| 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 | 32.3 | Very low | 60.6 | Low | 244 Ų | 244 | 120.7 Ų | 120.7 | 100% | 1.202 | 63% | 0.626 | S | S | * | * | 0 | 117.7 | 0 | -71.9 | 170.9 | 168.9 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 3.14Š| |||
| 2 | S | 29 | Very low | 62.2 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | trans | -82.5 | 99.9 | 169.9 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | V4 | S2-V4 PolarHBondContact O-N 2.98Š| ||
| 3 | K | 38.6 | Very low | 63.3 | Low | 165 Ų | 165 | 109.1 Ų | 109.1 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.8 | 158.3 | -74.9 | -175.1 | 177 | -178.3 | 0 | 106.4 | M1 | M1-K3 PolarHBondContact O-N 3.14Š|
| 4 | V | 39.7 | Very low | 64.2 | Low | 131 Ų | 131 | 111.7 Ų | 111.7 | 79% | 0.794 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 133.8 | 173.9 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | S2 A6 | S2-V4 PolarHBondContact O-N 2.98Å; V4-A6 PolarHBondContact O-N 3.23Å; V4-A6 VanDerWaalsContact O-N 3.12Å |
| 5 | P | 53.4 | Low | 65 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 75% | 0.747 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 122 | 177.3 | 23.8 | -33.5 | 0 | 0 | 0 | 108.9 | K7 | P5-K7 PolarHBondContact O-N 3.5Š|
| 6 | A | 64.7 | Low | 65.8 | Low | 50 Ų | 50 | 104 Ų | 104 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 125.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V4 F8 | V4-A6 PolarHBondContact O-N 3.23Å; V4-A6 VanDerWaalsContact O-N 3.12Å; A6-F8 PolarHBondContact O-N 3.08Å |
| 7 | K | 76.2 | Confident | 66.2 | Low | 203 Ų | 203 | 100.6 Ų | 100.6 | 88% | 0.883 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 127.6 | 176.3 | -71.1 | -176.5 | 177.1 | 179.2 | 0 | 109 | P5 | P5-K7 PolarHBondContact O-N 3.5Š|
| 8 | F | 81.4 | Confident | 66.8 | Low | 48 Ų | 48 | 97.5 Ų | 97.5 | 21% | 0.211 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 140.8 | 166.9 | -75.3 | -99.5 | 0 | 0 | 0 | 109.2 | A6 C28 R30 Y326 A338 E340 | A6-F8 PolarHBondContact O-N 3.08Å; F8-C28 HydrophobicContact CD1-CB 4.11Å; F8-C28 HydrophobicContact CE1-CB 4.41Å; F8-C28 HydrophobicContact CG-CB 4.38Å; F8-R30 HydrophobicContact CB-CB 4.24Å; F8-Y326 HydrophobicContact CZ-CE1 4.14Å; F8-A338 HydrophobicContact CE1-CB 3.79Å; F8-A338 HydrophobicContact CZ-CB 4.01Å; F8-E340 HydrophobicContact CD1-CB 4.3Å; F8-E340 HydrophobicContact CE1-CB 3.98Å |
| 9 | Y | 84.9 | Confident | 67.2 | Low | 142 Ų | 142 | 92.4 Ų | 92.4 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.1 | 166.7 | -177.4 | -93.1 | 0 | 0 | 0 | 108.8 | M11 R26 C28 T29 R30 | Y9-M11 PolarHBondContact O-N 3.17Å; Y9-R26 HydrophobicContact CD1-CG 4.41Å; Y9-R26 HydrophobicContact CD2-CG 4.49Å; Y9-R26 HydrophobicContact CG-CG 4.12Å; Y9-C28 PolarHBondContact N-O 3.4Å; Y9-T29 CarbonylContact O-C 3.54Å; Y9-T29 WeakPolarHBondContact O-CA 3.27Å; Y9-R30 PolarHBondContact O-N 3.45Å |
| 10 | E | 83.1 | Confident | 67.7 | Low | 91 Ų | 91 | 89 Ų | 89 | 43% | 0.425 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 107.8 | -176.9 | -57.1 | -163.5 | 139.5 | 0 | 0 | 110.3 | E12 R30 V32 | E10-E12 PolarHBondContact O-N 2.81Å; E10-R30 HydrophobicContact CG-CB 4.33Å; E10-R30 VanDerWaalsContact OE1-CD 3.32Å; E10-R30 WeakPolarHBondContact OE1-CD 3.49Å; E10-R30 IonicContact OE1-CZ 3.8Å; E10-R30 IonicContact OE1-NE 2.96Å; E10-R30 IonicContact OE1-NH1 3.44Å; E10-R30 PolarHBondContact OE1-NH1 3.5Å; E10-V32 HydrophobicContact CB-CG2 4.42Å |
| 11 | M | 83.2 | Confident | 68.6 | Low | 18 Ų | 18 | 85.7 Ų | 85.7 | 9% | 0.089 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 90.8 | 168.3 | -179.6 | 179.7 | -76.8 | 0 | 0 | 107.9 | Y9 L13 K22 A23 I24 T29 R30 V32 F389 | Y9-M11 PolarHBondContact O-N 3.17Å; M11-L13 HydrophobicContact CG-CG 4.49Å; M11-K22 HydrophobicContact CE-CB 3.91Å; M11-K22 HydrophobicContact CE-CD 4.34Å; M11-K22 HydrophobicContact CG-CD 3.92Å; M11-K22 HydrophobicContact SD-CB 3.89Å; M11-K22 HydrophobicContact SD-CD 3.9Å; M11-K22 HydrophobicContact SD-CG 4.45Å; M11-A23 VanDerWaalsContact CE-O 3.28Å; M11-A23 WeakPolarHBondContact CE-O 3.32Å; M11-I24 HydrophobicContact CE-CG1 3.93Å; M11-T29 HydrophobicContact CB-CG2 3.67Å; M11-T29 HydrophobicContact CE-CG2 4.41Å; M11-R30 PolarHBondContact N-O 3.23Å; M11-V32 PolarHBondContact O-N 3.12Å; M11-F389 HydrophobicContact SD-CD1 4.06Å |
| 12 | E | 80.2 | Confident | 71.4 | Confident | 86 Ų | 86 | 77.8 Ų | 77.8 | 40% | 0.402 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 141.9 | 172.3 | -57.4 | -163.8 | 142.7 | 0 | 0 | 111.3 | E10 K22 K34 | E10-E12 PolarHBondContact O-N 2.81Å; E12-K22 PolarHBondContact O-NZ 2.72Å; E12-K34 VanDerWaalsContact CD-CE 3.4Å; E12-K34 WeakPolarHBondContact OE1-CE 3.43Å; E12-K34 IonicContact OE1-NZ 2.66Å; E12-K34 PolarHBondContact OE1-NZ 2.65Å; E12-K34 WeakPolarHBondContact OE2-CE 3.04Å; E12-K34 IonicContact OE2-NZ 2.61Å; E12-K34 PolarHBondContact OE2-NZ 2.67Å |
| 13 | L | 76.5 | Confident | 74.1 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 118.4 | -178.1 | -66.1 | 159.6 | 0 | 0 | 0 | 107.7 | M11 K22 V31 V32 L33 K34 F389 Y391 | M11-L13 HydrophobicContact CG-CG 4.49Å; L13-K22 HydrophobicContact CD2-CD 3.76Å; L13-K22 HydrophobicContact CD2-CG 4.26Å; L13-V31 HydrophobicContact CD1-CG1 3.6Å; L13-V32 PolarHBondContact N-O 2.78Å; L13-L33 HydrophobicContact CB-CD1 3.86Å; L13-L33 HydrophobicContact CD1-CD1 3.92Å; L13-K34 PolarHBondContact O-N 3.28Å; L13-F389 HydrophobicContact CD1-CD1 4.37Å; L13-F389 HydrophobicContact CD1-CE1 3.34Å; L13-F389 HydrophobicContact CD1-CZ 3.62Å; L13-F389 HydrophobicContact CD2-CE1 4.02Å; L13-F389 HydrophobicContact CG-CE1 4.32Å; L13-Y391 HydrophobicContact CB-CE1 4.39Å; L13-Y391 HydrophobicContact CD1-CD1 4.35Å; L13-Y391 HydrophobicContact CD1-CE1 4.36Å; L13-Y391 HydrophobicContact CD2-CE1 4.24Å |
| 14 | E | 76 | Confident | 76.5 | Confident | 146 Ų | 146 | 65.8 Ų | 65.8 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 149 | 163.5 | -60.5 | -161.3 | 129.6 | 0 | 0 | 109.5 | D16 Y391 | E14-D16 PolarHBondContact O-N 3.48Å; E14-Y391 PolarHBondContact O-OH 2.89Å |
| 15 | Y | 76 | Confident | 78.6 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 17% | 0.169 | 33% | 0.33 | C | S | . | . | trans | -71.8 | 106.1 | -179.7 | 177.2 | -96.8 | 0 | 0 | 0 | 111.5 | P17 L33 K34 N35 Q37 P39 C393 | Y15-P17 HydrophobicContact CE1-CG 4.03Å; Y15-L33 HydrophobicContact CD2-CD2 4.11Å; Y15-K34 WeakPolarHBondContact CB-O 3.46Å; Y15-K34 PolarHBondContact N-O 2.99Å; Y15-N35 WeakPolarHBondContact CB-O 3.37Å; Y15-Q37 HydrophobicContact CE1-CB 4.4Å; Y15-Q37 WeakPolarHBondContact CE2-O 3.48Å; Y15-Q37 PolarHBondContact OH-O 2.97Å; Y15-P39 WeakPolarHBondContact OH-CA 3.45Å; Y15-P39 WeakPolarHBondContact OH-CG 3.39Å; Y15-C393 WeakPolarHBondContact CE2-SG 3.48Å | ||
| 16 | D | 77.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 31% | 0.305 | 32% | 0.315 | S | S | . | . | trans | -104.5 | 116.9 | 173.4 | 172.6 | 17.3 | 0 | 0 | 0 | 109.8 | E14 D18 G19 Y391 C393 | E14-D16 PolarHBondContact O-N 3.48Å; D16-D18 PolarHBondContact O-N 3.47Å; D16-D18 PolarHBondContact OD1-N 2.92Å; D16-G19 PolarHBondContact O-N 2.95Å; D16-G19 VanDerWaalsContact O-N 3.15Å; D16-G19 PolarHBondContact OD2-N 2.97Å; D16-Y391 PolarHBondContact N-OH 3.43Å; D16-C393 PolarHBondContact O-SG 2.9Å; D16-C393 VanDerWaalsContact O-SG 3.39Å | ||
| 17 | P | 73 | Confident | 81.1 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.5 | 174.8 | -24.7 | 35.1 | 0 | 0 | 0 | 114.8 | Y15 C43 | Y15-P17 HydrophobicContact CE1-CG 4.03Å; P17-C43 WeakPolarHBondContact O-CA 3.5Å |
| 18 | D | 77.5 | Confident | 81.6 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.2 | 178.7 | -69.3 | -61.5 | 0 | 0 | 0 | 113.5 | D16 K41 C43 S44 K45 | D16-D18 PolarHBondContact O-N 3.47Å; D16-D18 PolarHBondContact OD1-N 2.92Å; D18-K41 IonicContact OD1-NZ 3.61Å; D18-K41 PolarHBondContact OD1-NZ 2.85Å; D18-K41 IonicContact OD2-NZ 2.64Å; D18-K41 PolarHBondContact OD2-NZ 2.75Å; D18-C43 PolarHBondContact O-SG 3.39Å; D18-S44 VanDerWaalsContact OD1-CB 3.31Å; D18-S44 WeakPolarHBondContact OD1-CB 3.49Å; D18-S44 PolarHBondContact OD1-N 3.4Å; D18-S44 PolarHBondContact OD1-OG 2.79Å; D18-K45 WeakPolarHBondContact O-CD 3.39Å; D18-K45 WeakPolarHBondContact O-CE 3.46Å; D18-K45 PolarHBondContact O-NZ 2.82Å |
| 19 | G | 74.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | 74.4 | 104.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D16 K45 Y391 | D16-G19 PolarHBondContact O-N 2.95Å; D16-G19 VanDerWaalsContact O-N 3.15Å; D16-G19 PolarHBondContact OD2-N 2.97Å; G19-K45 PolarHBondContact O-NZ 3.36Å; G19-Y391 WeakPolarHBondContact CA-O 3.3Å | ||
| 20 | A | 77 | Confident | 82 | Confident | 25 Ų | 25 | 49 Ų | 49 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | trans | -80.2 | 152.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A390 Y391 | A20-A390 WeakPolarHBondContact O-CA 3.43Å; A20-Y391 HydrophobicContact CB-CE1 3.77Å; A20-Y391 PolarHBondContact O-N 3.28Å; A20-Y391 VanDerWaalsContact O-N 3.08Å | ||
| 21 | S | 86.8 | Confident | 82.2 | Confident | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 142.7 | 178.6 | 154.9 | 0 | 0 | 0 | 0 | 108.7 | H388 F389 E445 A447 | S21-H388 PolarHBondContact OG-CE1 2.86Å; S21-H388 PolarHBondContact OG-NE2 2.83Å; S21-F389 CarbonylContact C-O 3.6Å; S21-F389 WeakPolarHBondContact CA-O 3.37Å; S21-E445 WeakPolarHBondContact CB-O 3.43Å; S21-E445 PolarHBondContact OG-O 3.07Å; S21-A447 WeakPolarHBondContact O-CB 3.48Å; S21-A447 PolarHBondContact OG-N 3.02Å |
| 22 | K | 89.3 | Confident | 82.3 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 34% | 0.335 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 139.7 | 179.5 | -70.2 | -165.1 | 175.9 | -176.4 | 0 | 111.7 | M11 E12 L13 H388 F389 | M11-K22 HydrophobicContact CE-CB 3.91Å; M11-K22 HydrophobicContact CE-CD 4.34Å; M11-K22 HydrophobicContact CG-CD 3.92Å; M11-K22 HydrophobicContact SD-CB 3.89Å; M11-K22 HydrophobicContact SD-CD 3.9Å; M11-K22 HydrophobicContact SD-CG 4.45Å; E12-K22 PolarHBondContact O-NZ 2.72Å; L13-K22 HydrophobicContact CD2-CD 3.76Å; L13-K22 HydrophobicContact CD2-CG 4.26Å; K22-H388 VanDerWaalsContact C-CE1 3.48Å; K22-H388 PolarHBondContact O-CE1 2.99Å; K22-H388 PolarHBondContact O-ND1 3.45Å; K22-F389 PolarHBondContact N-O 2.83Å; K22-F389 PolarHBondContact O-N 3.29Å; K22-F389 VanDerWaalsContact O-O 3.12Å |
| 23 | A | 87.4 | Confident | 82.1 | Confident | 32 Ų | 32 | 42.6 Ų | 42.6 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 143.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M11 P449 | M11-A23 VanDerWaalsContact CE-O 3.28Å; M11-A23 WeakPolarHBondContact CE-O 3.32Å; A23-P449 HydrophobicContact CB-CB 4.4Å |
| 24 | I | 88.6 | Confident | 82.1 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | trans | -100.2 | 107.8 | 170.4 | -65.5 | 172.5 | 0 | 0 | 0 | 107.5 | M11 R26 F375 R385 F386 C387 F389 | M11-I24 HydrophobicContact CE-CG1 3.93Å; I24-R26 VanDerWaalsContact CG2-O 3.29Å; I24-R26 WeakPolarHBondContact CG2-O 3.44Å; I24-F375 HydrophobicContact CD1-CD1 4.26Å; I24-R385 VanDerWaalsContact O-CZ 3.25Å; I24-R385 PolarHBondContact O-NH1 2.79Å; I24-R385 PolarHBondContact O-NH2 2.93Å; I24-F386 HydrophobicContact CD1-CB 3.81Å; I24-F386 WeakPolarHBondContact CG2-O 3.34Å; I24-C387 PolarHBondContact N-O 3.32Å; I24-F389 HydrophobicContact CD1-CB 3.79Å; I24-F389 HydrophobicContact CG1-CB 4.11Å | ||
| 25 | S | 83.2 | Confident | 81.8 | Confident | 74 Ų | 74 | 45 Ų | 45 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | trans | -86.4 | -42.3 | 174.7 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | R385 | S25-R385 PolarHBondContact O-NH1 3.49Š| ||
| 26 | R | 85.2 | Confident | 81.2 | Confident | 118 Ų | 118 | 44.8 Ų | 44.8 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -82 | 159 | -175.2 | -54 | -64 | 157.2 | 164.2 | -12.6 | 112.5 | Y9 I24 E452 | Y9-R26 HydrophobicContact CD1-CG 4.41Å; Y9-R26 HydrophobicContact CD2-CG 4.49Å; Y9-R26 HydrophobicContact CG-CG 4.12Å; I24-R26 VanDerWaalsContact CG2-O 3.29Å; I24-R26 WeakPolarHBondContact CG2-O 3.44Å; R26-E452 IonicContact CZ-OE1 2.72Å; R26-E452 IonicContact NE-OE1 3.82Å; R26-E452 IonicContact NH2-OE1 2.68Å; R26-E452 PolarHBondContact NH2-OE1 2.96Å; R26-E452 IonicContact NH2-OE2 2.62Å; R26-E452 PolarHBondContact NH2-OE2 3.32Å |
| 27 | S | 85.3 | Confident | 80.6 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -80.7 | -30.9 | -178.2 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | S337 A338 | S27-S337 CarbonylContact O-C 3.48Å; S27-S337 WeakPolarHBondContact O-CA 3.47Å; S27-S337 WeakPolarHBondContact O-CB 3.38Å; S27-S337 PolarHBondContact O-OG 3.37Å; S27-A338 PolarHBondContact O-N 3.38Å |
| 28 | C | 87.2 | Confident | 80 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 108.7 | -178.2 | -54.1 | 0 | 0 | 0 | 0 | 109 | F8 Y9 R335 A338 | F8-C28 HydrophobicContact CD1-CB 4.11Å; F8-C28 HydrophobicContact CE1-CB 4.41Å; F8-C28 HydrophobicContact CG-CB 4.38Å; Y9-C28 PolarHBondContact N-O 3.4Å; C28-R335 PolarHBondContact SG-NH2 2.7Å; C28-A338 CarbonylContact C-O 3.59Å; C28-A338 WeakPolarHBondContact CA-O 3.37Å; C28-A338 HydrophobicContact CB-CB 4.48Å |
| 29 | T | 88.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.3 | -170.6 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | Y9 M11 A338 V339 E340 | Y9-T29 CarbonylContact O-C 3.54Å; Y9-T29 WeakPolarHBondContact O-CA 3.27Å; M11-T29 HydrophobicContact CB-CG2 3.67Å; M11-T29 HydrophobicContact CE-CG2 4.41Å; T29-A338 PolarHBondContact N-O 2.88Å; T29-V339 CarbonylContact O-C 3.58Å; T29-V339 VanDerWaalsContact O-CA 3.27Å; T29-V339 WeakPolarHBondContact O-CA 3.41Å; T29-E340 PolarHBondContact O-N 3.36Å |
| 30 | R | 87.4 | Confident | 78.3 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.1 | 171.8 | -178.3 | -177.5 | -71.7 | 167 | -12 | 109.2 | F8 Y9 E10 M11 V32 E340 P342 | F8-R30 HydrophobicContact CB-CB 4.24Å; Y9-R30 PolarHBondContact O-N 3.45Å; E10-R30 HydrophobicContact CG-CB 4.33Å; E10-R30 VanDerWaalsContact OE1-CD 3.32Å; E10-R30 WeakPolarHBondContact OE1-CD 3.49Å; E10-R30 IonicContact OE1-CZ 3.8Å; E10-R30 IonicContact OE1-NE 2.96Å; E10-R30 IonicContact OE1-NH1 3.44Å; E10-R30 PolarHBondContact OE1-NH1 3.5Å; M11-R30 PolarHBondContact N-O 3.23Å; R30-V32 HydrophobicContact CG-CG2 3.84Å; R30-E340 CarbonylContact C-O 3.58Å; R30-E340 WeakPolarHBondContact CA-O 3.45Å; R30-E340 HydrophobicContact CB-CB 4.42Å; R30-E340 HydrophobicContact CG-CB 4.27Å; R30-E340 HydrophobicContact CG-CG 4.43Å; R30-E340 IonicContact CZ-OE1 3.57Å; R30-E340 IonicContact CZ-OE2 3.14Å; R30-E340 IonicContact NE-OE1 2.75Å; R30-E340 IonicContact NE-OE2 3.61Å; R30-E340 PolarHBondContact NE-OE2 3.39Å; R30-E340 IonicContact NH2-OE1 3.62Å; R30-E340 PolarHBondContact NH2-OE1 3.3Å; R30-E340 IonicContact NH2-OE2 2.7Å; R30-E340 PolarHBondContact NH2-OE2 3.38Å; R30-P342 HydrophobicContact CG-CG 4.09Å |
| 31 | V | 87.2 | Confident | 77.8 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 98.1 | -175 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | L13 V339 E340 I341 P342 F375 F389 | L13-V31 HydrophobicContact CD1-CG1 3.6Å; V31-V339 HydrophobicContact CG2-CG1 4.23Å; V31-E340 PolarHBondContact N-O 3.03Å; V31-I341 HydrophobicContact CB-CG1 4.44Å; V31-P342 WeakPolarHBondContact O-CD 3.49Å; V31-F375 HydrophobicContact CG2-CE1 4.14Å; V31-F375 HydrophobicContact CG2-CZ 4.28Å; V31-F389 HydrophobicContact CG1-CE1 4.32Å; V31-F389 HydrophobicContact CG1-CE2 3.82Å; V31-F389 HydrophobicContact CG1-CZ 3.62Å; V31-F389 HydrophobicContact CG2-CE2 4.47Å |
| 32 | V | 83.8 | Confident | 76.7 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 103.5 | -173.7 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | E10 M11 L13 R30 K34 P342 | E10-V32 HydrophobicContact CB-CG2 4.42Å; M11-V32 PolarHBondContact O-N 3.12Å; L13-V32 PolarHBondContact N-O 2.78Å; R30-V32 HydrophobicContact CG-CG2 3.84Å; V32-K34 PolarHBondContact O-N 2.73Å; V32-P342 HydrophobicContact CG2-CG 4.42Å |
| 33 | L | 77 | Confident | 76.1 | Confident | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 113.3 | 174 | -138.3 | 87.4 | 0 | 0 | 0 | 110.5 | L13 Y15 A36 L371 Y391 | L13-L33 HydrophobicContact CB-CD1 3.86Å; L13-L33 HydrophobicContact CD1-CD1 3.92Å; Y15-L33 HydrophobicContact CD2-CD2 4.11Å; L33-A36 HydrophobicContact CD2-CB 4.03Å; L33-L371 HydrophobicContact CD2-CD1 3.56Å; L33-Y391 HydrophobicContact CD1-CD1 4.14Å; L33-Y391 HydrophobicContact CD1-CE1 3.91Å |
| 34 | K | 75.7 | Confident | 75.7 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 35% | 0.348 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 146.4 | 174.2 | -75.3 | -176 | 171 | 173 | 0 | 111 | E12 L13 Y15 V32 A36 | E12-K34 VanDerWaalsContact CD-CE 3.4Å; E12-K34 WeakPolarHBondContact OE1-CE 3.43Å; E12-K34 IonicContact OE1-NZ 2.66Å; E12-K34 PolarHBondContact OE1-NZ 2.65Å; E12-K34 WeakPolarHBondContact OE2-CE 3.04Å; E12-K34 IonicContact OE2-NZ 2.61Å; E12-K34 PolarHBondContact OE2-NZ 2.67Å; L13-K34 PolarHBondContact O-N 3.28Å; Y15-K34 WeakPolarHBondContact CB-O 3.46Å; Y15-K34 PolarHBondContact N-O 2.99Å; V32-K34 PolarHBondContact O-N 2.73Å; K34-A36 PolarHBondContact O-N 2.87Å |
| 35 | N | 69 | Low | 75.5 | Confident | 120 Ų | 120 | 63.8 Ų | 63.8 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 55.9 | 32.9 | 175 | -53.4 | -30.8 | 0 | 0 | 0 | 114.1 | Y15 Q37 | Y15-N35 WeakPolarHBondContact CB-O 3.37Å; N35-Q37 PolarHBondContact O-N 2.64Å; N35-Q37 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 64.1 | Low | 75.5 | Confident | 40 Ų | 40 | 61 Ų | 61 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | trans | -55.8 | 114.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L33 K34 L369 | L33-A36 HydrophobicContact CD2-CB 4.03Å; K34-A36 PolarHBondContact O-N 2.87Å; A36-L369 HydrophobicContact CB-CD2 4.39Å | ||
| 37 | Q | 64.5 | Low | 75.7 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | trans | -116.9 | 155.7 | 173.2 | -68 | -169.1 | 8.8 | 0 | 0 | 109.9 | Y15 N35 | Y15-Q37 HydrophobicContact CE1-CB 4.4Å; Y15-Q37 WeakPolarHBondContact CE2-O 3.48Å; Y15-Q37 PolarHBondContact OH-O 2.97Å; N35-Q37 PolarHBondContact O-N 2.64Å; N35-Q37 VanDerWaalsContact O-N 3.08Å | ||
| 38 | V | 60.7 | Low | 75.8 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 65% | 0.648 | 33% | 0.326 | S | S | * | . | trans | -60.9 | 128.9 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | L40 | V38-L40 PolarHBondContact O-N 2.72Š| ||
| 39 | P | 60.6 | Low | 75.9 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | trans | -56 | 118.8 | -179.7 | -27.8 | 34.8 | 0 | 0 | 0 | 114.1 | Y15 K41 Q370 C393 L394 | Y15-P39 WeakPolarHBondContact OH-CA 3.45Å; Y15-P39 WeakPolarHBondContact OH-CG 3.39Å; P39-K41 VanDerWaalsContact C-N 3.3Å; P39-K41 WeakPolarHBondContact CB-O 3.39Å; P39-Q370 HydrophobicContact CG-CB 4.3Å; P39-C393 HydrophobicContact CB-CB 4.39Å; P39-C393 HydrophobicContact CG-CB 4.12Å; P39-L394 WeakPolarHBondContact CG-O 3.44Å | ||
