact O-C 3.26Å; M95-I107 PolarHBondContact O-N 2.88Å; M95-I108 HydrophobicContact CB-CD1 4.04Å; M95-I108 HydrophobicContact CB-CG1 4.46Å; M95-I108 HydrophobicContact CE-CD1 4.28Å; M95-I108 HydrophobicContact CE-CG1 4.2Å; M95-I108 WeakPolarHBondContact O-CB 3.44Å; M95-I108 WeakPolarHBondContact O-CG1 3.27Å; M95-I108 PolarHBondContact O-N 2.86Å; M95-L229 HydrophobicContact CE-CB 3.82Å; M95-D231 HydrophobicContact CB-CB 4.4Å; M95-D231 HydrophobicContact CG-CB 4.07Å |
| 96 | E | 92.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -45.1 | -176.8 | -65 | -178.8 | -168.9 | 0 | 0 | 112.2 | T92 L99 G106 I108 Y134 K187 | T92-E96 HydrophobicContact CG2-CB 4.5Å; T92-E96 HydrophobicContact CG2-CG 4.44Å; T92-E96 PolarHBondContact O-N 2.96Å; E96-L99 HydrophobicContact CB-CD2 3.92Å; E96-L99 HydrophobicContact CG-CD2 4.42Å; E96-G106 WeakPolarHBondContact O-CA 3.44Å; E96-G106 PolarHBondContact O-N 3.48Å; E96-I108 HydrophobicContact CG-CD1 4.12Å; E96-Y134 PolarHBondContact OE1-OH 3.3Å; E96-Y134 VanDerWaalsContact OE1-OH 3.13Å; E96-K187 VanDerWaalsContact OE2-CD 3.31Å; E96-K187 WeakPolarHBondContact OE2-CD 3.45Å; E96-K187 WeakPolarHBondContact OE2-CE 3.22Å; E96-K187 IonicContact OE2-NZ 3.23Å; E96-K187 PolarHBondContact OE2-NZ 3.45Å |
| 97 | G | 92.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 42 Ų | 42 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | 64.9 | -145.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T92 H93 A104 | T92-G97 PolarHBondContact O-N 3.12Å; T92-G97 VanDerWaalsContact O-N 3.09Å; H93-G97 WeakPolarHBondContact O-CA 3.5Å; H93-G97 PolarHBondContact O-N 3.28Å; G97-A104 WeakPolarHBondContact CA-O 3.46Å |
| 98 | N | 90.3 | Very high | 92.8 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -94.7 | 109.5 | 163.7 | -177.3 | 14.4 | 0 | 0 | 0 | 107.9 | H100 D101 A104 M105 | N98-H100 VanDerWaalsContact C-N 3.28Å; N98-H100 PolarHBondContact O-N 3.33Å; N98-D101 HydrophobicContact CB-CB 3.88Å; N98-D101 WeakPolarHBondContact ND2-CB 3.41Å; N98-D101 PolarHBondContact ND2-OD2 3.12Å; N98-D101 VanDerWaalsContact ND2-OD2 3.14Å; N98-D101 PolarHBondContact O-N 3Å; N98-A104 HydrophobicContact CB-CB 3.94Å; N98-A104 PolarHBondContact N-O 3.08Å; N98-A104 VanDerWaalsContact N-O 3.14Å; N98-M105 WeakPolarHBondContact O-CA 3.15Å; N98-M105 WeakPolarHBondContact O-CB 3.3Å; N98-M105 PolarHBondContact O-N 3.15Å |
| 99 | L | 87.8 | Confident | 93.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -37 | -166.2 | -64.1 | 175.1 | 0 | 0 | 0 | 113.5 | E96 P109 I183 D184 K187 | E96-L99 HydrophobicContact CB-CD2 3.92Å; E96-L99 HydrophobicContact CG-CD2 4.42Å; L99-P109 HydrophobicContact CD2-CG 3.56Å; L99-I183 HydrophobicContact CD1-CG2 3.77Å; L99-I183 HydrophobicContact CD2-CG2 4.3Å; L99-D184 VanDerWaalsContact CD1-OD1 3.25Å; L99-D184 WeakPolarHBondContact CD1-OD1 3.35Å; L99-K187 HydrophobicContact CD1-CD 4.21Å; L99-K187 VanDerWaalsContact CD1-NZ 3.31Å |
| 100 | H | 84.2 | Confident | 93.4 | Very high | 129 Ų | 129 | 39 Ų | 39 | 60% | 0.597 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 21.5 | -171 | -57.8 | -69.6 | 0 | 0 | 0 | 113.4 | N98 D184 | N98-H100 VanDerWaalsContact C-N 3.28Å; N98-H100 PolarHBondContact O-N 3.33Å; H100-D184 IonicContact CD2-OD2 2.65Å; H100-D184 IonicContact CE1-OD2 2.74Å; H100-D184 IonicContact NE2-OD2 2.76Å; H100-D184 PolarHBondContact NE2-OD2 2.94Å |
| 101 | D | 91.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 38.3 Ų | 38.3 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | trans | -128.6 | 115.2 | -174.5 | 173.2 | -26.6 | 0 | 0 | 0 | 109.7 | N98 D103 A104 M105 | N98-D101 HydrophobicContact CB-CB 3.88Å; N98-D101 WeakPolarHBondContact ND2-CB 3.41Å; N98-D101 PolarHBondContact ND2-OD2 3.12Å; N98-D101 VanDerWaalsContact ND2-OD2 3.14Å; N98-D101 PolarHBondContact O-N 3Å; D101-D103 PolarHBondContact O-N 3.42Å; D101-D103 VanDerWaalsContact O-N 3.16Å; D101-D103 PolarHBondContact OD1-N 2.88Å; D101-D103 VanDerWaalsContact OD1-N 3.12Å; D101-A104 HydrophobicContact CB-CB 4.2Å; D101-A104 VanDerWaalsContact CG-CB 3.47Å; D101-A104 PolarHBondContact O-N 3.24Å; D101-A104 PolarHBondContact OD1-N 2.76Å; D101-A104 WeakPolarHBondContact OD2-CB 3.32Å; D101-M105 WeakPolarHBondContact O-CB 3.45Å; D101-M105 WeakPolarHBondContact O-CG 3.29Å; D101-M105 PolarHBondContact O-N 2.9Å | ||
| 102 | T | 89.1 | Confident | 93.6 | Very high | 102 Ų | 102 | 37.8 Ų | 37.8 | 63% | 0.626 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.9 | -169.8 | -44.3 | 0 | 0 | 0 | 0 | 113.9 | R110 | T102-R110 PolarHBondContact O-NH1 3.05Å; T102-R110 PolarHBondContact O-NH2 3.39Å |
| 103 | D | 89.3 | Confident | 93.6 | Very high | 137 Ų | 137 | 39.1 Ų | 39.1 | 73% | 0.733 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -41 | -179.7 | -68.1 | -29.9 | 0 | 0 | 0 | 111.2 | D101 R110 | D101-D103 PolarHBondContact O-N 3.42Å; D101-D103 VanDerWaalsContact O-N 3.16Å; D101-D103 PolarHBondContact OD1-N 2.88Å; D101-D103 VanDerWaalsContact OD1-N 3.12Å; D103-R110 PolarHBondContact O-NH2 3.19Å |
| 104 | A | 91.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 36.7 Ų | 36.7 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | Q58 G97 N98 D101 | Q58-A104 PolarHBondContact NE2-O 2.74Å; G97-A104 WeakPolarHBondContact CA-O 3.46Å; N98-A104 HydrophobicContact CB-CB 3.94Å; N98-A104 PolarHBondContact N-O 3.08Å; N98-A104 VanDerWaalsContact N-O 3.14Å; D101-A104 HydrophobicContact CB-CB 4.2Å; D101-A104 VanDerWaalsContact CG-CB 3.47Å; D101-A104 PolarHBondContact O-N 3.24Å; D101-A104 PolarHBondContact OD1-N 2.76Å; D101-A104 WeakPolarHBondContact OD2-CB 3.32Å |
| 105 | M | 95.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -60.7 | 138.9 | 175 | 64.6 | 156.6 | 70.4 | 0 | 0 | 112.2 | Q58 N98 D101 P109 R110 | Q58-M105 WeakPolarHBondContact CB-O 3.48Å; Q58-M105 PolarHBondContact NE2-O 3.36Å; N98-M105 WeakPolarHBondContact O-CA 3.15Å; N98-M105 WeakPolarHBondContact O-CB 3.3Å; N98-M105 PolarHBondContact O-N 3.15Å; D101-M105 WeakPolarHBondContact O-CB 3.45Å; D101-M105 WeakPolarHBondContact O-CG 3.29Å; D101-M105 PolarHBondContact O-N 2.9Å; M105-P109 HydrophobicContact CB-CB 3.92Å; M105-P109 HydrophobicContact CB-CG 4.1Å; M105-P109 HydrophobicContact CE-CB 4.31Å; M105-P109 HydrophobicContact CG-CB 4.37Å; M105-P109 HydrophobicContact SD-CB 3.75Å; M105-R110 HydrophobicContact CG-CG 4.02Å; M105-R110 PolarHBondContact O-NE 2.89Å; M105-R110 PolarHBondContact O-NH2 2.88Å; M105-R110 HydrophobicContact SD-CG 3.57Å; M105-R110 VanDerWaalsContact SD-CG 3.57Å |
| 106 | G | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | -84.3 | -159.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M95 E96 R110 | M95-G106 CarbonylContact O-C 3.26Å; E96-G106 WeakPolarHBondContact O-CA 3.44Å; E96-G106 PolarHBondContact O-N 3.48Å; G106-R110 WeakPolarHBondContact O-CD 3.37Å; G106-R110 VanDerWaalsContact O-CG 3.29Å; G106-R110 WeakPolarHBondContact O-CG 3.27Å | ||
| 107 | I | 97.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 179.5 | -71.9 | 174.7 | 0 | 0 | 0 | 111.7 | V61 C65 A66 I81 T94 M95 R110 I111 V299 | V61-I107 HydrophobicContact CG1-CD1 4.29Å; C65-I107 HydrophobicContact CB-CD1 4.31Å; A66-I107 HydrophobicContact CB-CG2 3.87Å; I81-I107 HydrophobicContact CD1-CG2 4.1Å; I81-I107 HydrophobicContact CG2-CD1 4.29Å; T94-I107 HydrophobicContact CG2-CD1 3.81Å; T94-I107 HydrophobicContact CG2-CG1 4.47Å; T94-I107 WeakPolarHBondContact O-CG1 3.32Å; T94-I107 PolarHBondContact O-N 3.38Å; M95-I107 PolarHBondContact O-N 2.88Å; I107-R110 PolarHBondContact O-N 3.37Å; I107-I111 HydrophobicContact CG2-CD1 3.39Å; I107-I111 HydrophobicContact CG2-CG1 4.05Å; I107-I111 VanDerWaalsContact O-CG1 3.23Å; I107-I111 WeakPolarHBondContact O-CG1 3.37Å; I107-I111 PolarHBondContact O-N 3.49Å; I107-V299 HydrophobicContact CD1-CG2 4.46Å |
| 108 | I | 96.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | -173.8 | -58.5 | 167.7 | 0 | 0 | 0 | 111.5 | M95 E96 R110 I111 V112 I183 F208 L229 | M95-I108 HydrophobicContact CB-CD1 4.04Å; M95-I108 HydrophobicContact CB-CG1 4.46Å; M95-I108 HydrophobicContact CE-CD1 4.28Å; M95-I108 HydrophobicContact CE-CG1 4.2Å; M95-I108 WeakPolarHBondContact O-CB 3.44Å; M95-I108 WeakPolarHBondContact O-CG1 3.27Å; M95-I108 PolarHBondContact O-N 2.86Å; E96-I108 HydrophobicContact CG-CD1 4.12Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.43Å; I108-I111 WeakPolarHBondContact O-CB 3.35Å; I108-I111 PolarHBondContact O-N 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.5Å; I108-V112 PolarHBondContact O-N 3.21Å; I108-V112 VanDerWaalsContact O-N 3.08Å; I108-I183 HydrophobicContact CG2-CD1 3.66Å; I108-F208 HydrophobicContact CG2-CD1 4.16Å; I108-F208 HydrophobicContact CG2-CE1 4.41Å; I108-L229 HydrophobicContact CB-CD1 4.39Å; I108-L229 HydrophobicContact CD1-CB 4.32Å; I108-L229 HydrophobicContact CG1-CB 4.06Å; I108-L229 HydrophobicContact CG1-CD1 3.9Å; I108-L229 HydrophobicContact CG2-CD1 4.19Å |
| 109 | P | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.9 | -26.6 | 37.6 | 0 | 0 | 0 | 113.7 | L99 M105 V112 Q113 M180 | L99-P109 HydrophobicContact CD2-CG 3.56Å; M105-P109 HydrophobicContact CB-CB 3.92Å; M105-P109 HydrophobicContact CB-CG 4.1Å; M105-P109 HydrophobicContact CE-CB 4.31Å; M105-P109 HydrophobicContact CG-CB 4.37Å; M105-P109 HydrophobicContact SD-CB 3.75Å; P109-V112 PolarHBondContact O-N 3.4Å; P109-Q113 PolarHBondContact O-N 2.75Å; P109-M180 HydrophobicContact CB-CE 3.84Å; P109-M180 HydrophobicContact CB-SD 4.2Å; P109-M180 HydrophobicContact CG-SD 4.46Å |
| 110 | R | 97.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 46.7 Ų | 46.7 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 178.8 | -65.8 | 176.7 | -169.9 | -75.8 | -3.8 | 112.3 | Y62 T102 D103 M105 G106 I107 I108 Q113 D114 | Y62-R110 HydrophobicContact CD1-CB 3.92Å; Y62-R110 HydrophobicContact CD2-CB 3.6Å; Y62-R110 HydrophobicContact CE1-CB 4.12Å; Y62-R110 HydrophobicContact CE2-CB 3.86Å; Y62-R110 HydrophobicContact CG-CB 3.68Å; Y62-R110 HydrophobicContact CG-CG 4.36Å; T102-R110 PolarHBondContact O-NH1 3.05Å; T102-R110 PolarHBondContact O-NH2 3.39Å; D103-R110 PolarHBondContact O-NH2 3.19Å; M105-R110 HydrophobicContact CG-CG 4.02Å; M105-R110 PolarHBondContact O-NE 2.89Å; M105-R110 PolarHBondContact O-NH2 2.88Å; M105-R110 HydrophobicContact SD-CG 3.57Å; M105-R110 VanDerWaalsContact SD-CG 3.57Å; G106-R110 WeakPolarHBondContact O-CD 3.37Å; G106-R110 VanDerWaalsContact O-CG 3.29Å; G106-R110 WeakPolarHBondContact O-CG 3.27Å; I107-R110 PolarHBondContact O-N 3.37Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.43Å; R110-Q113 PolarHBondContact O-N 2.94Å; R110-D114 WeakPolarHBondContact O-CB 3.31Å; R110-D114 PolarHBondContact O-N 3.37Å |
| 111 | I | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 170.1 | -72 | 173.8 | 0 | 0 | 0 | 110.8 | Y62 A66 V70 I81 I107 I108 Q113 D114 I115 I210 L227 L229 | Y62-I111 HydrophobicContact CD2-CG1 4.44Å; Y62-I111 HydrophobicContact CE2-CG1 3.72Å; A66-I111 HydrophobicContact CB-CD1 4.32Å; A66-I111 HydrophobicContact CB-CG1 4.39Å; V70-I111 HydrophobicContact CG2-CB 4.15Å; V70-I111 HydrophobicContact CG2-CD1 4.4Å; V70-I111 HydrophobicContact CG2-CG1 3.63Å; V70-I111 HydrophobicContact CG2-CG2 4.02Å; I81-I111 HydrophobicContact CD1-CD1 3.92Å; I107-I111 HydrophobicContact CG2-CD1 3.39Å; I107-I111 HydrophobicContact CG2-CG1 4.05Å; I107-I111 VanDerWaalsContact O-CG1 3.23Å; I107-I111 WeakPolarHBondContact O-CG1 3.37Å; I107-I111 PolarHBondContact O-N 3.49Å; I108-I111 WeakPolarHBondContact O-CB 3.35Å; I108-I111 PolarHBondContact O-N 3.35Å; I111-Q113 VanDerWaalsContact C-N 3.35Å; I111-D114 PolarHBondContact O-N 3.37Å; I111-I115 HydrophobicContact CG2-CD1 3.65Å; I111-I115 HydrophobicContact CG2-CG1 4.37Å; I111-I115 WeakPolarHBondContact O-CB 3.21Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 3.45Å; I111-I210 HydrophobicContact CG2-CD1 3.82Å; I111-L227 HydrophobicContact CD1-CD2 4.23Å; I111-L227 HydrophobicContact CG2-CD2 3.69Å; I111-L229 HydrophobicContact CD1-CD1 3.72Å; I111-L229 HydrophobicContact CD1-CD2 3.49Å; I111-L229 VanDerWaalsContact CD1-CD2 3.49Å; I111-L229 HydrophobicContact CD1-CG 4.28Å; I111-L229 HydrophobicContact CG2-CD1 4.36Å |
| 112 | V | 96.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | I108 P109 I115 F116 P176 V179 M180 I210 | I108-V112 WeakPolarHBondContact O-CG2 3.5Å; I108-V112 PolarHBondContact O-N 3.21Å; I108-V112 VanDerWaalsContact O-N 3.08Å; P109-V112 PolarHBondContact O-N 3.4Å; V112-I115 PolarHBondContact O-N 2.97Å; V112-F116 HydrophobicContact CG1-CD2 3.9Å; V112-F116 HydrophobicContact CG1-CE2 4.06Å; V112-F116 WeakPolarHBondContact O-CD2 3.49Å; V112-F116 PolarHBondContact O-N 3.27Å; V112-F116 VanDerWaalsContact O-N 3.08Å; V112-P176 HydrophobicContact CG1-CB 4Å; V112-V179 HydrophobicContact CG1-CB 3.88Å; V112-V179 HydrophobicContact CG1-CG1 4.25Å; V112-V179 HydrophobicContact CG1-CG2 4.03Å; V112-V179 HydrophobicContact CG2-CB 4.15Å; V112-V179 HydrophobicContact CG2-CG1 3.59Å; V112-M180 HydrophobicContact CB-CE 4.23Å; V112-M180 HydrophobicContact CG1-CE 4.08Å; V112-I210 HydrophobicContact CG2-CD1 4.2Å |
| 113 | Q | 94.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 178.3 | -168.1 | 175.7 | 19 | 0 | 0 | 112.1 | P109 R110 I111 F116 N117 | P109-Q113 PolarHBondContact O-N 2.75Å; R110-Q113 PolarHBondContact O-N 2.94Å; I111-Q113 VanDerWaalsContact C-N 3.35Å; Q113-F116 PolarHBondContact O-N 3.21Å; Q113-N117 VanDerWaalsContact O-CB 3.23Å; Q113-N117 WeakPolarHBondContact O-CB 3.46Å; Q113-N117 PolarHBondContact O-N 2.85Å; Q113-N117 PolarHBondContact O-ND2 2.94Å |
| 114 | D | 95.4 | Very high | 92.8 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 178.6 | -87.9 | 7 | 0 | 0 | 0 | 113.2 | Y62 V70 R110 I111 Y118 | Y62-D114 VanDerWaalsContact CE1-OD2 3.27Å; Y62-D114 WeakPolarHBondContact CE1-OD2 3.42Å; Y62-D114 VanDerWaalsContact CZ-OD2 3.3Å; Y62-D114 WeakPolarHBondContact OH-CB 3.48Å; Y62-D114 VanDerWaalsContact OH-CG 3.24Å; Y62-D114 PolarHBondContact OH-OD2 3.38Å; V70-D114 HydrophobicContact CG1-CB 4.25Å; R110-D114 WeakPolarHBondContact O-CB 3.31Å; R110-D114 PolarHBondContact O-N 3.37Å; I111-D114 PolarHBondContact O-N 3.37Å; D114-Y118 VanDerWaalsContact O-CB 3.27Å; D114-Y118 WeakPolarHBondContact O-CB 3.23Å; D114-Y118 PolarHBondContact O-N 3.45Å |
| 115 | I | 95.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 174.6 | -73.8 | 171.4 | 0 | 0 | 0 | 110.5 | V70 L74 I111 V112 Y118 I119 I130 I210 V212 | V70-I115 HydrophobicContact CG1-CG1 3.71Å; L74-I115 HydrophobicContact CD2-CG2 4.45Å; I111-I115 HydrophobicContact CG2-CD1 3.65Å; I111-I115 HydrophobicContact CG2-CG1 4.37Å; I111-I115 WeakPolarHBondContact O-CB 3.21Å; I111-I115 VanDerWaalsContact O-CG1 3.26Å; I111-I115 WeakPolarHBondContact O-CG1 3.48Å; I111-I115 PolarHBondContact O-N 3.45Å; V112-I115 PolarHBondContact O-N 2.97Å; I115-Y118 PolarHBondContact O-N 2.9Å; I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 VanDerWaalsContact O-CG1 3.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.49Å; I115-I119 PolarHBondContact O-N 3.17Å; I115-I119 VanDerWaalsContact O-N 3.07Å; I115-I130 HydrophobicContact CG2-CD1 3.88Å; I115-I210 HydrophobicContact CD1-CD1 4.26Å; I115-I210 HydrophobicContact CD1-CG2 4.17Å; I115-V212 HydrophobicContact CD1-CG2 4.24Å; I115-V212 HydrophobicContact CG2-CG2 4.29Å |
| 116 | F | 95.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.2 | -41.3 | 179.6 | -81 | -72.2 | 0 | 0 | 0 | 112.3 | V112 Q113 Y118 I119 Y120 I130 C174 S175 P176 V179 | V112-F116 HydrophobicContact CG1-CD2 3.9Å; V112-F116 HydrophobicContact CG1-CE2 4.06Å; V112-F116 WeakPolarHBondContact O-CD2 3.49Å; V112-F116 PolarHBondContact O-N 3.27Å; V112-F116 VanDerWaalsContact O-N 3.08Å; Q113-F116 PolarHBondContact O-N 3.21Å; F116-Y118 VanDerWaalsContact C-N 3.28Å; F116-Y118 PolarHBondContact O-N 3.28Å; F116-I119 PolarHBondContact O-N 2.93Å; F116-I119 VanDerWaalsContact O-N 3.15Å; F116-Y120 HydrophobicContact CB-CD2 4.5Å; F116-Y120 HydrophobicContact CB-CE2 3.84Å; F116-Y120 HydrophobicContact CD1-CE1 4.26Å; F116-Y120 AromaticContact CD1-CZ 3.91Å; F116-Y120 WeakPolarHBondContact CD1-OH 3.27Å; F116-Y120 WeakPolarHBondContact O-CD2 3.21Å; F116-Y120 PolarHBondContact O-N 3.01Å; F116-I130 HydrophobicContact CD1-CD1 4.19Å; F116-I130 HydrophobicContact CE1-CD1 3.56Å; F116-I130 HydrophobicContact CE2-CD1 4.01Å; F116-I130 HydrophobicContact CZ-CD1 3.47Å; F116-I130 VanDerWaalsContact CZ-CD1 3.47Å; F116-C174 VanDerWaalsContact CE1-C 3.48Å; F116-C174 WeakPolarHBondContact CE1-O 3.36Å; F116-S175 WeakPolarHBondContact CE2-O 3.49Å; F116-S175 WeakPolarHBondContact CZ-O 3.48Å; F116-P176 HydrophobicContact CB-CG 3.82Å; F116-P176 HydrophobicContact CD2-CB 4.2Å; F116-P176 HydrophobicContact CD2-CG 3.65Å; F116-P176 HydrophobicContact CE2-CG 4.38Å; F116-P176 HydrophobicContact CG-CG 3.8Å; F116-V179 HydrophobicContact CE2-CG2 3.92Å; F116-V179 HydrophobicContact CZ-CG2 4.49Å |
| 117 | N | 93.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56 | -42.3 | 172.6 | -75.8 | -17.7 | 0 | 0 | 0 | 112 | Q113 S121 | Q113-N117 VanDerWaalsContact O-CB 3.23Å; Q113-N117 WeakPolarHBondContact O-CB 3.46Å; Q113-N117 PolarHBondContact O-N 2.85Å; Q113-N117 PolarHBondContact O-ND2 2.94Å; N117-S121 PolarHBondContact O-N 3.49Å; N117-S121 PolarHBondContact O-OG 2.72Å |
| 118 | Y | 92.3 | Very high | 91.7 | Very high | 67 Ų | 67 | 56.9 Ų | 56.9 | 26% | 0.263 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 175.3 | 179.4 | -90.4 | 0 | 0 | 0 | 110.9 | L74 D114 I115 F116 Y120 S121 M122 F128 | L74-Y118 HydrophobicContact CB-CD1 4.32Å; L74-Y118 HydrophobicContact CB-CE1 4Å; L74-Y118 HydrophobicContact CD1-CD1 3.8Å; L74-Y118 HydrophobicContact CD1-CD2 3.97Å; L74-Y118 HydrophobicContact CD1-CE1 4.29Å; L74-Y118 HydrophobicContact CD1-CE2 4.44Å; L74-Y118 HydrophobicContact CD1-CG 3.61Å; L74-Y118 HydrophobicContact CD2-CD1 3.74Å; L74-Y118 HydrophobicContact CD2-CE1 4.08Å; L74-Y118 HydrophobicContact CD2-CG 4.37Å; L74-Y118 HydrophobicContact CG-CD1 4.16Å; L74-Y118 HydrophobicContact CG-CE1 4.35Å; L74-Y118 HydrophobicContact CG-CG 4.46Å; D114-Y118 VanDerWaalsContact O-CB 3.27Å; D114-Y118 WeakPolarHBondContact O-CB 3.23Å; D114-Y118 PolarHBondContact O-N 3.45Å; I115-Y118 PolarHBondContact O-N 2.9Å; F116-Y118 VanDerWaalsContact C-N 3.28Å; F116-Y118 PolarHBondContact O-N 3.28Å; Y118-Y120 VanDerWaalsContact C-N 3.32Å; Y118-Y120 PolarHBondContact O-N 2.9Å; Y118-S121 CarbonylContact O-C 3.44Å; Y118-S121 WeakPolarHBondContact O-CA 3.27Å; Y118-S121 PolarHBondContact O-N 2.89Å; Y118-S121 PolarHBondContact O-OG 3.43Å; Y118-M122 HydrophobicContact CD1-CE 4.36Å; Y118-M122 HydrophobicContact CD1-CG 3.82Å; Y118-M122 HydrophobicContact CD1-SD 4.32Å; Y118-M122 HydrophobicContact CD2-CE 3.99Å; Y118-M122 HydrophobicContact CE1-CE 4.02Å; Y118-M122 HydrophobicContact CE1-CG 3.56Å; Y118-M122 HydrophobicContact CE1-SD 3.6Å; Y118-M122 HydrophobicContact CE2-CE 3.6Å; Y118-M122 HydrophobicContact CE2-SD 4.15Å; Y118-M122 HydrophobicContact CG-CE 4.36Å; Y118-M122 VanDerWaalsContact CZ-SD 3.5Å; Y118-M122 WeakPolarHBondContact O-CG 3.29Å; Y118-M122 PolarHBondContact O-N 3.33Å; Y118-F128 HydrophobicContact CE1-CE1 4.48Å; Y118-F128 HydrophobicContact CE1-CZ 4.17Å |
| 119 | I | 91.2 | Very high | 91.6 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 179.6 | -69.6 | 167.1 | 0 | 0 | 0 | 111.6 | I115 F116 S121 M122 F128 I130 | I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 VanDerWaalsContact O-CG1 3.29Å; I115-I119 WeakPolarHBondContact O-CG1 3.49Å; I115-I119 PolarHBondContact O-N 3.17Å; I115-I119 VanDerWaalsContact O-N 3.07Å; F116-I119 PolarHBondContact O-N 2.93Å; F116-I119 VanDerWaalsContact O-N 3.15Å; I119-S121 PolarHBondContact O-N 3.39Å; I119-S121 VanDerWaalsContact O-N 3.16Å; I119-M122 PolarHBondContact O-N 2.82Å; I119-F128 HydrophobicContact CB-CD2 4.32Å; I119-F128 HydrophobicContact CB-CG 4.49Å; I119-F128 HydrophobicContact CD1-CB 3.94Å; I119-F128 HydrophobicContact CD1-CD1 3.89Å; I119-F128 HydrophobicContact CD1-CG 3.88Å; I119-F128 HydrophobicContact CG1-CB 4.23Å; I119-F128 HydrophobicContact CG1-CD1 3.72Å; I119-F128 HydrophobicContact CG1-CD2 3.9Å; I119-F128 HydrophobicContact CG1-CE1 4Å; I119-F128 HydrophobicContact CG1-CE2 4.16Å; I119-F128 HydrophobicContact CG1-CG 3.67Å; I119-F128 HydrophobicContact CG1-CZ 4.22Å; I119-F128 HydrophobicContact CG2-CB 4.24Å; I119-F128 HydrophobicContact CG2-CD2 3.8Å; I119-F128 HydrophobicContact CG2-CE2 4.42Å; I119-F128 HydrophobicContact CG2-CG 4.1Å; I119-I130 HydrophobicContact CD1-CD1 3.68Å; I119-I130 HydrophobicContact CD1-CG1 4.17Å |
| 120 | Y | 91.8 | Very high | 91.6 | Very high | 146 Ų | 146 | 60.8 Ų | 60.8 | 57% | 0.573 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.6 | 175.1 | -54.4 | -31.6 | 0 | 0 | 0 | 114.1 | F116 Y118 | F116-Y120 HydrophobicContact CB-CD2 4.5Å; F116-Y120 HydrophobicContact CB-CE2 3.84Å; F116-Y120 HydrophobicContact CD1-CE1 4.26Å; F116-Y120 AromaticContact CD1-CZ 3.91Å; F116-Y120 WeakPolarHBondContact CD1-OH 3.27Å; F116-Y120 WeakPolarHBondContact O-CD2 3.21Å; F116-Y120 PolarHBondContact O-N 3.01Å; Y118-Y120 VanDerWaalsContact C-N 3.32Å; Y118-Y120 PolarHBondContact O-N 2.9Å |
| 121 | S | 90.7 | Very high | 91.6 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 58% | 0.58 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 0.6 | 178.1 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | N117 Y118 I119 | N117-S121 PolarHBondContact O-N 3.49Å; N117-S121 PolarHBondContact O-OG 2.72Å; Y118-S121 CarbonylContact O-C 3.44Å; Y118-S121 WeakPolarHBondContact O-CA 3.27Å; Y118-S121 PolarHBondContact O-N 2.89Å; Y118-S121 PolarHBondContact O-OG 3.43Å; I119-S121 PolarHBondContact O-N 3.39Å; I119-S121 VanDerWaalsContact O-N 3.16Å |
| 122 | M | 87.7 | Confident | 91.6 | Very high | 61 Ų | 61 | 62.1 Ų | 62.1 | 30% | 0.3 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -87 | 160.4 | 179.6 | -75.1 | -60.2 | 101.6 | 0 | 0 | 112.9 | Y118 I119 L126 F128 | Y118-M122 HydrophobicContact CD1-CE 4.36Å; Y118-M122 HydrophobicContact CD1-CG 3.82Å; Y118-M122 HydrophobicContact CD1-SD 4.32Å; Y118-M122 HydrophobicContact CD2-CE 3.99Å; Y118-M122 HydrophobicContact CE1-CE 4.02Å; Y118-M122 HydrophobicContact CE1-CG 3.56Å; Y118-M122 HydrophobicContact CE1-SD 3.6Å; Y118-M122 HydrophobicContact CE2-CE 3.6Å; Y118-M122 HydrophobicContact CE2-SD 4.15Å; Y118-M122 HydrophobicContact CG-CE 4.36Å; Y118-M122 VanDerWaalsContact CZ-SD 3.5Å; Y118-M122 WeakPolarHBondContact O-CG 3.29Å; Y118-M122 PolarHBondContact O-N 3.33Å; I119-M122 PolarHBondContact O-N 2.82Å; M122-L126 HydrophobicContact CB-CD1 4.23Å; M122-L126 HydrophobicContact CG-CD1 4.19Å; M122-L126 HydrophobicContact SD-CD1 4.02Å; M122-F128 HydrophobicContact CB-CE2 4Å; M122-F128 HydrophobicContact CB-CZ 4.42Å; M122-F128 HydrophobicContact CG-CE2 4Å; M122-F128 HydrophobicContact CG-CZ 3.91Å |
| 123 | D | 73.6 | Confident | 91.7 | Very high | 120 Ų | 120 | 62.3 Ų | 62.3 | 64% | 0.642 | 30% | 0.304 | S | S | * | . | trans | -60.3 | 145.8 | 172.2 | -69.6 | -53.8 | 0 | 0 | 0 | 112 | N125 L126 | D123-N125 PolarHBondContact O-N 2.95Å; D123-L126 PolarHBondContact O-N 3.48Å; D123-L126 VanDerWaalsContact O-N 3.09Å | ||
| 124 | E | 80.7 | Confident | 91.8 | Very high | 197 Ų | 197 | 58.6 Ų | 58.6 | 92% | 0.921 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -7.6 | 175.3 | -58.5 | -178 | 162.3 | 0 | 0 | 114.5 | ||
| 125 | N | 86.2 | Confident | 91.8 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.6 | -179.9 | -55.6 | -77 | 0 | 0 | 0 | 113.7 | D123 N216 T217 Q218 | D123-N125 PolarHBondContact O-N 2.95Å; N125-N216 CarbonylContact O-C 3.6Å; N125-N216 WeakPolarHBondContact O-CA 3.5Å; N125-T217 PolarHBondContact O-N 3.25Å; N125-T217 PolarHBondContact O-OG1 2.97Å; N125-Q218 HydrophobicContact CB-CG 4.32Å; N125-Q218 PolarHBondContact OD1-NE2 3Å |
| 126 | L | 88.9 | Confident | 91.7 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.7 | 176.7 | -69.8 | 174.3 | 0 | 0 | 0 | 110.7 | M122 D123 F128 N216 | M122-L126 HydrophobicContact CB-CD1 4.23Å; M122-L126 HydrophobicContact CG-CD1 4.19Å; M122-L126 HydrophobicContact SD-CD1 4.02Å; D123-L126 PolarHBondContact O-N 3.48Å; D123-L126 VanDerWaalsContact O-N 3.09Å; L126-F128 HydrophobicContact CB-CD2 4.25Å; L126-F128 HydrophobicContact CB-CE2 3.51Å; L126-F128 HydrophobicContact CB-CZ 4Å; L126-F128 HydrophobicContact CD1-CE2 4.35Å; L126-F128 HydrophobicContact CD1-CZ 4.15Å; L126-F128 VanDerWaalsContact O-CD2 3.31Å; L126-F128 WeakPolarHBondContact O-CD2 3.17Å; L126-N216 HydrophobicContact CD2-CB 3.83Å |
| 127 | E | 91.2 | Very high | 91.6 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 47% | 0.467 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.8 | 174.4 | -174 | 178 | -164 | 0 | 0 | 110.3 | H129 Q214 E215 | E127-H129 IonicContact OE1-CE1 3.24Å; E127-H129 PolarHBondContact OE1-CE1 3.43Å; E127-Q214 CarbonylContact O-C 3.59Å; E127-Q214 VanDerWaalsContact O-CA 3.29Å; E127-Q214 WeakPolarHBondContact O-CA 3.11Å; E127-E215 PolarHBondContact N-O 3.35Å; E127-E215 PolarHBondContact O-N 2.98Å |
| 128 | F | 93.2 | Very high | 91.3 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.4 | -178 | -70.7 | -89.6 | 0 | 0 | 0 | 112.8 | Y118 I119 M122 L126 V212 Q214 | Y118-F128 HydrophobicContact CE1-CE1 4.48Å; Y118-F128 HydrophobicContact CE1-CZ 4.17Å; I119-F128 HydrophobicContact CB-CD2 4.32Å; I119-F128 HydrophobicContact CB-CG 4.49Å; I119-F128 HydrophobicContact CD1-CB 3.94Å; I119-F128 HydrophobicContact CD1-CD1 3.89Å; I119-F128 HydrophobicContact CD1-CG 3.88Å; I119-F128 HydrophobicContact CG1-CB 4.23Å; I119-F128 HydrophobicContact CG1-CD1 3.72Å; I119-F128 HydrophobicContact CG1-CD2 3.9Å; I119-F128 HydrophobicContact CG1-CE1 4Å; I119-F128 HydrophobicContact CG1-CE2 4.16Å; I119-F128 HydrophobicContact CG1-CG 3.67Å; I119-F128 HydrophobicContact CG1-CZ 4.22Å; I119-F128 HydrophobicContact CG2-CB 4.24Å; I119-F128 HydrophobicContact CG2-CD2 3.8Å; I119-F128 HydrophobicContact CG2-CE2 4.42Å; I119-F128 HydrophobicContact CG2-CG 4.1Å; M122-F128 HydrophobicContact CB-CE2 4Å; M122-F128 HydrophobicContact CB-CZ 4.42Å; M122-F128 HydrophobicContact CG-CE2 4Å; M122-F128 HydrophobicContact CG-CZ 3.91Å; L126-F128 HydrophobicContact CB-CD2 4.25Å; L126-F128 HydrophobicContact CB-CE2 3.51Å; L126-F128 HydrophobicContact CB-CZ 4Å; L126-F128 HydrophobicContact CD1-CE2 4.35Å; L126-F128 HydrophobicContact CD1-CZ 4.15Å; L126-F128 VanDerWaalsContact O-CD2 3.31Å; L126-F128 WeakPolarHBondContact O-CD2 3.17Å; F128-V212 HydrophobicContact CD1-CG1 4.17Å; F128-Q214 HydrophobicContact CD1-CB 3.63Å; F128-Q214 HydrophobicContact CE1-CB 3.56Å; F128-Q214 HydrophobicContact CE1-CG 4.33Å; F128-Q214 HydrophobicContact CG-CB 4.35Å; F128-Q214 HydrophobicContact CZ-CB 4.23Å |
| 129 | H | 94.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 54.6 Ų | 54.6 | 38% | 0.375 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 97 | 178.1 | -81 | 83.2 | 0 | 0 | 0 | 109.4 | E127 K213 | E127-H129 IonicContact OE1-CE1 3.24Å; E127-H129 PolarHBondContact OE1-CE1 3.43Å; H129-K213 HydrophobicContact CB-CB 4.05Å; H129-K213 PolarHBondContact N-O 2.91Å; H129-K213 PolarHBondContact O-N 2.92Å |
| 130 | I | 96.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.1 | 177.1 | -49.3 | 173.5 | 0 | 0 | 0 | 110 | I115 F116 I119 F172 V173 I210 | I115-I130 HydrophobicContact CG2-CD1 3.88Å; F116-I130 HydrophobicContact CD1-CD1 4.19Å; F116-I130 HydrophobicContact CE1-CD1 3.56Å; F116-I130 HydrophobicContact CE2-CD1 4.01Å; F116-I130 HydrophobicContact CZ-CD1 3.47Å; F116-I130 VanDerWaalsContact CZ-CD1 3.47Å; I119-I130 HydrophobicContact CD1-CD1 3.68Å; I119-I130 HydrophobicContact CD1-CG1 4.17Å; I130-F172 WeakPolarHBondContact O-CA 3.31Å; I130-V173 HydrophobicContact CB-CG2 3.9Å; I130-V173 HydrophobicContact CG2-CG2 3.58Å; I130-V173 PolarHBondContact O-N 2.72Å; I130-I210 HydrophobicContact CG2-CG2 3.93Å |
| 131 | K | 97.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144 | 168.1 | -72.6 | 176 | 163.8 | -167.6 | 0 | 110.8 | E170 R171 F172 N211 | K131-E170 HydrophobicContact CD-CB 4.23Å; K131-E170 WeakPolarHBondContact CD-OE2 3.47Å; K131-E170 WeakPolarHBondContact CE-OE2 3.17Å; K131-E170 IonicContact NZ-OE2 2.72Å; K131-E170 PolarHBondContact NZ-OE2 2.87Å; K131-R171 CarbonylContact C-O 3.54Å; K131-R171 VanDerWaalsContact CA-O 3.31Å; K131-R171 WeakPolarHBondContact CA-O 3.48Å; K131-F172 HydrophobicContact CD-CE1 4.16Å; K131-F172 HydrophobicContact CD-CZ 4.34Å; K131-F172 HydrophobicContact CG-CD1 3.74Å; K131-F172 HydrophobicContact CG-CE1 3.78Å; K131-F172 HydrophobicContact CG-CG 4.26Å; K131-F172 HydrophobicContact CG-CZ 4.34Å; K131-N211 HydrophobicContact CB-CB 4.33Å; K131-N211 PolarHBondContact N-O 2.63Å; K131-N211 PolarHBondContact O-N 3.43Å |
| 132 | V | 97.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.1 | 171.5 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | R171 V173 V179 T182 F208 L209 I210 | V132-R171 HydrophobicContact CG2-CB 4.21Å; V132-R171 PolarHBondContact N-O 3.48Å; V132-R171 PolarHBondContact O-N 2.91Å; V132-V173 HydrophobicContact CG1-CG2 3.99Å; V132-V173 HydrophobicContact CG2-CG1 3.71Å; V132-V173 HydrophobicContact CG2-CG2 4.34Å; V132-V179 HydrophobicContact CG1-CG1 4.28Å; V132-T182 HydrophobicContact CG2-CG2 3.85Å; V132-F208 HydrophobicContact CB-CE1 4.38Å; V132-F208 HydrophobicContact CB-CE2 4.44Å; V132-F208 HydrophobicContact CB-CZ 3.85Å; V132-F208 HydrophobicContact CG1-CE1 4.04Å; V132-F208 HydrophobicContact CG1-CZ 3.86Å; V132-F208 HydrophobicContact CG2-CZ 4.43Å; V132-L209 CarbonylContact C-O 3.6Å; V132-L209 VanDerWaalsContact CA-O 3.27Å; V132-L209 WeakPolarHBondContact CA-O 3.35Å; V132-I210 HydrophobicContact CG1-CG1 4.27Å; V132-I210 HydrophobicContact CG1-CG2 4.47Å |
| 133 | S | 97.4 | Very high | 90.9 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 133.4 | 170.3 | -67.9 | 0 | 0 | 0 | 0 | 109.2 | T169 L209 | S133-T169 WeakPolarHBondContact CA-O 3.29Å; S133-T169 VanDerWaalsContact CB-O 3.29Å; S133-T169 WeakPolarHBondContact CB-O 3.35Å; S133-T169 PolarHBondContact OG-O 2.93Å; S133-L209 PolarHBondContact N-O 3.45Å; S133-L209 PolarHBondContact O-N 3.27Å |
| 134 | Y | 97.3 | Very high | 92 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.4 | 175 | -161.8 | -175.2 | 0 | 0 | 0 | 110 | E96 L145 I183 K187 S206 I207 F208 | E96-Y134 PolarHBondContact OE1-OH 3.3Å; E96-Y134 VanDerWaalsContact OE1-OH 3.13Å; Y134-L145 HydrophobicContact CD1-CB 4.37Å; Y134-L145 HydrophobicContact CD1-CD1 4.1Å; Y134-L145 HydrophobicContact CD2-CD1 3.78Å; Y134-L145 HydrophobicContact CE1-CD1 4.07Å; Y134-L145 HydrophobicContact CE2-CD1 3.73Å; Y134-L145 HydrophobicContact CG-CB 4.21Å; Y134-L145 HydrophobicContact CG-CD1 3.96Å; Y134-L145 WeakPolarHBondContact O-CB 3.22Å; Y134-L145 PolarHBondContact O-N 3Å; Y134-I183 HydrophobicContact CE1-CG2 4.46Å; Y134-K187 HydrophobicContact CE1-CG 4.46Å; Y134-S206 PolarHBondContact OH-OG 2.77Å; Y134-I207 WeakPolarHBondContact CD2-O 3.45Å; Y134-F208 AromaticContact CD1-CD2 3.95Å; Y134-F208 HydrophobicContact CD1-CD2 3.95Å; Y134-F208 HydrophobicContact CD1-CE2 4.34Å; Y134-F208 HydrophobicContact CD2-CB 4.19Å; Y134-F208 AromaticContact CD2-CD2 3.86Å; Y134-F208 HydrophobicContact CD2-CD2 3.86Å; Y134-F208 HydrophobicContact CE2-CB 4.38Å; Y134-F208 HydrophobicContact CE2-CD2 4.45Å; Y134-F208 AromaticContact CG-CD2 3.59Å; Y134-F208 HydrophobicContact CG-CD2 3.59Å; Y134-F208 HydrophobicContact CG-CE2 4.21Å |
| 135 | F | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.6 | 177.2 | 58.8 | -90.4 | 0 | 0 | 0 | 111.3 | I142 R143 V165 I207 I285 | F135-I142 HydrophobicContact CB-CG2 4.19Å; F135-I142 HydrophobicContact CD2-CG2 3.67Å; F135-I142 HydrophobicContact CE2-CG2 4.37Å; F135-I142 HydrophobicContact CG-CG2 4.17Å; F135-R143 CarbonylContact C-O 3.57Å; F135-R143 VanDerWaalsContact CA-O 3.28Å; F135-R143 WeakPolarHBondContact CA-O 3.35Å; F135-R143 VanDerWaalsContact CB-O 3.28Å; F135-R143 WeakPolarHBondContact CB-O 3.43Å; F135-V165 HydrophobicContact CE1-CG2 4.29Å; F135-V165 HydrophobicContact CE2-CG2 4.07Å; F135-V165 HydrophobicContact CZ-CG2 3.84Å; F135-I207 HydrophobicContact CD2-CB 4.17Å; F135-I207 HydrophobicContact CE1-CB 4.35Å; F135-I207 HydrophobicContact CE1-CG2 4.06Å; F135-I207 HydrophobicContact CE2-CB 3.73Å; F135-I207 HydrophobicContact CE2-CD1 3.92Å; F135-I207 HydrophobicContact CE2-CG1 4.23Å; F135-I207 HydrophobicContact CE2-CG2 4.03Å; F135-I207 HydrophobicContact CZ-CB 3.83Å; F135-I207 HydrophobicContact CZ-CD1 4.35Å; F135-I207 HydrophobicContact CZ-CG2 3.59Å; F135-I207 PolarHBondContact N-O 2.85Å; F135-I207 VanDerWaalsContact N-O 3.15Å; F135-I207 PolarHBondContact O-N 2.92Å; F135-I285 HydrophobicContact CE2-CD1 3.97Å; F135-I285 HydrophobicContact CZ-CD1 4.36Å; F135-I285 HydrophobicContact CZ-CG2 4.47Å |
| 136 | E | 93.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 154 | 172 | 67.9 | 179.9 | 163.7 | 0 | 0 | 112 | I142 R143 L145 R190 H200 S204 H205 | E136-I142 CarbonylContact O-C 3.58Å; E136-I142 WeakPolarHBondContact O-CA 3.25Å; E136-R143 HydrophobicContact CG-CB 4.05Å; E136-R143 PolarHBondContact N-O 3.3Å; E136-R143 PolarHBondContact O-N 2.81Å; E136-R143 IonicContact OE1-CZ 3.42Å; E136-R143 IonicContact OE1-NH1 3.46Å; E136-R143 PolarHBondContact OE1-NH1 3.31Å; E136-L145 HydrophobicContact CB-CD1 4.21Å; E136-L145 HydrophobicContact CB-CD2 4.42Å; E136-L145 HydrophobicContact CB-CG 4.38Å; E136-L145 HydrophobicContact CG-CD2 3.96Å; E136-L145 HydrophobicContact CG-CG 4.35Å; E136-R190 IonicContact OE2-NE 3.43Å; E136-R190 PolarHBondContact OE2-NE 3.12Å; E136-H200 IonicContact OE1-CE1 2.64Å; E136-H200 IonicContact OE2-CE1 3.88Å; E136-H200 PolarHBondContact OE2-CE1 3.14Å; E136-H200 VanDerWaalsContact OE2-CE1 3.3Å; E136-H200 IonicContact OE2-ND1 3.52Å; E136-S204 VanDerWaalsContact OE2-CB 3.27Å; E136-S204 WeakPolarHBondContact OE2-CB 3.5Å; E136-S204 PolarHBondContact OE2-OG 3.34Å; E136-H205 CarbonylContact C-O 3.52Å; E136-H205 VanDerWaalsContact CA-O 3.23Å; E136-H205 WeakPolarHBondContact CA-O 3.37Å |
| 137 | I | 91.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.9 | 168.1 | -48.5 | -175.6 | 0 | 0 | 0 | 108.1 | K141 I142 S204 H205 I207 M282 I285 | I137-K141 WeakPolarHBondContact CA-O 3.25Å; I137-I142 HydrophobicContact CD1-CG1 4.48Å; I137-I142 HydrophobicContact CG1-CG1 4.2Å; I137-S204 WeakPolarHBondContact O-CA 3.34Å; I137-H205 HydrophobicContact CB-CB 4.34Å; I137-H205 PolarHBondContact N-O 2.82Å; I137-H205 PolarHBondContact O-CD2 2.64Å; I137-H205 PolarHBondContact O-N 2.63Å; I137-I207 HydrophobicContact CD1-CD1 3.93Å; I137-M282 HydrophobicContact CD1-CB 3.79Å; I137-M282 HydrophobicContact CD1-CG 4.07Å; I137-I285 HydrophobicContact CD1-CD1 3.99Å |
| 138 | Y | 87.3 | Confident | 93.2 | Very high | 60 Ų | 60 | 30.2 Ų | 30.2 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.5 | 178.5 | 178.9 | -122 | 0 | 0 | 0 | 108.9 | D140 K141 H200 R203 E250 I254 | Y138-D140 PolarHBondContact O-N 2.86Å; Y138-K141 PolarHBondContact N-O 2.93Å; Y138-K141 WeakPolarHBondContact O-CA 3.33Å; Y138-K141 WeakPolarHBondContact O-CB 3.34Å; Y138-K141 PolarHBondContact O-N 3.15Å; Y138-K141 VanDerWaalsContact O-O 3.12Å; Y138-H200 AromaticContact CD1-NE2 3.54Å; Y138-H200 AromaticContact CD2-NE2 3.6Å; Y138-H200 AromaticContact CE1-NE2 3.56Å; Y138-H200 AromaticContact CE2-CD2 3.94Å; Y138-H200 AromaticContact CE2-NE2 3.64Å; Y138-H200 AromaticContact CG-NE2 3.55Å; Y138-H200 AromaticContact CZ-CD2 3.89Å; Y138-H200 AromaticContact CZ-NE2 3.6Å; Y138-R203 HydrophobicContact CE2-CB 4.39Å; Y138-E250 HydrophobicContact CE2-CG 4.15Å; Y138-E250 VanDerWaalsContact OH-CD 3.22Å; Y138-E250 WeakPolarHBondContact OH-CG 3.34Å; Y138-E250 PolarHBondContact OH-OE1 2.78Å; Y138-I254 HydrophobicContact CE2-CD1 4.27Å |
| 139 | L | 83.3 | Confident | 93 | Very high | 54 Ų | 54 | 32.7 Ų | 32.7 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.3 | -175.9 | -53 | 176 | 0 | 0 | 0 | 113.8 | K141 E250 N253 I254 | L139-K141 PolarHBondContact O-N 3.42Å; L139-K141 VanDerWaalsContact O-N 3.07Å; L139-E250 HydrophobicContact CD2-CB 4.37Å; L139-E250 HydrophobicContact CD2-CG 3.88Å; L139-N253 HydrophobicContact CD2-CB 3.67Å; L139-I254 HydrophobicContact CD2-CG1 4.5Å |
| 140 | D | 87 | Confident | 92.9 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 18% | 0.176 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 16.8 | -173.9 | -147.4 | 10.4 | 0 | 0 | 0 | 114.1 | Y138 K256 K281 | Y138-D140 PolarHBondContact O-N 2.86Å; D140-K256 IonicContact OD2-NZ 3.78Å; D140-K256 PolarHBondContact OD2-NZ 3.07Å; D140-K281 WeakPolarHBondContact O-CD 3.31Å; D140-K281 WeakPolarHBondContact O-CE 3.31Å; D140-K281 PolarHBondContact O-NZ 2.72Å; D140-K281 WeakPolarHBondContact OD1-CB 3.47Å; D140-K281 PolarHBondContact OD1-N 2.98Å |
| 141 | K | 89.7 | Confident | 92.7 | Very high | 116 Ų | 116 | 35.6 Ų | 35.6 | 50% | 0.504 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.2 | 170.3 | -59.6 | 175.2 | -174.8 | 172.7 | 0 | 108.3 | I137 Y138 L139 N152 | I137-K141 WeakPolarHBondContact CA-O 3.25Å; Y138-K141 PolarHBondContact N-O 2.93Å; Y138-K141 WeakPolarHBondContact O-CA 3.33Å; Y138-K141 WeakPolarHBondContact O-CB 3.34Å; Y138-K141 PolarHBondContact O-N 3.15Å; Y138-K141 VanDerWaalsContact O-O 3.12Å; L139-K141 PolarHBondContact O-N 3.42Å; L139-K141 VanDerWaalsContact O-N 3.07Å; K141-N152 HydrophobicContact CB-CB 4.3Å; K141-N152 HydrophobicContact CG-CB 4.37Å |
| 142 | I | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 132.1 | 173.2 | -58.6 | 162.6 | 0 | 0 | 0 | 107.4 | F135 E136 I137 N152 L153 V155 V165 K281 I285 | F135-I142 HydrophobicContact CB-CG2 4.19Å; F135-I142 HydrophobicContact CD2-CG2 3.67Å; F135-I142 HydrophobicContact CE2-CG2 4.37Å; F135-I142 HydrophobicContact CG-CG2 4.17Å; E136-I142 CarbonylContact O-C 3.58Å; E136-I142 WeakPolarHBondContact O-CA 3.25Å; I137-I142 HydrophobicContact CD1-CG1 4.48Å; I137-I142 HydrophobicContact CG1-CG1 4.2Å; I142-N152 CarbonylContact O-C 3.6Å; I142-N152 WeakPolarHBondContact O-CA 3.41Å; I142-N152 PolarHBondContact O-N 3.34Å; I142-L153 HydrophobicContact CB-CB 4Å; I142-L153 HydrophobicContact CG2-CB 4.04Å; I142-L153 PolarHBondContact O-N 2.9Å; I142-V155 HydrophobicContact CD1-CG2 3.56Å; I142-V165 HydrophobicContact CD1-CG1 4.11Å; I142-V165 HydrophobicContact CD1-CG2 4.13Å; I142-V165 HydrophobicContact CG2-CG1 3.94Å; I142-K281 HydrophobicContact CD1-CB 4.21Å; I142-K281 HydrophobicContact CD1-CD 3.76Å; I142-K281 HydrophobicContact CG1-CB 4.4Å; I142-K281 HydrophobicContact CG1-CD 3.88Å; I142-I285 HydrophobicContact CD1-CD1 3.82Å; I142-I285 HydrophobicContact CG1-CD1 4.47Å |
| 143 | R | 93.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 14% | 0.143 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.3 | 174.5 | 173 | 175.2 | 173.9 | -122.3 | 0.2 | 108.9 | F135 E136 T151 N189 | F135-R143 CarbonylContact C-O 3.57Å; F135-R143 VanDerWaalsContact CA-O 3.28Å; F135-R143 WeakPolarHBondContact CA-O 3.35Å; F135-R143 VanDerWaalsContact CB-O 3.28Å; F135-R143 WeakPolarHBondContact CB-O 3.43Å; E136-R143 HydrophobicContact CG-CB 4.05Å; E136-R143 PolarHBondContact N-O 3.3Å; E136-R143 PolarHBondContact O-N 2.81Å; E136-R143 IonicContact OE1-CZ 3.42Å; E136-R143 IonicContact OE1-NH1 3.46Å; E136-R143 PolarHBondContact OE1-NH1 3.31Å; R143-T151 HydrophobicContact CG-CG2 4.38Å; R143-N189 PolarHBondContact NH1-O 3.42Å; R143-N189 PolarHBondContact NH2-O 2.89Å |
| 144 | D | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132.2 | 172.5 | -159.4 | -38.9 | 0 | 0 | 0 | 109.4 | L146 D147 K150 L153 C168 T169 | D144-L146 WeakPolarHBondContact OD1-CA 3.44Å; D144-L146 PolarHBondContact OD1-N 2.65Å; D144-D147 PolarHBondContact OD1-N 2.92Å; D144-K150 HydrophobicContact CB-CB 3.68Å; D144-K150 HydrophobicContact CB-CD 4.2Å; D144-K150 PolarHBondContact N-O 2.99Å; D144-K150 VanDerWaalsContact N-O 3.1Å; D144-K150 WeakPolarHBondContact OD2-CD 3.29Å; D144-K150 IonicContact OD2-NZ 2.76Å; D144-L153 HydrophobicContact CB-CD1 4.19Å; D144-C168 WeakPolarHBondContact OD2-CA 3.5Å; D144-T169 VanDerWaalsContact OD2-CB 3.3Å; D144-T169 WeakPolarHBondContact OD2-CB 3.4Å; D144-T169 PolarHBondContact OD2-N 3.49Å; D144-T169 PolarHBondContact OD2-OG1 3.5Å |
| 145 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -93.5 | -10.6 | 176.7 | -67.4 | 178.3 | 0 | 0 | 0 | 112 | Y134 E136 N189 R190 | Y134-L145 HydrophobicContact CD1-CB 4.37Å; Y134-L145 HydrophobicContact CD1-CD1 4.1Å; Y134-L145 HydrophobicContact CD2-CD1 3.78Å; Y134-L145 HydrophobicContact CE1-CD1 4.07Å; Y134-L145 HydrophobicContact CE2-CD1 3.73Å; Y134-L145 HydrophobicContact CG-CB 4.21Å; Y134-L145 HydrophobicContact CG-CD1 3.96Å; Y134-L145 WeakPolarHBondContact O-CB 3.22Å; Y134-L145 PolarHBondContact O-N 3Å; E136-L145 HydrophobicContact CB-CD1 4.21Å; E136-L145 HydrophobicContact CB-CD2 4.42Å; E136-L145 HydrophobicContact CB-CG 4.38Å; E136-L145 HydrophobicContact CG-CD2 3.96Å; E136-L145 HydrophobicContact CG-CG 4.35Å; L145-N189 VanDerWaalsContact O-CB 3.3Å; L145-N189 WeakPolarHBondContact O-CB 3.43Å; L145-N189 PolarHBondContact O-ND2 2.94Å; L145-R190 HydrophobicContact CD2-CB 3.99Å; L145-R190 HydrophobicContact CD2-CG 4.33Å |
| 146 | L | 95.7 | Very high | 91.9 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -99.5 | -6.8 | 175.9 | -50.4 | -174.8 | 0 | 0 | 0 | 112.7 | D144 T169 R171 T182 | D144-L146 WeakPolarHBondContact OD1-CA 3.44Å; D144-L146 PolarHBondContact OD1-N 2.65Å; L146-T169 HydrophobicContact CB-CG2 4.12Å; L146-R171 HydrophobicContact CD1-CB 4.45Å; L146-T182 HydrophobicContact CD1-CG2 3.7Å; L146-T182 HydrophobicContact CD2-CG2 3.56Å; L146-T182 WeakPolarHBondContact CD2-O 3.43Å; L146-T182 HydrophobicContact CG-CG2 4.29Å |
| 147 | D | 93.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | trans | -151 | 96 | 169.1 | 176.2 | -5.3 | 0 | 0 | 0 | 109.7 | D144 S149 K150 | D144-D147 PolarHBondContact OD1-N 2.92Å; D147-S149 PolarHBondContact O-N 2.72Å; D147-S149 VanDerWaalsContact OD1-CB 3.27Å; D147-S149 WeakPolarHBondContact OD1-CB 3.47Å; D147-S149 PolarHBondContact OD1-N 2.88Å; D147-S149 PolarHBondContact OD1-OG 2.87Å; D147-S149 PolarHBondContact OD2-OG 2.92Å; D147-K150 HydrophobicContact CB-CD 3.94Å; D147-K150 HydrophobicContact CB-CG 4.25Å; D147-K150 WeakPolarHBondContact O-CB 3.46Å; D147-K150 PolarHBondContact O-N 3.37Å; D147-K150 WeakPolarHBondContact OD2-CE 3.45Å; D147-K150 IonicContact OD2-NZ 2.66Å | ||
| 148 | V | 88.3 | Confident | 91.2 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 40% | 0.4 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.8 | -175.9 | -63.2 | 0 | 0 | 0 | 0 | 114.8 | K150 N189 | V148-K150 VanDerWaalsContact C-N 3.31Å; V148-N189 HydrophobicContact CG1-CB 3.53Å; V148-N189 VanDerWaalsContact CG1-CG 3.47Å |
| 149 | S | 88.9 | Confident | 90.8 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -26.3 | 173.1 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | D147 T151 | D147-S149 PolarHBondContact O-N 2.72Å; D147-S149 VanDerWaalsContact OD1-CB 3.27Å; D147-S149 WeakPolarHBondContact OD1-CB 3.47Å; D147-S149 PolarHBondContact OD1-N 2.88Å; D147-S149 PolarHBondContact OD1-OG 2.87Å; D147-S149 PolarHBondContact OD2-OG 2.92Å; S149-T151 PolarHBondContact O-N 3.24Å |
| 150 | K | 92.2 | Very high | 90.5 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | trans | -83.5 | 76.3 | -177.2 | -67.7 | 176.4 | -176.6 | 173.2 | 0 | 112 | D144 D147 V148 L153 G167 T169 | D144-K150 HydrophobicContact CB-CB 3.68Å; D144-K150 HydrophobicContact CB-CD 4.2Å; D144-K150 PolarHBondContact N-O 2.99Å; D144-K150 VanDerWaalsContact N-O 3.1Å; D144-K150 WeakPolarHBondContact OD2-CD 3.29Å; D144-K150 IonicContact OD2-NZ 2.76Å; D147-K150 HydrophobicContact CB-CD 3.94Å; D147-K150 HydrophobicContact CB-CG 4.25Å; D147-K150 WeakPolarHBondContact O-CB 3.46Å; D147-K150 PolarHBondContact O-N 3.37Å; D147-K150 WeakPolarHBondContact OD2-CE 3.45Å; D147-K150 IonicContact OD2-NZ 2.66Å; V148-K150 VanDerWaalsContact C-N 3.31Å; K150-L153 HydrophobicContact CB-CD1 4.36Å; K150-L153 HydrophobicContact CB-CD2 4.15Å; K150-L153 HydrophobicContact CB-CG 4.42Å; K150-G167 VanDerWaalsContact CD-O 3.32Å; K150-G167 WeakPolarHBondContact CD-O 3.33Å; K150-G167 WeakPolarHBondContact CE-O 3.35Å; K150-G167 PolarHBondContact NZ-O 3.29Å; K150-T169 PolarHBondContact NZ-OG1 2.92Å | ||
| 151 | T | 91.7 | Very high | 90.1 | Very high | 93 Ų | 93 | 68.4 Ų | 68.4 | 57% | 0.571 | 34% | 0.343 | S | S | * | . | trans | -94.3 | 152.2 | 175.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | R143 S149 L153 | R143-T151 HydrophobicContact CG-CG2 4.38Å; S149-T151 PolarHBondContact O-N 3.24Å; T151-L153 PolarHBondContact O-N 3.36Å | ||
| 152 | N | 91.9 | Very high | 89.7 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 51.6 | 47.6 | 179.9 | -167.4 | 27.5 | 0 | 0 | 0 | 115.3 | K141 I142 K281 | K141-N152 HydrophobicContact CB-CB 4.3Å; K141-N152 HydrophobicContact CG-CB 4.37Å; I142-N152 CarbonylContact O-C 3.6Å; I142-N152 WeakPolarHBondContact O-CA 3.41Å; I142-N152 PolarHBondContact O-N 3.34Å; N152-K281 PolarHBondContact OD1-NZ 3.35Å |
| 153 | L | 95.4 | Very high | 89.4 | Confident | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -60.5 | 161.7 | 174.6 | -61.9 | -179.6 | 0 | 0 | 0 | 112.6 | I142 D144 K150 T151 V165 C168 K281 | I142-L153 HydrophobicContact CB-CB 4Å; I142-L153 HydrophobicContact CG2-CB 4.04Å; I142-L153 PolarHBondContact O-N 2.9Å; D144-L153 HydrophobicContact CB-CD1 4.19Å; K150-L153 HydrophobicContact CB-CD1 4.36Å; K150-L153 HydrophobicContact CB-CD2 4.15Å; K150-L153 HydrophobicContact CB-CG 4.42Å; T151-L153 PolarHBondContact O-N 3.36Å; L153-V165 HydrophobicContact CB-CG1 3.65Å; L153-V165 HydrophobicContact CD1-CG1 3.85Å; L153-V165 HydrophobicContact CG-CG1 4.42Å; L153-C168 HydrophobicContact CD1-CB 4.03Å; L153-K281 PolarHBondContact O-NZ 2.84Å |
| 154 | S | 93.9 | Very high | 89.3 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 37% | 0.371 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.8 | -168 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | H156 K166 | S154-H156 PolarHBondContact O-N 2.98Å; S154-H156 PolarHBondContact O-ND1 3.47Å; S154-H156 PolarHBondContact OG-CE1 3.21Å; S154-H156 VanDerWaalsContact OG-CE1 3.31Å; S154-K166 PolarHBondContact O-N 2.88Å |
| 155 | V | 94.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 69.1 Ų | 69.1 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117.2 | 179 | -169.7 | 0 | 0 | 0 | 0 | 110 | I142 P163 Y164 K281 R284 I285 | I142-V155 HydrophobicContact CD1-CG2 3.56Å; V155-P163 HydrophobicContact CG1-CB 4.18Å; V155-Y164 WeakPolarHBondContact CA-O 3.4Å; V155-K281 HydrophobicContact CG2-CB 3.97Å; V155-K281 HydrophobicContact CG2-CD 4.45Å; V155-K281 HydrophobicContact CG2-CG 4.25Å; V155-R284 HydrophobicContact CG1-CB 4.03Å; V155-R284 PolarHBondContact O-NH1 3.42Å; V155-R284 PolarHBondContact O-NH2 2.9Å; V155-I285 HydrophobicContact CG1-CG1 4.05Å; V155-I285 HydrophobicContact CG2-CD1 3.89Å; V155-I285 HydrophobicContact CG2-CG1 3.7Å |
| 156 | H | 92.2 | Very high | 89.1 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 166.4 | 173.2 | -75.1 | 61.2 | 0 | 0 | 0 | 109.9 | S154 P163 Y164 K166 | S154-H156 PolarHBondContact O-N 2.98Å; S154-H156 PolarHBondContact O-ND1 3.47Å; S154-H156 PolarHBondContact OG-CE1 3.21Å; S154-H156 VanDerWaalsContact OG-CE1 3.31Å; H156-P163 CarbonylContact O-C 3.59Å; H156-P163 WeakPolarHBondContact O-CA 3.15Å; H156-Y164 HydrophobicContact CB-CD1 4.16Å; H156-Y164 HydrophobicContact CB-CE1 3.57Å; H156-Y164 HydrophobicContact CB-CE2 4.27Å; H156-Y164 PolarHBondContact N-O 3Å; H156-Y164 PolarHBondContact O-N 3.23Å; H156-K166 HydrophobicContact CB-CB 4.41Å; H156-K166 WeakPolarHBondContact CE1-CD 3.45Å; H156-K166 WeakPolarHBondContact ND1-CB 3.43Å; H156-K166 VanDerWaalsContact NE2-CD 3.31Å; H156-K166 WeakPolarHBondContact NE2-CD 3.47Å; H156-K166 PolarHBondContact NE2-NZ 2.85Å |
| 157 | E | 88.3 | Confident | 89 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.6 | 174.5 | -72.4 | 155.2 | -145.6 | 0 | 0 | 106.9 | R278 R284 | E157-R278 VanDerWaalsContact CD-NH2 3.33Å; E157-R278 IonicContact OE1-CZ 2.63Å; E157-R278 IonicContact OE1-NE 2.64Å; E157-R278 IonicContact OE1-NH2 3.83Å; E157-R278 PolarHBondContact OE1-NH2 3.35Å; E157-R278 IonicContact OE2-NH2 3.72Å; E157-R278 PolarHBondContact OE2-NH2 3.11Å; E157-R284 IonicContact OE1-CZ 2.63Å; E157-R284 IonicContact OE1-NE 2.68Å; E157-R284 IonicContact OE1-NH2 2.82Å; E157-R284 PolarHBondContact OE1-NH2 3.46Å |
| 158 | D | 83.1 | Confident | 89.1 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 34% | 0.337 | 39% | 0.386 | S | S | . | . | trans | -83.9 | -172.2 | -179.1 | 84.1 | -7.5 | 0 | 0 | 0 | 112.9 | N160 R161 V162 Y164 | D158-N160 PolarHBondContact O-N 2.93Å; D158-N160 VanDerWaalsContact OD1-C 3.31Å; D158-N160 VanDerWaalsContact OD1-CA 3.29Å; D158-N160 WeakPolarHBondContact OD1-CA 3.42Å; D158-N160 WeakPolarHBondContact OD1-CB 3.38Å; D158-N160 PolarHBondContact OD1-N 2.86Å; D158-R161 PolarHBondContact O-N 3.34Å; D158-R161 PolarHBondContact OD1-N 3.46Å; D158-V162 PolarHBondContact N-O 2.78Å; D158-V162 PolarHBondContact OD1-N 2.7Å; D158-Y164 HydrophobicContact CB-CD1 4.21Å; D158-Y164 HydrophobicContact CB-CE1 4.15Å | ||
| 159 | K | 79.5 | Confident | 89.5 | Confident | 211 Ų | 211 | 72.5 Ų | 72.5 | 92% | 0.917 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.6 | 178.6 | -66.2 | -176.5 | -179.3 | 178.5 | 0 | 113.4 | ||
| 160 | N | 75.6 | Confident | 89.8 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 5.7 | 179.3 | -59.5 | -21.6 | 0 | 0 | 0 | 111.9 | D158 V162 | D158-N160 PolarHBondContact O-N 2.93Å; D158-N160 VanDerWaalsContact OD1-C 3.31Å; D158-N160 VanDerWaalsContact OD1-CA 3.29Å; D158-N160 WeakPolarHBondContact OD1-CA 3.42Å; D158-N160 WeakPolarHBondContact OD1-CB 3.38Å; D158-N160 PolarHBondContact OD1-N 2.86Å; N160-V162 VanDerWaalsContact C-N 3.27Å; N160-V162 HydrophobicContact CB-CG2 4.16Å; N160-V162 PolarHBondContact O-N 2.63Å |
| 161 | R | 79 | Confident | 90 | Very high | 198 Ų | 198 | 73.6 Ų | 73.6 | 75% | 0.747 | 37% | 0.368 | S | S | * | . | trans | 66.4 | 16.7 | -172 | -51.7 | -176.5 | 177.8 | -167.8 | 0.1 | 115.3 | D158 | D158-R161 PolarHBondContact O-N 3.34Å; D158-R161 PolarHBondContact OD1-N 3.46Å | ||
| 162 | V | 81.9 | Confident | 90.3 | Very high | 42 Ų | 42 | 74.7 Ų | 74.7 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | trans | -71.9 | 129.5 | 173.7 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | D158 N160 | D158-V162 PolarHBondContact N-O 2.78Å; D158-V162 PolarHBondContact OD1-N 2.7Å; N160-V162 VanDerWaalsContact C-N 3.27Å; N160-V162 HydrophobicContact CB-CG2 4.16Å; N160-V162 PolarHBondContact O-N 2.63Å | ||
| 163 | P | 87.5 | Confident | 90.5 | Very high | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143 | -178.9 | 31.2 | -37 | 0 | 0 | 0 | 112.1 | V155 H156 R284 Q287 | V155-P163 HydrophobicContact CG1-CB 4.18Å; H156-P163 CarbonylContact O-C 3.59Å; H156-P163 WeakPolarHBondContact O-CA 3.15Å; P163-R284 WeakPolarHBondContact CB-O 3.37Å; P163-R284 WeakPolarHBondContact CG-O 3.49Å; P163-Q287 HydrophobicContact CG-CB 4.41Å |
| 164 | Y | 90.8 | Very high | 90.5 | Very high | 102 Ų | 102 | 74.4 Ų | 74.4 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 154.8 | 174.2 | 73.7 | -79.8 | 0 | 0 | 0 | 112.7 | V155 H156 D158 K166 | V155-Y164 WeakPolarHBondContact CA-O 3.4Å; H156-Y164 HydrophobicContact CB-CD1 4.16Å; H156-Y164 HydrophobicContact CB-CE1 3.57Å; H156-Y164 HydrophobicContact CB-CE2 4.27Å; H156-Y164 PolarHBondContact N-O 3Å; H156-Y164 PolarHBondContact O-N 3.23Å; D158-Y164 HydrophobicContact CB-CD1 4.21Å; D158-Y164 HydrophobicContact CB-CE1 4.15Å; Y164-K166 HydrophobicContact CE2-CB 4.06Å; Y164-K166 HydrophobicContact CE2-CG 4.44Å; Y164-K166 PolarHBondContact O-N 3.19Å |
| 165 | V | 94.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 73 Ų | 73 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 104.6 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | F135 I142 L153 G167 C168 I285 | F135-V165 HydrophobicContact CE1-CG2 4.29Å; F135-V165 HydrophobicContact CE2-CG2 4.07Å; F135-V165 HydrophobicContact CZ-CG2 3.84Å; I142-V165 HydrophobicContact CD1-CG1 4.11Å; I142-V165 HydrophobicContact CD1-CG2 4.13Å; I142-V165 HydrophobicContact CG2-CG1 3.94Å; L153-V165 HydrophobicContact CB-CG1 3.65Å; L153-V165 HydrophobicContact CD1-CG1 3.85Å; L153-V165 HydrophobicContact CG-CG1 4.42Å; V165-G167 PolarHBondContact O-N 3.19Å; V165-C168 HydrophobicContact CB-CB 3.94Å; V165-C168 HydrophobicContact CG1-CB 3.83Å; V165-C168 PolarHBondContact O-N 3.28Å; V165-I285 HydrophobicContact CG2-CD1 3.69Å; V165-I285 HydrophobicContact CG2-CG1 4.06Å |
| 166 | K | 93.6 | Very high | 90.5 | Very high | 106 Ų | 106 | 73.6 Ų | 73.6 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122.8 | -177 | -175.5 | 179.7 | -177.4 | 179.7 | 0 | 111 | S154 H156 Y164 | S154-K166 PolarHBondContact O-N 2.88Å; H156-K166 HydrophobicContact CB-CB 4.41Å; H156-K166 WeakPolarHBondContact CE1-CD 3.45Å; H156-K166 WeakPolarHBondContact ND1-CB 3.43Å; H156-K166 VanDerWaalsContact NE2-CD 3.31Å; H156-K166 WeakPolarHBondContact NE2-CD 3.47Å; H156-K166 PolarHBondContact NE2-NZ 2.85Å; Y164-K166 HydrophobicContact CE2-CB 4.06Å; Y164-K166 HydrophobicContact CE2-CG 4.44Å; Y164-K166 PolarHBondContact O-N 3.19Å |
| 167 | G | 92.1 | Very high | 90.6 | Very high | 47 Ų | 47 | 76.4 Ų | 76.4 | 49% | 0.485 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -5.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K150 V165 | K150-G167 VanDerWaalsContact CD-O 3.32Å; K150-G167 WeakPolarHBondContact CD-O 3.33Å; K150-G167 WeakPolarHBondContact CE-O 3.35Å; K150-G167 PolarHBondContact NZ-O 3.29Å; V165-G167 PolarHBondContact O-N 3.19Å |
| 168 | C | 95.8 | Very high | 91 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | trans | -58.9 | 147 | 173.1 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | D144 L153 V165 E170 | D144-C168 WeakPolarHBondContact OD2-CA 3.5Å; L153-C168 HydrophobicContact CD1-CB 4.03Å; V165-C168 HydrophobicContact CB-CB 3.94Å; V165-C168 HydrophobicContact CG1-CB 3.83Å; V165-C168 PolarHBondContact O-N 3.28Å; C168-E170 PolarHBondContact O-N 2.88Å | ||
| 169 | T | 97.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 73.6 Ų | 73.6 | 17% | 0.172 | 36% | 0.363 | C | S | . | . | trans | -76.7 | 119.6 | -178.4 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | S133 D144 L146 K150 | S133-T169 WeakPolarHBondContact CA-O 3.29Å; S133-T169 VanDerWaalsContact CB-O 3.29Å; S133-T169 WeakPolarHBondContact CB-O 3.35Å; S133-T169 PolarHBondContact OG-O 2.93Å; D144-T169 VanDerWaalsContact OD2-CB 3.3Å; D144-T169 WeakPolarHBondContact OD2-CB 3.4Å; D144-T169 PolarHBondContact OD2-N 3.49Å; D144-T169 PolarHBondContact OD2-OG1 3.5Å; L146-T169 HydrophobicContact CB-CG2 4.12Å; K150-T169 PolarHBondContact NZ-OG1 2.92Å | ||
| 170 | E | 96.1 | Very high | 92.2 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | trans | -98.7 | 114.3 | 164.3 | -66.8 | -177.8 | 169.4 | 0 | 0 | 107.9 | K131 C168 | K131-E170 HydrophobicContact CD-CB 4.23Å; K131-E170 WeakPolarHBondContact CD-OE2 3.47Å; K131-E170 WeakPolarHBondContact CE-OE2 3.17Å; K131-E170 IonicContact NZ-OE2 2.72Å; K131-E170 PolarHBondContact NZ-OE2 2.87Å; C168-E170 PolarHBondContact O-N 2.88Å | ||
| 171 | R | 96.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 26% | 0.26 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.4 | 174.7 | -175.7 | 180 | -67.9 | -179.6 | -3.3 | 108.7 | K131 V132 L146 T182 E185 | K131-R171 CarbonylContact C-O 3.54Å; K131-R171 VanDerWaalsContact CA-O 3.31Å; K131-R171 WeakPolarHBondContact CA-O 3.48Å; V132-R171 HydrophobicContact CG2-CB 4.21Å; V132-R171 PolarHBondContact N-O 3.48Å; V132-R171 PolarHBondContact O-N 2.91Å; L146-R171 HydrophobicContact CD1-CB 4.45Å; R171-T182 WeakPolarHBondContact CD-OG1 3.47Å; R171-T182 PolarHBondContact NH1-OG1 3.12Å; R171-E185 IonicContact CZ-OE2 3.66Å; R171-E185 IonicContact NH1-OE2 2.65Å; R171-E185 PolarHBondContact NH1-OE2 2.9Å; R171-E185 IonicContact NH2-OE1 2.63Å; R171-E185 PolarHBondContact NH2-OE1 3.23Å; R171-E185 IonicContact NH2-OE2 3.03Å; R171-E185 PolarHBondContact NH2-OE2 2.93Å |
| 172 | F | 97.2 | Very high | 93.9 | Very high | 116 Ų | 116 | 54.2 Ų | 54.2 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 144.8 | 168 | -72 | -84.9 | 0 | 0 | 0 | 109.7 | I130 K131 | I130-F172 WeakPolarHBondContact O-CA 3.31Å; K131-F172 HydrophobicContact CD-CE1 4.16Å; K131-F172 HydrophobicContact CD-CZ 4.34Å; K131-F172 HydrophobicContact CG-CD1 3.74Å; K131-F172 HydrophobicContact CG-CE1 3.78Å; K131-F172 HydrophobicContact CG-CG 4.26Å; K131-F172 HydrophobicContact CG-CZ 4.34Å |
| 173 | V | 96.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | trans | -139.4 | 133.5 | -177.7 | -71.5 | 0 | 0 | 0 | 0 | 110.3 | I130 V132 E178 V179 | I130-V173 HydrophobicContact CB-CG2 3.9Å; I130-V173 HydrophobicContact CG2-CG2 3.58Å; I130-V173 PolarHBondContact O-N 2.72Å; V132-V173 HydrophobicContact CG1-CG2 3.99Å; V132-V173 HydrophobicContact CG2-CG1 3.71Å; V132-V173 HydrophobicContact CG2-CG2 4.34Å; V173-E178 WeakPolarHBondContact CA-OE2 3.29Å; V173-E178 HydrophobicContact CB-CB 4.25Å; V173-E178 HydrophobicContact CG1-CB 4.09Å; V173-V179 HydrophobicContact CB-CG2 3.9Å; V173-V179 HydrophobicContact CG1-CG2 4.14Å; V173-V179 HydrophobicContact CG2-CG2 3.77Å | ||
| 174 | C | 94.6 | Very high | 94.7 | Very high | 99 Ų | 99 | 54.6 Ų | 54.6 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | trans | -112.6 | -9.5 | -173.5 | -64.9 | 0 | 0 | 0 | 0 | 114 | F116 E178 | F116-C174 VanDerWaalsContact CE1-C 3.48Å; F116-C174 WeakPolarHBondContact CE1-O 3.36Å; C174-E178 WeakPolarHBondContact CB-OE1 3.46Å; C174-E178 PolarHBondContact N-OE1 2.86Å; C174-E178 PolarHBondContact N-OE2 3.42Å | ||
| 175 | S | 94.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 53 Ų | 53 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -143.5 | 156.8 | -178.3 | 59.8 | 0 | 0 | 0 | 0 | 112 | F116 E177 E178 | F116-S175 WeakPolarHBondContact CE2-O 3.49Å; F116-S175 WeakPolarHBondContact CZ-O 3.48Å; S175-E177 WeakPolarHBondContact CB-OE2 3.46Å; S175-E177 PolarHBondContact O-N 2.8Å; S175-E178 WeakPolarHBondContact CB-OE1 3.4Å; S175-E178 PolarHBondContact N-OE1 2.74Å; S175-E178 PolarHBondContact O-N 2.86Å; S175-E178 VanDerWaalsContact OG-CD 3.24Å; S175-E178 VanDerWaalsContact OG-CG 3.25Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 2.63Å; S175-E178 PolarHBondContact OG-OE1 3.47Å |
| 176 | P | 94.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -53.1 | -40.6 | 170.4 | -26.1 | 33.1 | 0 | 0 | 0 | 113 | V112 F116 V179 M180 | V112-P176 HydrophobicContact CG1-CB 4Å; F116-P176 HydrophobicContact CB-CG 3.82Å; F116-P176 HydrophobicContact CD2-CB 4.2Å; F116-P176 HydrophobicContact CD2-CG 3.65Å; F116-P176 HydrophobicContact CE2-CG 4.38Å; F116-P176 HydrophobicContact CG-CG 3.8Å; P176-V179 WeakPolarHBondContact O-CB 3.27Å; P176-V179 PolarHBondContact O-N 3.43Å; P176-V179 VanDerWaalsContact O-N 3.09Å; P176-M180 WeakPolarHBondContact O-CG 3.38Å; P176-M180 PolarHBondContact O-N 2.9Å; P176-M180 VanDerWaalsContact O-N 3.08Å |
| 177 | E | 93.5 | Very high | 94.5 | Very high | 120 Ų | 120 | 49.2 Ų | 49.2 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.4 | -47.7 | -177.5 | -67.8 | 71 | -160.5 | 0 | 0 | 111.5 | S175 V179 M180 D181 | S175-E177 WeakPolarHBondContact CB-OE2 3.46Å; S175-E177 PolarHBondContact O-N 2.8Å; E177-V179 PolarHBondContact O-N 2.82Å; E177-V179 VanDerWaalsContact O-N 3.16Å; E177-M180 PolarHBondContact O-N 3.16Å; E177-D181 PolarHBondContact O-N 3.47Å |
| 178 | E | 96.1 | Very high | 94.2 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.7 | -29.6 | 175.1 | -74.9 | 161 | -113.5 | 0 | 0 | 113 | V173 C174 S175 T182 | V173-E178 WeakPolarHBondContact CA-OE2 3.29Å; V173-E178 HydrophobicContact CB-CB 4.25Å; V173-E178 HydrophobicContact CG1-CB 4.09Å; C174-E178 WeakPolarHBondContact CB-OE1 3.46Å; C174-E178 PolarHBondContact N-OE1 2.86Å; C174-E178 PolarHBondContact N-OE2 3.42Å; S175-E178 WeakPolarHBondContact CB-OE1 3.4Å; S175-E178 PolarHBondContact N-OE1 2.74Å; S175-E178 PolarHBondContact O-N 2.86Å; S175-E178 VanDerWaalsContact OG-CD 3.24Å; S175-E178 VanDerWaalsContact OG-CG 3.25Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 2.63Å; S175-E178 PolarHBondContact OG-OE1 3.47Å; E178-T182 VanDerWaalsContact O-CB 3.26Å; E178-T182 WeakPolarHBondContact O-CB 3.27Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 VanDerWaalsContact O-N 3.09Å; E178-T182 PolarHBondContact O-OG1 3.46Å |