| 40 | L | 57.1 | Low | 75.9 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 87% | 0.869 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -80.1 | -11.6 | 173.7 | -74.5 | 168.6 | 0 | 0 | 0 | 113.4 | V38 | V38-L40 PolarHBondContact O-N 2.72Š|
| 41 | K | 65.2 | Low | 75.8 | Confident | 88 Ų | 88 | 66.1 Ų | 66.1 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -151 | 161.4 | 174.9 | 57 | 162.3 | -178.9 | 168 | 0 | 109.1 | D18 P39 | D18-K41 IonicContact OD1-NZ 3.61Å; D18-K41 PolarHBondContact OD1-NZ 2.85Å; D18-K41 IonicContact OD2-NZ 2.64Å; D18-K41 PolarHBondContact OD2-NZ 2.75Å; P39-K41 VanDerWaalsContact C-N 3.3Å; P39-K41 WeakPolarHBondContact CB-O 3.39Å |
| 42 | D | 64 | Low | 75.6 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | trans | -64.1 | 149.7 | 159.1 | -73.9 | -63.8 | 0 | 0 | 0 | 110.3 | S44 F395 | D42-S44 PolarHBondContact O-N 2.76Å; D42-F395 HydrophobicContact CB-CB 4.41Å; D42-F395 VanDerWaalsContact OD1-CB 3.28Å; D42-F395 WeakPolarHBondContact OD1-CB 3.25Å; D42-F395 PolarHBondContact OD1-N 3.21Å; D42-F395 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 43 | C | 77.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | trans | -58 | 126.6 | 166.5 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | P17 D18 K45 V46 V392 C393 | P17-C43 WeakPolarHBondContact O-CA 3.5Å; D18-C43 PolarHBondContact O-SG 3.39Å; C43-K45 PolarHBondContact O-N 3.25Å; C43-V46 HydrophobicContact CB-CG2 4.46Å; C43-V46 PolarHBondContact O-N 2.8Å; C43-V392 HydrophobicContact CB-CG1 4.12Å; C43-C393 HydrophobicContact CB-CB 4.41Å; C43-C393 WeakPolarHBondContact CB-O 3.46Å; C43-C393 PolarHBondContact N-O 2.89Å | ||
| 44 | S | 79.1 | Confident | 75.4 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.3 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | D18 D42 V46 | D18-S44 VanDerWaalsContact OD1-CB 3.31Å; D18-S44 WeakPolarHBondContact OD1-CB 3.49Å; D18-S44 PolarHBondContact OD1-N 3.4Å; D18-S44 PolarHBondContact OD1-OG 2.79Å; D42-S44 PolarHBondContact O-N 2.76Å; S44-V46 PolarHBondContact O-N 3.05Å |
| 45 | K | 82.9 | Confident | 75.2 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 21% | 0.213 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0 | 175.4 | -61.7 | 174.3 | -170.3 | 165.9 | 0 | 113.5 | D18 G19 C43 N443 I444 | D18-K45 WeakPolarHBondContact O-CD 3.39Å; D18-K45 WeakPolarHBondContact O-CE 3.46Å; D18-K45 PolarHBondContact O-NZ 2.82Å; G19-K45 PolarHBondContact O-NZ 3.36Å; C43-K45 PolarHBondContact O-N 3.25Å; K45-N443 VanDerWaalsContact CB-O 3.27Å; K45-N443 WeakPolarHBondContact CB-O 3.41Å; K45-N443 PolarHBondContact O-N 3.11Å; K45-I444 HydrophobicContact CB-CG1 4.27Å; K45-I444 HydrophobicContact CD-CG2 4.26Å |
| 46 | V | 85.1 | Confident | 75.7 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.6 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | C43 S44 V392 L440 T441 L442 | C43-V46 HydrophobicContact CB-CG2 4.46Å; C43-V46 PolarHBondContact O-N 2.8Å; S44-V46 PolarHBondContact O-N 3.05Å; V46-V392 HydrophobicContact CB-CG1 4.39Å; V46-V392 HydrophobicContact CG2-CB 4.38Å; V46-V392 HydrophobicContact CG2-CG1 3.48Å; V46-V392 VanDerWaalsContact CG2-CG1 3.48Å; V46-V392 HydrophobicContact CG2-CG2 3.93Å; V46-L440 HydrophobicContact CG1-CB 4.29Å; V46-T441 WeakPolarHBondContact CA-O 3.47Å; V46-L442 HydrophobicContact CB-CD2 4.22Å; V46-L442 HydrophobicContact CG1-CD2 3.93Å; V46-L442 HydrophobicContact CG2-CD2 3.39Å |
| 47 | V | 88.6 | Confident | 76.2 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 58% | 0.582 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.7 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L440 T441 | V47-L440 WeakPolarHBondContact O-CA 3.41Å; V47-T441 PolarHBondContact N-O 2.8Å; V47-T441 PolarHBondContact O-N 3.41Å |
| 48 | S | 87.8 | Confident | 76.9 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 43% | 0.427 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.7 | 177.3 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | S439 | S48-S439 CarbonylContact C-O 3.52Å; S48-S439 WeakPolarHBondContact CA-O 3.42Å |
| 49 | E | 88.6 | Confident | 77.7 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.4 | 167.6 | 176.5 | 172.5 | -134.8 | 0 | 0 | 110.8 | L51 K95 L438 S439 | E49-L51 PolarHBondContact O-N 3.01Å; E49-K95 IonicContact OE1-NZ 2.75Å; E49-K95 PolarHBondContact OE1-NZ 3.32Å; E49-K95 IonicContact OE2-NZ 2.63Å; E49-K95 PolarHBondContact OE2-NZ 2.9Å; E49-L438 CarbonylContact O-C 3.6Å; E49-L438 VanDerWaalsContact O-CA 3.27Å; E49-L438 WeakPolarHBondContact O-CA 3.1Å; E49-S439 PolarHBondContact N-O 2.64Å; E49-S439 PolarHBondContact O-N 2.99Å |
| 50 | L | 88 | Confident | 78.2 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116.3 | 176.4 | -179.5 | 63.2 | 0 | 0 | 0 | 111.5 | N52 S436 L438 | L50-N52 WeakPolarHBondContact CD1-O 3.45Å; L50-S436 WeakPolarHBondContact CD1-OG 3.42Å; L50-L438 HydrophobicContact CD1-CD2 4.1Å |
| 51 | L | 85.5 | Confident | 79.3 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -39.7 | 173.3 | -63.3 | 178.4 | 0 | 0 | 0 | 112.2 | E49 I90 I430 L437 | E49-L51 PolarHBondContact O-N 3.01Å; L51-I90 HydrophobicContact CB-CD1 4.34Å; L51-I430 HydrophobicContact CD1-CD1 4.27Å; L51-I430 HydrophobicContact CD1-CG1 4.48Å; L51-I430 HydrophobicContact CD1-CG2 4Å; L51-L437 HydrophobicContact CB-CB 4.44Å; L51-L437 HydrophobicContact CB-CD2 4.02Å; L51-L437 HydrophobicContact CB-CG 4.11Å; L51-L437 WeakPolarHBondContact CB-O 3.16Å; L51-L437 HydrophobicContact CD1-CD2 4.31Å; L51-L437 HydrophobicContact CD1-CG 4.27Å; L51-L437 PolarHBondContact N-O 3.42Å |
| 52 | N | 83.7 | Confident | 80.3 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 10% | 0.096 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 160.2 | 173.8 | -155.6 | 8.1 | 0 | 0 | 0 | 112.1 | L50 Y54 Y77 R97 S436 L437 | L50-N52 WeakPolarHBondContact CD1-O 3.45Å; N52-Y54 WeakPolarHBondContact ND2-CE2 3.45Å; N52-Y77 PolarHBondContact ND2-OH 2.97Å; N52-R97 VanDerWaalsContact CG-NH1 3.32Å; N52-R97 PolarHBondContact ND2-NH1 3.26Å; N52-R97 PolarHBondContact OD1-NH1 3Å; N52-S436 CarbonylContact O-C 3.42Å; N52-S436 WeakPolarHBondContact O-CA 3.27Å; N52-L437 HydrophobicContact CB-CB 4.37Å; N52-L437 PolarHBondContact N-O 3.43Å; N52-L437 PolarHBondContact O-N 2.85Å |
| 53 | T | 78.5 | Confident | 81.5 | Confident | 53 Ų | 53 | 57 Ų | 57 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.8 | -178.4 | -46.8 | 0 | 0 | 0 | 0 | 110.6 | K435 A900 | T53-K435 CarbonylContact C-O 3.59Å; T53-K435 WeakPolarHBondContact CA-O 3.42Å; T53-K435 VanDerWaalsContact CG2-O 3.27Å; T53-K435 WeakPolarHBondContact CG2-O 3.41Å; T53-A900 HydrophobicContact CG2-CB 4.3Å |
| 54 | Y | 77.9 | Confident | 82.2 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | trans | -152.6 | 157.1 | 175 | -74.5 | -53.4 | 0 | 0 | 0 | 110.6 | N52 W56 Y77 F79 R88 K435 E904 | N52-Y54 WeakPolarHBondContact ND2-CE2 3.45Å; Y54-W56 HydrophobicContact CD2-CH2 4.17Å; Y54-W56 HydrophobicContact CG-CH2 4.46Å; Y54-W56 VanDerWaalsContact O-CZ3 3.27Å; Y54-W56 WeakPolarHBondContact O-CZ3 3.35Å; Y54-Y77 HydrophobicContact CD2-CE2 4.1Å; Y54-Y77 AromaticContact CE2-CE2 3.99Å; Y54-Y77 HydrophobicContact CE2-CE2 3.99Å; Y54-F79 AromaticContact CD1-CD2 3.6Å; Y54-F79 HydrophobicContact CD1-CD2 3.6Å; Y54-F79 AromaticContact CD1-CE2 3.78Å; Y54-F79 HydrophobicContact CD1-CE2 3.78Å; Y54-F79 HydrophobicContact CD1-CG 4.27Å; Y54-F79 HydrophobicContact CD2-CB 3.87Å; Y54-F79 AromaticContact CD2-CD1 3.81Å; Y54-F79 HydrophobicContact CD2-CD1 3.81Å; Y54-F79 AromaticContact CD2-CD2 3.72Å; Y54-F79 HydrophobicContact CD2-CD2 3.72Å; Y54-F79 HydrophobicContact CD2-CE1 4.26Å; Y54-F79 HydrophobicContact CD2-CE2 4.17Å; Y54-F79 AromaticContact CD2-CG 3.52Å; Y54-F79 HydrophobicContact CD2-CG 3.52Å; Y54-F79 HydrophobicContact CD2-CZ 4.42Å; Y54-F79 AromaticContact CE1-CD2 3.77Å; Y54-F79 HydrophobicContact CE1-CD2 3.77Å; Y54-F79 AromaticContact CE1-CE2 3.44Å; Y54-F79 HydrophobicContact CE1-CE2 3.44Å; Y54-F79 VanDerWaalsContact CE1-CE2 3.44Å; Y54-F79 AromaticContact CE1-CZ 3.93Å; Y54-F79 HydrophobicContact CE1-CZ 3.93Å; Y54-F79 AromaticContact CE2-CD1 3.65Å; Y54-F79 HydrophobicContact CE2-CD1 3.65Å; Y54-F79 AromaticContact CE2-CD2 3.85Å; Y54-F79 HydrophobicContact CE2-CD2 3.85Å; Y54-F79 AromaticContact CE2-CE1 3.63Å; Y54-F79 HydrophobicContact CE2-CE1 3.63Å; Y54-F79 AromaticContact CE2-CE2 3.83Å; Y54-F79 HydrophobicContact CE2-CE2 3.83Å; Y54-F79 AromaticContact CE2-CG 3.76Å; Y54-F79 HydrophobicContact CE2-CG 3.76Å; Y54-F79 AromaticContact CE2-CZ 3.71Å; Y54-F79 HydrophobicContact CE2-CZ 3.71Å; Y54-F79 HydrophobicContact CG-CB 4.03Å; Y54-F79 AromaticContact CG-CD2 3.6Å; Y54-F79 HydrophobicContact CG-CD2 3.6Å; Y54-F79 HydrophobicContact CG-CE2 4.16Å; Y54-F79 AromaticContact CG-CG 3.81Å; Y54-F79 HydrophobicContact CG-CG 3.81Å; Y54-F79 AromaticContact CZ-CD2 3.9Å; Y54-F79 AromaticContact CZ-CE1 3.88Å; Y54-F79 AromaticContact CZ-CE2 3.47Å; Y54-F79 VanDerWaalsContact CZ-CE2 3.47Å; Y54-F79 AromaticContact CZ-CZ 3.45Å; Y54-F79 VanDerWaalsContact CZ-CZ 3.45Å; Y54-R88 PolarHBondContact OH-NH1 2.81Å; Y54-K435 CarbonylContact C-O 3.44Å; Y54-K435 PolarHBondContact N-O 2.97Å; Y54-K435 CarbonylContact O-C 3.58Å; Y54-K435 WeakPolarHBondContact O-CA 3.33Å; Y54-E904 WeakPolarHBondContact CE1-OE1 3.45Å | ||
| 55 | A | 71.7 | Confident | 83 | Confident | 72 Ų | 72 | 55.6 Ų | 55.6 | 60% | 0.595 | 29% | 0.293 | S | S | * | . | trans | -83.6 | 129.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 56 | W | 78.9 | Confident | 83.6 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | trans | -124.5 | 148.6 | 169 | -72.7 | -92.2 | 0 | 0 | 0 | 110.5 | Y54 R58 Y77 A78 F79 I399 I432 N433 P434 S436 L437 | Y54-W56 HydrophobicContact CD2-CH2 4.17Å; Y54-W56 HydrophobicContact CG-CH2 4.46Å; Y54-W56 VanDerWaalsContact O-CZ3 3.27Å; Y54-W56 WeakPolarHBondContact O-CZ3 3.35Å; W56-R58 PolarHBondContact O-N 3.05Å; W56-Y77 HydrophobicContact CZ2-CD2 4.23Å; W56-A78 PolarHBondContact NE1-O 2.91Å; W56-F79 HydrophobicContact CZ2-CB 3.73Å; W56-I399 HydrophobicContact CB-CD1 3.78Å; W56-I432 HydrophobicContact CB-CG2 4.11Å; W56-I432 HydrophobicContact CD2-CG2 3.34Å; W56-I432 HydrophobicContact CE3-CG2 3.77Å; W56-I432 HydrophobicContact CG-CG2 3.52Å; W56-I432 HydrophobicContact CH2-CG1 4.42Å; W56-I432 HydrophobicContact CH2-CG2 4.43Å; W56-I432 HydrophobicContact CZ2-CD1 3.91Å; W56-I432 HydrophobicContact CZ2-CG1 4Å; W56-I432 HydrophobicContact CZ2-CG2 4.07Å; W56-I432 HydrophobicContact CZ3-CG2 4.29Å; W56-N433 VanDerWaalsContact CE3-O 3.25Å; W56-P434 PolarHBondContact N-O 3.1Å; W56-P434 WeakPolarHBondContact O-CA 3.38Å; W56-S436 VanDerWaalsContact CZ3-C 3.42Å; W56-L437 HydrophobicContact CH2-CB 4Å | ||
| 57 | E | 74.2 | Confident | 84.1 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | trans | -70.5 | 127.9 | 175.7 | -66.5 | -177.6 | -133.2 | 0 | 0 | 110.7 | K59 R80 I399 | E57-K59 HydrophobicContact CB-CD 4.43Å; E57-K59 PolarHBondContact O-N 3.46Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.39Å; E57-K59 PolarHBondContact OE2-NZ 3.34Å; E57-R80 IonicContact OE1-NH1 2.81Å; E57-R80 PolarHBondContact OE1-NH1 3.45Å; E57-I399 VanDerWaalsContact O-CD1 3.28Å; E57-I399 WeakPolarHBondContact O-CD1 3.29Å | ||
| 58 | R | 79 | Confident | 84.4 | Confident | 122 Ų | 122 | 49.2 Ų | 49.2 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -70.6 | 74.8 | 173.8 | -171.7 | -170.3 | 173.6 | 166.2 | 4.6 | 110.9 | W56 V367 Q368 P397 P434 | W56-R58 PolarHBondContact O-N 3.05Å; R58-V367 HydrophobicContact CG-CG1 3.72Å; R58-V367 PolarHBondContact NE-O 3.4Å; R58-V367 PolarHBondContact NH2-O 3.3Å; R58-Q368 PolarHBondContact NH2-O 3.11Å; R58-P397 HydrophobicContact CG-CG 3.91Å; R58-P434 HydrophobicContact CB-CG 3.96Å; R58-P434 HydrophobicContact CG-CG 4.17Å |
| 59 | K | 77.2 | Confident | 84.6 | Confident | 122 Ų | 122 | 46.3 Ų | 46.3 | 53% | 0.53 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -145.6 | 135.6 | 176.3 | -64.4 | 172.9 | -177.8 | 163.5 | 0 | 108.4 | E57 Q61 I399 | E57-K59 HydrophobicContact CB-CD 4.43Å; E57-K59 PolarHBondContact O-N 3.46Å; E57-K59 WeakPolarHBondContact OE2-CE 3.49Å; E57-K59 IonicContact OE2-NZ 3.39Å; E57-K59 PolarHBondContact OE2-NZ 3.34Å; K59-Q61 PolarHBondContact O-N 3.47Å; K59-Q61 PolarHBondContact O-NE2 2.78Å; K59-I399 WeakPolarHBondContact O-CG2 3.4Å |
| 60 | C | 72.9 | Confident | 84.5 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 25% | 0.25 | 23% | 0.232 | C | C | . | . | trans | -54.8 | 137.6 | 165.8 | -84.5 | 0 | 0 | 0 | 0 | 110 | N350 S352 V367 | C60-N350 PolarHBondContact SG-O 3.42Å; C60-S352 PolarHBondContact SG-OG 3.29Å; C60-S352 VanDerWaalsContact SG-OG 3.41Å; C60-V367 WeakPolarHBondContact SG-CG2 3.43Å | ||
| 61 | Q | 80.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.164 | 22% | 0.224 | C | C | . | . | trans | -97.8 | 150.9 | 177.6 | -56.6 | -60.9 | -54 | 0 | 0 | 109.6 | K59 G63 L65 I399 | K59-Q61 PolarHBondContact O-N 3.47Å; K59-Q61 PolarHBondContact O-NE2 2.78Å; Q61-G63 WeakPolarHBondContact CB-O 3.47Å; Q61-L65 HydrophobicContact CG-CD1 3.81Å; Q61-L65 HydrophobicContact CG-CG 4.06Å; Q61-I399 HydrophobicContact CG-CG2 3.81Å | ||
| 62 | I | 84.3 | Confident | 84.5 | Confident | 88 Ų | 88 | 46 Ų | 46 | 45% | 0.451 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -75.1 | -33.8 | 174.6 | -60.7 | 175.6 | 0 | 0 | 0 | 110.2 | G160 Y161 L163 | I62-G160 VanDerWaalsContact CD1-O 3.24Å; I62-G160 WeakPolarHBondContact CD1-O 3.35Å; I62-Y161 HydrophobicContact CG2-CD1 3.42Å; I62-Y161 VanDerWaalsContact CG2-CD1 3.42Å; I62-Y161 HydrophobicContact CG2-CE1 3.81Å; I62-Y161 HydrophobicContact CG2-CG 4.24Å; I62-L163 HydrophobicContact CG2-CD1 4.33Å; I62-L163 HydrophobicContact CG2-CD2 4.44Å |
| 63 | G | 89.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 9% | 0.093 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -107.3 | -164.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q61 V108 L163 | Q61-G63 WeakPolarHBondContact CB-O 3.47Å; G63-V108 CarbonylContact C-O 3.54Å; G63-V108 VanDerWaalsContact CA-O 3.26Å; G63-V108 WeakPolarHBondContact CA-O 3.48Å; G63-L163 VanDerWaalsContact CA-CD2 3.49Å |
| 64 | Q | 93 | Very high | 85.5 | Confident | 44 Ų | 44 | 48.1 Ų | 48.1 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | trans | -112.4 | 128.7 | -178 | -69.7 | 178.2 | -28.5 | 0 | 0 | 109.9 | V108 H109 I110 F354 | Q64-V108 PolarHBondContact N-O 3.29Å; Q64-H109 PolarHBondContact N-ND1 3.39Å; Q64-H109 VanDerWaalsContact N-ND1 3.19Å; Q64-H109 CarbonylContact O-C 3.58Å; Q64-H109 VanDerWaalsContact O-CA 3.31Å; Q64-H109 WeakPolarHBondContact O-CA 3.45Å; Q64-I110 PolarHBondContact O-N 2.9Å; Q64-F354 HydrophobicContact CG-CE1 4.24Å | ||
| 65 | L | 94.8 | Very high | 86.3 | Confident | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -95.7 | -0.9 | 176.4 | -59.2 | -176.1 | 0 | 0 | 0 | 113.1 | Q61 Y77 A78 V107 S400 I432 | Q61-L65 HydrophobicContact CG-CD1 3.81Å; Q61-L65 HydrophobicContact CG-CG 4.06Å; L65-Y77 CarbonylContact O-C 3.48Å; L65-Y77 WeakPolarHBondContact O-CA 3.5Å; L65-Y77 WeakPolarHBondContact O-CB 3.36Å; L65-A78 HydrophobicContact CB-CB 4.42Å; L65-A78 HydrophobicContact CD2-CB 4.09Å; L65-A78 PolarHBondContact O-N 2.95Å; L65-V107 WeakPolarHBondContact CD2-O 3.43Å; L65-S400 PolarHBondContact N-OG 3.22Å; L65-I432 HydrophobicContact CB-CD1 3.78Å; L65-I432 WeakPolarHBondContact O-CD1 3.41Å |
| 66 | V | 95.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 141.5 | 173.5 | 58.8 | 0 | 0 | 0 | 0 | 109.2 | C75 A76 I430 I432 L437 | V66-C75 WeakPolarHBondContact CG2-SG 3.43Å; V66-A76 CarbonylContact C-O 3.58Å; V66-A76 WeakPolarHBondContact CA-O 3.45Å; V66-I430 HydrophobicContact CG2-CG2 3.96Å; V66-I432 HydrophobicContact CB-CD1 3.79Å; V66-I432 HydrophobicContact CB-CG1 4.22Å; V66-I432 HydrophobicContact CG1-CD1 4.16Å; V66-I432 HydrophobicContact CG1-CG1 4.31Å; V66-L437 HydrophobicContact CG2-CD1 4.2Å |
| 67 | S | 96 | Very high | 88.3 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 144.4 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | A76 W112 D402 | S67-A76 PolarHBondContact N-O 3.08Å; S67-A76 PolarHBondContact O-N 3.18Å; S67-W112 VanDerWaalsContact C-CD1 3.5Å; S67-W112 PolarHBondContact O-NE1 3.24Å; S67-D402 VanDerWaalsContact CA-OD2 3.28Å; S67-D402 WeakPolarHBondContact CA-OD2 3.28Å |
| 68 | I | 94.7 | Very high | 89.3 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.8 | -173.6 | -57.7 | 169.4 | 0 | 0 | 0 | 109.1 | K72 C75 D402 K404 I430 | I68-K72 HydrophobicContact CG2-CD 4.17Å; I68-C75 HydrophobicContact CG1-CB 4.34Å; I68-D402 HydrophobicContact CD1-CB 3.99Å; I68-D402 HydrophobicContact CG1-CB 4.01Å; I68-D402 PolarHBondContact N-OD2 3.44Å; I68-K404 HydrophobicContact CD1-CB 3.9Å; I68-I430 HydrophobicContact CD1-CB 4.04Å; I68-I430 HydrophobicContact CD1-CD1 3.85Å; I68-I430 HydrophobicContact CD1-CG1 3.83Å; I68-I430 HydrophobicContact CG1-CD1 4.08Å; I68-I430 HydrophobicContact CG1-CG1 4.49Å |
| 69 | H | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -68.1 | 153 | 177.5 | -175.7 | -123.6 | 0 | 0 | 0 | 111.2 | N71 K72 L74 W112 S115 | H69-N71 PolarHBondContact ND1-ND2 3.09Å; H69-N71 PolarHBondContact ND1-OD1 3.29Å; H69-N71 VanDerWaalsContact ND1-OD1 3.13Å; H69-N71 PolarHBondContact O-N 3.18Å; H69-K72 WeakPolarHBondContact O-CA 3.38Å; H69-K72 PolarHBondContact O-N 3.34Å; H69-L74 HydrophobicContact CB-CB 3.84Å; H69-L74 WeakPolarHBondContact CB-O 3.29Å; H69-L74 PolarHBondContact N-O 3.36Å; H69-W112 HydrophobicContact CB-CD2 3.67Å; H69-W112 HydrophobicContact CB-CE3 3.94Å; H69-W112 HydrophobicContact CB-CG 3.98Å; H69-W112 HydrophobicContact CB-CH2 4.44Å; H69-W112 HydrophobicContact CB-CZ2 4.21Å; H69-W112 HydrophobicContact CB-CZ3 4.33Å; H69-W112 AromaticContact CD2-CD2 3.92Å; H69-W112 AromaticContact CD2-CE3 3.53Å; H69-W112 AromaticContact CG-CE3 3.91Å; H69-S115 PolarHBondContact NE2-O 3.35Å | ||
| 70 | R | 86.4 | Confident | 90.2 | Very high | 90 Ų | 90 | 32 Ų | 32 | 34% | 0.34 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31.1 | -178.3 | -169.7 | 176.1 | -177 | -169.4 | -1.2 | 113.8 | K72 Y114 L116 | R70-K72 PolarHBondContact O-N 3.13Å; R70-Y114 VanDerWaalsContact CD-O 3.23Å; R70-Y114 WeakPolarHBondContact CD-O 3.47Å; R70-Y114 PolarHBondContact NH1-O 3.16Å; R70-Y114 VanDerWaalsContact NH1-O 3.15Å; R70-L116 HydrophobicContact CB-CD2 4.11Å; R70-L116 HydrophobicContact CG-CD2 4.21Å |
| 71 | N | 84.2 | Confident | 90.3 | Very high | 63 Ų | 63 | 31.7 Ų | 31.7 | 34% | 0.337 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -0.1 | 176.1 | 76.6 | 3.5 | 0 | 0 | 0 | 115.4 | H69 R73 L74 L116 | H69-N71 PolarHBondContact ND1-ND2 3.09Å; H69-N71 PolarHBondContact ND1-OD1 3.29Å; H69-N71 VanDerWaalsContact ND1-OD1 3.13Å; H69-N71 PolarHBondContact O-N 3.18Å; N71-R73 PolarHBondContact O-N 2.86Å; N71-R73 PolarHBondContact OD1-N 3.2Å; N71-L74 PolarHBondContact OD1-N 3.36Å; N71-L116 HydrophobicContact CB-CD2 4.37Å |