| 179 | V | 95.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76.5 | -41.2 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | V112 F116 V132 V173 P176 E177 T182 I183 F208 | V112-V179 HydrophobicContact CG1-CB 3.88Å; V112-V179 HydrophobicContact CG1-CG1 4.25Å; V112-V179 HydrophobicContact CG1-CG2 4.03Å; V112-V179 HydrophobicContact CG2-CB 4.15Å; V112-V179 HydrophobicContact CG2-CG1 3.59Å; F116-V179 HydrophobicContact CE2-CG2 3.92Å; F116-V179 HydrophobicContact CZ-CG2 4.49Å; V132-V179 HydrophobicContact CG1-CG1 4.28Å; V173-V179 HydrophobicContact CB-CG2 3.9Å; V173-V179 HydrophobicContact CG1-CG2 4.14Å; V173-V179 HydrophobicContact CG2-CG2 3.77Å; P176-V179 WeakPolarHBondContact O-CB 3.27Å; P176-V179 PolarHBondContact O-N 3.43Å; P176-V179 VanDerWaalsContact O-N 3.09Å; E177-V179 PolarHBondContact O-N 2.82Å; E177-V179 VanDerWaalsContact O-N 3.16Å; V179-T182 PolarHBondContact O-N 2.85Å; V179-I183 HydrophobicContact CG1-CD1 4.18Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.37Å; V179-F208 HydrophobicContact CG1-CE1 3.98Å; V179-F208 HydrophobicContact CG1-CZ 3.69Å |
| 180 | M | 93.4 | Very high | 93.2 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.7 | -53.3 | -51.7 | 173.6 | 0 | 0 | 110.9 | P109 V112 P176 E177 T182 I183 D184 | P109-M180 HydrophobicContact CB-CE 3.84Å; P109-M180 HydrophobicContact CB-SD 4.2Å; P109-M180 HydrophobicContact CG-SD 4.46Å; V112-M180 HydrophobicContact CB-CE 4.23Å; V112-M180 HydrophobicContact CG1-CE 4.08Å; P176-M180 WeakPolarHBondContact O-CG 3.38Å; P176-M180 PolarHBondContact O-N 2.9Å; P176-M180 VanDerWaalsContact O-N 3.08Å; E177-M180 PolarHBondContact O-N 3.16Å; M180-T182 VanDerWaalsContact C-N 3.27Å; M180-T182 PolarHBondContact O-N 3.31Å; M180-I183 WeakPolarHBondContact O-CB 3.41Å; M180-I183 PolarHBondContact O-N 3.27Å; M180-D184 PolarHBondContact O-N 3.23Å |
| 181 | D | 94.4 | Very high | 91.6 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -56.7 | -41.7 | 174.3 | -79.1 | -13.2 | 0 | 0 | 0 | 111.5 | E177 I183 D184 E185 | E177-D181 PolarHBondContact O-N 3.47Å; D181-I183 VanDerWaalsContact C-N 3.34Å; D181-I183 PolarHBondContact O-N 2.89Å; D181-D184 PolarHBondContact O-N 3.21Å; D181-E185 VanDerWaalsContact O-CB 3.27Å; D181-E185 WeakPolarHBondContact O-CB 3.3Å; D181-E185 PolarHBondContact O-N 3.13Å |
| 182 | T | 96.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.1 | -30.8 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | V132 L146 R171 E178 V179 M180 G186 | V132-T182 HydrophobicContact CG2-CG2 3.85Å; L146-T182 HydrophobicContact CD1-CG2 3.7Å; L146-T182 HydrophobicContact CD2-CG2 3.56Å; L146-T182 WeakPolarHBondContact CD2-O 3.43Å; L146-T182 HydrophobicContact CG-CG2 4.29Å; R171-T182 WeakPolarHBondContact CD-OG1 3.47Å; R171-T182 PolarHBondContact NH1-OG1 3.12Å; E178-T182 VanDerWaalsContact O-CB 3.26Å; E178-T182 WeakPolarHBondContact O-CB 3.27Å; E178-T182 PolarHBondContact O-N 3.41Å; E178-T182 VanDerWaalsContact O-N 3.09Å; E178-T182 PolarHBondContact O-OG1 3.46Å; V179-T182 PolarHBondContact O-N 2.85Å; M180-T182 VanDerWaalsContact C-N 3.27Å; M180-T182 PolarHBondContact O-N 3.31Å; T182-G186 PolarHBondContact O-N 2.88Å |
| 183 | I | 93.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.3 | -46 | 172.7 | -69.2 | 163.2 | 0 | 0 | 0 | 110.5 | L99 I108 Y134 V179 M180 D181 G186 K187 F208 | L99-I183 HydrophobicContact CD1-CG2 3.77Å; L99-I183 HydrophobicContact CD2-CG2 4.3Å; I108-I183 HydrophobicContact CG2-CD1 3.66Å; Y134-I183 HydrophobicContact CE1-CG2 4.46Å; V179-I183 HydrophobicContact CG1-CD1 4.18Å; V179-I183 VanDerWaalsContact O-CG1 3.31Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.37Å; M180-I183 WeakPolarHBondContact O-CB 3.41Å; M180-I183 PolarHBondContact O-N 3.27Å; D181-I183 VanDerWaalsContact C-N 3.34Å; D181-I183 PolarHBondContact O-N 2.89Å; I183-G186 PolarHBondContact O-N 3.36Å; I183-K187 HydrophobicContact CG2-CD 3.72Å; I183-K187 HydrophobicContact CG2-CG 4.49Å; I183-K187 VanDerWaalsContact O-CG 3.29Å; I183-K187 WeakPolarHBondContact O-CG 3.44Å; I183-K187 PolarHBondContact O-N 2.86Å; I183-F208 HydrophobicContact CD1-CE1 4.3Å; I183-F208 HydrophobicContact CD1-CE2 4.31Å; I183-F208 HydrophobicContact CD1-CZ 4.04Å; I183-F208 HydrophobicContact CG1-CD2 4.07Å; I183-F208 HydrophobicContact CG1-CE1 4.38Å; I183-F208 HydrophobicContact CG1-CE2 3.52Å; I183-F208 HydrophobicContact CG1-CZ 3.7Å |
| 184 | D | 92.6 | Very high | 85.7 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.8 | -34.1 | -179.6 | -85.3 | -29.3 | 0 | 0 | 0 | 112.8 | L99 H100 M180 D181 K187 S188 | L99-D184 VanDerWaalsContact CD1-OD1 3.25Å; L99-D184 WeakPolarHBondContact CD1-OD1 3.35Å; H100-D184 IonicContact CD2-OD2 2.65Å; H100-D184 IonicContact CE1-OD2 2.74Å; H100-D184 IonicContact NE2-OD2 2.76Å; H100-D184 PolarHBondContact NE2-OD2 2.94Å; M180-D184 PolarHBondContact O-N 3.23Å; D181-D184 PolarHBondContact O-N 3.21Å; D184-K187 PolarHBondContact O-N 3.38Å; D184-K187 IonicContact OD1-NZ 2.72Å; D184-S188 WeakPolarHBondContact O-CB 3.3Å; D184-S188 PolarHBondContact O-N 2.93Å |
| 185 | E | 94 | Very high | 83.3 | Confident | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 166.2 | -177.4 | -170.8 | 153.3 | 0 | 0 | 110.8 | R171 D181 K187 S188 N189 | R171-E185 IonicContact CZ-OE2 3.66Å; R171-E185 IonicContact NH1-OE2 2.65Å; R171-E185 PolarHBondContact NH1-OE2 2.9Å; R171-E185 IonicContact NH2-OE1 2.63Å; R171-E185 PolarHBondContact NH2-OE1 3.23Å; R171-E185 IonicContact NH2-OE2 3.03Å; R171-E185 PolarHBondContact NH2-OE2 2.93Å; D181-E185 VanDerWaalsContact O-CB 3.27Å; D181-E185 WeakPolarHBondContact O-CB 3.3Å; D181-E185 PolarHBondContact O-N 3.13Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 2.77Å; E185-S188 WeakPolarHBondContact O-CB 3.41Å; E185-S188 PolarHBondContact O-N 2.56Å; E185-S188 VanDerWaalsContact O-N 3.15Å; E185-N189 WeakPolarHBondContact O-CB 3.26Å; E185-N189 PolarHBondContact O-N 2.84Å |
| 186 | G | 91.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -37.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | T182 I183 R190 | T182-G186 PolarHBondContact O-N 2.88Å; I183-G186 PolarHBondContact O-N 3.36Å; G186-R190 WeakPolarHBondContact O-CB 3.36Å; G186-R190 PolarHBondContact O-N 3.02Å |
| 187 | K | 87.6 | Confident | 78 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 20% | 0.196 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 174.1 | -71.9 | 162.5 | 66.7 | 164.1 | 0 | 112.1 | E96 L99 Y134 I183 D184 E185 R190 H191 | E96-K187 VanDerWaalsContact OE2-CD 3.31Å; E96-K187 WeakPolarHBondContact OE2-CD 3.45Å; E96-K187 WeakPolarHBondContact OE2-CE 3.22Å; E96-K187 IonicContact OE2-NZ 3.23Å; E96-K187 PolarHBondContact OE2-NZ 3.45Å; L99-K187 HydrophobicContact CD1-CD 4.21Å; L99-K187 VanDerWaalsContact CD1-NZ 3.31Å; Y134-K187 HydrophobicContact CE1-CG 4.46Å; I183-K187 HydrophobicContact CG2-CD 3.72Å; I183-K187 HydrophobicContact CG2-CG 4.49Å; I183-K187 VanDerWaalsContact O-CG 3.29Å; I183-K187 WeakPolarHBondContact O-CG 3.44Å; I183-K187 PolarHBondContact O-N 2.86Å; D184-K187 PolarHBondContact O-N 3.38Å; D184-K187 IonicContact OD1-NZ 2.72Å; E185-K187 VanDerWaalsContact C-N 3.28Å; E185-K187 PolarHBondContact O-N 2.77Å; K187-R190 WeakPolarHBondContact O-CB 3.47Å; K187-R190 PolarHBondContact O-N 3.28Å; K187-H191 PolarHBondContact O-N 3.23Å; K187-H191 PolarHBondContact O-ND1 2.93Å |
| 188 | S | 86.9 | Confident | 75.6 | Confident | 69 Ų | 69 | 62.7 Ų | 62.7 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | D184 E185 R190 H191 V192 | D184-S188 WeakPolarHBondContact O-CB 3.3Å; D184-S188 PolarHBondContact O-N 2.93Å; E185-S188 WeakPolarHBondContact O-CB 3.41Å; E185-S188 PolarHBondContact O-N 2.56Å; E185-S188 VanDerWaalsContact O-N 3.15Å; S188-R190 VanDerWaalsContact C-N 3.26Å; S188-R190 PolarHBondContact O-N 2.97Å; S188-H191 PolarHBondContact O-N 2.87Å; S188-V192 WeakPolarHBondContact O-CG2 3.43Å; S188-V192 PolarHBondContact O-N 3.42Å |
| 189 | N | 87.8 | Confident | 73.7 | Confident | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -30.3 | 175.7 | -77 | -24.2 | 0 | 0 | 0 | 113.3 | R143 L145 V148 E185 | R143-N189 PolarHBondContact NH1-O 3.42Å; R143-N189 PolarHBondContact NH2-O 2.89Å; L145-N189 VanDerWaalsContact O-CB 3.3Å; L145-N189 WeakPolarHBondContact O-CB 3.43Å; L145-N189 PolarHBondContact O-ND2 2.94Å; V148-N189 HydrophobicContact CG1-CB 3.53Å; V148-N189 VanDerWaalsContact CG1-CG 3.47Å; E185-N189 WeakPolarHBondContact O-CB 3.26Å; E185-N189 PolarHBondContact O-N 2.84Å |
| 190 | R | 83.1 | Confident | 71.9 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.8 | -49.2 | 168.7 | -159.8 | 174.6 | -175.2 | -158.4 | -0.9 | 110.8 | E136 L145 G186 K187 S188 V192 A193 V194 S204 S206 | E136-R190 IonicContact OE2-NE 3.43Å; E136-R190 PolarHBondContact OE2-NE 3.12Å; L145-R190 HydrophobicContact CD2-CB 3.99Å; L145-R190 HydrophobicContact CD2-CG 4.33Å; G186-R190 WeakPolarHBondContact O-CB 3.36Å; G186-R190 PolarHBondContact O-N 3.02Å; K187-R190 WeakPolarHBondContact O-CB 3.47Å; K187-R190 PolarHBondContact O-N 3.28Å; S188-R190 VanDerWaalsContact C-N 3.26Å; S188-R190 PolarHBondContact O-N 2.97Å; R190-V192 PolarHBondContact O-N 3.21Å; R190-A193 WeakPolarHBondContact O-CB 3.37Å; R190-A193 PolarHBondContact O-N 3.37Å; R190-V194 WeakPolarHBondContact O-CG2 3.37Å; R190-S204 PolarHBondContact NE-OG 3.38Å; R190-S204 PolarHBondContact NH2-O 2.73Å; R190-S204 PolarHBondContact NH2-OG 3.02Å; R190-S206 PolarHBondContact NH1-OG 3.43Å |
| 191 | H | 62.5 | Low | 70.5 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.625 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.4 | -35.6 | -179.7 | -76.8 | 86.9 | 0 | 0 | 0 | 114.6 | K187 S188 A193 V194 | K187-H191 PolarHBondContact O-N 3.23Å; K187-H191 PolarHBondContact O-ND1 2.93Å; S188-H191 PolarHBondContact O-N 2.87Å; H191-A193 PolarHBondContact O-N 3.16Å; H191-A193 VanDerWaalsContact O-N 3.11Å; H191-V194 WeakPolarHBondContact O-CB 3.49Å; H191-V194 PolarHBondContact O-N 3.12Å |
| 192 | V | 57.5 | Low | 69.4 | Low | 99 Ų | 99 | 63.1 Ų | 63.1 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.6 | -26.6 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | S188 R190 V194 | S188-V192 WeakPolarHBondContact O-CG2 3.43Å; S188-V192 PolarHBondContact O-N 3.42Å; R190-V192 PolarHBondContact O-N 3.21Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V192-V194 PolarHBondContact O-N 3.29Å |
| 193 | A | 55.1 | Low | 68.5 | Low | 48 Ų | 48 | 65 Ų | 65 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -74.9 | -15 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R190 H191 | R190-A193 WeakPolarHBondContact O-CB 3.37Å; R190-A193 PolarHBondContact O-N 3.37Å; H191-A193 PolarHBondContact O-N 3.16Å; H191-A193 VanDerWaalsContact O-N 3.11Å |
| 194 | V | 54.7 | Low | 68.1 | Low | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -93.7 | 0.8 | -165.1 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | R190 H191 V192 N196 M197 N198 H200 | R190-V194 WeakPolarHBondContact O-CG2 3.37Å; H191-V194 WeakPolarHBondContact O-CB 3.49Å; H191-V194 PolarHBondContact O-N 3.12Å; V192-V194 VanDerWaalsContact C-N 3.31Å; V192-V194 PolarHBondContact O-N 3.29Å; V194-N196 CarbonylContact O-C 3.51Å; V194-N196 PolarHBondContact O-N 3.44Å; V194-M197 PolarHBondContact O-N 2.94Å; V194-N198 WeakPolarHBondContact CG1-O 3.36Å; V194-H200 HydrophobicContact CB-CB 4.45Å; V194-H200 HydrophobicContact CG1-CB 3.98Å; V194-H200 HydrophobicContact CG2-CB 3.62Å |
| 195 | T | 44.4 | Very low | 68 | Low | 128 Ų | 128 | 62.5 Ų | 62.5 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.3 | -16.7 | 179.7 | 47.1 | 0 | 0 | 0 | 0 | 114 | ||
| 196 | N | 38.4 | Very low | 68 | Low | 148 Ų | 148 | 59.4 Ų | 59.4 | 79% | 0.791 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 83.1 | 163.6 | -89 | -18.4 | 0 | 0 | 0 | 112.3 | V194 N198 | V194-N196 CarbonylContact O-C 3.51Å; V194-N196 PolarHBondContact O-N 3.44Å; N196-N198 PolarHBondContact O-N 2.98Å |
| 197 | M | 39.4 | Very low | 68.2 | Low | 160 Ų | 160 | 59.4 Ų | 59.4 | 79% | 0.788 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 61.6 | 141.4 | -157 | 179.2 | 86.6 | 0 | 0 | 118.3 | V194 | V194-M197 PolarHBondContact O-N 2.94Š|
| 198 | N | 42.2 | Very low | 68.6 | Low | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -174.6 | 164.4 | 149.5 | -98.7 | -54.5 | 0 | 0 | 0 | 113.1 | V194 N196 H200 R203 | V194-N198 WeakPolarHBondContact CG1-O 3.36Å; N196-N198 PolarHBondContact O-N 2.98Å; N198-H200 VanDerWaalsContact C-N 3.29Å; N198-H200 PolarHBondContact O-N 3.16Å; N198-R203 VanDerWaalsContact CG-CZ 3.48Å; N198-R203 VanDerWaalsContact CG-NH2 3.26Å; N198-R203 PolarHBondContact ND2-NH1 3.36Å; N198-R203 PolarHBondContact OD1-NH2 2.96Å |
| 199 | E | 55.8 | Low | 69.1 | Low | 118 Ų | 118 | 55.1 Ų | 55.1 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | trans | -74.6 | 70.3 | 176.5 | -168.1 | -176.1 | 167.4 | 0 | 0 | 112.1 | S201 S202 | E199-S201 PolarHBondContact O-N 2.9Å; E199-S201 VanDerWaalsContact O-N 3.07Å; E199-S202 WeakPolarHBondContact O-CB 3.18Å; E199-S202 PolarHBondContact O-N 3.08Å; E199-S202 PolarHBondContact O-OG 3.45Å | ||
| 200 | H | 57.8 | Low | 69.5 | Low | 22 Ų | 22 | 53.8 Ų | 53.8 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -59.1 | -24.4 | -166.7 | -167 | -95.5 | 0 | 0 | 0 | 115.8 | E136 Y138 V194 N198 S202 R203 S204 | E136-H200 IonicContact OE1-CE1 2.64Å; E136-H200 IonicContact OE2-CE1 3.88Å; E136-H200 PolarHBondContact OE2-CE1 3.14Å; E136-H200 VanDerWaalsContact OE2-CE1 3.3Å; E136-H200 IonicContact OE2-ND1 3.52Å; Y138-H200 AromaticContact CD1-NE2 3.54Å; Y138-H200 AromaticContact CD2-NE2 3.6Å; Y138-H200 AromaticContact CE1-NE2 3.56Å; Y138-H200 AromaticContact CE2-CD2 3.94Å; Y138-H200 AromaticContact CE2-NE2 3.64Å; Y138-H200 AromaticContact CG-NE2 3.55Å; Y138-H200 AromaticContact CZ-CD2 3.89Å; Y138-H200 AromaticContact CZ-NE2 3.6Å; V194-H200 HydrophobicContact CB-CB 4.45Å; V194-H200 HydrophobicContact CG1-CB 3.98Å; V194-H200 HydrophobicContact CG2-CB 3.62Å; N198-H200 VanDerWaalsContact C-N 3.29Å; N198-H200 PolarHBondContact O-N 3.16Å; H200-S202 PolarHBondContact O-N 3.15Å; H200-R203 PolarHBondContact O-N 3.08Å; H200-S204 PolarHBondContact CE1-OG 2.75Å; H200-S204 PolarHBondContact ND1-OG 3.32Å; H200-S204 PolarHBondContact O-N 2.95Å; H200-S204 VanDerWaalsContact O-N 3.09Å |
| 201 | S | 64.6 | Low | 70.1 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 41% | 0.406 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -59.2 | -31.5 | 175.2 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | E199 R203 | E199-S201 PolarHBondContact O-N 2.9Å; E199-S201 VanDerWaalsContact O-N 3.07Å; S201-R203 PolarHBondContact O-N 2.92Å |
| 202 | S | 70.8 | Confident | 71.7 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -73 | -9.9 | 174.1 | 65.9 | 0 | 0 | 0 | 0 | 114 | T87 E199 H200 A233 G234 | T87-S202 VanDerWaalsContact CG2-CB 3.49Å; T87-S202 VanDerWaalsContact OG1-CB 3.32Å; T87-S202 WeakPolarHBondContact OG1-CB 3.21Å; E199-S202 WeakPolarHBondContact O-CB 3.18Å; E199-S202 PolarHBondContact O-N 3.08Å; E199-S202 PolarHBondContact O-OG 3.45Å; H200-S202 PolarHBondContact O-N 3.15Å; S202-A233 WeakPolarHBondContact O-CB 3.05Å; S202-G234 PolarHBondContact O-N 2.91Å |
| 203 | R | 77.1 | Confident | 73.4 | Confident | 43 Ų | 43 | 45.9 Ų | 45.9 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -17.7 | -161.5 | -65.8 | -159.4 | -167.4 | 161.6 | 8.3 | 116 | Y138 N198 H200 S201 E250 I254 | Y138-R203 HydrophobicContact CE2-CB 4.39Å; N198-R203 VanDerWaalsContact CG-CZ 3.48Å; N198-R203 VanDerWaalsContact CG-NH2 3.26Å; N198-R203 PolarHBondContact ND2-NH1 3.36Å; N198-R203 PolarHBondContact OD1-NH2 2.96Å; H200-R203 PolarHBondContact O-N 3.08Å; S201-R203 PolarHBondContact O-N 2.92Å; R203-E250 WeakPolarHBondContact CD-OE1 3.18Å; R203-E250 IonicContact CZ-OE1 2.64Å; R203-E250 IonicContact NE-OE1 2.74Å; R203-E250 IonicContact NH1-OE1 3.84Å; R203-E250 PolarHBondContact NH1-OE1 2.78Å; R203-E250 IonicContact NH1-OE2 3.76Å; R203-E250 PolarHBondContact NH1-OE2 2.99Å; R203-I254 HydrophobicContact CB-CD1 3.54Å; R203-I254 HydrophobicContact CG-CD1 3.87Å; R203-I254 VanDerWaalsContact O-CG1 3.32Å; R203-I254 WeakPolarHBondContact O-CG1 3.23Å; R203-I254 WeakPolarHBondContact O-CG2 3.4Å |
| 204 | S | 86.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -109.4 | 149.1 | 168 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | E136 I137 R190 H200 | E136-S204 VanDerWaalsContact OE2-CB 3.27Å; E136-S204 WeakPolarHBondContact OE2-CB 3.5Å; E136-S204 PolarHBondContact OE2-OG 3.34Å; I137-S204 WeakPolarHBondContact O-CA 3.34Å; R190-S204 PolarHBondContact NE-OG 3.38Å; R190-S204 PolarHBondContact NH2-O 2.73Å; R190-S204 PolarHBondContact NH2-OG 3.02Å; H200-S204 PolarHBondContact CE1-OG 2.75Å; H200-S204 PolarHBondContact ND1-OG 3.32Å; H200-S204 PolarHBondContact O-N 2.95Å; H200-S204 VanDerWaalsContact O-N 3.09Å |
| 205 | H | 91.1 | Very high | 76.8 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.1 | 177 | -53.9 | -100.1 | 0 | 0 | 0 | 108.7 | E136 I137 D231 L232 A233 L258 M282 | E136-H205 CarbonylContact C-O 3.52Å; E136-H205 VanDerWaalsContact CA-O 3.23Å; E136-H205 WeakPolarHBondContact CA-O 3.37Å; I137-H205 HydrophobicContact CB-CB 4.34Å; I137-H205 PolarHBondContact N-O 2.82Å; I137-H205 PolarHBondContact O-CD2 2.64Å; I137-H205 PolarHBondContact O-N 2.63Å; H205-D231 CarbonylContact C-O 3.6Å; H205-D231 WeakPolarHBondContact CA-O 3.41Å; H205-L232 HydrophobicContact CB-CD2 4.37Å; H205-L232 WeakPolarHBondContact CE1-CA 3.31Å; H205-L232 WeakPolarHBondContact CE1-CB 3.26Å; H205-L232 WeakPolarHBondContact CE1-CD2 3.34Å; H205-L232 WeakPolarHBondContact CE1-CG 3.37Å; H205-L232 WeakPolarHBondContact ND1-CA 3.47Å; H205-L232 VanDerWaalsContact ND1-CD2 3.31Å; H205-L232 WeakPolarHBondContact ND1-CD2 3.34Å; H205-A233 PolarHBondContact CE1-N 2.88Å; H205-A233 PolarHBondContact ND1-N 3.5Å; H205-A233 WeakPolarHBondContact NE2-CB 3.47Å; H205-A233 PolarHBondContact NE2-N 2.99Å; H205-L258 WeakPolarHBondContact NE2-CD1 3.38Å; H205-L258 WeakPolarHBondContact NE2-CD2 3.47Å; H205-L258 WeakPolarHBondContact NE2-CG 3.33Å; H205-M282 HydrophobicContact CB-CE 4.29Å; H205-M282 VanDerWaalsContact CE1-CE 3.45Å; H205-M282 WeakPolarHBondContact CE1-CE 3.49Å; H205-M282 WeakPolarHBondContact ND1-CE 3.32Å |
| 206 | S | 92.8 | Very high | 78.9 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 129.2 | 175.2 | -94.9 | 0 | 0 | 0 | 0 | 110 | Y134 R190 V230 D231 | Y134-S206 PolarHBondContact OH-OG 2.77Å; R190-S206 PolarHBondContact NH1-OG 3.43Å; S206-V230 WeakPolarHBondContact O-CA 3.44Å; S206-D231 PolarHBondContact N-O 2.81Å; S206-D231 PolarHBondContact O-N 3.01Å |
| 207 | I | 95.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109.5 | 173.5 | -58.7 | -173.7 | 0 | 0 | 0 | 108.5 | Y134 F135 I137 Y228 V230 | Y134-I207 WeakPolarHBondContact CD2-O 3.45Å; F135-I207 HydrophobicContact CD2-CB 4.17Å; F135-I207 HydrophobicContact CE1-CB 4.35Å; F135-I207 HydrophobicContact CE1-CG2 4.06Å; F135-I207 HydrophobicContact CE2-CB 3.73Å; F135-I207 HydrophobicContact CE2-CD1 3.92Å; F135-I207 HydrophobicContact CE2-CG1 4.23Å; F135-I207 HydrophobicContact CE2-CG2 4.03Å; F135-I207 HydrophobicContact CZ-CB 3.83Å; F135-I207 HydrophobicContact CZ-CD1 4.35Å; F135-I207 HydrophobicContact CZ-CG2 3.59Å; F135-I207 PolarHBondContact N-O 2.85Å; F135-I207 VanDerWaalsContact N-O 3.15Å; F135-I207 PolarHBondContact O-N 2.92Å; I137-I207 HydrophobicContact CD1-CD1 3.93Å; I207-Y228 HydrophobicContact CG2-CD1 4.09Å; I207-V230 HydrophobicContact CG1-CG1 4.14Å; I207-V230 HydrophobicContact CG1-CG2 4.25Å; I207-V230 HydrophobicContact CG2-CG2 4.35Å |
| 208 | F | 97.1 | Very high | 83.3 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.3 | 168.9 | -164.1 | -102.6 | 0 | 0 | 0 | 108.5 | I108 V132 Y134 V179 I183 I210 L229 | I108-F208 HydrophobicContact CG2-CD1 4.16Å; I108-F208 HydrophobicContact CG2-CE1 4.41Å; V132-F208 HydrophobicContact CB-CE1 4.38Å; V132-F208 HydrophobicContact CB-CE2 4.44Å; V132-F208 HydrophobicContact CB-CZ 3.85Å; V132-F208 HydrophobicContact CG1-CE1 4.04Å; V132-F208 HydrophobicContact CG1-CZ 3.86Å; V132-F208 HydrophobicContact CG2-CZ 4.43Å; Y134-F208 AromaticContact CD1-CD2 3.95Å; Y134-F208 HydrophobicContact CD1-CD2 3.95Å; Y134-F208 HydrophobicContact CD1-CE2 4.34Å; Y134-F208 HydrophobicContact CD2-CB 4.19Å; Y134-F208 AromaticContact CD2-CD2 3.86Å; Y134-F208 HydrophobicContact CD2-CD2 3.86Å; Y134-F208 HydrophobicContact CE2-CB 4.38Å; Y134-F208 HydrophobicContact CE2-CD2 4.45Å; Y134-F208 AromaticContact CG-CD2 3.59Å; Y134-F208 HydrophobicContact CG-CD2 3.59Å; Y134-F208 HydrophobicContact CG-CE2 4.21Å; V179-F208 HydrophobicContact CG1-CE1 3.98Å; V179-F208 HydrophobicContact CG1-CZ 3.69Å; I183-F208 HydrophobicContact CD1-CE1 4.3Å; I183-F208 HydrophobicContact CD1-CE2 4.31Å; I183-F208 HydrophobicContact CD1-CZ 4.04Å; I183-F208 HydrophobicContact CG1-CD2 4.07Å; I183-F208 HydrophobicContact CG1-CE1 4.38Å; I183-F208 HydrophobicContact CG1-CE2 3.52Å; I183-F208 HydrophobicContact CG1-CZ 3.7Å; F208-I210 HydrophobicContact CD1-CD1 4.37Å; F208-I210 HydrophobicContact CD1-CG1 3.86Å; F208-I210 HydrophobicContact CE1-CD1 4.09Å; F208-I210 HydrophobicContact CE1-CG1 3.64Å; F208-L229 HydrophobicContact CB-CB 4.36Å; F208-L229 HydrophobicContact CD1-CD1 4.46Å; F208-L229 PolarHBondContact N-O 2.82Å; F208-L229 PolarHBondContact O-N 2.84Å |
| 209 | L | 96.4 | Very high | 85.2 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.6 | 178.3 | 168.8 | 60.9 | 0 | 0 | 0 | 108.8 | V132 S133 K226 Y228 | V132-L209 CarbonylContact C-O 3.6Å; V132-L209 VanDerWaalsContact CA-O 3.27Å; V132-L209 WeakPolarHBondContact CA-O 3.35Å; S133-L209 PolarHBondContact N-O 3.45Å; S133-L209 PolarHBondContact O-N 3.27Å; L209-K226 HydrophobicContact CD1-CB 4.12Å; L209-Y228 HydrophobicContact CB-CD1 4.46Å; L209-Y228 HydrophobicContact CD1-CD1 4.01Å; L209-Y228 HydrophobicContact CD1-CD2 4.05Å; L209-Y228 HydrophobicContact CD1-CE1 3.88Å; L209-Y228 HydrophobicContact CD1-CE2 3.9Å; L209-Y228 HydrophobicContact CD1-CG 4.1Å; L209-Y228 HydrophobicContact CD2-CE1 4.04Å; L209-Y228 HydrophobicContact CG-CE1 4.37Å |
| 210 | I | 97.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.8 | 165.7 | -50.3 | 177 | 0 | 0 | 0 | 107.4 | I111 V112 I115 I130 V132 F208 V212 L227 L229 | I111-I210 HydrophobicContact CG2-CD1 3.82Å; V112-I210 HydrophobicContact CG2-CD1 4.2Å; I115-I210 HydrophobicContact CD1-CD1 4.26Å; I115-I210 HydrophobicContact CD1-CG2 4.17Å; I130-I210 HydrophobicContact CG2-CG2 3.93Å; V132-I210 HydrophobicContact CG1-CG1 4.27Å; V132-I210 HydrophobicContact CG1-CG2 4.47Å; F208-I210 HydrophobicContact CD1-CD1 4.37Å; F208-I210 HydrophobicContact CD1-CG1 3.86Å; F208-I210 HydrophobicContact CE1-CD1 4.09Å; F208-I210 HydrophobicContact CE1-CG1 3.64Å; I210-V212 HydrophobicContact CG2-CG2 4.03Å; I210-L227 HydrophobicContact CB-CB 4.39Å; I210-L227 PolarHBondContact N-O 3.26Å; I210-L227 PolarHBondContact O-N 3.37Å; I210-L229 HydrophobicContact CD1-CD1 3.96Å; I210-L229 HydrophobicContact CG1-CD1 4.42Å |
| 211 | N | 95.6 | Very high | 87.6 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.6 | 174.7 | 178.4 | 24.7 | 0 | 0 | 0 | 107.9 | K131 S224 K226 | K131-N211 HydrophobicContact CB-CB 4.33Å; K131-N211 PolarHBondContact N-O 2.63Å; K131-N211 PolarHBondContact O-N 3.43Å; N211-S224 PolarHBondContact OD1-OG 3.49Å; N211-K226 HydrophobicContact CB-CG 4.44Å |
| 212 | V | 95.5 | Very high | 88.7 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 108 | V73 L74 I115 F128 I210 S224 G225 | V73-V212 HydrophobicContact CG1-CG2 4.34Å; L74-V212 HydrophobicContact CD2-CG1 4.26Å; I115-V212 HydrophobicContact CD1-CG2 4.24Å; I115-V212 HydrophobicContact CG2-CG2 4.29Å; F128-V212 HydrophobicContact CD1-CG1 4.17Å; I210-V212 HydrophobicContact CG2-CG2 4.03Å; V212-S224 WeakPolarHBondContact O-CA 3.45Å; V212-G225 PolarHBondContact N-O 3.23Å; V212-G225 PolarHBondContact O-N 3.05Å |
| 213 | K | 93.9 | Very high | 89.7 | Confident | 65 Ų | 65 | 40.4 Ų | 40.4 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.8 | 162.8 | -77.6 | -165.6 | 166.4 | -151.8 | 0 | 109.9 | H129 L223 S224 E334 | H129-K213 HydrophobicContact CB-CB 4.05Å; H129-K213 PolarHBondContact N-O 2.91Å; H129-K213 PolarHBondContact O-N 2.92Å; K213-L223 WeakPolarHBondContact CA-O 3.37Å; K213-S224 WeakPolarHBondContact CE-OG 3.34Å; K213-S224 WeakPolarHBondContact CG-OG 3.46Å; K213-E334 IonicContact NZ-OE1 3.21Å; K213-E334 PolarHBondContact NZ-OE1 2.87Å; K213-E334 IonicContact NZ-OE2 2.87Å; K213-E334 PolarHBondContact NZ-OE2 3.46Å |
| 214 | Q | 91.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.2 | 169.2 | 65.8 | -174.7 | -40.5 | 0 | 0 | 110.2 | L74 E127 F128 K222 L223 | L74-Q214 PolarHBondContact O-NE2 3.42Å; E127-Q214 CarbonylContact O-C 3.59Å; E127-Q214 VanDerWaalsContact O-CA 3.29Å; E127-Q214 WeakPolarHBondContact O-CA 3.11Å; F128-Q214 HydrophobicContact CD1-CB 3.63Å; F128-Q214 HydrophobicContact CE1-CB 3.56Å; F128-Q214 HydrophobicContact CE1-CG 4.33Å; F128-Q214 HydrophobicContact CG-CB 4.35Å; F128-Q214 HydrophobicContact CZ-CB 4.23Å; Q214-K222 WeakPolarHBondContact O-CA 3.37Å; Q214-L223 HydrophobicContact CG-CB 3.8Å; Q214-L223 HydrophobicContact CG-CD1 4.44Å; Q214-L223 PolarHBondContact N-O 2.85Å; Q214-L223 PolarHBondContact O-N 2.83Å |
| 215 | E | 90.4 | Very high | 90.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.7 | 179.9 | 176.7 | 157.9 | -177.3 | 0 | 0 | 109.6 | E127 K222 | E127-E215 PolarHBondContact N-O 3.35Å; E127-E215 PolarHBondContact O-N 2.98Å; E215-K222 HydrophobicContact CB-CG 4.2Å; E215-K222 VanDerWaalsContact CD-CE 3.44Å; E215-K222 HydrophobicContact CG-CG 3.96Å; E215-K222 WeakPolarHBondContact OE1-CE 3.3Å; E215-K222 IonicContact OE1-NZ 3.81Å; E215-K222 PolarHBondContact OE1-NZ 3.19Å; E215-K222 WeakPolarHBondContact OE2-CE 3.45Å; E215-K222 IonicContact OE2-NZ 3.14Å; E215-K222 PolarHBondContact OE2-NZ 2.87Å |
| 216 | N | 88.1 | Confident | 90.8 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 117.1 | 173.8 | -174 | -73.2 | 0 | 0 | 0 | 110 | N125 L126 Q218 T219 E220 Q221 | N125-N216 CarbonylContact O-C 3.6Å; N125-N216 WeakPolarHBondContact O-CA 3.5Å; L126-N216 HydrophobicContact CD2-CB 3.83Å; N216-Q218 PolarHBondContact O-N 2.77Å; N216-Q218 PolarHBondContact OD1-N 2.77Å; N216-T219 WeakPolarHBondContact CB-OG1 3.48Å; N216-T219 PolarHBondContact O-N 3.31Å; N216-T219 PolarHBondContact OD1-N 3.28Å; N216-T219 PolarHBondContact OD1-OG1 3.14Å; N216-E220 VanDerWaalsContact O-CA 3.25Å; N216-E220 WeakPolarHBondContact O-CA 3.46Å; N216-E220 PolarHBondContact O-N 2.79Å; N216-Q221 PolarHBondContact N-O 3.22Å |
| 217 | T | 85.9 | Confident | 91 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -14.4 | -173.5 | 60 | 0 | 0 | 0 | 0 | 114 | N125 | N125-T217 PolarHBondContact O-N 3.25Å; N125-T217 PolarHBondContact O-OG1 2.97Å |
| 218 | Q | 83.9 | Confident | 91.1 | Very high | 141 Ų | 141 | 42 Ų | 42 | 66% | 0.659 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -33.5 | 177 | -60.7 | -171.4 | 7.1 | 0 | 0 | 113.3 | N125 N216 | N125-Q218 HydrophobicContact CB-CG 4.32Å; N125-Q218 PolarHBondContact OD1-NE2 3Å; N216-Q218 PolarHBondContact O-N 2.77Å; N216-Q218 PolarHBondContact OD1-N 2.77Å |
| 219 | T | 81.4 | Confident | 91.1 | Very high | 75 Ų | 75 | 42 Ų | 42 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -3.9 | -176.8 | 67.5 | 0 | 0 | 0 | 0 | 114 | N216 Q221 | N216-T219 WeakPolarHBondContact CB-OG1 3.48Å; N216-T219 PolarHBondContact O-N 3.31Å; N216-T219 PolarHBondContact OD1-N 3.28Å; N216-T219 PolarHBondContact OD1-OG1 3.14Å; T219-Q221 PolarHBondContact O-N 2.94Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.45Å; T219-Q221 PolarHBondContact OG1-N 2.98Å |
| 220 | E | 81.8 | Confident | 91.1 | Very high | 113 Ų | 113 | 41 Ų | 41 | 53% | 0.528 | 20% | 0.204 | S | C | . | . | trans | 53.4 | 14.8 | -169.8 | -54.7 | -174.1 | 165.9 | 0 | 0 | 114.2 | N216 K222 T336 | N216-E220 VanDerWaalsContact O-CA 3.25Å; N216-E220 WeakPolarHBondContact O-CA 3.46Å; N216-E220 PolarHBondContact O-N 2.79Å; E220-K222 PolarHBondContact O-N 3.01Å; E220-T336 HydrophobicContact CB-CG2 3.67Å; E220-T336 WeakPolarHBondContact O-CG2 3.25Å | ||
| 221 | Q | 82.6 | Confident | 91 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | trans | -76.6 | 120.8 | -177.2 | -174.8 | 175.6 | -10.1 | 0 | 0 | 110.5 | N216 T219 I333 | N216-Q221 PolarHBondContact N-O 3.22Å; T219-Q221 PolarHBondContact O-N 2.94Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.45Å; T219-Q221 PolarHBondContact OG1-N 2.98Å; Q221-I333 HydrophobicContact CG-CG2 4.27Å | ||
| 222 | K | 88.7 | Confident | 90.8 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.9 | 178 | -54.9 | 178.3 | -163.2 | -121 | 0 | 110.4 | Q214 E215 E220 E334 | Q214-K222 WeakPolarHBondContact O-CA 3.37Å; E215-K222 HydrophobicContact CB-CG 4.2Å; E215-K222 VanDerWaalsContact CD-CE 3.44Å; E215-K222 HydrophobicContact CG-CG 3.96Å; E215-K222 WeakPolarHBondContact OE1-CE 3.3Å; E215-K222 IonicContact OE1-NZ 3.81Å; E215-K222 PolarHBondContact OE1-NZ 3.19Å; E215-K222 WeakPolarHBondContact OE2-CE 3.45Å; E215-K222 IonicContact OE2-NZ 3.14Å; E215-K222 PolarHBondContact OE2-NZ 2.87Å; E220-K222 PolarHBondContact O-N 3.01Å; K222-E334 HydrophobicContact CB-CB 3.81Å; K222-E334 PolarHBondContact O-N 2.77Å |
| 223 | L | 90.9 | Very high | 90.5 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 145.7 | 176.9 | -62.1 | 173.6 | 0 | 0 | 0 | 109.6 | K213 Q214 V331 I333 | K213-L223 WeakPolarHBondContact CA-O 3.37Å; Q214-L223 HydrophobicContact CG-CB 3.8Å; Q214-L223 HydrophobicContact CG-CD1 4.44Å; Q214-L223 PolarHBondContact N-O 2.85Å; Q214-L223 PolarHBondContact O-N 2.83Å; L223-V331 HydrophobicContact CD2-CG1 3.78Å; L223-I333 HydrophobicContact CD2-CB 4.25Å; L223-I333 HydrophobicContact CD2-CG1 3.76Å; L223-I333 HydrophobicContact CD2-CG2 4.29Å |
| 224 | S | 91.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 98.3 | -177.7 | -167.1 | 0 | 0 | 0 | 0 | 111.9 | N211 V212 K213 N332 | N211-S224 PolarHBondContact OD1-OG 3.49Å; V212-S224 WeakPolarHBondContact O-CA 3.45Å; K213-S224 WeakPolarHBondContact CE-OG 3.34Å; K213-S224 WeakPolarHBondContact CG-OG 3.46Å; S224-N332 PolarHBondContact N-O 3.23Å; S224-N332 VanDerWaalsContact N-O 3.14Å; S224-N332 VanDerWaalsContact O-CB 3.3Å; S224-N332 WeakPolarHBondContact O-CB 3.46Å |
| 225 | G | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y77 V212 | Y77-G225 WeakPolarHBondContact O-CA 3.49Å; V212-G225 PolarHBondContact N-O 3.23Å; V212-G225 PolarHBondContact O-N 3.05Å |
| 226 | K | 93.9 | Very high | 89.8 | Confident | 53 Ų | 53 | 36.4 Ų | 36.4 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.6 | 173.2 | -66.5 | 176.7 | -175.9 | 171.8 | 0 | 111.2 | N78 G79 L209 N211 Y228 | N78-K226 CarbonylContact C-O 3.49Å; N78-K226 VanDerWaalsContact CA-O 3.27Å; N78-K226 WeakPolarHBondContact CA-O 3.44Å; N78-K226 WeakPolarHBondContact OD1-CB 3.38Å; N78-K226 PolarHBondContact OD1-N 2.94Å; G79-K226 PolarHBondContact N-O 2.8Å; L209-K226 HydrophobicContact CD1-CB 4.12Å; N211-K226 HydrophobicContact CB-CG 4.44Å; K226-Y228 HydrophobicContact CB-CE2 4.01Å; K226-Y228 HydrophobicContact CD-CE2 4.5Å |
| 227 | L | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 107.4 | -180 | -176.4 | 45.4 | 0 | 0 | 0 | 110.7 | I69 V73 G79 I111 I210 L229 | I69-L227 HydrophobicContact CG2-CD1 3.69Å; V73-L227 HydrophobicContact CG1-CB 4.17Å; V73-L227 HydrophobicContact CG2-CB 4Å; V73-L227 HydrophobicContact CG2-CD1 4.33Å; V73-L227 HydrophobicContact CG2-CD2 4.34Å; V73-L227 HydrophobicContact CG2-CG 4.46Å; G79-L227 WeakPolarHBondContact O-CA 3.39Å; I111-L227 HydrophobicContact CD1-CD2 4.23Å; I111-L227 HydrophobicContact CG2-CD2 3.69Å; I210-L227 HydrophobicContact CB-CB 4.39Å; I210-L227 PolarHBondContact N-O 3.26Å; I210-L227 PolarHBondContact O-N 3.37Å; L227-L229 HydrophobicContact CD1-CD2 3.81Å; L227-L229 HydrophobicContact CD2-CD2 4.46Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 4.12Å |
| 228 | Y | 96.4 | Very high | 88.5 | Confident | 17 Ų | 17 | 38 Ų | 38 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.9 | 176.7 | -67.5 | -96 | 0 | 0 | 0 | 110.5 | G79 T80 I81 I207 L209 K226 I285 | G79-Y228 PolarHBondContact O-N 2.63Å; T80-Y228 CarbonylContact C-O 3.57Å; T80-Y228 VanDerWaalsContact CA-O 3.3Å; T80-Y228 WeakPolarHBondContact CA-O 3.25Å; I81-Y228 PolarHBondContact N-O 3.3Å; I207-Y228 HydrophobicContact CG2-CD1 4.09Å; L209-Y228 HydrophobicContact CB-CD1 4.46Å; L209-Y228 HydrophobicContact CD1-CD1 4.01Å; L209-Y228 HydrophobicContact CD1-CD2 4.05Å; L209-Y228 HydrophobicContact CD1-CE1 3.88Å; L209-Y228 HydrophobicContact CD1-CE2 3.9Å; L209-Y228 HydrophobicContact CD1-CG 4.1Å; L209-Y228 HydrophobicContact CD2-CE1 4.04Å; L209-Y228 HydrophobicContact CG-CE1 4.37Å; K226-Y228 HydrophobicContact CB-CE2 4.01Å; K226-Y228 HydrophobicContact CD-CE2 4.5Å; Y228-I285 HydrophobicContact CE1-CG2 4.11Å |
| 229 | L | 97.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.5 | -178.2 | -56.2 | 175.8 | 0 | 0 | 0 | 107.8 | I81 M95 I108 I111 F208 I210 L227 | I81-L229 HydrophobicContact CB-CD2 3.88Å; I81-L229 HydrophobicContact CD1-CD2 3.99Å; I81-L229 HydrophobicContact CG1-CD2 4.04Å; M95-L229 HydrophobicContact CE-CB 3.82Å; I108-L229 HydrophobicContact CB-CD1 4.39Å; I108-L229 HydrophobicContact CD1-CB 4.32Å; I108-L229 HydrophobicContact CG1-CB 4.06Å; I108-L229 HydrophobicContact CG1-CD1 3.9Å; I108-L229 HydrophobicContact CG2-CD1 4.19Å; I111-L229 HydrophobicContact CD1-CD1 3.72Å; I111-L229 HydrophobicContact CD1-CD2 3.49Å; I111-L229 VanDerWaalsContact CD1-CD2 3.49Å; I111-L229 HydrophobicContact CD1-CG 4.28Å; I111-L229 HydrophobicContact CG2-CD1 4.36Å; F208-L229 HydrophobicContact CB-CB 4.36Å; F208-L229 HydrophobicContact CD1-CD1 4.46Å; F208-L229 PolarHBondContact N-O 2.82Å; F208-L229 PolarHBondContact O-N 2.84Å; I210-L229 HydrophobicContact CD1-CD1 3.96Å; I210-L229 HydrophobicContact CG1-CD1 4.42Å; L227-L229 HydrophobicContact CD1-CD2 3.81Å; L227-L229 HydrophobicContact CD2-CD2 4.46Å; L227-L229 HydrophobicContact CG-CD1 4.43Å; L227-L229 HydrophobicContact CG-CD2 3.85Å; L227-L229 HydrophobicContact CG-CG 4.12Å |
| 230 | V | 95.9 | Very high | 87 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109.2 | -160.9 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | T80 I81 F82 A83 S206 I207 L232 L286 | T80-V230 HydrophobicContact CG2-CG2 4.42Å; I81-V230 PolarHBondContact O-N 3.17Å; F82-V230 HydrophobicContact CD1-CB 3.66Å; F82-V230 HydrophobicContact CD1-CG1 3.74Å; F82-V230 HydrophobicContact CD1-CG2 4.1Å; F82-V230 HydrophobicContact CE1-CB 4.01Å; F82-V230 HydrophobicContact CE1-CG1 3.98Å; F82-V230 HydrophobicContact CE1-CG2 3.97Å; A83-V230 PolarHBondContact N-O 3.48Å; S206-V230 WeakPolarHBondContact O-CA 3.44Å; I207-V230 HydrophobicContact CG1-CG1 4.14Å; I207-V230 HydrophobicContact CG1-CG2 4.25Å; I207-V230 HydrophobicContact CG2-CG2 4.35Å; V230-L232 HydrophobicContact CG1-CD2 3.51Å; V230-L232 HydrophobicContact CG1-CG 3.93Å; V230-L286 HydrophobicContact CG2-CD2 4.07Å |
| 231 | D | 94.9 | Very high | 86.1 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 107.1 | 167.8 | -169.5 | 23 | 0 | 0 | 0 | 108.9 | K91 T92 M95 H205 S206 | K91-D231 WeakPolarHBondContact CB-OD1 3.47Å; T92-D231 VanDerWaalsContact CA-OD2 3.31Å; T92-D231 WeakPolarHBondContact CA-OD2 3.23Å; T92-D231 VanDerWaalsContact CB-OD2 3.24Å; T92-D231 WeakPolarHBondContact CB-OD2 3.4Å; T92-D231 WeakPolarHBondContact CG2-OD2 3.5Å; T92-D231 PolarHBondContact N-OD1 3.02Å; T92-D231 PolarHBondContact OG1-OD2 3.48Å; M95-D231 HydrophobicContact CB-CB 4.4Å; M95-D231 HydrophobicContact CG-CB 4.07Å; H205-D231 CarbonylContact C-O 3.6Å; H205-D231 WeakPolarHBondContact CA-O 3.41Å; S206-D231 PolarHBondContact N-O 2.81Å; S206-D231 PolarHBondContact O-N 3.01Å |
| 232 | L | 92.4 | Very high | 85.2 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -79 | 163.2 | -176.7 | -62.5 | 171.4 | 0 | 0 | 0 | 111.5 | F82 A83 Y84 K91 H205 V230 L258 L261 M282 | F82-L232 HydrophobicContact CD1-CD1 4.37Å; A83-L232 WeakPolarHBondContact O-CB 3.36Å; A83-L232 WeakPolarHBondContact O-CG 3.39Å; A83-L232 PolarHBondContact O-N 2.96Å; Y84-L232 HydrophobicContact CD2-CD1 3.78Å; Y84-L232 HydrophobicContact CG-CD1 4.49Å; K91-L232 WeakPolarHBondContact CE-O 3.45Å; H205-L232 HydrophobicContact CB-CD2 4.37Å; H205-L232 WeakPolarHBondContact CE1-CA 3.31Å; H205-L232 WeakPolarHBondContact CE1-CB 3.26Å; H205-L232 WeakPolarHBondContact CE1-CD2 3.34Å; H205-L232 WeakPolarHBondContact CE1-CG 3.37Å; H205-L232 WeakPolarHBondContact ND1-CA 3.47Å; H205-L232 VanDerWaalsContact ND1-CD2 3.31Å; H205-L232 WeakPolarHBondContact ND1-CD2 3.34Å; V230-L232 HydrophobicContact CG1-CD2 3.51Å; V230-L232 HydrophobicContact CG1-CG 3.93Å; L232-L258 HydrophobicContact CB-CD2 4.35Å; L232-L258 HydrophobicContact CD1-CD2 4.25Å; L232-L261 HydrophobicContact CD1-CD2 3.88Å; L232-M282 HydrophobicContact CD2-CE 3.99Å; L232-M282 HydrophobicContact CD2-SD 3.79Å | ||
| 233 | A | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -64 | 174.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K91 S202 H205 S235 I254 | K91-A233 VanDerWaalsContact CE-O 3.3Å; K91-A233 WeakPolarHBondContact CE-O 3.47Å; K91-A233 PolarHBondContact NZ-O 3Å; S202-A233 WeakPolarHBondContact O-CB 3.05Å; H205-A233 PolarHBondContact CE1-N 2.88Å; H205-A233 PolarHBondContact ND1-N 3.5Å; H205-A233 WeakPolarHBondContact NE2-CB 3.47Å; H205-A233 PolarHBondContact NE2-N 2.99Å; A233-S235 PolarHBondContact O-N 3.22Å; A233-I254 HydrophobicContact CB-CG2 3.6Å | ||
| 234 | G | 88.2 | Confident | 82.8 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -58.1 | 129.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | T87 S202 E236 L258 | T87-G234 WeakPolarHBondContact OG1-CA 3.39Å; S202-G234 PolarHBondContact O-N 2.91Å; G234-E236 VanDerWaalsContact C-N 3.33Å; G234-E236 VanDerWaalsContact C-OE2 3.24Å; G234-E236 WeakPolarHBondContact CA-OE2 3.19Å; G234-L258 VanDerWaalsContact O-CD1 3.32Å; G234-L258 WeakPolarHBondContact O-CD1 3.22Å | ||
| 235 | S | 88.6 | Confident | 82 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | trans | -88.8 | 6.5 | 175.6 | 75 | 0 | 0 | 0 | 0 | 114.4 | G85 Q86 A233 | G85-S235 WeakPolarHBondContact CA-OG 3.42Å; G85-S235 PolarHBondContact O-N 2.87Å; G85-S235 VanDerWaalsContact O-N 3.17Å; G85-S235 PolarHBondContact O-OG 2.81Å; Q86-S235 PolarHBondContact N-OG 2.95Å; Q86-S235 VanDerWaalsContact N-OG 3.16Å; A233-S235 PolarHBondContact O-N 3.22Å | ||
| 236 | E | 83.7 | Confident | 80.6 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -70 | 148.9 | -179.9 | 62.8 | -82.2 | -167.8 | 0 | 0 | 112.9 | Q86 T87 G234 T241 N255 E311 | Q86-E236 WeakPolarHBondContact CA-OE2 3.37Å; Q86-E236 HydrophobicContact CB-CB 4.15Å; Q86-E236 WeakPolarHBondContact CB-OE2 3.42Å; T87-E236 WeakPolarHBondContact CB-OE1 3.48Å; T87-E236 PolarHBondContact N-OE2 3.48Å; T87-E236 PolarHBondContact OG1-OE1 2.66Å; T87-E236 PolarHBondContact OG1-OE2 2.83Å; G234-E236 VanDerWaalsContact C-N 3.33Å; G234-E236 VanDerWaalsContact C-OE2 3.24Å; G234-E236 WeakPolarHBondContact CA-OE2 3.19Å; E236-T241 HydrophobicContact CG-CG2 4.38Å; E236-N255 PolarHBondContact O-ND2 2.68Å; E236-E311 HydrophobicContact CB-CG 4.41Å |
| 237 | K | 75.1 | Confident | 79.3 | Confident | 121 Ų | 121 | 43.7 Ų | 43.7 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | trans | -67.8 | 135.8 | -179.3 | -62.7 | -175.5 | -179.6 | -175.7 | 0 | 111.2 | S239 K240 | K237-S239 PolarHBondContact O-N 2.88Å; K237-S239 VanDerWaalsContact O-N 3.09Å; K237-K240 WeakPolarHBondContact O-CB 3.45Å; K237-K240 PolarHBondContact O-N 3.19Å | ||
| 238 | V | 71.5 | Confident | 78 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -52.6 | -33.1 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | K240 T241 L248 A251 N255 | V238-K240 PolarHBondContact O-N 3.38Å; V238-T241 PolarHBondContact O-N 3.13Å; V238-T241 PolarHBondContact O-OG1 2.83Å; V238-L248 HydrophobicContact CG1-CD1 3.46Å; V238-L248 VanDerWaalsContact CG1-CD1 3.46Å; V238-A251 HydrophobicContact CG1-CB 3.83Å; V238-A251 HydrophobicContact CG2-CB 4.05Å; V238-N255 HydrophobicContact CG2-CB 4.34Å; V238-N255 WeakPolarHBondContact CG2-ND2 3.29Å |
| 239 | S | 67.9 | Low | 76.7 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 77% | 0.769 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -65.8 | -15.4 | 175.7 | 54 | 0 | 0 | 0 | 0 | 114.9 | K237 | K237-S239 PolarHBondContact O-N 2.88Å; K237-S239 VanDerWaalsContact O-N 3.09Å |
| 240 | K | 64.8 | Low | 75.4 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -92.7 | -13.4 | 176.2 | -160.4 | 175.6 | -176.5 | -180 | 0 | 113.1 | K237 V238 Y307 E311 | K237-K240 WeakPolarHBondContact O-CB 3.45Å; K237-K240 PolarHBondContact O-N 3.19Å; V238-K240 PolarHBondContact O-N 3.38Å; K240-Y307 PolarHBondContact NZ-O 2.85Å; K240-E311 HydrophobicContact CD-CG 4.4Å |
| 241 | T | 64.2 | Low | 74.2 | Confident | 66 Ų | 66 | 51 Ų | 51 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15.3 | -178.1 | 66 | 0 | 0 | 0 | 0 | 113.7 | E236 V238 A243 | E236-T241 HydrophobicContact CG-CG2 4.38Å; V238-T241 PolarHBondContact O-N 3.13Å; V238-T241 PolarHBondContact O-OG1 2.83Å; T241-A243 PolarHBondContact O-N 3.28Å; T241-A243 WeakPolarHBondContact OG1-CB 3.38Å; T241-A243 PolarHBondContact OG1-N 3.34Å |
| 242 | G | 63.8 | Low | 73.2 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 19.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 243 | A | 62.1 | Low | 72.1 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | trans | -73.4 | 132.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T241 V247 L248 | T241-A243 PolarHBondContact O-N 3.28Å; T241-A243 WeakPolarHBondContact OG1-CB 3.38Å; T241-A243 PolarHBondContact OG1-N 3.34Å; A243-V247 HydrophobicContact CB-CB 4.1Å; A243-V247 HydrophobicContact CB-CG1 3.82Å; A243-L248 WeakPolarHBondContact O-CD1 3.23Å | ||
| 244 | E | 66.6 | Low | 71.2 | Confident | 165 Ų | 165 | 59.2 Ų | 59.2 | 77% | 0.771 | 36% | 0.355 | S | S | * | . | trans | -120.6 | 165.1 | 174.6 | -64.7 | -171.8 | 170.3 | 0 | 0 | 111.2 | V247 | E244-V247 PolarHBondContact O-N 2.8Š| ||
| 245 | G | 74 | Confident | 70.6 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 57% | 0.567 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | -137.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V247 L248 | G245-V247 PolarHBondContact O-N 3.14Å; G245-L248 VanDerWaalsContact O-CB 3.28Å; G245-L248 WeakPolarHBondContact O-CB 3.3Å; G245-L248 PolarHBondContact O-N 2.85Å |
| 246 | A | 65.4 | Low | 70.3 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 70% | 0.702 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.1 | -31.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L248 D249 E250 | A246-L248 VanDerWaalsContact C-N 3.28Å; A246-L248 PolarHBondContact O-N 3.35Å; A246-D249 PolarHBondContact O-N 2.91Å; A246-E250 WeakPolarHBondContact O-CB 3.27Å; A246-E250 PolarHBondContact O-N 3.5Å |
| 247 | V | 65.9 | Low | 70.4 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.6 | -28.5 | 179.4 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | A243 E244 G245 A251 | A243-V247 HydrophobicContact CB-CB 4.1Å; A243-V247 HydrophobicContact CB-CG1 3.82Å; E244-V247 PolarHBondContact O-N 2.8Å; G245-V247 PolarHBondContact O-N 3.14Å; V247-A251 VanDerWaalsContact O-CB 3.3Å; V247-A251 WeakPolarHBondContact O-CB 3.17Å; V247-A251 PolarHBondContact O-N 3.31Å |
| 248 | L | 70 | Confident | 70.9 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 173.9 | -179.5 | 65.4 | 0 | 0 | 0 | 111.2 | V238 A243 G245 A246 A251 K252 | V238-L248 HydrophobicContact CG1-CD1 3.46Å; V238-L248 VanDerWaalsContact CG1-CD1 3.46Å; A243-L248 WeakPolarHBondContact O-CD1 3.23Å; G245-L248 VanDerWaalsContact O-CB 3.28Å; G245-L248 WeakPolarHBondContact O-CB 3.3Å; G245-L248 PolarHBondContact O-N 2.85Å; A246-L248 VanDerWaalsContact C-N 3.28Å; A246-L248 PolarHBondContact O-N 3.35Å; L248-A251 PolarHBondContact O-N 2.91Å; L248-K252 WeakPolarHBondContact O-CG 3.32Å; L248-K252 PolarHBondContact O-N 3.05Å |
| 249 | D | 69.3 | Low | 71.6 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.9 | -30.6 | 179.2 | -72 | -23.4 | 0 | 0 | 0 | 112.5 | A246 K252 N253 | A246-D249 PolarHBondContact O-N 2.91Å; D249-K252 WeakPolarHBondContact OD1-CD 3.37Å; D249-K252 WeakPolarHBondContact OD1-CE 3.17Å; D249-K252 IonicContact OD1-NZ 2.69Å; D249-K252 PolarHBondContact OD1-NZ 2.8Å; D249-N253 WeakPolarHBondContact O-CB 3.36Å; D249-N253 PolarHBondContact O-N 3.31Å; D249-N253 PolarHBondContact O-ND2 2.84Å |
| 250 | E | 70.1 | Confident | 72.7 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.8 | -55.9 | 165.5 | -165.3 | -156.1 | 132.9 | 0 | 0 | 110.4 | Y138 L139 R203 A246 K252 N253 I254 | Y138-E250 HydrophobicContact CE2-CG 4.15Å; Y138-E250 VanDerWaalsContact OH-CD 3.22Å; Y138-E250 WeakPolarHBondContact OH-CG 3.34Å; Y138-E250 PolarHBondContact OH-OE1 2.78Å; L139-E250 HydrophobicContact CD2-CB 4.37Å; L139-E250 HydrophobicContact CD2-CG 3.88Å; R203-E250 WeakPolarHBondContact CD-OE1 3.18Å; R203-E250 IonicContact CZ-OE1 2.64Å; R203-E250 IonicContact NE-OE1 2.74Å; R203-E250 IonicContact NH1-OE1 3.84Å; R203-E250 PolarHBondContact NH1-OE1 2.78Å; R203-E250 IonicContact NH1-OE2 3.76Å; R203-E250 PolarHBondContact NH1-OE2 2.99Å; A246-E250 WeakPolarHBondContact O-CB 3.27Å; A246-E250 PolarHBondContact O-N 3.5Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 2.91Å; E250-N253 PolarHBondContact O-N 3.37Å; E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CD1 3.48Å; E250-I254 VanDerWaalsContact O-CG1 3.3Å; E250-I254 WeakPolarHBondContact O-CG1 3.4Å; E250-I254 PolarHBondContact O-N 2.88Å |
| 251 | A | 69.9 | Low | 74 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V238 V247 L248 N255 | V238-A251 HydrophobicContact CG1-CB 3.83Å; V238-A251 HydrophobicContact CG2-CB 4.05Å; V247-A251 VanDerWaalsContact O-CB 3.3Å; V247-A251 WeakPolarHBondContact O-CB 3.17Å; V247-A251 PolarHBondContact O-N 3.31Å; L248-A251 PolarHBondContact O-N 2.91Å; A251-N255 WeakPolarHBondContact O-CB 3.5Å; A251-N255 PolarHBondContact O-N 3.36Å; A251-N255 VanDerWaalsContact O-N 3.12Å; A251-N255 PolarHBondContact O-ND2 3.08Å |
| 252 | K | 72.9 | Confident | 75.2 | Confident | 103 Ų | 103 | 47.9 Ų | 47.9 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 170.1 | -73.8 | 172 | -165.5 | 154.3 | 0 | 111.8 | L248 D249 E250 I254 N255 K256 | L248-K252 WeakPolarHBondContact O-CG 3.32Å; L248-K252 PolarHBondContact O-N 3.05Å; D249-K252 WeakPolarHBondContact OD1-CD 3.37Å; D249-K252 WeakPolarHBondContact OD1-CE 3.17Å; D249-K252 IonicContact OD1-NZ 2.69Å; D249-K252 PolarHBondContact OD1-NZ 2.8Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 2.91Å; K252-I254 PolarHBondContact O-N 2.96Å; K252-N255 CarbonylContact O-C 3.58Å; K252-N255 PolarHBondContact O-N 3.26Å; K252-K256 PolarHBondContact O-N 3.38Å |
| 253 | N | 70.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.7 | -31.5 | -176.8 | -81.7 | -66.4 | 0 | 0 | 0 | 113.1 | L139 D249 E250 K256 | L139-N253 HydrophobicContact CD2-CB 3.67Å; D249-N253 WeakPolarHBondContact O-CB 3.36Å; D249-N253 PolarHBondContact O-N 3.31Å; D249-N253 PolarHBondContact O-ND2 2.84Å; E250-N253 PolarHBondContact O-N 3.37Å; N253-K256 WeakPolarHBondContact O-CB 3.47Å |
| 254 | I | 71.4 | Confident | 78 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -53.6 | 171.7 | -61.8 | 157.2 | 0 | 0 | 0 | 109.4 | Y138 L139 R203 A233 E250 K252 K256 S257 | Y138-I254 HydrophobicContact CE2-CD1 4.27Å; L139-I254 HydrophobicContact CD2-CG1 4.5Å; R203-I254 HydrophobicContact CB-CD1 3.54Å; R203-I254 HydrophobicContact CG-CD1 3.87Å; R203-I254 VanDerWaalsContact O-CG1 3.32Å; R203-I254 WeakPolarHBondContact O-CG1 3.23Å; R203-I254 WeakPolarHBondContact O-CG2 3.4Å; A233-I254 HydrophobicContact CB-CG2 3.6Å; E250-I254 HydrophobicContact CG-CD1 4.07Å; E250-I254 WeakPolarHBondContact O-CD1 3.48Å; E250-I254 VanDerWaalsContact O-CG1 3.3Å; E250-I254 WeakPolarHBondContact O-CG1 3.4Å; E250-I254 PolarHBondContact O-N 2.88Å; K252-I254 PolarHBondContact O-N 2.96Å; I254-K256 PolarHBondContact O-N 2.94Å; I254-S257 PolarHBondContact O-N 3.17Å; I254-S257 VanDerWaalsContact O-N 3.09Å; I254-S257 PolarHBondContact O-OG 3.14Å |
| 255 | N | 74.3 | Confident | 79.2 | Confident | 34 Ų | 34 | 40.1 Ų | 40.1 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -24.2 | 178 | -91 | -68.5 | 0 | 0 | 0 | 113.7 | E236 V238 A251 K252 S257 L258 S259 | E236-N255 PolarHBondContact O-ND2 2.68Å; V238-N255 HydrophobicContact CG2-CB 4.34Å; V238-N255 WeakPolarHBondContact CG2-ND2 3.29Å; A251-N255 WeakPolarHBondContact O-CB 3.5Å; A251-N255 PolarHBondContact O-N 3.36Å; A251-N255 VanDerWaalsContact O-N 3.12Å; A251-N255 PolarHBondContact O-ND2 3.08Å; K252-N255 CarbonylContact O-C 3.58Å; K252-N255 PolarHBondContact O-N 3.26Å; N255-S257 VanDerWaalsContact C-N 3.28Å; N255-S257 PolarHBondContact O-N 2.88Å; N255-L258 PolarHBondContact O-N 3.33Å; N255-S259 VanDerWaalsContact O-CB 3.3Å; N255-S259 WeakPolarHBondContact O-CB 3.41Å; N255-S259 PolarHBondContact O-N 3.42Å; N255-S259 PolarHBondContact O-OG 3.09Å |
| 256 | K | 82.8 | Confident | 79.9 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -52.4 | -49.1 | 170.1 | -177 | -156.3 | 166 | -158.1 | 0 | 110.3 | D140 K252 N253 I254 S259 S260 D279 | D140-K256 IonicContact OD2-NZ 3.78Å; D140-K256 PolarHBondContact OD2-NZ 3.07Å; K252-K256 PolarHBondContact O-N 3.38Å; N253-K256 WeakPolarHBondContact O-CB 3.47Å; I254-K256 PolarHBondContact O-N 2.94Å; K256-S259 WeakPolarHBondContact O-CB 3.37Å; K256-S259 PolarHBondContact O-N 3.31Å; K256-S259 VanDerWaalsContact O-N 3.17Å; K256-S260 PolarHBondContact O-N 3.17Å; K256-S260 PolarHBondContact O-OG 2.78Å; K256-S260 VanDerWaalsContact O-OG 3.13Å; K256-D279 WeakPolarHBondContact CE-O 3.42Å; K256-D279 PolarHBondContact NZ-O 3.47Å |
| 257 | S | 84.7 | Confident | 81.2 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | -175.7 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | I254 N255 S260 L261 M282 | I254-S257 PolarHBondContact O-N 3.17Å; I254-S257 VanDerWaalsContact O-N 3.09Å; I254-S257 PolarHBondContact O-OG 3.14Å; N255-S257 VanDerWaalsContact C-N 3.28Å; N255-S257 PolarHBondContact O-N 2.88Å; S257-S260 PolarHBondContact O-N 2.91Å; S257-L261 WeakPolarHBondContact O-CB 3.42Å; S257-L261 PolarHBondContact O-N 2.82Å; S257-M282 VanDerWaalsContact OG-CE 3.27Å; S257-M282 WeakPolarHBondContact OG-CE 3.42Å |
| 258 | L | 86.6 | Confident | 82.4 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.5 | -31.4 | 170.9 | -68.8 | -177.6 | 0 | 0 | 0 | 113 | Y84 H205 L232 G234 N255 L261 G262 | Y84-L258 HydrophobicContact CD2-CD2 4.47Å; Y84-L258 HydrophobicContact CE2-CD2 4.17Å; H205-L258 WeakPolarHBondContact NE2-CD1 3.38Å; H205-L258 WeakPolarHBondContact NE2-CD2 3.47Å; H205-L258 WeakPolarHBondContact NE2-CG 3.33Å; L232-L258 HydrophobicContact CB-CD2 4.35Å; L232-L258 HydrophobicContact CD1-CD2 4.25Å; G234-L258 VanDerWaalsContact O-CD1 3.32Å; G234-L258 WeakPolarHBondContact O-CD1 3.22Å; N255-L258 PolarHBondContact O-N 3.33Å; L258-L261 HydrophobicContact CD2-CD2 4.23Å; L258-L261 PolarHBondContact O-N 2.68Å; L258-G262 PolarHBondContact O-N 3.29Å |
| 259 | S | 86.9 | Confident | 83.2 | Confident | 62 Ų | 62 | 33.4 Ų | 33.4 | 43% | 0.434 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.6 | -43 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | N255 K256 L261 G262 N263 | N255-S259 VanDerWaalsContact O-CB 3.3Å; N255-S259 WeakPolarHBondContact O-CB 3.41Å; N255-S259 PolarHBondContact O-N 3.42Å; N255-S259 PolarHBondContact O-OG 3.09Å; K256-S259 WeakPolarHBondContact O-CB 3.37Å; K256-S259 PolarHBondContact O-N 3.31Å; K256-S259 VanDerWaalsContact O-N 3.17Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 3.34Å; S259-G262 CarbonylContact O-C 3.59Å; S259-G262 PolarHBondContact O-N 2.87Å; S259-N263 VanDerWaalsContact O-CG 3.26Å; S259-N263 PolarHBondContact O-N 3.48Å; S259-N263 PolarHBondContact O-OD1 3.38Å |
| 260 | S | 91.1 | Very high | 84.1 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 170.4 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | K256 S257 N263 V264 D279 | K256-S260 PolarHBondContact O-N 3.17Å; K256-S260 PolarHBondContact O-OG 2.78Å; K256-S260 VanDerWaalsContact O-OG 3.13Å; S257-S260 PolarHBondContact O-N 2.91Å; S260-N263 PolarHBondContact O-N 2.92Å; S260-V264 WeakPolarHBondContact O-CB 3.48Å; S260-V264 WeakPolarHBondContact O-CG2 3.25Å; S260-V264 PolarHBondContact O-N 3.05Å; S260-D279 VanDerWaalsContact OG-CB 3.27Å; S260-D279 WeakPolarHBondContact OG-CB 3.47Å |
| 261 | L | 91.1 | Very high | 84.9 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.3 | 179.6 | 62.8 | 0 | 0 | 0 | 111.9 | L232 S257 L258 S259 V264 I265 M282 T283 L290 F318 | L232-L261 HydrophobicContact CD1-CD2 3.88Å; S257-L261 WeakPolarHBondContact O-CB 3.42Å; S257-L261 PolarHBondContact O-N 2.82Å; L258-L261 HydrophobicContact CD2-CD2 4.23Å; L258-L261 PolarHBondContact O-N 2.68Å; S259-L261 VanDerWaalsContact C-N 3.31Å; S259-L261 PolarHBondContact O-N 3.34Å; L261-V264 PolarHBondContact O-N 3.09Å; L261-I265 HydrophobicContact CD1-CD1 4.03Å; L261-I265 HydrophobicContact CG-CD1 4.06Å; L261-I265 WeakPolarHBondContact O-CB 3.31Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.33Å; L261-M282 HydrophobicContact CD2-SD 4.3Å; L261-T283 HydrophobicContact CB-CG2 4.15Å; L261-T283 HydrophobicContact CD1-CG2 4.47Å; L261-L290 HydrophobicContact CD1-CD1 3.47Å; L261-L290 VanDerWaalsContact CD1-CD1 3.47Å; L261-F318 HydrophobicContact CD2-CZ 4.29Å; L261-F318 HydrophobicContact CG-CZ 4.45Å |
| 262 | G | 90 | Very high | 85.8 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L258 S259 S266 | L258-G262 PolarHBondContact O-N 3.29Å; S259-G262 CarbonylContact O-C 3.59Å; S259-G262 PolarHBondContact O-N 2.87Å; G262-S266 WeakPolarHBondContact O-CB 3.46Å; G262-S266 PolarHBondContact O-N 2.84Å; G262-S266 PolarHBondContact O-OG 3.14Å |
| 263 | N | 91.1 | Very high | 86.4 | Confident | 86 Ų | 86 | 41 Ų | 41 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 174.3 | -70.5 | -6.2 | 0 | 0 | 0 | 111 | S259 S260 I265 S266 A267 P276 | S259-N263 VanDerWaalsContact O-CG 3.26Å; S259-N263 PolarHBondContact O-N 3.48Å; S259-N263 PolarHBondContact O-OD1 3.38Å; S260-N263 PolarHBondContact O-N 2.92Å; N263-I265 VanDerWaalsContact C-N 3.34Å; N263-I265 PolarHBondContact O-N 2.62Å; N263-S266 PolarHBondContact O-N 3.28Å; N263-A267 VanDerWaalsContact O-CB 3.26Å; N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 3.26Å; N263-P276 HydrophobicContact CB-CG 4.21Å |
| 264 | V | 94 | Very high | 87.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 174.4 | 163.1 | 0 | 0 | 0 | 0 | 111.2 | S260 L261 S266 A267 L268 I275 P276 Y277 T283 L290 | S260-V264 WeakPolarHBondContact O-CB 3.48Å; S260-V264 WeakPolarHBondContact O-CG2 3.25Å; S260-V264 PolarHBondContact O-N 3.05Å; L261-V264 PolarHBondContact O-N 3.09Å; V264-S266 PolarHBondContact O-N 2.9Å; V264-A267 PolarHBondContact O-N 3.31Å; V264-L268 HydrophobicContact CG1-CD1 3.89Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.32Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.01Å; V264-I275 HydrophobicContact CB-CG2 4.25Å; V264-I275 HydrophobicContact CG1-CG2 3.85Å; V264-I275 HydrophobicContact CG2-CG2 4.13Å; V264-P276 HydrophobicContact CG2-CG 4.1Å; V264-Y277 HydrophobicContact CG1-CD1 3.8Å; V264-Y277 HydrophobicContact CG1-CE1 3.52Å; V264-Y277 HydrophobicContact CG2-CD1 4.05Å; V264-T283 HydrophobicContact CB-CG2 4.45Å; V264-T283 HydrophobicContact CG2-CG2 3.95Å; V264-L290 HydrophobicContact CG1-CD1 4.17Å |
| 265 | I | 91.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178.1 | -79.1 | 167.7 | 0 | 0 | 0 | 112.1 | L261 N263 A269 F318 R321 A322 I325 | L261-I265 HydrophobicContact CD1-CD1 4.03Å; L261-I265 HydrophobicContact CG-CD1 4.06Å; L261-I265 WeakPolarHBondContact O-CB 3.31Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.33Å; N263-I265 VanDerWaalsContact C-N 3.34Å; N263-I265 PolarHBondContact O-N 2.62Å; I265-A269 VanDerWaalsContact O-CB 3.28Å; I265-A269 WeakPolarHBondContact O-CB 3.49Å; I265-A269 PolarHBondContact O-N 3.46Å; I265-F318 HydrophobicContact CD1-CE1 4.26Å; I265-F318 HydrophobicContact CD1-CE2 3.54Å; I265-F318 HydrophobicContact CD1-CZ 3.36Å; I265-R321 HydrophobicContact CG2-CB 3.89Å; I265-A322 HydrophobicContact CD1-CB 4.34Å; I265-A322 HydrophobicContact CG2-CB 4.14Å; I265-I325 HydrophobicContact CB-CD1 4.1Å; I265-I325 HydrophobicContact CG1-CD1 3.87Å; I265-I325 HydrophobicContact CG2-CD1 4.05Å |
| 266 | S | 89.1 | Confident | 89.3 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -44.7 | 178.6 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | G262 N263 V264 L268 A269 E270 R321 | G262-S266 WeakPolarHBondContact O-CB 3.46Å; G262-S266 PolarHBondContact O-N 2.84Å; G262-S266 PolarHBondContact O-OG 3.14Å; N263-S266 PolarHBondContact O-N 3.28Å; V264-S266 PolarHBondContact O-N 2.9Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 3.14Å; S266-A269 PolarHBondContact O-N 3.33Å; S266-A269 VanDerWaalsContact O-N 3.16Å; S266-E270 VanDerWaalsContact O-CB 3.32Å; S266-E270 WeakPolarHBondContact O-CB 3.21Å; S266-E270 VanDerWaalsContact O-CG 3.28Å; S266-E270 WeakPolarHBondContact O-CG 3.45Å; S266-E270 PolarHBondContact O-N 3.23Å; S266-R321 PolarHBondContact OG-NH1 3.34Å |
| 267 | A | 92.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N263 V264 G271 T272 I275 | N263-A267 VanDerWaalsContact O-CB 3.26Å; N263-A267 WeakPolarHBondContact O-CB 3.42Å; N263-A267 PolarHBondContact O-N 3.26Å; V264-A267 PolarHBondContact O-N 3.31Å; A267-G271 PolarHBondContact O-N 3.01Å; A267-G271 VanDerWaalsContact O-N 3.11Å; A267-T272 WeakPolarHBondContact CB-OG1 3.32Å; A267-T272 PolarHBondContact O-N 3.44Å; A267-T272 PolarHBondContact O-OG1 3Å; A267-T272 VanDerWaalsContact O-OG1 3.09Å; A267-I275 HydrophobicContact CB-CD1 3.73Å; A267-I275 HydrophobicContact CB-CG2 4.48Å |
| 268 | L | 90.9 | Very high | 90.2 | Very high | 31 Ų | 31 | 49.8 Ų | 49.8 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 174.4 | -77.3 | 168.7 | 0 | 0 | 0 | 112.5 | V264 S266 E270 G271 I275 L290 I325 | V264-L268 HydrophobicContact CG1-CD1 3.89Å; V264-L268 WeakPolarHBondContact O-CB 3.35Å; V264-L268 VanDerWaalsContact O-CG 3.32Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.01Å; S266-L268 VanDerWaalsContact C-N 3.31Å; S266-L268 PolarHBondContact O-N 3.14Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 2.93Å; L268-G271 PolarHBondContact O-N 3.4Å; L268-I275 HydrophobicContact CD1-CG2 4.47Å; L268-I275 HydrophobicContact CD2-CD1 3.82Å; L268-I275 HydrophobicContact CD2-CG1 3.86Å; L268-I275 HydrophobicContact CD2-CG2 4.45Å; L268-I275 HydrophobicContact CG-CD1 3.93Å; L268-I275 HydrophobicContact CG-CG1 4.22Å; L268-I275 HydrophobicContact CG-CG2 4.05Å; L268-L290 HydrophobicContact CD1-CB 3.84Å; L268-I325 HydrophobicContact CB-CD1 3.78Å; L268-I325 HydrophobicContact CB-CG1 3.82Å; L268-I325 HydrophobicContact CB-CG2 4.1Å; L268-I325 HydrophobicContact CD1-CD1 4.08Å; L268-I325 HydrophobicContact CD1-CG2 4.12Å |
| 269 | A | 87.3 | Confident | 90.4 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 31% | 0.306 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.4 | -30.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I265 S266 T324 | I265-A269 VanDerWaalsContact O-CB 3.28Å; I265-A269 WeakPolarHBondContact O-CB 3.49Å; I265-A269 PolarHBondContact O-N 3.46Å; S266-A269 PolarHBondContact O-N 3.33Å; S266-A269 VanDerWaalsContact O-N 3.16Å; A269-T324 VanDerWaalsContact CB-OG1 3.3Å; A269-T324 WeakPolarHBondContact CB-OG1 3.32Å |
| 270 | E | 88.1 | Confident | 90.6 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -6.9 | 175.7 | -69.7 | 163.6 | -150.3 | 0 | 0 | 112.8 | S266 L268 T272 | S266-E270 VanDerWaalsContact O-CB 3.32Å; S266-E270 WeakPolarHBondContact O-CB 3.21Å; S266-E270 VanDerWaalsContact O-CG 3.28Å; S266-E270 WeakPolarHBondContact O-CG 3.45Å; S266-E270 PolarHBondContact O-N 3.23Å; L268-E270 VanDerWaalsContact C-N 3.31Å; L268-E270 PolarHBondContact O-N 2.93Å; E270-T272 HydrophobicContact CB-CG2 4.07Å; E270-T272 PolarHBondContact O-N 3.27Å |
| 271 | G | 85.6 | Confident | 90.6 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 24.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A267 L268 | A267-G271 PolarHBondContact O-N 3.01Å; A267-G271 VanDerWaalsContact O-N 3.11Å; L268-G271 PolarHBondContact O-N 3.4Å |
| 272 | T | 88.6 | Confident | 90.6 | Very high | 56 Ų | 56 | 51 Ų | 51 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | trans | -70.6 | 135.1 | -174.6 | 63.1 | 0 | 0 | 0 | 0 | 112 | A267 E270 Y274 I275 | A267-T272 WeakPolarHBondContact CB-OG1 3.32Å; A267-T272 PolarHBondContact O-N 3.44Å; A267-T272 PolarHBondContact O-OG1 3Å; A267-T272 VanDerWaalsContact O-OG1 3.09Å; E270-T272 HydrophobicContact CB-CG2 4.07Å; E270-T272 PolarHBondContact O-N 3.27Å; T272-Y274 PolarHBondContact O-N 3.48Å; T272-Y274 VanDerWaalsContact O-N 3.1Å; T272-Y274 PolarHBondContact OG1-O 3.3Å; T272-I275 WeakPolarHBondContact O-CD1 3.28Å | ||
| 273 | A | 85.7 | Confident | 90.7 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 98% | 0.983 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -65.3 | -15.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 274 | Y | 91.3 | Very high | 90.8 | Very high | 161 Ų | 161 | 48.5 Ų | 48.5 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | trans | -118.7 | 121.4 | 171 | 174.1 | -94.3 | 0 | 0 | 0 | 109.7 | T272 P276 | T272-Y274 PolarHBondContact O-N 3.48Å; T272-Y274 VanDerWaalsContact O-N 3.1Å; T272-Y274 PolarHBondContact OG1-O 3.3Å; Y274-P276 HydrophobicContact CE1-CB 4.12Å | ||
| 275 | I | 93.2 | Very high | 90.7 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | trans | -107.4 | 127.8 | 177.8 | -51 | -59.7 | 0 | 0 | 0 | 109.3 | V264 A267 L268 T272 Y277 | V264-I275 HydrophobicContact CB-CG2 4.25Å; V264-I275 HydrophobicContact CG1-CG2 3.85Å; V264-I275 HydrophobicContact CG2-CG2 4.13Å; A267-I275 HydrophobicContact CB-CD1 3.73Å; A267-I275 HydrophobicContact CB-CG2 4.48Å; L268-I275 HydrophobicContact CD1-CG2 4.47Å; L268-I275 HydrophobicContact CD2-CD1 3.82Å; L268-I275 HydrophobicContact CD2-CG1 3.86Å; L268-I275 HydrophobicContact CD2-CG2 4.45Å; L268-I275 HydrophobicContact CG-CD1 3.93Å; L268-I275 HydrophobicContact CG-CG1 4.22Å; L268-I275 HydrophobicContact CG-CG2 4.05Å; T272-I275 WeakPolarHBondContact O-CD1 3.28Å; I275-Y277 HydrophobicContact CB-CD2 3.96Å; I275-Y277 HydrophobicContact CB-CE2 3.48Å; I275-Y277 VanDerWaalsContact CB-CE2 3.48Å; I275-Y277 HydrophobicContact CG1-CE2 4.22Å; I275-Y277 HydrophobicContact CG2-CD1 4.12Å; I275-Y277 HydrophobicContact CG2-CD2 3.98Å; I275-Y277 HydrophobicContact CG2-CE1 3.68Å; I275-Y277 HydrophobicContact CG2-CE2 3.56Å; I275-Y277 HydrophobicContact CG2-CG 4.24Å; I275-Y277 PolarHBondContact O-N 3.29Å | ||
| 276 | P | 93.5 | Very high | 90.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -80.1 | 48.7 | -170.5 | 33.5 | -37.8 | 0 | 0 | 0 | 114.1 | N263 V264 Y274 R278 D279 | N263-P276 HydrophobicContact CB-CG 4.21Å; V264-P276 HydrophobicContact CG2-CG 4.1Å; Y274-P276 HydrophobicContact CE1-CB 4.12Å; P276-R278 PolarHBondContact O-N 3.38Å; P276-D279 PolarHBondContact O-N 3.19Å | ||
| 277 | Y | 93.2 | Very high | 90.5 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -55.8 | -26.2 | 179.7 | -61.9 | -67.8 | 0 | 0 | 0 | 113.5 | V264 I275 D279 T283 R284 Q287 L290 | V264-Y277 HydrophobicContact CG1-CD1 3.8Å; V264-Y277 HydrophobicContact CG1-CE1 3.52Å; V264-Y277 HydrophobicContact CG2-CD1 4.05Å; I275-Y277 HydrophobicContact CB-CD2 3.96Å; I275-Y277 HydrophobicContact CB-CE2 3.48Å; I275-Y277 VanDerWaalsContact CB-CE2 3.48Å; I275-Y277 HydrophobicContact CG1-CE2 4.22Å; I275-Y277 HydrophobicContact CG2-CD1 4.12Å; I275-Y277 HydrophobicContact CG2-CD2 3.98Å; I275-Y277 HydrophobicContact CG2-CE1 3.68Å; I275-Y277 HydrophobicContact CG2-CE2 3.56Å; I275-Y277 HydrophobicContact CG2-CG 4.24Å; I275-Y277 PolarHBondContact O-N 3.29Å; Y277-D279 VanDerWaalsContact C-N 3.34Å; Y277-D279 PolarHBondContact O-N 3.24Å; Y277-T283 CarbonylContact O-C 3.46Å; Y277-T283 VanDerWaalsContact O-C 3.26Å; Y277-T283 VanDerWaalsContact O-CB 3.26Å; Y277-T283 WeakPolarHBondContact O-CB 3.32Å; Y277-T283 PolarHBondContact O-OG1 2.78Å; Y277-R284 WeakPolarHBondContact O-CG 3.44Å; Y277-R284 PolarHBondContact O-N 2.79Å; Y277-R284 VanDerWaalsContact O-N 3.12Å; Y277-Q287 HydrophobicContact CD1-CB 3.92Å; Y277-Q287 HydrophobicContact CD1-CG 3.93Å; Y277-Q287 HydrophobicContact CD2-CB 4.43Å; Y277-Q287 HydrophobicContact CD2-CG 3.63Å; Y277-Q287 HydrophobicContact CE1-CB 4.33Å; Y277-Q287 HydrophobicContact CE1-CG 4.12Å; Y277-Q287 HydrophobicContact CE2-CG 3.79Å; Y277-Q287 HydrophobicContact CG-CB 4Å; Y277-Q287 HydrophobicContact CG-CG 3.7Å; Y277-L290 PolarHBondContact OH-O 3.17Å |
| 278 | R | 92.3 | Very high | 90.2 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 59% | 0.585 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -79.4 | -6.3 | -174.7 | -69.6 | -171.4 | 165.5 | -173 | -4.3 | 115.4 | E157 P276 S280 R284 | E157-R278 VanDerWaalsContact CD-NH2 3.33Å; E157-R278 IonicContact OE1-CZ 2.63Å; E157-R278 IonicContact OE1-NE 2.64Å; E157-R278 IonicContact OE1-NH2 3.83Å; E157-R278 PolarHBondContact OE1-NH2 3.35Å; E157-R278 IonicContact OE2-NH2 3.72Å; E157-R278 PolarHBondContact OE2-NH2 3.11Å; P276-R278 PolarHBondContact O-N 3.38Å; R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.84Å; R278-R284 HydrophobicContact CB-CG 4.49Å; R278-R284 HydrophobicContact CG-CG 4.15Å |
| 279 | D | 90.9 | Very high | 90 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -66.2 | -25.1 | -177.2 | -70 | 11.2 | 0 | 0 | 0 | 113.9 | K256 S260 P276 Y277 | K256-D279 WeakPolarHBondContact CE-O 3.42Å; K256-D279 PolarHBondContact NZ-O 3.47Å; S260-D279 VanDerWaalsContact OG-CB 3.27Å; S260-D279 WeakPolarHBondContact OG-CB 3.47Å; P276-D279 PolarHBondContact O-N 3.19Å; Y277-D279 VanDerWaalsContact C-N 3.34Å; Y277-D279 PolarHBondContact O-N 3.24Å |
| 280 | S | 92.1 | Very high | 90 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -141.3 | 158 | 173.8 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | R278 M282 T283 R284 | R278-S280 VanDerWaalsContact C-N 3.26Å; R278-S280 PolarHBondContact O-N 2.84Å; S280-M282 VanDerWaalsContact C-N 3.26Å; S280-M282 PolarHBondContact O-N 3.16Å; S280-M282 PolarHBondContact OG-N 3.24Å; S280-T283 PolarHBondContact N-OG1 2.82Å; S280-T283 PolarHBondContact O-OG1 3.37Å; S280-T283 VanDerWaalsContact O-OG1 3.08Å; S280-T283 PolarHBondContact OG-N 3.04Å; S280-T283 VanDerWaalsContact OG-N 3.07Å; S280-T283 PolarHBondContact OG-OG1 3.21Å; S280-R284 PolarHBondContact O-N 3.49Å |
| 281 | K | 91.6 | Very high | 89.6 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -33 | 172.7 | -68 | -172.3 | -167.4 | 167.3 | 0 | 112.4 | D140 I142 N152 L153 V155 R284 I285 | D140-K281 WeakPolarHBondContact O-CD 3.31Å; D140-K281 WeakPolarHBondContact O-CE 3.31Å; D140-K281 PolarHBondContact O-NZ 2.72Å; D140-K281 WeakPolarHBondContact OD1-CB 3.47Å; D140-K281 PolarHBondContact OD1-N 2.98Å; I142-K281 HydrophobicContact CD1-CB 4.21Å; I142-K281 HydrophobicContact CD1-CD 3.76Å; I142-K281 HydrophobicContact CG1-CB 4.4Å; I142-K281 HydrophobicContact CG1-CD 3.88Å; N152-K281 PolarHBondContact OD1-NZ 3.35Å; L153-K281 PolarHBondContact O-NZ 2.84Å; V155-K281 HydrophobicContact CG2-CB 3.97Å; V155-K281 HydrophobicContact CG2-CD 4.45Å; V155-K281 HydrophobicContact CG2-CG 4.25Å; K281-R284 PolarHBondContact O-N 2.92Å; K281-I285 WeakPolarHBondContact O-CG1 3.45Å; K281-I285 PolarHBondContact O-N 2.92Å; K281-I285 VanDerWaalsContact O-N 3.08Å |
| 282 | M | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -53 | 178.4 | -171.2 | -147.4 | -63 | 0 | 0 | 111 | I137 H205 L232 S257 L261 S280 R284 I285 L286 | I137-M282 HydrophobicContact CD1-CB 3.79Å; I137-M282 HydrophobicContact CD1-CG 4.07Å; H205-M282 HydrophobicContact CB-CE 4.29Å; H205-M282 VanDerWaalsContact CE1-CE 3.45Å; H205-M282 WeakPolarHBondContact CE1-CE 3.49Å; H205-M282 WeakPolarHBondContact ND1-CE 3.32Å; L232-M282 HydrophobicContact CD2-CE 3.99Å; L232-M282 HydrophobicContact CD2-SD 3.79Å; S257-M282 VanDerWaalsContact OG-CE 3.27Å; S257-M282 WeakPolarHBondContact OG-CE 3.42Å; L261-M282 HydrophobicContact CD2-SD 4.3Å; S280-M282 VanDerWaalsContact C-N 3.26Å; S280-M282 PolarHBondContact O-N 3.16Å; S280-M282 PolarHBondContact OG-N 3.24Å; M282-R284 PolarHBondContact O-N 3.05Å; M282-I285 PolarHBondContact O-N 2.96Å; M282-L286 HydrophobicContact CG-CD1 3.59Å; M282-L286 HydrophobicContact CG-CG 4.33Å; M282-L286 VanDerWaalsContact O-CG 3.3Å; M282-L286 WeakPolarHBondContact O-CG 3.42Å; M282-L286 PolarHBondContact O-N 2.79Å; M282-L286 HydrophobicContact SD-CD1 3.82Å |
| 283 | T | 92.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -24.4 | 179.1 | 45.7 | 0 | 0 | 0 | 0 | 113.4 | L261 V264 Y277 S280 Q287 | L261-T283 HydrophobicContact CB-CG2 4.15Å; L261-T283 HydrophobicContact CD1-CG2 4.47Å; V264-T283 HydrophobicContact CB-CG2 4.45Å; V264-T283 HydrophobicContact CG2-CG2 3.95Å; Y277-T283 CarbonylContact O-C 3.46Å; Y277-T283 VanDerWaalsContact O-C 3.26Å; Y277-T283 VanDerWaalsContact O-CB 3.26Å; Y277-T283 WeakPolarHBondContact O-CB 3.32Å; Y277-T283 PolarHBondContact O-OG1 2.78Å; S280-T283 PolarHBondContact N-OG1 2.82Å; S280-T283 PolarHBondContact O-OG1 3.37Å; S280-T283 VanDerWaalsContact O-OG1 3.08Å; S280-T283 PolarHBondContact OG-N 3.04Å; S280-T283 VanDerWaalsContact OG-N 3.07Å; S280-T283 PolarHBondContact OG-OG1 3.21Å; T283-Q287 PolarHBondContact O-N 2.87Å |
| 284 | R | 92.7 | Very high | 89.9 | Confident | 48 Ų | 48 | 34 Ų | 34 | 18% | 0.181 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.2 | -40.4 | 169.4 | -68 | -174 | 68.6 | -143.4 | -5.6 | 112.9 | V155 E157 P163 Y277 R278 S280 K281 M282 Q287 | V155-R284 HydrophobicContact CG1-CB 4.03Å; V155-R284 PolarHBondContact O-NH1 3.42Å; V155-R284 PolarHBondContact O-NH2 2.9Å; E157-R284 IonicContact OE1-CZ 2.63Å; E157-R284 IonicContact OE1-NE 2.68Å; E157-R284 IonicContact OE1-NH2 2.82Å; E157-R284 PolarHBondContact OE1-NH2 3.46Å; P163-R284 WeakPolarHBondContact CB-O 3.37Å; P163-R284 WeakPolarHBondContact CG-O 3.49Å; Y277-R284 WeakPolarHBondContact O-CG 3.44Å; Y277-R284 PolarHBondContact O-N 2.79Å; Y277-R284 VanDerWaalsContact O-N 3.12Å; R278-R284 HydrophobicContact CB-CG 4.49Å; R278-R284 HydrophobicContact CG-CG 4.15Å; S280-R284 PolarHBondContact O-N 3.49Å; K281-R284 PolarHBondContact O-N 2.92Å; M282-R284 PolarHBondContact O-N 3.05Å; R284-Q287 WeakPolarHBondContact O-CB 3.33Å |
| 285 | I | 91.4 | Very high | 90 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.3 | -67.5 | 161.4 | 0 | 0 | 0 | 110.3 | F135 I137 I142 V155 V165 Y228 K281 M282 Q287 | F135-I285 HydrophobicContact CE2-CD1 3.97Å; F135-I285 HydrophobicContact CZ-CD1 4.36Å; F135-I285 HydrophobicContact CZ-CG2 4.47Å; I137-I285 HydrophobicContact CD1-CD1 3.99Å; I142-I285 HydrophobicContact CD1-CD1 3.82Å; I142-I285 HydrophobicContact CG1-CD1 4.47Å; V155-I285 HydrophobicContact CG1-CG1 4.05Å; V155-I285 HydrophobicContact CG2-CD1 3.89Å; V155-I285 HydrophobicContact CG2-CG1 3.7Å; V165-I285 HydrophobicContact CG2-CD1 3.69Å; V165-I285 HydrophobicContact CG2-CG1 4.06Å; Y228-I285 HydrophobicContact CE1-CG2 4.11Å; K281-I285 WeakPolarHBondContact O-CG1 3.45Å; K281-I285 PolarHBondContact O-N 2.92Å; K281-I285 VanDerWaalsContact O-N 3.08Å; M282-I285 PolarHBondContact O-N 2.96Å; I285-Q287 PolarHBondContact O-N 2.9Å |
| 286 | L | 86.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 9.3 | -178.1 | -56.4 | 172.2 | 0 | 0 | 0 | 113.8 | F82 V230 M282 D288 S289 L290 | F82-L286 HydrophobicContact CE1-CD1 3.48Å; F82-L286 VanDerWaalsContact CE1-CD1 3.48Å; F82-L286 HydrophobicContact CE1-CD2 3.71Å; F82-L286 HydrophobicContact CE1-CG 4.15Å; F82-L286 HydrophobicContact CZ-CB 4.38Å; F82-L286 HydrophobicContact CZ-CD1 3.83Å; F82-L286 HydrophobicContact CZ-CD2 3.81Å; F82-L286 HydrophobicContact CZ-CG 4.21Å; V230-L286 HydrophobicContact CG2-CD2 4.07Å; M282-L286 HydrophobicContact CG-CD1 3.59Å; M282-L286 HydrophobicContact CG-CG 4.33Å; M282-L286 VanDerWaalsContact O-CG 3.3Å; M282-L286 WeakPolarHBondContact O-CG 3.42Å; M282-L286 PolarHBondContact O-N 2.79Å; M282-L286 HydrophobicContact SD-CD1 3.82Å; L286-D288 PolarHBondContact O-N 3.31Å; L286-S289 WeakPolarHBondContact O-CA 3.39Å; L286-S289 VanDerWaalsContact O-CB 3.3Å; L286-S289 WeakPolarHBondContact O-CB 3.34Å; L286-S289 PolarHBondContact O-N 2.76Å; L286-L290 HydrophobicContact CB-CD1 4.49Å; L286-L290 PolarHBondContact O-N 3.27Å |
| 287 | Q | 90.4 | Very high | 90.3 | Very high | 61 Ų | 61 | 27 Ų | 27 | 29% | 0.285 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -28.8 | -178.3 | 175.8 | 174.6 | -28.4 | 0 | 0 | 112.4 | P163 Y277 T283 R284 I285 | P163-Q287 HydrophobicContact CG-CB 4.41Å; Y277-Q287 HydrophobicContact CD1-CB 3.92Å; Y277-Q287 HydrophobicContact CD1-CG 3.93Å; Y277-Q287 HydrophobicContact CD2-CB 4.43Å; Y277-Q287 HydrophobicContact CD2-CG 3.63Å; Y277-Q287 HydrophobicContact CE1-CB 4.33Å; Y277-Q287 HydrophobicContact CE1-CG 4.12Å; Y277-Q287 HydrophobicContact CE2-CG 3.79Å; Y277-Q287 HydrophobicContact CG-CB 4Å; Y277-Q287 HydrophobicContact CG-CG 3.7Å; T283-Q287 PolarHBondContact O-N 2.87Å; R284-Q287 WeakPolarHBondContact O-CB 3.33Å; I285-Q287 PolarHBondContact O-N 2.9Å |
| 288 | D | 85.8 | Confident | 90.5 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -27.3 | 173.9 | -155.6 | 40.5 | 0 | 0 | 0 | 112 | N78 L286 G292 N293 C294 | N78-D288 PolarHBondContact ND2-OD2 3.26Å; L286-D288 PolarHBondContact O-N 3.31Å; D288-G292 CarbonylContact O-C 3.6Å; D288-G292 VanDerWaalsContact O-CA 3.22Å; D288-G292 WeakPolarHBondContact O-CA 3.49Å; D288-N293 PolarHBondContact O-N 2.81Å; D288-N293 WeakPolarHBondContact OD1-CA 3.21Å; D288-N293 WeakPolarHBondContact OD1-CB 3.35Å; D288-N293 PolarHBondContact OD1-N 3.42Å; D288-C294 WeakPolarHBondContact O-CB 3.25Å |
| 289 | S | 86.4 | Confident | 90.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.5 | -179.5 | -48.8 | 0 | 0 | 0 | 0 | 114.4 | T80 L286 T296 N327 | T80-S289 WeakPolarHBondContact OG1-CB 3.3Å; T80-S289 PolarHBondContact OG1-OG 3Å; L286-S289 WeakPolarHBondContact O-CA 3.39Å; L286-S289 VanDerWaalsContact O-CB 3.3Å; L286-S289 WeakPolarHBondContact O-CB 3.34Å; L286-S289 PolarHBondContact O-N 2.76Å; S289-T296 PolarHBondContact O-OG1 2.82Å; S289-N327 PolarHBondContact O-ND2 3.45Å |
| 290 | L | 86.8 | Confident | 91.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.2 | 109.1 | -172.1 | -58.5 | 171.6 | 0 | 0 | 0 | 108 | I9 F82 L261 V264 L268 Y277 L286 G292 | I9-L290 HydrophobicContact CD1-CD2 3.72Å; F82-L290 HydrophobicContact CE2-CD2 4.08Å; F82-L290 HydrophobicContact CZ-CD2 4.48Å; L261-L290 HydrophobicContact CD1-CD1 3.47Å; L261-L290 VanDerWaalsContact CD1-CD1 3.47Å; V264-L290 HydrophobicContact CG1-CD1 4.17Å; L268-L290 HydrophobicContact CD1-CB 3.84Å; Y277-L290 PolarHBondContact OH-O 3.17Å; L286-L290 HydrophobicContact CB-CD1 4.49Å; L286-L290 PolarHBondContact O-N 3.27Å; L290-G292 PolarHBondContact O-N 3.09Å |
| 291 | G | 81.2 | Confident | 91.4 | Very high | 30 Ų | 30 | 15.3 Ų | 15.3 | 31% | 0.309 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 14.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N327 | G291-N327 PolarHBondContact N-OD1 2.96Š|
| 292 | G | 85.9 | Confident | 91.7 | Very high | 15 Ų | 15 | 13.4 Ų | 13.4 | 16% | 0.155 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -122.4 | -158.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D288 L290 C294 N327 T328 | D288-G292 CarbonylContact O-C 3.6Å; D288-G292 VanDerWaalsContact O-CA 3.22Å; D288-G292 WeakPolarHBondContact O-CA 3.49Å; L290-G292 PolarHBondContact O-N 3.09Å; G292-C294 VanDerWaalsContact C-N 3.34Å; G292-C294 PolarHBondContact O-N 2.82Å; G292-C294 VanDerWaalsContact O-N 3.13Å; G292-N327 WeakPolarHBondContact O-CB 3.4Å; G292-T328 PolarHBondContact O-N 3.09Å |
| 293 | N | 88.1 | Confident | 91.9 | Very high | 22 Ų | 22 | 13.4 Ų | 13.4 | 12% | 0.118 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -85.6 | 64.9 | -177.7 | -178.4 | 31.8 | 0 | 0 | 0 | 112.3 | N78 D288 T328 V329 T330 N332 | N78-N293 WeakPolarHBondContact CB-O 3.38Å; N78-N293 PolarHBondContact ND2-O 2.92Å; D288-N293 PolarHBondContact O-N 2.81Å; D288-N293 WeakPolarHBondContact OD1-CA 3.21Å; D288-N293 WeakPolarHBondContact OD1-CB 3.35Å; D288-N293 PolarHBondContact OD1-N 3.42Å; N293-T328 WeakPolarHBondContact CA-O 3.38Å; N293-V329 WeakPolarHBondContact OD1-CA 3.26Å; N293-T330 VanDerWaalsContact CG-OG1 3.26Å; N293-T330 PolarHBondContact ND2-O 3.25Å; N293-T330 PolarHBondContact ND2-OG1 2.85Å; N293-T330 PolarHBondContact OD1-N 3.49Å; N293-T330 PolarHBondContact OD1-O 3.1Å; N293-T330 VanDerWaalsContact OD1-O 3.12Å; N293-T330 PolarHBondContact OD1-OG1 3.48Å; N293-N332 PolarHBondContact ND2-OD1 2.8Å |
| 294 | C | 90.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | trans | -152.1 | 144.6 | -175.6 | -169.1 | 0 | 0 | 0 | 0 | 113.8 | N78 G79 T80 D288 G292 N327 | N78-C294 HydrophobicContact CB-CB 4.31Å; N78-C294 WeakPolarHBondContact O-CA 3.48Å; G79-C294 VanDerWaalsContact CA-SG 3.55Å; T80-C294 PolarHBondContact N-SG 3.23Å; T80-C294 VanDerWaalsContact N-SG 3.38Å; T80-C294 PolarHBondContact OG1-SG 2.96Å; D288-C294 WeakPolarHBondContact O-CB 3.25Å; G292-C294 VanDerWaalsContact C-N 3.34Å; G292-C294 PolarHBondContact O-N 2.82Å; G292-C294 VanDerWaalsContact O-N 3.13Å; C294-N327 VanDerWaalsContact O-CB 3.26Å; C294-N327 WeakPolarHBondContact O-CB 3.25Å; C294-N327 PolarHBondContact O-ND2 2.91Å | ||
| 295 | R | 93.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 11.1 Ų | 11.1 | 20% | 0.2 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.8 | 166.3 | -59.8 | -158.8 | -162.2 | -95.8 | 28.9 | 110.3 | I69 D72 N78 G79 T80 V329 | I69-R295 HydrophobicContact CG1-CB 4.32Å; D72-R295 IonicContact OD1-CZ 3.32Å; D72-R295 IonicContact OD1-NE 3.45Å; D72-R295 PolarHBondContact OD1-NE 3Å; D72-R295 IonicContact OD1-NH2 2.8Å; D72-R295 PolarHBondContact OD1-NH2 2.79Å; D72-R295 WeakPolarHBondContact OD2-CD 3.41Å; D72-R295 IonicContact OD2-NE 2.78Å; D72-R295 PolarHBondContact OD2-NE 2.83Å; N78-R295 PolarHBondContact O-N 2.86Å; G79-R295 CarbonylContact C-O 3.56Å; G79-R295 WeakPolarHBondContact CA-O 3.43Å; T80-R295 PolarHBondContact N-O 3.01Å; R295-V329 HydrophobicContact CG-CG1 3.91Å; R295-V329 HydrophobicContact CG-CG2 4.2Å |
| 296 | T | 95.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.5 | -168.1 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | I9 K10 T80 F82 S289 I298 N327 | I9-T296 HydrophobicContact CD1-CG2 4.29Å; I9-T296 HydrophobicContact CG2-CG2 3.97Å; K10-T296 PolarHBondContact N-O 3.21Å; T80-T296 WeakPolarHBondContact O-CA 3.29Å; F82-T296 HydrophobicContact CD2-CG2 3.8Å; F82-T296 HydrophobicContact CE2-CG2 3.62Å; S289-T296 PolarHBondContact O-OG1 2.82Å; T296-I298 HydrophobicContact CG2-CG1 4.36Å; T296-N327 PolarHBondContact OG1-ND2 2.86Å |
| 297 | T | 97.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132 | 166.5 | -64.9 | 0 | 0 | 0 | 0 | 109.4 | K10 M12 C65 I69 T80 I81 F82 V299 | K10-T297 CarbonylContact O-C 3.58Å; K10-T297 WeakPolarHBondContact O-CA 3.48Å; M12-T297 HydrophobicContact CG-CG2 3.96Å; C65-T297 HydrophobicContact CB-CG2 3.99Å; C65-T297 WeakPolarHBondContact O-CB 3.22Å; C65-T297 PolarHBondContact O-OG1 3.34Å; I69-T297 VanDerWaalsContact CD1-OG1 3.29Å; I69-T297 WeakPolarHBondContact CD1-OG1 3.27Å; T80-T297 PolarHBondContact O-N 2.86Å; I81-T297 WeakPolarHBondContact CA-O 3.31Å; F82-T297 PolarHBondContact N-O 3.06Å; T297-V299 HydrophobicContact CG2-CG2 4.12Å |
| 298 | I | 97.2 | Very high | 92.9 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.7 | 170.3 | -60.8 | 165 | 0 | 0 | 0 | 108.8 | I9 K10 V11 M12 F82 T296 I300 F318 A322 | I9-I298 HydrophobicContact CG2-CD1 3.73Å; I9-I298 HydrophobicContact CG2-CG1 4.1Å; K10-I298 PolarHBondContact O-N 3.06Å; V11-I298 CarbonylContact C-O 3.54Å; V11-I298 WeakPolarHBondContact CA-O 3.3Å; V11-I298 HydrophobicContact CG2-CB 4.41Å; M12-I298 PolarHBondContact N-O 2.74Å; F82-I298 HydrophobicContact CB-CB 4.41Å; F82-I298 HydrophobicContact CB-CG1 4.13Å; F82-I298 HydrophobicContact CB-CG2 4.27Å; F82-I298 HydrophobicContact CD2-CD1 4.5Å; F82-I298 HydrophobicContact CD2-CG1 3.65Å; F82-I298 HydrophobicContact CG-CG1 4.26Å; T296-I298 HydrophobicContact CG2-CG1 4.36Å; I298-I300 HydrophobicContact CG2-CG2 3.81Å; I298-F318 HydrophobicContact CG2-CE1 4.32Å; I298-A322 HydrophobicContact CD1-CB 3.52Å |
| 299 | V | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 102.6 | 173.2 | -166 | 0 | 0 | 0 | 0 | 109.3 | M12 R14 C65 F82 A83 Y84 T94 I107 T297 | M12-V299 CarbonylContact O-C 3.52Å; M12-V299 VanDerWaalsContact O-CA 3.31Å; M12-V299 WeakPolarHBondContact O-CA 3.05Å; R14-V299 HydrophobicContact CB-CG1 4.19Å; C65-V299 HydrophobicContact CB-CG2 4.15Å; F82-V299 PolarHBondContact O-N 3.08Å; A83-V299 WeakPolarHBondContact CA-O 3.36Å; Y84-V299 PolarHBondContact N-O 2.95Å; T94-V299 HydrophobicContact CG2-CG1 4.1Å; I107-V299 HydrophobicContact CD1-CG2 4.46Å; T297-V299 HydrophobicContact CG2-CG2 4.12Å |
| 300 | I | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.4 | 176.7 | 65.6 | 176 | 0 | 0 | 0 | 109.8 | V11 M12 C13 R14 F48 Y84 I298 T315 L316 F318 | V11-I300 HydrophobicContact CG1-CD1 4.25Å; V11-I300 HydrophobicContact CG1-CG1 4.43Å; V11-I300 HydrophobicContact CG1-CG2 4.21Å; M12-I300 PolarHBondContact O-N 2.76Å; C13-I300 WeakPolarHBondContact CA-O 3.04Å; C13-I300 HydrophobicContact CB-CD1 4.14Å; C13-I300 HydrophobicContact CB-CG1 3.85Å; R14-I300 PolarHBondContact N-O 2.73Å; F48-I300 HydrophobicContact CD1-CD1 4.15Å; F48-I300 HydrophobicContact CE1-CD1 3.54Å; F48-I300 HydrophobicContact CE2-CD1 4.41Å; F48-I300 HydrophobicContact CZ-CD1 3.7Å; Y84-I300 HydrophobicContact CD1-CG2 4.26Å; I298-I300 HydrophobicContact CG2-CG2 3.81Å; I300-T315 HydrophobicContact CB-CG2 3.82Å; I300-L316 HydrophobicContact CD1-CD2 4.12Å; I300-F318 HydrophobicContact CG2-CD1 4.33Å |
| 301 | C | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.5 | -176.2 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | R14 Y84 S89 K91 | R14-C301 CarbonylContact O-C 3.56Å; R14-C301 WeakPolarHBondContact O-CA 3.43Å; Y84-C301 PolarHBondContact O-N 3.28Å; S89-C301 VanDerWaalsContact CB-O 3.25Å; S89-C301 WeakPolarHBondContact CB-O 3.31Å; S89-C301 WeakPolarHBondContact OG-CB 3.26Å; S89-C301 PolarHBondContact OG-O 2.98Å; K91-C301 HydrophobicContact CG-CB 4.06Å |
| 302 | C | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.2 | -174.3 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | R14 F15 R16 T312 | R14-C302 PolarHBondContact O-N 2.87Å; F15-C302 HydrophobicContact CD1-CB 3.64Å; F15-C302 HydrophobicContact CE1-CB 3.4Å; F15-C302 VanDerWaalsContact CE1-CB 3.4Å; F15-C302 HydrophobicContact CE2-CB 4.32Å; F15-C302 HydrophobicContact CG-CB 4.21Å; F15-C302 HydrophobicContact CZ-CB 3.78Å; R16-C302 PolarHBondContact N-O 3.27Å; C302-T312 HydrophobicContact CB-CG2 4.01Å |
| 303 | S | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -83.7 | 138.3 | 163.4 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | R16 E22 S305 T312 | R16-S303 PolarHBondContact NH2-OG 2.83Å; E22-S303 PolarHBondContact OE1-OG 2.88Å; S303-S305 PolarHBondContact O-N 2.66Å; S303-S305 WeakPolarHBondContact OG-CB 3.49Å; S303-S305 PolarHBondContact OG-N 2.93Å; S303-S305 VanDerWaalsContact OG-N 3.13Å; S303-T312 PolarHBondContact O-OG1 3.13Å | ||
| 304 | P | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -78.9 | 2.9 | 172.5 | 35.4 | -38.1 | 0 | 0 | 0 | 113.6 | F15 R16 L18 Y29 I30 P31 | F15-P304 HydrophobicContact CD1-CB 4.25Å; R16-P304 VanDerWaalsContact O-CD 3.31Å; R16-P304 WeakPolarHBondContact O-CD 3.41Å; R16-P304 VanDerWaalsContact O-CG 3.31Å; R16-P304 WeakPolarHBondContact O-CG 3.49Å; L18-P304 HydrophobicContact CD2-CG 3.86Å; L18-P304 HydrophobicContact CG-CG 3.92Å; Y29-P304 WeakPolarHBondContact CA-O 3.47Å; Y29-P304 HydrophobicContact CD2-CB 3.56Å; Y29-P304 HydrophobicContact CD2-CG 3.89Å; Y29-P304 HydrophobicContact CE1-CB 4.47Å; Y29-P304 HydrophobicContact CE2-CB 3.36Å; Y29-P304 HydrophobicContact CE2-CG 3.69Å; Y29-P304 HydrophobicContact CG-CB 4.18Å; I30-P304 PolarHBondContact N-O 2.82Å; P31-P304 HydrophobicContact CG-CB 3.74Å | ||
| 305 | S | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 138 | -178 | 166.3 | 0 | 0 | 0 | 0 | 113.7 | D27 S303 Y307 N308 E309 | D27-S305 WeakPolarHBondContact CB-OG 3.14Å; D27-S305 WeakPolarHBondContact OD2-CB 3.22Å; D27-S305 PolarHBondContact OD2-OG 3.45Å; S303-S305 PolarHBondContact O-N 2.66Å; S303-S305 WeakPolarHBondContact OG-CB 3.49Å; S303-S305 PolarHBondContact OG-N 2.93Å; S303-S305 VanDerWaalsContact OG-N 3.13Å; S305-Y307 PolarHBondContact O-N 3.09Å; S305-Y307 WeakPolarHBondContact OG-CB 3.33Å; S305-Y307 PolarHBondContact OG-N 2.85Å; S305-N308 CarbonylContact O-C 3.51Å; S305-N308 PolarHBondContact O-N 3.16Å; S305-E309 PolarHBondContact O-N 2.66Å |
| 306 | S | 94.8 | Very high | 95.6 | Very high | 46 Ų | 46 | 21.3 Ų | 21.3 | 32% | 0.322 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -54.4 | -33 | 166.7 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | K28 N308 E309 | K28-S306 PolarHBondContact N-OG 3.49Å; K28-S306 PolarHBondContact O-N 2.7Å; S306-N308 PolarHBondContact O-N 2.78Å; S306-E309 PolarHBondContact O-N 3.2Å |
| 307 | Y | 92.6 | Very high | 95.6 | Very high | 125 Ų | 125 | 24.6 Ų | 24.6 | 49% | 0.49 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -69.9 | -17 | 176.7 | -174.1 | -96.2 | 0 | 0 | 0 | 113 | K240 S305 | K240-Y307 PolarHBondContact NZ-O 2.85Å; S305-Y307 PolarHBondContact O-N 3.09Å; S305-Y307 WeakPolarHBondContact OG-CB 3.33Å; S305-Y307 PolarHBondContact OG-N 2.85Å |
| 308 | N | 92.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -113.2 | 13.7 | -175.9 | -67.2 | 91.7 | 0 | 0 | 0 | 112.7 | Q86 S305 S306 A310 E311 T312 | Q86-N308 PolarHBondContact NE2-ND2 3.39Å; Q86-N308 VanDerWaalsContact NE2-ND2 3.12Å; Q86-N308 PolarHBondContact OE1-ND2 3.14Å; S305-N308 CarbonylContact O-C 3.51Å; S305-N308 PolarHBondContact O-N 3.16Å; S306-N308 PolarHBondContact O-N 2.78Å; N308-A310 PolarHBondContact O-N 3Å; N308-E311 PolarHBondContact O-N 3.2Å; N308-T312 VanDerWaalsContact O-CB 3.31Å; N308-T312 WeakPolarHBondContact O-CB 3.28Å; N308-T312 PolarHBondContact O-N 3.38Å; N308-T312 PolarHBondContact O-OG1 3.37Å |
| 309 | E | 94.5 | Very high | 95.3 | Very high | 60 Ų | 60 | 25.3 Ų | 25.3 | 28% | 0.28 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -56.3 | -46.7 | 179.8 | -176.1 | 179.3 | -164.2 | 0 | 0 | 113.3 | I30 I41 A42 S305 S306 E311 T312 K313 | I30-E309 HydrophobicContact CD1-CB 3.6Å; I30-E309 HydrophobicContact CD1-CG 3.69Å; I41-E309 HydrophobicContact CG2-CG 3.94Å; A42-E309 VanDerWaalsContact CB-OE1 3.28Å; A42-E309 WeakPolarHBondContact CB-OE1 3.37Å; S305-E309 PolarHBondContact O-N 2.66Å; S306-E309 PolarHBondContact O-N 3.2Å; E309-E311 PolarHBondContact O-N 2.91Å; E309-T312 PolarHBondContact O-N 2.64Å; E309-K313 HydrophobicContact CG-CD 4.14Å; E309-K313 HydrophobicContact CG-CG 4.45Å; E309-K313 WeakPolarHBondContact O-CB 3.37Å; E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.97Å; E309-K313 WeakPolarHBondContact OE1-CE 3.25Å; E309-K313 IonicContact OE1-NZ 2.63Å; E309-K313 PolarHBondContact OE1-NZ 2.83Å; E309-K313 IonicContact OE2-NZ 2.72Å |
| 310 | A | 92.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 28.1 Ų | 28.1 | 51% | 0.512 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.9 | -37.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | N308 S314 | N308-A310 PolarHBondContact O-N 3Å; A310-S314 PolarHBondContact O-N 3.48Å; A310-S314 VanDerWaalsContact O-N 3.08Å; A310-S314 PolarHBondContact O-OG 3.49Å |
| 311 | E | 92.1 | Very high | 94.8 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.6 | -37.6 | 175.9 | -59.2 | -54.8 | 155.2 | 0 | 0 | 111 | Q86 E236 K240 N308 E309 S314 T315 | Q86-E311 HydrophobicContact CB-CB 4.35Å; Q86-E311 HydrophobicContact CG-CB 4.39Å; Q86-E311 VanDerWaalsContact OE1-CB 3.31Å; E236-E311 HydrophobicContact CB-CG 4.41Å; K240-E311 HydrophobicContact CD-CG 4.4Å; N308-E311 PolarHBondContact O-N 3.2Å; E309-E311 PolarHBondContact O-N 2.91Å; E311-S314 PolarHBondContact O-N 2.83Å; E311-T315 WeakPolarHBondContact O-CB 3.31Å; E311-T315 PolarHBondContact O-N 2.88Å; E311-T315 PolarHBondContact O-OG1 3.29Å |
| 312 | T | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 172.4 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | F15 I41 C302 S303 N308 E309 S314 T315 L316 | F15-T312 HydrophobicContact CE1-CG2 3.93Å; F15-T312 HydrophobicContact CZ-CG2 4.11Å; I41-T312 HydrophobicContact CD1-CG2 4.38Å; C302-T312 HydrophobicContact CB-CG2 4.01Å; S303-T312 PolarHBondContact O-OG1 3.13Å; N308-T312 VanDerWaalsContact O-CB 3.31Å; N308-T312 WeakPolarHBondContact O-CB 3.28Å; N308-T312 PolarHBondContact O-N 3.38Å; N308-T312 PolarHBondContact O-OG1 3.37Å; E309-T312 PolarHBondContact O-N 2.64Å; T312-S314 VanDerWaalsContact C-N 3.3Å; T312-S314 PolarHBondContact O-N 3.34Å; T312-T315 WeakPolarHBondContact O-CB 3.04Å; T312-T315 PolarHBondContact O-N 3.19Å; T312-L316 HydrophobicContact CG2-CD1 3.89Å; T312-L316 HydrophobicContact CG2-CG 4.39Å; T312-L316 WeakPolarHBondContact O-CG 3.37Å; T312-L316 PolarHBondContact O-N 2.84Å |
| 313 | K | 95.7 | Very high | 94.4 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.5 | -41.3 | 174 | -74.6 | 175.7 | -177.4 | 166.9 | 0 | 112.1 | I41 E309 L316 M317 | I41-K313 HydrophobicContact CG2-CD 4.48Å; I41-K313 HydrophobicContact CG2-CG 4.04Å; E309-K313 HydrophobicContact CG-CD 4.14Å; E309-K313 HydrophobicContact CG-CG 4.45Å; E309-K313 WeakPolarHBondContact O-CB 3.37Å; E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.97Å; E309-K313 WeakPolarHBondContact OE1-CE 3.25Å; E309-K313 IonicContact OE1-NZ 2.63Å; E309-K313 PolarHBondContact OE1-NZ 2.83Å; E309-K313 IonicContact OE2-NZ 2.72Å; K313-L316 PolarHBondContact O-N 3.34Å; K313-M317 VanDerWaalsContact O-CG 3.25Å; K313-M317 WeakPolarHBondContact O-CG 3.49Å; K313-M317 PolarHBondContact O-N 3.2Å |
| 314 | S | 93.3 | Very high | 94.1 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | A310 E311 T312 M317 F318 | A310-S314 PolarHBondContact O-N 3.48Å; A310-S314 VanDerWaalsContact O-N 3.08Å; A310-S314 PolarHBondContact O-OG 3.49Å; E311-S314 PolarHBondContact O-N 2.83Å; T312-S314 VanDerWaalsContact C-N 3.3Å; T312-S314 PolarHBondContact O-N 3.34Å; S314-M317 PolarHBondContact O-N 3Å; S314-F318 PolarHBondContact O-N 2.94Å |
| 315 | T | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | Y84 I300 E311 T312 F318 G319 | Y84-T315 HydrophobicContact CD1-CG2 4.16Å; Y84-T315 HydrophobicContact CE1-CG2 4.33Å; I300-T315 HydrophobicContact CB-CG2 3.82Å; E311-T315 WeakPolarHBondContact O-CB 3.31Å; E311-T315 PolarHBondContact O-N 2.88Å; E311-T315 PolarHBondContact O-OG1 3.29Å; T312-T315 WeakPolarHBondContact O-CB 3.04Å; T312-T315 PolarHBondContact O-N 3.19Å; T315-F318 PolarHBondContact O-N 2.8Å; T315-G319 PolarHBondContact O-N 2.98Å; T315-G319 VanDerWaalsContact O-N 3.16Å |
| 316 | L | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 175.5 | -64.6 | 166.1 | 0 | 0 | 0 | 111.9 | V39 I41 Y46 F48 I300 T312 K313 F318 G319 Q320 | V39-L316 HydrophobicContact CG1-CD1 4.31Å; V39-L316 HydrophobicContact CG1-CD2 3.84Å; I41-L316 HydrophobicContact CD1-CD1 4.43Å; I41-L316 HydrophobicContact CG1-CD1 3.57Å; Y46-L316 HydrophobicContact CD1-CB 3.51Å; Y46-L316 HydrophobicContact CD1-CD1 4.35Å; Y46-L316 HydrophobicContact CD1-CG 4.46Å; Y46-L316 HydrophobicContact CD2-CD1 4.06Å; Y46-L316 HydrophobicContact CE1-CB 3.66Å; Y46-L316 HydrophobicContact CE1-CD1 4.43Å; Y46-L316 HydrophobicContact CE2-CD1 4.19Å; Y46-L316 HydrophobicContact CG-CB 4.05Å; Y46-L316 HydrophobicContact CG-CD1 4.14Å; F48-L316 HydrophobicContact CE2-CD2 3.53Å; F48-L316 HydrophobicContact CZ-CB 4.11Å; F48-L316 HydrophobicContact CZ-CD2 3.64Å; F48-L316 HydrophobicContact CZ-CG 4.5Å; I300-L316 HydrophobicContact CD1-CD2 4.12Å; T312-L316 HydrophobicContact CG2-CD1 3.89Å; T312-L316 HydrophobicContact CG2-CG 4.39Å; T312-L316 WeakPolarHBondContact O-CG 3.37Å; T312-L316 PolarHBondContact O-N 2.84Å; K313-L316 PolarHBondContact O-N 3.34Å; L316-F318 VanDerWaalsContact C-N 3.35Å; L316-F318 PolarHBondContact O-N 3.27Å; L316-G319 PolarHBondContact O-N 3.08Å; L316-Q320 WeakPolarHBondContact O-CG 3.31Å; L316-Q320 PolarHBondContact O-N 3.46Å |
| 317 | M | 94.5 | Very high | 93.2 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 37% | 0.365 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 175.9 | -71.4 | -63 | -52.8 | 0 | 0 | 112.6 | K44 Y46 K313 S314 Q320 R321 | K44-M317 PolarHBondContact NZ-SD 3.37Å; Y46-M317 HydrophobicContact CE1-CG 4.13Å; Y46-M317 HydrophobicContact CE1-SD 3.81Å; K313-M317 VanDerWaalsContact O-CG 3.25Å; K313-M317 WeakPolarHBondContact O-CG 3.49Å; K313-M317 PolarHBondContact O-N 3.2Å; S314-M317 PolarHBondContact O-N 3Å; M317-Q320 PolarHBondContact O-N 3.32Å; M317-R321 PolarHBondContact O-N 2.71Å |
| 318 | F | 93.9 | Very high | 93 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 172.7 | 171.6 | -89.1 | 0 | 0 | 0 | 111 | Y84 L261 I265 I298 I300 S314 T315 L316 Q320 R321 A322 | Y84-F318 AromaticContact CD1-CD1 3.39Å; Y84-F318 HydrophobicContact CD1-CD1 3.39Å; Y84-F318 AromaticContact CD1-CE1 3.59Å; Y84-F318 HydrophobicContact CD1-CE1 3.59Å; Y84-F318 HydrophobicContact CD1-CG 4.01Å; Y84-F318 HydrophobicContact CD1-CZ 4.33Å; Y84-F318 HydrophobicContact CD2-CD1 4.32Å; Y84-F318 AromaticContact CD2-CE1 3.79Å; Y84-F318 HydrophobicContact CD2-CE1 3.79Å; Y84-F318 HydrophobicContact CD2-CE2 4.31Å; Y84-F318 AromaticContact CD2-CZ 3.78Å; Y84-F318 HydrophobicContact CD2-CZ 3.78Å; Y84-F318 HydrophobicContact CE1-CB 3.83Å; Y84-F318 AromaticContact CE1-CD1 3.4Å; Y84-F318 HydrophobicContact CE1-CD1 3.4Å; Y84-F318 VanDerWaalsContact CE1-CD1 3.4Å; Y84-F318 HydrophobicContact CE1-CD2 4.03Å; Y84-F318 AromaticContact CE1-CE1 3.88Å; Y84-F318 HydrophobicContact CE1-CE1 3.88Å; Y84-F318 HydrophobicContact CE1-CE2 4.43Å; Y84-F318 AromaticContact CE1-CG 3.48Å; Y84-F318 HydrophobicContact CE1-CG 3.48Å; Y84-F318 VanDerWaalsContact CE1-CG 3.48Å; Y84-F318 HydrophobicContact CE1-CZ 4.37Å; Y84-F318 HydrophobicContact CE2-CD1 4.31Å; Y84-F318 HydrophobicContact CE2-CD2 4.13Å; Y84-F318 HydrophobicContact CE2-CE1 4.05Å; Y84-F318 AromaticContact CE2-CE2 3.84Å; Y84-F318 HydrophobicContact CE2-CE2 3.84Å; Y84-F318 HydrophobicContact CE2-CG 4.36Å; Y84-F318 AromaticContact CE2-CZ 3.8Å; Y84-F318 HydrophobicContact CE2-CZ 3.8Å; Y84-F318 AromaticContact CG-CD1 3.89Å; Y84-F318 HydrophobicContact CG-CD1 3.89Å; Y84-F318 AromaticContact CG-CE1 3.55Å; Y84-F318 HydrophobicContact CG-CE1 3.55Å; Y84-F318 HydrophobicContact CG-CZ 4.05Å; Y84-F318 AromaticContact CZ-CD1 3.87Å; Y84-F318 AromaticContact CZ-CD2 3.7Å; Y84-F318 AromaticContact CZ-CE2 3.91Å; Y84-F318 AromaticContact CZ-CG 3.67Å; L261-F318 HydrophobicContact CD2-CZ 4.29Å; L261-F318 HydrophobicContact CG-CZ 4.45Å; I265-F318 HydrophobicContact CD1-CE1 4.26Å; I265-F318 HydrophobicContact CD1-CE2 3.54Å; I265-F318 HydrophobicContact CD1-CZ 3.36Å; I298-F318 HydrophobicContact CG2-CE1 4.32Å; I300-F318 HydrophobicContact CG2-CD1 4.33Å; S314-F318 PolarHBondContact O-N 2.94Å; T315-F318 PolarHBondContact O-N 2.8Å; L316-F318 VanDerWaalsContact C-N 3.35Å; L316-F318 PolarHBondContact O-N 3.27Å; F318-Q320 VanDerWaalsContact C-N 3.34Å; F318-Q320 PolarHBondContact O-N 2.82Å; F318-R321 PolarHBondContact O-N 3.36Å; F318-A322 PolarHBondContact O-N 3.46Å |
| 319 | G | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T315 L316 R321 A322 K323 | T315-G319 PolarHBondContact O-N 2.98Å; T315-G319 VanDerWaalsContact O-N 3.16Å; L316-G319 PolarHBondContact O-N 3.08Å; G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.16Å; G319-A322 PolarHBondContact O-N 2.69Å; G319-K323 PolarHBondContact O-N 2.95Å |
| 320 | Q | 94.1 | Very high | 92.2 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.6 | -73.1 | -168.9 | -56.6 | 0 | 0 | 112.9 | Y46 F48 L316 M317 F318 | Y46-Q320 HydrophobicContact CD1-CG 4.36Å; Y46-Q320 VanDerWaalsContact CD1-OE1 3.3Å; F48-Q320 HydrophobicContact CE1-CG 4.07Å; F48-Q320 HydrophobicContact CZ-CG 4.09Å; L316-Q320 WeakPolarHBondContact O-CG 3.31Å; L316-Q320 PolarHBondContact O-N 3.46Å; M317-Q320 PolarHBondContact O-N 3.32Å; F318-Q320 VanDerWaalsContact C-N 3.34Å; F318-Q320 PolarHBondContact O-N 2.82Å |
| 321 | R | 92.9 | Very high | 92 | Very high | 127 Ų | 127 | 39.8 Ų | 39.8 | 48% | 0.479 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.2 | -42.8 | 172.9 | -66.8 | -176.6 | -177.9 | -160.6 | -2.4 | 111.9 | I265 S266 M317 F318 G319 K323 T324 | I265-R321 HydrophobicContact CG2-CB 3.89Å; S266-R321 PolarHBondContact OG-NH1 3.34Å; M317-R321 PolarHBondContact O-N 2.71Å; F318-R321 PolarHBondContact O-N 3.36Å; G319-R321 VanDerWaalsContact C-N 3.31Å; G319-R321 PolarHBondContact O-N 3.16Å; R321-K323 VanDerWaalsContact C-N 3.29Å; R321-K323 PolarHBondContact O-N 2.87Å; R321-T324 PolarHBondContact O-N 3.39Å; R321-T324 PolarHBondContact O-OG1 3.24Å |
| 322 | A | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -31.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V11 I265 I298 F318 G319 T324 I325 | V11-A322 HydrophobicContact CG2-CB 4.15Å; I265-A322 HydrophobicContact CD1-CB 4.34Å; I265-A322 HydrophobicContact CG2-CB 4.14Å; I298-A322 HydrophobicContact CD1-CB 3.52Å; F318-A322 PolarHBondContact O-N 3.46Å; G319-A322 PolarHBondContact O-N 2.69Å; A322-T324 VanDerWaalsContact C-N 3.25Å; A322-T324 PolarHBondContact O-N 3.5Å; A322-I325 WeakPolarHBondContact O-CB 3.48Å; A322-I325 PolarHBondContact O-N 3.1Å |
| 323 | K | 92.4 | Very high | 91 | Very high | 67 Ų | 67 | 45 Ų | 45 | 29% | 0.291 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.4 | 178.3 | -176.9 | 163.9 | 172.4 | 152.8 | 0 | 114.2 | V11 F48 D49 G319 R321 I325 | V11-K323 HydrophobicContact CB-CB 4.24Å; V11-K323 HydrophobicContact CG2-CB 3.75Å; F48-K323 PolarHBondContact O-NZ 3.15Å; D49-K323 WeakPolarHBondContact OD1-CE 3.4Å; D49-K323 IonicContact OD1-NZ 3.94Å; D49-K323 PolarHBondContact OD1-NZ 2.69Å; D49-K323 WeakPolarHBondContact OD2-CD 3.33Å; D49-K323 WeakPolarHBondContact OD2-CE 3.28Å; D49-K323 IonicContact OD2-NZ 2.63Å; D49-K323 PolarHBondContact OD2-NZ 3.45Å; G319-K323 PolarHBondContact O-N 2.95Å; R321-K323 VanDerWaalsContact C-N 3.29Å; R321-K323 PolarHBondContact O-N 2.87Å; K323-I325 VanDerWaalsContact C-N 3.32Å |
| 324 | T | 90.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.7 | 178.2 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | A269 R321 A322 | A269-T324 VanDerWaalsContact CB-OG1 3.3Å; A269-T324 WeakPolarHBondContact CB-OG1 3.32Å; R321-T324 PolarHBondContact O-N 3.39Å; R321-T324 PolarHBondContact O-OG1 3.24Å; A322-T324 VanDerWaalsContact C-N 3.25Å; A322-T324 PolarHBondContact O-N 3.5Å |
| 325 | I | 91.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | trans | -77.8 | 137.1 | -179.6 | -58.9 | 175.5 | 0 | 0 | 0 | 110.2 | T8 I9 I265 L268 A322 K323 | T8-I325 WeakPolarHBondContact CA-O 3.15Å; I9-I325 HydrophobicContact CD1-CB 3.8Å; I9-I325 HydrophobicContact CD1-CD1 4.34Å; I9-I325 HydrophobicContact CD1-CG2 3.6Å; I9-I325 HydrophobicContact CG1-CB 4.06Å; I9-I325 HydrophobicContact CG1-CG2 4.04Å; I9-I325 PolarHBondContact N-O 2.95Å; I265-I325 HydrophobicContact CB-CD1 4.1Å; I265-I325 HydrophobicContact CG1-CD1 3.87Å; I265-I325 HydrophobicContact CG2-CD1 4.05Å; L268-I325 HydrophobicContact CB-CD1 3.78Å; L268-I325 HydrophobicContact CB-CG1 3.82Å; L268-I325 HydrophobicContact CB-CG2 4.1Å; L268-I325 HydrophobicContact CD1-CD1 4.08Å; L268-I325 HydrophobicContact CD1-CG2 4.12Å; A322-I325 WeakPolarHBondContact O-CB 3.48Å; A322-I325 PolarHBondContact O-N 3.1Å; K323-I325 VanDerWaalsContact C-N 3.32Å | ||
| 326 | K | 89.3 | Confident | 87.8 | Confident | 106 Ų | 106 | 47 Ų | 47 | 46% | 0.461 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138.5 | 168.5 | -59.5 | -172.8 | -174.8 | -177.5 | 0 | 110.8 | E6 T8 | E6-K326 HydrophobicContact CB-CD 4.41Å; E6-K326 VanDerWaalsContact CD-CD 3.46Å; E6-K326 HydrophobicContact CG-CD 4.27Å; E6-K326 WeakPolarHBondContact OE1-CD 3.45Å; E6-K326 IonicContact OE1-NZ 2.66Å; E6-K326 PolarHBondContact OE1-NZ 3.48Å; E6-K326 IonicContact OE2-NZ 3.16Å; E6-K326 PolarHBondContact OE2-NZ 3.46Å; T8-K326 HydrophobicContact CG2-CG 4.33Å |
| 327 | N | 89.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 156.6 | 167.5 | -71.6 | 9.6 | 0 | 0 | 0 | 109.3 | E6 C7 S289 G291 G292 C294 T296 V329 | E6-N327 WeakPolarHBondContact CA-O 3.39Å; C7-N327 PolarHBondContact N-O 2.94Å; C7-N327 PolarHBondContact O-N 2.65Å; S289-N327 PolarHBondContact O-ND2 3.45Å; G291-N327 PolarHBondContact N-OD1 2.96Å; G292-N327 WeakPolarHBondContact O-CB 3.4Å; C294-N327 VanDerWaalsContact O-CB 3.26Å; C294-N327 WeakPolarHBondContact O-CB 3.25Å; C294-N327 PolarHBondContact O-ND2 2.91Å; T296-N327 PolarHBondContact OG1-ND2 2.86Å; N327-V329 HydrophobicContact CB-CG2 4.32Å |
| 328 | T | 86.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 95.8 | -174.4 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | P4 G292 N293 | P4-T328 HydrophobicContact CB-CG2 3.67Å; G292-T328 PolarHBondContact O-N 3.09Å; N293-T328 WeakPolarHBondContact CA-O 3.38Å |
| 329 | V | 86.3 | Confident | 84.3 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133 | -160.1 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | A5 C7 Y77 N293 R295 N327 | A5-V329 PolarHBondContact N-O 3.14Å; A5-V329 VanDerWaalsContact N-O 3.08Å; A5-V329 PolarHBondContact O-N 3.32Å; C7-V329 HydrophobicContact CB-CG2 3.78Å; Y77-V329 HydrophobicContact CD1-CG1 3.41Å; Y77-V329 VanDerWaalsContact CD1-CG1 3.41Å; Y77-V329 HydrophobicContact CE1-CG1 3.85Å; Y77-V329 HydrophobicContact CG-CG1 4.15Å; N293-V329 WeakPolarHBondContact OD1-CA 3.26Å; R295-V329 HydrophobicContact CG-CG1 3.91Å; R295-V329 HydrophobicContact CG-CG2 4.2Å; N327-V329 HydrophobicContact CB-CG2 4.32Å |
| 330 | T | 85.8 | Confident | 83.4 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | trans | -143.3 | 147.9 | -176.7 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | P4 Y77 N293 | P4-T330 HydrophobicContact CB-CG2 3.73Å; Y77-T330 WeakPolarHBondContact CD1-O 3.18Å; N293-T330 VanDerWaalsContact CG-OG1 3.26Å; N293-T330 PolarHBondContact ND2-O 3.25Å; N293-T330 PolarHBondContact ND2-OG1 2.85Å; N293-T330 PolarHBondContact OD1-N 3.49Å; N293-T330 PolarHBondContact OD1-O 3.1Å; N293-T330 VanDerWaalsContact OD1-O 3.12Å; N293-T330 PolarHBondContact OD1-OG1 3.48Å | ||
| 331 | V | 86.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | trans | -74.5 | 130.6 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | Y77 L223 I333 | Y77-V331 HydrophobicContact CD1-CG2 4.06Å; Y77-V331 HydrophobicContact CE1-CB 4.34Å; Y77-V331 HydrophobicContact CE1-CG2 3.42Å; Y77-V331 VanDerWaalsContact CE1-CG2 3.42Å; Y77-V331 HydrophobicContact CE2-CG2 4.11Å; Y77-V331 VanDerWaalsContact CZ-CG2 3.45Å; L223-V331 HydrophobicContact CD2-CG1 3.78Å; V331-I333 HydrophobicContact CB-CG1 4.19Å; V331-I333 HydrophobicContact CG1-CD1 4.41Å; V331-I333 HydrophobicContact CG1-CG1 3.75Å; V331-I333 PolarHBondContact O-N 3.32Å; V331-I333 VanDerWaalsContact O-N 3.15Å | ||
| 332 | N | 83.5 | Confident | 81.6 | Confident | 46 Ų | 46 | 63 Ų | 63 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | trans | -84.1 | 87.4 | 176.9 | -59.2 | -77 | 0 | 0 | 0 | 110.6 | G76 N78 S224 N293 | G76-N332 WeakPolarHBondContact O-CB 3.39Å; G76-N332 PolarHBondContact O-N 2.76Å; G76-N332 PolarHBondContact O-ND2 2.64Å; G76-N332 VanDerWaalsContact O-ND2 3.08Å; N78-N332 PolarHBondContact OD1-ND2 3.09Å; N78-N332 VanDerWaalsContact OD1-ND2 3.16Å; S224-N332 PolarHBondContact N-O 3.23Å; S224-N332 VanDerWaalsContact N-O 3.14Å; S224-N332 VanDerWaalsContact O-CB 3.3Å; S224-N332 WeakPolarHBondContact O-CB 3.46Å; N293-N332 PolarHBondContact ND2-OD1 2.8Å | ||
| 333 | I | 82.9 | Confident | 80.6 | Confident | 76 Ų | 76 | 66 Ų | 66 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.6 | 177.6 | -46 | 179.2 | 0 | 0 | 0 | 110.3 | Q221 L223 V331 L335 | Q221-I333 HydrophobicContact CG-CG2 4.27Å; L223-I333 HydrophobicContact CD2-CB 4.25Å; L223-I333 HydrophobicContact CD2-CG1 3.76Å; L223-I333 HydrophobicContact CD2-CG2 4.29Å; V331-I333 HydrophobicContact CB-CG1 4.19Å; V331-I333 HydrophobicContact CG1-CD1 4.41Å; V331-I333 HydrophobicContact CG1-CG1 3.75Å; V331-I333 PolarHBondContact O-N 3.32Å; V331-I333 VanDerWaalsContact O-N 3.15Å; I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.44Å; I333-L335 PolarHBondContact O-N 3.33Å |
| 334 | E | 77.9 | Confident | 79.9 | Confident | 89 Ų | 89 | 70 Ų | 70 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 94.2 | 167.5 | -84.3 | -178.2 | 170.6 | 0 | 0 | 109.3 | K213 K222 | K213-E334 IonicContact NZ-OE1 3.21Å; K213-E334 PolarHBondContact NZ-OE1 2.87Å; K213-E334 IonicContact NZ-OE2 2.87Å; K213-E334 PolarHBondContact NZ-OE2 3.46Å; K222-E334 HydrophobicContact CB-CB 3.81Å; K222-E334 PolarHBondContact O-N 2.77Å |
| 335 | L | 71.1 | Confident | 79.4 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | trans | -67.3 | 143 | 177.3 | -60.8 | 172.2 | 0 | 0 | 0 | 111.7 | I333 Q339 W340 K343 | I333-L335 HydrophobicContact CG2-CD2 3.9Å; I333-L335 HydrophobicContact CG2-CG 4.44Å; I333-L335 PolarHBondContact O-N 3.33Å; L335-Q339 HydrophobicContact CB-CB 4.09Å; L335-Q339 HydrophobicContact CD2-CB 4.37Å; L335-W340 HydrophobicContact CB-CD2 4.46Å; L335-W340 HydrophobicContact CB-CG 4.29Å; L335-W340 HydrophobicContact CD1-CD2 4.37Å; L335-W340 HydrophobicContact CD1-CZ2 4.36Å; L335-W340 PolarHBondContact O-NE1 2.85Å; L335-K343 HydrophobicContact CD1-CD 3.83Å | ||
| 336 | T | 70 | Confident | 78.7 | Confident | 20 Ų | 20 | 75.7 Ų | 75.7 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | trans | -69.6 | 166 | 175.2 | 76.5 | 0 | 0 | 0 | 0 | 112.2 | E220 E338 Q339 W340 | E220-T336 HydrophobicContact CB-CG2 3.67Å; E220-T336 WeakPolarHBondContact O-CG2 3.25Å; T336-E338 VanDerWaalsContact C-N 3.29Å; T336-E338 PolarHBondContact O-N 2.95Å; T336-Q339 PolarHBondContact O-N 3.23Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.43Å; T336-Q339 PolarHBondContact OG1-N 3.28Å; T336-W340 VanDerWaalsContact O-CD1 3.32Å; T336-W340 PolarHBondContact O-N 3.34Å | ||
| 337 | A | 70.4 | Confident | 78.1 | Confident | 85 Ų | 85 | 75.5 Ų | 75.5 | 70% | 0.702 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K341 | A337-K341 WeakPolarHBondContact O-CB 3.38Å; A337-K341 PolarHBondContact O-N 2.95Å |
| 338 | E | 70.1 | Confident | 77.8 | Confident | 100 Ų | 100 | 80 Ų | 80 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 175.2 | -161.2 | 74.2 | -112.4 | 0 | 0 | 111 | T336 W340 K341 Q342 | T336-E338 VanDerWaalsContact C-N 3.29Å; T336-E338 PolarHBondContact O-N 2.95Å; E338-W340 PolarHBondContact O-N 2.61Å; E338-K341 WeakPolarHBondContact O-CB 3.05Å; E338-K341 PolarHBondContact O-N 2.9Å; E338-K341 IonicContact OE1-NZ 3.84Å; E338-K341 PolarHBondContact OE1-NZ 3.04Å; E338-Q342 WeakPolarHBondContact O-CG 2.79Å; E338-Q342 PolarHBondContact O-N 3.08Å |
| 339 | Q | 71.4 | Confident | 77.4 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.1 | -68.4 | 168.1 | 2.1 | 0 | 0 | 111.9 | L335 T336 K343 | L335-Q339 HydrophobicContact CB-CB 4.09Å; L335-Q339 HydrophobicContact CD2-CB 4.37Å; T336-Q339 PolarHBondContact O-N 3.23Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.43Å; T336-Q339 PolarHBondContact OG1-N 3.28Å; Q339-K343 WeakPolarHBondContact O-CB 2.37Å; Q339-K343 PolarHBondContact O-N 2.72Å |
| 340 | W | 74.3 | Confident | 77 | Confident | 138 Ų | 138 | 81.9 Ų | 81.9 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 172.4 | -87.9 | 114.3 | 0 | 0 | 0 | 112.5 | L335 T336 E338 K343 Y344 | L335-W340 HydrophobicContact CB-CD2 4.46Å; L335-W340 HydrophobicContact CB-CG 4.29Å; L335-W340 HydrophobicContact CD1-CD2 4.37Å; L335-W340 HydrophobicContact CD1-CZ2 4.36Å; L335-W340 PolarHBondContact O-NE1 2.85Å; T336-W340 VanDerWaalsContact O-CD1 3.32Å; T336-W340 PolarHBondContact O-N 3.34Å; E338-W340 PolarHBondContact O-N 2.61Å; W340-K343 HydrophobicContact CE3-CD 4.17Å; W340-K343 HydrophobicContact CZ3-CD 4.12Å; W340-K343 PolarHBondContact O-N 3.13Å; W340-Y344 VanDerWaalsContact O-CB 3.27Å; W340-Y344 WeakPolarHBondContact O-CB 3.49Å; W340-Y344 PolarHBondContact O-N 2.91Å |
| 341 | K | 75 | Confident | 76.6 | Confident | 125 Ų | 125 | 83 Ų | 83 | 54% | 0.543 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 176.7 | 173.5 | -178 | 158.1 | -146 | 0 | 111.8 | A337 E338 K343 Y344 E345 | A337-K341 WeakPolarHBondContact O-CB 3.38Å; A337-K341 PolarHBondContact O-N 2.95Å; E338-K341 WeakPolarHBondContact O-CB 3.05Å; E338-K341 PolarHBondContact O-N 2.9Å; E338-K341 IonicContact OE1-NZ 3.84Å; E338-K341 PolarHBondContact OE1-NZ 3.04Å; K341-K343 PolarHBondContact O-N 3.15Å; K341-Y344 PolarHBondContact O-N 3.41Å; K341-E345 PolarHBondContact O-N 2.87Å |
| 342 | Q | 74.2 | Confident | 76.5 | Confident | 115 Ų | 115 | 86 Ų | 86 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.3 | -69.8 | -179.1 | 12.9 | 0 | 0 | 112.3 | E338 R346 | E338-Q342 WeakPolarHBondContact O-CG 2.79Å; E338-Q342 PolarHBondContact O-N 3.08Å; Q342-R346 WeakPolarHBondContact O-CB 3.49Å; Q342-R346 PolarHBondContact O-N 3.24Å |
| 343 | K | 73.9 | Confident | 76.3 | Confident | 62 Ų | 62 | 85 Ų | 85 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 175.6 | -177.8 | -179 | 173.3 | -170.6 | 0 | 111.5 | L335 Q339 W340 K341 R346 E347 | L335-K343 HydrophobicContact CD1-CD 3.83Å; Q339-K343 WeakPolarHBondContact O-CB 2.37Å; Q339-K343 PolarHBondContact O-N 2.72Å; W340-K343 HydrophobicContact CE3-CD 4.17Å; W340-K343 HydrophobicContact CZ3-CD 4.12Å; W340-K343 PolarHBondContact O-N 3.13Å; K341-K343 PolarHBondContact O-N 3.15Å; K343-R346 PolarHBondContact O-N 2.88Å; K343-E347 WeakPolarHBondContact O-CB 3.06Å; K343-E347 PolarHBondContact O-N 2.75Å |
| 344 | Y | 76.3 | Confident | 76.2 | Confident | 150 Ų | 150 | 86 Ų | 86 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.4 | -47.8 | 176.2 | 174.1 | -99.4 | 0 | 0 | 0 | 111.8 | W340 K341 R346 E347 K348 | W340-Y344 VanDerWaalsContact O-CB 3.27Å; W340-Y344 WeakPolarHBondContact O-CB 3.49Å; W340-Y344 PolarHBondContact O-N 2.91Å; K341-Y344 PolarHBondContact O-N 3.41Å; Y344-R346 PolarHBondContact O-N 3.49Å; Y344-E347 PolarHBondContact O-N 2.69Å; Y344-K348 HydrophobicContact CD1-CD 4.46Å; Y344-K348 HydrophobicContact CE1-CD 3.82Å; Y344-K348 WeakPolarHBondContact O-CB 3.31Å; Y344-K348 PolarHBondContact O-N 3.01Å |
| 345 | E | 80.3 | Confident | 76.4 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.7 | -72.2 | -62.4 | 139.5 | 0 | 0 | 112.2 | K341 E347 K348 E349 | K341-E345 PolarHBondContact O-N 2.87Å; E345-E347 PolarHBondContact O-N 2.83Å; E345-K348 PolarHBondContact O-N 3.48Å; E345-K348 IonicContact OE1-NZ 3.01Å; E345-K348 PolarHBondContact OE1-NZ 2.82Å; E345-K348 IonicContact OE2-NZ 2.66Å; E345-K348 PolarHBondContact OE2-NZ 2.81Å; E345-E349 WeakPolarHBondContact O-CB 2.73Å; E345-E349 PolarHBondContact O-N 2.88Å |
| 346 | R | 76.8 | Confident | 76.9 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 172.3 | -173.1 | -173.1 | -70 | 99.7 | -4.8 | 111.8 | Q342 K343 Y344 E349 K350 | Q342-R346 WeakPolarHBondContact O-CB 3.49Å; Q342-R346 PolarHBondContact O-N 3.24Å; K343-R346 PolarHBondContact O-N 2.88Å; Y344-R346 PolarHBondContact O-N 3.49Å; R346-E349 PolarHBondContact O-N 3.19Å; R346-K350 WeakPolarHBondContact O-CB 3.3Å; R346-K350 WeakPolarHBondContact O-CG 3.38Å; R346-K350 PolarHBondContact O-N 2.67Å |
| 347 | E | 76.6 | Confident | 77.5 | Confident | 102 Ų | 102 | 93.1 Ų | 93.1 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.5 | -31.7 | -177.5 | -157 | 60.9 | -149.1 | 0 | 0 | 112.5 | K343 Y344 E345 N351 | K343-E347 WeakPolarHBondContact O-CB 3.06Å; K343-E347 PolarHBondContact O-N 2.75Å; Y344-E347 PolarHBondContact O-N 2.69Å; E345-E347 PolarHBondContact O-N 2.83Å; E347-N351 VanDerWaalsContact O-CB 3.3Å; E347-N351 WeakPolarHBondContact O-CB 3.45Å; E347-N351 PolarHBondContact O-N 3.42Å; E347-N351 PolarHBondContact O-ND2 2.62Å |
| 348 | K | 84.3 | Confident | 78.1 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 172.2 | 170.7 | -175.4 | 163.2 | -148.3 | 0 | 111.4 | Y344 E345 N351 K352 | Y344-K348 HydrophobicContact CD1-CD 4.46Å; Y344-K348 HydrophobicContact CE1-CD 3.82Å; Y344-K348 WeakPolarHBondContact O-CB 3.31Å; Y344-K348 PolarHBondContact O-N 3.01Å; E345-K348 PolarHBondContact O-N 3.48Å; E345-K348 IonicContact OE1-NZ 3.01Å; E345-K348 PolarHBondContact OE1-NZ 2.82Å; E345-K348 IonicContact OE2-NZ 2.66Å; E345-K348 PolarHBondContact OE2-NZ 2.81Å; K348-N351 WeakPolarHBondContact O-CB 3.24Å; K348-N351 PolarHBondContact O-N 2.82Å; K348-K352 WeakPolarHBondContact O-CB 3.42Å; K348-K352 PolarHBondContact O-N 2.99Å |
| 349 | E | 78 | Confident | 78.8 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 32% | 0.318 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 175.3 | -163.8 | 62.7 | -157.8 | 0 | 0 | 111.2 | E345 R346 N351 K352 T353 | E345-E349 WeakPolarHBondContact O-CB 2.73Å; E345-E349 PolarHBondContact O-N 2.88Å; R346-E349 PolarHBondContact O-N 3.19Å; E349-N351 VanDerWaalsContact C-N 3.31Å; E349-N351 PolarHBondContact O-N 2.97Å; E349-K352 VanDerWaalsContact CD-NZ 3.25Å; E349-K352 WeakPolarHBondContact O-CA 2.72Å; E349-K352 WeakPolarHBondContact O-CB 3.44Å; E349-K352 PolarHBondContact O-N 3.07Å; E349-K352 WeakPolarHBondContact OE1-CE 3.47Å; E349-K352 IonicContact OE1-NZ 3.37Å; E349-K352 PolarHBondContact OE1-NZ 3.47Å; E349-K352 WeakPolarHBondContact OE2-CD 3.44Å; E349-K352 IonicContact OE2-NZ 2.76Å; E349-K352 PolarHBondContact OE2-NZ 3.4Å; E349-T353 PolarHBondContact O-N 3.41Å; E349-T353 PolarHBondContact O-OG1 3.39Å |
| 350 | K | 78 | Confident | 79.2 | Confident | 46 Ų | 46 | 95.2 Ų | 95.2 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 169.9 | -72.8 | -172.8 | -179.1 | -169.9 | 0 | 111.8 | R346 K352 T353 L354 D393 | R346-K350 WeakPolarHBondContact O-CB 3.3Å; R346-K350 WeakPolarHBondContact O-CG 3.38Å; R346-K350 PolarHBondContact O-N 2.67Å; K350-K352 PolarHBondContact O-N 3.44Å; K350-T353 PolarHBondContact O-N 3.34Å; K350-L354 WeakPolarHBondContact O-CB 3.08Å; K350-L354 VanDerWaalsContact O-CG 3.3Å; K350-L354 WeakPolarHBondContact O-CG 3.36Å; K350-L354 PolarHBondContact O-N 2.99Å; K350-D393 WeakPolarHBondContact CE-OD1 2.68Å; K350-D393 IonicContact NZ-OD1 3.56Å; K350-D393 PolarHBondContact NZ-OD1 3.45Å; K350-D393 IonicContact NZ-OD2 2.75Å; K350-D393 PolarHBondContact NZ-OD2 3.27Å |
| 351 | N | 77.1 | Confident | 79.7 | Confident | 73 Ų | 73 | 91.7 Ų | 91.7 | 39% | 0.39 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 172.1 | -95.3 | -98.8 | 0 | 0 | 0 | 113.2 | E347 K348 E349 R355 | E347-N351 VanDerWaalsContact O-CB 3.3Å; E347-N351 WeakPolarHBondContact O-CB 3.45Å; E347-N351 PolarHBondContact O-N 3.42Å; E347-N351 PolarHBondContact O-ND2 2.62Å; K348-N351 WeakPolarHBondContact O-CB 3.24Å; K348-N351 PolarHBondContact O-N 2.82Å; E349-N351 VanDerWaalsContact C-N 3.31Å; E349-N351 PolarHBondContact O-N 2.97Å; N351-R355 WeakPolarHBondContact O-CB 3.16Å; N351-R355 WeakPolarHBondContact O-CG 3.31Å; N351-R355 PolarHBondContact O-N 3.26Å |
| 352 | K | 84.3 | Confident | 80.2 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 45% | 0.448 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 176.3 | 174.6 | 176.9 | 148.7 | -144.4 | 0 | 111.1 | K348 E349 K350 R355 N356 | K348-K352 WeakPolarHBondContact O-CB 3.42Å; K348-K352 PolarHBondContact O-N 2.99Å; E349-K352 VanDerWaalsContact CD-NZ 3.25Å; E349-K352 WeakPolarHBondContact O-CA 2.72Å; E349-K352 WeakPolarHBondContact O-CB 3.44Å; E349-K352 PolarHBondContact O-N 3.07Å; E349-K352 WeakPolarHBondContact OE1-CE 3.47Å; E349-K352 IonicContact OE1-NZ 3.37Å; E349-K352 PolarHBondContact OE1-NZ 3.47Å; E349-K352 WeakPolarHBondContact OE2-CD 3.44Å; E349-K352 IonicContact OE2-NZ 2.76Å; E349-K352 PolarHBondContact OE2-NZ 3.4Å; K350-K352 PolarHBondContact O-N 3.44Å; K352-R355 PolarHBondContact O-N 2.69Å; K352-N356 PolarHBondContact O-N 2.59Å; K352-N356 PolarHBondContact O-OD1 3.3Å |
| 353 | T | 80.3 | Confident | 80.6 | Confident | 24 Ų | 24 | 89.3 Ų | 89.3 | 15% | 0.147 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59 | -48.1 | 172.5 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | E349 K350 R355 N356 T357 V389 | E349-T353 PolarHBondContact O-N 3.41Å; E349-T353 PolarHBondContact O-OG1 3.39Å; K350-T353 PolarHBondContact O-N 3.34Å; T353-R355 VanDerWaalsContact C-N 3.34Å; T353-R355 PolarHBondContact O-N 3Å; T353-N356 WeakPolarHBondContact O-CB 3.18Å; T353-N356 PolarHBondContact O-N 3.27Å; T353-N356 VanDerWaalsContact O-N 3.13Å; T353-T357 PolarHBondContact O-N 2.86Å; T353-T357 PolarHBondContact O-OG1 2.9Å; T353-T357 VanDerWaalsContact O-OG1 3.09Å; T353-V389 HydrophobicContact CG2-CG2 4.05Å |
| 354 | L | 79.8 | Confident | 81 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 177 | -71.9 | 169.5 | 0 | 0 | 0 | 113.2 | K350 T357 I358 | K350-L354 WeakPolarHBondContact O-CB 3.08Å; K350-L354 VanDerWaalsContact O-CG 3.3Å; K350-L354 WeakPolarHBondContact O-CG 3.36Å; K350-L354 PolarHBondContact O-N 2.99Å; L354-T357 WeakPolarHBondContact O-CB 3.31Å; L354-T357 PolarHBondContact O-N 2.97Å; L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.29Å; L354-I358 PolarHBondContact O-N 2.95Å |
| 355 | R | 83 | Confident | 81.4 | Confident | 177 Ų | 177 | 84 Ų | 84 | 67% | 0.668 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | 173.2 | -76.9 | 170 | -178.6 | -137.2 | 1.1 | 112.4 | N351 K352 T353 I358 N359 | N351-R355 WeakPolarHBondContact O-CB 3.16Å; N351-R355 WeakPolarHBondContact O-CG 3.31Å; N351-R355 PolarHBondContact O-N 3.26Å; K352-R355 PolarHBondContact O-N 2.69Å; T353-R355 VanDerWaalsContact C-N 3.34Å; T353-R355 PolarHBondContact O-N 3Å; R355-I358 PolarHBondContact O-N 3.41Å; R355-N359 WeakPolarHBondContact O-CB 3.48Å; R355-N359 PolarHBondContact O-N 3.31Å |
| 356 | N | 81.9 | Confident | 81.6 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 173.3 | -66.6 | -9.1 | 0 | 0 | 0 | 110.2 | K352 T353 I358 N359 W360 | K352-N356 PolarHBondContact O-N 2.59Å; K352-N356 PolarHBondContact O-OD1 3.3Å; T353-N356 WeakPolarHBondContact O-CB 3.18Å; T353-N356 PolarHBondContact O-N 3.27Å; T353-N356 VanDerWaalsContact O-N 3.13Å; N356-I358 PolarHBondContact O-N 2.79Å; N356-N359 PolarHBondContact O-N 2.99Å; N356-W360 WeakPolarHBondContact O-CB 3.45Å; N356-W360 PolarHBondContact O-N 2.9Å |
| 357 | T | 81.6 | Confident | 81.9 | Confident | 34 Ų | 34 | 81.4 Ų | 81.4 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 173.5 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | T353 L354 W360 L361 F380 | T353-T357 PolarHBondContact O-N 2.86Å; T353-T357 PolarHBondContact O-OG1 2.9Å; T353-T357 VanDerWaalsContact O-OG1 3.09Å; L354-T357 WeakPolarHBondContact O-CB 3.31Å; L354-T357 PolarHBondContact O-N 2.97Å; T357-W360 PolarHBondContact O-N 2.95Å; T357-L361 HydrophobicContact CG2-CD1 3.96Å; T357-L361 WeakPolarHBondContact O-CB 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.44Å; T357-L361 PolarHBondContact O-N 3.16Å; T357-F380 HydrophobicContact CG2-CE2 3.65Å; T357-F380 HydrophobicContact CG2-CZ 3.59Å |
| 358 | I | 83.3 | Confident | 82.1 | Confident | 90 Ų | 90 | 83.1 Ų | 83.1 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -52 | 177.6 | -70.7 | 163.7 | 0 | 0 | 0 | 110.9 | L354 R355 N356 W360 L361 E362 | L354-I358 VanDerWaalsContact O-CG1 3.27Å; L354-I358 WeakPolarHBondContact O-CG1 3.29Å; L354-I358 PolarHBondContact O-N 2.95Å; R355-I358 PolarHBondContact O-N 3.41Å; N356-I358 PolarHBondContact O-N 2.79Å; I358-W360 VanDerWaalsContact C-N 3.3Å; I358-W360 PolarHBondContact O-N 2.74Å; I358-L361 PolarHBondContact O-N 3.46Å; I358-L361 VanDerWaalsContact O-N 3.17Å; I358-E362 HydrophobicContact CG2-CG 4.26Å; I358-E362 WeakPolarHBondContact O-CB 3.37Å; I358-E362 WeakPolarHBondContact O-CG 3.42Å; I358-E362 PolarHBondContact O-N 3.37Å |