| 72 | K | 88.7 | Confident | 89.8 | Confident | 56 Ų | 56 | 36 Ų | 36 | 24% | 0.243 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 55.5 | 7.6 | -179.9 | -49.8 | -59 | -174.1 | 161.9 | 0 | 116 | I68 H69 R70 S357 I403 K404 | I68-K72 HydrophobicContact CG2-CD 4.17Å; H69-K72 WeakPolarHBondContact O-CA 3.38Å; H69-K72 PolarHBondContact O-N 3.34Å; R70-K72 PolarHBondContact O-N 3.13Å; K72-S357 PolarHBondContact NZ-OG 3.42Å; K72-I403 PolarHBondContact NZ-O 3.05Å; K72-K404 HydrophobicContact CB-CG 4.08Å; K72-K404 HydrophobicContact CD-CG 4.34Å; K72-K404 WeakPolarHBondContact CD-O 3.4Å; K72-K404 WeakPolarHBondContact CE-O 3.38Å; K72-K404 PolarHBondContact NZ-O 3.14Å; K72-K404 WeakPolarHBondContact O-CE 3.48Å |
| 73 | R | 88.8 | Confident | 89.1 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 39% | 0.392 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -97.6 | -39.4 | 176.5 | -65.7 | -175.7 | -173.4 | -174.3 | 4.5 | 112.5 | N71 N91 V92 E181 | N71-R73 PolarHBondContact O-N 2.86Å; N71-R73 PolarHBondContact OD1-N 3.2Å; R73-N91 CarbonylContact O-C 3.33Å; R73-N91 WeakPolarHBondContact O-CA 3.48Å; R73-V92 PolarHBondContact O-N 3.17Å; R73-E181 IonicContact CZ-OE1 3.21Å; R73-E181 IonicContact NH1-OE1 2.71Å; R73-E181 PolarHBondContact NH1-OE1 3Å; R73-E181 IonicContact NH2-OE1 2.64Å; R73-E181 PolarHBondContact NH2-OE1 3.42Å |
| 74 | L | 94 | Very high | 88.6 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.4 | 179.4 | -61.7 | 174.4 | 0 | 0 | 0 | 110.9 | H69 N71 V89 N91 W112 P119 V135 P143 | H69-L74 HydrophobicContact CB-CB 3.84Å; H69-L74 WeakPolarHBondContact CB-O 3.29Å; H69-L74 PolarHBondContact N-O 3.36Å; N71-L74 PolarHBondContact OD1-N 3.36Å; L74-V89 HydrophobicContact CB-CG1 4.25Å; L74-V89 HydrophobicContact CD2-CG1 4.06Å; L74-N91 HydrophobicContact CD2-CB 4.31Å; L74-W112 HydrophobicContact CB-CH2 3.92Å; L74-W112 HydrophobicContact CB-CZ2 3.9Å; L74-W112 HydrophobicContact CD1-CH2 4.02Å; L74-W112 HydrophobicContact CD1-CZ3 4.42Å; L74-P119 HydrophobicContact CD1-CB 4.03Å; L74-P119 HydrophobicContact CD1-CG 4.24Å; L74-V135 HydrophobicContact CD1-CG1 4.16Å; L74-P143 HydrophobicContact CD2-CB 4.21Å |
| 75 | C | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 127.7 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | V66 I68 V89 I90 V92 I430 | V66-C75 WeakPolarHBondContact CG2-SG 3.43Å; I68-C75 HydrophobicContact CG1-CB 4.34Å; C75-V89 CarbonylContact O-C 3.54Å; C75-V89 VanDerWaalsContact O-CA 3.3Å; C75-V89 WeakPolarHBondContact O-CA 3.3Å; C75-I90 HydrophobicContact CB-CG2 3.91Å; C75-I90 PolarHBondContact N-O 3.03Å; C75-I90 PolarHBondContact O-N 3.01Å; C75-V92 HydrophobicContact CB-CG2 3.58Å; C75-I430 HydrophobicContact CB-CD1 3.96Å |
| 76 | A | 97 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V66 S67 R88 V89 I110 W112 V121 | V66-A76 CarbonylContact C-O 3.58Å; V66-A76 WeakPolarHBondContact CA-O 3.45Å; S67-A76 PolarHBondContact N-O 3.08Å; S67-A76 PolarHBondContact O-N 3.18Å; A76-R88 WeakPolarHBondContact CA-O 3.35Å; A76-V89 HydrophobicContact CB-CG2 3.97Å; A76-I110 HydrophobicContact CB-CG2 3.97Å; A76-W112 HydrophobicContact CB-CZ2 3.74Å; A76-V121 HydrophobicContact CB-CG2 3.79Å |
| 77 | Y | 96.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.6 | 174.9 | 58.8 | -84.2 | 0 | 0 | 0 | 112.6 | N52 Y54 W56 L65 F79 V87 R88 I90 L437 | N52-Y77 PolarHBondContact ND2-OH 2.97Å; Y54-Y77 HydrophobicContact CD2-CE2 4.1Å; Y54-Y77 AromaticContact CE2-CE2 3.99Å; Y54-Y77 HydrophobicContact CE2-CE2 3.99Å; W56-Y77 HydrophobicContact CZ2-CD2 4.23Å; L65-Y77 CarbonylContact O-C 3.48Å; L65-Y77 WeakPolarHBondContact O-CA 3.5Å; L65-Y77 WeakPolarHBondContact O-CB 3.36Å; Y77-F79 HydrophobicContact CD2-CD1 4.23Å; Y77-F79 HydrophobicContact CE2-CD1 4.04Å; Y77-V87 WeakPolarHBondContact O-CA 3.06Å; Y77-R88 HydrophobicContact CE1-CB 4.22Å; Y77-R88 HydrophobicContact CE2-CB 4.03Å; Y77-R88 PolarHBondContact N-O 2.86Å; Y77-R88 PolarHBondContact O-N 3.07Å; Y77-I90 HydrophobicContact CD1-CG2 4.32Å; Y77-I90 HydrophobicContact CE1-CB 4.11Å; Y77-I90 HydrophobicContact CE1-CG2 3.86Å; Y77-L437 HydrophobicContact CD1-CD2 3.56Å; Y77-L437 HydrophobicContact CD2-CD2 4.36Å; Y77-L437 HydrophobicContact CE1-CD2 3.53Å; Y77-L437 HydrophobicContact CE2-CD2 4.33Å; Y77-L437 HydrophobicContact CG-CD2 3.98Å |
| 78 | A | 94.5 | Very high | 88.2 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 142.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | W56 L65 F86 V87 V107 I110 | W56-A78 PolarHBondContact NE1-O 2.91Å; L65-A78 HydrophobicContact CB-CB 4.42Å; L65-A78 HydrophobicContact CD2-CB 4.09Å; L65-A78 PolarHBondContact O-N 2.95Å; A78-F86 VanDerWaalsContact CA-O 3.28Å; A78-F86 WeakPolarHBondContact CA-O 3.03Å; A78-V87 HydrophobicContact CB-CG2 4.35Å; A78-V107 HydrophobicContact CB-CB 3.87Å; A78-V107 HydrophobicContact CB-CG1 3.79Å; A78-V107 HydrophobicContact CB-CG2 4.45Å; A78-I110 HydrophobicContact CB-CD1 3.68Å; A78-I110 VanDerWaalsContact N-CD1 3.28Å |
| 79 | F | 91 | Very high | 88.3 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 154.4 | 165.7 | 67.8 | -81.7 | 0 | 0 | 0 | 109.5 | Y54 W56 Y77 F86 R88 P100 | Y54-F79 AromaticContact CD1-CD2 3.6Å; Y54-F79 HydrophobicContact CD1-CD2 3.6Å; Y54-F79 AromaticContact CD1-CE2 3.78Å; Y54-F79 HydrophobicContact CD1-CE2 3.78Å; Y54-F79 HydrophobicContact CD1-CG 4.27Å; Y54-F79 HydrophobicContact CD2-CB 3.87Å; Y54-F79 AromaticContact CD2-CD1 3.81Å; Y54-F79 HydrophobicContact CD2-CD1 3.81Å; Y54-F79 AromaticContact CD2-CD2 3.72Å; Y54-F79 HydrophobicContact CD2-CD2 3.72Å; Y54-F79 HydrophobicContact CD2-CE1 4.26Å; Y54-F79 HydrophobicContact CD2-CE2 4.17Å; Y54-F79 AromaticContact CD2-CG 3.52Å; Y54-F79 HydrophobicContact CD2-CG 3.52Å; Y54-F79 HydrophobicContact CD2-CZ 4.42Å; Y54-F79 AromaticContact CE1-CD2 3.77Å; Y54-F79 HydrophobicContact CE1-CD2 3.77Å; Y54-F79 AromaticContact CE1-CE2 3.44Å; Y54-F79 HydrophobicContact CE1-CE2 3.44Å; Y54-F79 VanDerWaalsContact CE1-CE2 3.44Å; Y54-F79 AromaticContact CE1-CZ 3.93Å; Y54-F79 HydrophobicContact CE1-CZ 3.93Å; Y54-F79 AromaticContact CE2-CD1 3.65Å; Y54-F79 HydrophobicContact CE2-CD1 3.65Å; Y54-F79 AromaticContact CE2-CD2 3.85Å; Y54-F79 HydrophobicContact CE2-CD2 3.85Å; Y54-F79 AromaticContact CE2-CE1 3.63Å; Y54-F79 HydrophobicContact CE2-CE1 3.63Å; Y54-F79 AromaticContact CE2-CE2 3.83Å; Y54-F79 HydrophobicContact CE2-CE2 3.83Å; Y54-F79 AromaticContact CE2-CG 3.76Å; Y54-F79 HydrophobicContact CE2-CG 3.76Å; Y54-F79 AromaticContact CE2-CZ 3.71Å; Y54-F79 HydrophobicContact CE2-CZ 3.71Å; Y54-F79 HydrophobicContact CG-CB 4.03Å; Y54-F79 AromaticContact CG-CD2 3.6Å; Y54-F79 HydrophobicContact CG-CD2 3.6Å; Y54-F79 HydrophobicContact CG-CE2 4.16Å; Y54-F79 AromaticContact CG-CG 3.81Å; Y54-F79 HydrophobicContact CG-CG 3.81Å; Y54-F79 AromaticContact CZ-CD2 3.9Å; Y54-F79 AromaticContact CZ-CE1 3.88Å; Y54-F79 AromaticContact CZ-CE2 3.47Å; Y54-F79 VanDerWaalsContact CZ-CE2 3.47Å; Y54-F79 AromaticContact CZ-CZ 3.45Å; Y54-F79 VanDerWaalsContact CZ-CZ 3.45Å; W56-F79 HydrophobicContact CZ2-CB 3.73Å; Y77-F79 HydrophobicContact CD2-CD1 4.23Å; Y77-F79 HydrophobicContact CE2-CD1 4.04Å; F79-F86 HydrophobicContact CD1-CB 3.98Å; F79-F86 HydrophobicContact CD2-CB 4.31Å; F79-F86 HydrophobicContact CD2-CD2 4.47Å; F79-F86 HydrophobicContact CE1-CB 3.46Å; F79-F86 VanDerWaalsContact CE1-CB 3.46Å; F79-F86 HydrophobicContact CE1-CG 4.39Å; F79-F86 HydrophobicContact CE2-CB 3.85Å; F79-F86 AromaticContact CE2-CD2 3.82Å; F79-F86 HydrophobicContact CE2-CD2 3.82Å; F79-F86 HydrophobicContact CE2-CG 4.09Å; F79-F86 HydrophobicContact CG-CB 4.38Å; F79-F86 HydrophobicContact CZ-CB 3.4Å; F79-F86 VanDerWaalsContact CZ-CB 3.4Å; F79-F86 HydrophobicContact CZ-CD2 4.05Å; F79-F86 AromaticContact CZ-CG 3.84Å; F79-F86 HydrophobicContact CZ-CG 3.84Å; F79-F86 PolarHBondContact N-O 3.16Å; F79-F86 PolarHBondContact O-N 3.35Å; F79-R88 HydrophobicContact CE1-CB 4.15Å; F79-P100 HydrophobicContact CE1-CB 4Å; F79-P100 HydrophobicContact CZ-CB 3.76Å |
| 80 | R | 83.5 | Confident | 88.3 | Confident | 89 Ų | 89 | 34.3 Ų | 34.3 | 34% | 0.336 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.6 | -174.5 | 178.2 | 173.2 | -175.4 | -168.4 | 14 | 110.2 | E57 | E57-R80 IonicContact OE1-NH1 2.81Å; E57-R80 PolarHBondContact OE1-NH1 3.45Å |
| 81 | T | 75.4 | Confident | 88.6 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | trans | -84.3 | 170.5 | 163.5 | 67 | 0 | 0 | 0 | 0 | 109.7 | V83 S84 F86 | T81-V83 PolarHBondContact O-N 2.78Å; T81-V83 PolarHBondContact OG1-N 3.4Å; T81-S84 PolarHBondContact N-O 3.19Å; T81-S84 PolarHBondContact OG1-N 2.78Å; T81-S84 PolarHBondContact OG1-O 3.15Å; T81-S84 PolarHBondContact OG1-OG 3.32Å; T81-F86 HydrophobicContact CG2-CD2 3.93Å; T81-F86 HydrophobicContact CG2-CE2 3.64Å | ||
| 82 | K | 70 | Confident | 88.8 | Confident | 125 Ų | 125 | 28.5 Ų | 28.5 | 54% | 0.543 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -53.1 | -27.9 | 175.7 | -64.8 | 170.8 | -179.5 | 178.8 | 0 | 113.1 | P919 | K82-P919 HydrophobicContact CD-CB 3.91Å; K82-P919 HydrophobicContact CD-CG 4.42Å; K82-P919 HydrophobicContact CG-CB 4.32Å |
| 83 | V | 70 | Confident | 88.7 | Confident | 65 Ų | 65 | 32.2 Ų | 32.2 | 39% | 0.394 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -105.3 | -45.4 | -171.4 | -155.6 | 0 | 0 | 0 | 0 | 112.7 | T81 E917 | T81-V83 PolarHBondContact O-N 2.78Å; T81-V83 PolarHBondContact OG1-N 3.4Å; V83-E917 HydrophobicContact CG1-CB 4.21Å; V83-E917 HydrophobicContact CG1-CG 4Å; V83-E917 HydrophobicContact CG2-CB 4.03Å |
| 84 | S | 78.5 | Confident | 88.6 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | trans | -141 | 151.1 | -168.5 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | T81 F86 | T81-S84 PolarHBondContact N-O 3.19Å; T81-S84 PolarHBondContact OG1-N 2.78Å; T81-S84 PolarHBondContact OG1-O 3.15Å; T81-S84 PolarHBondContact OG1-OG 3.32Å; S84-F86 WeakPolarHBondContact OG-CE2 3.05Å; S84-F86 VanDerWaalsContact OG-CZ 3.28Å; S84-F86 WeakPolarHBondContact OG-CZ 3.13Å | ||
| 85 | S | 89.7 | Confident | 88.2 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 146.3 | 169.1 | -154.5 | 0 | 0 | 0 | 0 | 110 | I103 N105 V107 | S85-I103 PolarHBondContact O-N 3.48Å; S85-N105 WeakPolarHBondContact CB-O 3.14Å; S85-V107 PolarHBondContact OG-N 3.42Å |
| 86 | F | 92.5 | Very high | 87.9 | Confident | 25 Ų | 25 | 37 Ų | 37 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.2 | 175.5 | -69.7 | -82.7 | 0 | 0 | 0 | 110.2 | A78 F79 T81 S84 P100 T101 P102 | A78-F86 VanDerWaalsContact CA-O 3.28Å; A78-F86 WeakPolarHBondContact CA-O 3.03Å; F79-F86 HydrophobicContact CD1-CB 3.98Å; F79-F86 HydrophobicContact CD2-CB 4.31Å; F79-F86 HydrophobicContact CD2-CD2 4.47Å; F79-F86 HydrophobicContact CE1-CB 3.46Å; F79-F86 VanDerWaalsContact CE1-CB 3.46Å; F79-F86 HydrophobicContact CE1-CG 4.39Å; F79-F86 HydrophobicContact CE2-CB 3.85Å; F79-F86 AromaticContact CE2-CD2 3.82Å; F79-F86 HydrophobicContact CE2-CD2 3.82Å; F79-F86 HydrophobicContact CE2-CG 4.09Å; F79-F86 HydrophobicContact CG-CB 4.38Å; F79-F86 HydrophobicContact CZ-CB 3.4Å; F79-F86 VanDerWaalsContact CZ-CB 3.4Å; F79-F86 HydrophobicContact CZ-CD2 4.05Å; F79-F86 AromaticContact CZ-CG 3.84Å; F79-F86 HydrophobicContact CZ-CG 3.84Å; F79-F86 PolarHBondContact N-O 3.16Å; F79-F86 PolarHBondContact O-N 3.35Å; T81-F86 HydrophobicContact CG2-CD2 3.93Å; T81-F86 HydrophobicContact CG2-CE2 3.64Å; S84-F86 WeakPolarHBondContact OG-CE2 3.05Å; S84-F86 VanDerWaalsContact OG-CZ 3.28Å; S84-F86 WeakPolarHBondContact OG-CZ 3.13Å; F86-P100 HydrophobicContact CB-CB 4.25Å; F86-P100 HydrophobicContact CD1-CB 3.95Å; F86-P100 HydrophobicContact CG-CB 4.32Å; F86-T101 CarbonylContact C-O 3.54Å; F86-T101 WeakPolarHBondContact CA-O 3.45Å; F86-P102 HydrophobicContact CD1-CB 4.05Å; F86-P102 HydrophobicContact CE1-CB 3.83Å |
| 87 | V | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.9 | 169.2 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | Y77 A78 P100 T101 I103 V107 I110 I123 L145 | Y77-V87 WeakPolarHBondContact O-CA 3.06Å; A78-V87 HydrophobicContact CB-CG2 4.35Å; V87-P100 CarbonylContact O-C 3.58Å; V87-P100 WeakPolarHBondContact O-CA 3.37Å; V87-T101 PolarHBondContact N-O 3.34Å; V87-T101 PolarHBondContact O-N 2.81Å; V87-I103 HydrophobicContact CG2-CG1 3.83Å; V87-V107 HydrophobicContact CG2-CG2 3.91Å; V87-I110 HydrophobicContact CG1-CD1 4.06Å; V87-I110 HydrophobicContact CG2-CD1 4.18Å; V87-I123 HydrophobicContact CB-CD1 3.92Å; V87-I123 HydrophobicContact CG1-CD1 3.64Å; V87-I123 HydrophobicContact CG2-CD1 3.72Å; V87-I123 HydrophobicContact CG2-CG2 4.24Å; V87-L145 HydrophobicContact CG1-CD2 4.44Å |
| 88 | R | 94.5 | Very high | 87.4 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.7 | -179.9 | -155.5 | 169.2 | -169.7 | 167.3 | 5.4 | 110.1 | Y54 A76 Y77 F79 S98 | Y54-R88 PolarHBondContact OH-NH1 2.81Å; A76-R88 WeakPolarHBondContact CA-O 3.35Å; Y77-R88 HydrophobicContact CE1-CB 4.22Å; Y77-R88 HydrophobicContact CE2-CB 4.03Å; Y77-R88 PolarHBondContact N-O 2.86Å; Y77-R88 PolarHBondContact O-N 3.07Å; F79-R88 HydrophobicContact CE1-CB 4.15Å; R88-S98 VanDerWaalsContact CG-OG 3.3Å; R88-S98 WeakPolarHBondContact CG-OG 3.41Å; R88-S98 VanDerWaalsContact CZ-O 3.23Å; R88-S98 PolarHBondContact NE-O 2.83Å; R88-S98 PolarHBondContact NH2-O 2.85Å |
| 89 | V | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.4 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 109 | L74 C75 A76 R97 S98 W112 V135 P143 L145 | L74-V89 HydrophobicContact CB-CG1 4.25Å; L74-V89 HydrophobicContact CD2-CG1 4.06Å; C75-V89 CarbonylContact O-C 3.54Å; C75-V89 VanDerWaalsContact O-CA 3.3Å; C75-V89 WeakPolarHBondContact O-CA 3.3Å; A76-V89 HydrophobicContact CB-CG2 3.97Å; V89-R97 WeakPolarHBondContact O-CA 3.46Å; V89-S98 PolarHBondContact N-OG 2.62Å; V89-S98 PolarHBondContact O-N 3.07Å; V89-S98 PolarHBondContact O-OG 2.89Å; V89-W112 HydrophobicContact CG1-CH2 4.16Å; V89-W112 HydrophobicContact CG1-CZ2 4.08Å; V89-W112 HydrophobicContact CG2-CH2 4.15Å; V89-W112 HydrophobicContact CG2-CZ2 4.07Å; V89-V135 HydrophobicContact CG1-CG1 4.27Å; V89-V135 HydrophobicContact CG2-CG2 4.28Å; V89-P143 HydrophobicContact CB-CB 4.22Å; V89-P143 HydrophobicContact CB-CG 4.14Å; V89-P143 HydrophobicContact CG1-CB 3.89Å; V89-P143 HydrophobicContact CG1-CG 3.88Å; V89-P143 WeakPolarHBondContact O-CG 3.48Å; V89-L145 HydrophobicContact CB-CD1 3.86Å; V89-L145 HydrophobicContact CG2-CD1 3.69Å; V89-L145 HydrophobicContact CG2-CD2 4.22Å; V89-L145 HydrophobicContact CG2-CG 4.06Å |
| 90 | I | 93.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.9 | 169.8 | -171.4 | 171 | 0 | 0 | 0 | 109 | L51 C75 Y77 V92 T96 R97 L437 | L51-I90 HydrophobicContact CB-CD1 4.34Å; C75-I90 HydrophobicContact CB-CG2 3.91Å; C75-I90 PolarHBondContact N-O 3.03Å; C75-I90 PolarHBondContact O-N 3.01Å; Y77-I90 HydrophobicContact CD1-CG2 4.32Å; Y77-I90 HydrophobicContact CE1-CB 4.11Å; Y77-I90 HydrophobicContact CE1-CG2 3.86Å; I90-V92 HydrophobicContact CG2-CG2 4.29Å; I90-V92 PolarHBondContact O-N 2.87Å; I90-T96 WeakPolarHBondContact CA-O 3.41Å; I90-T96 WeakPolarHBondContact CG1-O 3.27Å; I90-R97 HydrophobicContact CB-CB 4.47Å; I90-R97 HydrophobicContact CG1-CB 4.39Å; I90-L437 HydrophobicContact CG2-CD2 4.46Å |
| 91 | N | 92.1 | Very high | 87.6 | Confident | 12 Ų | 12 | 47 Ų | 47 | 6% | 0.064 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 107.1 | 161.2 | 179.7 | -17.2 | 0 | 0 | 0 | 106.4 | R73 L74 K93 E94 K95 T96 L141 | R73-N91 CarbonylContact O-C 3.33Å; R73-N91 WeakPolarHBondContact O-CA 3.48Å; L74-N91 HydrophobicContact CD2-CB 4.31Å; N91-K93 VanDerWaalsContact C-N 3.28Å; N91-K93 PolarHBondContact O-N 3.28Å; N91-K93 PolarHBondContact OD1-N 2.83Å; N91-E94 HydrophobicContact CB-CB 4.49Å; N91-E94 VanDerWaalsContact ND2-CG 3.25Å; N91-E94 WeakPolarHBondContact ND2-CG 3.35Å; N91-E94 PolarHBondContact OD1-N 3.05Å; N91-K95 WeakPolarHBondContact O-CA 3.48Å; N91-K95 PolarHBondContact O-N 2.81Å; N91-T96 WeakPolarHBondContact CB-OG1 3.42Å; N91-T96 PolarHBondContact N-O 3.15Å; N91-L141 PolarHBondContact ND2-O 2.8Å |
| 92 | V | 89.2 | Confident | 88.4 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 11% | 0.109 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -34.3 | -170.8 | -175.6 | 0 | 0 | 0 | 0 | 111.3 | R73 C75 I90 I430 | R73-V92 PolarHBondContact O-N 3.17Å; C75-V92 HydrophobicContact CB-CG2 3.58Å; I90-V92 HydrophobicContact CG2-CG2 4.29Å; I90-V92 PolarHBondContact O-N 2.87Å; V92-I430 HydrophobicContact CG1-CD1 4.16Å; V92-I430 HydrophobicContact CG2-CD1 3.68Å |
| 93 | K | 86 | Confident | 89.5 | Confident | 134 Ų | 134 | 43.9 Ų | 43.9 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -55.3 | 178.8 | -178.8 | -178.5 | 172 | -112 | 0 | 111.5 | N91 K95 | N91-K93 VanDerWaalsContact C-N 3.28Å; N91-K93 PolarHBondContact O-N 3.28Å; N91-K93 PolarHBondContact OD1-N 2.83Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.29Å |
| 94 | E | 86.2 | Confident | 90.4 | Very high | 74 Ų | 74 | 48 Ų | 48 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.2 | -175.3 | -49.8 | -53.2 | 145.3 | 0 | 0 | 112.9 | N91 T96 L141 | N91-E94 HydrophobicContact CB-CB 4.49Å; N91-E94 VanDerWaalsContact ND2-CG 3.25Å; N91-E94 WeakPolarHBondContact ND2-CG 3.35Å; N91-E94 PolarHBondContact OD1-N 3.05Å; E94-T96 HydrophobicContact CB-CG2 4.02Å; E94-T96 PolarHBondContact O-N 2.88Å; E94-L141 HydrophobicContact CG-CB 4.47Å; E94-L141 HydrophobicContact CG-CD1 4.4Å |
| 95 | K | 85.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 47% | 0.465 | 23% | 0.234 | S | C | . | . | trans | 54.6 | 14.6 | -173.9 | -61.8 | 179.7 | 176.4 | 176 | 0 | 114.2 | E49 N91 K93 | E49-K95 IonicContact OE1-NZ 2.75Å; E49-K95 PolarHBondContact OE1-NZ 3.32Å; E49-K95 IonicContact OE2-NZ 2.63Å; E49-K95 PolarHBondContact OE2-NZ 2.9Å; N91-K95 WeakPolarHBondContact O-CA 3.48Å; N91-K95 PolarHBondContact O-N 2.81Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.29Å | ||
| 96 | T | 89.3 | Confident | 91 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | trans | -77.4 | 148.1 | 173 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | I90 N91 E94 L141 | I90-T96 WeakPolarHBondContact CA-O 3.41Å; I90-T96 WeakPolarHBondContact CG1-O 3.27Å; N91-T96 WeakPolarHBondContact CB-OG1 3.42Å; N91-T96 PolarHBondContact N-O 3.15Å; E94-T96 HydrophobicContact CB-CG2 4.02Å; E94-T96 PolarHBondContact O-N 2.88Å; T96-L141 PolarHBondContact OG1-O 3.37Å | ||
| 97 | R | 90.1 | Very high | 91.1 | Very high | 114 Ų | 114 | 48.8 Ų | 48.8 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -140.4 | 145.9 | -172.2 | 56.5 | -173.7 | 176.3 | 175.9 | -3.6 | 111.8 | N52 V89 I90 | N52-R97 VanDerWaalsContact CG-NH1 3.32Å; N52-R97 PolarHBondContact ND2-NH1 3.26Å; N52-R97 PolarHBondContact OD1-NH1 3Å; V89-R97 WeakPolarHBondContact O-CA 3.46Å; I90-R97 HydrophobicContact CB-CB 4.47Å; I90-R97 HydrophobicContact CG1-CB 4.39Å |
| 98 | S | 93 | Very high | 91 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.028 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 173.1 | 176.8 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | R88 V89 P143 L145 | R88-S98 VanDerWaalsContact CG-OG 3.3Å; R88-S98 WeakPolarHBondContact CG-OG 3.41Å; R88-S98 VanDerWaalsContact CZ-O 3.23Å; R88-S98 PolarHBondContact NE-O 2.83Å; R88-S98 PolarHBondContact NH2-O 2.85Å; V89-S98 PolarHBondContact N-OG 2.62Å; V89-S98 PolarHBondContact O-N 3.07Å; V89-S98 PolarHBondContact O-OG 2.89Å; S98-P143 WeakPolarHBondContact CA-O 3.37Å; S98-P143 WeakPolarHBondContact CB-O 3.49Å; S98-L145 VanDerWaalsContact OG-CD1 3.29Å; S98-L145 WeakPolarHBondContact OG-CD1 3.49Å |
| 99 | N | 89.8 | Confident | 91.1 | Very high | 121 Ų | 121 | 49.3 Ų | 49.3 | 65% | 0.647 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -68.7 | 148.9 | 154.5 | -78.2 | -35.2 | 0 | 0 | 0 | 109.7 | T101 | N99-T101 PolarHBondContact O-N 3.19Š|
| 100 | P | 90.7 | Very high | 91.1 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 121.5 | 175.1 | 30.6 | -32.5 | 0 | 0 | 0 | 110 | F79 F86 V87 | F79-P100 HydrophobicContact CE1-CB 4Å; F79-P100 HydrophobicContact CZ-CB 3.76Å; F86-P100 HydrophobicContact CB-CB 4.25Å; F86-P100 HydrophobicContact CD1-CB 3.95Å; F86-P100 HydrophobicContact CG-CB 4.32Å; V87-P100 CarbonylContact O-C 3.58Å; V87-P100 WeakPolarHBondContact O-CA 3.37Å |
| 101 | T | 93.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 49.9 Ų | 49.9 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | F86 V87 N99 F133 | F86-T101 CarbonylContact C-O 3.54Å; F86-T101 WeakPolarHBondContact CA-O 3.45Å; V87-T101 PolarHBondContact N-O 3.34Å; V87-T101 PolarHBondContact O-N 2.81Å; N99-T101 PolarHBondContact O-N 3.19Å; T101-F133 HydrophobicContact CG2-CE1 3.79Å; T101-F133 HydrophobicContact CG2-CZ 3.88Å |
| 102 | P | 92.1 | Very high | 91.4 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.5 | 177.6 | 28.9 | -33.6 | 0 | 0 | 0 | 111.3 | F86 | F86-P102 HydrophobicContact CD1-CB 4.05Å; F86-P102 HydrophobicContact CE1-CB 3.83Å |
| 103 | I | 92.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.2 | 168.9 | -55.4 | -63 | 0 | 0 | 0 | 108 | S85 V87 N105 V107 F131 F133 | S85-I103 PolarHBondContact O-N 3.48Å; V87-I103 HydrophobicContact CG2-CG1 3.83Å; I103-N105 PolarHBondContact O-N 2.94Å; I103-V107 HydrophobicContact CB-CG2 3.96Å; I103-V107 HydrophobicContact CG1-CG2 3.89Å; I103-V107 HydrophobicContact CG2-CG2 3.9Å; I103-F131 HydrophobicContact CD1-CB 4.46Å; I103-F131 HydrophobicContact CD1-CD2 4.25Å; I103-F131 HydrophobicContact CD1-CG 4.16Å; I103-F131 HydrophobicContact CG2-CD2 4.22Å; I103-F131 HydrophobicContact CG2-CE2 3.84Å; I103-F131 HydrophobicContact CG2-CZ 4.31Å; I103-F133 HydrophobicContact CD1-CE2 4.3Å; I103-F133 HydrophobicContact CD1-CZ 4.19Å |
| 104 | K | 88.2 | Confident | 91.4 | Very high | 151 Ų | 151 | 46.1 Ų | 46.1 | 66% | 0.657 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -57.1 | -47.6 | -172.8 | 174.4 | -172.5 | 156.3 | -160.7 | 0 | 112.7 | E129 | K104-E129 WeakPolarHBondContact CE-OE2 3.39Å; K104-E129 IonicContact NZ-OE1 3.12Å; K104-E129 IonicContact NZ-OE2 2.63Å; K104-E129 PolarHBondContact NZ-OE2 3.25Å |
| 105 | N | 90.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 14% | 0.144 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -113.2 | 177 | -178.8 | -43 | -69.6 | 0 | 0 | 0 | 110.4 | S85 I103 V107 D125 I126 Y127 E129 | S85-N105 WeakPolarHBondContact CB-O 3.14Å; I103-N105 PolarHBondContact O-N 2.94Å; N105-V107 PolarHBondContact O-N 2.8Å; N105-D125 HydrophobicContact CB-CB 4.15Å; N105-D125 WeakPolarHBondContact CB-OD2 3.43Å; N105-D125 PolarHBondContact ND2-OD2 2.93Å; N105-I126 HydrophobicContact CB-CD1 4.12Å; N105-I126 HydrophobicContact CB-CG1 3.93Å; N105-Y127 HydrophobicContact CB-CD2 4Å; N105-Y127 HydrophobicContact CB-CE2 4.28Å; N105-E129 PolarHBondContact ND2-OE2 3.44Å |
| 106 | Q | 91 | Very high | 90.8 | Very high | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | trans | -66.5 | 124.2 | 176.3 | 175.7 | 176.7 | -18 | 0 | 0 | 110.8 | D125 I126 | Q106-D125 VanDerWaalsContact O-CA 3.31Å; Q106-D125 WeakPolarHBondContact O-CA 3.48Å; Q106-D125 VanDerWaalsContact O-CB 3.31Å; Q106-D125 WeakPolarHBondContact O-CB 3.02Å; Q106-I126 HydrophobicContact CB-CD1 4.12Å; Q106-I126 HydrophobicContact CB-CG2 4.02Å; Q106-I126 HydrophobicContact CG-CG2 4.35Å; Q106-I126 PolarHBondContact O-N 2.95Å; Q106-I126 VanDerWaalsContact O-N 3.08Å | ||
| 107 | V | 94.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.9 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | L65 A78 S85 V87 I103 N105 I110 I123 | L65-V107 WeakPolarHBondContact CD2-O 3.43Å; A78-V107 HydrophobicContact CB-CB 3.87Å; A78-V107 HydrophobicContact CB-CG1 3.79Å; A78-V107 HydrophobicContact CB-CG2 4.45Å; S85-V107 PolarHBondContact OG-N 3.42Å; V87-V107 HydrophobicContact CG2-CG2 3.91Å; I103-V107 HydrophobicContact CB-CG2 3.96Å; I103-V107 HydrophobicContact CG1-CG2 3.89Å; I103-V107 HydrophobicContact CG2-CG2 3.9Å; N105-V107 PolarHBondContact O-N 2.8Å; V107-I110 HydrophobicContact CG1-CD1 4.26Å; V107-I110 HydrophobicContact CG1-CG1 3.87Å; V107-I123 HydrophobicContact CB-CG2 4.38Å; V107-I123 HydrophobicContact CG1-CG2 3.64Å; V107-I123 HydrophobicContact CG2-CG2 3.79Å |
| 108 | V | 93.8 | Very high | 90 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -42.5 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | G63 Q64 I124 I126 P162 L163 | G63-V108 CarbonylContact C-O 3.54Å; G63-V108 VanDerWaalsContact CA-O 3.26Å; G63-V108 WeakPolarHBondContact CA-O 3.48Å; Q64-V108 PolarHBondContact N-O 3.29Å; V108-I124 PolarHBondContact N-O 3.33Å; V108-I126 HydrophobicContact CG2-CB 4.27Å; V108-I126 HydrophobicContact CG2-CG2 3.46Å; V108-I126 VanDerWaalsContact CG2-CG2 3.46Å; V108-P162 HydrophobicContact CB-CG 4.12Å; V108-P162 HydrophobicContact CG1-CG 4.03Å; V108-P162 HydrophobicContact CG2-CG 3.93Å; V108-L163 HydrophobicContact CG1-CD2 4.36Å |
| 109 | H | 96.1 | Very high | 89.9 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.7 | -176.2 | -175.2 | 83.7 | 0 | 0 | 0 | 112 | Q64 I124 L163 F164 | Q64-H109 PolarHBondContact N-ND1 3.39Å; Q64-H109 VanDerWaalsContact N-ND1 3.19Å; Q64-H109 CarbonylContact O-C 3.58Å; Q64-H109 VanDerWaalsContact O-CA 3.31Å; Q64-H109 WeakPolarHBondContact O-CA 3.45Å; H109-I124 HydrophobicContact CB-CG2 3.7Å; H109-I124 PolarHBondContact N-O 2.8Å; H109-I124 PolarHBondContact O-N 3.25Å; H109-L163 HydrophobicContact CB-CD2 3.75Å; H109-F164 AromaticContact CD2-CD1 3.9Å; H109-F164 AromaticContact CD2-CE1 3.76Å; H109-F164 PolarHBondContact NE2-O 2.91Å |
| 110 | I | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.7 | 171.7 | -66.9 | 175.2 | 0 | 0 | 0 | 107.8 | Q64 A76 A78 V87 V107 V121 G122 I123 | Q64-I110 PolarHBondContact O-N 2.9Å; A76-I110 HydrophobicContact CB-CG2 3.97Å; A78-I110 HydrophobicContact CB-CD1 3.68Å; A78-I110 VanDerWaalsContact N-CD1 3.28Å; V87-I110 HydrophobicContact CG1-CD1 4.06Å; V87-I110 HydrophobicContact CG2-CD1 4.18Å; V107-I110 HydrophobicContact CG1-CD1 4.26Å; V107-I110 HydrophobicContact CG1-CG1 3.87Å; I110-V121 HydrophobicContact CG2-CG2 3.54Å; I110-G122 WeakPolarHBondContact CA-O 3.4Å; I110-I123 HydrophobicContact CG1-CG1 4.43Å; I110-I123 HydrophobicContact CG1-CG2 4.1Å |
| 111 | A | 95.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G122 F164 W166 | A111-G122 PolarHBondContact N-O 2.98Å; A111-G122 PolarHBondContact O-N 2.99Å; A111-F164 HydrophobicContact CB-CE2 4.25Å; A111-F164 HydrophobicContact CB-CZ 3.94Å; A111-W166 PolarHBondContact O-NE1 2.79Å |
| 112 | W | 94.7 | Very high | 90.5 | Very high | 11 Ų | 11 | 34.3 Ų | 34.3 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 144.8 | 169.6 | -70.2 | 91.4 | 0 | 0 | 0 | 112.2 | S67 H69 L74 A76 V89 P119 V121 V135 W166 | S67-W112 VanDerWaalsContact C-CD1 3.5Å; S67-W112 PolarHBondContact O-NE1 3.24Å; H69-W112 HydrophobicContact CB-CD2 3.67Å; H69-W112 HydrophobicContact CB-CE3 3.94Å; H69-W112 HydrophobicContact CB-CG 3.98Å; H69-W112 HydrophobicContact CB-CH2 4.44Å; H69-W112 HydrophobicContact CB-CZ2 4.21Å; H69-W112 HydrophobicContact CB-CZ3 4.33Å; H69-W112 AromaticContact CD2-CD2 3.92Å; H69-W112 AromaticContact CD2-CE3 3.53Å; H69-W112 AromaticContact CG-CE3 3.91Å; L74-W112 HydrophobicContact CB-CH2 3.92Å; L74-W112 HydrophobicContact CB-CZ2 3.9Å; L74-W112 HydrophobicContact CD1-CH2 4.02Å; L74-W112 HydrophobicContact CD1-CZ3 4.42Å; A76-W112 HydrophobicContact CB-CZ2 3.74Å; V89-W112 HydrophobicContact CG1-CH2 4.16Å; V89-W112 HydrophobicContact CG1-CZ2 4.08Å; V89-W112 HydrophobicContact CG2-CH2 4.15Å; V89-W112 HydrophobicContact CG2-CZ2 4.07Å; W112-P119 HydrophobicContact CE3-CB 4.43Å; W112-P119 HydrophobicContact CZ3-CB 3.82Å; W112-V121 HydrophobicContact CD2-CB 3.95Å; W112-V121 HydrophobicContact CD2-CG2 4.33Å; W112-V121 HydrophobicContact CE3-CB 3.84Å; W112-V121 HydrophobicContact CH2-CB 4.32Å; W112-V121 HydrophobicContact CZ2-CB 4.41Å; W112-V121 HydrophobicContact CZ3-CB 4.03Å; W112-V135 HydrophobicContact CH2-CB 4.05Å; W112-V135 HydrophobicContact CH2-CG1 4.34Å; W112-V135 HydrophobicContact CH2-CG2 3.7Å; W112-V135 HydrophobicContact CZ3-CB 4.12Å; W112-V135 HydrophobicContact CZ3-CG2 3.81Å; W112-W166 PolarHBondContact O-NE1 3.48Å |
| 113 | A | 91.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | trans | -65.4 | 152.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | S115 T120 W166 | A113-S115 VanDerWaalsContact C-N 3.3Å; A113-S115 PolarHBondContact O-N 3.2Å; A113-T120 WeakPolarHBondContact CB-O 3.49Å; A113-T120 PolarHBondContact N-O 3.08Å; A113-W166 HydrophobicContact CB-CD2 3.72Å; A113-W166 HydrophobicContact CB-CE3 3.72Å; A113-W166 HydrophobicContact CB-CG 4.38Å; A113-W166 HydrophobicContact CB-CH2 3.94Å; A113-W166 HydrophobicContact CB-CZ2 3.9Å; A113-W166 HydrophobicContact CB-CZ3 3.84Å | ||
| 114 | Y | 85 | Confident | 91 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 28% | 0.282 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -83.5 | -4.9 | -179.8 | -67.5 | -94.1 | 0 | 0 | 0 | 114 | R70 W166 P168 L298 | R70-Y114 VanDerWaalsContact CD-O 3.23Å; R70-Y114 WeakPolarHBondContact CD-O 3.47Å; R70-Y114 PolarHBondContact NH1-O 3.16Å; R70-Y114 VanDerWaalsContact NH1-O 3.15Å; Y114-W166 HydrophobicContact CD2-CB 3.93Å; Y114-W166 HydrophobicContact CE2-CB 3.98Å; Y114-P168 WeakPolarHBondContact CB-O 3.49Å; Y114-P168 HydrophobicContact CD1-CB 4.5Å; Y114-P168 VanDerWaalsContact CD2-CA 3.47Å; Y114-P168 HydrophobicContact CD2-CB 4.34Å; Y114-P168 HydrophobicContact CE1-CB 4.42Å; Y114-P168 HydrophobicContact CE2-CB 4.22Å; Y114-P168 HydrophobicContact CE2-CG 4.25Å; Y114-P168 HydrophobicContact CG-CB 4.44Å; Y114-L298 HydrophobicContact CD1-CD1 4.39Å; Y114-L298 HydrophobicContact CE1-CD1 3.48Å; Y114-L298 VanDerWaalsContact CE1-CD1 3.48Å |
| 115 | S | 80.3 | Confident | 91.2 | Very high | 36 Ų | 36 | 22.7 Ų | 22.7 | 25% | 0.252 | 12% | 0.118 | S | C | . | . | trans | -69.3 | 130.9 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | H69 A113 F117 | H69-S115 PolarHBondContact NE2-O 3.35Å; A113-S115 VanDerWaalsContact C-N 3.3Å; A113-S115 PolarHBondContact O-N 3.2Å; S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 PolarHBondContact OG-N 3.43Å; S115-F117 PolarHBondContact OG-O 3.24Å | ||
| 116 | L | 77 | Confident | 91.3 | Very high | 78 Ų | 78 | 22.8 Ų | 22.8 | 41% | 0.408 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -72.2 | -24.8 | 174.8 | -66.8 | 172 | 0 | 0 | 0 | 112.8 | R70 N71 P119 | R70-L116 HydrophobicContact CB-CD2 4.11Å; R70-L116 HydrophobicContact CG-CD2 4.21Å; N71-L116 HydrophobicContact CB-CD2 4.37Å; L116-P119 WeakPolarHBondContact O-CG 3.34Å |
| 117 | F | 77.3 | Confident | 91.4 | Very high | 91 Ų | 91 | 23.3 Ų | 23.3 | 40% | 0.399 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -146.9 | 134.9 | -176.5 | -161.2 | -102.4 | 0 | 0 | 0 | 113.6 | S115 L184 A187 | S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 PolarHBondContact OG-N 3.43Å; S115-F117 PolarHBondContact OG-O 3.24Å; F117-L184 HydrophobicContact CD2-CD2 4.46Å; F117-L184 VanDerWaalsContact CE2-O 3.22Å; F117-L184 WeakPolarHBondContact CE2-O 3.38Å; F117-L184 WeakPolarHBondContact CZ-O 3.18Å; F117-A187 HydrophobicContact CD1-CB 4.05Å; F117-A187 HydrophobicContact CE1-CB 4.32Å |
| 118 | P | 85.8 | Confident | 91.4 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 29% | 0.286 | 12% | 0.118 | S | C | . | . | S | Bend | cis | -64.7 | 138.2 | -23.7 | 29.2 | -33.5 | 0 | 0 | 0 | 110.2 | T120 Q134 | P118-T120 PolarHBondContact O-N 3.04Å; P118-T120 VanDerWaalsContact O-N 3.09Å; P118-T120 PolarHBondContact O-OG1 3.25Å; P118-Q134 HydrophobicContact CB-CB 4.44Å; P118-Q134 HydrophobicContact CB-CG 4.22Å; P118-Q134 HydrophobicContact CG-CG 3.92Å |
| 119 | P | 91 | Very high | 91.4 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | trans | -53.8 | 118.6 | 175.9 | -25.7 | 34.6 | 0 | 0 | 0 | 110.6 | L74 W112 L116 Q134 V135 | L74-P119 HydrophobicContact CD1-CB 4.03Å; L74-P119 HydrophobicContact CD1-CG 4.24Å; W112-P119 HydrophobicContact CE3-CB 4.43Å; W112-P119 HydrophobicContact CZ3-CB 3.82Å; L116-P119 WeakPolarHBondContact O-CG 3.34Å; P119-Q134 CarbonylContact O-C 3.6Å; P119-Q134 WeakPolarHBondContact O-CA 3.31Å; P119-V135 HydrophobicContact CB-CB 4.45Å; P119-V135 PolarHBondContact O-N 2.64Å | ||
| 120 | T | 94.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124.7 | -172.7 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | A113 P118 F133 W148 W166 | A113-T120 WeakPolarHBondContact CB-O 3.49Å; A113-T120 PolarHBondContact N-O 3.08Å; P118-T120 PolarHBondContact O-N 3.04Å; P118-T120 VanDerWaalsContact O-N 3.09Å; P118-T120 PolarHBondContact O-OG1 3.25Å; T120-F133 CarbonylContact C-O 3.58Å; T120-F133 WeakPolarHBondContact CA-O 3.34Å; T120-W148 HydrophobicContact CG2-CE3 4.02Å; T120-W148 HydrophobicContact CG2-CZ3 4.25Å; T120-W166 HydrophobicContact CG2-CH2 3.85Å; T120-W166 HydrophobicContact CG2-CZ2 4.17Å |
| 121 | V | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.5 | 175.1 | 62.3 | 0 | 0 | 0 | 0 | 110.2 | A76 I110 W112 I123 F132 F133 V135 | A76-V121 HydrophobicContact CB-CG2 3.79Å; I110-V121 HydrophobicContact CG2-CG2 3.54Å; W112-V121 HydrophobicContact CD2-CB 3.95Å; W112-V121 HydrophobicContact CD2-CG2 4.33Å; W112-V121 HydrophobicContact CE3-CB 3.84Å; W112-V121 HydrophobicContact CH2-CB 4.32Å; W112-V121 HydrophobicContact CZ2-CB 4.41Å; W112-V121 HydrophobicContact CZ3-CB 4.03Å; V121-I123 HydrophobicContact CG2-CG1 4.43Å; V121-F132 WeakPolarHBondContact O-CA 3.32Å; V121-F133 HydrophobicContact CG1-CB 3.96Å; V121-F133 PolarHBondContact N-O 3.33Å; V121-F133 PolarHBondContact O-N 3.1Å; V121-V135 HydrophobicContact CG1-CG2 4.09Å |
| 122 | G | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 148.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I110 A111 F132 F164 | I110-G122 WeakPolarHBondContact CA-O 3.4Å; A111-G122 PolarHBondContact N-O 2.98Å; A111-G122 PolarHBondContact O-N 2.99Å; G122-F132 VanDerWaalsContact CA-CD1 3.44Å; G122-F164 WeakPolarHBondContact O-CZ 3.47Å |
| 123 | I | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 138.6 | -170.4 | -43.7 | -169 | 0 | 0 | 0 | 108.5 | V87 V107 I110 V121 M130 F131 F133 | V87-I123 HydrophobicContact CB-CD1 3.92Å; V87-I123 HydrophobicContact CG1-CD1 3.64Å; V87-I123 HydrophobicContact CG2-CD1 3.72Å; V87-I123 HydrophobicContact CG2-CG2 4.24Å; V107-I123 HydrophobicContact CB-CG2 4.38Å; V107-I123 HydrophobicContact CG1-CG2 3.64Å; V107-I123 HydrophobicContact CG2-CG2 3.79Å; I110-I123 HydrophobicContact CG1-CG1 4.43Å; I110-I123 HydrophobicContact CG1-CG2 4.1Å; V121-I123 HydrophobicContact CG2-CG1 4.43Å; I123-M130 CarbonylContact O-C 3.51Å; I123-M130 VanDerWaalsContact O-CA 3.28Å; I123-M130 WeakPolarHBondContact O-CA 3.45Å; I123-F131 HydrophobicContact CB-CB 4.35Å; I123-F131 WeakPolarHBondContact CB-O 3.31Å; I123-F131 WeakPolarHBondContact CG1-O 3.32Å; I123-F131 PolarHBondContact N-O 2.83Å; I123-F131 PolarHBondContact O-N 3.07Å; I123-F133 HydrophobicContact CD1-CD2 3.72Å; I123-F133 HydrophobicContact CD1-CE2 3.62Å; I123-F133 HydrophobicContact CG1-CD2 4.28Å; I123-F133 HydrophobicContact CG1-CE2 4.32Å |
| 124 | I | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.4 | 175.9 | -168.8 | 168.9 | 0 | 0 | 0 | 111.1 | V108 H109 A128 E129 M130 P162 F164 | V108-I124 PolarHBondContact N-O 3.33Å; H109-I124 HydrophobicContact CB-CG2 3.7Å; H109-I124 PolarHBondContact N-O 2.8Å; H109-I124 PolarHBondContact O-N 3.25Å; I124-A128 HydrophobicContact CD1-CB 4.01Å; I124-A128 HydrophobicContact CG1-CB 4.37Å; I124-E129 WeakPolarHBondContact CA-O 3.48Å; I124-M130 HydrophobicContact CB-CG 4.15Å; I124-M130 HydrophobicContact CD1-CG 3.73Å; I124-M130 HydrophobicContact CD1-SD 4.13Å; I124-M130 HydrophobicContact CG1-CG 3.76Å; I124-P162 HydrophobicContact CD1-CB 4.06Å; I124-P162 HydrophobicContact CG1-CB 4.19Å; I124-P162 WeakPolarHBondContact CG2-O 3.4Å; I124-F164 HydrophobicContact CB-CD1 3.95Å; I124-F164 HydrophobicContact CB-CE1 4.33Å; I124-F164 HydrophobicContact CG2-CD1 3.66Å; I124-F164 HydrophobicContact CG2-CE1 4.06Å |
| 125 | D | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 177.1 | -178.4 | 76.7 | 17.4 | 0 | 0 | 0 | 114 | N105 Q106 Y127 A128 E129 P162 | N105-D125 HydrophobicContact CB-CB 4.15Å; N105-D125 WeakPolarHBondContact CB-OD2 3.43Å; N105-D125 PolarHBondContact ND2-OD2 2.93Å; Q106-D125 VanDerWaalsContact O-CA 3.31Å; Q106-D125 WeakPolarHBondContact O-CA 3.48Å; Q106-D125 VanDerWaalsContact O-CB 3.31Å; Q106-D125 WeakPolarHBondContact O-CB 3.02Å; D125-Y127 PolarHBondContact O-N 2.93Å; D125-Y127 VanDerWaalsContact O-N 3.08Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.49Å; D125-Y127 PolarHBondContact OD1-N 3.25Å; D125-A128 PolarHBondContact O-N 3.36Å; D125-A128 PolarHBondContact OD1-N 2.88Å; D125-E129 PolarHBondContact N-O 2.91Å; D125-E129 PolarHBondContact OD1-N 3.47Å; D125-P162 VanDerWaalsContact O-CB 3.28Å; D125-P162 WeakPolarHBondContact O-CB 3.37Å; D125-P162 WeakPolarHBondContact O-CG 3.49Å |
| 126 | I | 91.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 22.3 Ų | 22.3 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19.7 | 179.3 | 58.4 | -174.4 | 0 | 0 | 0 | 115.1 | N105 Q106 V108 M158 C159 | N105-I126 HydrophobicContact CB-CD1 4.12Å; N105-I126 HydrophobicContact CB-CG1 3.93Å; Q106-I126 HydrophobicContact CB-CD1 4.12Å; Q106-I126 HydrophobicContact CB-CG2 4.02Å; Q106-I126 HydrophobicContact CG-CG2 4.35Å; Q106-I126 PolarHBondContact O-N 2.95Å; Q106-I126 VanDerWaalsContact O-N 3.08Å; V108-I126 HydrophobicContact CG2-CB 4.27Å; V108-I126 HydrophobicContact CG2-CG2 3.46Å; V108-I126 VanDerWaalsContact CG2-CG2 3.46Å; I126-M158 HydrophobicContact CB-CG 4.19Å; I126-M158 HydrophobicContact CB-SD 4.19Å; I126-M158 HydrophobicContact CD1-CE 3.58Å; I126-M158 HydrophobicContact CD1-CG 4.42Å; I126-M158 HydrophobicContact CD1-SD 3.88Å; I126-M158 HydrophobicContact CG1-CE 4.44Å; I126-M158 HydrophobicContact CG1-CG 4.34Å; I126-M158 HydrophobicContact CG1-SD 4.33Å; I126-M158 CarbonylContact O-C 3.46Å; I126-M158 VanDerWaalsContact O-CA 3.28Å; I126-M158 WeakPolarHBondContact O-CA 3.36Å; I126-M158 WeakPolarHBondContact O-CB 3.43Å; I126-C159 PolarHBondContact O-N 3.07Å |