| 359 | N | 84.6 | Confident | 82.1 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 178.4 | -178.3 | 13.4 | 0 | 0 | 0 | 111.2 | R355 N356 L361 E362 N363 | R355-N359 WeakPolarHBondContact O-CB 3.48Å; R355-N359 PolarHBondContact O-N 3.31Å; N356-N359 PolarHBondContact O-N 2.99Å; N359-L361 PolarHBondContact O-N 2.91Å; N359-E362 PolarHBondContact O-N 2.83Å; N359-N363 PolarHBondContact O-N 3.44Å; N359-N363 PolarHBondContact O-ND2 2.67Å; N359-N363 PolarHBondContact OD1-ND2 3.01Å |
| 360 | W | 80.6 | Confident | 82.4 | Confident | 104 Ų | 104 | 89.7 Ų | 89.7 | 39% | 0.394 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.1 | -171.1 | 103.3 | 0 | 0 | 0 | 111.1 | N356 T357 I358 N363 E364 E378 F380 | N356-W360 WeakPolarHBondContact O-CB 3.45Å; N356-W360 PolarHBondContact O-N 2.9Å; T357-W360 PolarHBondContact O-N 2.95Å; I358-W360 VanDerWaalsContact C-N 3.3Å; I358-W360 PolarHBondContact O-N 2.74Å; W360-N363 PolarHBondContact O-N 2.76Å; W360-E364 HydrophobicContact CH2-CB 4.33Å; W360-E364 HydrophobicContact CZ3-CB 3.98Å; W360-E364 HydrophobicContact CZ3-CG 4.48Å; W360-E364 WeakPolarHBondContact CZ3-OE2 3.4Å; W360-E364 PolarHBondContact O-N 3.12Å; W360-E364 VanDerWaalsContact O-N 3.12Å; W360-E378 WeakPolarHBondContact CH2-O 3.27Å; W360-E378 WeakPolarHBondContact CZ2-O 3.48Å; W360-F380 HydrophobicContact CD2-CD2 4.49Å; W360-F380 HydrophobicContact CE3-CB 4.22Å; W360-F380 AromaticContact CE3-CD2 3.72Å; W360-F380 HydrophobicContact CE3-CD2 3.72Å; W360-F380 HydrophobicContact CE3-CG 4.38Å; W360-F380 HydrophobicContact CH2-CB 4.08Å; W360-F380 VanDerWaalsContact CH2-N 3.27Å; W360-F380 HydrophobicContact CZ3-CB 3.52Å; W360-F380 AromaticContact CZ3-CD2 3.89Å; W360-F380 HydrophobicContact CZ3-CD2 3.89Å; W360-F380 HydrophobicContact CZ3-CG 4.15Å |
| 361 | L | 83.1 | Confident | 82.4 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 34% | 0.335 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 176.4 | -77.7 | 165.7 | 0 | 0 | 0 | 113 | T357 I358 N359 N363 E364 L365 F380 | T357-L361 HydrophobicContact CG2-CD1 3.96Å; T357-L361 WeakPolarHBondContact O-CB 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.44Å; T357-L361 PolarHBondContact O-N 3.16Å; I358-L361 PolarHBondContact O-N 3.46Å; I358-L361 VanDerWaalsContact O-N 3.17Å; N359-L361 PolarHBondContact O-N 2.91Å; L361-N363 VanDerWaalsContact C-N 3.32Å; L361-E364 PolarHBondContact O-N 3.18Å; L361-L365 VanDerWaalsContact O-CB 3.27Å; L361-L365 WeakPolarHBondContact O-CB 3.39Å; L361-L365 PolarHBondContact O-N 3.12Å; L361-F380 HydrophobicContact CD2-CB 3.72Å; L361-F380 HydrophobicContact CD2-CD1 4Å; L361-F380 HydrophobicContact CD2-CD2 4.1Å; L361-F380 HydrophobicContact CD2-CG 3.65Å; L361-F380 HydrophobicContact CG-CD2 4.27Å; L361-F380 HydrophobicContact CG-CG 4.28Å |
| 362 | E | 85.7 | Confident | 82.6 | Confident | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 176 | -74.8 | 175.6 | 149.7 | 0 | 0 | 111.6 | I358 N359 N366 | I358-E362 HydrophobicContact CG2-CG 4.26Å; I358-E362 WeakPolarHBondContact O-CB 3.37Å; I358-E362 WeakPolarHBondContact O-CG 3.42Å; I358-E362 PolarHBondContact O-N 3.37Å; N359-E362 PolarHBondContact O-N 2.83Å; E362-N366 VanDerWaalsContact O-CB 3.29Å; E362-N366 WeakPolarHBondContact O-CB 3.27Å; E362-N366 PolarHBondContact O-N 3.17Å; E362-N366 PolarHBondContact O-ND2 3.3Å; E362-N366 VanDerWaalsContact O-ND2 3.12Å |
| 363 | N | 82.9 | Confident | 82 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 47% | 0.465 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.5 | -43.1 | 174.3 | -72.5 | -61.8 | 0 | 0 | 0 | 112.3 | N359 W360 L361 N366 R367 | N359-N363 PolarHBondContact O-N 3.44Å; N359-N363 PolarHBondContact O-ND2 2.67Å; N359-N363 PolarHBondContact OD1-ND2 3.01Å; W360-N363 PolarHBondContact O-N 2.76Å; L361-N363 VanDerWaalsContact C-N 3.32Å; N363-N366 PolarHBondContact O-N 2.83Å; N363-R367 WeakPolarHBondContact O-CG 3.42Å; N363-R367 PolarHBondContact O-N 3.17Å |
| 364 | E | 83.6 | Confident | 81.8 | Confident | 23 Ų | 23 | 91.2 Ų | 91.2 | 11% | 0.107 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -56.4 | -51.1 | 171.6 | -179.5 | 178.7 | -139.8 | 0 | 0 | 110.7 | W360 L361 N366 R367 W368 V374 Q379 | W360-E364 HydrophobicContact CH2-CB 4.33Å; W360-E364 HydrophobicContact CZ3-CB 3.98Å; W360-E364 HydrophobicContact CZ3-CG 4.48Å; W360-E364 WeakPolarHBondContact CZ3-OE2 3.4Å; W360-E364 PolarHBondContact O-N 3.12Å; W360-E364 VanDerWaalsContact O-N 3.12Å; L361-E364 PolarHBondContact O-N 3.18Å; E364-N366 VanDerWaalsContact C-N 3.31Å; E364-N366 PolarHBondContact O-N 2.57Å; E364-R367 PolarHBondContact O-N 3.35Å; E364-W368 HydrophobicContact CG-CZ2 4.1Å; E364-W368 PolarHBondContact O-N 2.74Å; E364-V374 HydrophobicContact CG-CG2 4.29Å; E364-Q379 WeakPolarHBondContact OE1-CA 3.41Å; E364-Q379 WeakPolarHBondContact OE1-CB 3.35Å; E364-Q379 WeakPolarHBondContact OE1-CG 3.37Å |
| 365 | L | 83.3 | Confident | 81.6 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 40% | 0.403 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 179.3 | -169 | 75.5 | 0 | 0 | 0 | 112.7 | L361 R369 | L361-L365 VanDerWaalsContact O-CB 3.27Å; L361-L365 WeakPolarHBondContact O-CB 3.39Å; L361-L365 PolarHBondContact O-N 3.12Å; L365-R369 WeakPolarHBondContact O-CB 3.4Å; L365-R369 WeakPolarHBondContact O-CD 3.35Å; L365-R369 VanDerWaalsContact O-CG 3.23Å; L365-R369 WeakPolarHBondContact O-CG 3Å; L365-R369 PolarHBondContact O-N 3.48Å |
| 366 | N | 85.2 | Confident | 80.9 | Confident | 72 Ų | 72 | 86.8 Ų | 86.8 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | 177.8 | -75.5 | -25 | 0 | 0 | 0 | 112.3 | E362 N363 E364 R369 N370 | E362-N366 VanDerWaalsContact O-CB 3.29Å; E362-N366 WeakPolarHBondContact O-CB 3.27Å; E362-N366 PolarHBondContact O-N 3.17Å; E362-N366 PolarHBondContact O-ND2 3.3Å; E362-N366 VanDerWaalsContact O-ND2 3.12Å; N363-N366 PolarHBondContact O-N 2.83Å; E364-N366 VanDerWaalsContact C-N 3.31Å; E364-N366 PolarHBondContact O-N 2.57Å; N366-R369 PolarHBondContact O-N 3.5Å; N366-N370 WeakPolarHBondContact O-CB 3.24Å; N366-N370 PolarHBondContact O-N 3.25Å; N366-N370 PolarHBondContact O-ND2 2.79Å |
| 367 | R | 82.7 | Confident | 80.2 | Confident | 82 Ų | 82 | 91.7 Ų | 91.7 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 172.3 | -71.3 | 179.8 | 76 | -167.1 | 4.1 | 111.1 | N363 E364 R369 N370 G371 E372 V374 E378 | N363-R367 WeakPolarHBondContact O-CG 3.42Å; N363-R367 PolarHBondContact O-N 3.17Å; E364-R367 PolarHBondContact O-N 3.35Å; R367-R369 VanDerWaalsContact C-N 3.32Å; R367-R369 PolarHBondContact O-N 2.84Å; R367-N370 PolarHBondContact O-N 2.81Å; R367-N370 VanDerWaalsContact O-N 3.12Å; R367-G371 PolarHBondContact O-N 3.25Å; R367-E372 HydrophobicContact CB-CB 4.1Å; R367-E372 IonicContact CZ-OE2 3.75Å; R367-E372 IonicContact NE-OE2 2.71Å; R367-E372 PolarHBondContact NE-OE2 3.44Å; R367-E372 IonicContact NH2-OE2 3.92Å; R367-E372 PolarHBondContact NH2-OE2 3.35Å; R367-E372 WeakPolarHBondContact O-CB 3.35Å; R367-E372 PolarHBondContact O-N 3.43Å; R367-V374 HydrophobicContact CB-CG2 3.83Å; R367-E378 IonicContact CZ-OE2 3.87Å; R367-E378 IonicContact NH1-OE2 3.67Å; R367-E378 PolarHBondContact NH1-OE2 3.36Å; R367-E378 IonicContact NH2-OE2 3.97Å |
| 368 | W | 80.9 | Confident | 79.5 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 176.5 | -65.8 | 20.9 | 0 | 0 | 0 | 111.9 | E364 N370 G371 | E364-W368 HydrophobicContact CG-CZ2 4.1Å; E364-W368 PolarHBondContact O-N 2.74Å; W368-N370 VanDerWaalsContact C-N 3.32Å; W368-N370 PolarHBondContact O-N 3Å; W368-G371 PolarHBondContact O-N 3.01Å |
| 369 | R | 84.8 | Confident | 78.9 | Confident | 175 Ų | 175 | 93.9 Ų | 93.9 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.9 | -31 | 175.2 | -77.1 | 167.5 | 170.7 | 174.7 | -3 | 113.7 | L365 N366 R367 G371 | L365-R369 WeakPolarHBondContact O-CB 3.4Å; L365-R369 WeakPolarHBondContact O-CD 3.35Å; L365-R369 VanDerWaalsContact O-CG 3.23Å; L365-R369 WeakPolarHBondContact O-CG 3Å; L365-R369 PolarHBondContact O-N 3.48Å; N366-R369 PolarHBondContact O-N 3.5Å; R367-R369 VanDerWaalsContact C-N 3.32Å; R367-R369 PolarHBondContact O-N 2.84Å; R369-G371 PolarHBondContact O-N 3.37Å |
| 370 | N | 84.8 | Confident | 78.2 | Confident | 127 Ų | 127 | 92.9 Ų | 92.9 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.8 | 175.1 | -67.7 | -12.5 | 0 | 0 | 0 | 113 | N366 R367 W368 | N366-N370 WeakPolarHBondContact O-CB 3.24Å; N366-N370 PolarHBondContact O-N 3.25Å; N366-N370 PolarHBondContact O-ND2 2.79Å; R367-N370 PolarHBondContact O-N 2.81Å; R367-N370 VanDerWaalsContact O-N 3.12Å; W368-N370 VanDerWaalsContact C-N 3.32Å; W368-N370 PolarHBondContact O-N 3Å |
| 371 | G | 77.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | 10.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R367 W368 R369 | R367-G371 PolarHBondContact O-N 3.25Å; W368-G371 PolarHBondContact O-N 3.01Å; R369-G371 PolarHBondContact O-N 3.37Å |
| 372 | E | 80.3 | Confident | 76.7 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 138.1 | 173 | -66.5 | 176.6 | -142.5 | 0 | 0 | 111.5 | R367 | R367-E372 HydrophobicContact CB-CB 4.1Å; R367-E372 IonicContact CZ-OE2 3.75Å; R367-E372 IonicContact NE-OE2 2.71Å; R367-E372 PolarHBondContact NE-OE2 3.44Å; R367-E372 IonicContact NH2-OE2 3.92Å; R367-E372 PolarHBondContact NH2-OE2 3.35Å; R367-E372 WeakPolarHBondContact O-CB 3.35Å; R367-E372 PolarHBondContact O-N 3.43Å |
| 373 | S | 72.8 | Confident | 75.6 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 122.5 | 166.9 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 374 | V | 75.1 | Confident | 74.9 | Confident | 9 Ų | 9 | 100.3 Ų | 100.3 | 6% | 0.055 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 124.5 | 173 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | E364 R367 E378 Q379 | E364-V374 HydrophobicContact CG-CG2 4.29Å; R367-V374 HydrophobicContact CB-CG2 3.83Å; V374-E378 HydrophobicContact CG1-CB 3.62Å; V374-E378 VanDerWaalsContact CG1-O 3.22Å; V374-E378 WeakPolarHBondContact CG1-O 3.26Å; V374-Q379 HydrophobicContact CB-CG 4.42Å; V374-Q379 HydrophobicContact CG1-CG 4Å; V374-Q379 PolarHBondContact O-NE2 2.67Å |
| 375 | P | 76.9 | Confident | 73.8 | Confident | 63 Ų | 63 | 100.1 Ų | 100.1 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 147.1 | 175.6 | -24 | 33.3 | 0 | 0 | 0 | 112.2 | E377 E378 Q379 | P375-E377 PolarHBondContact O-N 3.08Å; P375-E377 VanDerWaalsContact O-N 3.12Å; P375-E378 HydrophobicContact CB-CG 4.4Å; P375-E378 WeakPolarHBondContact CD-OE2 3.45Å; P375-E378 HydrophobicContact CG-CG 4.39Å; P375-E378 CarbonylContact O-C 3.42Å; P375-E378 WeakPolarHBondContact O-CA 3.35Å; P375-E378 WeakPolarHBondContact O-CB 3.33Å; P375-E378 PolarHBondContact O-N 3.04Å; P375-Q379 WeakPolarHBondContact O-CG 3.32Å; P375-Q379 PolarHBondContact O-N 3.04Å |
| 376 | V | 67.8 | Low | 72.7 | Confident | 120 Ų | 120 | 100.7 Ų | 100.7 | 73% | 0.727 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.4 | -177.3 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | E378 Q379 | V376-E378 PolarHBondContact O-N 3.49Å; V376-Q379 PolarHBondContact O-N 2.77Å |
| 377 | E | 66.7 | Low | 71.7 | Confident | 198 Ų | 198 | 100 Ų | 100 | 93% | 0.925 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -70.4 | -18 | 174.2 | -64.1 | 167 | -154.9 | 0 | 0 | 113.4 | P375 | P375-E377 PolarHBondContact O-N 3.08Å; P375-E377 VanDerWaalsContact O-N 3.12Å |
| 378 | E | 67.3 | Low | 70.7 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -107.2 | 11 | 175.3 | -61.8 | -173.9 | 170.5 | 0 | 0 | 112.6 | W360 R367 V374 P375 V376 | W360-E378 WeakPolarHBondContact CH2-O 3.27Å; W360-E378 WeakPolarHBondContact CZ2-O 3.48Å; R367-E378 IonicContact CZ-OE2 3.87Å; R367-E378 IonicContact NH1-OE2 3.67Å; R367-E378 PolarHBondContact NH1-OE2 3.36Å; R367-E378 IonicContact NH2-OE2 3.97Å; V374-E378 HydrophobicContact CG1-CB 3.62Å; V374-E378 VanDerWaalsContact CG1-O 3.22Å; V374-E378 WeakPolarHBondContact CG1-O 3.26Å; P375-E378 HydrophobicContact CB-CG 4.4Å; P375-E378 WeakPolarHBondContact CD-OE2 3.45Å; P375-E378 HydrophobicContact CG-CG 4.39Å; P375-E378 CarbonylContact O-C 3.42Å; P375-E378 WeakPolarHBondContact O-CA 3.35Å; P375-E378 WeakPolarHBondContact O-CB 3.33Å; P375-E378 PolarHBondContact O-N 3.04Å; V376-E378 PolarHBondContact O-N 3.49Å |
| 379 | Q | 71.2 | Confident | 69.6 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -92.5 | 163.1 | 178.3 | -71.4 | 179.6 | 13.8 | 0 | 0 | 112.7 | E364 V374 P375 V376 D381 | E364-Q379 WeakPolarHBondContact OE1-CA 3.41Å; E364-Q379 WeakPolarHBondContact OE1-CB 3.35Å; E364-Q379 WeakPolarHBondContact OE1-CG 3.37Å; V374-Q379 HydrophobicContact CB-CG 4.42Å; V374-Q379 HydrophobicContact CG1-CG 4Å; V374-Q379 PolarHBondContact O-NE2 2.67Å; P375-Q379 WeakPolarHBondContact O-CG 3.32Å; P375-Q379 PolarHBondContact O-N 3.04Å; V376-Q379 PolarHBondContact O-N 2.77Å; Q379-D381 PolarHBondContact O-N 3.46Å |
| 380 | F | 68.2 | Low | 68.2 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 30% | 0.298 | 51% | 0.505 | S | S | . | . | trans | -69 | 97 | -172.4 | -172 | -118.8 | 0 | 0 | 0 | 114.1 | T357 W360 L361 K382 A385 | T357-F380 HydrophobicContact CG2-CE2 3.65Å; T357-F380 HydrophobicContact CG2-CZ 3.59Å; W360-F380 HydrophobicContact CD2-CD2 4.49Å; W360-F380 HydrophobicContact CE3-CB 4.22Å; W360-F380 AromaticContact CE3-CD2 3.72Å; W360-F380 HydrophobicContact CE3-CD2 3.72Å; W360-F380 HydrophobicContact CE3-CG 4.38Å; W360-F380 HydrophobicContact CH2-CB 4.08Å; W360-F380 VanDerWaalsContact CH2-N 3.27Å; W360-F380 HydrophobicContact CZ3-CB 3.52Å; W360-F380 AromaticContact CZ3-CD2 3.89Å; W360-F380 HydrophobicContact CZ3-CD2 3.89Å; W360-F380 HydrophobicContact CZ3-CG 4.15Å; L361-F380 HydrophobicContact CD2-CB 3.72Å; L361-F380 HydrophobicContact CD2-CD1 4Å; L361-F380 HydrophobicContact CD2-CD2 4.1Å; L361-F380 HydrophobicContact CD2-CG 3.65Å; L361-F380 HydrophobicContact CG-CD2 4.27Å; L361-F380 HydrophobicContact CG-CG 4.28Å; F380-K382 HydrophobicContact CD1-CB 4.09Å; F380-K382 HydrophobicContact CE1-CB 3.85Å; F380-K382 HydrophobicContact CE1-CG 4.16Å; F380-K382 PolarHBondContact O-N 3.07Å; F380-A385 HydrophobicContact CE2-CB 3.88Å; F380-A385 HydrophobicContact CZ-CB 3.69Å | ||
| 381 | D | 70.8 | Confident | 67 | Low | 82 Ų | 82 | 89.7 Ų | 89.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | trans | -73.3 | 92.1 | 169.2 | -171.2 | -16.8 | 0 | 0 | 0 | 111.3 | Q379 E383 K384 A385 | Q379-D381 PolarHBondContact O-N 3.46Å; D381-E383 PolarHBondContact O-N 3.35Å; D381-E383 WeakPolarHBondContact OD1-CA 3.12Å; D381-E383 PolarHBondContact OD1-N 3.31Å; D381-K384 HydrophobicContact CB-CB 3.86Å; D381-K384 HydrophobicContact CB-CD 4.44Å; D381-K384 PolarHBondContact OD1-N 2.83Å; D381-K384 VanDerWaalsContact OD2-CB 3.25Å; D381-K384 WeakPolarHBondContact OD2-CB 3.14Å; D381-A385 WeakPolarHBondContact O-CB 3.44Å; D381-A385 PolarHBondContact O-N 3.41Å | ||
| 382 | K | 63 | Low | 66 | Low | 143 Ų | 143 | 90.5 Ų | 90.5 | 62% | 0.622 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.2 | -23.9 | 175.9 | -173.1 | 178.6 | 178.1 | -175.3 | 0 | 113.3 | F380 N386 | F380-K382 HydrophobicContact CD1-CB 4.09Å; F380-K382 HydrophobicContact CE1-CB 3.85Å; F380-K382 HydrophobicContact CE1-CG 4.16Å; F380-K382 PolarHBondContact O-N 3.07Å; K382-N386 PolarHBondContact O-N 3.12Å; K382-N386 PolarHBondContact O-ND2 2.93Å |
| 383 | E | 62.9 | Low | 64.4 | Low | 164 Ų | 164 | 90.7 Ų | 90.7 | 77% | 0.766 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -81.7 | -44.6 | 179 | -60.4 | -165.6 | 152 | 0 | 0 | 110.1 | D381 N386 A387 | D381-E383 PolarHBondContact O-N 3.35Å; D381-E383 WeakPolarHBondContact OD1-CA 3.12Å; D381-E383 PolarHBondContact OD1-N 3.31Å; E383-N386 PolarHBondContact O-N 3.2Å; E383-A387 WeakPolarHBondContact O-CB 3.15Å; E383-A387 PolarHBondContact O-N 3.19Å |
| 384 | K | 66.9 | Low | 63 | Low | 126 Ų | 126 | 91.7 Ų | 91.7 | 55% | 0.548 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 172.8 | -176.3 | 179.4 | -179.9 | -176.1 | 0 | 113 | D381 N386 A387 E388 | D381-K384 HydrophobicContact CB-CB 3.86Å; D381-K384 HydrophobicContact CB-CD 4.44Å; D381-K384 PolarHBondContact OD1-N 2.83Å; D381-K384 VanDerWaalsContact OD2-CB 3.25Å; D381-K384 WeakPolarHBondContact OD2-CB 3.14Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.19Å; K384-A387 WeakPolarHBondContact O-CB 3.3Å; K384-A387 PolarHBondContact O-N 2.89Å; K384-A387 VanDerWaalsContact O-N 3.12Å; K384-E388 PolarHBondContact O-N 3.25Å |
| 385 | A | 61.6 | Low | 61.6 | Low | 20 Ų | 20 | 97.6 Ų | 97.6 | 17% | 0.165 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F380 D381 V389 | F380-A385 HydrophobicContact CE2-CB 3.88Å; F380-A385 HydrophobicContact CZ-CB 3.69Å; D381-A385 WeakPolarHBondContact O-CB 3.44Å; D381-A385 PolarHBondContact O-N 3.41Å; A385-V389 WeakPolarHBondContact O-CG2 3.32Å; A385-V389 PolarHBondContact O-N 2.9Å |
| 386 | N | 59.7 | Low | 59.8 | Low | 89 Ų | 89 | 101.8 Ų | 101.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -37 | 172.8 | -79.4 | -48.8 | 0 | 0 | 0 | 112.1 | K382 E383 K384 V389 L390 | K382-N386 PolarHBondContact O-N 3.12Å; K382-N386 PolarHBondContact O-ND2 2.93Å; E383-N386 PolarHBondContact O-N 3.2Å; K384-N386 VanDerWaalsContact C-N 3.31Å; K384-N386 PolarHBondContact O-N 3.19Å; N386-V389 PolarHBondContact O-N 3.42Å; N386-L390 WeakPolarHBondContact O-CB 3.47Å; N386-L390 WeakPolarHBondContact O-CG 2.62Å; N386-L390 PolarHBondContact O-N 2.85Å |
| 387 | A | 62.8 | Low | 58.4 | Low | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E383 K384 L390 A391 | E383-A387 WeakPolarHBondContact O-CB 3.15Å; E383-A387 PolarHBondContact O-N 3.19Å; K384-A387 WeakPolarHBondContact O-CB 3.3Å; K384-A387 PolarHBondContact O-N 2.89Å; K384-A387 VanDerWaalsContact O-N 3.12Å; A387-L390 PolarHBondContact O-N 2.72Å; A387-A391 WeakPolarHBondContact O-CB 3.17Å; A387-A391 PolarHBondContact O-N 2.78Å |
| 388 | E | 63.2 | Low | 57.2 | Low | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 174.6 | -71.5 | 178 | -170.6 | 0 | 0 | 112.2 | K384 A391 L392 | K384-E388 PolarHBondContact O-N 3.25Å; E388-A391 PolarHBondContact O-N 2.77Å; E388-L392 PolarHBondContact O-N 2.88Å |
| 389 | V | 56.4 | Low | 55.7 | Low | 45 Ų | 45 | 105.3 Ų | 105.3 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 175 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | T353 A385 N386 | T353-V389 HydrophobicContact CG2-CG2 4.05Å; A385-V389 WeakPolarHBondContact O-CG2 3.32Å; A385-V389 PolarHBondContact O-N 2.9Å; N386-V389 PolarHBondContact O-N 3.42Å |
| 390 | L | 55.8 | Low | 54.2 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -75.6 | -30.5 | 175.3 | -75.8 | 165 | 0 | 0 | 0 | 113.1 | N386 A387 L392 D393 N394 | N386-L390 WeakPolarHBondContact O-CB 3.47Å; N386-L390 WeakPolarHBondContact O-CG 2.62Å; N386-L390 PolarHBondContact O-N 2.85Å; A387-L390 PolarHBondContact O-N 2.72Å; L390-L392 VanDerWaalsContact C-N 3.32Å; L390-D393 PolarHBondContact O-N 3.04Å; L390-N394 PolarHBondContact O-ND2 2.85Å |
| 391 | A | 60.8 | Low | 53 | Low | 44 Ų | 44 | 108.2 Ų | 108.2 | 36% | 0.364 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A387 E388 D393 N394 I395 | A387-A391 WeakPolarHBondContact O-CB 3.17Å; A387-A391 PolarHBondContact O-N 2.78Å; E388-A391 PolarHBondContact O-N 2.77Å; A391-D393 PolarHBondContact O-N 2.88Å; A391-N394 PolarHBondContact O-N 3.42Å; A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.15Å |
| 392 | L | 55.2 | Low | 51.4 | Low | 86 Ų | 86 | 110.2 Ų | 110.2 | 45% | 0.45 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -22.1 | 176.4 | -85.9 | 161.8 | 0 | 0 | 0 | 114.8 | E388 L390 | E388-L392 PolarHBondContact O-N 2.88Å; L390-L392 VanDerWaalsContact C-N 3.32Å |
| 393 | D | 46.3 | Very low | 50.4 | Low | 96 Ų | 96 | 109.8 Ų | 109.8 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -10.3 | 172.1 | -87.4 | 5.5 | 0 | 0 | 0 | 112.9 | K350 L390 A391 | K350-D393 WeakPolarHBondContact CE-OD1 2.68Å; K350-D393 IonicContact NZ-OD1 3.56Å; K350-D393 PolarHBondContact NZ-OD1 3.45Å; K350-D393 IonicContact NZ-OD2 2.75Å; K350-D393 PolarHBondContact NZ-OD2 3.27Å; L390-D393 PolarHBondContact O-N 3.04Å; A391-D393 PolarHBondContact O-N 2.88Å |
| 394 | N | 45.1 | Very low | 49.5 | Very low | 128 Ų | 128 | 108.4 Ų | 108.4 | 68% | 0.684 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -12.3 | -173.4 | -77.3 | -72.3 | 0 | 0 | 0 | 115.9 | L390 A391 I396 | L390-N394 PolarHBondContact O-ND2 2.85Å; A391-N394 PolarHBondContact O-N 3.42Å; N394-I396 VanDerWaalsContact C-N 3.35Å; N394-I396 PolarHBondContact O-N 3.04Å |
| 395 | I | 45.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 110 Ų | 110 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | trans | -80.6 | 80 | -176.5 | -62.6 | 164.6 | 0 | 0 | 0 | 111.3 | A391 | A391-I395 WeakPolarHBondContact O-CG1 3.48Å; A391-I395 PolarHBondContact O-N 3.15Å | ||
| 396 | I | 38 | Very low | 46.8 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | trans | -135.4 | 70 | 155.7 | -50.8 | -178.5 | 0 | 0 | 0 | 109.1 | N394 | N394-I396 VanDerWaalsContact C-N 3.35Å; N394-I396 PolarHBondContact O-N 3.04Å | ||
| 397 | N | 39.1 | Very low | 46.1 | Very low | 150 Ų | 150 | 117.2 Ų | 117.2 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -174.4 | 127.9 | 148.8 | -98.6 | -32.2 | 0 | 0 | 0 | 112.3 | ||
| 398 | E | 40.5 | Very low | 45.1 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 45.5 | 132.2 | 162.9 | -54.6 | -166.3 | 153.8 | 0 | 0 | 121.7 | ||||
| 399 | K | 36.5 | Very low | 43.8 | Very low | 185 Ų | 185 | 120.2 Ų | 120.2 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | 163.5 | -172.6 | 88.3 | -128 | 142 | -172 | 150.4 | 0 | 112.8 | |||||
| 400 | S | 40.3 | Very low | 42.9 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -150.9 | 133.9 | -164 | 55 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 401 | A | 41.8 | Very low | 42 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | trans | 66.9 | 144.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 402 | S | 37.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 122.1 | 156 | 142.3 | 73.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 403 | T | 43.3 | Very low | 41 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -155.4 | 163.4 | -166.6 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 404 | P | 43.3 | Very low | 41.2 | Very low | 135 Ų | 135 | 135 Ų | 135 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -144.1 | -170.5 | 157.1 | 37.1 | -17.5 | 0 | 0 | 0 | 117.3 | ||||
| 405 | N | 39 | Very low | 41.2 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -157.5 | 162.5 | -159.7 | -174.7 | 14.8 | 0 | 0 | 0 | 114.1 | ||||
| 406 | V | 31.8 | Very low | 41.5 | Very low | 136 Ų | 136 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -177.1 | 157.7 | 162.8 | 129.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 407 | P | 46.3 | Very low | 42.1 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -141.2 | -179.9 | -169.6 | 45.2 | -27.6 | 0 | 0 | 0 | 121 | ||||
| 408 | G | 40.9 | Very low | 42.6 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | 128.4 | 166.1 | 136.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 409 | V | 35.8 | Very low | 43.1 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 93% | 0.933 | 75% | 0.749 | S | S | * | * | trans | 113.2 | 157.9 | 154.6 | -174 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 410 | R | 38.8 | Very low | 44.1 | Very low | 235 Ų | 235 | 125.5 Ų | 125.5 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | trans | -142 | 177.4 | -161.8 | -54.7 | 173.8 | 173.7 | 176.3 | -4.6 | 115.1 | ||||
| 411 | L | 36.4 | Very low | 45.1 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -160.3 | 179.3 | 150.3 | -113 | 169.7 | 0 | 0 | 0 | 115.2 | ||||
| 412 | T | 44.4 | Very low | 46.1 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 64% | 0.638 | 71% | 0.706 | S | S | * | * | trans | -152.9 | 165.3 | -149.6 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 413 | D | 50.9 | Low | 47.2 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 44% | 0.439 | 68% | 0.681 | S | S | . | * | cis | -167.9 | -145.3 | -17 | -81.5 | -23.2 | 0 | 0 | 0 | 109.8 | K416 | D413-K416 HydrophobicContact CB-CD 4.15Å; D413-K416 WeakPolarHBondContact OD1-CD 3.26Å; D413-K416 VanDerWaalsContact OD1-CE 3.3Å; D413-K416 WeakPolarHBondContact OD1-CE 3.21Å; D413-K416 IonicContact OD1-NZ 2.7Å; D413-K416 PolarHBondContact OD1-NZ 2.81Å | ||
| 414 | V | 49.2 | Very low | 48.5 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 67% | 0.673 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 87.2 | -64.6 | 167.8 | -172.2 | 0 | 0 | 0 | 0 | 120.7 | K416 D417 | V414-K416 PolarHBondContact O-N 3.35Å; V414-D417 WeakPolarHBondContact CA-OD1 3.48Å; V414-D417 PolarHBondContact N-OD1 3.32Å; V414-D417 VanDerWaalsContact N-OD1 3.15Å; V414-D417 PolarHBondContact O-N 2.86Å; V414-D417 VanDerWaalsContact O-N 3.14Å |
| 415 | E | 46.5 | Very low | 50 | Low | 190 Ų | 190 | 120.6 Ų | 120.6 | 89% | 0.888 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -69.1 | -19.1 | 170.6 | -77.8 | -163.7 | 137.4 | 0 | 0 | 111.4 | ||
| 416 | K | 50.9 | Low | 51.6 | Low | 93 Ų | 93 | 118.2 Ų | 118.2 | 40% | 0.404 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -42.9 | -72.1 | 154.9 | -105.2 | 171.9 | 151.7 | -140.9 | 0 | 111.4 | D413 V414 K418 C419 E420 | D413-K416 HydrophobicContact CB-CD 4.15Å; D413-K416 WeakPolarHBondContact OD1-CD 3.26Å; D413-K416 VanDerWaalsContact OD1-CE 3.3Å; D413-K416 WeakPolarHBondContact OD1-CE 3.21Å; D413-K416 IonicContact OD1-NZ 2.7Å; D413-K416 PolarHBondContact OD1-NZ 2.81Å; V414-K416 PolarHBondContact O-N 3.35Å; K416-K418 VanDerWaalsContact C-N 3.26Å; K416-K418 CarbonylContact O-C 3.45Å; K416-K418 PolarHBondContact O-N 3.35Å; K416-C419 CarbonylContact O-C 3.47Å; K416-C419 WeakPolarHBondContact O-CA 3.45Å; K416-C419 WeakPolarHBondContact O-CB 3.25Å; K416-C419 PolarHBondContact O-N 2.91Å; K416-E420 HydrophobicContact CB-CB 3.95Å; K416-E420 WeakPolarHBondContact CB-OE2 3.45Å; K416-E420 WeakPolarHBondContact CE-OE1 3.23Å; K416-E420 HydrophobicContact CG-CB 4.2Å; K416-E420 IonicContact NZ-OE1 2.65Å; K416-E420 PolarHBondContact NZ-OE1 2.91Å; K416-E420 IonicContact NZ-OE2 3.79Å; K416-E420 WeakPolarHBondContact O-CB 3.27Å; K416-E420 PolarHBondContact O-N 2.87Å |
| 417 | D | 50.4 | Low | 53.4 | Low | 93 Ų | 93 | 117.8 Ų | 117.8 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -37.1 | -39.3 | -153.6 | -60.4 | 23.5 | 0 | 0 | 0 | 117.7 | V414 A421 | V414-D417 WeakPolarHBondContact CA-OD1 3.48Å; V414-D417 PolarHBondContact N-OD1 3.32Å; V414-D417 VanDerWaalsContact N-OD1 3.15Å; V414-D417 PolarHBondContact O-N 2.86Å; V414-D417 VanDerWaalsContact O-N 3.14Å; D417-A421 WeakPolarHBondContact O-CB 3.28Å; D417-A421 PolarHBondContact O-N 2.78Å |
| 418 | K | 50.3 | Low | 54.9 | Low | 186 Ų | 186 | 117.7 Ų | 117.7 | 81% | 0.809 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -82 | -44.8 | 173.3 | -87.7 | -174.5 | 174.8 | 178.8 | 0 | 114.5 | K416 E420 A421 E422 | K416-K418 VanDerWaalsContact C-N 3.26Å; K416-K418 CarbonylContact O-C 3.45Å; K416-K418 PolarHBondContact O-N 3.35Å; K418-E420 VanDerWaalsContact C-N 3.32Å; K418-A421 PolarHBondContact O-N 3.03Å; K418-E422 PolarHBondContact O-N 2.64Å |
| 419 | C | 51.9 | Low | 56.7 | Low | 82 Ų | 82 | 119.4 Ų | 119.4 | 55% | 0.554 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.7 | -46.8 | 169.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | K416 A421 E422 L423 | K416-C419 CarbonylContact O-C 3.47Å; K416-C419 WeakPolarHBondContact O-CA 3.45Å; K416-C419 WeakPolarHBondContact O-CB 3.25Å; K416-C419 PolarHBondContact O-N 2.91Å; C419-A421 VanDerWaalsContact C-N 3.26Å; C419-A421 PolarHBondContact O-N 2.75Å; C419-E422 PolarHBondContact O-N 3.3Å; C419-E422 VanDerWaalsContact O-N 3.16Å; C419-L423 WeakPolarHBondContact O-CA 3.39Å; C419-L423 WeakPolarHBondContact O-CB 3.37Å; C419-L423 PolarHBondContact O-N 3.37Å |
| 420 | E | 55.9 | Low | 58.5 | Low | 55 Ų | 55 | 116.1 Ų | 116.1 | 26% | 0.257 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.2 | -28.1 | 172.9 | -166.6 | 164.1 | -129.1 | 0 | 0 | 113.2 | K416 K418 T424 | K416-E420 HydrophobicContact CB-CB 3.95Å; K416-E420 WeakPolarHBondContact CB-OE2 3.45Å; K416-E420 WeakPolarHBondContact CE-OE1 3.23Å; K416-E420 HydrophobicContact CG-CB 4.2Å; K416-E420 IonicContact NZ-OE1 2.65Å; K416-E420 PolarHBondContact NZ-OE1 2.91Å; K416-E420 IonicContact NZ-OE2 3.79Å; K416-E420 WeakPolarHBondContact O-CB 3.27Å; K416-E420 PolarHBondContact O-N 2.87Å; K418-E420 VanDerWaalsContact C-N 3.32Å; E420-T424 WeakPolarHBondContact O-CA 3.4Å; E420-T424 WeakPolarHBondContact O-CB 3.28Å; E420-T424 PolarHBondContact O-N 3.29Å; E420-T424 PolarHBondContact O-OG1 2.98Å |
| 421 | A | 62.3 | Low | 60.1 | Low | 62 Ų | 62 | 109.6 Ų | 109.6 | 51% | 0.512 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.1 | -45.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D417 K418 C419 K425 | D417-A421 WeakPolarHBondContact O-CB 3.28Å; D417-A421 PolarHBondContact O-N 2.78Å; K418-A421 PolarHBondContact O-N 3.03Å; C419-A421 VanDerWaalsContact C-N 3.26Å; C419-A421 PolarHBondContact O-N 2.75Å; A421-K425 WeakPolarHBondContact O-CB 3.29Å; A421-K425 PolarHBondContact O-N 3.41Å; A421-K425 VanDerWaalsContact O-N 3.12Å |
| 422 | E | 61.7 | Low | 62.2 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.4 | -36.6 | 174.9 | -69.3 | -165 | 124.7 | 0 | 0 | 112.1 | K418 C419 K425 L426 | K418-E422 PolarHBondContact O-N 2.64Å; C419-E422 PolarHBondContact O-N 3.3Å; C419-E422 VanDerWaalsContact O-N 3.16Å; E422-K425 CarbonylContact O-C 3.58Å; E422-K425 WeakPolarHBondContact O-CB 3.41Å; E422-K425 PolarHBondContact O-N 2.87Å; E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 WeakPolarHBondContact O-CG 3.3Å; E422-L426 PolarHBondContact O-N 2.75Å |
| 423 | L | 61.9 | Low | 63.9 | Low | 65 Ų | 65 | 106.7 Ų | 106.7 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 176.6 | -178.6 | 68.2 | 0 | 0 | 0 | 111.5 | C419 K425 L426 Y427 | C419-L423 WeakPolarHBondContact O-CA 3.39Å; C419-L423 WeakPolarHBondContact O-CB 3.37Å; C419-L423 PolarHBondContact O-N 3.37Å; L423-K425 VanDerWaalsContact C-N 3.34Å; L423-L426 PolarHBondContact O-N 3.04Å; L423-Y427 HydrophobicContact CD1-CD2 4Å; L423-Y427 HydrophobicContact CD1-CE2 3.55Å; L423-Y427 HydrophobicContact CD2-CD2 4.48Å; L423-Y427 HydrophobicContact CD2-CE2 3.84Å; L423-Y427 HydrophobicContact CG-CD2 3.69Å; L423-Y427 HydrophobicContact CG-CE2 3.41Å; L423-Y427 VanDerWaalsContact CG-CE2 3.41Å; L423-Y427 WeakPolarHBondContact O-CA 3.42Å; L423-Y427 WeakPolarHBondContact O-CB 3.46Å; L423-Y427 WeakPolarHBondContact O-CD2 3.41Å; L423-Y427 PolarHBondContact O-N 2.96Å |
| 424 | T | 69 | Low | 65.1 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.1 | -31.6 | 169.7 | -62.8 | 0 | 0 | 0 | 0 | 111 | E420 K428 | E420-T424 WeakPolarHBondContact O-CA 3.4Å; E420-T424 WeakPolarHBondContact O-CB 3.28Å; E420-T424 PolarHBondContact O-N 3.29Å; E420-T424 PolarHBondContact O-OG1 2.98Å; T424-K428 WeakPolarHBondContact O-CB 3.32Å; T424-K428 PolarHBondContact O-N 3.24Å |
| 425 | K | 76.2 | Confident | 66.6 | Low | 143 Ų | 143 | 107.3 Ų | 107.3 | 62% | 0.622 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.4 | -38.7 | 173.3 | -172.6 | -177.3 | 176.6 | -171 | 0 | 111.8 | A421 E422 L423 Q429 | A421-K425 WeakPolarHBondContact O-CB 3.29Å; A421-K425 PolarHBondContact O-N 3.41Å; A421-K425 VanDerWaalsContact O-N 3.12Å; E422-K425 CarbonylContact O-C 3.58Å; E422-K425 WeakPolarHBondContact O-CB 3.41Å; E422-K425 PolarHBondContact O-N 2.87Å; L423-K425 VanDerWaalsContact C-N 3.34Å; K425-Q429 WeakPolarHBondContact O-CG 3.44Å; K425-Q429 PolarHBondContact O-N 2.89Å |
| 426 | L | 72.3 | Confident | 68.5 | Low | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.9 | -43.1 | 175 | -76.1 | 167.8 | 0 | 0 | 0 | 112 | E422 L423 K428 Q429 L430 | E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 WeakPolarHBondContact O-CG 3.3Å; E422-L426 PolarHBondContact O-N 2.75Å; L423-L426 PolarHBondContact O-N 3.04Å; L426-K428 VanDerWaalsContact C-N 3.35Å; L426-Q429 CarbonylContact O-C 3.53Å; L426-Q429 PolarHBondContact O-N 2.68Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 PolarHBondContact O-N 2.64Å |
| 427 | Y | 70.3 | Confident | 70 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 50% | 0.498 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 170.9 | -79.1 | -45.5 | 0 | 0 | 0 | 110.5 | L423 Q429 L430 D431 | L423-Y427 HydrophobicContact CD1-CD2 4Å; L423-Y427 HydrophobicContact CD1-CE2 3.55Å; L423-Y427 HydrophobicContact CD2-CD2 4.48Å; L423-Y427 HydrophobicContact CD2-CE2 3.84Å; L423-Y427 HydrophobicContact CG-CD2 3.69Å; L423-Y427 HydrophobicContact CG-CE2 3.41Å; L423-Y427 VanDerWaalsContact CG-CE2 3.41Å; L423-Y427 WeakPolarHBondContact O-CA 3.42Å; L423-Y427 WeakPolarHBondContact O-CB 3.46Å; L423-Y427 WeakPolarHBondContact O-CD2 3.41Å; L423-Y427 PolarHBondContact O-N 2.96Å; Y427-Q429 VanDerWaalsContact C-N 3.31Å; Y427-Q429 PolarHBondContact O-N 2.75Å; Y427-L430 HydrophobicContact CD1-CD2 4.29Å; Y427-L430 CarbonylContact O-C 3.46Å; Y427-L430 WeakPolarHBondContact O-CA 3.48Å; Y427-L430 WeakPolarHBondContact O-CB 3.31Å; Y427-L430 PolarHBondContact O-N 2.8Å; Y427-D431 WeakPolarHBondContact O-CB 3.11Å; Y427-D431 PolarHBondContact O-N 2.98Å |
| 428 | K | 77.4 | Confident | 71.5 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 173.4 | 177.9 | 160.6 | -177.7 | 159.5 | 0 | 112.3 | T424 L426 L430 D431 D432 | T424-K428 WeakPolarHBondContact O-CB 3.32Å; T424-K428 PolarHBondContact O-N 3.24Å; L426-K428 VanDerWaalsContact C-N 3.35Å; K428-L430 PolarHBondContact O-N 3.09Å; K428-D431 PolarHBondContact O-N 3.45Å; K428-D432 WeakPolarHBondContact O-CB 3.3Å; K428-D432 PolarHBondContact O-N 3.39Å |
| 429 | Q | 78 | Confident | 73.3 | Confident | 111 Ų | 111 | 98.1 Ų | 98.1 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -23.4 | 174.3 | -75.6 | -177.8 | -19.1 | 0 | 0 | 113.4 | K425 L426 Y427 K433 | K425-Q429 WeakPolarHBondContact O-CG 3.44Å; K425-Q429 PolarHBondContact O-N 2.89Å; L426-Q429 CarbonylContact O-C 3.53Å; L426-Q429 PolarHBondContact O-N 2.68Å; Y427-Q429 VanDerWaalsContact C-N 3.31Å; Y427-Q429 PolarHBondContact O-N 2.75Å; Q429-K433 VanDerWaalsContact O-CB 3.31Å; Q429-K433 WeakPolarHBondContact O-CB 3.32Å; Q429-K433 WeakPolarHBondContact O-CG 3.49Å; Q429-K433 PolarHBondContact O-N 3.32Å |
| 430 | L | 73.1 | Confident | 74.9 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 45% | 0.45 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.2 | -46.3 | 172.8 | -170.3 | 66.5 | 0 | 0 | 0 | 110.7 | L426 Y427 K428 K433 D434 | L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 PolarHBondContact O-N 2.64Å; Y427-L430 HydrophobicContact CD1-CD2 4.29Å; Y427-L430 CarbonylContact O-C 3.46Å; Y427-L430 WeakPolarHBondContact O-CA 3.48Å; Y427-L430 WeakPolarHBondContact O-CB 3.31Å; Y427-L430 PolarHBondContact O-N 2.8Å; K428-L430 PolarHBondContact O-N 3.09Å; L430-K433 CarbonylContact O-C 3.19Å; L430-K433 WeakPolarHBondContact O-CA 3.33Å; L430-K433 WeakPolarHBondContact O-CB 3.24Å; L430-K433 PolarHBondContact O-N 2.94Å; L430-D434 WeakPolarHBondContact O-CB 3.45Å; L430-D434 PolarHBondContact O-N 2.94Å |
| 431 | D | 73.9 | Confident | 76.2 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 173.8 | -62.3 | -32 | 0 | 0 | 0 | 110.7 | Y427 K428 K433 D434 E435 | Y427-D431 WeakPolarHBondContact O-CB 3.11Å; Y427-D431 PolarHBondContact O-N 2.98Å; K428-D431 PolarHBondContact O-N 3.45Å; D431-K433 PolarHBondContact O-N 3.37Å; D431-K433 VanDerWaalsContact O-N 3.16Å; D431-D434 PolarHBondContact O-N 3.45Å; D431-E435 VanDerWaalsContact O-CB 3.27Å; D431-E435 WeakPolarHBondContact O-CB 3.35Å; D431-E435 PolarHBondContact O-N 3.36Å |
| 432 | D | 79.1 | Confident | 77.2 | Confident | 89 Ų | 89 | 101.4 Ų | 101.4 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -28.7 | 174.7 | -69.9 | -23.9 | 0 | 0 | 0 | 110.9 | K428 E436 | K428-D432 WeakPolarHBondContact O-CB 3.3Å; K428-D432 PolarHBondContact O-N 3.39Å; D432-E436 PolarHBondContact O-N 3.5Å |
| 433 | K | 79.5 | Confident | 78.5 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -91.2 | -36 | 179.2 | -79.6 | -73.6 | 166.2 | -162.3 | 0 | 114.2 | Q429 L430 D431 E435 E436 I437 | Q429-K433 VanDerWaalsContact O-CB 3.31Å; Q429-K433 WeakPolarHBondContact O-CB 3.32Å; Q429-K433 WeakPolarHBondContact O-CG 3.49Å; Q429-K433 PolarHBondContact O-N 3.32Å; L430-K433 CarbonylContact O-C 3.19Å; L430-K433 WeakPolarHBondContact O-CA 3.33Å; L430-K433 WeakPolarHBondContact O-CB 3.24Å; L430-K433 PolarHBondContact O-N 2.94Å; D431-K433 PolarHBondContact O-N 3.37Å; D431-K433 VanDerWaalsContact O-N 3.16Å; K433-E435 VanDerWaalsContact C-N 3.33Å; K433-E436 WeakPolarHBondContact CE-OE2 3.39Å; K433-E436 IonicContact NZ-OE1 3.51Å; K433-E436 IonicContact NZ-OE2 2.64Å; K433-E436 PolarHBondContact NZ-OE2 3.06Å; K433-E436 WeakPolarHBondContact O-CB 3.35Å; K433-E436 PolarHBondContact O-N 3.1Å; K433-I437 WeakPolarHBondContact O-CB 3.43Å; K433-I437 WeakPolarHBondContact O-CD1 3.39Å; K433-I437 WeakPolarHBondContact O-CG1 3.37Å; K433-I437 PolarHBondContact O-N 3.28Å |
| 434 | D | 76.6 | Confident | 79.7 | Confident | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -32.4 | 174.6 | -80.4 | -20.1 | 0 | 0 | 0 | 110 | L430 D431 I437 N438 | L430-D434 WeakPolarHBondContact O-CB 3.45Å; L430-D434 PolarHBondContact O-N 2.94Å; D431-D434 PolarHBondContact O-N 3.45Å; D434-I437 PolarHBondContact O-N 3.35Å; D434-N438 WeakPolarHBondContact O-CB 3.3Å; D434-N438 PolarHBondContact O-N 2.96Å |
| 435 | E | 80.7 | Confident | 80.6 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 168.3 | -176.9 | 151.8 | -144 | 0 | 0 | 111.6 | D431 K433 N438 Q439 | D431-E435 VanDerWaalsContact O-CB 3.27Å; D431-E435 WeakPolarHBondContact O-CB 3.35Å; D431-E435 PolarHBondContact O-N 3.36Å; K433-E435 VanDerWaalsContact C-N 3.33Å; E435-N438 PolarHBondContact O-N 2.84Å; E435-Q439 WeakPolarHBondContact O-CB 3.35Å; E435-Q439 VanDerWaalsContact O-CG 3.23Å; E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.89Å |
| 436 | E | 86.5 | Confident | 81.1 | Confident | 78 Ų | 78 | 100.7 Ų | 100.7 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 170.8 | -169.5 | -174.9 | 167 | 0 | 0 | 111.9 | D432 K433 Q439 Q440 | D432-E436 PolarHBondContact O-N 3.5Å; K433-E436 WeakPolarHBondContact CE-OE2 3.39Å; K433-E436 IonicContact NZ-OE1 3.51Å; K433-E436 IonicContact NZ-OE2 2.64Å; K433-E436 PolarHBondContact NZ-OE2 3.06Å; K433-E436 WeakPolarHBondContact O-CB 3.35Å; K433-E436 PolarHBondContact O-N 3.1Å; E436-Q439 PolarHBondContact O-N 3.22Å; E436-Q440 WeakPolarHBondContact O-CB 3.3Å; E436-Q440 VanDerWaalsContact O-CG 3.31Å; E436-Q440 WeakPolarHBondContact O-CG 3.44Å; E436-Q440 PolarHBondContact O-N 3.05Å; E436-Q440 PolarHBondContact OE1-NE2 3.34Å |
| 437 | I | 83.8 | Confident | 81.8 | Confident | 90 Ų | 90 | 99.8 Ų | 99.8 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.9 | -72.5 | 163.4 | 0 | 0 | 0 | 111 | K433 D434 Q440 S441 | K433-I437 WeakPolarHBondContact O-CB 3.43Å; K433-I437 WeakPolarHBondContact O-CD1 3.39Å; K433-I437 WeakPolarHBondContact O-CG1 3.37Å; K433-I437 PolarHBondContact O-N 3.28Å; D434-I437 PolarHBondContact O-N 3.35Å; I437-Q440 PolarHBondContact O-N 2.87Å; I437-S441 VanDerWaalsContact O-CB 3.25Å; I437-S441 WeakPolarHBondContact O-CB 3.44Å; I437-S441 PolarHBondContact O-N 2.86Å; I437-S441 PolarHBondContact O-OG 3.32Å |
| 438 | N | 81.2 | Confident | 82.7 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 176.4 | -174.2 | 11.7 | 0 | 0 | 0 | 110.9 | D434 E435 S441 Q442 | D434-N438 WeakPolarHBondContact O-CB 3.3Å; D434-N438 PolarHBondContact O-N 2.96Å; E435-N438 PolarHBondContact O-N 2.84Å; N438-S441 PolarHBondContact O-N 3.09Å; N438-Q442 WeakPolarHBondContact O-CB 3.35Å; N438-Q442 VanDerWaalsContact O-CG 3.28Å; N438-Q442 WeakPolarHBondContact O-CG 3.44Å; N438-Q442 PolarHBondContact O-N 2.88Å; N438-Q442 PolarHBondContact OD1-NE2 3.05Å |
| 439 | Q | 87.5 | Confident | 83.2 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 173.1 | -72.7 | 175.1 | 31.3 | 0 | 0 | 111.9 | E435 E436 L443 | E435-Q439 WeakPolarHBondContact O-CB 3.35Å; E435-Q439 VanDerWaalsContact O-CG 3.23Å; E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.89Å; E436-Q439 PolarHBondContact O-N 3.22Å; Q439-L443 WeakPolarHBondContact O-CB 3.4Å; Q439-L443 PolarHBondContact O-N 3.46Å |
| 440 | Q | 85.1 | Confident | 83.7 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.7 | -71.9 | -179.7 | 24.2 | 0 | 0 | 111.9 | E436 I437 L443 V444 | E436-Q440 WeakPolarHBondContact O-CB 3.3Å; E436-Q440 VanDerWaalsContact O-CG 3.31Å; E436-Q440 WeakPolarHBondContact O-CG 3.44Å; E436-Q440 PolarHBondContact O-N 3.05Å; E436-Q440 PolarHBondContact OE1-NE2 3.34Å; I437-Q440 PolarHBondContact O-N 2.87Å; Q440-L443 PolarHBondContact O-N 3.32Å; Q440-V444 WeakPolarHBondContact O-CG2 3.42Å; Q440-V444 PolarHBondContact O-N 2.86Å |
| 441 | S | 83.4 | Confident | 84.2 | Confident | 68 Ų | 68 | 98.8 Ų | 98.8 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.5 | -60.4 | 0 | 0 | 0 | 0 | 112 | I437 N438 L443 V444 E445 | I437-S441 VanDerWaalsContact O-CB 3.25Å; I437-S441 WeakPolarHBondContact O-CB 3.44Å; I437-S441 PolarHBondContact O-N 2.86Å; I437-S441 PolarHBondContact O-OG 3.32Å; N438-S441 PolarHBondContact O-N 3.09Å; S441-L443 VanDerWaalsContact C-N 3.3Å; S441-L443 PolarHBondContact O-N 3.05Å; S441-V444 PolarHBondContact O-N 3.41Å; S441-E445 PolarHBondContact O-N 3.16Å |
| 442 | Q | 84.9 | Confident | 84.8 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.3 | -32.6 | 173.6 | -71.3 | 176.8 | 39.2 | 0 | 0 | 112.6 | N438 K446 | N438-Q442 WeakPolarHBondContact O-CB 3.35Å; N438-Q442 VanDerWaalsContact O-CG 3.28Å; N438-Q442 WeakPolarHBondContact O-CG 3.44Å; N438-Q442 PolarHBondContact O-N 2.88Å; N438-Q442 PolarHBondContact OD1-NE2 3.05Å; Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 WeakPolarHBondContact O-CD 3.46Å; Q442-K446 VanDerWaalsContact O-CG 3.25Å; Q442-K446 WeakPolarHBondContact O-CG 3.49Å; Q442-K446 PolarHBondContact O-N 3.22Å |
| 443 | L | 89 | Confident | 85.2 | Confident | 101 Ų | 101 | 97.9 Ų | 97.9 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 173.7 | -179.5 | 60.6 | 0 | 0 | 0 | 111.4 | Q439 Q440 S441 K446 L447 | Q439-L443 WeakPolarHBondContact O-CB 3.4Å; Q439-L443 PolarHBondContact O-N 3.46Å; Q440-L443 PolarHBondContact O-N 3.32Å; S441-L443 VanDerWaalsContact C-N 3.3Å; S441-L443 PolarHBondContact O-N 3.05Å; L443-K446 PolarHBondContact O-N 3.4Å; L443-L447 HydrophobicContact CD1-CD1 4.21Å; L443-L447 HydrophobicContact CD1-CG 4.33Å; L443-L447 HydrophobicContact CG-CD1 4.03Å; L443-L447 WeakPolarHBondContact O-CB 3.22Å; L443-L447 VanDerWaalsContact O-CG 3.32Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 3.26Å |
| 444 | V | 85.9 | Confident | 85.4 | Confident | 91 Ų | 91 | 98.9 Ų | 98.9 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | 175.9 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | Q440 S441 K446 L447 K448 | Q440-V444 WeakPolarHBondContact O-CG2 3.42Å; Q440-V444 PolarHBondContact O-N 2.86Å; S441-V444 PolarHBondContact O-N 3.41Å; V444-K446 VanDerWaalsContact C-N 3.35Å; V444-K446 PolarHBondContact O-N 3.01Å; V444-L447 PolarHBondContact O-N 2.92Å; V444-K448 VanDerWaalsContact O-CB 3.23Å; V444-K448 WeakPolarHBondContact O-CB 3.45Å; V444-K448 PolarHBondContact O-N 3.39Å |
| 445 | E | 87.3 | Confident | 85.8 | Confident | 97 Ų | 97 | 100.7 Ų | 100.7 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | -179.8 | -162.4 | 62 | -157.7 | 0 | 0 | 111.9 | S441 K448 Q449 | S441-E445 PolarHBondContact O-N 3.16Å; E445-K448 PolarHBondContact O-N 3.05Å; E445-K448 IonicContact OE1-NZ 3.98Å; E445-K448 PolarHBondContact OE1-NZ 2.84Å; E445-K448 IonicContact OE2-NZ 2.83Å; E445-K448 PolarHBondContact OE2-NZ 3.25Å; E445-Q449 WeakPolarHBondContact O-CB 3.43Å; E445-Q449 PolarHBondContact O-N 2.87Å |
| 446 | K | 88.4 | Confident | 86.2 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 170.8 | -77.9 | 169.9 | -177.5 | 167.1 | 0 | 112.7 | Q442 L443 V444 K448 Q449 Q450 | Q442-K446 WeakPolarHBondContact O-CB 3.49Å; Q442-K446 WeakPolarHBondContact O-CD 3.46Å; Q442-K446 VanDerWaalsContact O-CG 3.25Å; Q442-K446 WeakPolarHBondContact O-CG 3.49Å; Q442-K446 PolarHBondContact O-N 3.22Å; L443-K446 PolarHBondContact O-N 3.4Å; V444-K446 VanDerWaalsContact C-N 3.35Å; V444-K446 PolarHBondContact O-N 3.01Å; K446-K448 VanDerWaalsContact C-N 3.35Å; K446-Q449 PolarHBondContact O-N 3.34Å; K446-Q450 WeakPolarHBondContact O-CG 3.38Å; K446-Q450 PolarHBondContact O-N 2.95Å |
| 447 | L | 87.1 | Confident | 86.4 | Confident | 88 Ų | 88 | 103.7 Ų | 103.7 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 177.5 | -72.3 | 169 | 0 | 0 | 0 | 111.6 | L443 V444 Q450 M451 | L443-L447 HydrophobicContact CD1-CD1 4.21Å; L443-L447 HydrophobicContact CD1-CG 4.33Å; L443-L447 HydrophobicContact CG-CD1 4.03Å; L443-L447 WeakPolarHBondContact O-CB 3.22Å; L443-L447 VanDerWaalsContact O-CG 3.32Å; L443-L447 WeakPolarHBondContact O-CG 3.48Å; L443-L447 PolarHBondContact O-N 3.26Å; V444-L447 PolarHBondContact O-N 2.92Å; L447-Q450 PolarHBondContact O-N 3.43Å; L447-M451 PolarHBondContact O-N 2.85Å |
| 448 | K | 87.8 | Confident | 86.4 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 174.5 | 173.9 | 172.5 | 158.7 | -117.9 | 0 | 112.1 | V444 E445 K446 M451 L452 | V444-K448 VanDerWaalsContact O-CB 3.23Å; V444-K448 WeakPolarHBondContact O-CB 3.45Å; V444-K448 PolarHBondContact O-N 3.39Å; E445-K448 PolarHBondContact O-N 3.05Å; E445-K448 IonicContact OE1-NZ 3.98Å; E445-K448 PolarHBondContact OE1-NZ 2.84Å; E445-K448 IonicContact OE2-NZ 2.83Å; E445-K448 PolarHBondContact OE2-NZ 3.25Å; K446-K448 VanDerWaalsContact C-N 3.35Å; K448-M451 PolarHBondContact O-N 2.99Å; K448-L452 WeakPolarHBondContact O-CG 3.5Å; K448-L452 PolarHBondContact O-N 3.37Å |
| 449 | Q | 89 | Confident | 86.7 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 171.4 | -171.9 | 63.5 | 56.5 | 0 | 0 | 111 | E445 K446 M451 L452 D453 | E445-Q449 WeakPolarHBondContact O-CB 3.43Å; E445-Q449 PolarHBondContact O-N 2.87Å; K446-Q449 PolarHBondContact O-N 3.34Å; Q449-M451 VanDerWaalsContact C-N 3.27Å; Q449-M451 PolarHBondContact O-N 2.87Å; Q449-L452 PolarHBondContact O-N 2.7Å; Q449-L452 VanDerWaalsContact O-N 3.09Å; Q449-D453 PolarHBondContact NE2-OD1 2.93Å; Q449-D453 PolarHBondContact O-N 3.38Å |
| 450 | Q | 87.1 | Confident | 86.7 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -32.6 | 177.1 | -74.4 | 179.1 | -19.7 | 0 | 0 | 113.5 | K446 L447 Q454 | K446-Q450 WeakPolarHBondContact O-CG 3.38Å; K446-Q450 PolarHBondContact O-N 2.95Å; L447-Q450 PolarHBondContact O-N 3.43Å; Q450-Q454 WeakPolarHBondContact O-CB 3.49Å; Q450-Q454 VanDerWaalsContact O-CG 3.31Å; Q450-Q454 WeakPolarHBondContact O-CG 3.39Å; Q450-Q454 PolarHBondContact O-N 3.06Å; Q450-Q454 VanDerWaalsContact O-N 3.14Å |
| 451 | M | 84.4 | Confident | 86.6 | Confident | 119 Ų | 119 | 97.6 Ų | 97.6 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -46.7 | 171.4 | -79 | -174.4 | 62 | 0 | 0 | 112 | L447 K448 Q449 D453 Q454 E455 | L447-M451 PolarHBondContact O-N 2.85Å; K448-M451 PolarHBondContact O-N 2.99Å; Q449-M451 VanDerWaalsContact C-N 3.27Å; Q449-M451 PolarHBondContact O-N 2.87Å; M451-D453 PolarHBondContact O-N 3.09Å; M451-Q454 PolarHBondContact O-N 3.09Å; M451-E455 WeakPolarHBondContact O-CG 3.25Å; M451-E455 PolarHBondContact O-N 3.24Å |
| 452 | L | 86.3 | Confident | 86.8 | Confident | 88 Ų | 88 | 103 Ų | 103 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177.5 | -69.7 | 168.7 | 0 | 0 | 0 | 111.5 | K448 Q449 Q454 E455 E456 | K448-L452 WeakPolarHBondContact O-CG 3.5Å; K448-L452 PolarHBondContact O-N 3.37Å; Q449-L452 PolarHBondContact O-N 2.7Å; Q449-L452 VanDerWaalsContact O-N 3.09Å; L452-Q454 VanDerWaalsContact C-N 3.29Å; L452-Q454 PolarHBondContact O-N 3.32Å; L452-E455 PolarHBondContact O-N 3.12Å; L452-E456 PolarHBondContact O-N 3.38Å |
| 453 | D | 88.3 | Confident | 86.9 | Confident | 80 Ų | 80 | 104.5 Ų | 104.5 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 176 | -59.9 | -13.8 | 0 | 0 | 0 | 111.2 | Q449 M451 L457 | Q449-D453 PolarHBondContact NE2-OD1 2.93Å; Q449-D453 PolarHBondContact O-N 3.38Å; M451-D453 PolarHBondContact O-N 3.09Å; D453-L457 WeakPolarHBondContact O-CB 3.19Å; D453-L457 PolarHBondContact O-N 3.07Å; D453-L457 VanDerWaalsContact O-N 3.14Å |
| 454 | Q | 83.2 | Confident | 86.7 | Confident | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.9 | -38.4 | 176.3 | -76.2 | -176.9 | 14.6 | 0 | 0 | 113.2 | Q450 M451 L452 L457 L458 | Q450-Q454 WeakPolarHBondContact O-CB 3.49Å; Q450-Q454 VanDerWaalsContact O-CG 3.31Å; Q450-Q454 WeakPolarHBondContact O-CG 3.39Å; Q450-Q454 PolarHBondContact O-N 3.06Å; Q450-Q454 VanDerWaalsContact O-N 3.14Å; M451-Q454 PolarHBondContact O-N 3.09Å; L452-Q454 VanDerWaalsContact C-N 3.29Å; L452-Q454 PolarHBondContact O-N 3.32Å; Q454-L457 PolarHBondContact O-N 3.07Å; Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 VanDerWaalsContact O-CG 3.31Å; Q454-L458 WeakPolarHBondContact O-CG 3.26Å; Q454-L458 PolarHBondContact O-N 3.13Å |
| 455 | E | 84.7 | Confident | 86.6 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 175.6 | -75.3 | -170.5 | 158.8 | 0 | 0 | 111.5 | M451 L452 L458 A459 | M451-E455 WeakPolarHBondContact O-CG 3.25Å; M451-E455 PolarHBondContact O-N 3.24Å; L452-E455 PolarHBondContact O-N 3.12Å; E455-L458 PolarHBondContact O-N 2.81Å; E455-A459 VanDerWaalsContact O-CB 3.22Å; E455-A459 WeakPolarHBondContact O-CB 3.29Å; E455-A459 PolarHBondContact O-N 2.85Å |
| 456 | E | 89.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 107 Ų | 107 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 173.7 | -180 | 163.7 | -151.8 | 0 | 0 | 111.8 | L452 A459 S460 | L452-E456 PolarHBondContact O-N 3.38Å; E456-A459 CarbonylContact O-C 3.58Å; E456-A459 PolarHBondContact O-N 3.44Å; E456-S460 PolarHBondContact O-N 2.63Å |
| 457 | L | 89.7 | Confident | 86.4 | Confident | 127 Ų | 127 | 105.7 Ų | 105.7 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | -179.8 | -155.5 | 156.3 | 0 | 0 | 0 | 111.7 | D453 Q454 S460 S461 | D453-L457 WeakPolarHBondContact O-CB 3.19Å; D453-L457 PolarHBondContact O-N 3.07Å; D453-L457 VanDerWaalsContact O-N 3.14Å; Q454-L457 PolarHBondContact O-N 3.07Å; L457-S460 PolarHBondContact O-N 3.29Å; L457-S461 WeakPolarHBondContact O-CB 3.3Å; L457-S461 PolarHBondContact O-N 3.23Å |
| 458 | L | 84.6 | Confident | 86.3 | Confident | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.7 | -39.6 | 169.9 | -73.9 | 170.5 | 0 | 0 | 0 | 112.1 | Q454 E455 S461 R462 | Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 VanDerWaalsContact O-CG 3.31Å; Q454-L458 WeakPolarHBondContact O-CG 3.26Å; Q454-L458 PolarHBondContact O-N 3.13Å; E455-L458 PolarHBondContact O-N 2.81Å; L458-S461 PolarHBondContact O-N 2.92Å; L458-R462 WeakPolarHBondContact O-CG 3.43Å; L458-R462 PolarHBondContact O-N 3.26Å |
| 459 | A | 86.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 106.8 Ų | 106.8 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.2 | -31.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E455 E456 R463 | E455-A459 VanDerWaalsContact O-CB 3.22Å; E455-A459 WeakPolarHBondContact O-CB 3.29Å; E455-A459 PolarHBondContact O-N 2.85Å; E456-A459 CarbonylContact O-C 3.58Å; E456-A459 PolarHBondContact O-N 3.44Å; A459-R463 WeakPolarHBondContact O-CG 3.27Å; A459-R463 PolarHBondContact O-N 2.84Å; A459-R463 PolarHBondContact O-NE 3.48Å |
| 460 | S | 87.9 | Confident | 85.9 | Confident | 46 Ų | 46 | 105.1 Ų | 105.1 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -58.3 | 167.3 | -163.5 | 0 | 0 | 0 | 0 | 109.9 | E456 L457 R462 R463 D464 | E456-S460 PolarHBondContact O-N 2.63Å; L457-S460 PolarHBondContact O-N 3.29Å; S460-R462 PolarHBondContact O-N 2.98Å; S460-R463 CarbonylContact O-C 3.59Å; S460-R463 WeakPolarHBondContact O-CA 3.45Å; S460-R463 WeakPolarHBondContact O-CB 3.4Å; S460-R463 PolarHBondContact O-N 2.91Å; S460-D464 VanDerWaalsContact O-CG 3.25Å; S460-D464 PolarHBondContact O-N 3.11Å; S460-D464 PolarHBondContact OG-OD2 3.3Å |
| 461 | S | 82.5 | Confident | 85.8 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -53.4 | -36.7 | -176.3 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | L457 L458 H465 | L457-S461 WeakPolarHBondContact O-CB 3.3Å; L457-S461 PolarHBondContact O-N 3.23Å; L458-S461 PolarHBondContact O-N 2.92Å; S461-H465 WeakPolarHBondContact O-CB 3.39Å; S461-H465 PolarHBondContact O-N 2.97Å |
| 462 | R | 87.9 | Confident | 85.8 | Confident | 180 Ų | 180 | 102.4 Ų | 102.4 | 68% | 0.679 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66 | -49.4 | 171.5 | -73.3 | -177.8 | -177 | -153 | 3.7 | 113.3 | L458 S460 D464 H465 E466 | L458-R462 WeakPolarHBondContact O-CG 3.43Å; L458-R462 PolarHBondContact O-N 3.26Å; S460-R462 PolarHBondContact O-N 2.98Å; R462-D464 VanDerWaalsContact C-N 3.28Å; R462-D464 PolarHBondContact O-N 2.56Å; R462-H465 PolarHBondContact O-N 3.07Å; R462-E466 WeakPolarHBondContact O-CB 3.32Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 2.99Å |
| 463 | R | 87 | Confident | 85.6 | Confident | 129 Ų | 129 | 102 Ų | 102 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 175 | -74.7 | 174.8 | -73.3 | 169.9 | -2.9 | 111.1 | A459 S460 E466 N467 | A459-R463 WeakPolarHBondContact O-CG 3.27Å; A459-R463 PolarHBondContact O-N 2.84Å; A459-R463 PolarHBondContact O-NE 3.48Å; S460-R463 CarbonylContact O-C 3.59Å; S460-R463 WeakPolarHBondContact O-CA 3.45Å; S460-R463 WeakPolarHBondContact O-CB 3.4Å; S460-R463 PolarHBondContact O-N 2.91Å; R463-E466 PolarHBondContact O-N 2.9Å; R463-N467 VanDerWaalsContact O-CB 3.3Å; R463-N467 WeakPolarHBondContact O-CB 3.27Å; R463-N467 PolarHBondContact O-N 3.48Å; R463-N467 PolarHBondContact O-ND2 3.22Å |
| 464 | D | 86.2 | Confident | 85.6 | Confident | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.9 | -62.5 | -42.6 | 0 | 0 | 0 | 111.4 | S460 R462 L468 | S460-D464 VanDerWaalsContact O-CG 3.25Å; S460-D464 PolarHBondContact O-N 3.11Å; S460-D464 PolarHBondContact OG-OD2 3.3Å; R462-D464 VanDerWaalsContact C-N 3.28Å; R462-D464 PolarHBondContact O-N 2.56Å; D464-L468 WeakPolarHBondContact O-CB 3.48Å; D464-L468 PolarHBondContact O-N 3.09Å |
| 465 | H | 83.1 | Confident | 85.5 | Confident | 126 Ų | 126 | 101 Ų | 101 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 173.5 | -175.5 | 67.1 | 0 | 0 | 0 | 113.1 | S461 R462 L468 Q469 | S461-H465 WeakPolarHBondContact O-CB 3.39Å; S461-H465 PolarHBondContact O-N 2.97Å; R462-H465 PolarHBondContact O-N 3.07Å; H465-L468 PolarHBondContact O-N 3.06Å; H465-Q469 WeakPolarHBondContact O-CB 3.43Å; H465-Q469 PolarHBondContact O-N 3.01Å |
| 466 | E | 86.3 | Confident | 85.3 | Confident | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 175.7 | -73.7 | 169.5 | -171.1 | 0 | 0 | 111.6 | R462 R463 Q469 A470 | R462-E466 WeakPolarHBondContact O-CB 3.32Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 2.99Å; R463-E466 PolarHBondContact O-N 2.9Å; E466-Q469 PolarHBondContact O-N 3.3Å; E466-A470 WeakPolarHBondContact O-CB 3.45Å; E466-A470 PolarHBondContact O-N 3.5Å |
| 467 | N | 84.2 | Confident | 84.9 | Confident | 105 Ų | 105 | 99 Ų | 99 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -46.3 | 172.8 | -72.7 | -32.1 | 0 | 0 | 0 | 111.5 | R463 Q469 A470 E471 | R463-N467 VanDerWaalsContact O-CB 3.3Å; R463-N467 WeakPolarHBondContact O-CB 3.27Å; R463-N467 PolarHBondContact O-N 3.48Å; R463-N467 PolarHBondContact O-ND2 3.22Å; N467-Q469 PolarHBondContact O-N 2.89Å; N467-A470 PolarHBondContact O-N 3.31Å; N467-E471 WeakPolarHBondContact O-CB 3.46Å; N467-E471 PolarHBondContact O-N 3.14Å |
| 468 | L | 85.4 | Confident | 84.5 | Confident | 123 Ų | 123 | 96.4 Ų | 96.4 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.9 | -37.9 | -179.3 | -159.3 | 75.6 | 0 | 0 | 0 | 112.2 | D464 H465 E471 L472 | D464-L468 WeakPolarHBondContact O-CB 3.48Å; D464-L468 PolarHBondContact O-N 3.09Å; H465-L468 PolarHBondContact O-N 3.06Å; L468-E471 PolarHBondContact O-N 3.05Å; L468-L472 WeakPolarHBondContact O-CB 3.42Å; L468-L472 PolarHBondContact O-N 2.79Å |
| 469 | Q | 84.6 | Confident | 84.1 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 175.4 | -172.4 | 62.9 | 61.8 | 0 | 0 | 111.8 | H465 E466 N467 N473 | H465-Q469 WeakPolarHBondContact O-CB 3.43Å; H465-Q469 PolarHBondContact O-N 3.01Å; E466-Q469 PolarHBondContact O-N 3.3Å; N467-Q469 PolarHBondContact O-N 2.89Å; Q469-N473 PolarHBondContact NE2-OD1 3.04Å; Q469-N473 PolarHBondContact O-N 2.9Å; Q469-N473 VanDerWaalsContact O-N 3.1Å; Q469-N473 PolarHBondContact O-ND2 3.01Å; Q469-N473 PolarHBondContact O-OD1 3.27Å |
| 470 | A | 83.9 | Confident | 83.9 | Confident | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E466 N467 N473 R474 | E466-A470 WeakPolarHBondContact O-CB 3.45Å; E466-A470 PolarHBondContact O-N 3.5Å; N467-A470 PolarHBondContact O-N 3.31Å; A470-N473 PolarHBondContact O-N 3.11Å; A470-R474 WeakPolarHBondContact O-CB 3.43Å; A470-R474 PolarHBondContact O-N 2.99Å |
| 471 | E | 85.7 | Confident | 83.3 | Confident | 84 Ų | 84 | 99.3 Ų | 99.3 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.8 | -164.3 | 62.9 | -134.6 | 0 | 0 | 111.6 | N467 L468 R474 L475 | N467-E471 WeakPolarHBondContact O-CB 3.46Å; N467-E471 PolarHBondContact O-N 3.14Å; L468-E471 PolarHBondContact O-N 3.05Å; E471-R474 WeakPolarHBondContact O-CB 3.39Å; E471-R474 PolarHBondContact O-N 3.32Å; E471-R474 IonicContact OE1-CZ 2.73Å; E471-R474 IonicContact OE1-NE 3.39Å; E471-R474 PolarHBondContact OE1-NE 2.78Å; E471-R474 IonicContact OE1-NH2 3.88Å; E471-R474 PolarHBondContact OE1-NH2 3.29Å; E471-R474 IonicContact OE2-NE 2.69Å; E471-L475 HydrophobicContact CG-CD1 4.33Å; E471-L475 WeakPolarHBondContact O-CB 3.04Å; E471-L475 VanDerWaalsContact O-CG 3.31Å; E471-L475 WeakPolarHBondContact O-CG 3.17Å; E471-L475 PolarHBondContact O-N 3.39Å |
| 472 | L | 83.6 | Confident | 82.9 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 177.1 | -171.4 | 145.8 | 0 | 0 | 0 | 112.2 | L468 R474 L475 Q476 | L468-L472 WeakPolarHBondContact O-CB 3.42Å; L468-L472 PolarHBondContact O-N 2.79Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.47Å; L472-L475 PolarHBondContact O-N 2.87Å; L472-Q476 PolarHBondContact O-N 3.39Å |
| 473 | N | 81.6 | Confident | 82.4 | Confident | 78 Ų | 78 | 94.9 Ų | 94.9 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 174.2 | -67.1 | -8.1 | 0 | 0 | 0 | 111.6 | Q469 A470 T477 | Q469-N473 PolarHBondContact NE2-OD1 3.04Å; Q469-N473 PolarHBondContact O-N 2.9Å; Q469-N473 VanDerWaalsContact O-N 3.1Å; Q469-N473 PolarHBondContact O-ND2 3.01Å; Q469-N473 PolarHBondContact O-OD1 3.27Å; A470-N473 PolarHBondContact O-N 3.11Å; N473-T477 PolarHBondContact O-N 3.41Å; N473-T477 VanDerWaalsContact O-N 3.16Å; N473-T477 PolarHBondContact O-OG1 3.49Å |
| 474 | R | 89.1 | Confident | 82 | Confident | 103 Ų | 103 | 93.1 Ų | 93.1 | 39% | 0.389 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 174.4 | -165.2 | -175 | 75.9 | 65.2 | 13.1 | 110.6 | A470 E471 L472 Q476 T477 E478 E901 | A470-R474 WeakPolarHBondContact O-CB 3.43Å; A470-R474 PolarHBondContact O-N 2.99Å; E471-R474 WeakPolarHBondContact O-CB 3.39Å; E471-R474 PolarHBondContact O-N 3.32Å; E471-R474 IonicContact OE1-CZ 2.73Å; E471-R474 IonicContact OE1-NE 3.39Å; E471-R474 PolarHBondContact OE1-NE 2.78Å; E471-R474 IonicContact OE1-NH2 3.88Å; E471-R474 PolarHBondContact OE1-NH2 3.29Å; E471-R474 IonicContact OE2-NE 2.69Å; L472-R474 VanDerWaalsContact C-N 3.33Å; L472-R474 PolarHBondContact O-N 3.47Å; R474-Q476 PolarHBondContact O-N 2.85Å; R474-T477 WeakPolarHBondContact O-CB 3.46Å; R474-T477 PolarHBondContact O-N 3.31Å; R474-T477 VanDerWaalsContact O-N 3.1Å; R474-E478 IonicContact CZ-OE2 2.61Å; R474-E478 IonicContact NH1-OE2 3.55Å; R474-E478 PolarHBondContact NH1-OE2 3.18Å; R474-E478 IonicContact NH2-OE2 3.65Å; R474-E478 PolarHBondContact NH2-OE2 2.9Å; R474-E478 WeakPolarHBondContact O-CB 3.16Å; R474-E478 PolarHBondContact O-N 2.99Å; R474-E901 IonicContact NH1-OE2 2.6Å |
| 475 | L | 80.4 | Confident | 81.5 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 179.8 | -71.2 | 169.2 | 0 | 0 | 0 | 113.2 | E471 L472 N479 | E471-L475 HydrophobicContact CG-CD1 4.33Å; E471-L475 WeakPolarHBondContact O-CB 3.04Å; E471-L475 VanDerWaalsContact O-CG 3.31Å; E471-L475 WeakPolarHBondContact O-CG 3.17Å; E471-L475 PolarHBondContact O-N 3.39Å; L472-L475 PolarHBondContact O-N 2.87Å; L475-N479 VanDerWaalsContact O-CB 3.24Å; L475-N479 WeakPolarHBondContact O-CB 3.37Å; L475-N479 PolarHBondContact O-N 2.98Å |
| 476 | Q | 80.8 | Confident | 81.2 | Confident | 117 Ų | 117 | 93.5 Ų | 93.5 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 171 | -76.6 | -173.2 | -48.8 | 0 | 0 | 111.8 | L472 R474 N479 E480 | L472-Q476 PolarHBondContact O-N 3.39Å; R474-Q476 PolarHBondContact O-N 2.85Å; Q476-N479 PolarHBondContact O-N 3.28Å; Q476-E480 PolarHBondContact O-N 2.86Å |
| 477 | T | 82.3 | Confident | 80.8 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.8 | -42.2 | 179 | -48.8 | 0 | 0 | 0 | 0 | 111.8 | N473 R474 N479 E480 A481 | N473-T477 PolarHBondContact O-N 3.41Å; N473-T477 VanDerWaalsContact O-N 3.16Å; N473-T477 PolarHBondContact O-OG1 3.49Å; R474-T477 WeakPolarHBondContact O-CB 3.46Å; R474-T477 PolarHBondContact O-N 3.31Å; R474-T477 VanDerWaalsContact O-N 3.1Å; T477-N479 VanDerWaalsContact C-N 3.28Å; T477-N479 PolarHBondContact O-N 2.84Å; T477-E480 PolarHBondContact O-N 2.9Å; T477-A481 WeakPolarHBondContact O-CB 3.48Å; T477-A481 PolarHBondContact O-N 3Å |
| 478 | E | 79.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 93.9 Ų | 93.9 | 34% | 0.341 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 174.7 | -165.9 | -178.1 | 146.2 | 0 | 0 | 111.5 | R474 S482 | R474-E478 IonicContact CZ-OE2 2.61Å; R474-E478 IonicContact NH1-OE2 3.55Å; R474-E478 PolarHBondContact NH1-OE2 3.18Å; R474-E478 IonicContact NH2-OE2 3.65Å; R474-E478 PolarHBondContact NH2-OE2 2.9Å; R474-E478 WeakPolarHBondContact O-CB 3.16Å; R474-E478 PolarHBondContact O-N 2.99Å; E478-S482 WeakPolarHBondContact O-CB 3.37Å; E478-S482 PolarHBondContact O-N 3.22Å; E478-S482 PolarHBondContact O-OG 3.44Å |
| 479 | N | 77.8 | Confident | 80.2 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71 | -48 | 177.9 | -168.3 | -30.4 | 0 | 0 | 0 | 112.5 | L475 Q476 T477 A481 S482 K483 | L475-N479 VanDerWaalsContact O-CB 3.24Å; L475-N479 WeakPolarHBondContact O-CB 3.37Å; L475-N479 PolarHBondContact O-N 2.98Å; Q476-N479 PolarHBondContact O-N 3.28Å; T477-N479 VanDerWaalsContact C-N 3.28Å; T477-N479 PolarHBondContact O-N 2.84Å; N479-A481 VanDerWaalsContact C-N 3.34Å; N479-A481 PolarHBondContact O-N 2.92Å; N479-S482 WeakPolarHBondContact O-CB 3.38Å; N479-S482 PolarHBondContact O-N 3.4Å; N479-K483 WeakPolarHBondContact O-CG 3.29Å; N479-K483 PolarHBondContact O-N 3.36Å; N479-K483 VanDerWaalsContact OD1-CE 3.26Å; N479-K483 WeakPolarHBondContact OD1-CE 3.43Å |
| 480 | E | 81.4 | Confident | 79.8 | Confident | 112 Ų | 112 | 93 Ų | 93 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.9 | -62 | -50.5 | 140.4 | 0 | 0 | 112.2 | Q476 T477 K483 E484 | Q476-E480 PolarHBondContact O-N 2.86Å; T477-E480 PolarHBondContact O-N 2.9Å; E480-K483 PolarHBondContact O-N 2.97Å; E480-K483 IonicContact OE1-NZ 2.68Å; E480-K483 PolarHBondContact OE1-NZ 3.1Å; E480-K483 WeakPolarHBondContact OE2-CD 3.45Å; E480-K483 IonicContact OE2-NZ 2.84Å; E480-K483 PolarHBondContact OE2-NZ 3.36Å; E480-E484 PolarHBondContact O-N 3.02Å |
| 481 | A | 75 | Confident | 79.6 | Confident | 54 Ų | 54 | 95.4 Ų | 95.4 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -46 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T477 N479 K483 E484 E485 | T477-A481 WeakPolarHBondContact O-CB 3.48Å; T477-A481 PolarHBondContact O-N 3Å; N479-A481 VanDerWaalsContact C-N 3.34Å; N479-A481 PolarHBondContact O-N 2.92Å; A481-K483 VanDerWaalsContact C-N 3.26Å; A481-K483 PolarHBondContact O-N 3.07Å; A481-E484 PolarHBondContact O-N 3.34Å; A481-E485 PolarHBondContact O-N 3.01Å |
| 482 | S | 74.5 | Confident | 79 | Confident | 57 Ų | 57 | 94 Ų | 94 | 40% | 0.399 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -32 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | E478 N479 V486 | E478-S482 WeakPolarHBondContact O-CB 3.37Å; E478-S482 PolarHBondContact O-N 3.22Å; E478-S482 PolarHBondContact O-OG 3.44Å; N479-S482 WeakPolarHBondContact O-CB 3.38Å; N479-S482 PolarHBondContact O-N 3.4Å; S482-V486 WeakPolarHBondContact O-CB 3.42Å; S482-V486 VanDerWaalsContact O-CG2 3.27Å; S482-V486 WeakPolarHBondContact O-CG2 3.49Å; S482-V486 PolarHBondContact O-N 3.12Å |
| 483 | K | 78.9 | Confident | 78.4 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 176.3 | -69.1 | 176.2 | -159.1 | 166.8 | 0 | 112.4 | N479 E480 A481 V486 K487 | N479-K483 WeakPolarHBondContact O-CG 3.29Å; N479-K483 PolarHBondContact O-N 3.36Å; N479-K483 VanDerWaalsContact OD1-CE 3.26Å; N479-K483 WeakPolarHBondContact OD1-CE 3.43Å; E480-K483 PolarHBondContact O-N 2.97Å; E480-K483 IonicContact OE1-NZ 2.68Å; E480-K483 PolarHBondContact OE1-NZ 3.1Å; E480-K483 WeakPolarHBondContact OE2-CD 3.45Å; E480-K483 IonicContact OE2-NZ 2.84Å; E480-K483 PolarHBondContact OE2-NZ 3.36Å; A481-K483 VanDerWaalsContact C-N 3.26Å; A481-K483 PolarHBondContact O-N 3.07Å; K483-V486 PolarHBondContact O-N 2.98Å; K483-K487 WeakPolarHBondContact O-CB 3.45Å; K483-K487 PolarHBondContact O-N 2.59Å |
| 484 | E | 77.3 | Confident | 78.2 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71 | -38.8 | 179.4 | -163.2 | 68.3 | -172.9 | 0 | 0 | 110.5 | E480 A481 V486 K487 E488 | E480-E484 PolarHBondContact O-N 3.02Å; A481-E484 PolarHBondContact O-N 3.34Å; E484-V486 PolarHBondContact O-N 3.4Å; E484-K487 WeakPolarHBondContact O-CB 3.27Å; E484-K487 PolarHBondContact O-N 3.43Å; E484-K487 VanDerWaalsContact O-N 3.13Å; E484-K487 IonicContact OE1-NZ 3.48Å; E484-K487 PolarHBondContact OE1-NZ 3.33Å; E484-K487 WeakPolarHBondContact OE2-CD 3.37Å; E484-K487 IonicContact OE2-NZ 3.06Å; E484-K487 PolarHBondContact OE2-NZ 2.99Å; E484-E488 PolarHBondContact O-N 2.9Å |
| 485 | E | 76.3 | Confident | 77.6 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 170.2 | -71.4 | -171.9 | 178.9 | 0 | 0 | 112.3 | A481 K487 E488 V489 | A481-E485 PolarHBondContact O-N 3.01Å; E485-K487 VanDerWaalsContact C-N 3.28Å; E485-K487 PolarHBondContact O-N 2.99Å; E485-E488 PolarHBondContact O-N 3.42Å; E485-V489 WeakPolarHBondContact O-CG2 3.3Å; E485-V489 PolarHBondContact O-N 3.49Å |
| 486 | V | 76.8 | Confident | 77.4 | Confident | 89 Ų | 89 | 99 Ų | 99 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -35.9 | 175.4 | 164.6 | 0 | 0 | 0 | 0 | 111.9 | S482 K483 E484 V489 L490 | S482-V486 WeakPolarHBondContact O-CB 3.42Å; S482-V486 VanDerWaalsContact O-CG2 3.27Å; S482-V486 WeakPolarHBondContact O-CG2 3.49Å; S482-V486 PolarHBondContact O-N 3.12Å; K483-V486 PolarHBondContact O-N 2.98Å; E484-V486 PolarHBondContact O-N 3.4Å; V486-V489 PolarHBondContact O-N 2.88Å; V486-L490 HydrophobicContact CG1-CD1 4.11Å; V486-L490 VanDerWaalsContact O-CG 3.31Å; V486-L490 WeakPolarHBondContact O-CG 3.5Å; V486-L490 PolarHBondContact O-N 3.36Å |
| 487 | K | 78.6 | Confident | 77 | Confident | 113 Ų | 113 | 95.9 Ų | 95.9 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -41.2 | 178.3 | 173 | 175.6 | 156.2 | -127 | 0 | 112.3 | K483 E484 E485 V489 L490 Q491 | K483-K487 WeakPolarHBondContact O-CB 3.45Å; K483-K487 PolarHBondContact O-N 2.59Å; E484-K487 WeakPolarHBondContact O-CB 3.27Å; E484-K487 PolarHBondContact O-N 3.43Å; E484-K487 VanDerWaalsContact O-N 3.13Å; E484-K487 IonicContact OE1-NZ 3.48Å; E484-K487 PolarHBondContact OE1-NZ 3.33Å; E484-K487 WeakPolarHBondContact OE2-CD 3.37Å; E484-K487 IonicContact OE2-NZ 3.06Å; E484-K487 PolarHBondContact OE2-NZ 2.99Å; E485-K487 VanDerWaalsContact C-N 3.28Å; E485-K487 PolarHBondContact O-N 2.99Å; K487-V489 VanDerWaalsContact C-N 3.35Å; K487-L490 PolarHBondContact O-N 3.05Å; K487-Q491 PolarHBondContact O-N 2.87Å |
| 488 | E | 79.9 | Confident | 77 | Confident | 128 Ų | 128 | 95.7 Ų | 95.7 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 170.7 | -71.4 | -174 | 172.1 | 0 | 0 | 111.5 | E484 E485 L490 Q491 A492 | E484-E488 PolarHBondContact O-N 2.9Å; E485-E488 PolarHBondContact O-N 3.42Å; E488-L490 PolarHBondContact O-N 3.05Å; E488-Q491 PolarHBondContact O-N 2.94Å; E488-A492 WeakPolarHBondContact O-CB 3.48Å; E488-A492 PolarHBondContact O-N 3.45Å |
| 489 | V | 77 | Confident | 76.8 | Confident | 88 Ų | 88 | 96.8 Ų | 96.8 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.8 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | E485 V486 K487 A492 L493 | E485-V489 WeakPolarHBondContact O-CG2 3.3Å; E485-V489 PolarHBondContact O-N 3.49Å; V486-V489 PolarHBondContact O-N 2.88Å; K487-V489 VanDerWaalsContact C-N 3.35Å; V489-A492 PolarHBondContact O-N 3.18Å; V489-L493 HydrophobicContact CG1-CD1 4.11Å; V489-L493 VanDerWaalsContact O-CG 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.23Å; V489-L493 PolarHBondContact O-N 3.5Å |
| 490 | L | 76 | Confident | 77 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 175.4 | -76.1 | 167.5 | 0 | 0 | 0 | 111.8 | V486 K487 E488 A492 L493 E494 | V486-L490 HydrophobicContact CG1-CD1 4.11Å; V486-L490 VanDerWaalsContact O-CG 3.31Å; V486-L490 WeakPolarHBondContact O-CG 3.5Å; V486-L490 PolarHBondContact O-N 3.36Å; K487-L490 PolarHBondContact O-N 3.05Å; E488-L490 PolarHBondContact O-N 3.05Å; L490-A492 PolarHBondContact O-N 2.92Å; L490-L493 WeakPolarHBondContact O-CB 3.5Å; L490-L493 PolarHBondContact O-N 3.3Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L490-E494 PolarHBondContact O-N 2.97Å |
| 491 | Q | 79.2 | Confident | 77.1 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 176.3 | -172.4 | -177.7 | -35 | 0 | 0 | 111.7 | K487 E488 L493 E494 E495 | K487-Q491 PolarHBondContact O-N 2.87Å; E488-Q491 PolarHBondContact O-N 2.94Å; Q491-L493 PolarHBondContact O-N 2.98Å; Q491-E494 PolarHBondContact O-N 3.26Å; Q491-E495 PolarHBondContact NE2-OE1 3.45Å; Q491-E495 PolarHBondContact O-N 2.72Å |
| 492 | A | 74.2 | Confident | 77.4 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -28.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E488 V489 L490 L496 | E488-A492 WeakPolarHBondContact O-CB 3.48Å; E488-A492 PolarHBondContact O-N 3.45Å; V489-A492 PolarHBondContact O-N 3.18Å; L490-A492 PolarHBondContact O-N 2.92Å; A492-L496 VanDerWaalsContact O-CB 3.3Å; A492-L496 WeakPolarHBondContact O-CB 3.44Å; A492-L496 PolarHBondContact O-N 3.48Å |
| 493 | L | 68.9 | Low | 77.5 | Confident | 97 Ų | 97 | 107.2 Ų | 107.2 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -75.1 | -36.5 | 173.7 | -74.1 | 167.7 | 0 | 0 | 0 | 112.6 | V489 L490 Q491 L496 A497 | V489-L493 HydrophobicContact CG1-CD1 4.11Å; V489-L493 VanDerWaalsContact O-CG 3.29Å; V489-L493 WeakPolarHBondContact O-CG 3.23Å; V489-L493 PolarHBondContact O-N 3.5Å; L490-L493 WeakPolarHBondContact O-CB 3.5Å; L490-L493 PolarHBondContact O-N 3.3Å; L490-L493 VanDerWaalsContact O-N 3.16Å; Q491-L493 PolarHBondContact O-N 2.98Å; L493-L496 PolarHBondContact O-N 3.43Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 2.82Å |
| 494 | E | 78.6 | Confident | 77.5 | Confident | 145 Ų | 145 | 105.2 Ų | 105.2 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -45.5 | 172 | -69.5 | -173.2 | 145.1 | 0 | 0 | 111.2 | L490 Q491 L496 A497 V498 | L490-E494 PolarHBondContact O-N 2.97Å; Q491-E494 PolarHBondContact O-N 3.26Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 2.91Å; E494-A497 PolarHBondContact O-N 3.44Å; E494-V498 PolarHBondContact O-N 2.85Å; E494-V498 VanDerWaalsContact O-N 3.07Å |
| 495 | E | 76.8 | Confident | 77.9 | Confident | 108 Ų | 108 | 105.1 Ų | 105.1 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 174.8 | -71.2 | 178.9 | -156.6 | 0 | 0 | 111.9 | Q491 N499 | Q491-E495 PolarHBondContact NE2-OE1 3.45Å; Q491-E495 PolarHBondContact O-N 2.72Å; E495-N499 PolarHBondContact O-N 3.31Å; E495-N499 VanDerWaalsContact O-N 3.11Å; E495-N499 PolarHBondContact O-ND2 3.44Å |
| 496 | L | 74.7 | Confident | 78.1 | Confident | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -36.7 | 175.8 | -174.7 | 63 | 0 | 0 | 0 | 112.6 | A492 L493 E494 N499 Y500 | A492-L496 VanDerWaalsContact O-CB 3.3Å; A492-L496 WeakPolarHBondContact O-CB 3.44Å; A492-L496 PolarHBondContact O-N 3.48Å; L493-L496 PolarHBondContact O-N 3.43Å; E494-L496 VanDerWaalsContact C-N 3.31Å; E494-L496 PolarHBondContact O-N 2.91Å; L496-N499 PolarHBondContact O-N 3.06Å; L496-Y500 WeakPolarHBondContact O-CB 3.33Å; L496-Y500 PolarHBondContact O-N 3.45Å |
| 497 | A | 73.3 | Confident | 78.2 | Confident | 51 Ų | 51 | 102.8 Ų | 102.8 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L493 E494 N499 Y500 D501 | L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 2.82Å; E494-A497 PolarHBondContact O-N 3.44Å; A497-N499 VanDerWaalsContact C-N 3.33Å; A497-N499 PolarHBondContact O-N 3.04Å; A497-Y500 WeakPolarHBondContact O-CB 3.32Å; A497-Y500 PolarHBondContact O-N 3.13Å; A497-Y500 VanDerWaalsContact O-N 3.11Å; A497-D501 PolarHBondContact O-N 2.92Å |
| 498 | V | 82 | Confident | 78.6 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 58% | 0.582 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | E494 Y500 Q502 | E494-V498 PolarHBondContact O-N 2.85Å; E494-V498 VanDerWaalsContact O-N 3.07Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 3.43Å; V498-Q502 WeakPolarHBondContact O-CB 3.4Å; V498-Q502 PolarHBondContact O-N 3.37Å; V498-Q502 VanDerWaalsContact O-N 3.09Å |
| 499 | N | 75.7 | Confident | 78.9 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 174.4 | -83.5 | -84.1 | 0 | 0 | 0 | 112.8 | E495 L496 A497 K503 | E495-N499 PolarHBondContact O-N 3.31Å; E495-N499 VanDerWaalsContact O-N 3.11Å; E495-N499 PolarHBondContact O-ND2 3.44Å; L496-N499 PolarHBondContact O-N 3.06Å; A497-N499 VanDerWaalsContact C-N 3.33Å; A497-N499 PolarHBondContact O-N 3.04Å; N499-K503 WeakPolarHBondContact O-CB 3.23Å; N499-K503 WeakPolarHBondContact O-CG 3.24Å; N499-K503 PolarHBondContact O-N 3.06Å; N499-K503 VanDerWaalsContact O-N 3.09Å |
| 500 | Y | 82.6 | Confident | 79.2 | Confident | 163 Ų | 163 | 100.7 Ų | 100.7 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.9 | -50.4 | 175.7 | 177.7 | -88.8 | 0 | 0 | 0 | 111.3 | L496 A497 V498 Q502 K503 S504 | L496-Y500 WeakPolarHBondContact O-CB 3.33Å; L496-Y500 PolarHBondContact O-N 3.45Å; A497-Y500 WeakPolarHBondContact O-CB 3.32Å; A497-Y500 PolarHBondContact O-N 3.13Å; A497-Y500 VanDerWaalsContact O-N 3.11Å; V498-Y500 VanDerWaalsContact C-N 3.33Å; V498-Y500 PolarHBondContact O-N 3.43Å; Y500-Q502 VanDerWaalsContact C-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.06Å; Y500-K503 CarbonylContact O-C 3.54Å; Y500-K503 PolarHBondContact O-N 3.2Å; Y500-K503 VanDerWaalsContact O-N 3.14Å; Y500-S504 PolarHBondContact O-N 3.41Å |
| 501 | D | 82.1 | Confident | 79.4 | Confident | 110 Ų | 110 | 98.9 Ų | 98.9 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -43.2 | 179.4 | -75.3 | -7.6 | 0 | 0 | 0 | 111.4 | A497 K503 S504 Q505 | A497-D501 PolarHBondContact O-N 2.92Å; D501-K503 VanDerWaalsContact C-N 3.3Å; D501-K503 PolarHBondContact O-N 2.89Å; D501-S504 WeakPolarHBondContact O-CB 3.26Å; D501-S504 PolarHBondContact O-N 3.45Å; D501-S504 VanDerWaalsContact O-N 3.16Å; D501-Q505 PolarHBondContact O-N 3.44Å |
| 502 | Q | 81.3 | Confident | 79.9 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -35.1 | 176.8 | -166.7 | 173.4 | 22.5 | 0 | 0 | 112.5 | V498 Y500 E506 | V498-Q502 WeakPolarHBondContact O-CB 3.4Å; V498-Q502 PolarHBondContact O-N 3.37Å; V498-Q502 VanDerWaalsContact O-N 3.09Å; Y500-Q502 VanDerWaalsContact C-N 3.34Å; Y500-Q502 PolarHBondContact O-N 3.06Å; Q502-E506 PolarHBondContact O-N 3.43Å |
| 503 | K | 76.6 | Confident | 80.4 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.4 | -31.9 | 173.2 | -79.4 | -71.4 | 170 | -164.9 | 0 | 113.3 | N499 Y500 D501 Q505 E506 V507 | N499-K503 WeakPolarHBondContact O-CB 3.23Å; N499-K503 WeakPolarHBondContact O-CG 3.24Å; N499-K503 PolarHBondContact O-N 3.06Å; N499-K503 VanDerWaalsContact O-N 3.09Å; Y500-K503 CarbonylContact O-C 3.54Å; Y500-K503 PolarHBondContact O-N 3.2Å; Y500-K503 VanDerWaalsContact O-N 3.14Å; D501-K503 VanDerWaalsContact C-N 3.3Å; D501-K503 PolarHBondContact O-N 2.89Å; K503-Q505 VanDerWaalsContact C-N 3.32Å; K503-E506 IonicContact NZ-OE1 2.71Å; K503-E506 IonicContact NZ-OE2 2.59Å; K503-E506 PolarHBondContact NZ-OE2 3.32Å; K503-E506 PolarHBondContact O-N 3.43Å; K503-V507 WeakPolarHBondContact O-CG2 3.39Å; K503-V507 PolarHBondContact O-N 2.85Å; K503-V507 VanDerWaalsContact O-N 3.11Å |
| 504 | S | 79.9 | Confident | 81 | Confident | 61 Ų | 61 | 103 Ų | 103 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 172.7 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | Y500 D501 V507 E508 | Y500-S504 PolarHBondContact O-N 3.41Å; D501-S504 WeakPolarHBondContact O-CB 3.26Å; D501-S504 PolarHBondContact O-N 3.45Å; D501-S504 VanDerWaalsContact O-N 3.16Å; S504-V507 PolarHBondContact O-N 2.83Å; S504-E508 PolarHBondContact O-N 3.37Å |
| 505 | Q | 85 | Confident | 81.4 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.2 | -164.5 | 61.3 | 65.3 | 0 | 0 | 112.5 | D501 K503 V507 E508 D509 | D501-Q505 PolarHBondContact O-N 3.44Å; K503-Q505 VanDerWaalsContact C-N 3.32Å; Q505-V507 VanDerWaalsContact C-N 3.28Å; Q505-V507 PolarHBondContact O-N 2.74Å; Q505-E508 PolarHBondContact NE2-OE2 3.43Å; Q505-E508 PolarHBondContact O-N 2.86Å; Q505-E508 VanDerWaalsContact O-N 3.16Å; Q505-D509 PolarHBondContact NE2-OD1 3.36Å; Q505-D509 PolarHBondContact O-N 3.03Å |
| 506 | E | 82.1 | Confident | 81.9 | Confident | 75 Ų | 75 | 99.8 Ų | 99.8 | 35% | 0.35 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -36.3 | 176.3 | -166.8 | -164.2 | 145.7 | 0 | 0 | 112.5 | Q502 K503 K510 | Q502-E506 PolarHBondContact O-N 3.43Å; K503-E506 IonicContact NZ-OE1 2.71Å; K503-E506 IonicContact NZ-OE2 2.59Å; K503-E506 PolarHBondContact NZ-OE2 3.32Å; K503-E506 PolarHBondContact O-N 3.43Å; E506-K510 HydrophobicContact CG-CD 4.35Å; E506-K510 WeakPolarHBondContact O-CB 3.38Å; E506-K510 WeakPolarHBondContact O-CG 3.49Å; E506-K510 PolarHBondContact O-N 3.4Å; E506-K510 VanDerWaalsContact O-N 3.11Å; E506-K510 IonicContact OE1-NZ 2.59Å; E506-K510 PolarHBondContact OE1-NZ 3.21Å |
| 507 | V | 78.5 | Confident | 82.3 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | K503 S504 Q505 T511 | K503-V507 WeakPolarHBondContact O-CG2 3.39Å; K503-V507 PolarHBondContact O-N 2.85Å; K503-V507 VanDerWaalsContact O-N 3.11Å; S504-V507 PolarHBondContact O-N 2.83Å; Q505-V507 VanDerWaalsContact C-N 3.28Å; Q505-V507 PolarHBondContact O-N 2.74Å; V507-T511 WeakPolarHBondContact O-CB 3.42Å; V507-T511 PolarHBondContact O-N 2.87Å; V507-T511 PolarHBondContact O-OG1 2.78Å |
| 508 | E | 86.8 | Confident | 82.7 | Confident | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178.1 | -157.9 | -165.2 | -117.1 | 0 | 0 | 111.6 | S504 Q505 T511 K512 | S504-E508 PolarHBondContact O-N 3.37Å; Q505-E508 PolarHBondContact NE2-OE2 3.43Å; Q505-E508 PolarHBondContact O-N 2.86Å; Q505-E508 VanDerWaalsContact O-N 3.16Å; E508-T511 WeakPolarHBondContact O-CB 3.23Å; E508-T511 PolarHBondContact O-N 3.14Å; E508-K512 WeakPolarHBondContact O-CE 3.49Å; E508-K512 WeakPolarHBondContact O-CG 3.3Å; E508-K512 PolarHBondContact O-N 2.9Å; E508-K512 WeakPolarHBondContact OE2-CE 3.34Å; E508-K512 IonicContact OE2-NZ 2.72Å; E508-K512 PolarHBondContact OE2-NZ 3.09Å |
| 509 | D | 86.2 | Confident | 83.1 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 179.5 | -65.3 | -22.3 | 0 | 0 | 0 | 112 | Q505 T511 K512 E513 | Q505-D509 PolarHBondContact NE2-OD1 3.36Å; Q505-D509 PolarHBondContact O-N 3.03Å; D509-T511 PolarHBondContact O-N 2.96Å; D509-K512 WeakPolarHBondContact O-CB 3.44Å; D509-K512 PolarHBondContact O-N 3.06Å; D509-K512 VanDerWaalsContact O-N 3.17Å; D509-K512 IonicContact OD1-NZ 2.69Å; D509-K512 PolarHBondContact OD1-NZ 2.98Å; D509-E513 PolarHBondContact O-N 3.34Å; D509-E513 VanDerWaalsContact O-N 3.08Å |
| 510 | K | 82.5 | Confident | 83.6 | Confident | 112 Ų | 112 | 102.8 Ų | 102.8 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -23 | 172.1 | -75.8 | 176.1 | 175.4 | 172.2 | 0 | 113.6 | E506 F514 | E506-K510 HydrophobicContact CG-CD 4.35Å; E506-K510 WeakPolarHBondContact O-CB 3.38Å; E506-K510 WeakPolarHBondContact O-CG 3.49Å; E506-K510 PolarHBondContact O-N 3.4Å; E506-K510 VanDerWaalsContact O-N 3.11Å; E506-K510 IonicContact OE1-NZ 2.59Å; E506-K510 PolarHBondContact OE1-NZ 3.21Å; K510-F514 WeakPolarHBondContact O-CB 3.39Å; K510-F514 PolarHBondContact O-N 2.92Å |
| 511 | T | 81.5 | Confident | 83.5 | Confident | 64 Ų | 64 | 100.8 Ų | 100.8 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | V507 E508 D509 E513 F514 E515 | V507-T511 WeakPolarHBondContact O-CB 3.42Å; V507-T511 PolarHBondContact O-N 2.87Å; V507-T511 PolarHBondContact O-OG1 2.78Å; E508-T511 WeakPolarHBondContact O-CB 3.23Å; E508-T511 PolarHBondContact O-N 3.14Å; D509-T511 PolarHBondContact O-N 2.96Å; T511-E513 PolarHBondContact O-N 3.35Å; T511-F514 PolarHBondContact O-N 3.35Å; T511-E515 WeakPolarHBondContact O-CG 3.43Å; T511-E515 PolarHBondContact O-N 3.03Å |
| 512 | K | 88.4 | Confident | 83.7 | Confident | 95 Ų | 95 | 99.4 Ų | 99.4 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.3 | -59.5 | 159 | -155.9 | 162.8 | 0 | 111.8 | E508 D509 E515 S516 | E508-K512 WeakPolarHBondContact O-CE 3.49Å; E508-K512 WeakPolarHBondContact O-CG 3.3Å; E508-K512 PolarHBondContact O-N 2.9Å; E508-K512 WeakPolarHBondContact OE2-CE 3.34Å; E508-K512 IonicContact OE2-NZ 2.72Å; E508-K512 PolarHBondContact OE2-NZ 3.09Å; D509-K512 WeakPolarHBondContact O-CB 3.44Å; D509-K512 PolarHBondContact O-N 3.06Å; D509-K512 VanDerWaalsContact O-N 3.17Å; D509-K512 IonicContact OD1-NZ 2.69Å; D509-K512 PolarHBondContact OD1-NZ 2.98Å; K512-E515 PolarHBondContact O-N 2.97Å; K512-S516 PolarHBondContact O-N 3.23Å; K512-S516 VanDerWaalsContact O-N 3.09Å |
| 513 | E | 84.8 | Confident | 84 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 172.9 | -69.5 | -177.3 | 157.9 | 0 | 0 | 111.9 | D509 T511 S516 I517 | D509-E513 PolarHBondContact O-N 3.34Å; D509-E513 VanDerWaalsContact O-N 3.08Å; T511-E513 PolarHBondContact O-N 3.35Å; E513-S516 PolarHBondContact O-N 2.92Å; E513-I517 WeakPolarHBondContact O-CG1 3.32Å; E513-I517 PolarHBondContact O-N 3.34Å |
| 514 | F | 81.9 | Confident | 84.3 | Confident | 133 Ų | 133 | 99.4 Ų | 99.4 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -39.5 | 178.7 | -178.1 | -96.7 | 0 | 0 | 0 | 112.7 | K510 T511 I517 S518 | K510-F514 WeakPolarHBondContact O-CB 3.39Å; K510-F514 PolarHBondContact O-N 2.92Å; T511-F514 PolarHBondContact O-N 3.35Å; F514-I517 PolarHBondContact O-N 3.48Å; F514-S518 VanDerWaalsContact O-CB 3.3Å; F514-S518 WeakPolarHBondContact O-CB 3.5Å; F514-S518 PolarHBondContact O-N 3.27Å |
| 515 | E | 86.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 100.2 Ų | 100.2 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 174.3 | -73.5 | 176.5 | 158.7 | 0 | 0 | 111.2 | T511 K512 I517 S518 E519 | T511-E515 WeakPolarHBondContact O-CG 3.43Å; T511-E515 PolarHBondContact O-N 3.03Å; K512-E515 PolarHBondContact O-N 2.97Å; E515-I517 PolarHBondContact O-N 2.97Å; E515-S518 WeakPolarHBondContact O-CB 3.29Å; E515-S518 PolarHBondContact O-N 3.04Å; E515-S518 VanDerWaalsContact O-N 3.14Å; E515-E519 PolarHBondContact O-N 3.28Å |
| 516 | S | 87.1 | Confident | 84.5 | Confident | 65 Ų | 65 | 99.9 Ų | 99.9 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.8 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | K512 E513 S518 E519 E520 | K512-S516 PolarHBondContact O-N 3.23Å; K512-S516 VanDerWaalsContact O-N 3.09Å; E513-S516 PolarHBondContact O-N 2.92Å; S516-S518 VanDerWaalsContact C-N 3.33Å; S516-S518 PolarHBondContact O-N 2.91Å; S516-E519 PolarHBondContact O-N 3.04Å; S516-E520 PolarHBondContact O-N 2.93Å |
| 517 | I | 83.5 | Confident | 84.8 | Confident | 111 Ų | 111 | 100.5 Ų | 100.5 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.2 | -34.8 | 176.2 | -67.4 | 167.1 | 0 | 0 | 0 | 111.3 | E513 F514 E515 E520 L521 | E513-I517 WeakPolarHBondContact O-CG1 3.32Å; E513-I517 PolarHBondContact O-N 3.34Å; F514-I517 PolarHBondContact O-N 3.48Å; E515-I517 PolarHBondContact O-N 2.97Å; I517-E520 PolarHBondContact O-N 3.41Å; I517-L521 WeakPolarHBondContact O-CB 3.37Å; I517-L521 PolarHBondContact O-N 2.97Å |
| 518 | S | 81.9 | Confident | 84.9 | Confident | 60 Ų | 60 | 102.1 Ų | 102.1 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | F514 E515 S516 L521 S522 | F514-S518 VanDerWaalsContact O-CB 3.3Å; F514-S518 WeakPolarHBondContact O-CB 3.5Å; F514-S518 PolarHBondContact O-N 3.27Å; E515-S518 WeakPolarHBondContact O-CB 3.29Å; E515-S518 PolarHBondContact O-N 3.04Å; E515-S518 VanDerWaalsContact O-N 3.14Å; S516-S518 VanDerWaalsContact C-N 3.33Å; S516-S518 PolarHBondContact O-N 2.91Å; S518-L521 PolarHBondContact O-N 3.06Å; S518-S522 WeakPolarHBondContact O-CB 3.46Å; S518-S522 PolarHBondContact O-N 2.91Å |
| 519 | E | 89.7 | Confident | 84.8 | Confident | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -44.9 | 172.5 | -71.3 | -162.9 | 162.2 | 0 | 0 | 112.1 | E515 S516 L521 S522 Q523 | E515-E519 PolarHBondContact O-N 3.28Å; S516-E519 PolarHBondContact O-N 3.04Å; E519-L521 PolarHBondContact O-N 2.9Å; E519-S522 WeakPolarHBondContact O-CB 3.22Å; E519-S522 PolarHBondContact O-N 2.95Å; E519-Q523 WeakPolarHBondContact O-CG 3.38Å; E519-Q523 PolarHBondContact O-N 3.43Å |
| 520 | E | 86.8 | Confident | 84.9 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 173.6 | -78.1 | -164.1 | -152.5 | 0 | 0 | 111.7 | S516 I517 S522 Q523 K524 | S516-E520 PolarHBondContact O-N 2.93Å; I517-E520 PolarHBondContact O-N 3.41Å; E520-S522 VanDerWaalsContact C-N 3.3Å; E520-S522 PolarHBondContact O-N 3.31Å; E520-Q523 PolarHBondContact O-N 3.06Å; E520-K524 WeakPolarHBondContact O-CG 3.39Å; E520-K524 PolarHBondContact O-N 3.46Å |
| 521 | L | 80.4 | Confident | 84.9 | Confident | 121 Ų | 121 | 100.5 Ų | 100.5 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.4 | -40.2 | 178.2 | -176.1 | 63.5 | 0 | 0 | 0 | 111.9 | I517 S518 E519 K524 S525 | I517-L521 WeakPolarHBondContact O-CB 3.37Å; I517-L521 PolarHBondContact O-N 2.97Å; S518-L521 PolarHBondContact O-N 3.06Å; E519-L521 PolarHBondContact O-N 2.9Å; L521-K524 PolarHBondContact O-N 3.04Å; L521-S525 WeakPolarHBondContact O-CB 3.34Å; L521-S525 PolarHBondContact O-N 3.03Å |
| 522 | S | 85.1 | Confident | 84.8 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 174.3 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | S518 E519 E520 S525 S526 | S518-S522 WeakPolarHBondContact O-CB 3.46Å; S518-S522 PolarHBondContact O-N 2.91Å; E519-S522 WeakPolarHBondContact O-CB 3.22Å; E519-S522 PolarHBondContact O-N 2.95Å; E520-S522 VanDerWaalsContact C-N 3.3Å; E520-S522 PolarHBondContact O-N 3.31Å; S522-S525 PolarHBondContact O-N 2.96Å; S522-S526 PolarHBondContact O-N 3.14Å |
| 523 | Q | 89.1 | Confident | 84.6 | Confident | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 175.1 | -68.2 | 178.7 | 29.5 | 0 | 0 | 112.1 | E519 E520 S525 S526 I527 | E519-Q523 WeakPolarHBondContact O-CG 3.38Å; E519-Q523 PolarHBondContact O-N 3.43Å; E520-Q523 PolarHBondContact O-N 3.06Å; Q523-S525 VanDerWaalsContact C-N 3.34Å; Q523-S525 PolarHBondContact O-N 3.17Å; Q523-S526 WeakPolarHBondContact O-CB 3.14Å; Q523-S526 PolarHBondContact O-N 3.45Å; Q523-I527 WeakPolarHBondContact O-CG1 3.49Å; Q523-I527 PolarHBondContact O-N 2.98Å; Q523-I527 VanDerWaalsContact O-N 3.08Å |
| 524 | K | 83.3 | Confident | 84.7 | Confident | 136 Ų | 136 | 99.8 Ų | 99.8 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 176.6 | -63.2 | -61 | 179.4 | -176 | 0 | 111.9 | E520 L521 I527 L528 | E520-K524 WeakPolarHBondContact O-CG 3.39Å; E520-K524 PolarHBondContact O-N 3.46Å; L521-K524 PolarHBondContact O-N 3.04Å; K524-I527 PolarHBondContact O-N 3.06Å; K524-L528 PolarHBondContact O-N 3.15Å |
| 525 | S | 81.6 | Confident | 84.5 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.4 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | L521 S522 Q523 I527 L528 S529 | L521-S525 WeakPolarHBondContact O-CB 3.34Å; L521-S525 PolarHBondContact O-N 3.03Å; S522-S525 PolarHBondContact O-N 2.96Å; Q523-S525 VanDerWaalsContact C-N 3.34Å; Q523-S525 PolarHBondContact O-N 3.17Å; S525-I527 PolarHBondContact O-N 3.18Å; S525-L528 PolarHBondContact O-N 2.87Å; S525-S529 PolarHBondContact O-N 3.25Å |
| 526 | S | 86.3 | Confident | 84.2 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 58% | 0.58 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 174.6 | -172 | 0 | 0 | 0 | 0 | 112.5 | S522 Q523 S529 S530 | S522-S526 PolarHBondContact O-N 3.14Å; Q523-S526 WeakPolarHBondContact O-CB 3.14Å; Q523-S526 PolarHBondContact O-N 3.45Å; S526-S529 PolarHBondContact O-N 3.2Å; S526-S530 PolarHBondContact O-N 2.94Å; S526-S530 VanDerWaalsContact O-N 3.1Å |
| 527 | I | 88.4 | Confident | 84 | Confident | 89 Ų | 89 | 99 Ų | 99 | 46% | 0.456 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.6 | -66.5 | 163.7 | 0 | 0 | 0 | 111.5 | Q523 K524 S525 S530 L531 | Q523-I527 WeakPolarHBondContact O-CG1 3.49Å; Q523-I527 PolarHBondContact O-N 2.98Å; Q523-I527 VanDerWaalsContact O-N 3.08Å; K524-I527 PolarHBondContact O-N 3.06Å; S525-I527 PolarHBondContact O-N 3.18Å; I527-S530 PolarHBondContact O-N 2.86Å; I527-S530 PolarHBondContact O-OG 2.92Å; I527-L531 HydrophobicContact CG2-CD1 3.8Å; I527-L531 WeakPolarHBondContact O-CD1 3.46Å; I527-L531 PolarHBondContact O-N 3.49Å; I527-L531 VanDerWaalsContact O-N 3.09Å |
| 528 | L | 81.8 | Confident | 83.7 | Confident | 128 Ų | 128 | 98.8 Ų | 98.8 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -41.9 | 178.6 | -154 | 164.1 | 0 | 0 | 0 | 110.9 | K524 S525 S530 L531 D532 | K524-L528 PolarHBondContact O-N 3.15Å; S525-L528 PolarHBondContact O-N 2.87Å; L528-S530 PolarHBondContact O-N 2.71Å; L528-L531 PolarHBondContact O-N 2.91Å; L528-D532 PolarHBondContact O-N 3.34Å |
| 529 | S | 83.6 | Confident | 83.5 | Confident | 84 Ų | 84 | 101.8 Ų | 101.8 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 175 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | S525 S526 S533 | S525-S529 PolarHBondContact O-N 3.25Å; S526-S529 PolarHBondContact O-N 3.2Å; S529-S533 PolarHBondContact O-N 3.06Å; S529-S533 VanDerWaalsContact O-N 3.14Å |
| 530 | S | 87.6 | Confident | 83.1 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | S526 I527 L528 D532 S533 E534 | S526-S530 PolarHBondContact O-N 2.94Å; S526-S530 VanDerWaalsContact O-N 3.1Å; I527-S530 PolarHBondContact O-N 2.86Å; I527-S530 PolarHBondContact O-OG 2.92Å; L528-S530 PolarHBondContact O-N 2.71Å; S530-D532 PolarHBondContact O-N 3.36Å; S530-S533 WeakPolarHBondContact O-CB 3.38Å; S530-S533 PolarHBondContact O-N 3.07Å; S530-E534 PolarHBondContact O-N 2.86Å |
| 531 | L | 83.3 | Confident | 82.7 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 173.9 | -94.1 | 88.1 | 0 | 0 | 0 | 112.6 | I527 L528 S533 E534 L535 | I527-L531 HydrophobicContact CG2-CD1 3.8Å; I527-L531 WeakPolarHBondContact O-CD1 3.46Å; I527-L531 PolarHBondContact O-N 3.49Å; I527-L531 VanDerWaalsContact O-N 3.09Å; L528-L531 PolarHBondContact O-N 2.91Å; L531-S533 VanDerWaalsContact C-N 3.32Å; L531-S533 PolarHBondContact O-N 3.2Å; L531-E534 PolarHBondContact O-N 2.93Å; L531-L535 WeakPolarHBondContact O-CB 3.28Å; L531-L535 PolarHBondContact O-N 3.28Å |
| 532 | D | 79.9 | Confident | 82.6 | Confident | 90 Ų | 90 | 97 Ų | 97 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | 179 | -162 | 37.6 | 0 | 0 | 0 | 111.5 | L528 S530 E534 L535 Q536 | L528-D532 PolarHBondContact O-N 3.34Å; S530-D532 PolarHBondContact O-N 3.36Å; D532-E534 PolarHBondContact O-N 2.99Å; D532-L535 PolarHBondContact O-N 3.03Å; D532-Q536 WeakPolarHBondContact O-CB 3.45Å; D532-Q536 PolarHBondContact O-N 2.94Å |
| 533 | S | 84.6 | Confident | 82 | Confident | 54 Ų | 54 | 97.6 Ų | 97.6 | 38% | 0.378 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 170.6 | -170.2 | 0 | 0 | 0 | 0 | 113 | S529 S530 L531 K537 | S529-S533 PolarHBondContact O-N 3.06Å; S529-S533 VanDerWaalsContact O-N 3.14Å; S530-S533 WeakPolarHBondContact O-CB 3.38Å; S530-S533 PolarHBondContact O-N 3.07Å; L531-S533 VanDerWaalsContact C-N 3.32Å; L531-S533 PolarHBondContact O-N 3.2Å; S533-K537 VanDerWaalsContact O-CD 3.31Å; S533-K537 WeakPolarHBondContact O-CD 3.27Å; S533-K537 VanDerWaalsContact O-CG 3.24Å; S533-K537 WeakPolarHBondContact O-CG 3.49Å; S533-K537 PolarHBondContact O-N 3.04Å; S533-K537 WeakPolarHBondContact OG-CE 3.28Å; S533-K537 PolarHBondContact OG-NZ 3.49Å |
| 534 | E | 85.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.9 | -42.7 | 173.6 | -69.9 | -168.9 | 163.9 | 0 | 0 | 112.1 | S530 L531 D532 Q536 K537 L538 | S530-E534 PolarHBondContact O-N 2.86Å; L531-E534 PolarHBondContact O-N 2.93Å; D532-E534 PolarHBondContact O-N 2.99Å; E534-Q536 VanDerWaalsContact C-N 3.31Å; E534-Q536 PolarHBondContact O-N 3.01Å; E534-K537 PolarHBondContact O-N 2.75Å; E534-L538 WeakPolarHBondContact O-CG 3.29Å; E534-L538 PolarHBondContact O-N 3.47Å |
| 535 | L | 78.8 | Confident | 80.9 | Confident | 83 Ų | 83 | 95.9 Ų | 95.9 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 177.2 | -173.9 | 130.4 | 0 | 0 | 0 | 112 | L531 D532 K539 | L531-L535 WeakPolarHBondContact O-CB 3.28Å; L531-L535 PolarHBondContact O-N 3.28Å; D532-L535 PolarHBondContact O-N 3.03Å; L535-K539 HydrophobicContact CD2-CD 4.12Å; L535-K539 WeakPolarHBondContact O-CG 3.42Å; L535-K539 PolarHBondContact O-N 3.24Å |
| 536 | Q | 79.8 | Confident | 80.5 | Confident | 106 Ų | 106 | 98.4 Ų | 98.4 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 172.2 | -174.5 | 171.3 | -16.9 | 0 | 0 | 112.1 | D532 E534 L538 K539 E540 | D532-Q536 WeakPolarHBondContact O-CB 3.45Å; D532-Q536 PolarHBondContact O-N 2.94Å; E534-Q536 VanDerWaalsContact C-N 3.31Å; E534-Q536 PolarHBondContact O-N 3.01Å; Q536-L538 VanDerWaalsContact C-N 3.29Å; Q536-L538 PolarHBondContact O-N 2.65Å; Q536-K539 WeakPolarHBondContact O-CB 3.44Å; Q536-K539 PolarHBondContact O-N 3.48Å; Q536-K539 VanDerWaalsContact O-N 3.16Å; Q536-E540 PolarHBondContact NE2-OE1 3.47Å; Q536-E540 VanDerWaalsContact NE2-OE1 3.15Å; Q536-E540 WeakPolarHBondContact O-CG 3.3Å; Q536-E540 PolarHBondContact O-N 3.29Å |
| 537 | K | 83.8 | Confident | 79.9 | Confident | 110 Ų | 110 | 101 Ų | 101 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.5 | -40.5 | 174.5 | -68.7 | 159.4 | -166.3 | 145.8 | 0 | 111.8 | S533 E534 E540 M541 | S533-K537 VanDerWaalsContact O-CD 3.31Å; S533-K537 WeakPolarHBondContact O-CD 3.27Å; S533-K537 VanDerWaalsContact O-CG 3.24Å; S533-K537 WeakPolarHBondContact O-CG 3.49Å; S533-K537 PolarHBondContact O-N 3.04Å; S533-K537 WeakPolarHBondContact OG-CE 3.28Å; S533-K537 PolarHBondContact OG-NZ 3.49Å; E534-K537 PolarHBondContact O-N 2.75Å; K537-E540 PolarHBondContact O-N 3.11Å; K537-M541 WeakPolarHBondContact O-CG 3.18Å; K537-M541 PolarHBondContact O-N 3.31Å |
| 538 | L | 76.5 | Confident | 79.2 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 175.8 | -72.7 | 170 | 0 | 0 | 0 | 112.2 | E534 Q536 M541 S542 | E534-L538 WeakPolarHBondContact O-CG 3.29Å; E534-L538 PolarHBondContact O-N 3.47Å; Q536-L538 VanDerWaalsContact C-N 3.29Å; Q536-L538 PolarHBondContact O-N 2.65Å; L538-M541 HydrophobicContact CD2-CE 3.95Å; L538-S542 WeakPolarHBondContact O-CB 2.85Å; L538-S542 PolarHBondContact O-N 2.9Å |
| 539 | K | 77.3 | Confident | 78.7 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 172.8 | -74.4 | 166.9 | 176.6 | 169.6 | 0 | 111.7 | L535 Q536 S542 N543 | L535-K539 HydrophobicContact CD2-CD 4.12Å; L535-K539 WeakPolarHBondContact O-CG 3.42Å; L535-K539 PolarHBondContact O-N 3.24Å; Q536-K539 WeakPolarHBondContact O-CB 3.44Å; Q536-K539 PolarHBondContact O-N 3.48Å; Q536-K539 VanDerWaalsContact O-N 3.16Å; K539-S542 PolarHBondContact O-N 2.75Å; K539-N543 PolarHBondContact O-N 3.49Å; K539-N543 PolarHBondContact O-ND2 3.1Å |
| 540 | E | 80.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.6 | -72.9 | 174.3 | -164.5 | 0 | 0 | 112.1 | Q536 K537 S542 N543 H544 | Q536-E540 PolarHBondContact NE2-OE1 3.47Å; Q536-E540 VanDerWaalsContact NE2-OE1 3.15Å; Q536-E540 WeakPolarHBondContact O-CG 3.3Å; Q536-E540 PolarHBondContact O-N 3.29Å; K537-E540 PolarHBondContact O-N 3.11Å; E540-S542 PolarHBondContact O-N 3.39Å; E540-N543 PolarHBondContact O-N 2.93Å; E540-H544 PolarHBondContact O-N 3Å |
| 541 | M | 79.6 | Confident | 77.6 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 173.3 | -72.8 | -155.6 | -60 | 0 | 0 | 112.4 | K537 L538 N543 H544 Q545 | K537-M541 WeakPolarHBondContact O-CG 3.18Å; K537-M541 PolarHBondContact O-N 3.31Å; L538-M541 HydrophobicContact CD2-CE 3.95Å; M541-N543 VanDerWaalsContact C-N 3.34Å; M541-N543 PolarHBondContact O-N 3.41Å; M541-H544 PolarHBondContact O-N 2.69Å; M541-Q545 WeakPolarHBondContact O-CG 3.41Å; M541-Q545 PolarHBondContact O-N 3.42Å |
| 542 | S | 77.4 | Confident | 77 | Confident | 51 Ų | 51 | 105.6 Ų | 105.6 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | L538 K539 E540 Q545 K546 | L538-S542 WeakPolarHBondContact O-CB 2.85Å; L538-S542 PolarHBondContact O-N 2.9Å; K539-S542 PolarHBondContact O-N 2.75Å; E540-S542 PolarHBondContact O-N 3.39Å; S542-Q545 PolarHBondContact O-N 3.26Å; S542-K546 WeakPolarHBondContact O-CG 3.3Å; S542-K546 PolarHBondContact O-N 3.47Å |
| 543 | N | 73.8 | Confident | 76.5 | Confident | 93 Ų | 93 | 106.7 Ų | 106.7 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 176.9 | -72.5 | -24.1 | 0 | 0 | 0 | 112.6 | K539 E540 M541 K546 K547 | K539-N543 PolarHBondContact O-N 3.49Å; K539-N543 PolarHBondContact O-ND2 3.1Å; E540-N543 PolarHBondContact O-N 2.93Å; M541-N543 VanDerWaalsContact C-N 3.34Å; M541-N543 PolarHBondContact O-N 3.41Å; N543-K546 PolarHBondContact O-N 3.26Å; N543-K547 PolarHBondContact O-N 2.9Å |
| 544 | H | 77.1 | Confident | 75.9 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 174.3 | -166.2 | 88 | 0 | 0 | 0 | 112.2 | E540 M541 K547 R548 | E540-H544 PolarHBondContact O-N 3Å; M541-H544 PolarHBondContact O-N 2.69Å; H544-K547 PolarHBondContact O-N 2.99Å; H544-R548 PolarHBondContact CD2-NE 3.24Å; H544-R548 PolarHBondContact NE2-NE 2.99Å; H544-R548 PolarHBondContact NE2-NH2 2.97Å; H544-R548 PolarHBondContact O-N 2.95Å; H544-R548 VanDerWaalsContact O-N 3.11Å |
| 545 | Q | 72.5 | Confident | 75.3 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -44.6 | 172.7 | -73.1 | -178 | 14.4 | 0 | 0 | 111.7 | M541 S542 K547 R548 V549 | M541-Q545 WeakPolarHBondContact O-CG 3.41Å; M541-Q545 PolarHBondContact O-N 3.42Å; S542-Q545 PolarHBondContact O-N 3.26Å; Q545-K547 PolarHBondContact O-N 3.28Å; Q545-R548 PolarHBondContact O-N 3.17Å; Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3Å |
| 546 | K | 71.8 | Confident | 74.9 | Confident | 131 Ų | 131 | 105.3 Ų | 105.3 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.6 | -47.4 | 174.9 | -74.7 | 173.8 | -178.3 | 175.6 | 0 | 111.8 | S542 N543 V549 T550 | S542-K546 WeakPolarHBondContact O-CG 3.3Å; S542-K546 PolarHBondContact O-N 3.47Å; N543-K546 PolarHBondContact O-N 3.26Å; K546-V549 PolarHBondContact O-N 3.02Å; K546-T550 PolarHBondContact O-N 2.86Å; K546-T550 PolarHBondContact O-OG1 2.73Å; K546-T550 VanDerWaalsContact O-OG1 3.13Å |
| 547 | K | 74.4 | Confident | 74.4 | Confident | 139 Ų | 139 | 105.5 Ų | 105.5 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.7 | -51.7 | 176 | -78.8 | -169.3 | 173.1 | -171.7 | 0 | 112.5 | N543 H544 Q545 V549 T550 E551 | N543-K547 PolarHBondContact O-N 2.9Å; H544-K547 PolarHBondContact O-N 2.99Å; Q545-K547 PolarHBondContact O-N 3.28Å; K547-V549 VanDerWaalsContact C-N 3.29Å; K547-V549 PolarHBondContact O-N 3.39Å; K547-T550 WeakPolarHBondContact O-CB 3.13Å; K547-T550 PolarHBondContact O-N 3.11Å; K547-T550 VanDerWaalsContact O-N 3.1Å; K547-E551 VanDerWaalsContact O-CG 3.31Å; K547-E551 WeakPolarHBondContact O-CG 3.35Å; K547-E551 PolarHBondContact O-N 3.45Å |
| 548 | R | 74.2 | Confident | 73.8 | Confident | 149 Ų | 149 | 105.7 Ų | 105.7 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.9 | -37.3 | 178.7 | -74.2 | -170.3 | -175.8 | -158.8 | -0.2 | 113.5 | H544 Q545 E551 M552 | H544-R548 PolarHBondContact CD2-NE 3.24Å; H544-R548 PolarHBondContact NE2-NE 2.99Å; H544-R548 PolarHBondContact NE2-NH2 2.97Å; H544-R548 PolarHBondContact O-N 2.95Å; H544-R548 VanDerWaalsContact O-N 3.11Å; Q545-R548 PolarHBondContact O-N 3.17Å; R548-E551 PolarHBondContact O-N 2.65Å; R548-M552 WeakPolarHBondContact O-CB 3.33Å; R548-M552 VanDerWaalsContact O-CG 3.27Å; R548-M552 WeakPolarHBondContact O-CG 3.37Å; R548-M552 PolarHBondContact O-N 3.03Å |
| 549 | V | 70.8 | Confident | 73.7 | Confident | 92 Ų | 92 | 103.7 Ų | 103.7 | 56% | 0.558 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Q545 K546 K547 M552 M553 | Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3Å; K546-V549 PolarHBondContact O-N 3.02Å; K547-V549 VanDerWaalsContact C-N 3.29Å; K547-V549 PolarHBondContact O-N 3.39Å; V549-M552 PolarHBondContact O-N 3.43Å; V549-M553 WeakPolarHBondContact O-CB 3.48Å; V549-M553 PolarHBondContact O-N 3.31Å |
| 550 | T | 72 | Confident | 73.2 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 112 | K546 K547 M553 S554 | K546-T550 PolarHBondContact O-N 2.86Å; K546-T550 PolarHBondContact O-OG1 2.73Å; K546-T550 VanDerWaalsContact O-OG1 3.13Å; K547-T550 WeakPolarHBondContact O-CB 3.13Å; K547-T550 PolarHBondContact O-N 3.11Å; K547-T550 VanDerWaalsContact O-N 3.1Å; T550-M553 PolarHBondContact O-N 3.29Å; T550-S554 WeakPolarHBondContact O-CB 3.47Å; T550-S554 PolarHBondContact O-N 2.84Å; T550-S554 PolarHBondContact O-OG 3.42Å |
| 551 | E | 75.6 | Confident | 72.4 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 176 | -70.4 | 157.1 | -170.3 | 0 | 0 | 111.7 | K547 R548 M553 S554 S555 | K547-E551 VanDerWaalsContact O-CG 3.31Å; K547-E551 WeakPolarHBondContact O-CG 3.35Å; K547-E551 PolarHBondContact O-N 3.45Å; R548-E551 PolarHBondContact O-N 2.65Å; E551-M553 PolarHBondContact O-N 2.93Å; E551-S554 PolarHBondContact O-N 2.76Å; E551-S555 PolarHBondContact O-N 3.35Å |
| 552 | M | 71.4 | Confident | 71.8 | Confident | 122 Ų | 122 | 100 Ų | 100 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -44.3 | 174.9 | -78 | 170.6 | 48.5 | 0 | 0 | 112.6 | R548 V549 S554 S555 L556 | R548-M552 WeakPolarHBondContact O-CB 3.33Å; R548-M552 VanDerWaalsContact O-CG 3.27Å; R548-M552 WeakPolarHBondContact O-CG 3.37Å; R548-M552 PolarHBondContact O-N 3.03Å; V549-M552 PolarHBondContact O-N 3.43Å; M552-S554 VanDerWaalsContact C-N 3.28Å; M552-S554 PolarHBondContact O-N 2.72Å; M552-S555 PolarHBondContact O-N 2.79Å; M552-L556 PolarHBondContact O-N 3.03Å |
| 553 | M | 70 | Confident | 71 | Confident | 114 Ų | 114 | 102.3 Ų | 102.3 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -35 | 178.9 | -167.9 | 170.9 | 74.8 | 0 | 0 | 111.4 | V549 T550 E551 L557 | V549-M553 WeakPolarHBondContact O-CB 3.48Å; V549-M553 PolarHBondContact O-N 3.31Å; T550-M553 PolarHBondContact O-N 3.29Å; E551-M553 PolarHBondContact O-N 2.93Å; M553-L557 HydrophobicContact CG-CD1 4.36Å; M553-L557 WeakPolarHBondContact O-CB 3.39Å; M553-L557 WeakPolarHBondContact O-CD1 3.31Å; M553-L557 VanDerWaalsContact O-CG 3.26Å; M553-L557 WeakPolarHBondContact O-CG 3.42Å; M553-L557 PolarHBondContact O-N 3.48Å |
| 554 | S | 70.6 | Confident | 70.2 | Confident | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 176 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | T550 E551 M552 K558 | T550-S554 WeakPolarHBondContact O-CB 3.47Å; T550-S554 PolarHBondContact O-N 2.84Å; T550-S554 PolarHBondContact O-OG 3.42Å; E551-S554 PolarHBondContact O-N 2.76Å; M552-S554 VanDerWaalsContact C-N 3.28Å; M552-S554 PolarHBondContact O-N 2.72Å; S554-K558 PolarHBondContact O-N 3.06Å; S554-K558 VanDerWaalsContact O-N 3.12Å |
| 555 | S | 72.3 | Confident | 69.5 | Low | 60 Ų | 60 | 100.9 Ų | 100.9 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -51.2 | 171.7 | -163.6 | 0 | 0 | 0 | 0 | 111.2 | E551 M552 L557 K558 D559 | E551-S555 PolarHBondContact O-N 3.35Å; M552-S555 PolarHBondContact O-N 2.79Å; S555-L557 VanDerWaalsContact C-N 3.26Å; S555-L557 PolarHBondContact O-N 3Å; S555-K558 CarbonylContact O-C 3.59Å; S555-K558 WeakPolarHBondContact O-CA 3.49Å; S555-K558 WeakPolarHBondContact O-CB 3.33Å; S555-K558 PolarHBondContact O-N 3.48Å; S555-D559 PolarHBondContact O-N 3.1Å; S555-D559 PolarHBondContact OG-OD2 3.16Å |
| 556 | L | 71.8 | Confident | 68.8 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 179.8 | -80.6 | 162.6 | 0 | 0 | 0 | 112.8 | M552 L560 | M552-L556 PolarHBondContact O-N 3.03Å; L556-L560 WeakPolarHBondContact O-CB 3.28Å; L556-L560 WeakPolarHBondContact O-CD1 3.45Å; L556-L560 VanDerWaalsContact O-CG 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 3.07Å |
| 557 | L | 69.1 | Low | 68.2 | Low | 110 Ų | 110 | 98 Ų | 98 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.7 | -34.8 | 174.7 | -72.5 | 167.7 | 0 | 0 | 0 | 112.7 | M553 S555 A561 | M553-L557 HydrophobicContact CG-CD1 4.36Å; M553-L557 WeakPolarHBondContact O-CB 3.39Å; M553-L557 WeakPolarHBondContact O-CD1 3.31Å; M553-L557 VanDerWaalsContact O-CG 3.26Å; M553-L557 WeakPolarHBondContact O-CG 3.42Å; M553-L557 PolarHBondContact O-N 3.48Å; S555-L557 VanDerWaalsContact C-N 3.26Å; S555-L557 PolarHBondContact O-N 3Å; L557-A561 WeakPolarHBondContact O-CB 3.47Å; L557-A561 PolarHBondContact O-N 2.89Å; L557-A561 VanDerWaalsContact O-N 3.08Å |
| 558 | K | 72 | Confident | 67 | Low | 114 Ų | 114 | 93.8 Ų | 93.8 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | 173.6 | -179.1 | 178 | 173.3 | -65.9 | 0 | 111.5 | S554 S555 L560 A561 E562 | S554-K558 PolarHBondContact O-N 3.06Å; S554-K558 VanDerWaalsContact O-N 3.12Å; S555-K558 CarbonylContact O-C 3.59Å; S555-K558 WeakPolarHBondContact O-CA 3.49Å; S555-K558 WeakPolarHBondContact O-CB 3.33Å; S555-K558 PolarHBondContact O-N 3.48Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.44Å; K558-A561 WeakPolarHBondContact O-CB 3.4Å; K558-A561 PolarHBondContact O-N 2.81Å; K558-A561 VanDerWaalsContact O-N 3.09Å; K558-E562 WeakPolarHBondContact CE-OE1 3.49Å; K558-E562 IonicContact NZ-OE1 2.8Å; K558-E562 PolarHBondContact NZ-OE1 2.7Å; K558-E562 IonicContact NZ-OE2 3.8Å; K558-E562 PolarHBondContact O-N 2.78Å |
| 559 | D | 72.8 | Confident | 65.7 | Low | 67 Ų | 67 | 90.8 Ų | 90.8 | 36% | 0.358 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 178.2 | -55.4 | -27.7 | 0 | 0 | 0 | 110.6 | S555 E562 I563 | S555-D559 PolarHBondContact O-N 3.1Å; S555-D559 PolarHBondContact OG-OD2 3.16Å; D559-E562 PolarHBondContact O-N 2.82Å; D559-I563 VanDerWaalsContact O-CG1 3.28Å; D559-I563 WeakPolarHBondContact O-CG1 3.33Å; D559-I563 PolarHBondContact O-N 3.5Å |
| 560 | L | 67.6 | Low | 64.8 | Low | 110 Ų | 110 | 93.4 Ų | 93.4 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 172 | -79.8 | 165.9 | 0 | 0 | 0 | 113.2 | L556 K558 G564 | L556-L560 WeakPolarHBondContact O-CB 3.28Å; L556-L560 WeakPolarHBondContact O-CD1 3.45Å; L556-L560 VanDerWaalsContact O-CG 3.27Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 3.07Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.44Å; L560-G564 PolarHBondContact O-N 2.82Å |
| 561 | A | 63.1 | Low | 63.4 | Low | 56 Ų | 56 | 95.2 Ų | 95.2 | 46% | 0.463 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L557 K558 G564 I565 | L557-A561 WeakPolarHBondContact O-CB 3.47Å; L557-A561 PolarHBondContact O-N 2.89Å; L557-A561 VanDerWaalsContact O-N 3.08Å; K558-A561 WeakPolarHBondContact O-CB 3.4Å; K558-A561 PolarHBondContact O-N 2.81Å; K558-A561 VanDerWaalsContact O-N 3.09Å; A561-G564 PolarHBondContact O-N 3.41Å; A561-I565 WeakPolarHBondContact O-CG1 3.45Å; A561-I565 PolarHBondContact O-N 2.81Å |
| 562 | E | 66.8 | Low | 62.1 | Low | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 175.4 | -74.2 | 174.3 | -162.7 | 0 | 0 | 111.9 | K558 D559 G564 I565 A566 | K558-E562 WeakPolarHBondContact CE-OE1 3.49Å; K558-E562 IonicContact NZ-OE1 2.8Å; K558-E562 PolarHBondContact NZ-OE1 2.7Å; K558-E562 IonicContact NZ-OE2 3.8Å; K558-E562 PolarHBondContact O-N 2.78Å; D559-E562 PolarHBondContact O-N 2.82Å; E562-G564 VanDerWaalsContact C-N 3.32Å; E562-G564 PolarHBondContact O-N 2.94Å; E562-I565 PolarHBondContact O-N 3.33Å; E562-A566 WeakPolarHBondContact O-CB 3.42Å; E562-A566 PolarHBondContact O-N 3.22Å |
| 563 | I | 61.5 | Low | 60.7 | Low | 100 Ų | 100 | 99.4 Ų | 99.4 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -42.1 | 169.2 | -69.4 | 164.3 | 0 | 0 | 0 | 110.9 | D559 I565 A566 V567 | D559-I563 VanDerWaalsContact O-CG1 3.28Å; D559-I563 WeakPolarHBondContact O-CG1 3.33Å; D559-I563 PolarHBondContact O-N 3.5Å; I563-I565 VanDerWaalsContact C-N 3.31Å; I563-I565 PolarHBondContact O-N 3.29Å; I563-A566 PolarHBondContact O-N 3.22Å; I563-V567 HydrophobicContact CG2-CG2 4.18Å; I563-V567 WeakPolarHBondContact O-CB 3.48Å; I563-V567 WeakPolarHBondContact O-CG2 3.41Å; I563-V567 PolarHBondContact O-N 3.1Å |
| 564 | G | 57.5 | Low | 59.6 | Low | 46 Ų | 46 | 102.7 Ų | 102.7 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.9 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L560 A561 E562 G568 | L560-G564 PolarHBondContact O-N 2.82Å; A561-G564 PolarHBondContact O-N 3.41Å; E562-G564 VanDerWaalsContact C-N 3.32Å; E562-G564 PolarHBondContact O-N 2.94Å; G564-G568 PolarHBondContact O-N 2.83Å |
| 565 | I | 61.9 | Low | 57.9 | Low | 119 Ų | 119 | 108.8 Ų | 108.8 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.2 | -43.9 | 175.7 | -66.6 | 163.1 | 0 | 0 | 0 | 111 | A561 E562 I563 G568 S569 | A561-I565 WeakPolarHBondContact O-CG1 3.45Å; A561-I565 PolarHBondContact O-N 2.81Å; E562-I565 PolarHBondContact O-N 3.33Å; I563-I565 VanDerWaalsContact C-N 3.31Å; I563-I565 PolarHBondContact O-N 3.29Å; I565-G568 PolarHBondContact O-N 3.38Å; I565-S569 PolarHBondContact O-N 3.19Å; I565-S569 PolarHBondContact O-OG 3.1Å |
| 566 | A | 57.2 | Low | 56.7 | Low | 76 Ų | 76 | 115.2 Ų | 115.2 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.2 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E562 I563 | E562-A566 WeakPolarHBondContact O-CB 3.42Å; E562-A566 PolarHBondContact O-N 3.22Å; I563-A566 PolarHBondContact O-N 3.22Å |
| 567 | V | 59 | Low | 55.5 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 70% | 0.697 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.4 | -26.4 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | I563 S569 | I563-V567 HydrophobicContact CG2-CG2 4.18Å; I563-V567 WeakPolarHBondContact O-CB 3.48Å; I563-V567 WeakPolarHBondContact O-CG2 3.41Å; I563-V567 PolarHBondContact O-N 3.1Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 3.03Å |
| 568 | G | 49 | Very low | 54.3 | Low | 51 Ų | 51 | 111 Ų | 111 | 53% | 0.526 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -77.2 | -10.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G564 I565 N570 | G564-G568 PolarHBondContact O-N 2.83Å; I565-G568 PolarHBondContact O-N 3.38Å; G568-N570 PolarHBondContact O-N 3.42Å |
| 569 | S | 47.3 | Very low | 53.2 | Low | 86 Ų | 86 | 111 Ų | 111 | 60% | 0.601 | 65% | 0.65 | S | S | * | * | trans | -84.1 | 74.4 | -171.5 | -65 | 0 | 0 | 0 | 0 | 113 | I565 V567 D571 | I565-S569 PolarHBondContact O-N 3.19Å; I565-S569 PolarHBondContact O-OG 3.1Å; V567-S569 VanDerWaalsContact C-N 3.33Å; V567-S569 PolarHBondContact O-N 3.03Å; S569-D571 PolarHBondContact O-N 2.73Å | ||
| 570 | N | 51.7 | Low | 52.2 | Low | 147 Ų | 147 | 110 Ų | 110 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | trans | -72.9 | 83.8 | -179.1 | -78.5 | -53 | 0 | 0 | 0 | 114.3 | G568 | G568-N570 PolarHBondContact O-N 3.42Š| ||
| 571 | D | 44 | Very low | 51.5 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 65% | 0.647 | 66% | 0.656 | S | S | * | * | trans | -139.6 | 50.9 | 161.6 | -133.1 | -34.5 | 0 | 0 | 0 | 111.8 | S569 K573 | S569-D571 PolarHBondContact O-N 2.73Å; D571-K573 PolarHBondContact O-N 3.2Å; D571-K573 VanDerWaalsContact O-N 3.14Å; D571-K573 IonicContact OD1-NZ 3.82Å; D571-K573 PolarHBondContact OD1-NZ 3.11Å | ||
| 572 | I | 48.5 | Very low | 51.2 | Low | 162 Ų | 162 | 112.6 Ų | 112.6 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | trans | -73.1 | 102.1 | 170.3 | -58.9 | 176.6 | 0 | 0 | 0 | 108.6 | ||||
| 573 | K | 40.7 | Very low | 50.6 | Low | 166 Ų | 166 | 112.4 Ų | 112.4 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | trans | -110.2 | 135.4 | 163.8 | -76.7 | 175.3 | -175.5 | 118.1 | 0 | 110.1 | D571 | D571-K573 PolarHBondContact O-N 3.2Å; D571-K573 VanDerWaalsContact O-N 3.14Å; D571-K573 IonicContact OD1-NZ 3.82Å; D571-K573 PolarHBondContact OD1-NZ 3.11Å | ||
| 574 | Q | 46.9 | Very low | 50.4 | Low | 182 Ų | 182 | 113.8 Ų | 113.8 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | -65.5 | 140 | -173 | -63.4 | 166.1 | -38.7 | 0 | 0 | 111.6 | ||||
| 575 | H | 35.4 | Very low | 50.4 | Low | 194 Ų | 194 | 118.3 Ų | 118.3 | 90% | 0.898 | 68% | 0.675 | S | S | * | * | trans | -148 | 141 | 142.9 | -118 | -76.4 | 0 | 0 | 0 | 110.4 | ||||
| 576 | E | 46.5 | Very low | 50.3 | Low | 195 Ų | 195 | 118.9 Ų | 118.9 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | trans | -84.6 | 143.6 | -174.6 | -59.5 | 174.4 | 120.9 | 0 | 0 | 111.8 | ||||
| 577 | G | 46.8 | Very low | 50.8 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 88% | 0.876 | 66% | 0.662 | S | S | * | * | trans | 119.3 | 78.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 578 | G | 43.8 | Very low | 51.1 | Low | 41 Ų | 41 | 116.4 Ų | 116.4 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | trans | -179.6 | 55.5 | -180 | 0 | 0 | 0 | 0 | 0 | 116.1 | G580 L581 | G578-G580 PolarHBondContact O-N 3.5Å; G578-L581 PolarHBondContact O-N 2.94Å | ||
| 579 | S | 49.2 | Very low | 51.7 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -12.4 | -178.3 | -167.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 580 | G | 52.8 | Low | 52.6 | Low | 45 Ų | 45 | 118.3 Ų | 118.3 | 46% | 0.464 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G578 I582 D583 E584 | G578-G580 PolarHBondContact O-N 3.5Å; G580-I582 PolarHBondContact O-N 3.27Å; G580-D583 PolarHBondContact O-N 3.18Å; G580-D583 VanDerWaalsContact O-N 3.09Å; G580-E584 PolarHBondContact O-N 3.44Å |
| 581 | L | 53 | Low | 53.2 | Low | 114 Ų | 114 | 116.8 Ų | 116.8 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.2 | -40.6 | -171.5 | -72.5 | 168.7 | 0 | 0 | 0 | 112.4 | G578 D583 E584 E585 | G578-L581 PolarHBondContact O-N 2.94Å; L581-D583 VanDerWaalsContact C-N 3.32Å; L581-D583 PolarHBondContact O-N 3.25Å; L581-E584 PolarHBondContact O-N 2.64Å; L581-E585 WeakPolarHBondContact O-CG 3.28Å; L581-E585 PolarHBondContact O-N 2.91Å |
| 582 | I | 55.7 | Low | 54.4 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 55% | 0.554 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.2 | -38.1 | 176.9 | -62.5 | 173 | 0 | 0 | 0 | 110.9 | G580 F586 | G580-I582 PolarHBondContact O-N 3.27Å; I582-F586 HydrophobicContact CG2-CD2 4Å; I582-F586 HydrophobicContact CG2-CE2 4.31Å; I582-F586 WeakPolarHBondContact O-CB 3.33Å; I582-F586 WeakPolarHBondContact O-CD2 3.36Å; I582-F586 PolarHBondContact O-N 3.34Å |
| 583 | D | 54.5 | Low | 55.4 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -78.8 | -27.5 | -180 | -145.5 | -5.5 | 0 | 0 | 0 | 111.8 | G580 L581 T587 R590 | G580-D583 PolarHBondContact O-N 3.18Å; G580-D583 VanDerWaalsContact O-N 3.09Å; L581-D583 VanDerWaalsContact C-N 3.32Å; L581-D583 PolarHBondContact O-N 3.25Å; D583-T587 WeakPolarHBondContact O-CB 3.47Å; D583-T587 PolarHBondContact O-N 3.29Å; D583-T587 PolarHBondContact O-OG1 3.06Å; D583-R590 IonicContact OD1-CZ 3.81Å; D583-R590 IonicContact OD1-NH2 2.73Å; D583-R590 PolarHBondContact OD1-NH2 2.74Å |
| 584 | E | 57.6 | Low | 56.6 | Low | 129 Ų | 129 | 111.1 Ų | 111.1 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.2 | -48.7 | 166.5 | -73.5 | -174.6 | 148.3 | 0 | 0 | 111.3 | G580 L581 F586 T587 V588 | G580-E584 PolarHBondContact O-N 3.44Å; L581-E584 PolarHBondContact O-N 2.64Å; E584-F586 PolarHBondContact O-N 3.28Å; E584-T587 CarbonylContact O-C 3.56Å; E584-T587 WeakPolarHBondContact O-CA 3.39Å; E584-T587 WeakPolarHBondContact O-CB 3.47Å; E584-T587 PolarHBondContact O-N 3.2Å; E584-V588 WeakPolarHBondContact O-CG2 3.24Å; E584-V588 PolarHBondContact O-N 3.06Å |
| 585 | E | 58 | Low | 57.6 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 66% | 0.664 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 174.4 | -74.3 | -176.3 | 165.2 | 0 | 0 | 111.9 | L581 T587 V588 A589 | L581-E585 WeakPolarHBondContact O-CG 3.28Å; L581-E585 PolarHBondContact O-N 2.91Å; E585-T587 VanDerWaalsContact C-N 3.25Å; E585-T587 PolarHBondContact O-N 2.6Å; E585-V588 PolarHBondContact O-N 3.06Å; E585-A589 VanDerWaalsContact O-CB 3.3Å; E585-A589 WeakPolarHBondContact O-CB 3.25Å; E585-A589 PolarHBondContact O-N 3.19Å |
| 586 | F | 58.9 | Low | 59.2 | Low | 131 Ų | 131 | 103.4 Ų | 103.4 | 58% | 0.575 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.7 | -27.5 | 172.7 | -98.1 | -90.6 | 0 | 0 | 0 | 112.8 | I582 E584 R590 | I582-F586 HydrophobicContact CG2-CD2 4Å; I582-F586 HydrophobicContact CG2-CE2 4.31Å; I582-F586 WeakPolarHBondContact O-CB 3.33Å; I582-F586 WeakPolarHBondContact O-CD2 3.36Å; I582-F586 PolarHBondContact O-N 3.34Å; E584-F586 PolarHBondContact O-N 3.28Å; F586-R590 VanDerWaalsContact O-CB 3.26Å; F586-R590 WeakPolarHBondContact O-CB 3.4Å; F586-R590 WeakPolarHBondContact O-CG 3.47Å; F586-R590 PolarHBondContact O-N 3.45Å; F586-R590 PolarHBondContact O-NE 2.96Å |
| 587 | T | 67.1 | Low | 59.9 | Low | 62 Ų | 62 | 101.7 Ų | 101.7 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -77.3 | -41.3 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | D583 E584 E585 R590 L591 | D583-T587 WeakPolarHBondContact O-CB 3.47Å; D583-T587 PolarHBondContact O-N 3.29Å; D583-T587 PolarHBondContact O-OG1 3.06Å; E584-T587 CarbonylContact O-C 3.56Å; E584-T587 WeakPolarHBondContact O-CA 3.39Å; E584-T587 WeakPolarHBondContact O-CB 3.47Å; E584-T587 PolarHBondContact O-N 3.2Å; E585-T587 VanDerWaalsContact C-N 3.25Å; E585-T587 PolarHBondContact O-N 2.6Å; T587-R590 PolarHBondContact O-N 3.33Å; T587-R590 PolarHBondContact OG1-NH2 3.08Å; T587-L591 HydrophobicContact CG2-CD1 4.25Å; T587-L591 WeakPolarHBondContact O-CB 3.47Å; T587-L591 WeakPolarHBondContact O-CG 3.3Å; T587-L591 PolarHBondContact O-N 3.46Å |
| 588 | V | 64.9 | Low | 61 | Low | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 170.5 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | E584 E585 R590 L591 Y592 | E584-V588 WeakPolarHBondContact O-CG2 3.24Å; E584-V588 PolarHBondContact O-N 3.06Å; E585-V588 PolarHBondContact O-N 3.06Å; V588-R590 PolarHBondContact O-N 2.61Å; V588-L591 PolarHBondContact O-N 3.28Å; V588-Y592 HydrophobicContact CG1-CD2 3.71Å; V588-Y592 HydrophobicContact CG1-CE2 3.78Å; V588-Y592 WeakPolarHBondContact O-CD2 3.42Å; V588-Y592 PolarHBondContact O-N 2.86Å |
| 589 | A | 63 | Low | 62.3 | Low | 45 Ų | 45 | 103.9 Ų | 103.9 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E585 L591 Y592 I593 | E585-A589 VanDerWaalsContact O-CB 3.3Å; E585-A589 WeakPolarHBondContact O-CB 3.25Å; E585-A589 PolarHBondContact O-N 3.19Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.41Å; A589-Y592 PolarHBondContact O-N 3.32Å; A589-I593 WeakPolarHBondContact O-CB 3.29Å; A589-I593 VanDerWaalsContact O-CG1 3.24Å; A589-I593 WeakPolarHBondContact O-CG1 3.19Å; A589-I593 PolarHBondContact O-N 3.22Å |
| 590 | R | 65.9 | Low | 63.3 | Low | 131 Ų | 131 | 102 Ų | 102 | 49% | 0.494 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.8 | -81.1 | 173.9 | -72.2 | -162.1 | -0.1 | 112.1 | D583 F586 T587 V588 S594 | D583-R590 IonicContact OD1-CZ 3.81Å; D583-R590 IonicContact OD1-NH2 2.73Å; D583-R590 PolarHBondContact OD1-NH2 2.74Å; F586-R590 VanDerWaalsContact O-CB 3.26Å; F586-R590 WeakPolarHBondContact O-CB 3.4Å; F586-R590 WeakPolarHBondContact O-CG 3.47Å; F586-R590 PolarHBondContact O-N 3.45Å; F586-R590 PolarHBondContact O-NE 2.96Å; T587-R590 PolarHBondContact O-N 3.33Å; T587-R590 PolarHBondContact OG1-NH2 3.08Å; V588-R590 PolarHBondContact O-N 2.61Å; R590-S594 VanDerWaalsContact O-CB 3.31Å; R590-S594 WeakPolarHBondContact O-CB 2.87Å; R590-S594 PolarHBondContact O-N 3.2Å |