| 127 | Y | 92.6 | Very high | 93.1 | Very high | 62 Ų | 62 | 22 Ų | 22 | 24% | 0.243 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 13.5 | 175.9 | -61.4 | -72.4 | 0 | 0 | 0 | 112.4 | N105 D125 E129 L155 M158 | N105-Y127 HydrophobicContact CB-CD2 4Å; N105-Y127 HydrophobicContact CB-CE2 4.28Å; D125-Y127 PolarHBondContact O-N 2.93Å; D125-Y127 VanDerWaalsContact O-N 3.08Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.49Å; D125-Y127 PolarHBondContact OD1-N 3.25Å; Y127-E129 PolarHBondContact O-N 3.03Å; Y127-L155 WeakPolarHBondContact CD1-O 3.49Å; Y127-L155 WeakPolarHBondContact O-CD1 3.32Å; Y127-M158 HydrophobicContact CD1-CG 4Å; Y127-M158 HydrophobicContact CE1-CB 4.49Å; Y127-M158 HydrophobicContact CE1-CE 4.31Å; Y127-M158 HydrophobicContact CE1-CG 3.53Å; Y127-M158 HydrophobicContact CE2-CE 4.35Å; Y127-M158 VanDerWaalsContact OH-CE 3.3Å; Y127-M158 WeakPolarHBondContact OH-CE 3.35Å |
| 128 | A | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | 57.1 | 23.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I124 D125 R153 L155 P162 V205 | I124-A128 HydrophobicContact CD1-CB 4.01Å; I124-A128 HydrophobicContact CG1-CB 4.37Å; D125-A128 PolarHBondContact O-N 3.36Å; D125-A128 PolarHBondContact OD1-N 2.88Å; A128-R153 WeakPolarHBondContact O-CD 3.38Å; A128-R153 PolarHBondContact O-NE 2.64Å; A128-L155 HydrophobicContact CB-CD1 4.37Å; A128-P162 HydrophobicContact CB-CB 4.07Å; A128-V205 HydrophobicContact CB-CG1 4.31Å; A128-V205 HydrophobicContact CB-CG2 4.04Å | ||
| 129 | E | 94.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | trans | -68.9 | 132.3 | 163.8 | -48.9 | -155.3 | 86.6 | 0 | 0 | 107.9 | K104 N105 I124 D125 Y127 F131 N152 R153 | K104-E129 WeakPolarHBondContact CE-OE2 3.39Å; K104-E129 IonicContact NZ-OE1 3.12Å; K104-E129 IonicContact NZ-OE2 2.63Å; K104-E129 PolarHBondContact NZ-OE2 3.25Å; N105-E129 PolarHBondContact ND2-OE2 3.44Å; I124-E129 WeakPolarHBondContact CA-O 3.48Å; D125-E129 PolarHBondContact N-O 2.91Å; D125-E129 PolarHBondContact OD1-N 3.47Å; Y127-E129 PolarHBondContact O-N 3.03Å; E129-F131 HydrophobicContact CB-CE2 3.87Å; E129-F131 HydrophobicContact CB-CZ 3.89Å; E129-N152 WeakPolarHBondContact OE1-CA 3.15Å; E129-R153 HydrophobicContact CG-CB 4.31Å; E129-R153 PolarHBondContact OE1-N 3.24Å; E129-R153 VanDerWaalsContact OE1-N 3.09Å | ||
| 130 | M | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.2 | -172.6 | -61.4 | 169.5 | -59.8 | 0 | 0 | 111.2 | I123 I124 F132 T150 V151 R153 I201 A203 M212 | I123-M130 CarbonylContact O-C 3.51Å; I123-M130 VanDerWaalsContact O-CA 3.28Å; I123-M130 WeakPolarHBondContact O-CA 3.45Å; I124-M130 HydrophobicContact CB-CG 4.15Å; I124-M130 HydrophobicContact CD1-CG 3.73Å; I124-M130 HydrophobicContact CD1-SD 4.13Å; I124-M130 HydrophobicContact CG1-CG 3.76Å; M130-F132 HydrophobicContact CB-CE2 3.7Å; M130-F132 HydrophobicContact CB-CZ 3.9Å; M130-T150 CarbonylContact O-C 3.5Å; M130-T150 WeakPolarHBondContact O-CA 3.38Å; M130-V151 HydrophobicContact CB-CB 4.32Å; M130-V151 HydrophobicContact CE-CB 3.77Å; M130-V151 HydrophobicContact CE-CG1 3.67Å; M130-V151 HydrophobicContact CE-CG2 4.27Å; M130-V151 PolarHBondContact N-O 2.89Å; M130-V151 PolarHBondContact O-N 3.36Å; M130-R153 VanDerWaalsContact CE-NH2 3.35Å; M130-I201 HydrophobicContact SD-CD1 4.47Å; M130-A203 HydrophobicContact SD-CB 3.91Å; M130-M212 HydrophobicContact CE-CE 3.81Å; M130-M212 HydrophobicContact CE-SD 3.96Å; M130-M212 HydrophobicContact SD-CE 3.97Å |
| 131 | F | 96.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 39 Ų | 39 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.2 | -176.1 | -49.4 | -93.9 | 0 | 0 | 0 | 109.1 | I103 I123 E129 F133 T150 | I103-F131 HydrophobicContact CD1-CB 4.46Å; I103-F131 HydrophobicContact CD1-CD2 4.25Å; I103-F131 HydrophobicContact CD1-CG 4.16Å; I103-F131 HydrophobicContact CG2-CD2 4.22Å; I103-F131 HydrophobicContact CG2-CE2 3.84Å; I103-F131 HydrophobicContact CG2-CZ 4.31Å; I123-F131 HydrophobicContact CB-CB 4.35Å; I123-F131 WeakPolarHBondContact CB-O 3.31Å; I123-F131 WeakPolarHBondContact CG1-O 3.32Å; I123-F131 PolarHBondContact N-O 2.83Å; I123-F131 PolarHBondContact O-N 3.07Å; E129-F131 HydrophobicContact CB-CE2 3.87Å; E129-F131 HydrophobicContact CB-CZ 3.89Å; F131-F133 HydrophobicContact CB-CD2 4.46Å; F131-F133 HydrophobicContact CB-CE2 3.55Å; F131-F133 HydrophobicContact CB-CZ 4.03Å; F131-T150 HydrophobicContact CD1-CG2 3.58Å; F131-T150 HydrophobicContact CE1-CG2 3.63Å |
| 132 | F | 96.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.1 | -179.1 | -55.7 | -84 | 0 | 0 | 0 | 109.6 | V121 G122 M130 W148 L149 V151 F164 W166 I201 L214 | V121-F132 WeakPolarHBondContact O-CA 3.32Å; G122-F132 VanDerWaalsContact CA-CD1 3.44Å; M130-F132 HydrophobicContact CB-CE2 3.7Å; M130-F132 HydrophobicContact CB-CZ 3.9Å; F132-W148 HydrophobicContact CB-CE3 3.97Å; F132-W148 PolarHBondContact O-N 3.44Å; F132-L149 HydrophobicContact CB-CB 4.27Å; F132-L149 HydrophobicContact CD2-CB 4.05Å; F132-L149 HydrophobicContact CD2-CD2 4.09Å; F132-L149 HydrophobicContact CD2-CG 4.1Å; F132-L149 HydrophobicContact CE2-CD2 4.43Å; F132-L149 PolarHBondContact N-O 2.88Å; F132-L149 PolarHBondContact O-N 2.88Å; F132-V151 HydrophobicContact CE2-CG2 4.43Å; F132-F164 HydrophobicContact CE1-CE2 4.28Å; F132-W166 AromaticContact CD1-CH2 3.79Å; F132-W166 HydrophobicContact CD1-CH2 3.79Å; F132-W166 AromaticContact CD1-CZ2 3.78Å; F132-W166 HydrophobicContact CD1-CZ2 3.78Å; F132-W166 HydrophobicContact CE1-CH2 4.14Å; F132-W166 HydrophobicContact CE1-CZ2 4.05Å; F132-I201 HydrophobicContact CE1-CD1 4.09Å; F132-I201 HydrophobicContact CZ-CD1 3.63Å; F132-L214 HydrophobicContact CD1-CD1 3.56Å; F132-L214 HydrophobicContact CD2-CD1 4.06Å; F132-L214 HydrophobicContact CE1-CD1 3.45Å; F132-L214 VanDerWaalsContact CE1-CD1 3.45Å; F132-L214 HydrophobicContact CE2-CD1 3.95Å; F132-L214 HydrophobicContact CE2-CD2 4.13Å; F132-L214 HydrophobicContact CG-CD1 3.89Å; F132-L214 HydrophobicContact CZ-CD1 3.67Å; F132-L214 HydrophobicContact CZ-CD2 4.22Å |
| 133 | F | 96.6 | Very high | 91 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.3 | -177.9 | -57.7 | -94.5 | 0 | 0 | 0 | 109.9 | T101 I103 T120 V121 I123 F131 L145 T146 P147 | T101-F133 HydrophobicContact CG2-CE1 3.79Å; T101-F133 HydrophobicContact CG2-CZ 3.88Å; I103-F133 HydrophobicContact CD1-CE2 4.3Å; I103-F133 HydrophobicContact CD1-CZ 4.19Å; T120-F133 CarbonylContact C-O 3.58Å; T120-F133 WeakPolarHBondContact CA-O 3.34Å; V121-F133 HydrophobicContact CG1-CB 3.96Å; V121-F133 PolarHBondContact N-O 3.33Å; V121-F133 PolarHBondContact O-N 3.1Å; I123-F133 HydrophobicContact CD1-CD2 3.72Å; I123-F133 HydrophobicContact CD1-CE2 3.62Å; I123-F133 HydrophobicContact CG1-CD2 4.28Å; I123-F133 HydrophobicContact CG1-CE2 4.32Å; F131-F133 HydrophobicContact CB-CD2 4.46Å; F131-F133 HydrophobicContact CB-CE2 3.55Å; F131-F133 HydrophobicContact CB-CZ 4.03Å; F133-L145 HydrophobicContact CB-CB 4.2Å; F133-L145 HydrophobicContact CB-CD2 4.47Å; F133-L145 HydrophobicContact CB-CG 4.46Å; F133-L145 HydrophobicContact CD1-CB 4.14Å; F133-L145 HydrophobicContact CG-CB 4.38Å; F133-L145 HydrophobicContact CG-CD2 4.36Å; F133-T146 CarbonylContact C-O 3.53Å; F133-T146 VanDerWaalsContact CA-O 3.27Å; F133-T146 WeakPolarHBondContact CA-O 3.24Å; F133-P147 HydrophobicContact CD1-CB 4.25Å; F133-P147 HydrophobicContact CD1-CG 4.17Å; F133-P147 HydrophobicContact CE1-CB 4.18Å; F133-P147 HydrophobicContact CE1-CG 4Å |
| 134 | Q | 95 | Very high | 90.7 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 142 | 165.3 | -75.5 | 173.7 | -9.1 | 0 | 0 | 108.9 | P118 P119 T146 W148 | P118-Q134 HydrophobicContact CB-CB 4.44Å; P118-Q134 HydrophobicContact CB-CG 4.22Å; P118-Q134 HydrophobicContact CG-CG 3.92Å; P119-Q134 CarbonylContact O-C 3.6Å; P119-Q134 WeakPolarHBondContact O-CA 3.31Å; Q134-T146 PolarHBondContact N-O 3.42Å; Q134-T146 PolarHBondContact O-N 3.34Å; Q134-W148 HydrophobicContact CG-CB 3.94Å; Q134-W148 HydrophobicContact CG-CD2 4.47Å; Q134-W148 HydrophobicContact CG-CG 4.02Å |
| 135 | V | 94.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 103.9 | -173.4 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | L74 V89 W112 P119 V121 P143 I144 L145 | L74-V135 HydrophobicContact CD1-CG1 4.16Å; V89-V135 HydrophobicContact CG1-CG1 4.27Å; V89-V135 HydrophobicContact CG2-CG2 4.28Å; W112-V135 HydrophobicContact CH2-CB 4.05Å; W112-V135 HydrophobicContact CH2-CG1 4.34Å; W112-V135 HydrophobicContact CH2-CG2 3.7Å; W112-V135 HydrophobicContact CZ3-CB 4.12Å; W112-V135 HydrophobicContact CZ3-CG2 3.81Å; P119-V135 HydrophobicContact CB-CB 4.45Å; P119-V135 PolarHBondContact O-N 2.64Å; V121-V135 HydrophobicContact CG1-CG2 4.09Å; V135-P143 HydrophobicContact CG1-CB 3.74Å; V135-I144 WeakPolarHBondContact CA-O 3.28Å; V135-L145 HydrophobicContact CG2-CG 4.29Å |
| 136 | G | 91.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 179.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P143 I144 | G136-P143 CarbonylContact O-C 3.59Å; G136-P143 VanDerWaalsContact O-CA 3.31Å; G136-P143 WeakPolarHBondContact O-CA 3.5Å; G136-I144 PolarHBondContact N-O 2.63Å; G136-I144 VanDerWaalsContact N-O 3.14Å; G136-I144 PolarHBondContact O-N 3.3Å |
| 137 | C | 85.9 | Confident | 90.8 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 47% | 0.473 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.5 | 168.5 | -74.5 | 0 | 0 | 0 | 0 | 110 | ||
| 138 | N | 84.8 | Confident | 90.9 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | trans | -89.2 | 179 | 164.3 | 64 | 13.3 | 0 | 0 | 0 | 111.7 | K140 L141 S142 I144 | N138-K140 PolarHBondContact O-N 2.89Å; N138-K140 WeakPolarHBondContact OD1-CA 3.48Å; N138-K140 PolarHBondContact OD1-N 3.06Å; N138-L141 PolarHBondContact O-N 2.99Å; N138-L141 PolarHBondContact OD1-N 3.13Å; N138-S142 PolarHBondContact N-O 3.03Å; N138-S142 PolarHBondContact ND2-OG 3.12Å; N138-S142 PolarHBondContact OD1-N 2.88Å; N138-S142 PolarHBondContact OD1-O 3.08Å; N138-S142 PolarHBondContact OD1-OG 2.97Å; N138-S142 VanDerWaalsContact OD1-OG 3.1Å; N138-I144 HydrophobicContact CB-CD1 3.89Å | ||
| 139 | E | 79.1 | Confident | 91 | Very high | 197 Ų | 197 | 50.3 Ų | 50.3 | 92% | 0.921 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -19.4 | 174 | -57.9 | 173.5 | 163.7 | 0 | 0 | 114.5 | ||
| 140 | K | 77.6 | Confident | 91.1 | Very high | 166 Ų | 166 | 50.9 Ų | 50.9 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 17.7 | 179.2 | -60.1 | -177.4 | -179.6 | 177.2 | 0 | 112.7 | N138 S142 | N138-K140 PolarHBondContact O-N 2.89Å; N138-K140 WeakPolarHBondContact OD1-CA 3.48Å; N138-K140 PolarHBondContact OD1-N 3.06Å; K140-S142 PolarHBondContact O-N 3.18Å |
| 141 | L | 79.3 | Confident | 91 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 52.8 | 22.8 | -176.9 | -59.1 | 174.7 | 0 | 0 | 0 | 114 | N91 E94 T96 N138 | N91-L141 PolarHBondContact ND2-O 2.8Å; E94-L141 HydrophobicContact CG-CB 4.47Å; E94-L141 HydrophobicContact CG-CD1 4.4Å; T96-L141 PolarHBondContact OG1-O 3.37Å; N138-L141 PolarHBondContact O-N 2.99Å; N138-L141 PolarHBondContact OD1-N 3.13Å |
| 142 | S | 85.9 | Confident | 90.8 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -93.6 | 131.8 | 176.6 | 82.4 | 0 | 0 | 0 | 0 | 110.3 | N138 K140 | N138-S142 PolarHBondContact N-O 3.03Å; N138-S142 PolarHBondContact ND2-OG 3.12Å; N138-S142 PolarHBondContact OD1-N 2.88Å; N138-S142 PolarHBondContact OD1-O 3.08Å; N138-S142 PolarHBondContact OD1-OG 2.97Å; N138-S142 VanDerWaalsContact OD1-OG 3.1Å; K140-S142 PolarHBondContact O-N 3.18Å | ||
| 143 | P | 91.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.3 | -173.3 | 25.9 | -32.8 | 0 | 0 | 0 | 112.2 | L74 V89 S98 V135 G136 | L74-P143 HydrophobicContact CD2-CB 4.21Å; V89-P143 HydrophobicContact CB-CB 4.22Å; V89-P143 HydrophobicContact CB-CG 4.14Å; V89-P143 HydrophobicContact CG1-CB 3.89Å; V89-P143 HydrophobicContact CG1-CG 3.88Å; V89-P143 WeakPolarHBondContact O-CG 3.48Å; S98-P143 WeakPolarHBondContact CA-O 3.37Å; S98-P143 WeakPolarHBondContact CB-O 3.49Å; V135-P143 HydrophobicContact CG1-CB 3.74Å; G136-P143 CarbonylContact O-C 3.59Å; G136-P143 VanDerWaalsContact O-CA 3.31Å; G136-P143 WeakPolarHBondContact O-CA 3.5Å |
| 144 | I | 92.3 | Very high | 89.5 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 41% | 0.41 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.6 | 174.2 | -66.5 | 172.8 | 0 | 0 | 0 | 107.8 | V135 G136 N138 | V135-I144 WeakPolarHBondContact CA-O 3.28Å; G136-I144 PolarHBondContact N-O 2.63Å; G136-I144 VanDerWaalsContact N-O 3.14Å; G136-I144 PolarHBondContact O-N 3.3Å; N138-I144 HydrophobicContact CB-CD1 3.89Å |
| 145 | L | 94.6 | Very high | 88.7 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.9 | 171.3 | -71.7 | 71.7 | 0 | 0 | 0 | 108.7 | V87 V89 S98 F133 V135 | V87-L145 HydrophobicContact CG1-CD2 4.44Å; V89-L145 HydrophobicContact CB-CD1 3.86Å; V89-L145 HydrophobicContact CG2-CD1 3.69Å; V89-L145 HydrophobicContact CG2-CD2 4.22Å; V89-L145 HydrophobicContact CG2-CG 4.06Å; S98-L145 VanDerWaalsContact OG-CD1 3.29Å; S98-L145 WeakPolarHBondContact OG-CD1 3.49Å; F133-L145 HydrophobicContact CB-CB 4.2Å; F133-L145 HydrophobicContact CB-CD2 4.47Å; F133-L145 HydrophobicContact CB-CG 4.46Å; F133-L145 HydrophobicContact CD1-CB 4.14Å; F133-L145 HydrophobicContact CG-CB 4.38Å; F133-L145 HydrophobicContact CG-CD2 4.36Å; V135-L145 HydrophobicContact CG2-CG 4.29Å |
| 146 | T | 94.2 | Very high | 87.7 | Confident | 72 Ų | 72 | 68.9 Ų | 68.9 | 44% | 0.442 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.6 | 173.4 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | F133 Q134 W148 | F133-T146 CarbonylContact C-O 3.53Å; F133-T146 VanDerWaalsContact CA-O 3.27Å; F133-T146 WeakPolarHBondContact CA-O 3.24Å; Q134-T146 PolarHBondContact N-O 3.42Å; Q134-T146 PolarHBondContact O-N 3.34Å; T146-W148 PolarHBondContact O-N 3.18Å |
| 147 | P | 94.9 | Very high | 87.3 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 127.2 | 175.3 | -19.3 | 30.3 | 0 | 0 | 0 | 110.8 | F133 | F133-P147 HydrophobicContact CD1-CB 4.25Å; F133-P147 HydrophobicContact CD1-CG 4.17Å; F133-P147 HydrophobicContact CE1-CB 4.18Å; F133-P147 HydrophobicContact CE1-CG 4Å |
| 148 | W | 94.4 | Very high | 87.1 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -45.5 | -179.7 | 176.8 | 55.1 | 0 | 0 | 0 | 112.1 | T120 F132 Q134 T146 L214 V218 S223 | T120-W148 HydrophobicContact CG2-CE3 4.02Å; T120-W148 HydrophobicContact CG2-CZ3 4.25Å; F132-W148 HydrophobicContact CB-CE3 3.97Å; F132-W148 PolarHBondContact O-N 3.44Å; Q134-W148 HydrophobicContact CG-CB 3.94Å; Q134-W148 HydrophobicContact CG-CD2 4.47Å; Q134-W148 HydrophobicContact CG-CG 4.02Å; T146-W148 PolarHBondContact O-N 3.18Å; W148-L214 HydrophobicContact CH2-CB 3.63Å; W148-L214 HydrophobicContact CZ3-CB 3.69Å; W148-L214 HydrophobicContact CZ3-CD1 4.12Å; W148-V218 HydrophobicContact CD2-CG2 4.37Å; W148-V218 HydrophobicContact CZ2-CG2 4.06Å; W148-S223 WeakPolarHBondContact O-CB 3.41Å; W148-S223 PolarHBondContact O-OG 2.8Å |
| 149 | L | 95.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 136.4 | 176 | 176.2 | 62.5 | 0 | 0 | 0 | 110.7 | F132 V151 L214 I217 V218 S223 V225 | F132-L149 HydrophobicContact CB-CB 4.27Å; F132-L149 HydrophobicContact CD2-CB 4.05Å; F132-L149 HydrophobicContact CD2-CD2 4.09Å; F132-L149 HydrophobicContact CD2-CG 4.1Å; F132-L149 HydrophobicContact CE2-CD2 4.43Å; F132-L149 PolarHBondContact N-O 2.88Å; F132-L149 PolarHBondContact O-N 2.88Å; L149-V151 HydrophobicContact CD1-CG2 4.25Å; L149-V151 HydrophobicContact CD2-CG2 4.01Å; L149-V151 HydrophobicContact CG-CG2 3.98Å; L149-L214 HydrophobicContact CD2-CB 4.09Å; L149-L214 HydrophobicContact CD2-CD2 3.85Å; L149-L214 HydrophobicContact CD2-CG 4.42Å; L149-I217 HydrophobicContact CD1-CG2 4.02Å; L149-I217 HydrophobicContact CD2-CB 4.32Å; L149-I217 HydrophobicContact CD2-CG2 4.12Å; L149-V218 HydrophobicContact CB-CG2 3.76Å; L149-V218 HydrophobicContact CD1-CG2 4.02Å; L149-V218 HydrophobicContact CD2-CG2 4.1Å; L149-V218 HydrophobicContact CG-CG2 4.16Å; L149-S223 CarbonylContact C-O 3.57Å; L149-S223 WeakPolarHBondContact CA-O 3.21Å; L149-V225 HydrophobicContact CD1-CG2 3.99Å |
| 150 | T | 95.8 | Very high | 87.4 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.8 | 166.8 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | M130 F131 N152 S223 V224 V225 | M130-T150 CarbonylContact O-C 3.5Å; M130-T150 WeakPolarHBondContact O-CA 3.38Å; F131-T150 HydrophobicContact CD1-CG2 3.58Å; F131-T150 HydrophobicContact CE1-CG2 3.63Å; T150-N152 WeakPolarHBondContact CG2-OD1 3.27Å; T150-S223 PolarHBondContact N-O 3.44Å; T150-V224 WeakPolarHBondContact O-CA 3.48Å; T150-V225 PolarHBondContact O-N 2.97Å |
| 151 | V | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 96.2 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | M130 F132 L149 V225 Y227 | M130-V151 HydrophobicContact CB-CB 4.32Å; M130-V151 HydrophobicContact CE-CB 3.77Å; M130-V151 HydrophobicContact CE-CG1 3.67Å; M130-V151 HydrophobicContact CE-CG2 4.27Å; M130-V151 PolarHBondContact N-O 2.89Å; M130-V151 PolarHBondContact O-N 3.36Å; F132-V151 HydrophobicContact CE2-CG2 4.43Å; L149-V151 HydrophobicContact CD1-CG2 4.25Å; L149-V151 HydrophobicContact CD2-CG2 4.01Å; L149-V151 HydrophobicContact CG-CG2 3.98Å; V151-V225 CarbonylContact C-O 3.55Å; V151-V225 WeakPolarHBondContact CA-O 3.29Å; V151-Y227 HydrophobicContact CG1-CD2 4.07Å |
| 152 | N | 92.7 | Very high | 88.8 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 148 | -178.8 | -63.3 | -23.7 | 0 | 0 | 0 | 110.9 | E129 T150 V225 Y227 | E129-N152 WeakPolarHBondContact OE1-CA 3.15Å; T150-N152 WeakPolarHBondContact CG2-OD1 3.27Å; N152-V225 PolarHBondContact N-O 2.88Å; N152-Y227 WeakPolarHBondContact O-CB 3.36Å; N152-Y227 PolarHBondContact O-N 2.91Å |
| 153 | R | 89.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | trans | -136.3 | 126.4 | 173.6 | -62.8 | -165.3 | -165.5 | -108.6 | 5.9 | 111.8 | A128 E129 M130 L155 Y227 | A128-R153 WeakPolarHBondContact O-CD 3.38Å; A128-R153 PolarHBondContact O-NE 2.64Å; E129-R153 HydrophobicContact CG-CB 4.31Å; E129-R153 PolarHBondContact OE1-N 3.24Å; E129-R153 VanDerWaalsContact OE1-N 3.09Å; M130-R153 VanDerWaalsContact CE-NH2 3.35Å; R153-L155 HydrophobicContact CB-CD1 4.45Å; R153-L155 HydrophobicContact CB-CG 4.32Å; R153-L155 PolarHBondContact O-N 3.33Å; R153-Y227 VanDerWaalsContact NH1-CD1 3.3Å; R153-Y227 VanDerWaalsContact NH1-CD2 3.33Å; R153-Y227 VanDerWaalsContact NH1-CG 3.26Å | ||