| 591 | L | 64.9 | Low | 64.1 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 176 | -77.3 | 165.3 | 0 | 0 | 0 | 112.1 | T587 V588 A589 S594 K595 | T587-L591 HydrophobicContact CG2-CD1 4.25Å; T587-L591 WeakPolarHBondContact O-CB 3.47Å; T587-L591 WeakPolarHBondContact O-CG 3.3Å; T587-L591 PolarHBondContact O-N 3.46Å; V588-L591 PolarHBondContact O-N 3.28Å; A589-L591 VanDerWaalsContact C-N 3.33Å; A589-L591 PolarHBondContact O-N 3.41Å; L591-S594 WeakPolarHBondContact O-CB 3.41Å; L591-S594 PolarHBondContact O-N 3.39Å; L591-K595 WeakPolarHBondContact O-CB 3.47Å; L591-K595 PolarHBondContact O-N 3.24Å |
| 592 | Y | 67.4 | Low | 65 | Low | 144 Ų | 144 | 106 Ų | 106 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 174.5 | -89.3 | -74.2 | 0 | 0 | 0 | 112.4 | V588 A589 S594 K595 L596 | V588-Y592 HydrophobicContact CG1-CD2 3.71Å; V588-Y592 HydrophobicContact CG1-CE2 3.78Å; V588-Y592 WeakPolarHBondContact O-CD2 3.42Å; V588-Y592 PolarHBondContact O-N 2.86Å; A589-Y592 PolarHBondContact O-N 3.32Å; Y592-S594 VanDerWaalsContact C-N 3.3Å; Y592-S594 PolarHBondContact O-N 3.11Å; Y592-K595 PolarHBondContact O-N 2.86Å; Y592-L596 WeakPolarHBondContact O-CB 3.33Å; Y592-L596 WeakPolarHBondContact O-CG 3.37Å; Y592-L596 PolarHBondContact O-N 2.98Å |
| 593 | I | 70 | Confident | 65.6 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 57% | 0.569 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -38.9 | 174 | -70.2 | 165.9 | 0 | 0 | 0 | 110.8 | A589 K597 | A589-I593 WeakPolarHBondContact O-CB 3.29Å; A589-I593 VanDerWaalsContact O-CG1 3.24Å; A589-I593 WeakPolarHBondContact O-CG1 3.19Å; A589-I593 PolarHBondContact O-N 3.22Å; I593-K597 WeakPolarHBondContact O-CB 3.22Å; I593-K597 PolarHBondContact O-N 3.44Å |
| 594 | S | 65.2 | Low | 66.5 | Low | 75 Ų | 75 | 105.7 Ų | 105.7 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 175.9 | -160.7 | 0 | 0 | 0 | 0 | 112.3 | R590 L591 Y592 K597 S598 | R590-S594 VanDerWaalsContact O-CB 3.31Å; R590-S594 WeakPolarHBondContact O-CB 2.87Å; R590-S594 PolarHBondContact O-N 3.2Å; L591-S594 WeakPolarHBondContact O-CB 3.41Å; L591-S594 PolarHBondContact O-N 3.39Å; Y592-S594 VanDerWaalsContact C-N 3.3Å; Y592-S594 PolarHBondContact O-N 3.11Å; S594-K597 PolarHBondContact O-N 3.27Å; S594-S598 PolarHBondContact O-N 3.11Å |
| 595 | K | 69.3 | Low | 67.2 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 173.5 | -177.4 | -178.8 | 170.3 | -173 | 0 | 111.5 | L591 Y592 K597 S598 E599 | L591-K595 WeakPolarHBondContact O-CB 3.47Å; L591-K595 PolarHBondContact O-N 3.24Å; Y592-K595 PolarHBondContact O-N 2.86Å; K595-K597 VanDerWaalsContact C-N 3.29Å; K595-K597 PolarHBondContact O-N 2.95Å; K595-S598 WeakPolarHBondContact O-CA 3.46Å; K595-S598 VanDerWaalsContact O-CB 3.25Å; K595-S598 WeakPolarHBondContact O-CB 3.04Å; K595-S598 PolarHBondContact O-N 3.08Å; K595-E599 WeakPolarHBondContact CE-OE1 3.47Å; K595-E599 WeakPolarHBondContact CG-OE1 3.44Å; K595-E599 IonicContact NZ-OE1 3.96Å; K595-E599 PolarHBondContact O-N 2.73Å |
| 596 | L | 67.9 | Low | 67.9 | Low | 100 Ų | 100 | 108.1 Ų | 108.1 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.1 | -42.2 | 174.5 | -75 | 166.9 | 0 | 0 | 0 | 111.6 | Y592 S598 E599 V600 | Y592-L596 WeakPolarHBondContact O-CB 3.33Å; Y592-L596 WeakPolarHBondContact O-CG 3.37Å; Y592-L596 PolarHBondContact O-N 2.98Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.9Å; L596-E599 PolarHBondContact O-N 3.15Å; L596-V600 WeakPolarHBondContact O-CB 3.16Å; L596-V600 VanDerWaalsContact O-CG2 3.27Å; L596-V600 WeakPolarHBondContact O-CG2 3.33Å; L596-V600 PolarHBondContact O-N 3.16Å |
| 597 | K | 62.8 | Low | 68.3 | Low | 159 Ų | 159 | 104.6 Ų | 104.6 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -34.1 | 175.3 | -173.8 | 176.6 | -176 | 176 | 0 | 112.6 | I593 S594 K595 K601 | I593-K597 WeakPolarHBondContact O-CB 3.22Å; I593-K597 PolarHBondContact O-N 3.44Å; S594-K597 PolarHBondContact O-N 3.27Å; K595-K597 VanDerWaalsContact C-N 3.29Å; K595-K597 PolarHBondContact O-N 2.95Å; K597-K601 WeakPolarHBondContact O-CB 3.49Å; K597-K601 PolarHBondContact O-N 3.47Å; K597-K601 VanDerWaalsContact O-N 3.17Å |
| 598 | S | 68.6 | Low | 68.6 | Low | 71 Ų | 71 | 108.5 Ų | 108.5 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.8 | -47.5 | 172.8 | -175.9 | 0 | 0 | 0 | 0 | 112 | S594 K595 L596 K601 T602 | S594-S598 PolarHBondContact O-N 3.11Å; K595-S598 WeakPolarHBondContact O-CA 3.46Å; K595-S598 VanDerWaalsContact O-CB 3.25Å; K595-S598 WeakPolarHBondContact O-CB 3.04Å; K595-S598 PolarHBondContact O-N 3.08Å; L596-S598 VanDerWaalsContact C-N 3.3Å; L596-S598 PolarHBondContact O-N 2.9Å; S598-K601 PolarHBondContact O-N 3.28Å; S598-T602 WeakPolarHBondContact O-CB 3.49Å; S598-T602 PolarHBondContact O-N 3.46Å; S598-T602 PolarHBondContact O-OG1 2.87Å |
| 599 | E | 71.2 | Confident | 69 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | -177.8 | -72.1 | 169.1 | -179.3 | 0 | 0 | 111.4 | K595 L596 K601 T602 M603 | K595-E599 WeakPolarHBondContact CE-OE1 3.47Å; K595-E599 WeakPolarHBondContact CG-OE1 3.44Å; K595-E599 IonicContact NZ-OE1 3.96Å; K595-E599 PolarHBondContact O-N 2.73Å; L596-E599 PolarHBondContact O-N 3.15Å; E599-K601 PolarHBondContact O-N 3.48Å; E599-T602 CarbonylContact O-C 3.56Å; E599-T602 WeakPolarHBondContact O-CB 3.48Å; E599-T602 PolarHBondContact O-N 3.01Å; E599-T602 VanDerWaalsContact O-N 3.13Å; E599-M603 WeakPolarHBondContact O-CB 3.27Å; E599-M603 PolarHBondContact O-N 3.23Å |
| 600 | V | 70.1 | Confident | 69.4 | Low | 75 Ų | 75 | 114.2 Ų | 114.2 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -42.9 | 172.3 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | L596 T602 M603 V604 | L596-V600 WeakPolarHBondContact O-CB 3.16Å; L596-V600 VanDerWaalsContact O-CG2 3.27Å; L596-V600 WeakPolarHBondContact O-CG2 3.33Å; L596-V600 PolarHBondContact O-N 3.16Å; V600-T602 PolarHBondContact O-N 3.32Å; V600-M603 PolarHBondContact O-N 2.94Å; V600-V604 HydrophobicContact CG1-CG2 4.39Å; V600-V604 WeakPolarHBondContact O-CB 3.47Å; V600-V604 WeakPolarHBondContact O-CG2 3.45Å; V600-V604 PolarHBondContact O-N 3.37Å |
| 601 | K | 69.3 | Low | 69.6 | Low | 154 Ų | 154 | 113.8 Ų | 113.8 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -29.5 | 177.2 | -169.2 | 175.2 | -173.6 | -179.3 | 0 | 112.4 | K597 S598 E599 K605 | K597-K601 WeakPolarHBondContact O-CB 3.49Å; K597-K601 PolarHBondContact O-N 3.47Å; K597-K601 VanDerWaalsContact O-N 3.17Å; S598-K601 PolarHBondContact O-N 3.28Å; E599-K601 PolarHBondContact O-N 3.48Å; K601-K605 PolarHBondContact O-N 2.86Å |
| 602 | T | 72.8 | Confident | 70.3 | Confident | 89 Ų | 89 | 110.3 Ų | 110.3 | 55% | 0.546 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.7 | -41.7 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | S598 E599 V600 K605 R606 | S598-T602 WeakPolarHBondContact O-CB 3.49Å; S598-T602 PolarHBondContact O-N 3.46Å; S598-T602 PolarHBondContact O-OG1 2.87Å; E599-T602 CarbonylContact O-C 3.56Å; E599-T602 WeakPolarHBondContact O-CB 3.48Å; E599-T602 PolarHBondContact O-N 3.01Å; E599-T602 VanDerWaalsContact O-N 3.13Å; V600-T602 PolarHBondContact O-N 3.32Å; T602-K605 WeakPolarHBondContact O-CB 3.41Å; T602-K605 PolarHBondContact O-N 2.83Å; T602-R606 PolarHBondContact O-N 3.38Å |
| 603 | M | 68.3 | Low | 70.6 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 174.6 | -170.5 | 167 | 69.8 | 0 | 0 | 111.5 | E599 V600 K605 R606 C607 | E599-M603 WeakPolarHBondContact O-CB 3.27Å; E599-M603 PolarHBondContact O-N 3.23Å; V600-M603 PolarHBondContact O-N 2.94Å; M603-K605 VanDerWaalsContact C-N 3.33Å; M603-K605 PolarHBondContact O-N 2.99Å; M603-R606 CarbonylContact O-C 3.56Å; M603-R606 WeakPolarHBondContact O-CA 3.26Å; M603-R606 WeakPolarHBondContact O-CB 3.39Å; M603-R606 PolarHBondContact O-N 3.14Å; M603-C607 PolarHBondContact O-N 3.1Å; M603-C607 PolarHBondContact O-SG 3.49Å; M603-C607 VanDerWaalsContact O-SG 3.32Å |
| 604 | V | 73.2 | Confident | 70.5 | Confident | 76 Ų | 76 | 108.6 Ų | 108.6 | 46% | 0.461 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 175.2 | 169 | 0 | 0 | 0 | 0 | 112.2 | V600 R606 K608 | V600-V604 HydrophobicContact CG1-CG2 4.39Å; V600-V604 WeakPolarHBondContact O-CB 3.47Å; V600-V604 WeakPolarHBondContact O-CG2 3.45Å; V600-V604 PolarHBondContact O-N 3.37Å; V604-R606 VanDerWaalsContact C-N 3.34Å; V604-K608 PolarHBondContact O-N 2.82Å; V604-K608 VanDerWaalsContact O-N 3.16Å |
| 605 | K | 73.4 | Confident | 71.1 | Confident | 153 Ų | 153 | 108.2 Ų | 108.2 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 171.1 | -88 | -170.1 | 170.7 | -170.4 | 0 | 112 | K601 T602 M603 K608 Q609 | K601-K605 PolarHBondContact O-N 2.86Å; T602-K605 WeakPolarHBondContact O-CB 3.41Å; T602-K605 PolarHBondContact O-N 2.83Å; M603-K605 VanDerWaalsContact C-N 3.33Å; M603-K605 PolarHBondContact O-N 2.99Å; K605-K608 PolarHBondContact O-N 2.83Å; K605-Q609 PolarHBondContact O-N 2.76Å; K605-Q609 VanDerWaalsContact O-N 3.16Å |
| 606 | R | 72.6 | Confident | 71.4 | Confident | 169 Ų | 169 | 109 Ų | 109 | 64% | 0.638 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.2 | -38.7 | -179 | -165.3 | 172.5 | -174.5 | 154.3 | 1.6 | 112.5 | T602 M603 V604 Q609 L610 | T602-R606 PolarHBondContact O-N 3.38Å; M603-R606 CarbonylContact O-C 3.56Å; M603-R606 WeakPolarHBondContact O-CA 3.26Å; M603-R606 WeakPolarHBondContact O-CB 3.39Å; M603-R606 PolarHBondContact O-N 3.14Å; V604-R606 VanDerWaalsContact C-N 3.34Å; R606-Q609 PolarHBondContact O-N 3.41Å; R606-L610 WeakPolarHBondContact O-CG 3.45Å; R606-L610 PolarHBondContact O-N 2.91Å |
| 607 | C | 66.4 | Low | 71.6 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 170.4 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | M603 Q609 L610 E611 | M603-C607 PolarHBondContact O-N 3.1Å; M603-C607 PolarHBondContact O-SG 3.49Å; M603-C607 VanDerWaalsContact O-SG 3.32Å; C607-Q609 VanDerWaalsContact C-N 3.29Å; C607-Q609 PolarHBondContact O-N 2.94Å; C607-L610 CarbonylContact O-C 3.57Å; C607-L610 PolarHBondContact O-N 3.44Å; C607-E611 WeakPolarHBondContact O-CG 3.35Å; C607-E611 PolarHBondContact O-N 3.13Å |
| 608 | K | 73.6 | Confident | 71.9 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -30.9 | 177.3 | -72.4 | -168.4 | 172.3 | -161.1 | 0 | 114.6 | V604 K605 E611 G612 | V604-K608 PolarHBondContact O-N 2.82Å; V604-K608 VanDerWaalsContact O-N 3.16Å; K605-K608 PolarHBondContact O-N 2.83Å; K608-E611 WeakPolarHBondContact CA-OE2 3.49Å; K608-G612 PolarHBondContact O-N 2.87Å |
| 609 | Q | 73.6 | Confident | 72.5 | Confident | 138 Ų | 138 | 106.2 Ų | 106.2 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -39.6 | 172.1 | -71.6 | -178 | -61.2 | 0 | 0 | 112 | K605 R606 C607 G612 I613 | K605-Q609 PolarHBondContact O-N 2.76Å; K605-Q609 VanDerWaalsContact O-N 3.16Å; R606-Q609 PolarHBondContact O-N 3.41Å; C607-Q609 VanDerWaalsContact C-N 3.29Å; C607-Q609 PolarHBondContact O-N 2.94Å; Q609-G612 PolarHBondContact O-N 3.48Å; Q609-I613 WeakPolarHBondContact O-CG1 3.49Å; Q609-I613 PolarHBondContact O-N 3.26Å |
| 610 | L | 71.3 | Confident | 72.8 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 175.8 | -68.7 | 168.1 | 0 | 0 | 0 | 112 | R606 C607 G612 I613 Q614 | R606-L610 WeakPolarHBondContact O-CG 3.45Å; R606-L610 PolarHBondContact O-N 2.91Å; C607-L610 CarbonylContact O-C 3.57Å; C607-L610 PolarHBondContact O-N 3.44Å; L610-G612 VanDerWaalsContact C-N 3.3Å; L610-G612 PolarHBondContact O-N 3.37Å; L610-I613 PolarHBondContact O-N 2.89Å; L610-Q614 VanDerWaalsContact O-CB 3.32Å; L610-Q614 WeakPolarHBondContact O-CB 3.38Å; L610-Q614 PolarHBondContact O-N 2.81Å |
| 611 | E | 70.1 | Confident | 72.9 | Confident | 122 Ų | 122 | 109.3 Ų | 109.3 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.7 | -40.7 | 171.8 | -72.1 | 165.7 | 174.9 | 0 | 0 | 111.7 | C607 K608 S615 | C607-E611 WeakPolarHBondContact O-CG 3.35Å; C607-E611 PolarHBondContact O-N 3.13Å; K608-E611 WeakPolarHBondContact CA-OE2 3.49Å; E611-S615 WeakPolarHBondContact O-CB 3.35Å; E611-S615 PolarHBondContact O-N 2.83Å |
| 612 | G | 78.4 | Confident | 73.2 | Confident | 41 Ų | 41 | 105.8 Ų | 105.8 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K608 Q609 L610 Q614 S615 E616 | K608-G612 PolarHBondContact O-N 2.87Å; Q609-G612 PolarHBondContact O-N 3.48Å; L610-G612 VanDerWaalsContact C-N 3.3Å; L610-G612 PolarHBondContact O-N 3.37Å; G612-Q614 VanDerWaalsContact C-N 3.34Å; G612-Q614 PolarHBondContact O-N 2.85Å; G612-S615 WeakPolarHBondContact O-CB 3.41Å; G612-S615 PolarHBondContact O-N 3.49Å; G612-E616 PolarHBondContact O-N 3.3Å |
| 613 | I | 75 | Confident | 73.6 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 54% | 0.544 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 178.6 | -65.7 | 164.6 | 0 | 0 | 0 | 111.1 | Q609 L610 E616 S617 | Q609-I613 WeakPolarHBondContact O-CG1 3.49Å; Q609-I613 PolarHBondContact O-N 3.26Å; L610-I613 PolarHBondContact O-N 2.89Å; I613-E616 PolarHBondContact O-N 2.79Å; I613-S617 WeakPolarHBondContact O-CB 3.43Å; I613-S617 PolarHBondContact O-N 3.48Å |
| 614 | Q | 68.1 | Low | 73.8 | Confident | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.1 | -170.9 | 67.6 | 60.4 | 0 | 0 | 111.4 | L610 G612 S617 N618 | L610-Q614 VanDerWaalsContact O-CB 3.32Å; L610-Q614 WeakPolarHBondContact O-CB 3.38Å; L610-Q614 PolarHBondContact O-N 2.81Å; G612-Q614 VanDerWaalsContact C-N 3.34Å; G612-Q614 PolarHBondContact O-N 2.85Å; Q614-S617 PolarHBondContact O-N 3.45Å; Q614-N618 PolarHBondContact NE2-OD1 3.36Å; Q614-N618 WeakPolarHBondContact O-CB 3.47Å; Q614-N618 PolarHBondContact O-N 3.38Å; Q614-N618 PolarHBondContact O-OD1 2.85Å; Q614-N618 VanDerWaalsContact O-OD1 3.06Å |
| 615 | S | 77.7 | Confident | 73.9 | Confident | 67 Ų | 67 | 108.3 Ų | 108.3 | 47% | 0.469 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | E611 G612 N618 K619 | E611-S615 WeakPolarHBondContact O-CB 3.35Å; E611-S615 PolarHBondContact O-N 2.83Å; G612-S615 WeakPolarHBondContact O-CB 3.41Å; G612-S615 PolarHBondContact O-N 3.49Å; S615-N618 PolarHBondContact O-N 2.85Å; S615-K619 WeakPolarHBondContact O-CG 3.35Å; S615-K619 PolarHBondContact O-N 2.8Å; S615-K619 VanDerWaalsContact O-N 3.08Å |
| 616 | E | 75.4 | Confident | 74.4 | Confident | 131 Ų | 131 | 106.9 Ų | 106.9 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.3 | -38.5 | 177.3 | -169.1 | 166.7 | -133.8 | 0 | 0 | 112.7 | G612 I613 K619 K620 | G612-E616 PolarHBondContact O-N 3.3Å; I613-E616 PolarHBondContact O-N 2.79Å; E616-K619 PolarHBondContact O-N 3.23Å; E616-K620 PolarHBondContact O-N 3.19Å |
| 617 | S | 70.9 | Confident | 74.7 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 172.8 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | I613 Q614 K620 M621 | I613-S617 WeakPolarHBondContact O-CB 3.43Å; I613-S617 PolarHBondContact O-N 3.48Å; Q614-S617 PolarHBondContact O-N 3.45Å; S617-K620 PolarHBondContact O-N 2.86Å; S617-M621 PolarHBondContact O-N 3.27Å |
| 618 | N | 70.1 | Confident | 74.9 | Confident | 70 Ų | 70 | 107.8 Ų | 107.8 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.5 | -73.6 | 18.2 | 0 | 0 | 0 | 110.9 | Q614 S615 K620 M621 D622 | Q614-N618 PolarHBondContact NE2-OD1 3.36Å; Q614-N618 WeakPolarHBondContact O-CB 3.47Å; Q614-N618 PolarHBondContact O-N 3.38Å; Q614-N618 PolarHBondContact O-OD1 2.85Å; Q614-N618 VanDerWaalsContact O-OD1 3.06Å; S615-N618 PolarHBondContact O-N 2.85Å; N618-K620 PolarHBondContact O-N 3.38Å; N618-M621 WeakPolarHBondContact O-CB 3.25Å; N618-M621 PolarHBondContact O-N 2.83Å; N618-M621 VanDerWaalsContact O-N 3.11Å; N618-D622 WeakPolarHBondContact O-CB 3.27Å; N618-D622 PolarHBondContact O-N 3.01Å |
| 619 | K | 81.6 | Confident | 75.3 | Confident | 132 Ų | 132 | 103.4 Ų | 103.4 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -43.7 | 175.4 | -77.3 | 177.8 | 179.3 | -176.7 | 0 | 113.3 | S615 E616 M621 D622 E623 | S615-K619 WeakPolarHBondContact O-CG 3.35Å; S615-K619 PolarHBondContact O-N 2.8Å; S615-K619 VanDerWaalsContact O-N 3.08Å; E616-K619 PolarHBondContact O-N 3.23Å; K619-M621 VanDerWaalsContact C-N 3.3Å; K619-M621 PolarHBondContact O-N 2.91Å; K619-D622 WeakPolarHBondContact O-CB 3.19Å; K619-D622 PolarHBondContact O-N 3.39Å; K619-E623 VanDerWaalsContact O-CG 3.31Å; K619-E623 WeakPolarHBondContact O-CG 3.45Å; K619-E623 PolarHBondContact O-N 2.9Å |
| 620 | K | 77.4 | Confident | 75.6 | Confident | 133 Ų | 133 | 99.1 Ų | 99.1 | 58% | 0.578 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -32.3 | 176.1 | -75.7 | -173.7 | 173.3 | -178.7 | 0 | 113.2 | E616 S617 N618 E623 N624 | E616-K620 PolarHBondContact O-N 3.19Å; S617-K620 PolarHBondContact O-N 2.86Å; N618-K620 PolarHBondContact O-N 3.38Å; K620-E623 PolarHBondContact O-N 2.9Å; K620-N624 WeakPolarHBondContact O-CB 3.34Å; K620-N624 PolarHBondContact O-N 2.87Å; K620-N624 PolarHBondContact O-ND2 2.82Å; K620-N624 PolarHBondContact O-OD1 3.47Å |
| 621 | M | 70.9 | Confident | 75.5 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 173.3 | -164.9 | 175.5 | 75.1 | 0 | 0 | 110.6 | S617 N618 K619 E623 N624 E625 | S617-M621 PolarHBondContact O-N 3.27Å; N618-M621 WeakPolarHBondContact O-CB 3.25Å; N618-M621 PolarHBondContact O-N 2.83Å; N618-M621 VanDerWaalsContact O-N 3.11Å; K619-M621 VanDerWaalsContact C-N 3.3Å; K619-M621 PolarHBondContact O-N 2.91Å; M621-E623 VanDerWaalsContact C-N 3.28Å; M621-E623 PolarHBondContact O-N 3.38Å; M621-N624 PolarHBondContact O-N 3.49Å; M621-E625 PolarHBondContact O-N 3.2Å |
| 622 | D | 76.3 | Confident | 75.7 | Confident | 80 Ų | 80 | 96.8 Ų | 96.8 | 43% | 0.428 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.7 | -37 | 172.5 | -113 | 73.1 | 0 | 0 | 0 | 113.4 | N618 K619 K626 | N618-D622 WeakPolarHBondContact O-CB 3.27Å; N618-D622 PolarHBondContact O-N 3.01Å; K619-D622 WeakPolarHBondContact O-CB 3.19Å; K619-D622 PolarHBondContact O-N 3.39Å; D622-K626 VanDerWaalsContact C-NZ 3.33Å; D622-K626 VanDerWaalsContact O-CD 3.3Å; D622-K626 WeakPolarHBondContact O-CD 3.38Å; D622-K626 WeakPolarHBondContact O-CE 3.33Å; D622-K626 WeakPolarHBondContact O-CG 3.29Å; D622-K626 PolarHBondContact O-N 3.35Å; D622-K626 PolarHBondContact O-NZ 2.92Å; D622-K626 IonicContact OD2-NZ 2.78Å; D622-K626 PolarHBondContact OD2-NZ 2.87Å |
| 623 | E | 81.8 | Confident | 76 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.4 | -47.5 | 177 | -74.9 | 161.3 | 176.5 | 0 | 0 | 110.7 | K619 K620 M621 E625 K626 E627 | K619-E623 VanDerWaalsContact O-CG 3.31Å; K619-E623 WeakPolarHBondContact O-CG 3.45Å; K619-E623 PolarHBondContact O-N 2.9Å; K620-E623 PolarHBondContact O-N 2.9Å; M621-E623 VanDerWaalsContact C-N 3.28Å; M621-E623 PolarHBondContact O-N 3.38Å; E623-E625 PolarHBondContact O-N 3.21Å; E623-K626 WeakPolarHBondContact O-CB 3.28Å; E623-K626 PolarHBondContact O-N 3.13Å; E623-K626 VanDerWaalsContact O-N 3.13Å; E623-E627 PolarHBondContact O-N 2.87Å; E623-E627 VanDerWaalsContact O-N 3.08Å |
| 624 | N | 72.8 | Confident | 76.4 | Confident | 105 Ų | 105 | 101 Ų | 101 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -38 | 177.4 | -69.1 | -12 | 0 | 0 | 0 | 113 | K620 M621 K626 E627 L628 | K620-N624 WeakPolarHBondContact O-CB 3.34Å; K620-N624 PolarHBondContact O-N 2.87Å; K620-N624 PolarHBondContact O-ND2 2.82Å; K620-N624 PolarHBondContact O-OD1 3.47Å; M621-N624 PolarHBondContact O-N 3.49Å; N624-K626 VanDerWaalsContact C-N 3.31Å; N624-K626 PolarHBondContact O-N 3.5Å; N624-E627 PolarHBondContact O-N 3.38Å; N624-L628 WeakPolarHBondContact O-CB 3.42Å; N624-L628 PolarHBondContact O-N 2.89Å |
| 625 | E | 75 | Confident | 76.6 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.9 | -36.3 | 174.8 | -76.2 | -166.5 | 155.5 | 0 | 0 | 112.2 | M621 E623 L628 A629 | M621-E625 PolarHBondContact O-N 3.2Å; E623-E625 PolarHBondContact O-N 3.21Å; E625-L628 PolarHBondContact O-N 3.43Å; E625-A629 WeakPolarHBondContact O-CB 3.39Å; E625-A629 PolarHBondContact O-N 3.41Å |
| 626 | K | 83.9 | Confident | 76.7 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 176.9 | -68.4 | 168.3 | -168.5 | 100.8 | 0 | 111.5 | D622 E623 N624 A630 | D622-K626 VanDerWaalsContact C-NZ 3.33Å; D622-K626 VanDerWaalsContact O-CD 3.3Å; D622-K626 WeakPolarHBondContact O-CD 3.38Å; D622-K626 WeakPolarHBondContact O-CE 3.33Å; D622-K626 WeakPolarHBondContact O-CG 3.29Å; D622-K626 PolarHBondContact O-N 3.35Å; D622-K626 PolarHBondContact O-NZ 2.92Å; D622-K626 IonicContact OD2-NZ 2.78Å; D622-K626 PolarHBondContact OD2-NZ 2.87Å; E623-K626 WeakPolarHBondContact O-CB 3.28Å; E623-K626 PolarHBondContact O-N 3.13Å; E623-K626 VanDerWaalsContact O-N 3.13Å; N624-K626 VanDerWaalsContact C-N 3.31Å; N624-K626 PolarHBondContact O-N 3.5Å; K626-A630 WeakPolarHBondContact O-CB 3.26Å; K626-A630 PolarHBondContact O-N 3.33Å |
| 627 | E | 77.8 | Confident | 77 | Confident | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 173.2 | -67.9 | -164.8 | 166.4 | 0 | 0 | 112.3 | E623 N624 A630 C631 | E623-E627 PolarHBondContact O-N 2.87Å; E623-E627 VanDerWaalsContact O-N 3.08Å; N624-E627 PolarHBondContact O-N 3.38Å; E627-A630 PolarHBondContact O-N 3.24Å; E627-C631 PolarHBondContact O-N 3.07Å |
| 628 | L | 72.1 | Confident | 77.2 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 176.4 | -176.9 | 62.5 | 0 | 0 | 0 | 111.5 | N624 E625 A630 C631 Q632 | N624-L628 WeakPolarHBondContact O-CB 3.42Å; N624-L628 PolarHBondContact O-N 2.89Å; E625-L628 PolarHBondContact O-N 3.43Å; L628-A630 PolarHBondContact O-N 2.9Å; L628-C631 PolarHBondContact O-N 3.16Å; L628-Q632 WeakPolarHBondContact O-CG 3.33Å; L628-Q632 PolarHBondContact O-N 3.14Å |
| 629 | A | 80.2 | Confident | 77.4 | Confident | 52 Ų | 52 | 104 Ų | 104 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E625 C631 Q632 L633 | E625-A629 WeakPolarHBondContact O-CB 3.39Å; E625-A629 PolarHBondContact O-N 3.41Å; A629-C631 VanDerWaalsContact C-N 3.34Å; A629-C631 PolarHBondContact O-N 2.9Å; A629-Q632 PolarHBondContact O-N 2.96Å; A629-L633 WeakPolarHBondContact O-CB 3.34Å; A629-L633 PolarHBondContact O-N 3.33Å |
| 630 | A | 81.6 | Confident | 77.3 | Confident | 47 Ų | 47 | 100.7 Ų | 100.7 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K626 E627 L628 R634 | K626-A630 WeakPolarHBondContact O-CB 3.26Å; K626-A630 PolarHBondContact O-N 3.33Å; E627-A630 PolarHBondContact O-N 3.24Å; L628-A630 PolarHBondContact O-N 2.9Å; A630-R634 PolarHBondContact O-N 3.39Å; A630-R634 VanDerWaalsContact O-N 3.11Å |
| 631 | C | 68.3 | Low | 77.6 | Confident | 58 Ų | 58 | 100.9 Ų | 100.9 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 173.9 | -78 | 0 | 0 | 0 | 0 | 112.5 | E627 L628 A629 L633 R634 I635 | E627-C631 PolarHBondContact O-N 3.07Å; L628-C631 PolarHBondContact O-N 3.16Å; A629-C631 VanDerWaalsContact C-N 3.34Å; A629-C631 PolarHBondContact O-N 2.9Å; C631-L633 PolarHBondContact O-N 3.49Å; C631-R634 PolarHBondContact O-N 2.97Å; C631-I635 WeakPolarHBondContact O-CG1 3.34Å; C631-I635 PolarHBondContact O-N 3.47Å |
| 632 | Q | 74.9 | Confident | 77.8 | Confident | 119 Ų | 119 | 101 Ų | 101 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 174.2 | -71.8 | 174.1 | -3.3 | 0 | 0 | 111.9 | L628 A629 R634 I635 S636 | L628-Q632 WeakPolarHBondContact O-CG 3.33Å; L628-Q632 PolarHBondContact O-N 3.14Å; A629-Q632 PolarHBondContact O-N 2.96Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-R634 PolarHBondContact O-N 3.33Å; Q632-I635 PolarHBondContact O-N 3.01Å; Q632-S636 PolarHBondContact O-N 3.07Å; Q632-S636 VanDerWaalsContact O-N 3.09Å |
| 633 | L | 84.8 | Confident | 78.1 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.5 | -179.3 | 61.5 | 0 | 0 | 0 | 111.9 | A629 C631 S636 Q637 | A629-L633 WeakPolarHBondContact O-CB 3.34Å; A629-L633 PolarHBondContact O-N 3.33Å; C631-L633 PolarHBondContact O-N 3.49Å; L633-S636 PolarHBondContact O-N 3.28Å; L633-Q637 VanDerWaalsContact O-CG 3.32Å; L633-Q637 WeakPolarHBondContact O-CG 3.39Å; L633-Q637 PolarHBondContact O-N 3.33Å |
| 634 | R | 82.6 | Confident | 78.2 | Confident | 133 Ų | 133 | 101.9 Ų | 101.9 | 50% | 0.502 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.3 | -168.7 | -178 | -62.6 | 124.1 | 2.2 | 112 | A630 C631 Q632 Q637 H638 | A630-R634 PolarHBondContact O-N 3.39Å; A630-R634 VanDerWaalsContact O-N 3.11Å; C631-R634 PolarHBondContact O-N 2.97Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-R634 PolarHBondContact O-N 3.33Å; R634-Q637 PolarHBondContact O-N 2.74Å; R634-H638 PolarHBondContact O-CD2 2.98Å; R634-H638 PolarHBondContact O-N 3.39Å; R634-H638 VanDerWaalsContact O-N 3.13Å |
| 635 | I | 71.9 | Confident | 78.3 | Confident | 98 Ų | 98 | 101.7 Ų | 101.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 175.3 | -67.8 | 165.3 | 0 | 0 | 0 | 110.1 | C631 Q632 Q637 H638 E639 | C631-I635 WeakPolarHBondContact O-CG1 3.34Å; C631-I635 PolarHBondContact O-N 3.47Å; Q632-I635 PolarHBondContact O-N 3.01Å; I635-Q637 VanDerWaalsContact C-N 3.29Å; I635-Q637 PolarHBondContact O-N 2.65Å; I635-H638 WeakPolarHBondContact O-CA 3.46Å; I635-H638 WeakPolarHBondContact O-CB 3.23Å; I635-H638 PolarHBondContact O-N 3.23Å; I635-E639 HydrophobicContact CG2-CG 4.41Å; I635-E639 WeakPolarHBondContact O-CG 3.5Å; I635-E639 PolarHBondContact O-N 2.86Å |
| 636 | S | 80.2 | Confident | 78.2 | Confident | 65 Ų | 65 | 99.3 Ų | 99.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -35.9 | 179.6 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | Q632 L633 E639 A640 | Q632-S636 PolarHBondContact O-N 3.07Å; Q632-S636 VanDerWaalsContact O-N 3.09Å; L633-S636 PolarHBondContact O-N 3.28Å; S636-E639 PolarHBondContact O-N 2.84Å; S636-A640 WeakPolarHBondContact O-CB 3.38Å; S636-A640 PolarHBondContact O-N 2.94Å |
| 637 | Q | 81.3 | Confident | 77.9 | Confident | 119 Ų | 119 | 97.6 Ų | 97.6 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -37.6 | 172.6 | -73.7 | 172.9 | -0.9 | 0 | 0 | 112.9 | L633 R634 I635 K641 | L633-Q637 VanDerWaalsContact O-CG 3.32Å; L633-Q637 WeakPolarHBondContact O-CG 3.39Å; L633-Q637 PolarHBondContact O-N 3.33Å; R634-Q637 PolarHBondContact O-N 2.74Å; I635-Q637 VanDerWaalsContact C-N 3.29Å; I635-Q637 PolarHBondContact O-N 2.65Å; Q637-K641 WeakPolarHBondContact O-CB 3.29Å; Q637-K641 PolarHBondContact O-N 3.44Å; Q637-K641 VanDerWaalsContact O-N 3.13Å |
| 638 | H | 76.3 | Confident | 78.1 | Confident | 113 Ų | 113 | 98.6 Ų | 98.6 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 175 | -73 | -62.4 | 0 | 0 | 0 | 112 | R634 I635 K641 I642 | R634-H638 PolarHBondContact O-CD2 2.98Å; R634-H638 PolarHBondContact O-N 3.39Å; R634-H638 VanDerWaalsContact O-N 3.13Å; I635-H638 WeakPolarHBondContact O-CA 3.46Å; I635-H638 WeakPolarHBondContact O-CB 3.23Å; I635-H638 PolarHBondContact O-N 3.23Å; H638-K641 PolarHBondContact O-N 3.49Å; H638-I642 VanDerWaalsContact O-CG1 3.32Å; H638-I642 WeakPolarHBondContact O-CG1 3.47Å; H638-I642 PolarHBondContact O-N 3.41Å |
| 639 | E | 73.4 | Confident | 78.1 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -47.7 | 175.4 | -67.7 | 172.6 | 152.4 | 0 | 0 | 111.8 | I635 S636 K641 I642 K643 | I635-E639 HydrophobicContact CG2-CG 4.41Å; I635-E639 WeakPolarHBondContact O-CG 3.5Å; I635-E639 PolarHBondContact O-N 2.86Å; S636-E639 PolarHBondContact O-N 2.84Å; E639-K641 VanDerWaalsContact C-N 3.32Å; E639-K641 PolarHBondContact O-N 3.37Å; E639-I642 PolarHBondContact O-N 3.22Å; E639-K643 PolarHBondContact O-N 2.91Å |
| 640 | A | 80.3 | Confident | 77.6 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 50% | 0.504 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S636 K643 S644 | S636-A640 WeakPolarHBondContact O-CB 3.38Å; S636-A640 PolarHBondContact O-N 2.94Å; A640-K643 PolarHBondContact O-N 3.44Å; A640-S644 PolarHBondContact O-N 3.42Å |
| 641 | K | 82.9 | Confident | 77.4 | Confident | 137 Ų | 137 | 105.6 Ų | 105.6 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.3 | -40.3 | 177.4 | -172.3 | 172.8 | -177.8 | 177.4 | 0 | 112.4 | Q637 H638 E639 S644 L645 | Q637-K641 WeakPolarHBondContact O-CB 3.29Å; Q637-K641 PolarHBondContact O-N 3.44Å; Q637-K641 VanDerWaalsContact O-N 3.13Å; H638-K641 PolarHBondContact O-N 3.49Å; E639-K641 VanDerWaalsContact C-N 3.32Å; E639-K641 PolarHBondContact O-N 3.37Å; K641-S644 PolarHBondContact O-N 2.89Å; K641-L645 HydrophobicContact CG-CD1 4.21Å; K641-L645 WeakPolarHBondContact O-CG 3.5Å; K641-L645 PolarHBondContact O-N 3.36Å; K641-L645 VanDerWaalsContact O-N 3.09Å |
| 642 | I | 75.6 | Confident | 77.8 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 57% | 0.569 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.8 | -50.2 | 174.1 | -70.8 | 163.8 | 0 | 0 | 0 | 109.4 | H638 E639 S644 L645 T646 | H638-I642 VanDerWaalsContact O-CG1 3.32Å; H638-I642 WeakPolarHBondContact O-CG1 3.47Å; H638-I642 PolarHBondContact O-N 3.41Å; E639-I642 PolarHBondContact O-N 3.22Å; I642-S644 PolarHBondContact O-N 2.81Å; I642-L645 PolarHBondContact O-N 3.45Å; I642-L645 VanDerWaalsContact O-N 3.16Å; I642-T646 PolarHBondContact O-N 2.97Å; I642-T646 PolarHBondContact O-OG1 2.79Å; I642-T646 VanDerWaalsContact O-OG1 3.09Å |
| 643 | K | 81.8 | Confident | 77.3 | Confident | 132 Ų | 132 | 105 Ų | 105 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.5 | -46.8 | 179.7 | -165 | -172.2 | -175.8 | -131.5 | 0 | 112.5 | E639 A640 L645 T646 E647 | E639-K643 PolarHBondContact O-N 2.91Å; A640-K643 PolarHBondContact O-N 3.44Å; K643-L645 VanDerWaalsContact C-N 3.33Å; K643-L645 PolarHBondContact O-N 3.07Å; K643-T646 WeakPolarHBondContact O-CB 3.41Å; K643-T646 PolarHBondContact O-N 3.02Å; K643-E647 WeakPolarHBondContact CE-OE1 3.21Å; K643-E647 IonicContact NZ-OE1 2.63Å; K643-E647 PolarHBondContact NZ-OE1 2.84Å; K643-E647 WeakPolarHBondContact O-CG 3.32Å; K643-E647 PolarHBondContact O-N 3Å |
| 644 | S | 84.3 | Confident | 76.7 | Confident | 73 Ų | 73 | 105.8 Ų | 105.8 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 177.9 | 178 | 0 | 0 | 0 | 0 | 112.8 | A640 K641 I642 Y648 | A640-S644 PolarHBondContact O-N 3.42Å; K641-S644 PolarHBondContact O-N 2.89Å; I642-S644 PolarHBondContact O-N 2.81Å; S644-Y648 WeakPolarHBondContact O-CB 3.44Å; S644-Y648 PolarHBondContact O-N 3.26Å |
| 645 | L | 76.1 | Confident | 76.4 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 174.9 | -71.1 | 167.1 | 0 | 0 | 0 | 112.1 | K641 I642 K643 Y648 L649 | K641-L645 HydrophobicContact CG-CD1 4.21Å; K641-L645 WeakPolarHBondContact O-CG 3.5Å; K641-L645 PolarHBondContact O-N 3.36Å; K641-L645 VanDerWaalsContact O-N 3.09Å; I642-L645 PolarHBondContact O-N 3.45Å; I642-L645 VanDerWaalsContact O-N 3.16Å; K643-L645 VanDerWaalsContact C-N 3.33Å; K643-L645 PolarHBondContact O-N 3.07Å; L645-Y648 PolarHBondContact O-N 2.97Å; L645-L649 WeakPolarHBondContact O-CB 3.3Å; L645-L649 PolarHBondContact O-N 3.06Å |
| 646 | T | 71.2 | Confident | 76.2 | Confident | 76 Ų | 76 | 105.8 Ų | 105.8 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 173.3 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | I642 K643 Y648 L649 Q650 | I642-T646 PolarHBondContact O-N 2.97Å; I642-T646 PolarHBondContact O-OG1 2.79Å; I642-T646 VanDerWaalsContact O-OG1 3.09Å; K643-T646 WeakPolarHBondContact O-CB 3.41Å; K643-T646 PolarHBondContact O-N 3.02Å; T646-Y648 VanDerWaalsContact C-N 3.34Å; T646-Y648 PolarHBondContact O-N 3.45Å; T646-L649 PolarHBondContact O-N 3.11Å; T646-Q650 PolarHBondContact O-N 2.6Å |
| 647 | E | 78.2 | Confident | 75.4 | Confident | 86 Ų | 86 | 110.1 Ų | 110.1 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 177 | -70.6 | 171.1 | -173.6 | 0 | 0 | 111.3 | K643 N651 | K643-E647 WeakPolarHBondContact CE-OE1 3.21Å; K643-E647 IonicContact NZ-OE1 2.63Å; K643-E647 PolarHBondContact NZ-OE1 2.84Å; K643-E647 WeakPolarHBondContact O-CG 3.32Å; K643-E647 PolarHBondContact O-N 3Å; E647-N651 PolarHBondContact O-N 3.44Å; E647-N651 PolarHBondContact O-ND2 3Å |
| 648 | Y | 82.4 | Confident | 75 | Confident | 160 Ų | 160 | 109.6 Ų | 109.6 | 63% | 0.627 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 173 | -179.8 | -99.1 | 0 | 0 | 0 | 112.5 | S644 L645 T646 Q650 N651 V652 | S644-Y648 WeakPolarHBondContact O-CB 3.44Å; S644-Y648 PolarHBondContact O-N 3.26Å; L645-Y648 PolarHBondContact O-N 2.97Å; T646-Y648 VanDerWaalsContact C-N 3.34Å; T646-Y648 PolarHBondContact O-N 3.45Å; Y648-Q650 PolarHBondContact O-N 3.46Å; Y648-N651 PolarHBondContact O-N 3.34Å; Y648-V652 HydrophobicContact CD1-CG2 4.2Å; Y648-V652 HydrophobicContact CE1-CG2 3.76Å; Y648-V652 HydrophobicContact CE2-CG2 4.4Å; Y648-V652 WeakPolarHBondContact O-CG2 3.43Å; Y648-V652 PolarHBondContact O-N 3.34Å |
| 649 | L | 71.1 | Confident | 74.9 | Confident | 118 Ų | 118 | 109.3 Ų | 109.3 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -39.4 | -178.6 | -163.2 | 155 | 0 | 0 | 0 | 111.6 | L645 T646 V652 E653 | L645-L649 WeakPolarHBondContact O-CB 3.3Å; L645-L649 PolarHBondContact O-N 3.06Å; T646-L649 PolarHBondContact O-N 3.11Å; L649-V652 PolarHBondContact O-N 2.96Å; L649-E653 PolarHBondContact O-N 3.49Å |
| 650 | Q | 70.4 | Confident | 74.4 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 172.1 | -75 | -175.3 | -24.2 | 0 | 0 | 112.8 | T646 Y648 V652 E653 Q654 | T646-Q650 PolarHBondContact O-N 2.6Å; Y648-Q650 PolarHBondContact O-N 3.46Å; Q650-V652 VanDerWaalsContact C-N 3.34Å; Q650-V652 PolarHBondContact O-N 3.41Å; Q650-E653 PolarHBondContact O-N 3.47Å; Q650-Q654 WeakPolarHBondContact O-CB 3.45Å; Q650-Q654 PolarHBondContact O-N 2.98Å |
| 651 | N | 78.2 | Confident | 73.7 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -37.5 | 176.2 | -83.4 | -78.6 | 0 | 0 | 0 | 112.4 | E647 Y648 K655 | E647-N651 PolarHBondContact O-N 3.44Å; E647-N651 PolarHBondContact O-ND2 3Å; Y648-N651 PolarHBondContact O-N 3.34Å; N651-K655 VanDerWaalsContact O-CB 3.3Å; N651-K655 WeakPolarHBondContact O-CB 3.49Å; N651-K655 PolarHBondContact O-N 3.49Å |
| 652 | V | 75.1 | Confident | 73.4 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.418 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | Y648 L649 Q650 K655 K656 | Y648-V652 HydrophobicContact CD1-CG2 4.2Å; Y648-V652 HydrophobicContact CE1-CG2 3.76Å; Y648-V652 HydrophobicContact CE2-CG2 4.4Å; Y648-V652 WeakPolarHBondContact O-CG2 3.43Å; Y648-V652 PolarHBondContact O-N 3.34Å; L649-V652 PolarHBondContact O-N 2.96Å; Q650-V652 VanDerWaalsContact C-N 3.34Å; Q650-V652 PolarHBondContact O-N 3.41Å; V652-K655 PolarHBondContact O-N 3.13Å; V652-K656 WeakPolarHBondContact O-CB 3.17Å; V652-K656 PolarHBondContact O-N 3.43Å |
| 653 | E | 65.4 | Low | 73.2 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -38.5 | -179.4 | -163.9 | 63.6 | -159.3 | 0 | 0 | 112.1 | L649 Q650 K655 K656 R657 | L649-E653 PolarHBondContact O-N 3.49Å; Q650-E653 PolarHBondContact O-N 3.47Å; E653-K655 PolarHBondContact O-N 3.04Å; E653-K656 PolarHBondContact O-N 3.4Å; E653-K656 IonicContact OE1-NZ 2.63Å; E653-K656 PolarHBondContact OE1-NZ 2.91Å; E653-K656 IonicContact OE2-NZ 3.74Å; E653-R657 PolarHBondContact O-N 2.83Å |
| 654 | Q | 71.3 | Confident | 72.2 | Confident | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 173.7 | -173.3 | 175 | 6.6 | 0 | 0 | 112 | Q650 R657 Q658 | Q650-Q654 WeakPolarHBondContact O-CB 3.45Å; Q650-Q654 PolarHBondContact O-N 2.98Å; Q654-R657 PolarHBondContact O-N 3.39Å; Q654-Q658 PolarHBondContact O-N 3.28Å; Q654-Q658 VanDerWaalsContact O-N 3.1Å |
| 655 | K | 76.6 | Confident | 71.4 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.9 | -36.4 | 178.3 | -170 | 170.4 | -174.8 | 174.7 | 0 | 112.6 | N651 V652 E653 Q658 L659 | N651-K655 VanDerWaalsContact O-CB 3.3Å; N651-K655 WeakPolarHBondContact O-CB 3.49Å; N651-K655 PolarHBondContact O-N 3.49Å; V652-K655 PolarHBondContact O-N 3.13Å; E653-K655 PolarHBondContact O-N 3.04Å; K655-Q658 PolarHBondContact O-N 3.06Å; K655-L659 WeakPolarHBondContact O-CG 3.35Å; K655-L659 PolarHBondContact O-N 2.96Å; K655-L659 VanDerWaalsContact O-N 3.12Å |
| 656 | K | 68.1 | Low | 71.3 | Confident | 89 Ų | 89 | 106 Ų | 106 | 39% | 0.387 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.3 | -51.1 | 169.6 | 169 | -169.8 | 154.5 | -158.5 | 0 | 110.4 | V652 E653 Q658 L659 E660 | V652-K656 WeakPolarHBondContact O-CB 3.17Å; V652-K656 PolarHBondContact O-N 3.43Å; E653-K656 PolarHBondContact O-N 3.4Å; E653-K656 IonicContact OE1-NZ 2.63Å; E653-K656 PolarHBondContact OE1-NZ 2.91Å; E653-K656 IonicContact OE2-NZ 3.74Å; K656-Q658 VanDerWaalsContact C-N 3.33Å; K656-Q658 PolarHBondContact O-N 2.84Å; K656-L659 WeakPolarHBondContact O-CA 3.29Å; K656-L659 WeakPolarHBondContact O-CB 3.49Å; K656-L659 PolarHBondContact O-N 2.79Å; K656-E660 WeakPolarHBondContact CE-OE1 3.37Å; K656-E660 WeakPolarHBondContact O-CG 3.29Å; K656-E660 PolarHBondContact O-N 2.86Å |
| 657 | R | 63.8 | Low | 71 | Confident | 156 Ų | 156 | 106.5 Ų | 106.5 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.5 | -41.1 | 178.6 | -177.8 | 175.7 | 174.6 | 151.7 | 6.2 | 113.2 | E653 Q654 L659 E660 E661 | E653-R657 PolarHBondContact O-N 2.83Å; Q654-R657 PolarHBondContact O-N 3.39Å; R657-L659 VanDerWaalsContact C-N 3.29Å; R657-L659 PolarHBondContact O-N 2.97Å; R657-E660 WeakPolarHBondContact CA-OE2 3.42Å; R657-E660 PolarHBondContact O-N 3.05Å; R657-E661 HydrophobicContact CG-CG 4.5Å; R657-E661 WeakPolarHBondContact CG-OE1 3.31Å; R657-E661 IonicContact CZ-OE1 3.81Å; R657-E661 IonicContact NE-OE1 3.52Å; R657-E661 PolarHBondContact NE-OE1 2.67Å; R657-E661 IonicContact NH2-OE1 2.85Å; R657-E661 WeakPolarHBondContact O-CB 3.47Å; R657-E661 WeakPolarHBondContact O-CG 3.42Å; R657-E661 PolarHBondContact O-N 2.85Å |
| 658 | Q | 73.4 | Confident | 70.3 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -32.4 | 173.2 | -75.2 | -176.1 | -32.9 | 0 | 0 | 112.9 | Q654 K655 K656 N662 | Q654-Q658 PolarHBondContact O-N 3.28Å; Q654-Q658 VanDerWaalsContact O-N 3.1Å; K655-Q658 PolarHBondContact O-N 3.06Å; K656-Q658 VanDerWaalsContact C-N 3.33Å; K656-Q658 PolarHBondContact O-N 2.84Å; Q658-N662 WeakPolarHBondContact O-CB 3.48Å; Q658-N662 VanDerWaalsContact O-CG 3.3Å; Q658-N662 PolarHBondContact O-N 2.99Å; Q658-N662 VanDerWaalsContact O-N 3.11Å; Q658-N662 PolarHBondContact O-ND2 3.21Å |
| 659 | L | 73.9 | Confident | 69.7 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.9 | -38.2 | 175.1 | -69.5 | 166.6 | 0 | 0 | 0 | 111.6 | K655 K656 R657 N662 V663 | K655-L659 WeakPolarHBondContact O-CG 3.35Å; K655-L659 PolarHBondContact O-N 2.96Å; K655-L659 VanDerWaalsContact O-N 3.12Å; K656-L659 WeakPolarHBondContact O-CA 3.29Å; K656-L659 WeakPolarHBondContact O-CB 3.49Å; K656-L659 PolarHBondContact O-N 2.79Å; R657-L659 VanDerWaalsContact C-N 3.29Å; R657-L659 PolarHBondContact O-N 2.97Å; L659-N662 PolarHBondContact O-N 3.49Å; L659-V663 WeakPolarHBondContact O-CG2 3.43Å; L659-V663 PolarHBondContact O-N 2.91Å |
| 660 | E | 61.9 | Low | 69.5 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -50.9 | 172.8 | -67.4 | 165.5 | 163.9 | 0 | 0 | 110.8 | K656 R657 N662 V663 D664 | K656-E660 WeakPolarHBondContact CE-OE1 3.37Å; K656-E660 WeakPolarHBondContact O-CG 3.29Å; K656-E660 PolarHBondContact O-N 2.86Å; R657-E660 WeakPolarHBondContact CA-OE2 3.42Å; R657-E660 PolarHBondContact O-N 3.05Å; E660-N662 VanDerWaalsContact C-N 3.3Å; E660-N662 PolarHBondContact O-N 3.38Å; E660-V663 PolarHBondContact O-N 3.11Å; E660-V663 VanDerWaalsContact O-N 3.1Å; E660-D664 PolarHBondContact O-N 3.3Å |
| 661 | E | 66.4 | Low | 69.1 | Low | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -34.6 | 177.4 | -70.6 | 168.6 | -176.2 | 0 | 0 | 112.5 | R657 S665 | R657-E661 HydrophobicContact CG-CG 4.5Å; R657-E661 WeakPolarHBondContact CG-OE1 3.31Å; R657-E661 IonicContact CZ-OE1 3.81Å; R657-E661 IonicContact NE-OE1 3.52Å; R657-E661 PolarHBondContact NE-OE1 2.67Å; R657-E661 IonicContact NH2-OE1 2.85Å; R657-E661 WeakPolarHBondContact O-CB 3.47Å; R657-E661 WeakPolarHBondContact O-CG 3.42Å; R657-E661 PolarHBondContact O-N 2.85Å; E661-S665 PolarHBondContact O-N 2.74Å |
| 662 | N | 76.2 | Confident | 68.2 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.8 | -36.9 | 173.6 | -79.8 | -53.4 | 0 | 0 | 0 | 113.3 | Q658 L659 E660 S665 L666 | Q658-N662 WeakPolarHBondContact O-CB 3.48Å; Q658-N662 VanDerWaalsContact O-CG 3.3Å; Q658-N662 PolarHBondContact O-N 2.99Å; Q658-N662 VanDerWaalsContact O-N 3.11Å; Q658-N662 PolarHBondContact O-ND2 3.21Å; L659-N662 PolarHBondContact O-N 3.49Å; E660-N662 VanDerWaalsContact C-N 3.3Å; E660-N662 PolarHBondContact O-N 3.38Å; N662-S665 PolarHBondContact O-N 3.04Å; N662-L666 WeakPolarHBondContact O-CB 3.36Å; N662-L666 PolarHBondContact O-N 3.21Å |
| 663 | V | 70.8 | Confident | 67.8 | Low | 81 Ų | 81 | 105.6 Ų | 105.6 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.8 | 165 | 0 | 0 | 0 | 0 | 110.9 | L659 E660 L666 N667 | L659-V663 WeakPolarHBondContact O-CG2 3.43Å; L659-V663 PolarHBondContact O-N 2.91Å; E660-V663 PolarHBondContact O-N 3.11Å; E660-V663 VanDerWaalsContact O-N 3.1Å; V663-L666 PolarHBondContact O-N 2.92Å; V663-N667 WeakPolarHBondContact O-CB 3.28Å; V663-N667 PolarHBondContact O-N 3.44Å; V663-N667 PolarHBondContact O-ND2 2.94Å |
| 664 | D | 61.3 | Low | 67.3 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 175.3 | -77.2 | -18.3 | 0 | 0 | 0 | 111.8 | E660 L666 N667 E668 | E660-D664 PolarHBondContact O-N 3.3Å; D664-L666 PolarHBondContact O-N 3.1Å; D664-N667 PolarHBondContact O-N 3.39Å; D664-E668 PolarHBondContact O-N 3.3Å |
| 665 | S | 67.2 | Low | 66.3 | Low | 72 Ų | 72 | 100.1 Ų | 100.1 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.1 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | E661 N662 E668 E669 | E661-S665 PolarHBondContact O-N 2.74Å; N662-S665 PolarHBondContact O-N 3.04Å; S665-E668 PolarHBondContact O-N 2.97Å; S665-E669 PolarHBondContact O-N 3.1Å |
| 666 | L | 74.9 | Confident | 65.3 | Low | 108 Ų | 108 | 99.1 Ų | 99.1 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -39.6 | 176.4 | -84 | 162.6 | 0 | 0 | 0 | 112 | N662 V663 D664 E669 L670 | N662-L666 WeakPolarHBondContact O-CB 3.36Å; N662-L666 PolarHBondContact O-N 3.21Å; V663-L666 PolarHBondContact O-N 2.92Å; D664-L666 PolarHBondContact O-N 3.1Å; L666-E669 PolarHBondContact O-N 2.95Å; L666-L670 WeakPolarHBondContact O-CB 3.26Å; L666-L670 PolarHBondContact O-N 2.68Å |
| 667 | N | 65.3 | Low | 64.8 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.6 | -79.9 | -39 | 0 | 0 | 0 | 111.9 | V663 D664 E669 L670 V671 | V663-N667 WeakPolarHBondContact O-CB 3.28Å; V663-N667 PolarHBondContact O-N 3.44Å; V663-N667 PolarHBondContact O-ND2 2.94Å; D664-N667 PolarHBondContact O-N 3.39Å; N667-E669 VanDerWaalsContact C-N 3.34Å; N667-E669 PolarHBondContact O-N 3.41Å; N667-L670 PolarHBondContact O-N 3.35Å; N667-V671 WeakPolarHBondContact O-CG2 3.4Å; N667-V671 PolarHBondContact O-N 3.45Å |
| 668 | E | 62.2 | Low | 64.2 | Low | 113 Ų | 113 | 101.6 Ų | 101.6 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 177.6 | -152.5 | -161 | 140.9 | 0 | 0 | 111.9 | D664 S665 K672 | D664-E668 PolarHBondContact O-N 3.3Å; S665-E668 PolarHBondContact O-N 2.97Å; E668-K672 WeakPolarHBondContact O-CD 3.38Å; E668-K672 VanDerWaalsContact O-CG 3.29Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 3.41Å; E668-K672 VanDerWaalsContact O-N 3.07Å; E668-K672 WeakPolarHBondContact OE1-CE 3.46Å; E668-K672 IonicContact OE1-NZ 3.39Å; E668-K672 PolarHBondContact OE1-NZ 2.99Å; E668-K672 IonicContact OE2-NZ 2.69Å |
| 669 | E | 69.8 | Low | 63 | Low | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 175.2 | -166.5 | 165.9 | -120.9 | 0 | 0 | 112.3 | S665 L666 N667 V671 K672 L673 | S665-E669 PolarHBondContact O-N 3.1Å; L666-E669 PolarHBondContact O-N 2.95Å; N667-E669 VanDerWaalsContact C-N 3.34Å; N667-E669 PolarHBondContact O-N 3.41Å; E669-V671 VanDerWaalsContact C-N 3.33Å; E669-V671 PolarHBondContact O-N 3.01Å; E669-K672 WeakPolarHBondContact O-CB 3.46Å; E669-K672 PolarHBondContact O-N 2.95Å; E669-K672 VanDerWaalsContact O-N 3.16Å; E669-L673 HydrophobicContact CG-CD1 4.41Å; E669-L673 WeakPolarHBondContact O-CG 3.33Å; E669-L673 PolarHBondContact O-N 2.69Å |
| 670 | L | 66.6 | Low | 61.8 | Low | 115 Ų | 115 | 101.3 Ų | 101.3 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 175.3 | -149.6 | 169 | 0 | 0 | 0 | 111.4 | L666 N667 S674 | L666-L670 WeakPolarHBondContact O-CB 3.26Å; L666-L670 PolarHBondContact O-N 2.68Å; N667-L670 PolarHBondContact O-N 3.35Å; L670-S674 VanDerWaalsContact O-CB 3.29Å; L670-S674 WeakPolarHBondContact O-CB 3.47Å; L670-S674 PolarHBondContact O-N 3.29Å |
| 671 | V | 61.9 | Low | 61.2 | Low | 102 Ų | 102 | 100.6 Ų | 100.6 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 172.4 | 169 | 0 | 0 | 0 | 0 | 111.8 | N667 E669 S674 A675 | N667-V671 WeakPolarHBondContact O-CG2 3.4Å; N667-V671 PolarHBondContact O-N 3.45Å; E669-V671 VanDerWaalsContact C-N 3.33Å; E669-V671 PolarHBondContact O-N 3.01Å; V671-S674 PolarHBondContact O-N 3.49Å; V671-A675 PolarHBondContact O-N 3.44Å |
| 672 | K | 59.9 | Low | 60.1 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 47% | 0.47 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -44.2 | 175.8 | -71.5 | 161.5 | -171.4 | 164 | 0 | 111.9 | E668 E669 A675 Q676 | E668-K672 WeakPolarHBondContact O-CD 3.38Å; E668-K672 VanDerWaalsContact O-CG 3.29Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 3.41Å; E668-K672 VanDerWaalsContact O-N 3.07Å; E668-K672 WeakPolarHBondContact OE1-CE 3.46Å; E668-K672 IonicContact OE1-NZ 3.39Å; E668-K672 PolarHBondContact OE1-NZ 2.99Å; E668-K672 IonicContact OE2-NZ 2.69Å; E669-K672 WeakPolarHBondContact O-CB 3.46Å; E669-K672 PolarHBondContact O-N 2.95Å; E669-K672 VanDerWaalsContact O-N 3.16Å; K672-A675 WeakPolarHBondContact O-CB 3.31Å; K672-A675 PolarHBondContact O-N 2.89Å; K672-Q676 PolarHBondContact O-N 3.49Å |
| 673 | L | 67.9 | Low | 58.6 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -41.4 | 175.6 | -69.9 | 169.1 | 0 | 0 | 0 | 111.7 | E669 A675 Q676 E677 | E669-L673 HydrophobicContact CG-CD1 4.41Å; E669-L673 WeakPolarHBondContact O-CG 3.33Å; E669-L673 PolarHBondContact O-N 2.69Å; L673-A675 VanDerWaalsContact C-N 3.26Å; L673-A675 PolarHBondContact O-N 3.42Å; L673-Q676 PolarHBondContact O-N 2.96Å; L673-Q676 VanDerWaalsContact O-N 3.14Å; L673-E677 PolarHBondContact O-N 2.88Å |
| 674 | S | 53.5 | Low | 57.4 | Low | 47 Ų | 47 | 110 Ų | 110 | 33% | 0.329 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -32.4 | 174.2 | -173.4 | 0 | 0 | 0 | 0 | 113.1 | L670 V671 K678 | L670-S674 VanDerWaalsContact O-CB 3.29Å; L670-S674 WeakPolarHBondContact O-CB 3.47Å; L670-S674 PolarHBondContact O-N 3.29Å; V671-S674 PolarHBondContact O-N 3.49Å; S674-K678 WeakPolarHBondContact O-CG 3.29Å |
| 675 | A | 51.4 | Low | 56.7 | Low | 54 Ų | 54 | 113.6 Ų | 113.6 | 45% | 0.446 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.9 | -42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V671 K672 L673 K678 V679 | V671-A675 PolarHBondContact O-N 3.44Å; K672-A675 WeakPolarHBondContact O-CB 3.31Å; K672-A675 PolarHBondContact O-N 2.89Å; L673-A675 VanDerWaalsContact C-N 3.26Å; L673-A675 PolarHBondContact O-N 3.42Å; A675-K678 PolarHBondContact O-N 3.01Å; A675-V679 WeakPolarHBondContact O-CG2 3.43Å; A675-V679 PolarHBondContact O-N 3.26Å; A675-V679 VanDerWaalsContact O-N 3.11Å |
| 676 | Q | 54 | Low | 55.6 | Low | 120 Ų | 120 | 117.2 Ų | 117.2 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.8 | -40.2 | 177.9 | -75.3 | -179.1 | -26.2 | 0 | 0 | 113.2 | K672 L673 K678 V679 H680 | K672-Q676 PolarHBondContact O-N 3.49Å; L673-Q676 PolarHBondContact O-N 2.96Å; L673-Q676 VanDerWaalsContact O-N 3.14Å; Q676-K678 VanDerWaalsContact C-N 3.28Å; Q676-K678 PolarHBondContact O-N 3.4Å; Q676-V679 PolarHBondContact O-N 2.87Å; Q676-H680 PolarHBondContact O-N 2.88Å |
| 677 | E | 58.8 | Low | 54.2 | Low | 153 Ų | 153 | 121 Ų | 121 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.6 | -40.5 | 172.6 | -80.9 | -164.9 | 129.8 | 0 | 0 | 111.7 | L673 V679 A681 | L673-E677 PolarHBondContact O-N 2.88Å; E677-V679 PolarHBondContact O-N 2.87Å; E677-A681 WeakPolarHBondContact O-CB 3.43Å; E677-A681 PolarHBondContact O-N 3Å |
| 678 | K | 50.3 | Low | 53.3 | Low | 145 Ų | 145 | 123.3 Ų | 123.3 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.4 | -31.8 | 177.7 | -74.9 | 171 | -178.3 | 162.4 | 0 | 113.3 | S674 A675 Q676 | S674-K678 WeakPolarHBondContact O-CG 3.29Å; A675-K678 PolarHBondContact O-N 3.01Å; Q676-K678 VanDerWaalsContact C-N 3.28Å; Q676-K678 PolarHBondContact O-N 3.4Å |
| 679 | V | 49.4 | Very low | 52.5 | Low | 84 Ų | 84 | 127 Ų | 127 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.4 | -52.6 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | A675 Q676 E677 A681 M682 E683 | A675-V679 WeakPolarHBondContact O-CG2 3.43Å; A675-V679 PolarHBondContact O-N 3.26Å; A675-V679 VanDerWaalsContact O-N 3.11Å; Q676-V679 PolarHBondContact O-N 2.87Å; E677-V679 PolarHBondContact O-N 2.87Å; V679-A681 VanDerWaalsContact C-N 3.25Å; V679-A681 PolarHBondContact O-N 3.13Å; V679-M682 WeakPolarHBondContact O-CB 3.43Å; V679-M682 PolarHBondContact O-N 3.44Å; V679-E683 PolarHBondContact O-N 2.86Å |
| 680 | H | 48.9 | Very low | 51.7 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 57% | 0.574 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.5 | -25.2 | 179.3 | -82.1 | -29.9 | 0 | 0 | 0 | 113.7 | Q676 M682 E683 | Q676-H680 PolarHBondContact O-N 2.88Å; H680-M682 PolarHBondContact O-N 3.16Å; H680-E683 IonicContact CE1-OE2 3.81Å; H680-E683 PolarHBondContact CE1-OE2 2.97Å; H680-E683 IonicContact CG-OE2 2.67Å; H680-E683 IonicContact ND1-OE2 3.76Å; H680-E683 PolarHBondContact ND1-OE2 3.04Å; H680-E683 PolarHBondContact O-N 2.76Å; H680-E683 VanDerWaalsContact O-N 3.13Å |
| 681 | A | 48.3 | Very low | 51 | Low | 79 Ų | 79 | 125 Ų | 125 | 65% | 0.653 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -21.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E677 V679 | E677-A681 WeakPolarHBondContact O-CB 3.43Å; E677-A681 PolarHBondContact O-N 3Å; V679-A681 VanDerWaalsContact C-N 3.25Å; V679-A681 PolarHBondContact O-N 3.13Å |
| 682 | M | 44.4 | Very low | 50.5 | Low | 170 Ų | 170 | 125.4 Ų | 125.4 | 84% | 0.837 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -10.2 | 172.8 | -64.8 | -175.9 | 65 | 0 | 0 | 113.4 | V679 H680 | V679-M682 WeakPolarHBondContact O-CB 3.43Å; V679-M682 PolarHBondContact O-N 3.44Å; H680-M682 PolarHBondContact O-N 3.16Å |
| 683 | E | 44 | Very low | 50.1 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 58% | 0.584 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -104.7 | 3.8 | -175.1 | -65.6 | -179.7 | 141.5 | 0 | 0 | 113.7 | V679 H680 | V679-E683 PolarHBondContact O-N 2.86Å; H680-E683 IonicContact CE1-OE2 3.81Å; H680-E683 PolarHBondContact CE1-OE2 2.97Å; H680-E683 IonicContact CG-OE2 2.67Å; H680-E683 IonicContact ND1-OE2 3.76Å; H680-E683 PolarHBondContact ND1-OE2 3.04Å; H680-E683 PolarHBondContact O-N 2.76Å; H680-E683 VanDerWaalsContact O-N 3.13Å |
| 684 | K | 46 | Very low | 49.4 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | trans | -126.9 | 32.3 | -174.4 | -94.3 | -177.1 | 175.2 | 176.2 | 0 | 116.4 | N686 | K684-N686 VanDerWaalsContact C-N 3.32Å; K684-N686 PolarHBondContact O-N 3.2Å | ||
| 685 | E | 45.9 | Very low | 49.5 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -83.8 | 78.5 | 147.4 | -75.6 | -161.1 | 131.1 | 0 | 0 | 110.1 | ||||
| 686 | N | 44.6 | Very low | 49.6 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -164.2 | 148.7 | 151.7 | -108.3 | -37.6 | 0 | 0 | 0 | 113.9 | K684 | K684-N686 VanDerWaalsContact C-N 3.32Å; K684-N686 PolarHBondContact O-N 3.2Å | ||
| 687 | E | 45 | Very low | 49.6 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | trans | 56.8 | 107.8 | 165.7 | -60.1 | -171.1 | 165 | 0 | 0 | 119.2 | ||||
| 688 | I | 46.3 | Very low | 49.4 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | trans | -115.9 | 122.4 | 166.8 | -57.1 | 167.9 | 0 | 0 | 0 | 107.6 | ||||
| 689 | Q | 45.5 | Very low | 49.6 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -171.2 | 22.8 | 142.8 | -106.6 | 163.9 | 30.4 | 0 | 0 | 119.1 | ||
| 690 | T | 53.8 | Low | 50.1 | Low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -134.1 | 9.9 | 160.5 | 31.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 691 | A | 50.9 | Low | 50.3 | Low | 49 Ų | 49 | 127.6 Ų | 127.6 | 41% | 0.405 | 66% | 0.656 | S | S | . | * | trans | -79.5 | -35.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E693 V694 K695 | A691-E693 PolarHBondContact O-N 3.44Å; A691-V694 PolarHBondContact O-N 2.94Å; A691-K695 WeakPolarHBondContact O-CB 3.41Å; A691-K695 PolarHBondContact O-N 3.3Å | ||
| 692 | N | 51.5 | Low | 50.6 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 60% | 0.599 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.1 | -40.5 | -156.8 | -76.4 | -4.6 | 0 | 0 | 0 | 115.7 | K695 E696 | N692-K695 PolarHBondContact O-N 3.16Å; N692-E696 PolarHBondContact O-N 3.43Å |
| 693 | E | 51.1 | Low | 51.2 | Low | 172 Ų | 172 | 125.2 Ų | 125.2 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.4 | -41.9 | -178.3 | -63.1 | -178.7 | 158.8 | 0 | 0 | 112 | A691 K695 E696 A697 | A691-E693 PolarHBondContact O-N 3.44Å; E693-K695 VanDerWaalsContact C-N 3.33Å; E693-E696 PolarHBondContact O-N 3.39Å; E693-A697 PolarHBondContact O-N 3.04Å |
| 694 | V | 54.4 | Low | 51.9 | Low | 99 Ų | 99 | 123 Ų | 123 | 60% | 0.6 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | A691 A697 V698 | A691-V694 PolarHBondContact O-N 2.94Å; V694-A697 PolarHBondContact O-N 3.18Å; V694-V698 HydrophobicContact CG1-CG2 4.16Å; V694-V698 VanDerWaalsContact O-CB 3.28Å; V694-V698 WeakPolarHBondContact O-CB 3.44Å; V694-V698 VanDerWaalsContact O-CG2 3.24Å; V694-V698 WeakPolarHBondContact O-CG2 3.42Å; V694-V698 PolarHBondContact O-N 3.06Å |
| 695 | K | 54.4 | Low | 52.4 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.3 | -46 | 176.7 | 176.8 | -178.5 | 172.6 | -176.5 | 0 | 111.3 | A691 N692 E693 A697 V698 E699 | A691-K695 WeakPolarHBondContact O-CB 3.41Å; A691-K695 PolarHBondContact O-N 3.3Å; N692-K695 PolarHBondContact O-N 3.16Å; E693-K695 VanDerWaalsContact C-N 3.33Å; K695-A697 PolarHBondContact O-N 3.48Å; K695-V698 PolarHBondContact O-N 2.98Å; K695-E699 VanDerWaalsContact CE-CD 3.43Å; K695-E699 WeakPolarHBondContact CE-OE1 3.5Å; K695-E699 HydrophobicContact CG-CG 4.11Å; K695-E699 IonicContact NZ-OE1 2.74Å; K695-E699 WeakPolarHBondContact O-CB 3.27Å; K695-E699 VanDerWaalsContact O-CG 3.24Å; K695-E699 WeakPolarHBondContact O-CG 3.43Å; K695-E699 PolarHBondContact O-N 3.05Å |
| 696 | E | 53.5 | Low | 52.9 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -37.4 | -179 | -158.6 | -166.6 | 142.2 | 0 | 0 | 112.2 | N692 E693 K700 | N692-E696 PolarHBondContact O-N 3.43Å; E693-E696 PolarHBondContact O-N 3.39Å; E696-K700 WeakPolarHBondContact O-CB 3.48Å; E696-K700 WeakPolarHBondContact O-CG 3.41Å; E696-K700 PolarHBondContact O-N 3.05Å; E696-K700 WeakPolarHBondContact OE1-CE 3.38Å; E696-K700 IonicContact OE1-NZ 3.04Å; E696-K700 PolarHBondContact OE1-NZ 3.49Å |
| 697 | A | 55 | Low | 53.5 | Low | 61 Ų | 61 | 116 Ų | 116 | 50% | 0.504 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | E693 V694 K695 K700 Q701 | E693-A697 PolarHBondContact O-N 3.04Å; V694-A697 PolarHBondContact O-N 3.18Å; K695-A697 PolarHBondContact O-N 3.48Å; A697-K700 PolarHBondContact O-N 2.87Å; A697-Q701 PolarHBondContact O-N 3.45Å |
| 698 | V | 55.1 | Low | 54.3 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.3 | -38.2 | 176.8 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | V694 K695 Q701 I702 | V694-V698 HydrophobicContact CG1-CG2 4.16Å; V694-V698 VanDerWaalsContact O-CB 3.28Å; V694-V698 WeakPolarHBondContact O-CB 3.44Å; V694-V698 VanDerWaalsContact O-CG2 3.24Å; V694-V698 WeakPolarHBondContact O-CG2 3.42Å; V694-V698 PolarHBondContact O-N 3.06Å; K695-V698 PolarHBondContact O-N 2.98Å; V698-Q701 PolarHBondContact O-N 3.12Å; V698-I702 HydrophobicContact CG1-CD1 3.54Å; V698-I702 HydrophobicContact CG1-CG1 4.15Å; V698-I702 VanDerWaalsContact O-CB 3.24Å; V698-I702 WeakPolarHBondContact O-CB 3.41Å; V698-I702 VanDerWaalsContact O-CG1 3.23Å; V698-I702 WeakPolarHBondContact O-CG1 3.47Å; V698-I702 PolarHBondContact O-N 3.18Å |
| 699 | E | 53.4 | Low | 55.1 | Low | 102 Ų | 102 | 107.5 Ų | 107.5 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -40.6 | 175.2 | -79.4 | 177.8 | 160 | 0 | 0 | 111.3 | K695 I702 H703 | K695-E699 VanDerWaalsContact CE-CD 3.43Å; K695-E699 WeakPolarHBondContact CE-OE1 3.5Å; K695-E699 HydrophobicContact CG-CG 4.11Å; K695-E699 IonicContact NZ-OE1 2.74Å; K695-E699 WeakPolarHBondContact O-CB 3.27Å; K695-E699 VanDerWaalsContact O-CG 3.24Å; K695-E699 WeakPolarHBondContact O-CG 3.43Å; K695-E699 PolarHBondContact O-N 3.05Å; E699-I702 PolarHBondContact O-N 3.47Å; E699-H703 WeakPolarHBondContact O-CB 3.43Å; E699-H703 PolarHBondContact O-N 3.31Å |
| 700 | K | 59.2 | Low | 55.7 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 172.4 | -79.9 | 165.5 | 173.1 | 163.3 | 0 | 112.3 | E696 A697 H703 S704 | E696-K700 WeakPolarHBondContact O-CB 3.48Å; E696-K700 WeakPolarHBondContact O-CG 3.41Å; E696-K700 PolarHBondContact O-N 3.05Å; E696-K700 WeakPolarHBondContact OE1-CE 3.38Å; E696-K700 IonicContact OE1-NZ 3.04Å; E696-K700 PolarHBondContact OE1-NZ 3.49Å; A697-K700 PolarHBondContact O-N 2.87Å; K700-H703 PolarHBondContact O-N 3.01Å; K700-S704 PolarHBondContact O-N 3.25Å |
| 701 | Q | 53.5 | Low | 56.4 | Low | 135 Ų | 135 | 104.6 Ų | 104.6 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -42.6 | 177.4 | -168.2 | 173.4 | 4.1 | 0 | 0 | 112 | A697 V698 S704 H705 | A697-Q701 PolarHBondContact O-N 3.45Å; V698-Q701 PolarHBondContact O-N 3.12Å; Q701-S704 PolarHBondContact O-N 2.85Å; Q701-H705 PolarHBondContact O-N 2.79Å |
| 702 | I | 55.3 | Low | 57.2 | Low | 76 Ų | 76 | 107.7 Ų | 107.7 | 39% | 0.39 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 173.7 | -73.3 | 174.7 | 0 | 0 | 0 | 111 | V698 E699 R706 | V698-I702 HydrophobicContact CG1-CD1 3.54Å; V698-I702 HydrophobicContact CG1-CG1 4.15Å; V698-I702 VanDerWaalsContact O-CB 3.24Å; V698-I702 WeakPolarHBondContact O-CB 3.41Å; V698-I702 VanDerWaalsContact O-CG1 3.23Å; V698-I702 WeakPolarHBondContact O-CG1 3.47Å; V698-I702 PolarHBondContact O-N 3.18Å; E699-I702 PolarHBondContact O-N 3.47Å; I702-R706 HydrophobicContact CG2-CG 4.17Å; I702-R706 WeakPolarHBondContact O-CB 3.34Å; I702-R706 VanDerWaalsContact O-CG 3.22Å; I702-R706 WeakPolarHBondContact O-CG 3.33Å; I702-R706 PolarHBondContact O-N 3.29Å |
| 703 | H | 57.1 | Low | 57.7 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 177.7 | -160 | 95 | 0 | 0 | 0 | 111.1 | E699 K700 R706 E707 | E699-H703 WeakPolarHBondContact O-CB 3.43Å; E699-H703 PolarHBondContact O-N 3.31Å; K700-H703 PolarHBondContact O-N 3.01Å; H703-R706 PolarHBondContact O-N 3.03Å; H703-E707 PolarHBondContact O-N 3.19Å |
| 704 | S | 58.4 | Low | 58.2 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | K700 Q701 R706 E707 A708 | K700-S704 PolarHBondContact O-N 3.25Å; Q701-S704 PolarHBondContact O-N 2.85Å; S704-R706 PolarHBondContact O-N 3.09Å; S704-E707 PolarHBondContact O-N 2.94Å; S704-A708 WeakPolarHBondContact O-CB 3.41Å; S704-A708 PolarHBondContact O-N 3.37Å |
| 705 | H | 56.9 | Low | 58.9 | Low | 108 Ų | 108 | 99.1 Ų | 99.1 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 173 | -108.7 | -89.2 | 0 | 0 | 0 | 112.4 | Q701 A708 H709 | Q701-H705 PolarHBondContact O-N 2.79Å; H705-A708 PolarHBondContact O-N 3.03Å; H705-H709 AromaticContact CE1-NE2 3.81Å; H705-H709 AromaticContact ND1-CD2 3.54Å; H705-H709 AromaticContact ND1-NE2 3.01Å; H705-H709 PolarHBondContact ND1-NE2 3.46Å; H705-H709 WeakPolarHBondContact O-CB 3.49Å; H705-H709 PolarHBondContact O-CD2 2.81Å; H705-H709 PolarHBondContact O-N 2.94Å |
| 706 | R | 56.4 | Low | 59.4 | Low | 171 Ų | 171 | 99 Ų | 99 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 175.6 | -81.9 | 177.5 | 175 | 173.4 | -1.5 | 111.5 | I702 H703 S704 Q710 | I702-R706 HydrophobicContact CG2-CG 4.17Å; I702-R706 WeakPolarHBondContact O-CB 3.34Å; I702-R706 VanDerWaalsContact O-CG 3.22Å; I702-R706 WeakPolarHBondContact O-CG 3.33Å; I702-R706 PolarHBondContact O-N 3.29Å; H703-R706 PolarHBondContact O-N 3.03Å; S704-R706 PolarHBondContact O-N 3.09Å; R706-Q710 WeakPolarHBondContact O-CA 3.44Å; R706-Q710 WeakPolarHBondContact O-CB 2.92Å; R706-Q710 PolarHBondContact O-N 3.3Å |