| 154 | E | 76.2 | Confident | 89.5 | Confident | 197 Ų | 197 | 53.4 Ų | 53.4 | 92% | 0.921 | 30% | 0.302 | S | S | * | . | trans | -86.2 | 53.8 | 173.5 | -64.3 | 178.4 | 175.2 | 0 | 0 | 110.8 | ||||
| 155 | L | 79.4 | Confident | 89.6 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | trans | -84.5 | 116 | 175.6 | -78.8 | 175.2 | 0 | 0 | 0 | 110.6 | Y127 A128 R153 V157 V205 | Y127-L155 WeakPolarHBondContact CD1-O 3.49Å; Y127-L155 WeakPolarHBondContact O-CD1 3.32Å; A128-L155 HydrophobicContact CB-CD1 4.37Å; R153-L155 HydrophobicContact CB-CD1 4.45Å; R153-L155 HydrophobicContact CB-CG 4.32Å; R153-L155 PolarHBondContact O-N 3.33Å; L155-V157 PolarHBondContact O-N 3.16Å; L155-V205 HydrophobicContact CD1-CG1 3.87Å | ||
| 156 | S | 73.2 | Confident | 89.5 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 85% | 0.846 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -74.5 | -6.8 | -178.9 | -36.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 157 | V | 82.2 | Confident | 89.4 | Confident | 113 Ų | 113 | 46.2 Ų | 46.2 | 69% | 0.685 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -136.2 | 141.4 | -175.9 | -173 | 0 | 0 | 0 | 0 | 108.2 | L155 | L155-V157 PolarHBondContact O-N 3.16Š|
| 158 | M | 82.7 | Confident | 88.7 | Confident | 107 Ų | 107 | 42.9 Ų | 42.9 | 53% | 0.527 | 24% | 0.241 | S | C | . | . | trans | -66.3 | 142.5 | 176.9 | -64.1 | 179.1 | -170.6 | 0 | 0 | 111.1 | I126 Y127 | I126-M158 HydrophobicContact CB-CG 4.19Å; I126-M158 HydrophobicContact CB-SD 4.19Å; I126-M158 HydrophobicContact CD1-CE 3.58Å; I126-M158 HydrophobicContact CD1-CG 4.42Å; I126-M158 HydrophobicContact CD1-SD 3.88Å; I126-M158 HydrophobicContact CG1-CE 4.44Å; I126-M158 HydrophobicContact CG1-CG 4.34Å; I126-M158 HydrophobicContact CG1-SD 4.33Å; I126-M158 CarbonylContact O-C 3.46Å; I126-M158 VanDerWaalsContact O-CA 3.28Å; I126-M158 WeakPolarHBondContact O-CA 3.36Å; I126-M158 WeakPolarHBondContact O-CB 3.43Å; Y127-M158 HydrophobicContact CD1-CG 4Å; Y127-M158 HydrophobicContact CE1-CB 4.49Å; Y127-M158 HydrophobicContact CE1-CE 4.31Å; Y127-M158 HydrophobicContact CE1-CG 3.53Å; Y127-M158 HydrophobicContact CE2-CE 4.35Å; Y127-M158 VanDerWaalsContact OH-CE 3.3Å; Y127-M158 WeakPolarHBondContact OH-CE 3.35Å | ||
| 159 | C | 83.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 14% | 0.142 | 24% | 0.239 | C | C | . | . | trans | -78.3 | 143.4 | 172.6 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | I126 Y161 P162 G206 | I126-C159 PolarHBondContact O-N 3.07Å; C159-Y161 VanDerWaalsContact SG-C 3.58Å; C159-P162 HydrophobicContact CB-CB 3.83Å; C159-P162 HydrophobicContact CB-CG 4.01Å; C159-P162 WeakPolarHBondContact O-CD 3.35Å; C159-G206 PolarHBondContact SG-N 3.45Å | ||
| 160 | G | 85.6 | Confident | 85.3 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -70 | -44 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I62 P162 | I62-G160 VanDerWaalsContact CD1-O 3.24Å; I62-G160 WeakPolarHBondContact CD1-O 3.35Å; G160-P162 VanDerWaalsContact C-CD 3.45Å; G160-P162 WeakPolarHBondContact O-CD 3.48Å |
| 161 | Y | 92.1 | Very high | 83.2 | Confident | 36 Ų | 36 | 47.3 Ų | 47.3 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | trans | -126.9 | 68.2 | -178.8 | -57.2 | -97.2 | 0 | 0 | 0 | 110.7 | I62 C159 L163 T204 V242 T244 E260 | I62-Y161 HydrophobicContact CG2-CD1 3.42Å; I62-Y161 VanDerWaalsContact CG2-CD1 3.42Å; I62-Y161 HydrophobicContact CG2-CE1 3.81Å; I62-Y161 HydrophobicContact CG2-CG 4.24Å; C159-Y161 VanDerWaalsContact SG-C 3.58Å; Y161-L163 PolarHBondContact O-N 3.07Å; Y161-T204 VanDerWaalsContact O-O 3.1Å; Y161-T204 PolarHBondContact O-OG1 2.89Å; Y161-V242 HydrophobicContact CD2-CG1 3.71Å; Y161-V242 HydrophobicContact CE2-CG1 4.2Å; Y161-T244 HydrophobicContact CD1-CG2 4.36Å; Y161-T244 VanDerWaalsContact CD1-O 3.31Å; Y161-T244 WeakPolarHBondContact CD1-O 3.26Å; Y161-T244 HydrophobicContact CD2-CG2 4.32Å; Y161-T244 HydrophobicContact CE1-CG2 3.99Å; Y161-T244 HydrophobicContact CE2-CG2 3.96Å; Y161-E260 HydrophobicContact CE2-CG 4.04Å; Y161-E260 WeakPolarHBondContact CE2-OE1 3.3Å | ||
| 162 | P | 94.2 | Very high | 80.6 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | trans | -77.7 | 79.5 | 169.6 | 31.7 | -28.3 | 0 | 0 | 0 | 108.1 | V108 I124 D125 A128 C159 G160 | V108-P162 HydrophobicContact CB-CG 4.12Å; V108-P162 HydrophobicContact CG1-CG 4.03Å; V108-P162 HydrophobicContact CG2-CG 3.93Å; I124-P162 HydrophobicContact CD1-CB 4.06Å; I124-P162 HydrophobicContact CG1-CB 4.19Å; I124-P162 WeakPolarHBondContact CG2-O 3.4Å; D125-P162 VanDerWaalsContact O-CB 3.28Å; D125-P162 WeakPolarHBondContact O-CB 3.37Å; D125-P162 WeakPolarHBondContact O-CG 3.49Å; A128-P162 HydrophobicContact CB-CB 4.07Å; C159-P162 HydrophobicContact CB-CB 3.83Å; C159-P162 HydrophobicContact CB-CG 4.01Å; C159-P162 WeakPolarHBondContact O-CD 3.35Å; G160-P162 VanDerWaalsContact C-CD 3.45Å; G160-P162 WeakPolarHBondContact O-CD 3.48Å | ||
| 163 | L | 95.7 | Very high | 77.9 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -116.1 | 160.6 | 177.9 | -55.4 | -178.7 | 0 | 0 | 0 | 108.9 | I62 G63 V108 H109 Y161 A203 T204 Y245 | I62-L163 HydrophobicContact CG2-CD1 4.33Å; I62-L163 HydrophobicContact CG2-CD2 4.44Å; G63-L163 VanDerWaalsContact CA-CD2 3.49Å; V108-L163 HydrophobicContact CG1-CD2 4.36Å; H109-L163 HydrophobicContact CB-CD2 3.75Å; Y161-L163 PolarHBondContact O-N 3.07Å; L163-A203 WeakPolarHBondContact O-CA 3.38Å; L163-T204 PolarHBondContact N-OG1 3.06Å; L163-T204 PolarHBondContact O-N 2.72Å; L163-T204 PolarHBondContact O-OG1 3.37Å; L163-T204 VanDerWaalsContact O-OG1 3.11Å; L163-Y245 HydrophobicContact CD1-CD2 3.78Å; L163-Y245 HydrophobicContact CD1-CE2 4.31Å | ||
| 164 | F | 96.1 | Very high | 75.2 | Confident | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.5 | 167.6 | 77.6 | -81.3 | 0 | 0 | 0 | 109.6 | H109 A111 G122 I124 F132 W166 I201 V202 A203 | H109-F164 AromaticContact CD2-CD1 3.9Å; H109-F164 AromaticContact CD2-CE1 3.76Å; H109-F164 PolarHBondContact NE2-O 2.91Å; A111-F164 HydrophobicContact CB-CE2 4.25Å; A111-F164 HydrophobicContact CB-CZ 3.94Å; G122-F164 WeakPolarHBondContact O-CZ 3.47Å; I124-F164 HydrophobicContact CB-CD1 3.95Å; I124-F164 HydrophobicContact CB-CE1 4.33Å; I124-F164 HydrophobicContact CG2-CD1 3.66Å; I124-F164 HydrophobicContact CG2-CE1 4.06Å; F132-F164 HydrophobicContact CE1-CE2 4.28Å; F164-W166 AromaticContact CE2-CD1 3.77Å; F164-W166 HydrophobicContact CE2-CD2 4.41Å; F164-W166 AromaticContact CE2-CE2 3.87Å; F164-W166 HydrophobicContact CE2-CG 4.36Å; F164-W166 HydrophobicContact CE2-CZ2 4.44Å; F164-W166 AromaticContact CE2-NE1 3.44Å; F164-W166 AromaticContact CZ-NE1 3.96Å; F164-I201 HydrophobicContact CD2-CB 4.23Å; F164-I201 HydrophobicContact CD2-CD1 4.16Å; F164-I201 HydrophobicContact CD2-CG2 4.08Å; F164-I201 HydrophobicContact CE2-CG2 4.4Å; F164-V202 CarbonylContact C-O 3.57Å; F164-V202 WeakPolarHBondContact CA-O 3.43Å; F164-V202 WeakPolarHBondContact CB-O 3.44Å; F164-A203 HydrophobicContact CB-CB 3.81Å |
| 165 | S | 94.3 | Very high | 73.1 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.9 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | I201 V202 A246 | S165-I201 CarbonylContact O-C 3.57Å; S165-I201 VanDerWaalsContact O-CA 3.25Å; S165-I201 WeakPolarHBondContact O-CA 3.22Å; S165-V202 PolarHBondContact N-O 2.61Å; S165-V202 PolarHBondContact O-N 3.19Å; S165-A246 WeakPolarHBondContact CB-O 3.44Å |
| 166 | W | 93.4 | Very high | 70.7 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 2% | 0.019 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.2 | 170.7 | -66.3 | 98.5 | 0 | 0 | 0 | 110.3 | A111 W112 A113 Y114 T120 F132 F164 P168 I201 L214 | A111-W166 PolarHBondContact O-NE1 2.79Å; W112-W166 PolarHBondContact O-NE1 3.48Å; A113-W166 HydrophobicContact CB-CD2 3.72Å; A113-W166 HydrophobicContact CB-CE3 3.72Å; A113-W166 HydrophobicContact CB-CG 4.38Å; A113-W166 HydrophobicContact CB-CH2 3.94Å; A113-W166 HydrophobicContact CB-CZ2 3.9Å; A113-W166 HydrophobicContact CB-CZ3 3.84Å; Y114-W166 HydrophobicContact CD2-CB 3.93Å; Y114-W166 HydrophobicContact CE2-CB 3.98Å; T120-W166 HydrophobicContact CG2-CH2 3.85Å; T120-W166 HydrophobicContact CG2-CZ2 4.17Å; F132-W166 AromaticContact CD1-CH2 3.79Å; F132-W166 HydrophobicContact CD1-CH2 3.79Å; F132-W166 AromaticContact CD1-CZ2 3.78Å; F132-W166 HydrophobicContact CD1-CZ2 3.78Å; F132-W166 HydrophobicContact CE1-CH2 4.14Å; F132-W166 HydrophobicContact CE1-CZ2 4.05Å; F164-W166 AromaticContact CE2-CD1 3.77Å; F164-W166 HydrophobicContact CE2-CD2 4.41Å; F164-W166 AromaticContact CE2-CE2 3.87Å; F164-W166 HydrophobicContact CE2-CG 4.36Å; F164-W166 HydrophobicContact CE2-CZ2 4.44Å; F164-W166 AromaticContact CE2-NE1 3.44Å; F164-W166 AromaticContact CZ-NE1 3.96Å; W166-P168 WeakPolarHBondContact O-CD 3.39Å; W166-I201 HydrophobicContact CD2-CG2 3.58Å; W166-I201 HydrophobicContact CE3-CG2 3.29Å; W166-I201 HydrophobicContact CG-CG2 4.14Å; W166-I201 HydrophobicContact CH2-CG2 4.33Å; W166-I201 HydrophobicContact CZ3-CG2 3.7Å; W166-L214 HydrophobicContact CH2-CD1 3.65Å; W166-L214 HydrophobicContact CZ3-CD1 3.73Å |
| 167 | C | 90.6 | Very high | 68.7 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | trans | -61.3 | 125.9 | 163.6 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | Y169 M200 L248 | C167-Y169 PolarHBondContact O-N 2.89Å; C167-M200 HydrophobicContact CB-CB 4.02Å; C167-M200 PolarHBondContact N-O 2.88Å; C167-L248 HydrophobicContact CB-CB 4.42Å; C167-L248 HydrophobicContact CB-CD1 3.89Å | ||
| 168 | P | 80.6 | Confident | 66.3 | Low | 16 Ų | 16 | 69 Ų | 69 | 10% | 0.104 | 34% | 0.343 | C | S | . | . | trans | -63.3 | -24.5 | 177.9 | -23.2 | 33.3 | 0 | 0 | 0 | 114.6 | Y114 W166 P250 L298 | Y114-P168 WeakPolarHBondContact CB-O 3.49Å; Y114-P168 HydrophobicContact CD1-CB 4.5Å; Y114-P168 VanDerWaalsContact CD2-CA 3.47Å; Y114-P168 HydrophobicContact CD2-CB 4.34Å; Y114-P168 HydrophobicContact CE1-CB 4.42Å; Y114-P168 HydrophobicContact CE2-CB 4.22Å; Y114-P168 HydrophobicContact CE2-CG 4.25Å; Y114-P168 HydrophobicContact CG-CB 4.44Å; W166-P168 WeakPolarHBondContact O-CD 3.39Å; P168-P250 HydrophobicContact CB-CB 4.07Å; P168-P250 HydrophobicContact CB-CG 4.36Å; P168-P250 HydrophobicContact CG-CB 4.44Å; P168-P250 HydrophobicContact CG-CG 4.33Å; P168-L298 HydrophobicContact CB-CD1 3.96Å; P168-L298 HydrophobicContact CB-CD2 3.62Å; P168-L298 HydrophobicContact CB-CG 4.36Å; P168-L298 HydrophobicContact CG-CD1 4.21Å; P168-L298 HydrophobicContact CG-CD2 4.07Å | ||
| 169 | Y | 65.4 | Low | 64.1 | Low | 34 Ų | 34 | 68.1 Ų | 68.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | trans | 45.4 | 68.1 | 176.4 | -166 | -130.1 | 0 | 0 | 0 | 115.8 | C167 K171 S194 Y197 A198 P250 | C167-Y169 PolarHBondContact O-N 2.89Å; Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 HydrophobicContact CD2-CG 4.44Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CD 4.39Å; Y169-K171 HydrophobicContact CE1-CG 4.46Å; Y169-K171 HydrophobicContact CE2-CB 4.36Å; Y169-K171 HydrophobicContact CE2-CD 3.84Å; Y169-K171 HydrophobicContact CE2-CG 3.68Å; Y169-K171 PolarHBondContact O-N 2.83Å; Y169-K171 VanDerWaalsContact OH-CD 3.25Å; Y169-K171 WeakPolarHBondContact OH-CD 3.34Å; Y169-K171 VanDerWaalsContact OH-CE 3.24Å; Y169-K171 WeakPolarHBondContact OH-CE 3.39Å; Y169-K171 PolarHBondContact OH-NZ 2.84Å; Y169-S194 VanDerWaalsContact CE1-O 3.22Å; Y169-S194 WeakPolarHBondContact CE1-O 3.3Å; Y169-S194 VanDerWaalsContact CZ-O 3.25Å; Y169-S194 WeakPolarHBondContact OH-CA 3.5Å; Y169-S194 PolarHBondContact OH-O 2.74Å; Y169-Y197 HydrophobicContact CD2-CG 4.06Å; Y169-Y197 HydrophobicContact CE2-CD1 4.48Å; Y169-Y197 AromaticContact CE2-CD2 3.9Å; Y169-Y197 HydrophobicContact CE2-CD2 3.9Å; Y169-Y197 AromaticContact CE2-CG 3.65Å; Y169-Y197 HydrophobicContact CE2-CG 3.65Å; Y169-A198 HydrophobicContact CD1-CB 3.71Å; Y169-A198 HydrophobicContact CE1-CB 4.16Å; Y169-P250 CarbonylContact C-O 3.49Å; Y169-P250 WeakPolarHBondContact CA-O 3.29Å; Y169-P250 PolarHBondContact N-O 3.4Å; Y169-P250 VanDerWaalsContact N-O 3.15Å | ||
| 170 | A | 53.5 | Low | 61.6 | Low | 22 Ų | 22 | 69.8 Ų | 69.8 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -76.7 | 77.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P250 V301 F311 | A170-P250 HydrophobicContact CB-CB 3.87Å; A170-P250 PolarHBondContact N-O 3.11Å; A170-V301 HydrophobicContact CB-CG2 3.84Å; A170-F311 HydrophobicContact CB-CE1 3.84Å; A170-F311 HydrophobicContact CB-CE2 4.37Å; A170-F311 HydrophobicContact CB-CZ 3.5Å | ||
| 171 | K | 51.2 | Low | 59.3 | Low | 101 Ų | 101 | 74 Ų | 74 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | trans | -93.6 | 149.8 | 160.1 | -91.1 | -164.1 | -172 | 157.9 | 0 | 112 | Y169 E173 | Y169-K171 VanDerWaalsContact C-N 3.33Å; Y169-K171 HydrophobicContact CD2-CG 4.44Å; Y169-K171 HydrophobicContact CE1-CB 4.42Å; Y169-K171 HydrophobicContact CE1-CD 4.39Å; Y169-K171 HydrophobicContact CE1-CG 4.46Å; Y169-K171 HydrophobicContact CE2-CB 4.36Å; Y169-K171 HydrophobicContact CE2-CD 3.84Å; Y169-K171 HydrophobicContact CE2-CG 3.68Å; Y169-K171 PolarHBondContact O-N 2.83Å; Y169-K171 VanDerWaalsContact OH-CD 3.25Å; Y169-K171 WeakPolarHBondContact OH-CD 3.34Å; Y169-K171 VanDerWaalsContact OH-CE 3.24Å; Y169-K171 WeakPolarHBondContact OH-CE 3.39Å; Y169-K171 PolarHBondContact OH-NZ 2.84Å; K171-E173 PolarHBondContact O-N 2.74Å | ||
| 172 | R | 40.8 | Very low | 56.7 | Low | 160 Ų | 160 | 78.1 Ų | 78.1 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | trans | -68 | 92.9 | 168.3 | -74.3 | 173.6 | 165.6 | 178.3 | -11.6 | 109.7 | Q174 T306 | R172-Q174 PolarHBondContact O-N 3.32Å; R172-T306 PolarHBondContact NH2-O 3.37Å | ||
| 173 | E | 35.6 | Very low | 53.9 | Low | 112 Ų | 112 | 82 Ų | 82 | 52% | 0.523 | 41% | 0.407 | S | S | . | . | trans | -74.5 | 108.5 | 159.2 | -67.1 | 176 | 147.9 | 0 | 0 | 107 | K171 F175 | K171-E173 PolarHBondContact O-N 2.74Å; E173-F175 HydrophobicContact CB-CD2 3.78Å; E173-F175 HydrophobicContact CB-CE2 3.62Å; E173-F175 HydrophobicContact CG-CE2 4.38Å; E173-F175 PolarHBondContact O-N 2.95Å | ||
| 174 | Q | 32 | Very low | 51.2 | Low | 175 Ų | 175 | 86.7 Ų | 86.7 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | trans | -75.9 | 75.9 | 174.5 | -70.3 | -178.1 | -84.6 | 0 | 0 | 109.1 | R172 E176 | R172-Q174 PolarHBondContact O-N 3.32Å; Q174-E176 VanDerWaalsContact C-N 3.3Å; Q174-E176 PolarHBondContact O-N 3.39Å | ||
| 175 | F | 33.9 | Very low | 48.1 | Very low | 126 Ų | 126 | 90.8 Ų | 90.8 | 55% | 0.553 | 47% | 0.466 | S | S | * | . | trans | -72.2 | 88.8 | 167.5 | -77.6 | -70 | 0 | 0 | 0 | 109.7 | E173 V179 | E173-F175 HydrophobicContact CB-CD2 3.78Å; E173-F175 HydrophobicContact CB-CE2 3.62Å; E173-F175 HydrophobicContact CG-CE2 4.38Å; E173-F175 PolarHBondContact O-N 2.95Å; F175-V179 HydrophobicContact CD1-CG2 3.64Å; F175-V179 HydrophobicContact CE1-CG2 3.73Å | ||
| 176 | E | 27.3 | Very low | 45 | Very low | 170 Ų | 170 | 98.1 Ų | 98.1 | 79% | 0.794 | 50% | 0.499 | S | S | * | . | trans | -69.5 | 126.6 | 153.6 | -66.3 | -168.5 | 150.4 | 0 | 0 | 108.4 | Q174 | Q174-E176 VanDerWaalsContact C-N 3.3Å; Q174-E176 PolarHBondContact O-N 3.39Å | ||
| 177 | S | 32 | Very low | 42.3 | Very low | 104 Ų | 104 | 100.4 Ų | 100.4 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 67.2 | 152.8 | -176.5 | 72.6 | 0 | 0 | 0 | 0 | 117.5 | V179 | S177-V179 PolarHBondContact O-N 3.24Š|
| 178 | E | 31.4 | Very low | 39.4 | Very low | 192 Ų | 192 | 109.2 Ų | 109.2 | 90% | 0.897 | 56% | 0.56 | S | S | * | * | trans | -73.5 | 109.2 | 177.2 | -61.8 | 179.7 | 133.7 | 0 | 0 | 109.8 | S180 | E178-S180 PolarHBondContact O-N 3.34Š| ||
| 179 | V | 36.2 | Very low | 37.1 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 53% | 0.527 | 60% | 0.597 | S | S | . | * | trans | -67.2 | 122.5 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | F175 S177 D183 | F175-V179 HydrophobicContact CD1-CG2 3.64Å; F175-V179 HydrophobicContact CE1-CG2 3.73Å; S177-V179 PolarHBondContact O-N 3.24Å; V179-D183 HydrophobicContact CG1-CB 3.79Å | ||
| 180 | S | 32.2 | Very low | 35.8 | Very low | 56 Ų | 56 | 118.6 Ų | 118.6 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | trans | -70.3 | 158.4 | -178.3 | 82.1 | 0 | 0 | 0 | 0 | 111.5 | E178 I182 D183 | E178-S180 PolarHBondContact O-N 3.34Å; S180-I182 PolarHBondContact O-N 2.9Å; S180-I182 PolarHBondContact OG-N 3.39Å; S180-D183 PolarHBondContact N-OD2 3.17Å; S180-D183 PolarHBondContact O-N 2.87Å; S180-D183 PolarHBondContact OG-OD2 2.82Å | ||
| 181 | E | 36.7 | Very low | 34.8 | Very low | 131 Ų | 131 | 124 Ų | 124 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -1 | 178.9 | -64.4 | -164 | 125.1 | 0 | 0 | 114.3 | R73 | R73-E181 IonicContact CZ-OE1 3.21Å; R73-E181 IonicContact NH1-OE1 2.71Å; R73-E181 PolarHBondContact NH1-OE1 3Å; R73-E181 IonicContact NH2-OE1 2.64Å; R73-E181 PolarHBondContact NH2-OE1 3.42Å |
| 182 | I | 37.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -32.2 | -177.5 | -60.1 | 177.2 | 0 | 0 | 0 | 111.9 | S180 L184 M618 | S180-I182 PolarHBondContact O-N 2.9Å; S180-I182 PolarHBondContact OG-N 3.39Å; I182-L184 PolarHBondContact O-N 2.8Å; I182-L184 VanDerWaalsContact O-N 3.09Å; I182-M618 HydrophobicContact CD1-CE 4.46Å |
| 183 | D | 36.4 | Very low | 34.2 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 44% | 0.444 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -75.6 | -0.9 | -171.6 | -54.8 | -63.3 | 0 | 0 | 0 | 114 | V179 S180 A185 E186 | V179-D183 HydrophobicContact CG1-CB 3.79Å; S180-D183 PolarHBondContact N-OD2 3.17Å; S180-D183 PolarHBondContact O-N 2.87Å; S180-D183 PolarHBondContact OG-OD2 2.82Å; D183-A185 PolarHBondContact O-N 3.24Å; D183-E186 PolarHBondContact O-N 3.49Å; D183-E186 VanDerWaalsContact O-N 3.08Å |
| 184 | L | 39.3 | Very low | 34.7 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -60.7 | -2.5 | 175.3 | -72.8 | 170.4 | 0 | 0 | 0 | 114.9 | F117 I182 | F117-L184 HydrophobicContact CD2-CD2 4.46Å; F117-L184 VanDerWaalsContact CE2-O 3.22Å; F117-L184 WeakPolarHBondContact CE2-O 3.38Å; F117-L184 WeakPolarHBondContact CZ-O 3.18Å; I182-L184 PolarHBondContact O-N 2.8Å; I182-L184 VanDerWaalsContact O-N 3.09Å |
| 185 | A | 31 | Very low | 35.6 | Very low | 89 Ų | 89 | 109.3 Ų | 109.3 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -98.3 | -24.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D183 | D183-A185 PolarHBondContact O-N 3.24Š|
| 186 | E | 27.8 | Very low | 37 | Very low | 168 Ų | 168 | 105.5 Ų | 105.5 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | 6.1 | -170.2 | -61.6 | -157.7 | 164.3 | 0 | 0 | 114.4 | D183 Q188 | D183-E186 PolarHBondContact O-N 3.49Å; D183-E186 VanDerWaalsContact O-N 3.08Å; E186-Q188 PolarHBondContact O-N 3.28Å |