| 707 | E | 57.7 | Low | 60.1 | Low | 91 Ų | 91 | 101.9 Ų | 101.9 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 172.7 | -88.3 | -151.5 | 91.4 | 0 | 0 | 112.3 | H703 S704 Q710 K711 | H703-E707 PolarHBondContact O-N 3.19Å; S704-E707 PolarHBondContact O-N 2.94Å; E707-Q710 PolarHBondContact O-N 2.92Å; E707-K711 WeakPolarHBondContact O-CB 3.41Å; E707-K711 VanDerWaalsContact O-CG 3.32Å; E707-K711 WeakPolarHBondContact O-CG 3.49Å; E707-K711 PolarHBondContact O-N 2.84Å; E707-K711 WeakPolarHBondContact OE1-CE 3.49Å; E707-K711 IonicContact OE1-NZ 2.78Å; E707-K711 PolarHBondContact OE1-NZ 3.38Å |
| 708 | A | 60.7 | Low | 60.8 | Low | 56 Ų | 56 | 103.1 Ų | 103.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S704 H705 Q710 K711 Q712 | S704-A708 WeakPolarHBondContact O-CB 3.41Å; S704-A708 PolarHBondContact O-N 3.37Å; H705-A708 PolarHBondContact O-N 3.03Å; A708-Q710 PolarHBondContact O-N 3.14Å; A708-K711 PolarHBondContact O-N 3.43Å; A708-Q712 WeakPolarHBondContact O-CB 3.45Å; A708-Q712 PolarHBondContact O-N 2.82Å |
| 709 | H | 63.5 | Low | 61.8 | Low | 87 Ų | 87 | 104.3 Ų | 104.3 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 175.4 | -71.3 | -55.2 | 0 | 0 | 0 | 112.3 | H705 Q712 I713 | H705-H709 AromaticContact CE1-NE2 3.81Å; H705-H709 AromaticContact ND1-CD2 3.54Å; H705-H709 AromaticContact ND1-NE2 3.01Å; H705-H709 PolarHBondContact ND1-NE2 3.46Å; H705-H709 WeakPolarHBondContact O-CB 3.49Å; H705-H709 PolarHBondContact O-CD2 2.81Å; H705-H709 PolarHBondContact O-N 2.94Å; H709-Q712 PolarHBondContact O-N 3.23Å; H709-I713 HydrophobicContact CB-CD1 4.48Å; H709-I713 WeakPolarHBondContact O-CB 3.5Å; H709-I713 WeakPolarHBondContact O-CD1 3.24Å; H709-I713 WeakPolarHBondContact O-CG1 3.39Å; H709-I713 PolarHBondContact O-N 3.44Å |
| 710 | Q | 58.9 | Low | 62.5 | Low | 142 Ų | 142 | 103.9 Ų | 103.9 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.9 | -35.2 | 178.6 | -173.9 | 167.1 | -10.8 | 0 | 0 | 111.8 | R706 E707 A708 S714 | R706-Q710 WeakPolarHBondContact O-CA 3.44Å; R706-Q710 WeakPolarHBondContact O-CB 2.92Å; R706-Q710 PolarHBondContact O-N 3.3Å; E707-Q710 PolarHBondContact O-N 2.92Å; A708-Q710 PolarHBondContact O-N 3.14Å; Q710-S714 WeakPolarHBondContact O-CB 3.38Å; Q710-S714 PolarHBondContact O-N 2.83Å |
| 711 | K | 67 | Low | 62.8 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 169.7 | -72.8 | 165.1 | -171.6 | 160.4 | 0 | 111.5 | E707 A708 S714 S715 | E707-K711 WeakPolarHBondContact O-CB 3.41Å; E707-K711 VanDerWaalsContact O-CG 3.32Å; E707-K711 WeakPolarHBondContact O-CG 3.49Å; E707-K711 PolarHBondContact O-N 2.84Å; E707-K711 WeakPolarHBondContact OE1-CE 3.49Å; E707-K711 IonicContact OE1-NZ 2.78Å; E707-K711 PolarHBondContact OE1-NZ 3.38Å; A708-K711 PolarHBondContact O-N 3.43Å; K711-S714 WeakPolarHBondContact O-CB 3.37Å; K711-S714 PolarHBondContact O-N 3.47Å; K711-S715 PolarHBondContact O-N 3.47Å |
| 712 | Q | 67.8 | Low | 64 | Low | 113 Ų | 113 | 99.3 Ų | 99.3 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 176.3 | -165.7 | 176.5 | 18.7 | 0 | 0 | 112.4 | A708 H709 S715 L716 | A708-Q712 WeakPolarHBondContact O-CB 3.45Å; A708-Q712 PolarHBondContact O-N 2.82Å; H709-Q712 PolarHBondContact O-N 3.23Å; Q712-S715 PolarHBondContact O-N 2.96Å; Q712-L716 HydrophobicContact CG-CD1 4.26Å; Q712-L716 WeakPolarHBondContact O-CB 3.31Å; Q712-L716 VanDerWaalsContact O-CG 3.28Å; Q712-L716 WeakPolarHBondContact O-CG 3.37Å; Q712-L716 PolarHBondContact O-N 3.36Å |
| 713 | I | 61.8 | Low | 65.2 | Low | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 174.4 | -71.6 | 164.8 | 0 | 0 | 0 | 110.9 | H709 R717 | H709-I713 HydrophobicContact CB-CD1 4.48Å; H709-I713 WeakPolarHBondContact O-CB 3.5Å; H709-I713 WeakPolarHBondContact O-CD1 3.24Å; H709-I713 WeakPolarHBondContact O-CG1 3.39Å; H709-I713 PolarHBondContact O-N 3.44Å; I713-R717 HydrophobicContact CG2-CG 4.49Å; I713-R717 WeakPolarHBondContact O-CB 3.39Å; I713-R717 VanDerWaalsContact O-CG 3.22Å; I713-R717 WeakPolarHBondContact O-CG 3.41Å; I713-R717 PolarHBondContact O-N 3.45Å |
| 714 | S | 61.8 | Low | 65.9 | Low | 58 Ų | 58 | 100.4 Ų | 100.4 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -56.7 | 169.1 | -163.6 | 0 | 0 | 0 | 0 | 109.8 | Q710 K711 L716 R717 D718 | Q710-S714 WeakPolarHBondContact O-CB 3.38Å; Q710-S714 PolarHBondContact O-N 2.83Å; K711-S714 WeakPolarHBondContact O-CB 3.37Å; K711-S714 PolarHBondContact O-N 3.47Å; S714-L716 PolarHBondContact O-N 3.09Å; S714-L716 VanDerWaalsContact O-N 3.15Å; S714-R717 CarbonylContact O-C 3.6Å; S714-R717 WeakPolarHBondContact O-CA 3.47Å; S714-R717 WeakPolarHBondContact O-CB 3.48Å; S714-R717 PolarHBondContact O-N 3.34Å; S714-D718 PolarHBondContact O-N 3.48Å; S714-D718 PolarHBondContact OG-OD2 3.06Å |
| 715 | S | 69.6 | Low | 66.8 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.4 | -36 | 179.9 | -169 | 0 | 0 | 0 | 0 | 113.3 | K711 Q712 E719 | K711-S715 PolarHBondContact O-N 3.47Å; Q712-S715 PolarHBondContact O-N 2.96Å; S715-E719 WeakPolarHBondContact O-CB 3.48Å; S715-E719 PolarHBondContact O-N 2.91Å |
| 716 | L | 66 | Low | 68.2 | Low | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.2 | -31.8 | 175.8 | -73.5 | 169.8 | 0 | 0 | 0 | 112.9 | Q712 S714 L720 | Q712-L716 HydrophobicContact CG-CD1 4.26Å; Q712-L716 WeakPolarHBondContact O-CB 3.31Å; Q712-L716 VanDerWaalsContact O-CG 3.28Å; Q712-L716 WeakPolarHBondContact O-CG 3.37Å; Q712-L716 PolarHBondContact O-N 3.36Å; S714-L716 PolarHBondContact O-N 3.09Å; S714-L716 VanDerWaalsContact O-N 3.15Å; L716-L720 WeakPolarHBondContact O-CB 3.46Å; L716-L720 PolarHBondContact O-N 2.89Å |
| 717 | R | 66.6 | Low | 69.2 | Low | 166 Ų | 166 | 97 Ų | 97 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | 169.3 | -75 | 168.5 | 179.9 | -179 | 0 | 111 | I713 S714 E719 L720 D721 | I713-R717 HydrophobicContact CG2-CG 4.49Å; I713-R717 WeakPolarHBondContact O-CB 3.39Å; I713-R717 VanDerWaalsContact O-CG 3.22Å; I713-R717 WeakPolarHBondContact O-CG 3.41Å; I713-R717 PolarHBondContact O-N 3.45Å; S714-R717 CarbonylContact O-C 3.6Å; S714-R717 WeakPolarHBondContact O-CA 3.47Å; S714-R717 WeakPolarHBondContact O-CB 3.48Å; S714-R717 PolarHBondContact O-N 3.34Å; R717-E719 VanDerWaalsContact C-N 3.27Å; R717-E719 PolarHBondContact O-N 2.87Å; R717-L720 CarbonylContact O-C 3.59Å; R717-L720 WeakPolarHBondContact O-CA 3.49Å; R717-L720 PolarHBondContact O-N 3.28Å; R717-D721 WeakPolarHBondContact O-CB 3.38Å; R717-D721 PolarHBondContact O-N 3.16Å |
| 718 | D | 69.6 | Low | 70.1 | Confident | 87 Ų | 87 | 96.1 Ų | 96.1 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 176.5 | -59.7 | -46.1 | 0 | 0 | 0 | 111 | S714 N722 | S714-D718 PolarHBondContact O-N 3.48Å; S714-D718 PolarHBondContact OG-OD2 3.06Å; D718-N722 WeakPolarHBondContact O-CB 3.3Å; D718-N722 PolarHBondContact O-N 2.81Å; D718-N722 PolarHBondContact O-ND2 3.43Å |
| 719 | E | 77.4 | Confident | 71.1 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 169.4 | -88.5 | -164.3 | -131.7 | 0 | 0 | 114 | S715 R717 K723 | S715-E719 WeakPolarHBondContact O-CB 3.48Å; S715-E719 PolarHBondContact O-N 2.91Å; R717-E719 VanDerWaalsContact C-N 3.27Å; R717-E719 PolarHBondContact O-N 2.87Å; E719-K723 WeakPolarHBondContact O-CB 3.43Å; E719-K723 WeakPolarHBondContact O-CD 3.37Å; E719-K723 VanDerWaalsContact O-CG 3.27Å; E719-K723 WeakPolarHBondContact O-CG 3.47Å; E719-K723 PolarHBondContact O-N 2.84Å; E719-K723 IonicContact OE2-NZ 3.75Å; E719-K723 PolarHBondContact OE2-NZ 3.11Å |
| 720 | L | 68.2 | Low | 72 | Confident | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.4 | -47.2 | -178.6 | -168.2 | 151.4 | 0 | 0 | 0 | 110.7 | L716 R717 N722 K723 E724 | L716-L720 WeakPolarHBondContact O-CB 3.46Å; L716-L720 PolarHBondContact O-N 2.89Å; R717-L720 CarbonylContact O-C 3.59Å; R717-L720 WeakPolarHBondContact O-CA 3.49Å; R717-L720 PolarHBondContact O-N 3.28Å; L720-N722 PolarHBondContact O-N 2.68Å; L720-K723 CarbonylContact O-C 3.54Å; L720-K723 WeakPolarHBondContact O-CA 3.3Å; L720-K723 PolarHBondContact O-N 2.63Å; L720-E724 HydrophobicContact CD2-CG 3.95Å; L720-E724 PolarHBondContact O-N 2.79Å |
| 721 | D | 65.3 | Low | 72.8 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51.3 | -43.2 | 169 | -90 | 48.5 | 0 | 0 | 0 | 111.8 | R717 E724 K725 | R717-D721 WeakPolarHBondContact O-CB 3.38Å; R717-D721 PolarHBondContact O-N 3.16Å; D721-E724 PolarHBondContact O-N 3.37Å; D721-K725 WeakPolarHBondContact O-CD 3.03Å; D721-K725 WeakPolarHBondContact O-CE 3.45Å; D721-K725 VanDerWaalsContact O-CG 3.22Å; D721-K725 WeakPolarHBondContact O-CG 3.37Å; D721-K725 PolarHBondContact O-N 3.01Å |
| 722 | N | 77.9 | Confident | 73.4 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.8 | -30.5 | 178.7 | -71.5 | -25.4 | 0 | 0 | 0 | 112.6 | D718 L720 K725 L726 | D718-N722 WeakPolarHBondContact O-CB 3.3Å; D718-N722 PolarHBondContact O-N 2.81Å; D718-N722 PolarHBondContact O-ND2 3.43Å; L720-N722 PolarHBondContact O-N 2.68Å; N722-K725 PolarHBondContact OD1-NZ 3.42Å; N722-K725 VanDerWaalsContact OD1-NZ 3.15Å; N722-L726 WeakPolarHBondContact O-CB 3.48Å; N722-L726 PolarHBondContact O-N 3.49Å; N722-L726 VanDerWaalsContact O-N 3.11Å |
| 723 | K | 80.8 | Confident | 74.3 | Confident | 111 Ų | 111 | 96.7 Ų | 96.7 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.7 | -36.3 | 171.5 | -73.1 | 163 | -167.2 | 159.8 | 0 | 111.9 | E719 L720 L726 I727 | E719-K723 WeakPolarHBondContact O-CB 3.43Å; E719-K723 WeakPolarHBondContact O-CD 3.37Å; E719-K723 VanDerWaalsContact O-CG 3.27Å; E719-K723 WeakPolarHBondContact O-CG 3.47Å; E719-K723 PolarHBondContact O-N 2.84Å; E719-K723 IonicContact OE2-NZ 3.75Å; E719-K723 PolarHBondContact OE2-NZ 3.11Å; L720-K723 CarbonylContact O-C 3.54Å; L720-K723 WeakPolarHBondContact O-CA 3.3Å; L720-K723 PolarHBondContact O-N 2.63Å; K723-L726 PolarHBondContact O-N 3.11Å; K723-I727 WeakPolarHBondContact O-CB 3.42Å; K723-I727 WeakPolarHBondContact O-CD1 3.13Å; K723-I727 WeakPolarHBondContact O-CG1 3.34Å; K723-I727 PolarHBondContact O-N 3.09Å |
| 724 | E | 71 | Confident | 74.9 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 173 | -75 | -168.3 | 158.4 | 0 | 0 | 111.8 | L720 D721 I727 T728 | L720-E724 HydrophobicContact CD2-CG 3.95Å; L720-E724 PolarHBondContact O-N 2.79Å; D721-E724 PolarHBondContact O-N 3.37Å; E724-I727 PolarHBondContact O-N 3.42Å; E724-T728 WeakPolarHBondContact O-CB 3.21Å; E724-T728 PolarHBondContact O-N 3.14Å; E724-T728 PolarHBondContact O-OG1 3.09Å |
| 725 | K | 78.4 | Confident | 75.9 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 45% | 0.452 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 170.2 | -71.3 | 161.8 | -155.1 | 157.7 | 0 | 111.3 | D721 N722 I727 T728 E729 | D721-K725 WeakPolarHBondContact O-CD 3.03Å; D721-K725 WeakPolarHBondContact O-CE 3.45Å; D721-K725 VanDerWaalsContact O-CG 3.22Å; D721-K725 WeakPolarHBondContact O-CG 3.37Å; D721-K725 PolarHBondContact O-N 3.01Å; N722-K725 PolarHBondContact OD1-NZ 3.42Å; N722-K725 VanDerWaalsContact OD1-NZ 3.15Å; K725-I727 VanDerWaalsContact C-N 3.33Å; K725-I727 PolarHBondContact O-N 3.11Å; K725-T728 WeakPolarHBondContact O-CB 3.33Å; K725-T728 PolarHBondContact O-N 2.78Å; K725-T728 VanDerWaalsContact O-N 3.08Å; K725-E729 WeakPolarHBondContact O-CG 3.27Å; K725-E729 PolarHBondContact O-N 3.41Å |
| 726 | L | 86.8 | Confident | 76.5 | Confident | 94 Ų | 94 | 104.1 Ų | 104.1 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 178 | -177.5 | 61.9 | 0 | 0 | 0 | 112.6 | N722 K723 T728 L730 | N722-L726 WeakPolarHBondContact O-CB 3.48Å; N722-L726 PolarHBondContact O-N 3.49Å; N722-L726 VanDerWaalsContact O-N 3.11Å; K723-L726 PolarHBondContact O-N 3.11Å; L726-T728 VanDerWaalsContact C-N 3.35Å; L726-L730 HydrophobicContact CD1-CD1 4.32Å; L726-L730 HydrophobicContact CD1-CG 4.38Å; L726-L730 HydrophobicContact CG-CD1 4.1Å; L726-L730 VanDerWaalsContact O-CB 3.31Å; L726-L730 WeakPolarHBondContact O-CB 3.32Å; L726-L730 WeakPolarHBondContact O-CG 3.31Å; L726-L730 PolarHBondContact O-N 3.34Å |
| 727 | I | 76.2 | Confident | 77.3 | Confident | 88 Ų | 88 | 104 Ų | 104 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.8 | -74 | 163.6 | 0 | 0 | 0 | 110.5 | K723 E724 K725 L730 Q731 | K723-I727 WeakPolarHBondContact O-CB 3.42Å; K723-I727 WeakPolarHBondContact O-CD1 3.13Å; K723-I727 WeakPolarHBondContact O-CG1 3.34Å; K723-I727 PolarHBondContact O-N 3.09Å; E724-I727 PolarHBondContact O-N 3.42Å; K725-I727 VanDerWaalsContact C-N 3.33Å; K725-I727 PolarHBondContact O-N 3.11Å; I727-L730 PolarHBondContact O-N 3.07Å; I727-Q731 HydrophobicContact CG2-CG 4.44Å; I727-Q731 WeakPolarHBondContact O-CB 3.32Å; I727-Q731 WeakPolarHBondContact O-CG 3.48Å; I727-Q731 PolarHBondContact O-N 3.37Å |
| 728 | T | 76.7 | Confident | 78 | Confident | 72 Ų | 72 | 101.6 Ų | 101.6 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 177.4 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | E724 K725 L726 L730 Q731 D732 | E724-T728 WeakPolarHBondContact O-CB 3.21Å; E724-T728 PolarHBondContact O-N 3.14Å; E724-T728 PolarHBondContact O-OG1 3.09Å; K725-T728 WeakPolarHBondContact O-CB 3.33Å; K725-T728 PolarHBondContact O-N 2.78Å; K725-T728 VanDerWaalsContact O-N 3.08Å; L726-T728 VanDerWaalsContact C-N 3.35Å; T728-L730 VanDerWaalsContact C-N 3.32Å; T728-L730 PolarHBondContact O-N 2.71Å; T728-Q731 WeakPolarHBondContact O-CB 3.37Å; T728-Q731 PolarHBondContact O-N 3.47Å; T728-Q731 VanDerWaalsContact O-N 3.14Å; T728-D732 PolarHBondContact O-N 3.42Å |
| 729 | E | 82.5 | Confident | 78.6 | Confident | 128 Ų | 128 | 103 Ų | 103 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 175.1 | -72.3 | 174.1 | -167.2 | 0 | 0 | 112.1 | K725 L733 | K725-E729 WeakPolarHBondContact O-CG 3.27Å; K725-E729 PolarHBondContact O-N 3.41Å; E729-L733 VanDerWaalsContact O-CB 3.23Å; E729-L733 WeakPolarHBondContact O-CB 3.38Å; E729-L733 PolarHBondContact O-N 2.92Å |
| 730 | L | 81.4 | Confident | 78.9 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 174.5 | -72.4 | 170.8 | 0 | 0 | 0 | 112.5 | L726 I727 T728 N734 | L726-L730 HydrophobicContact CD1-CD1 4.32Å; L726-L730 HydrophobicContact CD1-CG 4.38Å; L726-L730 HydrophobicContact CG-CD1 4.1Å; L726-L730 VanDerWaalsContact O-CB 3.31Å; L726-L730 WeakPolarHBondContact O-CB 3.32Å; L726-L730 WeakPolarHBondContact O-CG 3.31Å; L726-L730 PolarHBondContact O-N 3.34Å; I727-L730 PolarHBondContact O-N 3.07Å; T728-L730 VanDerWaalsContact C-N 3.32Å; T728-L730 PolarHBondContact O-N 2.71Å; L730-N734 WeakPolarHBondContact O-CB 3.46Å; L730-N734 PolarHBondContact O-N 2.96Å |
| 731 | Q | 76.1 | Confident | 79.1 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 173.3 | -78 | 171 | 4.9 | 0 | 0 | 111.3 | I727 T728 L733 N734 Q735 | I727-Q731 HydrophobicContact CG2-CG 4.44Å; I727-Q731 WeakPolarHBondContact O-CB 3.32Å; I727-Q731 WeakPolarHBondContact O-CG 3.48Å; I727-Q731 PolarHBondContact O-N 3.37Å; T728-Q731 WeakPolarHBondContact O-CB 3.37Å; T728-Q731 PolarHBondContact O-N 3.47Å; T728-Q731 VanDerWaalsContact O-N 3.14Å; Q731-L733 PolarHBondContact O-N 2.93Å; Q731-N734 PolarHBondContact O-N 2.96Å; Q731-Q735 WeakPolarHBondContact O-CB 3.45Å; Q731-Q735 PolarHBondContact O-N 3.02Å |
| 732 | D | 79.5 | Confident | 79.9 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.9 | -87.8 | 3.5 | 0 | 0 | 0 | 111.4 | T728 Q735 K736 | T728-D732 PolarHBondContact O-N 3.42Å; D732-Q735 PolarHBondContact O-N 2.76Å; D732-K736 WeakPolarHBondContact O-CB 3.08Å; D732-K736 PolarHBondContact O-N 3.29Å |
| 733 | L | 85.7 | Confident | 80.3 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 177.2 | -178.3 | 62.4 | 0 | 0 | 0 | 111.7 | E729 Q731 K736 I737 | E729-L733 VanDerWaalsContact O-CB 3.23Å; E729-L733 WeakPolarHBondContact O-CB 3.38Å; E729-L733 PolarHBondContact O-N 2.92Å; Q731-L733 PolarHBondContact O-N 2.93Å; L733-K736 PolarHBondContact O-N 2.96Å; L733-I737 HydrophobicContact CD1-CD1 4.28Å; L733-I737 HydrophobicContact CG-CD1 4.04Å; L733-I737 VanDerWaalsContact O-CG1 3.29Å; L733-I737 WeakPolarHBondContact O-CG1 2.82Å; L733-I737 PolarHBondContact O-N 3.34Å |
| 734 | N | 76.1 | Confident | 80.2 | Confident | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 178.3 | -164.4 | 8.5 | 0 | 0 | 0 | 111.2 | L730 Q731 K736 I737 M738 | L730-N734 WeakPolarHBondContact O-CB 3.46Å; L730-N734 PolarHBondContact O-N 2.96Å; Q731-N734 PolarHBondContact O-N 2.96Å; N734-K736 VanDerWaalsContact C-N 3.33Å; N734-K736 PolarHBondContact O-N 3.48Å; N734-I737 PolarHBondContact O-N 3.48Å; N734-M738 WeakPolarHBondContact O-CG 3.44Å; N734-M738 PolarHBondContact O-N 3.46Å |
| 735 | Q | 81.1 | Confident | 80.7 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -40.8 | 173.1 | -172.8 | 173.9 | 9.3 | 0 | 0 | 111.6 | Q731 D732 M738 L739 | Q731-Q735 WeakPolarHBondContact O-CB 3.45Å; Q731-Q735 PolarHBondContact O-N 3.02Å; D732-Q735 PolarHBondContact O-N 2.76Å; Q735-M738 PolarHBondContact O-N 3.5Å; Q735-L739 HydrophobicContact CG-CD1 4.38Å; Q735-L739 VanDerWaalsContact O-CG 3.31Å; Q735-L739 WeakPolarHBondContact O-CG 3.42Å; Q735-L739 PolarHBondContact O-N 2.97Å |
| 736 | K | 82.9 | Confident | 80.9 | Confident | 147 Ų | 147 | 103.6 Ų | 103.6 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 174.4 | -172.1 | 175.9 | -178.1 | 178.8 | 0 | 112.4 | D732 L733 N734 L739 E740 | D732-K736 WeakPolarHBondContact O-CB 3.08Å; D732-K736 PolarHBondContact O-N 3.29Å; L733-K736 PolarHBondContact O-N 2.96Å; N734-K736 VanDerWaalsContact C-N 3.33Å; N734-K736 PolarHBondContact O-N 3.48Å; K736-L739 PolarHBondContact O-N 3.41Å; K736-E740 PolarHBondContact O-N 2.77Å; K736-E740 VanDerWaalsContact O-N 3.09Å |
| 737 | I | 83.9 | Confident | 80.6 | Confident | 96 Ų | 96 | 103.2 Ų | 103.2 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 174.4 | -71.1 | 166.2 | 0 | 0 | 0 | 110.7 | L733 N734 L739 E740 Q741 | L733-I737 HydrophobicContact CD1-CD1 4.28Å; L733-I737 HydrophobicContact CG-CD1 4.04Å; L733-I737 VanDerWaalsContact O-CG1 3.29Å; L733-I737 WeakPolarHBondContact O-CG1 2.82Å; L733-I737 PolarHBondContact O-N 3.34Å; N734-I737 PolarHBondContact O-N 3.48Å; I737-L739 VanDerWaalsContact C-N 3.35Å; I737-L739 PolarHBondContact O-N 3.16Å; I737-E740 PolarHBondContact O-N 3.04Å; I737-Q741 VanDerWaalsContact O-CB 3.27Å; I737-Q741 WeakPolarHBondContact O-CB 3.22Å; I737-Q741 PolarHBondContact O-N 3.39Å |
| 738 | M | 80.7 | Confident | 80.9 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 174.9 | -73.3 | -180 | 69.7 | 0 | 0 | 112.2 | N734 Q735 Q741 E742 | N734-M738 WeakPolarHBondContact O-CG 3.44Å; N734-M738 PolarHBondContact O-N 3.46Å; Q735-M738 PolarHBondContact O-N 3.5Å; M738-Q741 PolarHBondContact O-N 3.47Å; M738-E742 WeakPolarHBondContact O-CB 3.19Å; M738-E742 PolarHBondContact O-N 3.18Å |
| 739 | L | 82.4 | Confident | 81 | Confident | 116 Ų | 116 | 105.8 Ų | 105.8 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 177.9 | -73.7 | 167.8 | 0 | 0 | 0 | 112.5 | Q735 K736 I737 E742 R743 | Q735-L739 HydrophobicContact CG-CD1 4.38Å; Q735-L739 VanDerWaalsContact O-CG 3.31Å; Q735-L739 WeakPolarHBondContact O-CG 3.42Å; Q735-L739 PolarHBondContact O-N 2.97Å; K736-L739 PolarHBondContact O-N 3.41Å; I737-L739 VanDerWaalsContact C-N 3.35Å; I737-L739 PolarHBondContact O-N 3.16Å; L739-E742 PolarHBondContact O-N 3.36Å; L739-R743 WeakPolarHBondContact O-CB 3.24Å; L739-R743 PolarHBondContact O-N 2.85Å |
| 740 | E | 82.5 | Confident | 81.1 | Confident | 87 Ų | 87 | 106 Ų | 106 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -34.7 | 174 | -81.1 | -65.5 | 158.7 | 0 | 0 | 112.3 | K736 I737 E742 R743 L744 | K736-E740 PolarHBondContact O-N 2.77Å; K736-E740 VanDerWaalsContact O-N 3.09Å; I737-E740 PolarHBondContact O-N 3.04Å; E740-E742 PolarHBondContact O-N 2.81Å; E740-R743 PolarHBondContact O-N 2.73Å; E740-R743 IonicContact OE1-NH1 3.42Å; E740-R743 PolarHBondContact OE1-NH1 3Å; E740-R743 WeakPolarHBondContact OE2-CD 3.22Å; E740-R743 IonicContact OE2-NH1 3.7Å; E740-R743 PolarHBondContact OE2-NH1 3.31Å; E740-L744 WeakPolarHBondContact O-CB 3.23Å; E740-L744 VanDerWaalsContact O-CG 3.32Å; E740-L744 WeakPolarHBondContact O-CG 3.24Å; E740-L744 PolarHBondContact O-N 3.09Å |
| 741 | Q | 73.3 | Confident | 80.9 | Confident | 110 Ų | 110 | 107.5 Ų | 107.5 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 173.4 | -165.1 | -170.9 | 31.7 | 0 | 0 | 111.5 | I737 M738 L744 K745 | I737-Q741 VanDerWaalsContact O-CB 3.27Å; I737-Q741 WeakPolarHBondContact O-CB 3.22Å; I737-Q741 PolarHBondContact O-N 3.39Å; M738-Q741 PolarHBondContact O-N 3.47Å; Q741-L744 PolarHBondContact O-N 2.98Å; Q741-K745 WeakPolarHBondContact O-CG 3.4Å; Q741-K745 PolarHBondContact O-N 3.4Å |
| 742 | E | 81.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 177.2 | -162.4 | 59.9 | -150.6 | 0 | 0 | 111.6 | M738 L739 E740 L744 K745 V746 | M738-E742 WeakPolarHBondContact O-CB 3.19Å; M738-E742 PolarHBondContact O-N 3.18Å; L739-E742 PolarHBondContact O-N 3.36Å; E740-E742 PolarHBondContact O-N 2.81Å; E742-L744 PolarHBondContact O-N 3.36Å; E742-K745 PolarHBondContact O-N 3.11Å; E742-K745 WeakPolarHBondContact OE2-CD 3.4Å; E742-K745 WeakPolarHBondContact OE2-CE 3.41Å; E742-K745 IonicContact OE2-NZ 3.51Å; E742-K745 PolarHBondContact OE2-NZ 3Å; E742-V746 WeakPolarHBondContact O-CG2 3.42Å; E742-V746 PolarHBondContact O-N 2.96Å |
| 743 | R | 86.5 | Confident | 81.2 | Confident | 130 Ų | 130 | 104.3 Ų | 104.3 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 170.7 | 179.4 | -175.3 | 166 | -162.1 | -4.4 | 111.7 | L739 E740 K745 V746 E747 | L739-R743 WeakPolarHBondContact O-CB 3.24Å; L739-R743 PolarHBondContact O-N 2.85Å; E740-R743 PolarHBondContact O-N 2.73Å; E740-R743 IonicContact OE1-NH1 3.42Å; E740-R743 PolarHBondContact OE1-NH1 3Å; E740-R743 WeakPolarHBondContact OE2-CD 3.22Å; E740-R743 IonicContact OE2-NH1 3.7Å; E740-R743 PolarHBondContact OE2-NH1 3.31Å; R743-K745 VanDerWaalsContact C-N 3.34Å; R743-K745 PolarHBondContact O-N 2.9Å; R743-V746 PolarHBondContact O-N 3.4Å; R743-V746 VanDerWaalsContact O-N 3.13Å; R743-E747 IonicContact CZ-OE1 3.64Å; R743-E747 IonicContact NE-OE1 3.63Å; R743-E747 PolarHBondContact NE-OE1 3.49Å; R743-E747 IonicContact NH2-OE1 2.69Å; R743-E747 PolarHBondContact NH2-OE1 2.94Å; R743-E747 PolarHBondContact O-N 3.23Å |
| 744 | L | 78.9 | Confident | 80.9 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 178 | -77.6 | 164.7 | 0 | 0 | 0 | 112.4 | E740 Q741 E742 H748 | E740-L744 WeakPolarHBondContact O-CB 3.23Å; E740-L744 VanDerWaalsContact O-CG 3.32Å; E740-L744 WeakPolarHBondContact O-CG 3.24Å; E740-L744 PolarHBondContact O-N 3.09Å; Q741-L744 PolarHBondContact O-N 2.98Å; E742-L744 PolarHBondContact O-N 3.36Å; L744-H748 VanDerWaalsContact O-CB 3.24Å; L744-H748 WeakPolarHBondContact O-CB 3.22Å; L744-H748 PolarHBondContact O-N 3.41Å |
| 745 | K | 81.1 | Confident | 81.1 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 170.5 | -69 | 172.5 | -153.3 | 161.6 | 0 | 111.8 | Q741 E742 R743 H748 E749 | Q741-K745 WeakPolarHBondContact O-CG 3.4Å; Q741-K745 PolarHBondContact O-N 3.4Å; E742-K745 PolarHBondContact O-N 3.11Å; E742-K745 WeakPolarHBondContact OE2-CD 3.4Å; E742-K745 WeakPolarHBondContact OE2-CE 3.41Å; E742-K745 IonicContact OE2-NZ 3.51Å; E742-K745 PolarHBondContact OE2-NZ 3Å; R743-K745 VanDerWaalsContact C-N 3.34Å; R743-K745 PolarHBondContact O-N 2.9Å; K745-H748 PolarHBondContact O-N 2.83Å; K745-E749 PolarHBondContact O-N 2.86Å |
| 746 | V | 83.6 | Confident | 81.1 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | E742 R743 K750 | E742-V746 WeakPolarHBondContact O-CG2 3.42Å; E742-V746 PolarHBondContact O-N 2.96Å; R743-V746 PolarHBondContact O-N 3.4Å; R743-V746 VanDerWaalsContact O-N 3.13Å; V746-K750 HydrophobicContact CG1-CD 4.48Å; V746-K750 VanDerWaalsContact O-CG 3.26Å; V746-K750 WeakPolarHBondContact O-CG 3.47Å; V746-K750 PolarHBondContact O-N 3.08Å |
| 747 | E | 80.5 | Confident | 81 | Confident | 86 Ų | 86 | 100.9 Ų | 100.9 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 172.7 | -70.1 | -178.4 | -160.3 | 0 | 0 | 111.4 | R743 K750 L751 | R743-E747 IonicContact CZ-OE1 3.64Å; R743-E747 IonicContact NE-OE1 3.63Å; R743-E747 PolarHBondContact NE-OE1 3.49Å; R743-E747 IonicContact NH2-OE1 2.69Å; R743-E747 PolarHBondContact NH2-OE1 2.94Å; R743-E747 PolarHBondContact O-N 3.23Å; E747-K750 PolarHBondContact O-N 2.97Å; E747-L751 PolarHBondContact O-N 3.4Å |
| 748 | H | 82 | Confident | 80.9 | Confident | 117 Ų | 117 | 102.6 Ų | 102.6 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.1 | -176.9 | 79 | 0 | 0 | 0 | 113.3 | L744 K745 K750 L751 K752 | L744-H748 VanDerWaalsContact O-CB 3.24Å; L744-H748 WeakPolarHBondContact O-CB 3.22Å; L744-H748 PolarHBondContact O-N 3.41Å; K745-H748 PolarHBondContact O-N 2.83Å; H748-K750 VanDerWaalsContact C-N 3.33Å; H748-K750 PolarHBondContact O-N 2.94Å; H748-L751 WeakPolarHBondContact O-CB 3.48Å; H748-L751 PolarHBondContact O-N 2.91Å; H748-L751 VanDerWaalsContact O-N 3.16Å; H748-K752 VanDerWaalsContact O-CB 3.31Å; H748-K752 WeakPolarHBondContact O-CB 3.48Å; H748-K752 PolarHBondContact O-N 3.43Å |
| 749 | E | 79.8 | Confident | 80.8 | Confident | 97 Ų | 97 | 100 Ų | 100 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.1 | -32.9 | 177.2 | -74.9 | -63.1 | 150.8 | 0 | 0 | 112.3 | K745 K752 S753 | K745-E749 PolarHBondContact O-N 2.86Å; E749-K752 IonicContact OE1-NZ 3.73Å; E749-K752 PolarHBondContact OE1-NZ 3.24Å; E749-K752 IonicContact OE2-NZ 2.86Å; E749-K752 PolarHBondContact OE2-NZ 2.98Å; E749-S753 WeakPolarHBondContact O-CB 3.42Å; E749-S753 PolarHBondContact O-N 3.11Å |
| 750 | K | 82.9 | Confident | 80.8 | Confident | 134 Ų | 134 | 102.4 Ų | 102.4 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 169.5 | -77 | 172.5 | -178.7 | 177 | 0 | 112 | V746 E747 H748 S753 T754 | V746-K750 HydrophobicContact CG1-CD 4.48Å; V746-K750 VanDerWaalsContact O-CG 3.26Å; V746-K750 WeakPolarHBondContact O-CG 3.47Å; V746-K750 PolarHBondContact O-N 3.08Å; E747-K750 PolarHBondContact O-N 2.97Å; H748-K750 VanDerWaalsContact C-N 3.33Å; H748-K750 PolarHBondContact O-N 2.94Å; K750-S753 PolarHBondContact O-N 2.92Å; K750-T754 WeakPolarHBondContact O-CB 3.44Å; K750-T754 PolarHBondContact O-N 2.71Å; K750-T754 PolarHBondContact O-OG1 3.16Å |
| 751 | L | 78.4 | Confident | 80.7 | Confident | 128 Ų | 128 | 103.2 Ų | 103.2 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 178.1 | -134.9 | 74.4 | 0 | 0 | 0 | 110.9 | E747 H748 T754 D755 | E747-L751 PolarHBondContact O-N 3.4Å; H748-L751 WeakPolarHBondContact O-CB 3.48Å; H748-L751 PolarHBondContact O-N 2.91Å; H748-L751 VanDerWaalsContact O-N 3.16Å; L751-T754 WeakPolarHBondContact O-CB 3.48Å; L751-T754 PolarHBondContact O-N 3.34Å; L751-T754 VanDerWaalsContact O-N 3.11Å; L751-D755 PolarHBondContact O-N 3.27Å |
| 752 | K | 81.5 | Confident | 80.9 | Confident | 82 Ų | 82 | 103.3 Ų | 103.3 | 36% | 0.357 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.6 | 176.7 | 176.9 | 160 | -134.8 | 0 | 112.8 | H748 E749 T754 D755 Q756 | H748-K752 VanDerWaalsContact O-CB 3.31Å; H748-K752 WeakPolarHBondContact O-CB 3.48Å; H748-K752 PolarHBondContact O-N 3.43Å; E749-K752 IonicContact OE1-NZ 3.73Å; E749-K752 PolarHBondContact OE1-NZ 3.24Å; E749-K752 IonicContact OE2-NZ 2.86Å; E749-K752 PolarHBondContact OE2-NZ 2.98Å; K752-T754 VanDerWaalsContact C-N 3.3Å; K752-T754 PolarHBondContact O-N 3.18Å; K752-D755 PolarHBondContact O-N 3.05Å; K752-Q756 WeakPolarHBondContact O-CB 3.41Å; K752-Q756 VanDerWaalsContact O-CG 3.31Å; K752-Q756 WeakPolarHBondContact O-CG 3.22Å; K752-Q756 PolarHBondContact O-N 3.32Å |
| 753 | S | 79.1 | Confident | 81 | Confident | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 171.7 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | E749 K750 E757 | E749-S753 WeakPolarHBondContact O-CB 3.42Å; E749-S753 PolarHBondContact O-N 3.11Å; K750-S753 PolarHBondContact O-N 2.92Å; S753-E757 PolarHBondContact O-N 3Å |
| 754 | T | 80.3 | Confident | 80.8 | Confident | 69 Ų | 69 | 102.7 Ų | 102.7 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K750 L751 K752 E757 K758 | K750-T754 WeakPolarHBondContact O-CB 3.44Å; K750-T754 PolarHBondContact O-N 2.71Å; K750-T754 PolarHBondContact O-OG1 3.16Å; L751-T754 WeakPolarHBondContact O-CB 3.48Å; L751-T754 PolarHBondContact O-N 3.34Å; L751-T754 VanDerWaalsContact O-N 3.11Å; K752-T754 VanDerWaalsContact C-N 3.3Å; K752-T754 PolarHBondContact O-N 3.18Å; T754-E757 PolarHBondContact O-N 2.88Å; T754-K758 HydrophobicContact CG2-CD 4.45Å; T754-K758 WeakPolarHBondContact O-CB 3.18Å; T754-K758 WeakPolarHBondContact O-CG 3.35Å; T754-K758 PolarHBondContact O-N 3.34Å |
| 755 | D | 79.8 | Confident | 80.8 | Confident | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.8 | -175.4 | 67.8 | 0 | 0 | 0 | 112.4 | L751 K752 K758 S759 | L751-D755 PolarHBondContact O-N 3.27Å; K752-D755 PolarHBondContact O-N 3.05Å; D755-K758 PolarHBondContact O-N 3.01Å; D755-S759 VanDerWaalsContact O-CB 3.28Å; D755-S759 WeakPolarHBondContact O-CB 3.32Å; D755-S759 PolarHBondContact O-N 3.15Å; D755-S759 PolarHBondContact O-OG 3.46Å |
| 756 | Q | 80.8 | Confident | 80.8 | Confident | 113 Ų | 113 | 101 Ų | 101 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 173.1 | -73.6 | 176.5 | -8.5 | 0 | 0 | 112.2 | K752 S759 R760 | K752-Q756 WeakPolarHBondContact O-CB 3.41Å; K752-Q756 VanDerWaalsContact O-CG 3.31Å; K752-Q756 WeakPolarHBondContact O-CG 3.22Å; K752-Q756 PolarHBondContact O-N 3.32Å; Q756-S759 PolarHBondContact O-N 2.91Å; Q756-R760 WeakPolarHBondContact O-CB 3.41Å; Q756-R760 PolarHBondContact O-N 3.21Å |
| 757 | E | 82.3 | Confident | 80.8 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | 176.5 | -164.5 | -173.9 | 156.9 | 0 | 0 | 111.9 | S753 T754 R760 K761 | S753-E757 PolarHBondContact O-N 3Å; T754-E757 PolarHBondContact O-N 2.88Å; E757-R760 PolarHBondContact O-N 3.45Å; E757-K761 HydrophobicContact CG-CD 4.48Å; E757-K761 WeakPolarHBondContact O-CG 3.48Å; E757-K761 PolarHBondContact O-N 2.94Å; E757-K761 WeakPolarHBondContact OE1-CE 3.42Å; E757-K761 IonicContact OE1-NZ 3.65Å; E757-K761 PolarHBondContact OE1-NZ 3.42Å |
| 758 | K | 80.6 | Confident | 80.6 | Confident | 132 Ų | 132 | 102 Ų | 102 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 172.2 | -76.5 | 175.5 | 177.9 | -179.1 | 0 | 111.8 | T754 D755 R760 K761 L762 | T754-K758 HydrophobicContact CG2-CD 4.45Å; T754-K758 WeakPolarHBondContact O-CB 3.18Å; T754-K758 WeakPolarHBondContact O-CG 3.35Å; T754-K758 PolarHBondContact O-N 3.34Å; D755-K758 PolarHBondContact O-N 3.01Å; K758-R760 VanDerWaalsContact C-N 3.34Å; K758-R760 PolarHBondContact O-N 3.22Å; K758-K761 PolarHBondContact O-N 3.43Å; K758-L762 WeakPolarHBondContact O-CB 3.2Å; K758-L762 PolarHBondContact O-N 3.39Å |
| 759 | S | 79.5 | Confident | 80.5 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.1 | D755 Q756 L762 H763 | D755-S759 VanDerWaalsContact O-CB 3.28Å; D755-S759 WeakPolarHBondContact O-CB 3.32Å; D755-S759 PolarHBondContact O-N 3.15Å; D755-S759 PolarHBondContact O-OG 3.46Å; Q756-S759 PolarHBondContact O-N 2.91Å; S759-L762 PolarHBondContact O-N 2.77Å; S759-H763 PolarHBondContact O-N 3.5Å |
| 760 | R | 82.9 | Confident | 80.5 | Confident | 165 Ų | 165 | 102.6 Ų | 102.6 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -46.7 | 173.9 | -175.4 | -172.8 | 144.9 | -162.7 | -13.8 | 111.8 | Q756 E757 K758 L762 H763 E764 | Q756-R760 WeakPolarHBondContact O-CB 3.41Å; Q756-R760 PolarHBondContact O-N 3.21Å; E757-R760 PolarHBondContact O-N 3.45Å; K758-R760 VanDerWaalsContact C-N 3.34Å; K758-R760 PolarHBondContact O-N 3.22Å; R760-L762 VanDerWaalsContact C-N 3.3Å; R760-L762 PolarHBondContact O-N 2.87Å; R760-H763 PolarHBondContact O-N 3Å; R760-E764 IonicContact CZ-OE1 3.01Å; R760-E764 IonicContact NE-OE1 2.69Å; R760-E764 PolarHBondContact NE-OE1 3.06Å; R760-E764 IonicContact NH2-OE1 3.91Å; R760-E764 PolarHBondContact NH2-OE1 2.99Å; R760-E764 WeakPolarHBondContact O-CG 3.34Å; R760-E764 PolarHBondContact O-N 3.37Å |
| 761 | K | 80.6 | Confident | 80.4 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 176.3 | -74.8 | 171.6 | -175.4 | 170 | 0 | 112.1 | E757 K758 E764 L765 | E757-K761 HydrophobicContact CG-CD 4.48Å; E757-K761 WeakPolarHBondContact O-CG 3.48Å; E757-K761 PolarHBondContact O-N 2.94Å; E757-K761 WeakPolarHBondContact OE1-CE 3.42Å; E757-K761 IonicContact OE1-NZ 3.65Å; E757-K761 PolarHBondContact OE1-NZ 3.42Å; K758-K761 PolarHBondContact O-N 3.43Å; K761-E764 PolarHBondContact O-N 3.01Å; K761-L765 WeakPolarHBondContact O-CB 3.31Å; K761-L765 VanDerWaalsContact O-CG 3.27Å; K761-L765 WeakPolarHBondContact O-CG 3.45Å; K761-L765 PolarHBondContact O-N 2.76Å |
| 762 | L | 77.4 | Confident | 80.2 | Confident | 112 Ų | 112 | 108.2 Ų | 108.2 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 173.1 | -178.1 | 62.3 | 0 | 0 | 0 | 110.7 | K758 S759 R760 L765 T766 | K758-L762 WeakPolarHBondContact O-CB 3.2Å; K758-L762 PolarHBondContact O-N 3.39Å; S759-L762 PolarHBondContact O-N 2.77Å; R760-L762 VanDerWaalsContact C-N 3.3Å; R760-L762 PolarHBondContact O-N 2.87Å; L762-L765 PolarHBondContact O-N 3.5Å; L762-T766 PolarHBondContact O-N 3.28Å; L762-T766 PolarHBondContact O-OG1 2.73Å; L762-T766 VanDerWaalsContact O-OG1 3.06Å |
| 763 | H | 83.4 | Confident | 79.9 | Confident | 126 Ų | 126 | 108.4 Ų | 108.4 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 176.6 | -174.5 | 68.5 | 0 | 0 | 0 | 112.9 | S759 R760 L765 T766 V767 | S759-H763 PolarHBondContact O-N 3.5Å; R760-H763 PolarHBondContact O-N 3Å; H763-L765 VanDerWaalsContact C-N 3.3Å; H763-L765 PolarHBondContact O-N 2.78Å; H763-T766 PolarHBondContact O-N 3.34Å; H763-V767 WeakPolarHBondContact O-CG2 3.29Å; H763-V767 PolarHBondContact O-N 3.34Å |
| 764 | E | 81.1 | Confident | 80 | Confident | 89 Ų | 89 | 109.9 Ų | 109.9 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 173.6 | -72.8 | 174.8 | -171.7 | 0 | 0 | 111.8 | R760 K761 M768 | R760-E764 IonicContact CZ-OE1 3.01Å; R760-E764 IonicContact NE-OE1 2.69Å; R760-E764 PolarHBondContact NE-OE1 3.06Å; R760-E764 IonicContact NH2-OE1 3.91Å; R760-E764 PolarHBondContact NH2-OE1 2.99Å; R760-E764 WeakPolarHBondContact O-CG 3.34Å; R760-E764 PolarHBondContact O-N 3.37Å; K761-E764 PolarHBondContact O-N 3.01Å; E764-M768 PolarHBondContact O-N 3.01Å; E764-M768 VanDerWaalsContact O-N 3.08Å |
| 765 | L | 78.5 | Confident | 79.8 | Confident | 112 Ų | 112 | 108.9 Ų | 108.9 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | 175.2 | -73.4 | 169.7 | 0 | 0 | 0 | 112.9 | K761 L762 H763 M768 Q769 | K761-L765 WeakPolarHBondContact O-CB 3.31Å; K761-L765 VanDerWaalsContact O-CG 3.27Å; K761-L765 WeakPolarHBondContact O-CG 3.45Å; K761-L765 PolarHBondContact O-N 2.76Å; L762-L765 PolarHBondContact O-N 3.5Å; H763-L765 VanDerWaalsContact C-N 3.3Å; H763-L765 PolarHBondContact O-N 2.78Å; L765-M768 PolarHBondContact O-N 2.93Å; L765-Q769 WeakPolarHBondContact O-CB 3.35Å; L765-Q769 PolarHBondContact O-N 3.48Å |
| 766 | T | 81.1 | Confident | 79.6 | Confident | 56 Ų | 56 | 111.9 Ų | 111.9 | 34% | 0.344 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | L762 H763 M768 Q769 D770 | L762-T766 PolarHBondContact O-N 3.28Å; L762-T766 PolarHBondContact O-OG1 2.73Å; L762-T766 VanDerWaalsContact O-OG1 3.06Å; H763-T766 PolarHBondContact O-N 3.34Å; T766-M768 VanDerWaalsContact C-N 3.26Å; T766-M768 PolarHBondContact O-N 2.83Å; T766-Q769 CarbonylContact O-C 3.51Å; T766-Q769 WeakPolarHBondContact O-CA 3.49Å; T766-Q769 WeakPolarHBondContact O-CB 3.23Å; T766-Q769 PolarHBondContact O-N 3.36Å; T766-D770 VanDerWaalsContact O-CG 3.29Å; T766-D770 PolarHBondContact O-N 2.85Å |
| 767 | V | 83.6 | Confident | 79.5 | Confident | 52 Ų | 52 | 112.1 Ų | 112.1 | 32% | 0.315 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -32 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 112 | H763 R771 | H763-V767 WeakPolarHBondContact O-CG2 3.29Å; H763-V767 PolarHBondContact O-N 3.34Å; V767-R771 WeakPolarHBondContact O-CB 3.41Å; V767-R771 VanDerWaalsContact O-CG 3.25Å; V767-R771 WeakPolarHBondContact O-CG 3.47Å; V767-R771 PolarHBondContact O-N 2.95Å |
| 768 | M | 77.5 | Confident | 79.1 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 61% | 0.606 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.6 | -35.4 | 170 | -79.8 | -157.9 | 173.5 | 0 | 0 | 113.4 | E764 L765 T766 R772 | E764-M768 PolarHBondContact O-N 3.01Å; E764-M768 VanDerWaalsContact O-N 3.08Å; L765-M768 PolarHBondContact O-N 2.93Å; T766-M768 VanDerWaalsContact C-N 3.26Å; T766-M768 PolarHBondContact O-N 2.83Å; M768-R772 WeakPolarHBondContact O-CG 3.41Å; M768-R772 PolarHBondContact O-N 3.4Å; M768-R772 VanDerWaalsContact O-N 3.11Å |
| 769 | Q | 78.5 | Confident | 79 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -46.6 | 175.8 | -179.1 | 172.4 | -16.5 | 0 | 0 | 111.1 | L765 T766 R771 R772 E773 | L765-Q769 WeakPolarHBondContact O-CB 3.35Å; L765-Q769 PolarHBondContact O-N 3.48Å; T766-Q769 CarbonylContact O-C 3.51Å; T766-Q769 WeakPolarHBondContact O-CA 3.49Å; T766-Q769 WeakPolarHBondContact O-CB 3.23Å; T766-Q769 PolarHBondContact O-N 3.36Å; Q769-R771 VanDerWaalsContact C-N 3.32Å; Q769-R771 PolarHBondContact O-N 3.33Å; Q769-R772 WeakPolarHBondContact O-CA 3.3Å; Q769-R772 WeakPolarHBondContact O-CB 3.41Å; Q769-R772 PolarHBondContact O-N 3.4Å; Q769-E773 PolarHBondContact O-N 2.75Å |
| 770 | D | 81.6 | Confident | 78.9 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 177.4 | -63.5 | -25.6 | 0 | 0 | 0 | 111.3 | T766 R772 E773 Q774 | T766-D770 VanDerWaalsContact O-CG 3.29Å; T766-D770 PolarHBondContact O-N 2.85Å; D770-R772 VanDerWaalsContact C-N 3.33Å; D770-R772 PolarHBondContact O-N 2.92Å; D770-E773 PolarHBondContact O-N 2.89Å; D770-Q774 WeakPolarHBondContact O-CB 3.43Å; D770-Q774 PolarHBondContact O-N 3.38Å |
| 771 | R | 79.8 | Confident | 78.6 | Confident | 188 Ų | 188 | 106.9 Ų | 106.9 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 173.9 | -75.4 | 175.6 | 179.1 | -163.4 | 0.7 | 113.2 | V767 Q769 A775 | V767-R771 WeakPolarHBondContact O-CB 3.41Å; V767-R771 VanDerWaalsContact O-CG 3.25Å; V767-R771 WeakPolarHBondContact O-CG 3.47Å; V767-R771 PolarHBondContact O-N 2.95Å; Q769-R771 VanDerWaalsContact C-N 3.32Å; Q769-R771 PolarHBondContact O-N 3.33Å; R771-A775 WeakPolarHBondContact O-CB 3.39Å; R771-A775 PolarHBondContact O-N 2.89Å; R771-A775 VanDerWaalsContact O-N 3.11Å |
| 772 | R | 74.6 | Confident | 78.3 | Confident | 192 Ų | 192 | 107 Ų | 107 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.6 | -40.7 | 174.8 | -77.9 | 175 | 175 | -174.5 | 0.3 | 111.7 | M768 Q769 D770 A775 R776 | M768-R772 WeakPolarHBondContact O-CG 3.41Å; M768-R772 PolarHBondContact O-N 3.4Å; M768-R772 VanDerWaalsContact O-N 3.11Å; Q769-R772 WeakPolarHBondContact O-CA 3.3Å; Q769-R772 WeakPolarHBondContact O-CB 3.41Å; Q769-R772 PolarHBondContact O-N 3.4Å; D770-R772 VanDerWaalsContact C-N 3.33Å; D770-R772 PolarHBondContact O-N 2.92Å; R772-A775 PolarHBondContact O-N 2.63Å; R772-R776 WeakPolarHBondContact O-CB 3.41Å; R772-R776 PolarHBondContact O-N 2.78Å |
| 773 | E | 75.4 | Confident | 78.2 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.8 | -35.7 | -179.9 | -157.7 | 60 | -150.2 | 0 | 0 | 111.4 | Q769 D770 R776 Q777 | Q769-E773 PolarHBondContact O-N 2.75Å; D770-E773 PolarHBondContact O-N 2.89Å; E773-R776 WeakPolarHBondContact O-CB 3.39Å; E773-R776 PolarHBondContact O-N 3.15Å; E773-R776 IonicContact OE2-NH1 3.28Å; E773-Q777 WeakPolarHBondContact O-CG 3.24Å; E773-Q777 PolarHBondContact O-N 3.25Å |
| 774 | Q | 79.9 | Confident | 78 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -53.3 | 168.7 | -176 | 62.6 | 57.7 | 0 | 0 | 111.1 | D770 R776 Q777 D778 | D770-Q774 WeakPolarHBondContact O-CB 3.43Å; D770-Q774 PolarHBondContact O-N 3.38Å; Q774-R776 PolarHBondContact O-N 2.95Å; Q774-R776 VanDerWaalsContact O-N 3.15Å; Q774-Q777 WeakPolarHBondContact O-CA 3.4Å; Q774-Q777 WeakPolarHBondContact O-CB 3.43Å; Q774-Q777 PolarHBondContact O-N 3Å; Q774-D778 PolarHBondContact NE2-OD1 3.2Å; Q774-D778 PolarHBondContact O-N 2.94Å |
| 775 | A | 76.2 | Confident | 77.9 | Confident | 47 Ų | 47 | 105.4 Ų | 105.4 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R771 R772 L779 | R771-A775 WeakPolarHBondContact O-CB 3.39Å; R771-A775 PolarHBondContact O-N 2.89Å; R771-A775 VanDerWaalsContact O-N 3.11Å; R772-A775 PolarHBondContact O-N 2.63Å; A775-L779 WeakPolarHBondContact O-CB 3.28Å; A775-L779 VanDerWaalsContact O-CG 3.27Å; A775-L779 WeakPolarHBondContact O-CG 3.42Å; A775-L779 PolarHBondContact O-N 3.15Å |
| 776 | R | 76.2 | Confident | 77.9 | Confident | 163 Ų | 163 | 103.7 Ų | 103.7 | 62% | 0.615 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.3 | -38.5 | 173.4 | -168.4 | -176.5 | -168.1 | 175.3 | 3.8 | 112.7 | R772 E773 Q774 K780 | R772-R776 WeakPolarHBondContact O-CB 3.41Å; R772-R776 PolarHBondContact O-N 2.78Å; E773-R776 WeakPolarHBondContact O-CB 3.39Å; E773-R776 PolarHBondContact O-N 3.15Å; E773-R776 IonicContact OE2-NH1 3.28Å; Q774-R776 PolarHBondContact O-N 2.95Å; Q774-R776 VanDerWaalsContact O-N 3.15Å; R776-K780 WeakPolarHBondContact O-CB 3.45Å; R776-K780 PolarHBondContact O-N 3.28Å |
| 777 | Q | 78.1 | Confident | 77.6 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 172.5 | -71.2 | -179 | 35.5 | 0 | 0 | 111.4 | E773 Q774 K780 G781 | E773-Q777 WeakPolarHBondContact O-CG 3.24Å; E773-Q777 PolarHBondContact O-N 3.25Å; Q774-Q777 WeakPolarHBondContact O-CA 3.4Å; Q774-Q777 WeakPolarHBondContact O-CB 3.43Å; Q774-Q777 PolarHBondContact O-N 3Å; Q777-K780 PolarHBondContact O-N 3.41Å; Q777-G781 PolarHBondContact O-N 3.13Å |
| 778 | D | 75.6 | Confident | 77.4 | Confident | 93 Ų | 93 | 106.8 Ų | 106.8 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 176.3 | -58.5 | -25.2 | 0 | 0 | 0 | 110.9 | Q774 G781 L782 | Q774-D778 PolarHBondContact NE2-OD1 3.2Å; Q774-D778 PolarHBondContact O-N 2.94Å; D778-G781 PolarHBondContact O-N 2.94Å; D778-L782 PolarHBondContact O-N 3.43Å |
| 779 | L | 76.5 | Confident | 77.4 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.9 | -43.8 | 172.6 | -79.9 | 167.7 | 0 | 0 | 0 | 112.1 | A775 G781 L782 E783 | A775-L779 WeakPolarHBondContact O-CB 3.28Å; A775-L779 VanDerWaalsContact O-CG 3.27Å; A775-L779 WeakPolarHBondContact O-CG 3.42Å; A775-L779 PolarHBondContact O-N 3.15Å; L779-G781 VanDerWaalsContact C-N 3.34Å; L779-G781 PolarHBondContact O-N 3.49Å; L779-L782 CarbonylContact O-C 3.56Å; L779-L782 WeakPolarHBondContact O-CB 3.39Å; L779-L782 PolarHBondContact O-N 3.38Å; L779-L782 VanDerWaalsContact O-N 3.16Å; L779-E783 WeakPolarHBondContact O-CG 3.02Å; L779-E783 PolarHBondContact O-N 3.07Å |
| 780 | K | 77.8 | Confident | 77.3 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.4 | -173.8 | 176.2 | -179 | -80.8 | 0 | 112.1 | R776 Q777 L782 E783 E784 | R776-K780 WeakPolarHBondContact O-CB 3.45Å; R776-K780 PolarHBondContact O-N 3.28Å; Q777-K780 PolarHBondContact O-N 3.41Å; K780-L782 VanDerWaalsContact C-N 3.31Å; K780-L782 PolarHBondContact O-N 2.98Å; K780-E783 PolarHBondContact O-N 3.01Å; K780-E784 IonicContact NZ-OE1 3.98Å; K780-E784 PolarHBondContact NZ-OE1 3.11Å; K780-E784 WeakPolarHBondContact O-CB 3.19Å; K780-E784 WeakPolarHBondContact O-CG 3.34Å; K780-E784 PolarHBondContact O-N 3.43Å |
| 781 | G | 76.8 | Confident | 77.1 | Confident | 34 Ų | 34 | 106.1 Ų | 106.1 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q777 D778 L779 T785 | Q777-G781 PolarHBondContact O-N 3.13Å; D778-G781 PolarHBondContact O-N 2.94Å; L779-G781 VanDerWaalsContact C-N 3.34Å; L779-G781 PolarHBondContact O-N 3.49Å; G781-T785 WeakPolarHBondContact O-CB 3.19Å; G781-T785 PolarHBondContact O-N 3.09Å; G781-T785 VanDerWaalsContact O-N 3.08Å; G781-T785 PolarHBondContact O-OG1 3.27Å |
| 782 | L | 75.8 | Confident | 77.1 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.6 | -44.2 | 172.6 | -171 | 65.4 | 0 | 0 | 0 | 112 | D778 L779 K780 E784 T785 V786 | D778-L782 PolarHBondContact O-N 3.43Å; L779-L782 CarbonylContact O-C 3.56Å; L779-L782 WeakPolarHBondContact O-CB 3.39Å; L779-L782 PolarHBondContact O-N 3.38Å; L779-L782 VanDerWaalsContact O-N 3.16Å; K780-L782 VanDerWaalsContact C-N 3.31Å; K780-L782 PolarHBondContact O-N 2.98Å; L782-E784 PolarHBondContact O-N 3.13Å; L782-T785 WeakPolarHBondContact O-CB 3.48Å; L782-T785 PolarHBondContact O-N 2.96Å; L782-T785 VanDerWaalsContact O-N 3.14Å; L782-V786 WeakPolarHBondContact O-CG2 3.13Å; L782-V786 PolarHBondContact O-N 3.48Å |
| 783 | E | 74.3 | Confident | 77.2 | Confident | 137 Ų | 137 | 96.3 Ų | 96.3 | 64% | 0.64 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.9 | -45.6 | 174.5 | -73.6 | -179.8 | 158.2 | 0 | 0 | 112 | L779 K780 T785 V786 A787 | L779-E783 WeakPolarHBondContact O-CG 3.02Å; L779-E783 PolarHBondContact O-N 3.07Å; K780-E783 PolarHBondContact O-N 3.01Å; E783-T785 VanDerWaalsContact C-N 3.26Å; E783-T785 PolarHBondContact O-N 3.27Å; E783-V786 PolarHBondContact O-N 3.01Å; E783-A787 VanDerWaalsContact O-CB 3.29Å; E783-A787 WeakPolarHBondContact O-CB 3.21Å; E783-A787 PolarHBondContact O-N 3.05Å |
| 784 | E | 79 | Confident | 77.2 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -31.1 | 175.5 | -75.9 | -175.5 | -153 | 0 | 0 | 112.6 | K780 L782 K788 | K780-E784 IonicContact NZ-OE1 3.98Å; K780-E784 PolarHBondContact NZ-OE1 3.11Å; K780-E784 WeakPolarHBondContact O-CB 3.19Å; K780-E784 WeakPolarHBondContact O-CG 3.34Å; K780-E784 PolarHBondContact O-N 3.43Å; L782-E784 PolarHBondContact O-N 3.13Å; E784-K788 VanDerWaalsContact O-CD 3.25Å; E784-K788 WeakPolarHBondContact O-CD 3.47Å; E784-K788 WeakPolarHBondContact O-CG 3.38Å; E784-K788 PolarHBondContact O-N 3.25Å; E784-K788 VanDerWaalsContact O-N 3.1Å; E784-K788 IonicContact OE2-NZ 2.68Å |
| 785 | T | 78.8 | Confident | 77.1 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73 | -47.1 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | G781 L782 E783 A787 K788 E789 | G781-T785 WeakPolarHBondContact O-CB 3.19Å; G781-T785 PolarHBondContact O-N 3.09Å; G781-T785 VanDerWaalsContact O-N 3.08Å; G781-T785 PolarHBondContact O-OG1 3.27Å; L782-T785 WeakPolarHBondContact O-CB 3.48Å; L782-T785 PolarHBondContact O-N 2.96Å; L782-T785 VanDerWaalsContact O-N 3.14Å; E783-T785 VanDerWaalsContact C-N 3.26Å; E783-T785 PolarHBondContact O-N 3.27Å; T785-A787 VanDerWaalsContact C-N 3.28Å; T785-A787 PolarHBondContact O-N 2.96Å; T785-K788 PolarHBondContact O-N 2.71Å; T785-K788 VanDerWaalsContact O-N 3.13Å; T785-E789 PolarHBondContact O-N 2.95Å |
| 786 | V | 78.4 | Confident | 77.2 | Confident | 76 Ų | 76 | 98.9 Ų | 98.9 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111 | L782 E783 E789 L790 | L782-V786 WeakPolarHBondContact O-CG2 3.13Å; L782-V786 PolarHBondContact O-N 3.48Å; E783-V786 PolarHBondContact O-N 3.01Å; V786-E789 PolarHBondContact O-N 3.07Å; V786-L790 HydrophobicContact CG1-CD1 3.86Å; V786-L790 HydrophobicContact CG1-CG 4.31Å; V786-L790 WeakPolarHBondContact O-CB 3.32Å; V786-L790 VanDerWaalsContact O-CG 3.26Å; V786-L790 WeakPolarHBondContact O-CG 3.42Å; V786-L790 PolarHBondContact O-N 3.17Å |
| 787 | A | 75.1 | Confident | 77.1 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E783 T785 L790 Q791 | E783-A787 VanDerWaalsContact O-CB 3.29Å; E783-A787 WeakPolarHBondContact O-CB 3.21Å; E783-A787 PolarHBondContact O-N 3.05Å; T785-A787 VanDerWaalsContact C-N 3.28Å; T785-A787 PolarHBondContact O-N 2.96Å; A787-L790 PolarHBondContact O-N 3.12Å; A787-Q791 VanDerWaalsContact O-CB 3.28Å; A787-Q791 WeakPolarHBondContact O-CB 3.28Å; A787-Q791 PolarHBondContact O-N 3.08Å |
| 788 | K | 79.3 | Confident | 77.1 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.517 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 174.6 | -72.8 | 158.8 | -167.6 | 155.2 | 0 | 111.7 | E784 T785 Q791 T792 | E784-K788 VanDerWaalsContact O-CD 3.25Å; E784-K788 WeakPolarHBondContact O-CD 3.47Å; E784-K788 WeakPolarHBondContact O-CG 3.38Å; E784-K788 PolarHBondContact O-N 3.25Å; E784-K788 VanDerWaalsContact O-N 3.1Å; E784-K788 IonicContact OE2-NZ 2.68Å; T785-K788 PolarHBondContact O-N 2.71Å; T785-K788 VanDerWaalsContact O-N 3.13Å; K788-Q791 PolarHBondContact O-N 3.45Å; K788-T792 WeakPolarHBondContact O-CB 3.45Å; K788-T792 PolarHBondContact O-N 3.24Å; K788-T792 PolarHBondContact O-OG1 3.1Å |
| 789 | E | 78.4 | Confident | 77.1 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 175.1 | -71.7 | -55.9 | 143.6 | 0 | 0 | 112.1 | T785 V786 Q791 T792 L793 | T785-E789 PolarHBondContact O-N 2.95Å; V786-E789 PolarHBondContact O-N 3.07Å; E789-Q791 PolarHBondContact O-N 3.49Å; E789-T792 PolarHBondContact O-N 3.43Å; E789-L793 WeakPolarHBondContact O-CB 3.42Å; E789-L793 PolarHBondContact O-N 3.45Å |
| 790 | L | 76.5 | Confident | 77.1 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -39.7 | 174.5 | -74.6 | 171.7 | 0 | 0 | 0 | 112.3 | V786 A787 T792 L793 H794 | V786-L790 HydrophobicContact CG1-CD1 3.86Å; V786-L790 HydrophobicContact CG1-CG 4.31Å; V786-L790 WeakPolarHBondContact O-CB 3.32Å; V786-L790 VanDerWaalsContact O-CG 3.26Å; V786-L790 WeakPolarHBondContact O-CG 3.42Å; V786-L790 PolarHBondContact O-N 3.17Å; A787-L790 PolarHBondContact O-N 3.12Å; L790-T792 VanDerWaalsContact C-N 3.32Å; L790-L793 PolarHBondContact O-N 3.45Å; L790-H794 WeakPolarHBondContact O-CB 3.27Å; L790-H794 PolarHBondContact O-N 3.06Å |
| 791 | Q | 77 | Confident | 76.9 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 174.2 | -168 | 67.3 | 22.3 | 0 | 0 | 111.3 | A787 K788 E789 H794 N795 | A787-Q791 VanDerWaalsContact O-CB 3.28Å; A787-Q791 WeakPolarHBondContact O-CB 3.28Å; A787-Q791 PolarHBondContact O-N 3.08Å; K788-Q791 PolarHBondContact O-N 3.45Å; E789-Q791 PolarHBondContact O-N 3.49Å; Q791-H794 PolarHBondContact O-N 2.87Å; Q791-N795 WeakPolarHBondContact O-CB 3.49Å; Q791-N795 PolarHBondContact O-N 3.3Å; Q791-N795 PolarHBondContact O-ND2 2.95Å |
| 792 | T | 78.9 | Confident | 76.8 | Confident | 67 Ų | 67 | 103.7 Ų | 103.7 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -44.3 | 176.8 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | K788 E789 L790 H794 N795 L796 | K788-T792 WeakPolarHBondContact O-CB 3.45Å; K788-T792 PolarHBondContact O-N 3.24Å; K788-T792 PolarHBondContact O-OG1 3.1Å; E789-T792 PolarHBondContact O-N 3.43Å; L790-T792 VanDerWaalsContact C-N 3.32Å; T792-H794 VanDerWaalsContact C-N 3.33Å; T792-H794 PolarHBondContact O-N 3.13Å; T792-N795 PolarHBondContact O-N 3.44Å; T792-L796 HydrophobicContact CG2-CD1 4.14Å; T792-L796 WeakPolarHBondContact O-CB 3.44Å; T792-L796 VanDerWaalsContact O-CG 3.3Å; T792-L796 WeakPolarHBondContact O-CG 3.4Å; T792-L796 PolarHBondContact O-N 3.07Å |
| 793 | L | 76.8 | Confident | 76.8 | Confident | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -39.5 | 169.9 | -86.7 | 163.4 | 0 | 0 | 0 | 112.4 | E789 L790 R797 | E789-L793 WeakPolarHBondContact O-CB 3.42Å; E789-L793 PolarHBondContact O-N 3.45Å; L790-L793 PolarHBondContact O-N 3.45Å; L793-R797 VanDerWaalsContact O-CB 3.23Å; L793-R797 WeakPolarHBondContact O-CB 3.49Å; L793-R797 PolarHBondContact O-N 3.47Å |
| 794 | H | 75.9 | Confident | 76.7 | Confident | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.9 | -174.4 | 99.4 | 0 | 0 | 0 | 111.4 | L790 Q791 T792 R797 K798 | L790-H794 WeakPolarHBondContact O-CB 3.27Å; L790-H794 PolarHBondContact O-N 3.06Å; Q791-H794 PolarHBondContact O-N 2.87Å; T792-H794 VanDerWaalsContact C-N 3.33Å; T792-H794 PolarHBondContact O-N 3.13Å; H794-R797 PolarHBondContact O-N 3.29Å; H794-K798 WeakPolarHBondContact O-CB 3.35Å; H794-K798 PolarHBondContact O-N 3.34Å |
| 795 | N | 78.7 | Confident | 76.2 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.1 | -72.8 | -24 | 0 | 0 | 0 | 111.8 | Q791 T792 K798 L799 | Q791-N795 WeakPolarHBondContact O-CB 3.49Å; Q791-N795 PolarHBondContact O-N 3.3Å; Q791-N795 PolarHBondContact O-ND2 2.95Å; T792-N795 PolarHBondContact O-N 3.44Å; N795-K798 PolarHBondContact O-N 3.04Å; N795-L799 WeakPolarHBondContact O-CB 3.41Å; N795-L799 WeakPolarHBondContact O-CG 3.4Å; N795-L799 PolarHBondContact O-N 3.4Å |
| 796 | L | 76.9 | Confident | 75.9 | Confident | 102 Ų | 102 | 98.9 Ų | 98.9 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.6 | -73.6 | 170.1 | 0 | 0 | 0 | 111.7 | T792 L799 F800 | T792-L796 HydrophobicContact CG2-CD1 4.14Å; T792-L796 WeakPolarHBondContact O-CB 3.44Å; T792-L796 VanDerWaalsContact O-CG 3.3Å; T792-L796 WeakPolarHBondContact O-CG 3.4Å; T792-L796 PolarHBondContact O-N 3.07Å; L796-L799 PolarHBondContact O-N 3.35Å; L796-F800 VanDerWaalsContact O-CB 3.29Å; L796-F800 WeakPolarHBondContact O-CB 3.43Å; L796-F800 PolarHBondContact O-N 2.98Å |
| 797 | R | 75.5 | Confident | 75.4 | Confident | 185 Ų | 185 | 101.1 Ų | 101.1 | 70% | 0.698 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 173.3 | -180 | 179.3 | 174.2 | -173 | -2.1 | 111.5 | L793 H794 F800 V801 | L793-R797 VanDerWaalsContact O-CB 3.23Å; L793-R797 WeakPolarHBondContact O-CB 3.49Å; L793-R797 PolarHBondContact O-N 3.47Å; H794-R797 PolarHBondContact O-N 3.29Å; R797-F800 PolarHBondContact O-N 3.31Å; R797-V801 WeakPolarHBondContact O-CB 3.49Å; R797-V801 VanDerWaalsContact O-CG2 3.29Å; R797-V801 WeakPolarHBondContact O-CG2 3.26Å; R797-V801 PolarHBondContact O-N 3.04Å |
| 798 | K | 76.3 | Confident | 74.9 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 53% | 0.53 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.2 | -175.4 | 177.5 | 179 | -179.8 | 0 | 111.3 | H794 N795 V801 Q802 | H794-K798 WeakPolarHBondContact O-CB 3.35Å; H794-K798 PolarHBondContact O-N 3.34Å; N795-K798 PolarHBondContact O-N 3.04Å; K798-V801 PolarHBondContact O-N 3.16Å; K798-Q802 WeakPolarHBondContact O-CB 3.4Å; K798-Q802 WeakPolarHBondContact O-CG 3.49Å; K798-Q802 PolarHBondContact O-N 3.48Å |
| 799 | L | 77.1 | Confident | 74 | Confident | 104 Ų | 104 | 103.4 Ų | 103.4 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 173.4 | -73.1 | 169.2 | 0 | 0 | 0 | 111.6 | N795 L796 V801 Q802 D803 | N795-L799 WeakPolarHBondContact O-CB 3.41Å; N795-L799 WeakPolarHBondContact O-CG 3.4Å; N795-L799 PolarHBondContact O-N 3.4Å; L796-L799 PolarHBondContact O-N 3.35Å; L799-V801 PolarHBondContact O-N 2.84Å; L799-Q802 PolarHBondContact O-N 3.21Å; L799-D803 VanDerWaalsContact O-CB 3.22Å; L799-D803 WeakPolarHBondContact O-CB 3.44Å; L799-D803 PolarHBondContact O-N 2.96Å |
| 800 | F | 76.3 | Confident | 73 | Confident | 129 Ų | 129 | 105.5 Ų | 105.5 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 178 | -166.9 | -90.5 | 0 | 0 | 0 | 112.1 | L796 R797 D803 L804 | L796-F800 VanDerWaalsContact O-CB 3.29Å; L796-F800 WeakPolarHBondContact O-CB 3.43Å; L796-F800 PolarHBondContact O-N 2.98Å; R797-F800 PolarHBondContact O-N 3.31Å; F800-D803 PolarHBondContact O-N 2.88Å; F800-L804 WeakPolarHBondContact O-CB 3.43Å; F800-L804 PolarHBondContact O-N 3.49Å |
| 801 | V | 74.2 | Confident | 71.8 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 173.5 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | R797 K798 L799 A805 | R797-V801 WeakPolarHBondContact O-CB 3.49Å; R797-V801 VanDerWaalsContact O-CG2 3.29Å; R797-V801 WeakPolarHBondContact O-CG2 3.26Å; R797-V801 PolarHBondContact O-N 3.04Å; K798-V801 PolarHBondContact O-N 3.16Å; L799-V801 PolarHBondContact O-N 2.84Å; V801-A805 WeakPolarHBondContact O-CB 3.33Å; V801-A805 PolarHBondContact O-N 3.34Å |
| 802 | Q | 74.3 | Confident | 70.6 | Confident | 109 Ų | 109 | 103.4 Ų | 103.4 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 173.8 | -74.8 | -178.3 | -59.8 | 0 | 0 | 112.6 | K798 L799 A805 T806 | K798-Q802 WeakPolarHBondContact O-CB 3.4Å; K798-Q802 WeakPolarHBondContact O-CG 3.49Å; K798-Q802 PolarHBondContact O-N 3.48Å; L799-Q802 PolarHBondContact O-N 3.21Å; Q802-A805 PolarHBondContact O-N 3.48Å; Q802-T806 WeakPolarHBondContact O-CG2 3.46Å; Q802-T806 PolarHBondContact O-N 3.36Å; Q802-T806 PolarHBondContact O-OG1 3.24Å |
| 803 | D | 75.6 | Confident | 69 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 38% | 0.38 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 177.2 | -173.5 | 34.6 | 0 | 0 | 0 | 111.7 | L799 F800 T806 R807 | L799-D803 VanDerWaalsContact O-CB 3.22Å; L799-D803 WeakPolarHBondContact O-CB 3.44Å; L799-D803 PolarHBondContact O-N 2.96Å; F800-D803 PolarHBondContact O-N 2.88Å; D803-T806 WeakPolarHBondContact CA-OG1 3.48Å; D803-T806 PolarHBondContact O-OG1 3.46Å; D803-R807 VanDerWaalsContact CG-CZ 3.48Å; D803-R807 VanDerWaalsContact CG-NH2 3.28Å; D803-R807 WeakPolarHBondContact O-CB 3.39Å; D803-R807 WeakPolarHBondContact O-CG 3.35Å; D803-R807 PolarHBondContact O-N 3.46Å; D803-R807 IonicContact OD1-CZ 2.79Å; D803-R807 IonicContact OD1-NH1 3.26Å; D803-R807 PolarHBondContact OD1-NH1 3.39Å; D803-R807 IonicContact OD1-NH2 2.79Å; D803-R807 IonicContact OD2-CZ 2.65Å; D803-R807 IonicContact OD2-NH1 2.62Å; D803-R807 PolarHBondContact OD2-NH1 3.48Å; D803-R807 IonicContact OD2-NH2 2.6Å; D803-R807 PolarHBondContact OD2-NH2 3.32Å |
| 804 | L | 72.4 | Confident | 67.4 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.4 | -45.1 | 168.9 | -165.9 | 77.4 | 0 | 0 | 0 | 111.2 | F800 R807 V808 | F800-L804 WeakPolarHBondContact O-CB 3.43Å; F800-L804 PolarHBondContact O-N 3.49Å; L804-R807 PolarHBondContact O-N 3.45Å; L804-V808 WeakPolarHBondContact O-CB 3.49Å; L804-V808 VanDerWaalsContact O-CG2 3.3Å; L804-V808 WeakPolarHBondContact O-CG2 3.39Å; L804-V808 PolarHBondContact O-N 2.92Å |
| 805 | A | 68.8 | Low | 65.8 | Low | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.7 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V801 Q802 K809 | V801-A805 WeakPolarHBondContact O-CB 3.33Å; V801-A805 PolarHBondContact O-N 3.34Å; Q802-A805 PolarHBondContact O-N 3.48Å; A805-K809 VanDerWaalsContact O-CB 3.32Å; A805-K809 WeakPolarHBondContact O-CB 3.48Å; A805-K809 PolarHBondContact O-N 3.41Å |
| 806 | T | 71.6 | Confident | 63.7 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.1 | -31.3 | 174.3 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | Q802 D803 K810 | Q802-T806 WeakPolarHBondContact O-CG2 3.46Å; Q802-T806 PolarHBondContact O-N 3.36Å; Q802-T806 PolarHBondContact O-OG1 3.24Å; D803-T806 WeakPolarHBondContact CA-OG1 3.48Å; D803-T806 PolarHBondContact O-OG1 3.46Å; T806-K810 WeakPolarHBondContact O-CB 3.4Å; T806-K810 WeakPolarHBondContact O-CG 3.36Å; T806-K810 PolarHBondContact O-N 2.9Å |
| 807 | R | 68.2 | Low | 61.8 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -48.3 | 167.4 | -85.8 | -165.9 | -75.2 | -81.3 | -2.5 | 112.2 | D803 L804 K809 K810 S811 | D803-R807 VanDerWaalsContact CG-CZ 3.48Å; D803-R807 VanDerWaalsContact CG-NH2 3.28Å; D803-R807 WeakPolarHBondContact O-CB 3.39Å; D803-R807 WeakPolarHBondContact O-CG 3.35Å; D803-R807 PolarHBondContact O-N 3.46Å; D803-R807 IonicContact OD1-CZ 2.79Å; D803-R807 IonicContact OD1-NH1 3.26Å; D803-R807 PolarHBondContact OD1-NH1 3.39Å; D803-R807 IonicContact OD1-NH2 2.79Å; D803-R807 IonicContact OD2-CZ 2.65Å; D803-R807 IonicContact OD2-NH1 2.62Å; D803-R807 PolarHBondContact OD2-NH1 3.48Å; D803-R807 IonicContact OD2-NH2 2.6Å; D803-R807 PolarHBondContact OD2-NH2 3.32Å; L804-R807 PolarHBondContact O-N 3.45Å; R807-K809 VanDerWaalsContact C-N 3.28Å; R807-K809 PolarHBondContact O-N 2.94Å; R807-K810 PolarHBondContact O-N 3.18Å; R807-S811 PolarHBondContact O-N 3.38Å; R807-S811 PolarHBondContact O-OG 3.08Å; R807-S811 VanDerWaalsContact O-OG 3.1Å |
| 808 | V | 63.9 | Low | 60 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.5 | -39.3 | 176 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | L804 S811 A812 | L804-V808 WeakPolarHBondContact O-CB 3.49Å; L804-V808 VanDerWaalsContact O-CG2 3.3Å; L804-V808 WeakPolarHBondContact O-CG2 3.39Å; L804-V808 PolarHBondContact O-N 2.92Å; V808-S811 WeakPolarHBondContact CA-OG 3.34Å; V808-S811 PolarHBondContact O-OG 3.47Å; V808-A812 WeakPolarHBondContact O-CB 3.44Å; V808-A812 PolarHBondContact O-N 3.06Å |
| 809 | K | 61.3 | Low | 58.3 | Low | 132 Ų | 132 | 113.2 Ų | 113.2 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.6 | -41.7 | 175.4 | -165 | 176.2 | -178.3 | -172.7 | 0 | 112.5 | A805 R807 A812 E813 | A805-K809 VanDerWaalsContact O-CB 3.32Å; A805-K809 WeakPolarHBondContact O-CB 3.48Å; A805-K809 PolarHBondContact O-N 3.41Å; R807-K809 VanDerWaalsContact C-N 3.28Å; R807-K809 PolarHBondContact O-N 2.94Å; K809-A812 PolarHBondContact O-N 3.5Å; K809-E813 WeakPolarHBondContact CE-OE1 3.35Å; K809-E813 PolarHBondContact O-N 3.14Å |
| 810 | K | 57.5 | Low | 57 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.8 | -40.8 | 174.1 | -83 | -167.3 | 167 | -163.9 | 0 | 112.9 | T806 R807 A812 E813 M814 | T806-K810 WeakPolarHBondContact O-CB 3.4Å; T806-K810 WeakPolarHBondContact O-CG 3.36Å; T806-K810 PolarHBondContact O-N 2.9Å; R807-K810 PolarHBondContact O-N 3.18Å; K810-A812 PolarHBondContact O-N 3.42Å; K810-E813 PolarHBondContact O-N 3.04Å; K810-E813 VanDerWaalsContact O-N 3.1Å; K810-M814 PolarHBondContact O-N 3.38Å |