| 187 | A | 36.6 | Very low | 39.1 | Very low | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | trans | -54.6 | 99.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F117 | F117-A187 HydrophobicContact CD1-CB 4.05Å; F117-A187 HydrophobicContact CE1-CB 4.32Å | ||
| 188 | Q | 31.2 | Very low | 41.1 | Very low | 184 Ų | 184 | 97.6 Ų | 97.6 | 86% | 0.86 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 138.5 | -171.5 | -62.7 | -174.7 | 5 | 0 | 0 | 110.9 | E186 P190 | E186-Q188 PolarHBondContact O-N 3.28Å; Q188-P190 VanDerWaalsContact O-N 3.11Å |
| 189 | L | 32.6 | Very low | 43.9 | Very low | 168 Ų | 168 | 88.9 Ų | 88.9 | 88% | 0.88 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 118.1 | 178.8 | -79.4 | 158 | 0 | 0 | 0 | 109.8 | ||
| 190 | P | 36.7 | Very low | 46.5 | Very low | 80 Ų | 80 | 84.9 Ų | 84.9 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 142.6 | -170 | 23.7 | -34.1 | 0 | 0 | 0 | 110.9 | Q188 | Q188-P190 VanDerWaalsContact O-N 3.11Š|
| 191 | D | 32.3 | Very low | 49.5 | Very low | 134 Ų | 134 | 82.2 Ų | 82.2 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -44 | 140.9 | -174.4 | -104.8 | -44.9 | 0 | 0 | 0 | 113 | A193 S194 G195 | D191-A193 PolarHBondContact O-N 2.82Å; D191-S194 PolarHBondContact O-N 3.08Å; D191-S194 PolarHBondContact O-OG 3.46Å; D191-S194 VanDerWaalsContact O-OG 3.13Å; D191-G195 PolarHBondContact O-N 2.82Å | ||
| 192 | N | 40.2 | Very low | 52.3 | Low | 115 Ų | 115 | 76 Ų | 76 | 62% | 0.615 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -9.2 | -163.5 | -82 | -95.7 | 0 | 0 | 0 | 116 | N196 K219 | N192-N196 PolarHBondContact O-ND2 2.9Å; N192-K219 PolarHBondContact OD1-NZ 2.98Å |
| 193 | A | 40.4 | Very low | 55.2 | Low | 71 Ų | 71 | 70.2 Ų | 70.2 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -25.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D191 | D191-A193 PolarHBondContact O-N 2.82Š|
| 194 | S | 44.6 | Very low | 58 | Low | 35 Ų | 35 | 66.3 Ų | 66.3 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -36.3 | -178.3 | 68.1 | 0 | 0 | 0 | 0 | 112.7 | Y169 D191 N196 | Y169-S194 VanDerWaalsContact CE1-O 3.22Å; Y169-S194 WeakPolarHBondContact CE1-O 3.3Å; Y169-S194 VanDerWaalsContact CZ-O 3.25Å; Y169-S194 WeakPolarHBondContact OH-CA 3.5Å; Y169-S194 PolarHBondContact OH-O 2.74Å; D191-S194 PolarHBondContact O-N 3.08Å; D191-S194 PolarHBondContact O-OG 3.46Å; D191-S194 VanDerWaalsContact O-OG 3.13Å; S194-N196 PolarHBondContact O-N 2.96Å |
| 195 | G | 51.5 | Low | 60.6 | Low | 19 Ų | 19 | 62 Ų | 62 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -21.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | D191 A198 S199 | D191-G195 PolarHBondContact O-N 2.82Å; G195-A198 PolarHBondContact O-N 3.4Å; G195-S199 PolarHBondContact O-N 3.25Å |
| 196 | N | 62.5 | Low | 63.6 | Low | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | -171.6 | -64.1 | -24.7 | 0 | 0 | 0 | 113.2 | N192 S194 S199 M200 I213 S215 | N192-N196 PolarHBondContact O-ND2 2.9Å; S194-N196 PolarHBondContact O-N 2.96Å; N196-S199 CarbonylContact O-C 3.56Å; N196-S199 WeakPolarHBondContact O-CA 3.36Å; N196-S199 PolarHBondContact O-N 3.41Å; N196-S199 VanDerWaalsContact O-N 3.08Å; N196-S199 PolarHBondContact O-OG 3.1Å; N196-M200 PolarHBondContact O-N 3.18Å; N196-I213 HydrophobicContact CB-CG2 3.85Å; N196-S215 PolarHBondContact OD1-OG 3.39Å |
| 197 | Y | 71.9 | Confident | 66.8 | Low | 88 Ų | 88 | 55.7 Ų | 55.7 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 179.9 | -66.3 | -92 | 0 | 0 | 0 | 112.8 | Y169 S199 M200 | Y169-Y197 HydrophobicContact CD2-CG 4.06Å; Y169-Y197 HydrophobicContact CE2-CD1 4.48Å; Y169-Y197 AromaticContact CE2-CD2 3.9Å; Y169-Y197 HydrophobicContact CE2-CD2 3.9Å; Y169-Y197 AromaticContact CE2-CG 3.65Å; Y169-Y197 HydrophobicContact CE2-CG 3.65Å; Y197-S199 PolarHBondContact O-N 3.15Å; Y197-M200 HydrophobicContact CD1-CE 3.47Å; Y197-M200 VanDerWaalsContact CD1-CE 3.47Å; Y197-M200 HydrophobicContact CE1-CE 3.88Å; Y197-M200 HydrophobicContact CG-CE 4.23Å; Y197-M200 VanDerWaalsContact O-CB 3.23Å; Y197-M200 WeakPolarHBondContact O-CB 3.31Å; Y197-M200 PolarHBondContact O-N 3.37Å |
| 198 | A | 75.3 | Confident | 69.6 | Low | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.2 | -23.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y169 G195 | Y169-A198 HydrophobicContact CD1-CB 3.71Å; Y169-A198 HydrophobicContact CE1-CB 4.16Å; G195-A198 PolarHBondContact O-N 3.4Å |
| 199 | S | 88.6 | Confident | 72.7 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.3 | 173.5 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | G195 N196 Y197 L214 S215 | G195-S199 PolarHBondContact O-N 3.25Å; N196-S199 CarbonylContact O-C 3.56Å; N196-S199 WeakPolarHBondContact O-CA 3.36Å; N196-S199 PolarHBondContact O-N 3.41Å; N196-S199 VanDerWaalsContact O-N 3.08Å; N196-S199 PolarHBondContact O-OG 3.1Å; Y197-S199 PolarHBondContact O-N 3.15Å; S199-L214 WeakPolarHBondContact O-CB 3.4Å; S199-L214 VanDerWaalsContact O-CG 3.3Å; S199-L214 WeakPolarHBondContact O-CG 3.37Å; S199-L214 PolarHBondContact O-N 2.86Å; S199-L214 PolarHBondContact OG-N 3.41Å; S199-S215 WeakPolarHBondContact OG-CB 3.43Å; S199-S215 PolarHBondContact OG-N 3.23Å; S199-S215 PolarHBondContact OG-OG 3.14Å; S199-S215 VanDerWaalsContact OG-OG 3.09Å |
| 200 | M | 91.6 | Very high | 75.6 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.7 | -178 | -169 | -173.3 | -58.1 | 0 | 0 | 110.6 | C167 N196 Y197 V211 M212 I213 L248 F272 | C167-M200 HydrophobicContact CB-CB 4.02Å; C167-M200 PolarHBondContact N-O 2.88Å; N196-M200 PolarHBondContact O-N 3.18Å; Y197-M200 HydrophobicContact CD1-CE 3.47Å; Y197-M200 VanDerWaalsContact CD1-CE 3.47Å; Y197-M200 HydrophobicContact CE1-CE 3.88Å; Y197-M200 HydrophobicContact CG-CE 4.23Å; Y197-M200 VanDerWaalsContact O-CB 3.23Å; Y197-M200 WeakPolarHBondContact O-CB 3.31Å; Y197-M200 PolarHBondContact O-N 3.37Å; M200-V211 HydrophobicContact CG-CG1 3.99Å; M200-V211 HydrophobicContact SD-CG1 3.92Å; M200-M212 WeakPolarHBondContact CA-O 3.48Å; M200-I213 HydrophobicContact CE-CD1 4.35Å; M200-I213 HydrophobicContact CE-CG1 4.3Å; M200-I213 HydrophobicContact CG-CG1 4.32Å; M200-L248 HydrophobicContact CG-CD1 3.88Å; M200-L248 HydrophobicContact SD-CD1 3.77Å; M200-F272 HydrophobicContact CE-CE1 4.04Å; M200-F272 HydrophobicContact CE-CZ 3.61Å; M200-F272 HydrophobicContact SD-CE1 4.31Å; M200-F272 HydrophobicContact SD-CZ 4.46Å |
| 201 | I | 95.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 158 | 172.1 | 65.8 | 169.6 | 0 | 0 | 0 | 110.7 | M130 F132 F164 S165 W166 V211 M212 L214 | M130-I201 HydrophobicContact SD-CD1 4.47Å; F132-I201 HydrophobicContact CE1-CD1 4.09Å; F132-I201 HydrophobicContact CZ-CD1 3.63Å; F164-I201 HydrophobicContact CD2-CB 4.23Å; F164-I201 HydrophobicContact CD2-CD1 4.16Å; F164-I201 HydrophobicContact CD2-CG2 4.08Å; F164-I201 HydrophobicContact CE2-CG2 4.4Å; S165-I201 CarbonylContact O-C 3.57Å; S165-I201 VanDerWaalsContact O-CA 3.25Å; S165-I201 WeakPolarHBondContact O-CA 3.22Å; W166-I201 HydrophobicContact CD2-CG2 3.58Å; W166-I201 HydrophobicContact CE3-CG2 3.29Å; W166-I201 HydrophobicContact CG-CG2 4.14Å; W166-I201 HydrophobicContact CH2-CG2 4.33Å; W166-I201 HydrophobicContact CZ3-CG2 3.7Å; I201-V211 CarbonylContact O-C 3.56Å; I201-V211 WeakPolarHBondContact O-CA 3.46Å; I201-M212 HydrophobicContact CD1-CE 3.75Å; I201-M212 HydrophobicContact CG1-CB 3.99Å; I201-M212 HydrophobicContact CG1-CE 4.05Å; I201-M212 PolarHBondContact N-O 2.98Å; I201-M212 PolarHBondContact O-N 2.95Å; I201-L214 HydrophobicContact CD1-CD1 4.26Å; I201-L214 HydrophobicContact CD1-CD2 3.98Å; I201-L214 HydrophobicContact CD1-CG 4.45Å; I201-L214 HydrophobicContact CG1-CD1 4.5Å; I201-L214 HydrophobicContact CG1-CD2 4.16Å; I201-L214 HydrophobicContact CG1-CG 4.38Å; I201-L214 HydrophobicContact CG2-CD1 4.13Å |
| 202 | V | 96.1 | Very high | 81.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | 156 | 60.8 | 0 | 0 | 0 | 0 | 109 | F164 S165 A209 Q210 V211 A246 L248 L255 | F164-V202 CarbonylContact C-O 3.57Å; F164-V202 WeakPolarHBondContact CA-O 3.43Å; F164-V202 WeakPolarHBondContact CB-O 3.44Å; S165-V202 PolarHBondContact N-O 2.61Å; S165-V202 PolarHBondContact O-N 3.19Å; V202-A209 HydrophobicContact CG2-CB 4.12Å; V202-Q210 WeakPolarHBondContact CA-O 3.19Å; V202-V211 HydrophobicContact CB-CG2 4.34Å; V202-V211 HydrophobicContact CG2-CG2 4.2Å; V202-A246 HydrophobicContact CG1-CB 4.29Å; V202-A246 WeakPolarHBondContact CG1-O 3.29Å; V202-A246 HydrophobicContact CG2-CB 4.12Å; V202-L248 HydrophobicContact CB-CD1 4.44Å; V202-L248 HydrophobicContact CB-CG 4.29Å; V202-L248 HydrophobicContact CG1-CD1 4.49Å; V202-L248 HydrophobicContact CG1-CG 4.05Å; V202-L255 HydrophobicContact CB-CD1 4.33Å; V202-L255 HydrophobicContact CG1-CD1 4.15Å; V202-L255 HydrophobicContact CG2-CD1 4.01Å |
| 203 | A | 96.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M130 L163 F164 Q210 M212 | M130-A203 HydrophobicContact SD-CB 3.91Å; L163-A203 WeakPolarHBondContact O-CA 3.38Å; F164-A203 HydrophobicContact CB-CB 3.81Å; A203-Q210 PolarHBondContact N-O 3.35Å; A203-Q210 PolarHBondContact O-N 3.08Å; A203-M212 HydrophobicContact CB-CE 3.41Å; A203-M212 VanDerWaalsContact CB-CE 3.41Å |
| 204 | T | 96.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.5 | 177.2 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | Y161 L163 Q208 V243 A246 | Y161-T204 VanDerWaalsContact O-O 3.1Å; Y161-T204 PolarHBondContact O-OG1 2.89Å; L163-T204 PolarHBondContact N-OG1 3.06Å; L163-T204 PolarHBondContact O-N 2.72Å; L163-T204 PolarHBondContact O-OG1 3.37Å; L163-T204 VanDerWaalsContact O-OG1 3.11Å; T204-Q208 WeakPolarHBondContact CA-O 3.25Å; T204-V243 HydrophobicContact CG2-CB 4.41Å; T204-V243 HydrophobicContact CG2-CG1 3.66Å; T204-A246 HydrophobicContact CG2-CB 3.81Å |
| 205 | V | 94.2 | Very high | 88.4 | Confident | 18 Ų | 18 | 20.9 Ų | 20.9 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 93.8 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 108.8 | A128 L155 Q207 Q208 | A128-V205 HydrophobicContact CB-CG1 4.31Å; A128-V205 HydrophobicContact CB-CG2 4.04Å; L155-V205 HydrophobicContact CD1-CG1 3.87Å; V205-Q207 PolarHBondContact O-N 2.9Å; V205-Q208 PolarHBondContact N-O 2.87Å; V205-Q208 PolarHBondContact O-N 3.41Å; V205-Q208 VanDerWaalsContact O-N 3.07Å |
| 206 | G | 93.5 | Very high | 90.2 | Very high | 24 Ų | 24 | 24 Ų | 24 | 25% | 0.247 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -118.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C159 Q208 V243 | C159-G206 PolarHBondContact SG-N 3.45Å; G206-Q208 PolarHBondContact O-N 3.46Å; G206-V243 PolarHBondContact O-N 2.89Å |
| 207 | Q | 95.1 | Very high | 91.6 | Very high | 100 Ų | 100 | 22.1 Ų | 22.1 | 47% | 0.467 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 6.5 | 178.6 | -71.7 | 174.5 | -13.6 | 0 | 0 | 114.4 | V205 T238 E239 | V205-Q207 PolarHBondContact O-N 2.9Å; Q207-T238 HydrophobicContact CB-CG2 4.4Å; Q207-T238 CarbonylContact O-C 3.55Å; Q207-T238 WeakPolarHBondContact O-CA 3.25Å; Q207-E239 PolarHBondContact O-N 3.47Å |
| 208 | Q | 94.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 19.4 Ų | 19.4 | 29% | 0.29 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.1 | -172.5 | -65.3 | -177.3 | 5 | 0 | 0 | 113.9 | T204 V205 G206 Q210 V236 I237 T238 | T204-Q208 WeakPolarHBondContact CA-O 3.25Å; V205-Q208 PolarHBondContact N-O 2.87Å; V205-Q208 PolarHBondContact O-N 3.41Å; V205-Q208 VanDerWaalsContact O-N 3.07Å; G206-Q208 PolarHBondContact O-N 3.46Å; Q208-Q210 HydrophobicContact CB-CG 4.16Å; Q208-V236 HydrophobicContact CB-CG1 4.11Å; Q208-V236 HydrophobicContact CG-CG1 4.12Å; Q208-I237 WeakPolarHBondContact CA-O 3.17Å; Q208-T238 HydrophobicContact CG-CG2 4.14Å |
| 209 | A | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109 | V202 V236 I237 A246 L257 | V202-A209 HydrophobicContact CG2-CB 4.12Å; A209-V236 WeakPolarHBondContact O-CA 3.24Å; A209-I237 PolarHBondContact N-O 3.25Å; A209-I237 PolarHBondContact O-N 2.97Å; A209-A246 HydrophobicContact CB-CB 4.33Å; A209-L257 HydrophobicContact CB-CD2 4.26Å |
| 210 | Q | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 106.9 | -169.8 | -59.9 | 176.1 | 0.8 | 0 | 0 | 109.8 | V202 A203 Q208 M212 Y227 V236 | V202-Q210 WeakPolarHBondContact CA-O 3.19Å; A203-Q210 PolarHBondContact N-O 3.35Å; A203-Q210 PolarHBondContact O-N 3.08Å; Q208-Q210 HydrophobicContact CB-CG 4.16Å; Q210-M212 HydrophobicContact CB-CE 4.32Å; Q210-Y227 VanDerWaalsContact CD-OH 3.24Å; Q210-Y227 PolarHBondContact NE2-OH 3.17Å; Q210-Y227 VanDerWaalsContact OE1-CE2 3.3Å; Q210-Y227 VanDerWaalsContact OE1-CZ 3.27Å; Q210-Y227 PolarHBondContact OE1-OH 3.35Å; Q210-V236 HydrophobicContact CB-CG2 4.39Å; Q210-V236 HydrophobicContact CG-CG1 4.03Å; Q210-V236 HydrophobicContact CG-CG2 4.06Å |
| 211 | V | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.1 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | M200 I201 V202 A233 A234 C235 L255 F272 | M200-V211 HydrophobicContact CG-CG1 3.99Å; M200-V211 HydrophobicContact SD-CG1 3.92Å; I201-V211 CarbonylContact O-C 3.56Å; I201-V211 WeakPolarHBondContact O-CA 3.46Å; V202-V211 HydrophobicContact CB-CG2 4.34Å; V202-V211 HydrophobicContact CG2-CG2 4.2Å; V211-A233 CarbonylContact O-C 3.54Å; V211-A233 WeakPolarHBondContact O-CA 3.49Å; V211-A234 PolarHBondContact O-N 2.84Å; V211-C235 HydrophobicContact CB-CB 4.21Å; V211-C235 HydrophobicContact CG2-CB 4.43Å; V211-C235 PolarHBondContact N-O 3.15Å; V211-C235 PolarHBondContact O-N 2.92Å; V211-L255 HydrophobicContact CG2-CD2 3.86Å; V211-F272 HydrophobicContact CG1-CE1 4.23Å |
| 212 | M | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.8 | -173.7 | -65 | 176.5 | -83.2 | 0 | 0 | 110.5 | M130 M200 I201 A203 Q210 L214 I217 Y227 C232 A233 | M130-M212 HydrophobicContact CE-CE 3.81Å; M130-M212 HydrophobicContact CE-SD 3.96Å; M130-M212 HydrophobicContact SD-CE 3.97Å; M200-M212 WeakPolarHBondContact CA-O 3.48Å; I201-M212 HydrophobicContact CD1-CE 3.75Å; I201-M212 HydrophobicContact CG1-CB 3.99Å; I201-M212 HydrophobicContact CG1-CE 4.05Å; I201-M212 PolarHBondContact N-O 2.98Å; I201-M212 PolarHBondContact O-N 2.95Å; A203-M212 HydrophobicContact CB-CE 3.41Å; A203-M212 VanDerWaalsContact CB-CE 3.41Å; Q210-M212 HydrophobicContact CB-CE 4.32Å; M212-L214 HydrophobicContact CB-CD2 4.22Å; M212-I217 HydrophobicContact CB-CD1 4.21Å; M212-Y227 HydrophobicContact SD-CE2 4.38Å; M212-C232 WeakPolarHBondContact CG-O 3.25Å; M212-C232 HydrophobicContact SD-CB 4.48Å; M212-A233 HydrophobicContact CG-CB 4.47Å |
| 213 | I | 92.2 | Very high | 92.3 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 99.7 | 176.4 | -61.1 | 176.8 | 0 | 0 | 0 | 107.6 | N196 M200 S215 Q216 I217 A234 F272 | N196-I213 HydrophobicContact CB-CG2 3.85Å; M200-I213 HydrophobicContact CE-CD1 4.35Å; M200-I213 HydrophobicContact CE-CG1 4.3Å; M200-I213 HydrophobicContact CG-CG1 4.32Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 2.76Å; I213-Q216 HydrophobicContact CB-CB 4.29Å; I213-Q216 HydrophobicContact CG2-CB 3.94Å; I213-Q216 PolarHBondContact O-N 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.28Å; I213-I217 PolarHBondContact O-N 2.96Å; I213-A234 HydrophobicContact CD1-CB 4.45Å; I213-A234 HydrophobicContact CG1-CB 4.47Å; I213-F272 HydrophobicContact CD1-CE2 3.81Å; I213-F272 HydrophobicContact CD1-CZ 3.93Å |
| 214 | L | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -32.3 | -166.4 | -55.4 | -178.3 | 0 | 0 | 0 | 112.6 | F132 W148 L149 W166 S199 I201 M212 Q216 I217 V218 | F132-L214 HydrophobicContact CD1-CD1 3.56Å; F132-L214 HydrophobicContact CD2-CD1 4.06Å; F132-L214 HydrophobicContact CE1-CD1 3.45Å; F132-L214 VanDerWaalsContact CE1-CD1 3.45Å; F132-L214 HydrophobicContact CE2-CD1 3.95Å; F132-L214 HydrophobicContact CE2-CD2 4.13Å; F132-L214 HydrophobicContact CG-CD1 3.89Å; F132-L214 HydrophobicContact CZ-CD1 3.67Å; F132-L214 HydrophobicContact CZ-CD2 4.22Å; W148-L214 HydrophobicContact CH2-CB 3.63Å; W148-L214 HydrophobicContact CZ3-CB 3.69Å; W148-L214 HydrophobicContact CZ3-CD1 4.12Å; L149-L214 HydrophobicContact CD2-CB 4.09Å; L149-L214 HydrophobicContact CD2-CD2 3.85Å; L149-L214 HydrophobicContact CD2-CG 4.42Å; W166-L214 HydrophobicContact CH2-CD1 3.65Å; W166-L214 HydrophobicContact CZ3-CD1 3.73Å; S199-L214 WeakPolarHBondContact O-CB 3.4Å; S199-L214 VanDerWaalsContact O-CG 3.3Å; S199-L214 WeakPolarHBondContact O-CG 3.37Å; S199-L214 PolarHBondContact O-N 2.86Å; S199-L214 PolarHBondContact OG-N 3.41Å; I201-L214 HydrophobicContact CD1-CD1 4.26Å; I201-L214 HydrophobicContact CD1-CD2 3.98Å; I201-L214 HydrophobicContact CD1-CG 4.45Å; I201-L214 HydrophobicContact CG1-CD1 4.5Å; I201-L214 HydrophobicContact CG1-CD2 4.16Å; I201-L214 HydrophobicContact CG1-CG 4.38Å; I201-L214 HydrophobicContact CG2-CD1 4.13Å; M212-L214 HydrophobicContact CB-CD2 4.22Å; L214-Q216 VanDerWaalsContact C-N 3.3Å; L214-Q216 PolarHBondContact O-N 3.49Å; L214-I217 HydrophobicContact CD2-CD1 4.04Å; L214-I217 PolarHBondContact O-N 3.36Å; L214-V218 WeakPolarHBondContact O-CG2 3.17Å; L214-V218 PolarHBondContact O-N 2.9Å |
| 215 | S | 89.1 | Confident | 92 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 21% | 0.21 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 173.5 | 64 | 0 | 0 | 0 | 0 | 112.2 | N196 S199 I213 K219 | N196-S215 PolarHBondContact OD1-OG 3.39Å; S199-S215 WeakPolarHBondContact OG-CB 3.43Å; S199-S215 PolarHBondContact OG-N 3.23Å; S199-S215 PolarHBondContact OG-OG 3.14Å; S199-S215 VanDerWaalsContact OG-OG 3.09Å; I213-S215 VanDerWaalsContact C-N 3.35Å; I213-S215 PolarHBondContact O-N 2.76Å; S215-K219 VanDerWaalsContact O-CB 3.25Å; S215-K219 WeakPolarHBondContact O-CB 3.38Å; S215-K219 PolarHBondContact O-N 3.11Å |
| 216 | Q | 88.4 | Confident | 91.8 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.1 | -40.4 | -179 | -173.7 | 174.2 | -3.4 | 0 | 0 | 111.3 | I213 L214 V218 K219 E220 | I213-Q216 HydrophobicContact CB-CB 4.29Å; I213-Q216 HydrophobicContact CG2-CB 3.94Å; I213-Q216 PolarHBondContact O-N 3.32Å; L214-Q216 VanDerWaalsContact C-N 3.3Å; L214-Q216 PolarHBondContact O-N 3.49Å; Q216-V218 PolarHBondContact O-N 2.83Å; Q216-K219 PolarHBondContact O-N 3.27Å; Q216-E220 HydrophobicContact CG-CG 4.29Å; Q216-E220 VanDerWaalsContact CG-OE1 3.23Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.22Å; Q216-E220 PolarHBondContact NE2-OE1 2.69Å; Q216-E220 WeakPolarHBondContact O-CB 3.29Å; Q216-E220 WeakPolarHBondContact O-CG 3.38Å; Q216-E220 PolarHBondContact O-N 3.43Å |