| 811 | S | 50.8 | Low | 55.5 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -5 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | R807 V808 | R807-S811 PolarHBondContact O-N 3.38Å; R807-S811 PolarHBondContact O-OG 3.08Å; R807-S811 VanDerWaalsContact O-OG 3.1Å; V808-S811 WeakPolarHBondContact CA-OG 3.34Å; V808-S811 PolarHBondContact O-OG 3.47Å |
| 812 | A | 50.8 | Low | 54.9 | Low | 83 Ų | 83 | 108 Ų | 108 | 69% | 0.686 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -5.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | V808 K809 K810 | V808-A812 WeakPolarHBondContact O-CB 3.44Å; V808-A812 PolarHBondContact O-N 3.06Å; K809-A812 PolarHBondContact O-N 3.5Å; K810-A812 PolarHBondContact O-N 3.42Å |
| 813 | E | 46.1 | Very low | 54 | Low | 137 Ų | 137 | 106.5 Ų | 106.5 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -4.8 | -174.6 | -72 | 175.5 | 175.4 | 0 | 0 | 113.5 | K809 K810 | K809-E813 WeakPolarHBondContact CE-OE1 3.35Å; K809-E813 PolarHBondContact O-N 3.14Å; K810-E813 PolarHBondContact O-N 3.04Å; K810-E813 VanDerWaalsContact O-N 3.1Å |
| 814 | M | 42.8 | Very low | 53.1 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 69% | 0.69 | 64% | 0.639 | S | S | * | * | trans | -142.6 | 88.2 | 177.5 | -66.7 | -166.3 | 72.9 | 0 | 0 | 114.2 | K810 S816 | K810-M814 PolarHBondContact O-N 3.38Å; M814-S816 PolarHBondContact O-N 3.17Å | ||
| 815 | D | 42.2 | Very low | 52.5 | Low | 175 Ų | 175 | 107.6 Ų | 107.6 | 94% | 0.936 | 64% | 0.643 | S | S | * | * | trans | -81.6 | 89.4 | 148.6 | -95.8 | -34 | 0 | 0 | 0 | 108.1 | ||||
| 816 | S | 36 | Very low | 52.1 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -162.4 | 144.3 | 164.5 | -41.5 | 0 | 0 | 0 | 0 | 111.5 | M814 | M814-S816 PolarHBondContact O-N 3.17Š| ||
| 817 | D | 36.6 | Very low | 51.8 | Low | 163 Ų | 163 | 116 Ų | 116 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | -55.3 | 146.7 | -173.1 | -56.1 | -60.5 | 0 | 0 | 0 | 117.8 | ||||
| 818 | D | 37.5 | Very low | 52 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | 125.8 | 152.5 | 119.5 | -155.6 | 32.9 | 0 | 0 | 0 | 119.7 | |||||
| 819 | T | 40.9 | Very low | 52.2 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | trans | 61.5 | 116.9 | 156 | 14.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 820 | G | 48.7 | Very low | 52.6 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | 90.6 | 63.4 | 119 | 0 | 0 | 0 | 0 | 0 | 119 | S822 | G820-S822 PolarHBondContact O-N 2.69Š| |||
| 821 | G | 46.2 | Very low | 53.3 | Low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | trans | -60.3 | 107.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 822 | S | 60.7 | Low | 54.5 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | trans | -61.1 | 152.5 | -176.1 | 175.1 | 0 | 0 | 0 | 0 | 114 | G820 A824 Q825 K826 | G820-S822 PolarHBondContact O-N 2.69Å; S822-A824 PolarHBondContact O-N 2.91Å; S822-A824 VanDerWaalsContact O-N 3.16Å; S822-Q825 WeakPolarHBondContact O-CA 3.36Å; S822-Q825 WeakPolarHBondContact O-CB 3.45Å; S822-Q825 PolarHBondContact O-N 2.94Å; S822-K826 PolarHBondContact O-N 3.21Å | ||
| 823 | A | 54.6 | Low | 55.5 | Low | 76 Ų | 76 | 115 Ų | 115 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -55.4 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q825 K826 Q827 | A823-Q825 PolarHBondContact O-N 2.59Å; A823-K826 PolarHBondContact O-N 3.11Å; A823-Q827 PolarHBondContact O-N 2.92Å |
| 824 | A | 58.1 | Low | 56.9 | Low | 65 Ų | 65 | 112.4 Ų | 112.4 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.8 | -30.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S822 K828 | S822-A824 PolarHBondContact O-N 2.91Å; S822-A824 VanDerWaalsContact O-N 3.16Å; A824-K828 WeakPolarHBondContact O-CB 3.34Å; A824-K828 PolarHBondContact O-N 3.14Å |
| 825 | Q | 58.9 | Low | 58.5 | Low | 118 Ų | 118 | 109.1 Ų | 109.1 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.5 | -39.3 | 177.1 | -158.8 | 171.3 | 3.5 | 0 | 0 | 111 | S822 A823 K828 I829 | S822-Q825 WeakPolarHBondContact O-CA 3.36Å; S822-Q825 WeakPolarHBondContact O-CB 3.45Å; S822-Q825 PolarHBondContact O-N 2.94Å; A823-Q825 PolarHBondContact O-N 2.59Å; Q825-K828 PolarHBondContact O-N 3.3Å; Q825-I829 HydrophobicContact CG-CD1 4.47Å; Q825-I829 VanDerWaalsContact O-CG1 3.29Å; Q825-I829 WeakPolarHBondContact O-CG1 3.46Å; Q825-I829 PolarHBondContact O-N 3.42Å |
| 826 | K | 60.2 | Low | 60.3 | Low | 162 Ų | 162 | 106.3 Ų | 106.3 | 70% | 0.704 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.3 | -43.9 | 171.5 | -79.1 | -170.3 | 174.2 | -177.1 | 0 | 112.6 | S822 A823 K828 I829 S830 | S822-K826 PolarHBondContact O-N 3.21Å; A823-K826 PolarHBondContact O-N 3.11Å; K826-K828 VanDerWaalsContact C-N 3.33Å; K826-K828 PolarHBondContact O-N 3.1Å; K826-I829 PolarHBondContact O-N 3.35Å; K826-S830 WeakPolarHBondContact O-CB 3.31Å; K826-S830 PolarHBondContact O-N 3.19Å |
| 827 | Q | 65.8 | Low | 62.1 | Low | 152 Ų | 152 | 106.6 Ų | 106.6 | 71% | 0.71 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.5 | -41.9 | 173.7 | -86 | -173.8 | -30.3 | 0 | 0 | 112.1 | A823 S830 F831 | A823-Q827 PolarHBondContact O-N 2.92Å; Q827-S830 PolarHBondContact O-N 2.91Å; Q827-F831 WeakPolarHBondContact O-CB 3.24Å; Q827-F831 PolarHBondContact O-N 3.45Å |
| 828 | K | 72.1 | Confident | 63.9 | Low | 149 Ų | 149 | 103.9 Ų | 103.9 | 65% | 0.648 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.2 | -35.2 | 180 | -162.7 | 165.9 | -173.5 | 173.7 | 0 | 112.9 | A824 Q825 K826 L832 | A824-K828 WeakPolarHBondContact O-CB 3.34Å; A824-K828 PolarHBondContact O-N 3.14Å; Q825-K828 PolarHBondContact O-N 3.3Å; K826-K828 VanDerWaalsContact C-N 3.33Å; K826-K828 PolarHBondContact O-N 3.1Å; K828-L832 WeakPolarHBondContact O-CD1 3.38Å; K828-L832 VanDerWaalsContact O-CG 3.27Å; K828-L832 WeakPolarHBondContact O-CG 3.42Å; K828-L832 PolarHBondContact O-N 3.26Å; K828-L832 VanDerWaalsContact O-N 3.15Å |
| 829 | I | 69.1 | Low | 65.9 | Low | 83 Ų | 83 | 103 Ų | 103 | 43% | 0.426 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.3 | -53.1 | 170.4 | -71 | 164.2 | 0 | 0 | 0 | 109.9 | Q825 K826 F831 L832 E833 | Q825-I829 HydrophobicContact CG-CD1 4.47Å; Q825-I829 VanDerWaalsContact O-CG1 3.29Å; Q825-I829 WeakPolarHBondContact O-CG1 3.46Å; Q825-I829 PolarHBondContact O-N 3.42Å; K826-I829 PolarHBondContact O-N 3.35Å; I829-F831 VanDerWaalsContact C-N 3.29Å; I829-F831 PolarHBondContact O-N 2.99Å; I829-L832 CarbonylContact O-C 3.56Å; I829-L832 WeakPolarHBondContact O-CA 3.49Å; I829-L832 PolarHBondContact O-N 2.99Å; I829-E833 HydrophobicContact CG2-CG 4.16Å; I829-E833 WeakPolarHBondContact O-CG 3.41Å; I829-E833 PolarHBondContact O-N 3.47Å |
| 830 | S | 69.2 | Low | 67.7 | Low | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -36.8 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | K826 Q827 E833 N834 | K826-S830 WeakPolarHBondContact O-CB 3.31Å; K826-S830 PolarHBondContact O-N 3.19Å; Q827-S830 PolarHBondContact O-N 2.91Å; S830-E833 WeakPolarHBondContact CA-OE2 3.31Å; S830-N834 WeakPolarHBondContact O-CB 3.47Å; S830-N834 PolarHBondContact O-N 3.08Å |
| 831 | F | 72.6 | Confident | 69.4 | Low | 135 Ų | 135 | 102.3 Ų | 102.3 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 173.1 | -177 | -98.2 | 0 | 0 | 0 | 112.3 | Q827 I829 N835 | Q827-F831 WeakPolarHBondContact O-CB 3.24Å; Q827-F831 PolarHBondContact O-N 3.45Å; I829-F831 VanDerWaalsContact C-N 3.29Å; I829-F831 PolarHBondContact O-N 2.99Å; F831-N835 VanDerWaalsContact CE1-ND2 3.29Å; F831-N835 WeakPolarHBondContact CE1-ND2 3.42Å; F831-N835 VanDerWaalsContact CZ-ND2 3.32Å; F831-N835 WeakPolarHBondContact CZ-ND2 3.49Å; F831-N835 PolarHBondContact O-N 3.32Å; F831-N835 VanDerWaalsContact O-N 3.09Å; F831-N835 PolarHBondContact O-ND2 2.95Å |
| 832 | L | 74.6 | Confident | 71.2 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -39.4 | 176.9 | -72.1 | 168.4 | 0 | 0 | 0 | 112 | K828 I829 N835 L836 | K828-L832 WeakPolarHBondContact O-CD1 3.38Å; K828-L832 VanDerWaalsContact O-CG 3.27Å; K828-L832 WeakPolarHBondContact O-CG 3.42Å; K828-L832 PolarHBondContact O-N 3.26Å; K828-L832 VanDerWaalsContact O-N 3.15Å; I829-L832 CarbonylContact O-C 3.56Å; I829-L832 WeakPolarHBondContact O-CA 3.49Å; I829-L832 PolarHBondContact O-N 2.99Å; L832-N835 PolarHBondContact O-N 2.59Å; L832-L836 VanDerWaalsContact O-CB 3.28Å; L832-L836 WeakPolarHBondContact O-CB 3.46Å; L832-L836 PolarHBondContact O-N 2.99Å |
| 833 | E | 72.3 | Confident | 72.1 | Confident | 118 Ų | 118 | 105.9 Ų | 105.9 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.2 | -46.7 | 174.5 | -71.2 | 169.9 | 151.7 | 0 | 0 | 111.4 | I829 S830 L836 E837 | I829-E833 HydrophobicContact CG2-CG 4.16Å; I829-E833 WeakPolarHBondContact O-CG 3.41Å; I829-E833 PolarHBondContact O-N 3.47Å; S830-E833 WeakPolarHBondContact CA-OE2 3.31Å; E833-L836 PolarHBondContact O-N 2.95Å; E833-E837 WeakPolarHBondContact O-CB 3.4Å; E833-E837 PolarHBondContact O-N 2.92Å |
| 834 | N | 76.6 | Confident | 73.4 | Confident | 82 Ų | 82 | 108.5 Ų | 108.5 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 179.1 | -165 | -29.5 | 0 | 0 | 0 | 111.8 | S830 L836 E837 Q838 | S830-N834 WeakPolarHBondContact O-CB 3.47Å; S830-N834 PolarHBondContact O-N 3.08Å; N834-L836 PolarHBondContact O-N 3.09Å; N834-E837 PolarHBondContact O-N 2.71Å; N834-Q838 WeakPolarHBondContact O-CG 3.46Å; N834-Q838 PolarHBondContact O-N 2.93Å; N834-Q838 PolarHBondContact OD1-NE2 3.08Å |
| 835 | N | 76.1 | Confident | 74.6 | Confident | 71 Ų | 71 | 109.3 Ų | 109.3 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 172.9 | -82.4 | -88 | 0 | 0 | 0 | 112.3 | F831 L832 E837 Q838 L839 | F831-N835 VanDerWaalsContact CE1-ND2 3.29Å; F831-N835 WeakPolarHBondContact CE1-ND2 3.42Å; F831-N835 VanDerWaalsContact CZ-ND2 3.32Å; F831-N835 WeakPolarHBondContact CZ-ND2 3.49Å; F831-N835 PolarHBondContact O-N 3.32Å; F831-N835 VanDerWaalsContact O-N 3.09Å; F831-N835 PolarHBondContact O-ND2 2.95Å; L832-N835 PolarHBondContact O-N 2.59Å; N835-E837 VanDerWaalsContact C-N 3.34Å; N835-Q838 PolarHBondContact O-N 2.95Å; N835-L839 WeakPolarHBondContact O-CB 3.32Å; N835-L839 PolarHBondContact O-N 3.39Å |
| 836 | L | 78.6 | Confident | 75.6 | Confident | 116 Ų | 116 | 108.3 Ų | 108.3 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -37.7 | 176.9 | -168.8 | 72.3 | 0 | 0 | 0 | 111.5 | L832 E833 N834 T840 | L832-L836 VanDerWaalsContact O-CB 3.28Å; L832-L836 WeakPolarHBondContact O-CB 3.46Å; L832-L836 PolarHBondContact O-N 2.99Å; E833-L836 PolarHBondContact O-N 2.95Å; N834-L836 PolarHBondContact O-N 3.09Å; L836-T840 VanDerWaalsContact O-CB 3.25Å; L836-T840 WeakPolarHBondContact O-CB 3.37Å; L836-T840 PolarHBondContact O-N 3.41Å; L836-T840 PolarHBondContact O-OG1 2.69Å |
| 837 | E | 74.9 | Confident | 76.6 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 175.1 | -157.1 | -160.3 | 151.8 | 0 | 0 | 111.7 | E833 N834 N835 T840 K841 | E833-E837 WeakPolarHBondContact O-CB 3.4Å; E833-E837 PolarHBondContact O-N 2.92Å; N834-E837 PolarHBondContact O-N 2.71Å; N835-E837 VanDerWaalsContact C-N 3.34Å; E837-T840 PolarHBondContact O-N 3.48Å; E837-K841 VanDerWaalsContact CD-NZ 3.34Å; E837-K841 WeakPolarHBondContact O-CG 3.43Å; E837-K841 PolarHBondContact O-N 3.38Å; E837-K841 WeakPolarHBondContact OE1-CE 3.44Å; E837-K841 IonicContact OE1-NZ 2.75Å; E837-K841 PolarHBondContact OE1-NZ 3.48Å; E837-K841 IonicContact OE2-NZ 2.86Å |
| 838 | Q | 75.3 | Confident | 77.3 | Confident | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.4 | -71.9 | -178.8 | 31.8 | 0 | 0 | 111.7 | N834 N835 T840 K841 V842 | N834-Q838 WeakPolarHBondContact O-CG 3.46Å; N834-Q838 PolarHBondContact O-N 2.93Å; N834-Q838 PolarHBondContact OD1-NE2 3.08Å; N835-Q838 PolarHBondContact O-N 2.95Å; Q838-T840 VanDerWaalsContact C-N 3.27Å; Q838-T840 PolarHBondContact O-N 3.45Å; Q838-K841 WeakPolarHBondContact O-CB 3.46Å; Q838-K841 PolarHBondContact O-N 2.95Å; Q838-K841 VanDerWaalsContact O-N 3.1Å; Q838-V842 WeakPolarHBondContact O-CG2 3.46Å; Q838-V842 PolarHBondContact O-N 2.98Å |
| 839 | L | 77.7 | Confident | 77.7 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 64% | 0.644 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | 176.5 | -162.1 | 74.1 | 0 | 0 | 0 | 111.4 | N835 V842 H843 | N835-L839 WeakPolarHBondContact O-CB 3.32Å; N835-L839 PolarHBondContact O-N 3.39Å; L839-V842 PolarHBondContact O-N 3.27Å; L839-H843 WeakPolarHBondContact O-CB 3.4Å; L839-H843 PolarHBondContact O-N 3.41Å |
| 840 | T | 79.7 | Confident | 78 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 174 | -61.1 | 0 | 0 | 0 | 0 | 112.1 | L836 E837 Q838 K844 | L836-T840 VanDerWaalsContact O-CB 3.25Å; L836-T840 WeakPolarHBondContact O-CB 3.37Å; L836-T840 PolarHBondContact O-N 3.41Å; L836-T840 PolarHBondContact O-OG1 2.69Å; E837-T840 PolarHBondContact O-N 3.48Å; Q838-T840 VanDerWaalsContact C-N 3.27Å; Q838-T840 PolarHBondContact O-N 3.45Å; T840-K844 HydrophobicContact CG2-CD 4.07Å; T840-K844 HydrophobicContact CG2-CG 4.47Å; T840-K844 VanDerWaalsContact O-CB 3.29Å; T840-K844 WeakPolarHBondContact O-CB 3.39Å; T840-K844 VanDerWaalsContact O-CG 3.26Å; T840-K844 WeakPolarHBondContact O-CG 3.36Å; T840-K844 PolarHBondContact O-N 3Å |
| 841 | K | 83.9 | Confident | 78.5 | Confident | 116 Ų | 116 | 97.7 Ų | 97.7 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -46.5 | 174.5 | -76.7 | 166.4 | 179.6 | 165 | 0 | 111.4 | E837 Q838 K844 Q845 | E837-K841 VanDerWaalsContact CD-NZ 3.34Å; E837-K841 WeakPolarHBondContact O-CG 3.43Å; E837-K841 PolarHBondContact O-N 3.38Å; E837-K841 WeakPolarHBondContact OE1-CE 3.44Å; E837-K841 IonicContact OE1-NZ 2.75Å; E837-K841 PolarHBondContact OE1-NZ 3.48Å; E837-K841 IonicContact OE2-NZ 2.86Å; Q838-K841 WeakPolarHBondContact O-CB 3.46Å; Q838-K841 PolarHBondContact O-N 2.95Å; Q838-K841 VanDerWaalsContact O-N 3.1Å; K841-K844 PolarHBondContact O-N 3.13Å; K841-Q845 PolarHBondContact O-N 3.47Å |
| 842 | V | 83.4 | Confident | 78.6 | Confident | 84 Ų | 84 | 96.2 Ų | 96.2 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 176.1 | 174.3 | 0 | 0 | 0 | 0 | 111 | Q838 L839 K844 Q845 L846 | Q838-V842 WeakPolarHBondContact O-CG2 3.46Å; Q838-V842 PolarHBondContact O-N 2.98Å; L839-V842 PolarHBondContact O-N 3.27Å; V842-K844 PolarHBondContact O-N 2.94Å; V842-Q845 WeakPolarHBondContact O-CB 3.34Å; V842-Q845 PolarHBondContact O-N 3.34Å; V842-L846 HydrophobicContact CG1-CD1 4.01Å; V842-L846 HydrophobicContact CG1-CG 4.46Å; V842-L846 PolarHBondContact O-N 3.49Å |
| 843 | H | 80.8 | Confident | 78.6 | Confident | 127 Ų | 127 | 96.7 Ų | 96.7 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 176.9 | -173.3 | 71.2 | 0 | 0 | 0 | 112.1 | L839 Q845 L846 V847 | L839-H843 WeakPolarHBondContact O-CB 3.4Å; L839-H843 PolarHBondContact O-N 3.41Å; H843-Q845 PolarHBondContact O-N 3.26Å; H843-L846 PolarHBondContact O-N 3.47Å; H843-V847 WeakPolarHBondContact O-CB 3.27Å; H843-V847 VanDerWaalsContact O-CG2 3.28Å; H843-V847 WeakPolarHBondContact O-CG2 3.33Å; H843-V847 PolarHBondContact O-N 3.44Å |
| 844 | K | 81.6 | Confident | 78.8 | Confident | 131 Ų | 131 | 100 Ų | 100 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -19.9 | 174 | -76.3 | 176.9 | 179.2 | 178.4 | 0 | 113.8 | T840 K841 V842 R848 | T840-K844 HydrophobicContact CG2-CD 4.07Å; T840-K844 HydrophobicContact CG2-CG 4.47Å; T840-K844 VanDerWaalsContact O-CB 3.29Å; T840-K844 WeakPolarHBondContact O-CB 3.39Å; T840-K844 VanDerWaalsContact O-CG 3.26Å; T840-K844 WeakPolarHBondContact O-CG 3.36Å; T840-K844 PolarHBondContact O-N 3Å; K841-K844 PolarHBondContact O-N 3.13Å; V842-K844 PolarHBondContact O-N 2.94Å; K844-R848 VanDerWaalsContact O-CZ 3.29Å; K844-R848 PolarHBondContact O-NE 2.9Å; K844-R848 PolarHBondContact O-NH2 3.29Å |
| 845 | Q | 82.6 | Confident | 78.9 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -81 | -55.1 | 173 | -169.3 | 59.9 | 47 | 0 | 0 | 110 | K841 V842 H843 V847 R848 D849 | K841-Q845 PolarHBondContact O-N 3.47Å; V842-Q845 WeakPolarHBondContact O-CB 3.34Å; V842-Q845 PolarHBondContact O-N 3.34Å; H843-Q845 PolarHBondContact O-N 3.26Å; Q845-V847 PolarHBondContact O-N 3.41Å; Q845-V847 VanDerWaalsContact O-N 3.09Å; Q845-R848 CarbonylContact O-C 3.55Å; Q845-R848 WeakPolarHBondContact O-CA 3.28Å; Q845-R848 WeakPolarHBondContact O-CB 3.38Å; Q845-R848 PolarHBondContact O-N 3.39Å; Q845-D849 PolarHBondContact NE2-OD1 3.39Å; Q845-D849 PolarHBondContact O-N 2.96Å |
| 846 | L | 79.8 | Confident | 78.8 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.9 | -31.7 | 178.7 | -69.8 | 171.1 | 0 | 0 | 0 | 113.9 | V842 H843 N850 | V842-L846 HydrophobicContact CG1-CD1 4.01Å; V842-L846 HydrophobicContact CG1-CG 4.46Å; V842-L846 PolarHBondContact O-N 3.49Å; H843-L846 PolarHBondContact O-N 3.47Å; L846-N850 WeakPolarHBondContact O-CB 3.5Å; L846-N850 PolarHBondContact O-N 3.03Å; L846-N850 PolarHBondContact O-ND2 3.04Å |
| 847 | V | 81.8 | Confident | 78.5 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -35.5 | 173.8 | 169.4 | 0 | 0 | 0 | 0 | 112.5 | H843 Q845 A851 | H843-V847 WeakPolarHBondContact O-CB 3.27Å; H843-V847 VanDerWaalsContact O-CG2 3.28Å; H843-V847 WeakPolarHBondContact O-CG2 3.33Å; H843-V847 PolarHBondContact O-N 3.44Å; Q845-V847 PolarHBondContact O-N 3.41Å; Q845-V847 VanDerWaalsContact O-N 3.09Å; V847-A851 PolarHBondContact O-N 3.48Å |
| 848 | R | 81.5 | Confident | 78.5 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -47.8 | 172.4 | -84 | 177.2 | -74.9 | 123.4 | 4.5 | 110.7 | K844 Q845 N850 A851 D852 | K844-R848 VanDerWaalsContact O-CZ 3.29Å; K844-R848 PolarHBondContact O-NE 2.9Å; K844-R848 PolarHBondContact O-NH2 3.29Å; Q845-R848 CarbonylContact O-C 3.55Å; Q845-R848 WeakPolarHBondContact O-CA 3.28Å; Q845-R848 WeakPolarHBondContact O-CB 3.38Å; Q845-R848 PolarHBondContact O-N 3.39Å; R848-N850 PolarHBondContact O-N 2.99Å; R848-A851 WeakPolarHBondContact O-CA 3.27Å; R848-A851 WeakPolarHBondContact O-CB 3.35Å; R848-A851 PolarHBondContact O-N 2.84Å; R848-D852 PolarHBondContact O-N 2.96Å |
| 849 | D | 79.4 | Confident | 78.5 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 31% | 0.31 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.5 | -38.8 | 177.5 | -49.5 | -29.4 | 0 | 0 | 0 | 111.4 | Q845 L853 | Q845-D849 PolarHBondContact NE2-OD1 3.39Å; Q845-D849 PolarHBondContact O-N 2.96Å; D849-L853 WeakPolarHBondContact O-CB 3.19Å; D849-L853 VanDerWaalsContact O-CG 3.23Å; D849-L853 WeakPolarHBondContact O-CG 3.42Å; D849-L853 PolarHBondContact O-N 2.93Å |
| 850 | N | 76 | Confident | 78.3 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 172.6 | -99.3 | -96.3 | 0 | 0 | 0 | 113.9 | L846 R848 R854 | L846-N850 WeakPolarHBondContact O-CB 3.5Å; L846-N850 PolarHBondContact O-N 3.03Å; L846-N850 PolarHBondContact O-ND2 3.04Å; R848-N850 PolarHBondContact O-N 2.99Å; N850-R854 WeakPolarHBondContact O-CB 3.4Å; N850-R854 WeakPolarHBondContact O-CD 3.36Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 3.27Å; N850-R854 VanDerWaalsContact O-N 3.14Å |
| 851 | A | 78.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 98.5 Ų | 98.5 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.3 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | V847 R848 R854 C855 | V847-A851 PolarHBondContact O-N 3.48Å; R848-A851 WeakPolarHBondContact O-CA 3.27Å; R848-A851 WeakPolarHBondContact O-CB 3.35Å; R848-A851 PolarHBondContact O-N 2.84Å; A851-R854 WeakPolarHBondContact O-CB 3.46Å; A851-R854 PolarHBondContact O-N 3.09Å; A851-C855 PolarHBondContact O-N 3.42Å |
| 852 | D | 74.3 | Confident | 78.2 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 179.1 | -65.8 | -33.5 | 0 | 0 | 0 | 111.4 | R848 R854 C855 E856 | R848-D852 PolarHBondContact O-N 2.96Å; D852-R854 VanDerWaalsContact C-N 3.33Å; D852-R854 PolarHBondContact O-N 2.98Å; D852-C855 CarbonylContact O-C 3.59Å; D852-C855 WeakPolarHBondContact O-CA 3.21Å; D852-C855 PolarHBondContact O-N 3.41Å; D852-E856 PolarHBondContact O-N 2.83Å |
| 853 | L | 75 | Confident | 78 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 173.2 | -74.6 | 169.3 | 0 | 0 | 0 | 112.8 | D849 C855 E856 L857 | D849-L853 WeakPolarHBondContact O-CB 3.19Å; D849-L853 VanDerWaalsContact O-CG 3.23Å; D849-L853 WeakPolarHBondContact O-CG 3.42Å; D849-L853 PolarHBondContact O-N 2.93Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 2.99Å; L853-E856 PolarHBondContact O-N 3.24Å; L853-L857 WeakPolarHBondContact O-CB 3.36Å; L853-L857 PolarHBondContact O-N 2.94Å |
| 854 | R | 77.4 | Confident | 77.7 | Confident | 188 Ų | 188 | 105.3 Ų | 105.3 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.4 | -25.2 | 173.9 | -77.1 | 172.4 | 176.9 | -178.6 | -0.7 | 112.9 | N850 A851 D852 P858 | N850-R854 WeakPolarHBondContact O-CB 3.4Å; N850-R854 WeakPolarHBondContact O-CD 3.36Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 3.27Å; N850-R854 VanDerWaalsContact O-N 3.14Å; A851-R854 WeakPolarHBondContact O-CB 3.46Å; A851-R854 PolarHBondContact O-N 3.09Å; D852-R854 VanDerWaalsContact C-N 3.33Å; D852-R854 PolarHBondContact O-N 2.98Å; R854-P858 WeakPolarHBondContact O-CD 3.3Å |
| 855 | C | 78.5 | Confident | 77.8 | Confident | 79 Ų | 79 | 106.2 Ų | 106.2 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -84.2 | -28.1 | 172.6 | -72.1 | 0 | 0 | 0 | 0 | 113.3 | A851 D852 L853 K859 | A851-C855 PolarHBondContact O-N 3.42Å; D852-C855 CarbonylContact O-C 3.59Å; D852-C855 WeakPolarHBondContact O-CA 3.21Å; D852-C855 PolarHBondContact O-N 3.41Å; L853-C855 VanDerWaalsContact C-N 3.27Å; L853-C855 PolarHBondContact O-N 2.99Å; C855-K859 WeakPolarHBondContact O-CE 3.32Å; C855-K859 WeakPolarHBondContact O-CG 3.21Å |
| 856 | E | 73.1 | Confident | 77.6 | Confident | 82 Ų | 82 | 104.9 Ų | 104.9 | 38% | 0.383 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.7 | -43.5 | 174.7 | -81.7 | -61.3 | 109 | 0 | 0 | 113.2 | D852 L853 K859 L860 | D852-E856 PolarHBondContact O-N 2.83Å; L853-E856 PolarHBondContact O-N 3.24Å; E856-K859 WeakPolarHBondContact O-CA 3.39Å; E856-K859 VanDerWaalsContact O-CB 3.3Å; E856-K859 WeakPolarHBondContact O-CB 3.31Å; E856-K859 PolarHBondContact O-N 2.96Å; E856-K859 WeakPolarHBondContact OE1-CD 3.48Å; E856-K859 WeakPolarHBondContact OE1-CE 3.47Å; E856-K859 IonicContact OE1-NZ 3.52Å; E856-K859 PolarHBondContact OE1-NZ 3.31Å; E856-L860 PolarHBondContact O-N 2.9Å |
| 857 | L | 72.5 | Confident | 77.5 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -54.3 | -45.3 | -172.3 | -170.7 | 158 | 0 | 0 | 0 | 113.5 | L853 K859 L860 E861 | L853-L857 WeakPolarHBondContact O-CB 3.36Å; L853-L857 PolarHBondContact O-N 2.94Å; L857-K859 VanDerWaalsContact C-N 3.3Å; L857-K859 PolarHBondContact O-N 3.47Å; L857-L860 PolarHBondContact O-N 3.03Å; L857-E861 HydrophobicContact CD2-CG 4.23Å; L857-E861 WeakPolarHBondContact CD2-OE1 3.41Å; L857-E861 PolarHBondContact O-N 3.49Å |
| 858 | P | 75.8 | Confident | 77.1 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -28.4 | 175.2 | -22 | 34.5 | 0 | 0 | 0 | 114.2 | R854 K862 | R854-P858 WeakPolarHBondContact O-CD 3.3Å; P858-K862 WeakPolarHBondContact O-CB 3.43Å; P858-K862 PolarHBondContact O-N 3.32Å |
| 859 | K | 74.9 | Confident | 77.3 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.2 | -42.4 | 175.1 | -54.5 | 173 | -166.5 | 165.2 | 0 | 110.2 | C855 E856 L857 K862 R863 | C855-K859 WeakPolarHBondContact O-CE 3.32Å; C855-K859 WeakPolarHBondContact O-CG 3.21Å; E856-K859 WeakPolarHBondContact O-CA 3.39Å; E856-K859 VanDerWaalsContact O-CB 3.3Å; E856-K859 WeakPolarHBondContact O-CB 3.31Å; E856-K859 PolarHBondContact O-N 2.96Å; E856-K859 WeakPolarHBondContact OE1-CD 3.48Å; E856-K859 WeakPolarHBondContact OE1-CE 3.47Å; E856-K859 IonicContact OE1-NZ 3.52Å; E856-K859 PolarHBondContact OE1-NZ 3.31Å; L857-K859 VanDerWaalsContact C-N 3.3Å; L857-K859 PolarHBondContact O-N 3.47Å; K859-K862 PolarHBondContact O-N 2.9Å; K859-R863 WeakPolarHBondContact O-CG 3.46Å; K859-R863 PolarHBondContact O-N 2.95Å |
| 860 | L | 73.6 | Confident | 77.6 | Confident | 96 Ų | 96 | 110 Ų | 110 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.7 | -67.7 | 171.4 | 0 | 0 | 0 | 111.3 | E856 L857 K862 R863 L864 | E856-L860 PolarHBondContact O-N 2.9Å; L857-L860 PolarHBondContact O-N 3.03Å; L860-K862 VanDerWaalsContact C-N 3.33Å; L860-K862 PolarHBondContact O-N 3.47Å; L860-R863 PolarHBondContact O-N 3.29Å; L860-L864 WeakPolarHBondContact O-CB 3.34Å; L860-L864 PolarHBondContact O-N 3.21Å |
| 861 | E | 77.5 | Confident | 77.8 | Confident | 89 Ų | 89 | 109.4 Ų | 109.4 | 42% | 0.416 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 172.2 | -75 | -171.9 | -168.6 | 0 | 0 | 113.2 | L857 L864 R865 | L857-E861 HydrophobicContact CD2-CG 4.23Å; L857-E861 WeakPolarHBondContact CD2-OE1 3.41Å; L857-E861 PolarHBondContact O-N 3.49Å; E861-L864 PolarHBondContact O-N 3.09Å; E861-R865 WeakPolarHBondContact O-CG 3.39Å; E861-R865 PolarHBondContact O-N 3.29Å; E861-R865 IonicContact OE2-CZ 2.84Å; E861-R865 IonicContact OE2-NH2 2.75Å; E861-R865 PolarHBondContact OE2-NH2 3.35Å |
| 862 | K | 83.6 | Confident | 78.1 | Confident | 162 Ų | 162 | 114.3 Ų | 114.3 | 70% | 0.704 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.5 | -39.3 | 178.1 | -171.4 | 175.1 | -178.7 | 179.2 | 0 | 111.5 | P858 K859 L860 A866 | P858-K862 WeakPolarHBondContact O-CB 3.43Å; P858-K862 PolarHBondContact O-N 3.32Å; K859-K862 PolarHBondContact O-N 2.9Å; L860-K862 VanDerWaalsContact C-N 3.33Å; L860-K862 PolarHBondContact O-N 3.47Å; K862-A866 WeakPolarHBondContact O-CB 3.36Å; K862-A866 PolarHBondContact O-N 2.8Å |
| 863 | R | 78.6 | Confident | 78.6 | Confident | 181 Ų | 181 | 112.3 Ų | 112.3 | 68% | 0.683 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.7 | -45.5 | 172.2 | -73 | 176.3 | 70.8 | 170.7 | 2.4 | 111.2 | K859 L860 R865 A866 T867 | K859-R863 WeakPolarHBondContact O-CG 3.46Å; K859-R863 PolarHBondContact O-N 2.95Å; L860-R863 PolarHBondContact O-N 3.29Å; R863-R865 PolarHBondContact O-N 3.35Å; R863-A866 PolarHBondContact O-N 2.9Å; R863-T867 PolarHBondContact O-N 3.48Å; R863-T867 PolarHBondContact O-OG1 3.46Å; R863-T867 VanDerWaalsContact O-OG1 3.09Å |
| 864 | L | 76.5 | Confident | 78.9 | Confident | 126 Ų | 126 | 111.7 Ų | 111.7 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.9 | -45.1 | 178.9 | -176.4 | 62.2 | 0 | 0 | 0 | 112 | L860 E861 T867 A868 | L860-L864 WeakPolarHBondContact O-CB 3.34Å; L860-L864 PolarHBondContact O-N 3.21Å; E861-L864 PolarHBondContact O-N 3.09Å; L864-T867 PolarHBondContact O-N 2.96Å; L864-A868 PolarHBondContact O-N 3.05Å |
| 865 | R | 82.1 | Confident | 79.1 | Confident | 150 Ų | 150 | 108.5 Ų | 108.5 | 57% | 0.566 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.4 | -48.7 | 175.2 | -77.9 | -178.6 | -104.9 | -171.6 | -8.4 | 112.3 | E861 R863 T867 A868 E869 | E861-R865 WeakPolarHBondContact O-CG 3.39Å; E861-R865 PolarHBondContact O-N 3.29Å; E861-R865 IonicContact OE2-CZ 2.84Å; E861-R865 IonicContact OE2-NH2 2.75Å; E861-R865 PolarHBondContact OE2-NH2 3.35Å; R863-R865 PolarHBondContact O-N 3.35Å; R865-T867 VanDerWaalsContact C-N 3.29Å; R865-T867 PolarHBondContact O-N 2.99Å; R865-A868 PolarHBondContact O-N 3.31Å; R865-A868 VanDerWaalsContact O-N 3.14Å; R865-E869 WeakPolarHBondContact O-CG 3.44Å; R865-E869 PolarHBondContact O-N 2.96Å |
| 866 | A | 79.9 | Confident | 79.4 | Confident | 54 Ų | 54 | 108.4 Ų | 108.4 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K862 R863 R870 | K862-A866 WeakPolarHBondContact O-CB 3.36Å; K862-A866 PolarHBondContact O-N 2.8Å; R863-A866 PolarHBondContact O-N 2.9Å; A866-R870 WeakPolarHBondContact O-CB 3.43Å; A866-R870 PolarHBondContact O-N 2.78Å |
| 867 | T | 76.3 | Confident | 79.8 | Confident | 86 Ų | 86 | 107 Ų | 107 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 172.7 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | R863 L864 R865 R870 V871 | R863-T867 PolarHBondContact O-N 3.48Å; R863-T867 PolarHBondContact O-OG1 3.46Å; R863-T867 VanDerWaalsContact O-OG1 3.09Å; L864-T867 PolarHBondContact O-N 2.96Å; R865-T867 VanDerWaalsContact C-N 3.29Å; R865-T867 PolarHBondContact O-N 2.99Å; T867-R870 PolarHBondContact O-N 2.79Å; T867-V871 WeakPolarHBondContact O-CG2 3.48Å; T867-V871 PolarHBondContact O-N 3.11Å |
| 868 | A | 74.9 | Confident | 80 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L864 R865 V871 K872 | L864-A868 PolarHBondContact O-N 3.05Å; R865-A868 PolarHBondContact O-N 3.31Å; R865-A868 VanDerWaalsContact O-N 3.14Å; A868-V871 PolarHBondContact O-N 3.4Å; A868-K872 WeakPolarHBondContact O-CB 3.38Å; A868-K872 PolarHBondContact O-N 2.9Å |
| 869 | E | 85.1 | Confident | 80.4 | Confident | 138 Ų | 138 | 110 Ų | 110 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -42.3 | 173.6 | -71.7 | 170.5 | 169.3 | 0 | 0 | 111.7 | R865 K872 A873 | R865-E869 WeakPolarHBondContact O-CG 3.44Å; R865-E869 PolarHBondContact O-N 2.96Å; E869-K872 PolarHBondContact O-N 3.47Å; E869-A873 WeakPolarHBondContact O-CB 3.43Å; E869-A873 PolarHBondContact O-N 3.44Å |
| 870 | R | 85.6 | Confident | 81 | Confident | 181 Ų | 181 | 110.1 Ų | 110.1 | 68% | 0.683 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 175 | -176.9 | 175 | 177 | 173.5 | -1.1 | 112.5 | A866 T867 A873 L874 | A866-R870 WeakPolarHBondContact O-CB 3.43Å; A866-R870 PolarHBondContact O-N 2.78Å; T867-R870 PolarHBondContact O-N 2.79Å; R870-A873 PolarHBondContact O-N 3.08Å; R870-L874 HydrophobicContact CG-CD1 4.13Å; R870-L874 VanDerWaalsContact O-CG 3.3Å; R870-L874 WeakPolarHBondContact O-CG 3.27Å; R870-L874 PolarHBondContact O-N 3.43Å |
| 871 | V | 80.3 | Confident | 81.3 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.418 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -50.3 | 174.5 | 169 | 0 | 0 | 0 | 0 | 110.1 | T867 A868 A873 L874 E875 | T867-V871 WeakPolarHBondContact O-CG2 3.48Å; T867-V871 PolarHBondContact O-N 3.11Å; A868-V871 PolarHBondContact O-N 3.4Å; V871-A873 VanDerWaalsContact C-N 3.29Å; V871-A873 PolarHBondContact O-N 2.93Å; V871-L874 WeakPolarHBondContact O-CB 3.46Å; V871-L874 PolarHBondContact O-N 3.06Å; V871-E875 HydrophobicContact CG1-CG 4.31Å; V871-E875 WeakPolarHBondContact O-CG 3.38Å; V871-E875 PolarHBondContact O-N 3.48Å |
| 872 | K | 85 | Confident | 81.4 | Confident | 153 Ų | 153 | 110.1 Ų | 110.1 | 67% | 0.665 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.3 | -37.3 | 178.5 | -172 | 177.7 | -179.5 | -179.1 | 0 | 113.1 | A868 E869 S876 | A868-K872 WeakPolarHBondContact O-CB 3.38Å; A868-K872 PolarHBondContact O-N 2.9Å; E869-K872 PolarHBondContact O-N 3.47Å; K872-S876 PolarHBondContact O-N 3.28Å; K872-S876 VanDerWaalsContact O-N 3.11Å |
| 873 | A | 83.9 | Confident | 81.5 | Confident | 62 Ų | 62 | 106.7 Ų | 106.7 | 51% | 0.512 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E869 R870 V871 S876 A877 | E869-A873 WeakPolarHBondContact O-CB 3.43Å; E869-A873 PolarHBondContact O-N 3.44Å; R870-A873 PolarHBondContact O-N 3.08Å; V871-A873 VanDerWaalsContact C-N 3.29Å; V871-A873 PolarHBondContact O-N 2.93Å; A873-S876 PolarHBondContact O-N 3.04Å; A873-A877 PolarHBondContact O-N 2.92Å |
| 874 | L | 80.9 | Confident | 81.6 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 55% | 0.55 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 176.2 | -71.2 | 167.9 | 0 | 0 | 0 | 112.4 | R870 V871 A877 L878 | R870-L874 HydrophobicContact CG-CD1 4.13Å; R870-L874 VanDerWaalsContact O-CG 3.3Å; R870-L874 WeakPolarHBondContact O-CG 3.27Å; R870-L874 PolarHBondContact O-N 3.43Å; V871-L874 WeakPolarHBondContact O-CB 3.46Å; V871-L874 PolarHBondContact O-N 3.06Å; L874-A877 PolarHBondContact O-N 2.9Å; L874-L878 VanDerWaalsContact O-CB 3.23Å; L874-L878 WeakPolarHBondContact O-CB 3.46Å; L874-L878 PolarHBondContact O-N 3.43Å |
| 875 | E | 83.3 | Confident | 81.6 | Confident | 121 Ų | 121 | 96.6 Ų | 96.6 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -43 | 173.2 | -71.8 | 173.4 | 155.8 | 0 | 0 | 111.7 | V871 L878 K879 | V871-E875 HydrophobicContact CG1-CG 4.31Å; V871-E875 WeakPolarHBondContact O-CG 3.38Å; V871-E875 PolarHBondContact O-N 3.48Å; E875-L878 PolarHBondContact O-N 2.88Å; E875-K879 PolarHBondContact O-N 2.85Å |
| 876 | S | 83.3 | Confident | 81.5 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 53% | 0.531 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.8 | -164.9 | 0 | 0 | 0 | 0 | 111.6 | K872 A873 L878 K879 E880 | K872-S876 PolarHBondContact O-N 3.28Å; K872-S876 VanDerWaalsContact O-N 3.11Å; A873-S876 PolarHBondContact O-N 3.04Å; S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 3.3Å; S876-K879 PolarHBondContact O-N 3.14Å; S876-E880 PolarHBondContact O-N 3.23Å |
| 877 | A | 83.2 | Confident | 81.7 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A873 L874 E880 A881 | A873-A877 PolarHBondContact O-N 2.92Å; L874-A877 PolarHBondContact O-N 2.9Å; A877-E880 PolarHBondContact O-N 3.19Å; A877-A881 VanDerWaalsContact O-CB 3.24Å; A877-A881 WeakPolarHBondContact O-CB 3.49Å; A877-A881 PolarHBondContact O-N 3.4Å |
| 878 | L | 75.8 | Confident | 81.8 | Confident | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 175.5 | -179.1 | 63 | 0 | 0 | 0 | 112.1 | L874 E875 S876 K882 | L874-L878 VanDerWaalsContact O-CB 3.23Å; L874-L878 WeakPolarHBondContact O-CB 3.46Å; L874-L878 PolarHBondContact O-N 3.43Å; E875-L878 PolarHBondContact O-N 2.88Å; S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 3.3Å; L878-K882 WeakPolarHBondContact O-CB 3.37Å; L878-K882 VanDerWaalsContact O-CG 3.28Å; L878-K882 WeakPolarHBondContact O-CG 3.24Å; L878-K882 PolarHBondContact O-N 3.17Å |
| 879 | K | 85 | Confident | 82 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -50.3 | 172.9 | -179.4 | -179.5 | 169.2 | -177.6 | 0 | 110.8 | E875 S876 A881 K882 E883 | E875-K879 PolarHBondContact O-N 2.85Å; S876-K879 PolarHBondContact O-N 3.14Å; K879-A881 VanDerWaalsContact C-N 3.35Å; K879-A881 PolarHBondContact O-N 3.44Å; K879-K882 WeakPolarHBondContact O-CB 3.33Å; K879-K882 PolarHBondContact O-N 3.37Å; K879-K882 VanDerWaalsContact O-N 3.13Å; K879-E883 WeakPolarHBondContact CE-OE1 3.38Å; K879-E883 IonicContact NZ-OE1 2.74Å; K879-E883 PolarHBondContact O-N 3.32Å |
| 880 | E | 86.1 | Confident | 82 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 179.1 | -167.7 | -177 | 163.7 | 0 | 0 | 111.9 | S876 A877 K882 E883 N884 | S876-E880 PolarHBondContact O-N 3.23Å; A877-E880 PolarHBondContact O-N 3.19Å; E880-K882 VanDerWaalsContact C-N 3.34Å; E880-K882 PolarHBondContact O-N 3.16Å; E880-E883 PolarHBondContact O-N 2.96Å; E880-N884 WeakPolarHBondContact O-CB 2.87Å; E880-N884 PolarHBondContact O-N 3.47Å; E880-N884 PolarHBondContact O-ND2 3Å |
| 881 | A | 79.9 | Confident | 81.7 | Confident | 55 Ų | 55 | 99.6 Ų | 99.6 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A877 K879 A885 | A877-A881 VanDerWaalsContact O-CB 3.24Å; A877-A881 WeakPolarHBondContact O-CB 3.49Å; A877-A881 PolarHBondContact O-N 3.4Å; K879-A881 VanDerWaalsContact C-N 3.35Å; K879-A881 PolarHBondContact O-N 3.44Å; A881-A885 VanDerWaalsContact O-CB 3.26Å; A881-A885 WeakPolarHBondContact O-CB 3.18Å; A881-A885 PolarHBondContact O-N 3.34Å |
| 882 | K | 80.9 | Confident | 81.5 | Confident | 131 Ų | 131 | 104.8 Ų | 104.8 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | 173.9 | -77.8 | 172.2 | 179.4 | 178.7 | 0 | 112.1 | L878 K879 E880 A886 | L878-K882 WeakPolarHBondContact O-CB 3.37Å; L878-K882 VanDerWaalsContact O-CG 3.28Å; L878-K882 WeakPolarHBondContact O-CG 3.24Å; L878-K882 PolarHBondContact O-N 3.17Å; K879-K882 WeakPolarHBondContact O-CB 3.33Å; K879-K882 PolarHBondContact O-N 3.37Å; K879-K882 VanDerWaalsContact O-N 3.13Å; E880-K882 VanDerWaalsContact C-N 3.34Å; E880-K882 PolarHBondContact O-N 3.16Å; K882-A886 WeakPolarHBondContact O-CB 3.49Å; K882-A886 PolarHBondContact O-N 3.39Å |
| 883 | E | 84.8 | Confident | 81.1 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 177.5 | -71.4 | 177.5 | -163 | 0 | 0 | 112.5 | K879 E880 A886 R887 | K879-E883 WeakPolarHBondContact CE-OE1 3.38Å; K879-E883 IonicContact NZ-OE1 2.74Å; K879-E883 PolarHBondContact O-N 3.32Å; E880-E883 PolarHBondContact O-N 2.96Å; E883-A886 PolarHBondContact O-N 3.24Å; E883-R887 PolarHBondContact O-N 3.32Å |
| 884 | N | 81 | Confident | 80.9 | Confident | 54 Ų | 54 | 104.9 Ų | 104.9 | 29% | 0.289 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -53.8 | 170.2 | -74.5 | -31.3 | 0 | 0 | 0 | 110.4 | E880 A886 R887 D888 | E880-N884 WeakPolarHBondContact O-CB 2.87Å; E880-N884 PolarHBondContact O-N 3.47Å; E880-N884 PolarHBondContact O-ND2 3Å; N884-A886 PolarHBondContact O-N 2.83Å; N884-R887 PolarHBondContact O-N 2.82Å; N884-R887 PolarHBondContact OD1-NH1 3.07Å; N884-R887 PolarHBondContact OD1-NH2 3.01Å; N884-D888 PolarHBondContact O-N 3.05Å |
| 885 | A | 75.8 | Confident | 80.5 | Confident | 40 Ų | 40 | 103.8 Ų | 103.8 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -25.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A881 R889 | A881-A885 VanDerWaalsContact O-CB 3.26Å; A881-A885 WeakPolarHBondContact O-CB 3.18Å; A881-A885 PolarHBondContact O-N 3.34Å; A885-R889 VanDerWaalsContact O-CB 3.32Å; A885-R889 WeakPolarHBondContact O-CB 3.33Å; A885-R889 WeakPolarHBondContact O-CG 3.17Å; A885-R889 PolarHBondContact O-N 2.86Å; A885-R889 PolarHBondContact O-NE 3.28Å; A885-R889 PolarHBondContact O-NH2 3.16Å |
| 886 | A | 80.1 | Confident | 79.9 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.4 | -44.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K882 E883 N884 R889 K890 | K882-A886 WeakPolarHBondContact O-CB 3.49Å; K882-A886 PolarHBondContact O-N 3.39Å; E883-A886 PolarHBondContact O-N 3.24Å; N884-A886 PolarHBondContact O-N 2.83Å; A886-R889 PolarHBondContact O-N 2.81Å; A886-K890 PolarHBondContact O-N 3.25Å |
| 887 | R | 85.2 | Confident | 79.5 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.3 | -78.2 | -175.8 | -94.2 | 101.1 | -2.2 | 112.1 | E883 N884 K890 R891 | E883-R887 PolarHBondContact O-N 3.32Å; N884-R887 PolarHBondContact O-N 2.82Å; N884-R887 PolarHBondContact OD1-NH1 3.07Å; N884-R887 PolarHBondContact OD1-NH2 3.01Å; R887-K890 PolarHBondContact O-N 3.13Å; R887-R891 PolarHBondContact O-N 2.99Å |
| 888 | D | 77.6 | Confident | 79.4 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.1 | -36.3 | 179.2 | -66.3 | -33.9 | 0 | 0 | 0 | 112.3 | N884 K890 R891 Y892 | N884-D888 PolarHBondContact O-N 3.05Å; D888-K890 VanDerWaalsContact C-N 3.32Å; D888-K890 PolarHBondContact O-N 2.83Å; D888-R891 PolarHBondContact O-N 3.05Å; D888-R891 IonicContact OD1-NH1 2.72Å; D888-Y892 WeakPolarHBondContact O-CB 3.41Å; D888-Y892 PolarHBondContact O-N 3.37Å |
| 889 | R | 79.7 | Confident | 79.1 | Confident | 161 Ų | 161 | 104 Ų | 104 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -40.8 | 168.3 | -83.9 | 174.1 | -71.1 | -146.1 | 0.1 | 112.2 | A885 A886 Y892 Q893 | A885-R889 VanDerWaalsContact O-CB 3.32Å; A885-R889 WeakPolarHBondContact O-CB 3.33Å; A885-R889 WeakPolarHBondContact O-CG 3.17Å; A885-R889 PolarHBondContact O-N 2.86Å; A885-R889 PolarHBondContact O-NE 3.28Å; A885-R889 PolarHBondContact O-NH2 3.16Å; A886-R889 PolarHBondContact O-N 2.81Å; R889-Y892 PolarHBondContact O-N 2.9Å; R889-Q893 WeakPolarHBondContact O-CB 3.3Å; R889-Q893 PolarHBondContact O-N 3.34Å |
| 890 | K | 83.8 | Confident | 78.4 | Confident | 145 Ų | 145 | 102.2 Ų | 102.2 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.5 | -170 | 171.4 | -177.3 | 174.3 | 0 | 111.7 | A886 R887 D888 Q893 Q894 | A886-K890 PolarHBondContact O-N 3.25Å; R887-K890 PolarHBondContact O-N 3.13Å; D888-K890 VanDerWaalsContact C-N 3.32Å; D888-K890 PolarHBondContact O-N 2.83Å; K890-Q893 PolarHBondContact O-N 3.41Å; K890-Q894 WeakPolarHBondContact O-CG 3.47Å; K890-Q894 PolarHBondContact O-N 3.34Å; K890-Q894 VanDerWaalsContact O-N 3.11Å; K890-Q894 PolarHBondContact O-OE1 3.44Å |
| 891 | R | 79.6 | Confident | 77.8 | Confident | 169 Ų | 169 | 100.2 Ų | 100.2 | 64% | 0.638 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.5 | -46.2 | 173.6 | -73.1 | 172.2 | 164.8 | 175.8 | -8.9 | 112.5 | R887 D888 Q893 Q894 E895 | R887-R891 PolarHBondContact O-N 2.99Å; D888-R891 PolarHBondContact O-N 3.05Å; D888-R891 IonicContact OD1-NH1 2.72Å; R891-Q893 VanDerWaalsContact C-N 3.3Å; R891-Q893 PolarHBondContact O-N 3.29Å; R891-Q894 PolarHBondContact O-N 2.96Å; R891-E895 PolarHBondContact O-N 3.33Å |
| 892 | Y | 76 | Confident | 77.3 | Confident | 178 Ų | 178 | 100.7 Ų | 100.7 | 70% | 0.698 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.5 | -35 | -179.6 | -135.6 | -77.2 | 0 | 0 | 0 | 112 | D888 R889 V896 | D888-Y892 WeakPolarHBondContact O-CB 3.41Å; D888-Y892 PolarHBondContact O-N 3.37Å; R889-Y892 PolarHBondContact O-N 2.9Å; Y892-V896 HydrophobicContact CD1-CG2 3.99Å; Y892-V896 HydrophobicContact CE1-CG2 4.36Å; Y892-V896 VanDerWaalsContact O-CB 3.3Å; Y892-V896 WeakPolarHBondContact O-CB 3.39Å; Y892-V896 VanDerWaalsContact O-CG2 3.23Å; Y892-V896 WeakPolarHBondContact O-CG2 3.25Å; Y892-V896 PolarHBondContact O-N 3.17Å |
| 893 | Q | 76.4 | Confident | 76.5 | Confident | 98 Ų | 98 | 98 Ų | 98 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 174 | -170.4 | 60.7 | 47.7 | 0 | 0 | 111 | R889 K890 R891 E895 V896 D897 | R889-Q893 WeakPolarHBondContact O-CB 3.3Å; R889-Q893 PolarHBondContact O-N 3.34Å; K890-Q893 PolarHBondContact O-N 3.41Å; R891-Q893 VanDerWaalsContact C-N 3.3Å; R891-Q893 PolarHBondContact O-N 3.29Å; Q893-E895 VanDerWaalsContact C-N 3.33Å; Q893-E895 PolarHBondContact O-N 3.28Å; Q893-V896 PolarHBondContact O-N 3.35Å; Q893-D897 WeakPolarHBondContact CG-OD2 3.48Å; Q893-D897 PolarHBondContact NE2-OD1 3.2Å; Q893-D897 PolarHBondContact NE2-OD2 3.4Å; Q893-D897 PolarHBondContact O-N 2.87Å; Q893-D897 VanDerWaalsContact O-OD2 3.13Å |
| 894 | Q | 80 | Confident | 75.7 | Confident | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57.4 | -42.5 | 176.5 | -70.5 | 171.8 | -50.4 | 0 | 0 | 112.5 | K890 R891 D897 R898 | K890-Q894 WeakPolarHBondContact O-CG 3.47Å; K890-Q894 PolarHBondContact O-N 3.34Å; K890-Q894 VanDerWaalsContact O-N 3.11Å; K890-Q894 PolarHBondContact O-OE1 3.44Å; R891-Q894 PolarHBondContact O-N 2.96Å; Q894-D897 PolarHBondContact O-N 3.43Å; Q894-R898 WeakPolarHBondContact O-CB 3.49Å; Q894-R898 PolarHBondContact O-N 3.3Å |
| 895 | E | 73.1 | Confident | 74.9 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | 176.9 | -159.4 | 63.9 | -131.2 | 0 | 0 | 112.3 | R891 Q893 D897 R898 I899 | R891-E895 PolarHBondContact O-N 3.33Å; Q893-E895 VanDerWaalsContact C-N 3.33Å; Q893-E895 PolarHBondContact O-N 3.28Å; E895-D897 VanDerWaalsContact C-N 3.32Å; E895-D897 PolarHBondContact O-N 2.86Å; E895-R898 PolarHBondContact O-N 2.89Å; E895-R898 IonicContact OE1-CZ 2.78Å; E895-R898 IonicContact OE1-NE 3.89Å; E895-R898 IonicContact OE1-NH1 2.82Å; E895-R898 PolarHBondContact OE1-NH1 2.82Å; E895-R898 IonicContact OE2-CZ 3.14Å; E895-R898 IonicContact OE2-NH1 2.7Å; E895-R898 PolarHBondContact OE2-NH1 3.47Å; E895-I899 HydrophobicContact CG-CD1 4.32Å; E895-I899 WeakPolarHBondContact O-CB 3.45Å; E895-I899 WeakPolarHBondContact O-CD1 3.46Å; E895-I899 VanDerWaalsContact O-CG1 3.24Å; E895-I899 WeakPolarHBondContact O-CG1 3.49Å; E895-I899 PolarHBondContact O-N 3.32Å |
| 896 | V | 70.9 | Confident | 74.2 | Confident | 51 Ų | 51 | 107.7 Ų | 107.7 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.5 | 159.9 | 0 | 0 | 0 | 0 | 111.4 | Y892 Q893 I899 K900 | Y892-V896 HydrophobicContact CD1-CG2 3.99Å; Y892-V896 HydrophobicContact CE1-CG2 4.36Å; Y892-V896 VanDerWaalsContact O-CB 3.3Å; Y892-V896 WeakPolarHBondContact O-CB 3.39Å; Y892-V896 VanDerWaalsContact O-CG2 3.23Å; Y892-V896 WeakPolarHBondContact O-CG2 3.25Å; Y892-V896 PolarHBondContact O-N 3.17Å; Q893-V896 PolarHBondContact O-N 3.35Å; V896-I899 PolarHBondContact O-N 3.36Å; V896-K900 WeakPolarHBondContact O-CG 3.46Å; V896-K900 PolarHBondContact O-N 3.35Å |
| 897 | D | 75.6 | Confident | 72.9 | Confident | 55 Ų | 55 | 110.1 Ų | 110.1 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.6 | -39.3 | -178.7 | -65.4 | -35.1 | 0 | 0 | 0 | 111.7 | Q893 Q894 E895 I899 K900 E901 | Q893-D897 WeakPolarHBondContact CG-OD2 3.48Å; Q893-D897 PolarHBondContact NE2-OD1 3.2Å; Q893-D897 PolarHBondContact NE2-OD2 3.4Å; Q893-D897 PolarHBondContact O-N 2.87Å; Q893-D897 VanDerWaalsContact O-OD2 3.13Å; Q894-D897 PolarHBondContact O-N 3.43Å; E895-D897 VanDerWaalsContact C-N 3.32Å; E895-D897 PolarHBondContact O-N 2.86Å; D897-I899 VanDerWaalsContact C-N 3.27Å; D897-I899 PolarHBondContact O-N 3.49Å; D897-K900 WeakPolarHBondContact O-CB 3.42Å; D897-K900 PolarHBondContact O-N 2.93Å; D897-K900 VanDerWaalsContact O-N 3.07Å; D897-K900 WeakPolarHBondContact OD1-CD 3.44Å; D897-K900 WeakPolarHBondContact OD1-CE 3.17Å; D897-K900 IonicContact OD1-NZ 3.17Å; D897-K900 PolarHBondContact OD1-NZ 2.87Å; D897-E901 WeakPolarHBondContact O-CG 3.26Å; D897-E901 PolarHBondContact O-N 2.85Å |
| 898 | R | 79.9 | Confident | 71.5 | Confident | 151 Ų | 151 | 111.2 Ų | 111.2 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53.7 | -43.5 | 166.4 | -174.2 | -168 | -69.2 | 152.4 | -0.9 | 111.9 | Q894 E895 E901 A902 | Q894-R898 WeakPolarHBondContact O-CB 3.49Å; Q894-R898 PolarHBondContact O-N 3.3Å; E895-R898 PolarHBondContact O-N 2.89Å; E895-R898 IonicContact OE1-CZ 2.78Å; E895-R898 IonicContact OE1-NE 3.89Å; E895-R898 IonicContact OE1-NH1 2.82Å; E895-R898 PolarHBondContact OE1-NH1 2.82Å; E895-R898 IonicContact OE2-CZ 3.14Å; E895-R898 IonicContact OE2-NH1 2.7Å; E895-R898 PolarHBondContact OE2-NH1 3.47Å; R898-E901 PolarHBondContact O-N 3.27Å; R898-A902 PolarHBondContact O-N 3.43Å; R898-A902 VanDerWaalsContact O-N 3.12Å |
| 899 | I | 70.3 | Confident | 70.4 | Confident | 96 Ų | 96 | 111.8 Ų | 111.8 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.6 | -69.7 | 164.9 | 0 | 0 | 0 | 111.5 | E895 V896 D897 E901 A902 V903 | E895-I899 HydrophobicContact CG-CD1 4.32Å; E895-I899 WeakPolarHBondContact O-CB 3.45Å; E895-I899 WeakPolarHBondContact O-CD1 3.46Å; E895-I899 VanDerWaalsContact O-CG1 3.24Å; E895-I899 WeakPolarHBondContact O-CG1 3.49Å; E895-I899 PolarHBondContact O-N 3.32Å; V896-I899 PolarHBondContact O-N 3.36Å; D897-I899 VanDerWaalsContact C-N 3.27Å; D897-I899 PolarHBondContact O-N 3.49Å; I899-E901 VanDerWaalsContact C-N 3.31Å; I899-E901 PolarHBondContact O-N 2.86Å; I899-A902 PolarHBondContact O-N 3.22Å; I899-V903 HydrophobicContact CG2-CG2 4.5Å; I899-V903 WeakPolarHBondContact O-CG2 3.31Å; I899-V903 PolarHBondContact O-N 2.93Å |
| 900 | K | 69.8 | Low | 69 | Low | 98 Ų | 98 | 114.5 Ų | 114.5 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 174.7 | -72.3 | 172.7 | -168 | 162 | 0 | 112.4 | V896 D897 R904 | V896-K900 WeakPolarHBondContact O-CG 3.46Å; V896-K900 PolarHBondContact O-N 3.35Å; D897-K900 WeakPolarHBondContact O-CB 3.42Å; D897-K900 PolarHBondContact O-N 2.93Å; D897-K900 VanDerWaalsContact O-N 3.07Å; D897-K900 WeakPolarHBondContact OD1-CD 3.44Å; D897-K900 WeakPolarHBondContact OD1-CE 3.17Å; D897-K900 IonicContact OD1-NZ 3.17Å; D897-K900 PolarHBondContact OD1-NZ 2.87Å; K900-R904 WeakPolarHBondContact O-CB 3.46Å; K900-R904 PolarHBondContact O-N 2.98Å |
| 901 | E | 73.4 | Confident | 67.3 | Low | 73 Ų | 73 | 119.2 Ų | 119.2 | 34% | 0.341 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -50.3 | 174.6 | -66.2 | -147.2 | 124.2 | 0 | 0 | 112 | R474 D897 R898 I899 V903 R904 A905 | R474-E901 IonicContact NH1-OE2 2.6Å; D897-E901 WeakPolarHBondContact O-CG 3.26Å; D897-E901 PolarHBondContact O-N 2.85Å; R898-E901 PolarHBondContact O-N 3.27Å; I899-E901 VanDerWaalsContact C-N 3.31Å; I899-E901 PolarHBondContact O-N 2.86Å; E901-V903 PolarHBondContact O-N 2.92Å; E901-R904 PolarHBondContact O-N 2.85Å; E901-A905 PolarHBondContact O-N 3.35Å |
| 902 | A | 69.4 | Low | 65.7 | Low | 64 Ų | 64 | 113.7 Ų | 113.7 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.1 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R898 I899 K906 | R898-A902 PolarHBondContact O-N 3.43Å; R898-A902 VanDerWaalsContact O-N 3.12Å; I899-A902 PolarHBondContact O-N 3.22Å; A902-K906 VanDerWaalsContact O-CB 3.29Å; A902-K906 WeakPolarHBondContact O-CB 3.18Å; A902-K906 PolarHBondContact O-N 3.44Å |
| 903 | V | 64.5 | Low | 64.6 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.9 | -38.6 | 174.1 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | I899 E901 K906 N907 | I899-V903 HydrophobicContact CG2-CG2 4.5Å; I899-V903 WeakPolarHBondContact O-CG2 3.31Å; I899-V903 PolarHBondContact O-N 2.93Å; E901-V903 PolarHBondContact O-N 2.92Å; V903-K906 PolarHBondContact O-N 3.02Å; V903-N907 WeakPolarHBondContact O-CB 3.36Å; V903-N907 PolarHBondContact O-N 2.8Å; V903-N907 PolarHBondContact O-ND2 2.89Å |
| 904 | R | 67.3 | Low | 62.6 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.6 | -50.6 | 174.5 | -92.7 | -175.6 | -75.7 | -179.8 | 0.5 | 111.5 | K900 E901 K906 N907 M908 | K900-R904 WeakPolarHBondContact O-CB 3.46Å; K900-R904 PolarHBondContact O-N 2.98Å; E901-R904 PolarHBondContact O-N 2.85Å; R904-K906 VanDerWaalsContact C-N 3.33Å; R904-K906 PolarHBondContact O-N 2.89Å; R904-N907 PolarHBondContact O-N 3.02Å; R904-N907 VanDerWaalsContact O-N 3.14Å; R904-M908 PolarHBondContact O-N 3.23Å |
| 905 | A | 65.4 | Low | 60.8 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.1 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E901 N907 M908 A909 | E901-A905 PolarHBondContact O-N 3.35Å; A905-N907 VanDerWaalsContact C-N 3.27Å; A905-N907 PolarHBondContact O-N 2.73Å; A905-M908 PolarHBondContact O-N 3Å; A905-A909 PolarHBondContact O-N 3.34Å |
| 906 | K | 59.3 | Low | 59 | Low | 166 Ų | 166 | 120.3 Ų | 120.3 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.8 | -24.7 | -180 | -159.8 | 166.5 | -169.6 | 168.7 | 0 | 113.9 | A902 V903 R904 | A902-K906 VanDerWaalsContact O-CB 3.29Å; A902-K906 WeakPolarHBondContact O-CB 3.18Å; A902-K906 PolarHBondContact O-N 3.44Å; V903-K906 PolarHBondContact O-N 3.02Å; R904-K906 VanDerWaalsContact C-N 3.33Å; R904-K906 PolarHBondContact O-N 2.89Å |
| 907 | N | 53.3 | Low | 57.2 | Low | 101 Ų | 101 | 125.4 Ų | 125.4 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -82.5 | -34.6 | 174.2 | -78.6 | -26.5 | 0 | 0 | 0 | 113.1 | V903 R904 A905 A909 R910 | V903-N907 WeakPolarHBondContact O-CB 3.36Å; V903-N907 PolarHBondContact O-N 2.8Å; V903-N907 PolarHBondContact O-ND2 2.89Å; R904-N907 PolarHBondContact O-N 3.02Å; R904-N907 VanDerWaalsContact O-N 3.14Å; A905-N907 VanDerWaalsContact C-N 3.27Å; A905-N907 PolarHBondContact O-N 2.73Å; N907-A909 VanDerWaalsContact C-N 3.33Å; N907-A909 PolarHBondContact O-N 2.97Å; N907-R910 PolarHBondContact O-N 2.9Å |
| 908 | M | 55.2 | Low | 55.7 | Low | 154 Ų | 154 | 127.3 Ų | 127.3 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.9 | -37.2 | 176.5 | -69.1 | -172.5 | 73.6 | 0 | 0 | 111.9 | R904 A905 R910 R911 | R904-M908 PolarHBondContact O-N 3.23Å; A905-M908 PolarHBondContact O-N 3Å; M908-R910 PolarHBondContact O-N 3.09Å; M908-R911 PolarHBondContact O-N 2.64Å; M908-R911 VanDerWaalsContact O-N 3.11Å |
| 909 | A | 55.1 | Low | 53.4 | Low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -10.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A905 N907 | A905-A909 PolarHBondContact O-N 3.34Å; N907-A909 VanDerWaalsContact C-N 3.33Å; N907-A909 PolarHBondContact O-N 2.97Å |
| 910 | R | 51.1 | Low | 52 | Low | 218 Ų | 218 | 130.8 Ų | 130.8 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | 176.8 | -82.9 | -175.8 | 163.2 | -168.9 | -6.2 | 115 | N907 M908 | N907-R910 PolarHBondContact O-N 2.9Å; M908-R910 PolarHBondContact O-N 3.09Å |
| 911 | R | 46.9 | Very low | 50.8 | Low | 243 Ų | 243 | 133.8 Ų | 133.8 | 92% | 0.917 | 72% | 0.719 | S | S | * | * | trans | -102.2 | 73.4 | 175 | -88.1 | -172.3 | 166.5 | -176.1 | -3.2 | 111.9 | M908 | M908-R911 PolarHBondContact O-N 2.64Å; M908-R911 VanDerWaalsContact O-N 3.11Å | ||
| 912 | G | 46.8 | Very low | 48.8 | Very low | 54 Ų | 54 | 141.8 Ų | 141.8 | 56% | 0.557 | 75% | 0.746 | S | S | * | * | trans | -134 | 143.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 913 | H | 51.9 | Low | 47.3 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 93% | 0.931 | 76% | 0.759 | S | S | * | * | trans | 71.7 | 83.4 | 171 | -49.2 | 94.9 | 0 | 0 | 0 | 118.1 | ||||
| 914 | S | 35.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -144.3 | 126 | 143.1 | 60.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 915 | A | 41.5 | Very low | 44.1 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -79.6 | 147.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 916 | Q | 34.9 | Very low | 42.7 | Very low | 199 Ų | 199 | 149 Ų | 149 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -86.3 | 128.1 | 169.7 | -69.5 | -176.6 | -13 | 0 | 0 | 110.4 | ||||
| 917 | I | 33.6 | Very low | 42.4 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -112.8 | 120.3 | 171.8 | -62.8 | 177 | 0 | 0 | 0 | 108.1 | ||||
| 918 | A | 43.4 | Very low | 41.4 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -75.3 | 152.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 919 | K | 33.5 | Very low | 40.3 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -136.5 | 156.9 | 168.2 | -80 | -167.6 | 175.5 | -179.6 | 0 | 110.8 | ||||
| 920 | P | 40.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 146 Ų | 146 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -97 | 167.3 | -144.4 | 36.6 | -37.7 | 0 | 0 | 0 | 116.5 | ||||
| 921 | I | 44.2 | Very low | 39.8 | Very low | 162 Ų | 162 | 141 Ų | 141 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 151.6 | -179.1 | -60.3 | 164.6 | 0 | 0 | 0 | 111.8 | ||||
| 922 | R | 32.1 | Very low | 39 | Very low | 240 Ų | 240 | 136.5 Ų | 136.5 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -125.6 | 155.8 | 154 | -94.5 | -163 | 174.3 | -150.4 | -0.6 | 111.2 | ||||
| 923 | P | 36.7 | Very low | 38.3 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -101.7 | 153.7 | -153.6 | 37.8 | -35.4 | 0 | 0 | 0 | 115.2 | ||||
| 924 | G | 34 | Very low | 38.2 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | 176.4 | 117.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 925 | Q | 32.1 | Very low | 37.9 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | 69.6 | 158.6 | 165.2 | -77.5 | -168 | -26.3 | 0 | 0 | 119.4 | ||||
| 926 | P | 36.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | trans | -119.2 | 173 | -140.9 | 41.6 | -30.1 | 0 | 0 | 0 | 116.1 | ||||
| 927 | P | 51.9 | Low | 37.1 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -102 | 141.5 | -169.1 | 37.3 | -33.3 | 0 | 0 | 0 | 115.9 | ||||
| 928 | A | 32.1 | Very low | 36.9 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -171.8 | 154.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 929 | A | 31.6 | Very low | 36.2 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | cis | -161.8 | 156.6 | -28.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 930 | S | 33.9 | Very low | 36.1 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | trans | -107.7 | 176.8 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 931 | P | 62.1 | Low | 35.5 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | -134.3 | 176.2 | -42.8 | 34.7 | -18.8 | 0 | 0 | 0 | 113.1 | ||||
| 932 | T | 31.1 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -166.3 | 157.4 | 148.8 | 2.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 933 | H | 32.7 | Very low | 34.7 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -104 | -175.6 | 173.3 | -71.9 | -92.6 | 0 | 0 | 0 | 110.4 | ||||
| 934 | P | 47.9 | Very low | 34.4 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | cis | -136.1 | 176.1 | -1.6 | 37.5 | -17.3 | 0 | 0 | 0 | 117.4 | ||||
| 935 | N | 30.4 | Very low | 34.3 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | 31.1 | 132 | 150.1 | -59.8 | -7.8 | 0 | 0 | 0 | 123.4 | ||||
| 936 | I | 29.4 | Very low | 34.3 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | 177.9 | 136.6 | 110.6 | -92 | 165.5 | 0 | 0 | 0 | 114.2 | |||||
| 937 | N | 29.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 12.1 | 144 | 160.3 | -71 | -27.4 | 0 | 0 | 0 | 126.6 | ||||
| 938 | R | 30.4 | Very low | 32.9 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | 89.4 | 102.8 | 134.2 | -90.2 | -177.1 | 179.7 | -177.1 | -0.5 | 122.6 | ||||
| 939 | S | 28.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 53.9 | 123.6 | 124.5 | 63 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 940 | G | 29.6 | Very low | 32.8 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 162.2 | 45.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 941 | G | 29.3 | Very low | 32.8 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 67.7 | 156.1 | 153 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 942 | G | 28.9 | Very low | 31.3 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 120.9 | 87.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 943 | F | 30 | Very low | 31.3 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | 62.7 | 160.2 | 141.7 | -84.9 | -88.2 | 0 | 0 | 0 | 123.6 | ||||
| 944 | Y | 29.8 | Very low | 31.3 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | 74.8 | 100.4 | 162.3 | -75.3 | -70.2 | 0 | 0 | 0 | 122.7 | ||||
| 945 | Q | 32.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | 68.8 | 135.4 | 123.3 | -92.4 | -177.4 | -20.7 | 0 | 0 | 124.1 | |||||
| 946 | N | 31.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | 55.1 | 117.3 | 138.2 | -64.6 | -3.6 | 0 | 0 | 0 | 121.4 | ||||
| 947 | S | 27.9 | Very low | 30.4 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | -148.8 | 150.9 | 107.8 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 948 | Q | 30.2 | Very low | 31.1 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 159.8 | -174 | -75.5 | -179.2 | -12.6 | 0 | 0 | 113 | ||
| 949 | P | 32.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 134.2 | 162.5 | 28.9 | -35.1 | 0 | 0 | 0 | 110.9 | A951 | P949-A951 PolarHBondContact O-N 2.86Š|
| 950 | V | 30.1 | Very low | 32.1 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 117.7 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 951 | A | 34.8 | Very low | 32 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 149.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P949 | P949-A951 PolarHBondContact O-N 2.86Š|
| 952 | I | 30.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -127.1 | 104.3 | 157.5 | -73.9 | -178.6 | 0 | 0 | 0 | 104.4 | ||||
| 953 | R | 30.8 | Very low | 32.8 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | 49.9 | 131.1 | 85.9 | -75 | -173.8 | 169.9 | -169.2 | -1.5 | 112.2 | |||||
| 954 | G | 31.4 | Very low | 32.9 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | 157 | 179.4 | 5.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 955 | G | 29.9 | Very low | 33.1 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 88.3 | 110 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 956 | G | 31.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 138.9 Ų | 138.9 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | cis | 98.4 | 98.3 | -5.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 957 | S | 28.5 | Very low | 33.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -149.1 | 87 | 169.8 | 36.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 958 | K | 44.1 | Very low | 33.5 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -68.8 | 164.3 | 142.5 | -85.7 | -174.2 | 176.3 | -173 | 0 | 107.8 | ||||
| 959 | P | 51.1 | Low | 33.8 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -111.7 | -175.6 | 25.9 | 43.6 | -32 | 0 | 0 | 0 | 112.6 | ||||
| 960 | D | 28.9 | Very low | 33.9 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 60% | 0.599 | 82% | 0.823 | S | S | * | * | cis | -155.6 | 154.5 | 33.5 | -147.7 | 3.9 | 0 | 0 | 0 | 115.3 | ||||
| 961 | K | 28.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 36.3 | 91.5 | 158.3 | -71 | 151.9 | -163 | 148.5 | 0 | 120 | ||||
| 962 | N | 40.5 | Very low | 34.2 | Very low | 234 Ų | 234 | 142.7 Ų | 142.7 | 100% | 1.251 | 83% | 0.83 | S | S | * | * | 172.1 | 0 | 92.2 | -89.8 | -0.5 | 0 | 0 | 0 | 110.2 |
Retrieved 962 of 962 residues in 195.4 ms
(Link to these results)