| 217 | I | 91.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 174.4 | -61.3 | 171.7 | 0 | 0 | 0 | 110.4 | L149 M212 I213 L214 K219 E220 K221 V225 C232 | L149-I217 HydrophobicContact CD1-CG2 4.02Å; L149-I217 HydrophobicContact CD2-CB 4.32Å; L149-I217 HydrophobicContact CD2-CG2 4.12Å; M212-I217 HydrophobicContact CB-CD1 4.21Å; I213-I217 WeakPolarHBondContact O-CG1 3.28Å; I213-I217 PolarHBondContact O-N 2.96Å; L214-I217 HydrophobicContact CD2-CD1 4.04Å; L214-I217 PolarHBondContact O-N 3.36Å; I217-K219 PolarHBondContact O-N 2.91Å; I217-E220 PolarHBondContact O-N 2.67Å; I217-K221 HydrophobicContact CG2-CB 4.49Å; I217-K221 HydrophobicContact CG2-CG 4.4Å; I217-K221 WeakPolarHBondContact O-CA 3.43Å; I217-K221 VanDerWaalsContact O-CB 3.3Å; I217-K221 WeakPolarHBondContact O-CB 3.47Å; I217-K221 PolarHBondContact O-N 2.83Å; I217-V225 HydrophobicContact CG2-CG2 3.93Å; I217-C232 HydrophobicContact CD1-CB 4.15Å; I217-C232 WeakPolarHBondContact CD1-O 3.4Å |
| 218 | V | 90.9 | Very high | 91.4 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | W148 L149 L214 Q216 E220 G222 | W148-V218 HydrophobicContact CD2-CG2 4.37Å; W148-V218 HydrophobicContact CZ2-CG2 4.06Å; L149-V218 HydrophobicContact CB-CG2 3.76Å; L149-V218 HydrophobicContact CD1-CG2 4.02Å; L149-V218 HydrophobicContact CD2-CG2 4.1Å; L149-V218 HydrophobicContact CG-CG2 4.16Å; L214-V218 WeakPolarHBondContact O-CG2 3.17Å; L214-V218 PolarHBondContact O-N 2.9Å; Q216-V218 PolarHBondContact O-N 2.83Å; V218-E220 PolarHBondContact O-N 3.42Å; V218-G222 VanDerWaalsContact O-CA 3.29Å; V218-G222 WeakPolarHBondContact O-CA 3.09Å; V218-G222 PolarHBondContact O-N 2.94Å |
| 219 | K | 88 | Confident | 90.8 | Very high | 154 Ų | 154 | 46.5 Ų | 46.5 | 67% | 0.67 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.4 | -33.3 | -178.8 | -170.6 | 173.3 | -176 | 178 | 0 | 113.6 | N192 S215 Q216 I217 | N192-K219 PolarHBondContact OD1-NZ 2.98Å; S215-K219 VanDerWaalsContact O-CB 3.25Å; S215-K219 WeakPolarHBondContact O-CB 3.38Å; S215-K219 PolarHBondContact O-N 3.11Å; Q216-K219 PolarHBondContact O-N 3.27Å; I217-K219 PolarHBondContact O-N 2.91Å |
| 220 | E | 88.3 | Confident | 90.1 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -97.3 | -30.9 | -178.1 | -68.8 | -175 | -156.2 | 0 | 0 | 114.7 | Q216 I217 V218 | Q216-E220 HydrophobicContact CG-CG 4.29Å; Q216-E220 VanDerWaalsContact CG-OE1 3.23Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.22Å; Q216-E220 PolarHBondContact NE2-OE1 2.69Å; Q216-E220 WeakPolarHBondContact O-CB 3.29Å; Q216-E220 WeakPolarHBondContact O-CG 3.38Å; Q216-E220 PolarHBondContact O-N 3.43Å; I217-E220 PolarHBondContact O-N 2.67Å; V218-E220 PolarHBondContact O-N 3.42Å |
| 221 | K | 87.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 62.6 Ų | 62.6 | 36% | 0.361 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -123.2 | -11.9 | -168 | -41.1 | -57.5 | -178.2 | -137.7 | 0 | 113.6 | I217 V225 | I217-K221 HydrophobicContact CG2-CB 4.49Å; I217-K221 HydrophobicContact CG2-CG 4.4Å; I217-K221 WeakPolarHBondContact O-CA 3.43Å; I217-K221 VanDerWaalsContact O-CB 3.3Å; I217-K221 WeakPolarHBondContact O-CB 3.47Å; I217-K221 PolarHBondContact O-N 2.83Å; K221-V225 HydrophobicContact CB-CG1 4.17Å; K221-V225 HydrophobicContact CB-CG2 3.69Å |
| 222 | G | 89 | Confident | 88.8 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | trans | 83.8 | -176.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V218 V224 V225 | V218-G222 VanDerWaalsContact O-CA 3.29Å; V218-G222 WeakPolarHBondContact O-CA 3.09Å; V218-G222 PolarHBondContact O-N 2.94Å; G222-V224 PolarHBondContact O-N 3.28Å; G222-V225 WeakPolarHBondContact O-CG2 3.25Å | ||
| 223 | S | 90 | Very high | 88.3 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -80.6 | -4.3 | -171 | -64.9 | 0 | 0 | 0 | 0 | 116.2 | W148 L149 T150 | W148-S223 WeakPolarHBondContact O-CB 3.41Å; W148-S223 PolarHBondContact O-OG 2.8Å; L149-S223 CarbonylContact C-O 3.57Å; L149-S223 WeakPolarHBondContact CA-O 3.21Å; T150-S223 PolarHBondContact N-O 3.44Å |
| 224 | V | 93.1 | Very high | 88 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 115.8 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | T150 G222 | T150-V224 WeakPolarHBondContact O-CA 3.48Å; G222-V224 PolarHBondContact O-N 3.28Å |
| 225 | V | 93.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 130 | -169.3 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | L149 T150 V151 N152 I217 K221 G222 | L149-V225 HydrophobicContact CD1-CG2 3.99Å; T150-V225 PolarHBondContact O-N 2.97Å; V151-V225 CarbonylContact C-O 3.55Å; V151-V225 WeakPolarHBondContact CA-O 3.29Å; N152-V225 PolarHBondContact N-O 2.88Å; I217-V225 HydrophobicContact CG2-CG2 3.93Å; K221-V225 HydrophobicContact CB-CG1 4.17Å; K221-V225 HydrophobicContact CB-CG2 3.69Å; G222-V225 WeakPolarHBondContact O-CG2 3.25Å |
| 226 | A | 91.3 | Very high | 88.1 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | S228 | A226-S228 PolarHBondContact O-N 2.89Å |
| 227 | Y | 91.3 | Very high | 88.4 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | trans | -59.5 | 131.7 | -176.6 | 179.3 | -90.3 | 0 | 0 | 0 | 112.3 | V151 N152 R153 Q210 M212 C232 | V151-Y227 HydrophobicContact CG1-CD2 4.07Å; N152-Y227 WeakPolarHBondContact O-CB 3.36Å; N152-Y227 PolarHBondContact O-N 2.91Å; R153-Y227 VanDerWaalsContact NH1-CD1 3.3Å; R153-Y227 VanDerWaalsContact NH1-CD2 3.33Å; R153-Y227 VanDerWaalsContact NH1-CG 3.26Å; Q210-Y227 VanDerWaalsContact CD-OH 3.24Å; Q210-Y227 PolarHBondContact NE2-OH 3.17Å; Q210-Y227 VanDerWaalsContact OE1-CE2 3.3Å; Q210-Y227 VanDerWaalsContact OE1-CZ 3.27Å; Q210-Y227 PolarHBondContact OE1-OH 3.35Å; M212-Y227 HydrophobicContact SD-CE2 4.38Å; Y227-C232 HydrophobicContact CD2-CB 3.81Å; Y227-C232 HydrophobicContact CE2-CB 3.85Å | ||
| 228 | S | 87.5 | Confident | 88.6 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | trans | -148.9 | 145.1 | 161.6 | 41.9 | 0 | 0 | 0 | 0 | 109.2 | A226 E230 R231 C232 | A226-S228 PolarHBondContact O-N 2.89Å; S228-E230 VanDerWaalsContact C-N 3.27Å; S228-E230 PolarHBondContact O-N 2.88Å; S228-R231 PolarHBondContact O-N 3.18Å; S228-R231 WeakPolarHBondContact OG-CB 3.39Å; S228-R231 VanDerWaalsContact OG-CD 3.29Å; S228-R231 WeakPolarHBondContact OG-CD 3.48Å; S228-R231 VanDerWaalsContact OG-CG 3.27Å; S228-R231 WeakPolarHBondContact OG-CG 3.29Å; S228-C232 PolarHBondContact O-N 3.4Å | ||
| 229 | K | 83.1 | Confident | 88.7 | Confident | 112 Ų | 112 | 64.1 Ų | 64.1 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -52.1 | -47.1 | -175.5 | 175.7 | 165.9 | 176 | 168.6 | 0 | 111.6 | R231 A233 V236 | K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 2.9Å; K229-A233 PolarHBondContact O-N 3.44Å; K229-V236 HydrophobicContact CD-CB 4.21Å; K229-V236 HydrophobicContact CD-CG2 3.99Å; K229-V236 HydrophobicContact CG-CG2 3.88Å |
| 230 | E | 80.1 | Confident | 89 | Confident | 183 Ų | 183 | 65.6 Ų | 65.6 | 86% | 0.855 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.7 | -21 | -179.1 | -65 | 140.5 | -141.9 | 0 | 0 | 115.3 | S228 | S228-E230 VanDerWaalsContact C-N 3.27Å; S228-E230 PolarHBondContact O-N 2.88Å |
| 231 | R | 79.6 | Confident | 89.3 | Confident | 157 Ų | 157 | 61.6 Ų | 61.6 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -107.8 | -22.4 | -173.8 | -59.6 | -174.3 | -172.3 | 179.2 | 1.3 | 114.2 | S228 K229 | S228-R231 PolarHBondContact O-N 3.18Å; S228-R231 WeakPolarHBondContact OG-CB 3.39Å; S228-R231 VanDerWaalsContact OG-CD 3.29Å; S228-R231 WeakPolarHBondContact OG-CD 3.48Å; S228-R231 VanDerWaalsContact OG-CG 3.27Å; S228-R231 WeakPolarHBondContact OG-CG 3.29Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-R231 PolarHBondContact O-N 2.9Å |
| 232 | C | 83.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -118 | -38.7 | -172.6 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | M212 I217 Y227 S228 | M212-C232 WeakPolarHBondContact CG-O 3.25Å; M212-C232 HydrophobicContact SD-CB 4.48Å; I217-C232 HydrophobicContact CD1-CB 4.15Å; I217-C232 WeakPolarHBondContact CD1-O 3.4Å; Y227-C232 HydrophobicContact CD2-CB 3.81Å; Y227-C232 HydrophobicContact CE2-CB 3.85Å; S228-C232 PolarHBondContact O-N 3.4Å |
| 233 | A | 84.5 | Confident | 90.1 | Very high | 21 Ų | 21 | 58 Ų | 58 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | trans | -94.6 | 125.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V211 M212 K229 V236 | V211-A233 CarbonylContact O-C 3.54Å; V211-A233 WeakPolarHBondContact O-CA 3.49Å; M212-A233 HydrophobicContact CG-CB 4.47Å; K229-A233 PolarHBondContact O-N 3.44Å; A233-V236 HydrophobicContact CB-CG2 3.38Å | ||
| 234 | A | 86.6 | Confident | 90.4 | Very high | 37 Ų | 37 | 55.2 Ų | 55.2 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -69.9 | -40.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V211 I213 F272 | V211-A234 PolarHBondContact O-N 2.84Å; I213-A234 HydrophobicContact CD1-CB 4.45Å; I213-A234 HydrophobicContact CG1-CB 4.47Å; A234-F272 HydrophobicContact CB-CB 4.22Å; A234-F272 HydrophobicContact CB-CD1 4.04Å; A234-F272 HydrophobicContact CB-CD2 4.15Å; A234-F272 HydrophobicContact CB-CG 3.86Å; A234-F272 WeakPolarHBondContact O-CB 3.36Å |
| 235 | C | 90.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147 | 172.5 | 171 | 0 | 0 | 0 | 0 | 110.4 | V211 F272 V275 | V211-C235 HydrophobicContact CB-CB 4.21Å; V211-C235 HydrophobicContact CG2-CB 4.43Å; V211-C235 PolarHBondContact N-O 3.15Å; V211-C235 PolarHBondContact O-N 2.92Å; C235-F272 HydrophobicContact CB-CB 4.29Å; C235-F272 HydrophobicContact CB-CD1 4.44Å; C235-V275 HydrophobicContact CB-CG2 4.43Å |
| 236 | V | 93.5 | Very high | 90.7 | Very high | 22 Ų | 22 | 52 Ų | 52 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 117.6 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | Q208 A209 Q210 K229 A233 | Q208-V236 HydrophobicContact CB-CG1 4.11Å; Q208-V236 HydrophobicContact CG-CG1 4.12Å; A209-V236 WeakPolarHBondContact O-CA 3.24Å; Q210-V236 HydrophobicContact CB-CG2 4.39Å; Q210-V236 HydrophobicContact CG-CG1 4.03Å; Q210-V236 HydrophobicContact CG-CG2 4.06Å; K229-V236 HydrophobicContact CD-CB 4.21Å; K229-V236 HydrophobicContact CD-CG2 3.99Å; K229-V236 HydrophobicContact CG-CG2 3.88Å; A233-V236 HydrophobicContact CB-CG2 3.38Å |
| 237 | I | 94.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 135.2 | 168.7 | -53.9 | -177.7 | 0 | 0 | 0 | 107.6 | Q208 A209 L255 L257 Y267 V275 | Q208-I237 WeakPolarHBondContact CA-O 3.17Å; A209-I237 PolarHBondContact N-O 3.25Å; A209-I237 PolarHBondContact O-N 2.97Å; I237-L255 HydrophobicContact CD1-CD2 3.66Å; I237-L257 HydrophobicContact CB-CD2 4.45Å; I237-L257 HydrophobicContact CD1-CD2 4.46Å; I237-L257 HydrophobicContact CG2-CD2 3.98Å; I237-Y267 HydrophobicContact CD1-CD1 3.82Å; I237-Y267 HydrophobicContact CD1-CD2 3.63Å; I237-Y267 HydrophobicContact CD1-CE1 4.05Å; I237-Y267 HydrophobicContact CD1-CE2 3.87Å; I237-Y267 HydrophobicContact CD1-CG 3.59Å; I237-Y267 HydrophobicContact CG2-CE1 4.26Å; I237-Y267 HydrophobicContact CG2-CE2 4.04Å; I237-V275 HydrophobicContact CD1-CG1 3.98Å; I237-V275 HydrophobicContact CG1-CG1 4.46Å |
| 238 | T | 94.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.4 | 175 | -51.2 | 0 | 0 | 0 | 0 | 109.3 | Q207 Q208 | Q207-T238 HydrophobicContact CB-CG2 4.4Å; Q207-T238 CarbonylContact O-C 3.55Å; Q207-T238 WeakPolarHBondContact O-CA 3.25Å; Q208-T238 HydrophobicContact CG-CG2 4.14Å |
| 239 | E | 94.8 | Very high | 91 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | trans | -111.2 | 161.6 | -178.1 | -72.2 | -60.7 | 145 | 0 | 0 | 112.1 | Q207 S241 V243 L257 T259 K265 Y267 | Q207-E239 PolarHBondContact O-N 3.47Å; E239-S241 VanDerWaalsContact C-N 3.26Å; E239-S241 WeakPolarHBondContact CB-O 3.07Å; E239-S241 PolarHBondContact O-N 3.49Å; E239-V243 HydrophobicContact CB-CG2 4.01Å; E239-V243 HydrophobicContact CG-CG2 3.93Å; E239-L257 HydrophobicContact CG-CD1 3.86Å; E239-L257 HydrophobicContact CG-CD2 4.18Å; E239-T259 HydrophobicContact CB-CG2 4.27Å; E239-T259 HydrophobicContact CG-CG2 4.29Å; E239-K265 VanDerWaalsContact OE1-CD 3.3Å; E239-K265 WeakPolarHBondContact OE1-CD 3.33Å; E239-K265 WeakPolarHBondContact OE1-CE 3.3Å; E239-K265 IonicContact OE1-NZ 2.72Å; E239-K265 PolarHBondContact OE1-NZ 3.41Å; E239-K265 WeakPolarHBondContact OE2-CE 3.14Å; E239-K265 IonicContact OE2-NZ 2.97Å; E239-K265 PolarHBondContact OE2-NZ 3.12Å; E239-Y267 PolarHBondContact OE1-OH 2.92Å | ||
| 240 | E | 93.3 | Very high | 90.9 | Very high | 185 Ų | 185 | 40.4 Ų | 40.4 | 86% | 0.864 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -74.1 | -20.9 | 177.3 | -65.4 | 173.8 | -170.8 | 0 | 0 | 112.4 | ||
| 241 | S | 94.8 | Very high | 91 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -123.8 | 163.1 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 110 | E239 V243 A261 | E239-S241 VanDerWaalsContact C-N 3.26Å; E239-S241 WeakPolarHBondContact CB-O 3.07Å; E239-S241 PolarHBondContact O-N 3.49Å; S241-V243 PolarHBondContact O-N 3.3Å; S241-A261 WeakPolarHBondContact OG-CB 3.18Å; S241-A261 PolarHBondContact OG-N 3.42Å; S241-A261 VanDerWaalsContact OG-N 3.08Å |
| 242 | V | 95.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 22% | 0.218 | 15% | 0.152 | C | C | . | . | trans | -60.4 | 131.2 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 109.2 | Y161 T259 E260 | Y161-V242 HydrophobicContact CD2-CG1 3.71Å; Y161-V242 HydrophobicContact CE2-CG1 4.2Å; V242-T259 WeakPolarHBondContact O-CA 3.45Å; V242-T259 WeakPolarHBondContact O-CB 3.32Å; V242-E260 HydrophobicContact CB-CG 4.07Å; V242-E260 WeakPolarHBondContact CB-OE2 3.4Å; V242-E260 HydrophobicContact CG1-CG 4.46Å; V242-E260 PolarHBondContact O-N 2.87Å | ||
| 243 | V | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118.6 | 174.9 | -178 | 0 | 0 | 0 | 0 | 107.9 | T204 G206 E239 S241 A246 L257 S258 | T204-V243 HydrophobicContact CG2-CB 4.41Å; T204-V243 HydrophobicContact CG2-CG1 3.66Å; G206-V243 PolarHBondContact O-N 2.89Å; E239-V243 HydrophobicContact CB-CG2 4.01Å; E239-V243 HydrophobicContact CG-CG2 3.93Å; S241-V243 PolarHBondContact O-N 3.3Å; V243-A246 HydrophobicContact CG1-CB 4.41Å; V243-L257 HydrophobicContact CG1-CB 4.34Å; V243-S258 CarbonylContact C-O 3.58Å; V243-S258 WeakPolarHBondContact CA-O 3.46Å; V243-S258 WeakPolarHBondContact CG1-O 3.39Å |
| 244 | T | 95.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -39.8 | -176.1 | 48.8 | 0 | 0 | 0 | 0 | 112 | Y161 S258 T259 E260 V289 | Y161-T244 HydrophobicContact CD1-CG2 4.36Å; Y161-T244 VanDerWaalsContact CD1-O 3.31Å; Y161-T244 WeakPolarHBondContact CD1-O 3.26Å; Y161-T244 HydrophobicContact CD2-CG2 4.32Å; Y161-T244 HydrophobicContact CE1-CG2 3.99Å; Y161-T244 HydrophobicContact CE2-CG2 3.96Å; T244-S258 PolarHBondContact N-O 3.06Å; T244-S258 VanDerWaalsContact OG1-C 3.22Å; T244-S258 WeakPolarHBondContact OG1-CB 3.33Å; T244-S258 PolarHBondContact OG1-O 2.85Å; T244-S258 PolarHBondContact OG1-OG 3.44Å; T244-T259 PolarHBondContact OG1-N 2.55Å; T244-E260 HydrophobicContact CG2-CB 4.38Å; T244-E260 HydrophobicContact CG2-CG 3.56Å; T244-V289 VanDerWaalsContact CB-O 3.32Å; T244-V289 WeakPolarHBondContact CB-O 3.46Å; T244-V289 WeakPolarHBondContact CG2-O 3.3Å; T244-V289 PolarHBondContact OG1-O 3.12Å |
| 245 | Y | 96.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 26.2 Ų | 26.2 | 17% | 0.169 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 152.3 | 177.5 | -162.5 | -96.8 | 0 | 0 | 0 | 110.3 | L163 C247 L257 S258 T291 I292 V293 | L163-Y245 HydrophobicContact CD1-CD2 3.78Å; L163-Y245 HydrophobicContact CD1-CE2 4.31Å; Y245-C247 HydrophobicContact CE1-CB 3.96Å; Y245-L257 WeakPolarHBondContact O-CA 3.49Å; Y245-S258 WeakPolarHBondContact CB-OG 3.42Å; Y245-S258 PolarHBondContact N-OG 3.42Å; Y245-S258 PolarHBondContact O-N 2.91Å; Y245-S258 PolarHBondContact O-OG 2.91Å; Y245-T291 HydrophobicContact CD1-CG2 3.96Å; Y245-T291 HydrophobicContact CE1-CG2 4.12Å; Y245-T291 HydrophobicContact CG-CG2 4.17Å; Y245-I292 WeakPolarHBondContact CD1-O 3.33Å; Y245-I292 WeakPolarHBondContact CE1-O 3.35Å; Y245-V293 HydrophobicContact CE1-CG2 3.79Å |
| 246 | A | 96.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 140.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S165 V202 T204 A209 V243 L255 S256 L257 | S165-A246 WeakPolarHBondContact CB-O 3.44Å; V202-A246 HydrophobicContact CG1-CB 4.29Å; V202-A246 WeakPolarHBondContact CG1-O 3.29Å; V202-A246 HydrophobicContact CG2-CB 4.12Å; T204-A246 HydrophobicContact CG2-CB 3.81Å; A209-A246 HydrophobicContact CB-CB 4.33Å; V243-A246 HydrophobicContact CG1-CB 4.41Å; A246-L255 HydrophobicContact CB-CD1 4.27Å; A246-S256 VanDerWaalsContact CA-O 3.23Å; A246-S256 WeakPolarHBondContact CA-O 3.2Å; A246-L257 HydrophobicContact CB-CB 4.03Å |
| 247 | C | 94.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.6 Ų | 24.6 | 5% | 0.047 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 151 | 174.8 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | Y245 L255 S256 | Y245-C247 HydrophobicContact CE1-CB 3.96Å; C247-L255 WeakPolarHBondContact O-CD1 3.4Å; C247-S256 PolarHBondContact N-O 3.3Å; C247-S256 VanDerWaalsContact N-O 3.08Å; C247-S256 PolarHBondContact O-N 3.4Å; C247-S256 PolarHBondContact SG-OG 3.37Å |
| 248 | L | 92.4 | Very high | 92.6 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 150.5 | 174.1 | -65.3 | 166.2 | 0 | 0 | 0 | 110.2 | C167 M200 V202 A254 L255 L269 | C167-L248 HydrophobicContact CB-CB 4.42Å; C167-L248 HydrophobicContact CB-CD1 3.89Å; M200-L248 HydrophobicContact CG-CD1 3.88Å; M200-L248 HydrophobicContact SD-CD1 3.77Å; V202-L248 HydrophobicContact CB-CD1 4.44Å; V202-L248 HydrophobicContact CB-CG 4.29Å; V202-L248 HydrophobicContact CG1-CD1 4.49Å; V202-L248 HydrophobicContact CG1-CG 4.05Å; L248-A254 CarbonylContact C-O 3.56Å; L248-A254 WeakPolarHBondContact CA-O 3.49Å; L248-L255 HydrophobicContact CD2-CB 4.12Å; L248-L255 HydrophobicContact CD2-CD1 4.14Å; L248-L269 HydrophobicContact CD2-CD1 3.71Å |
| 249 | S | 89 | Confident | 92.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -70.4 | 160 | 168.4 | 57 | 0 | 0 | 0 | 0 | 111.6 | D251 G252 T253 A254 | S249-D251 VanDerWaalsContact CB-OD1 3.27Å; S249-D251 WeakPolarHBondContact CB-OD1 3.44Å; S249-D251 PolarHBondContact O-N 3.05Å; S249-D251 PolarHBondContact OG-OD1 2.98Å; S249-G252 PolarHBondContact O-N 3.48Å; S249-T253 PolarHBondContact OG-N 3.01Å; S249-A254 PolarHBondContact N-O 3.36Å; S249-A254 PolarHBondContact OG-N 2.97Å; S249-A254 PolarHBondContact OG-O 3.05Å | ||
| 250 | P | 83 | Confident | 92.7 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.7 | -178.5 | -25.2 | 34.8 | 0 | 0 | 0 | 115.5 | P168 Y169 A170 D296 L298 F311 | P168-P250 HydrophobicContact CB-CB 4.07Å; P168-P250 HydrophobicContact CB-CG 4.36Å; P168-P250 HydrophobicContact CG-CB 4.44Å; P168-P250 HydrophobicContact CG-CG 4.33Å; Y169-P250 CarbonylContact C-O 3.49Å; Y169-P250 WeakPolarHBondContact CA-O 3.29Å; Y169-P250 PolarHBondContact N-O 3.4Å; Y169-P250 VanDerWaalsContact N-O 3.15Å; A170-P250 HydrophobicContact CB-CB 3.87Å; A170-P250 PolarHBondContact N-O 3.11Å; P250-D296 WeakPolarHBondContact CD-OD2 3.32Å; P250-D296 HydrophobicContact CG-CB 3.66Å; P250-D296 WeakPolarHBondContact CG-OD2 3.17Å; P250-L298 HydrophobicContact CB-CD2 4.16Å; P250-L298 HydrophobicContact CG-CD2 3.67Å; P250-F311 HydrophobicContact CB-CD1 3.7Å; P250-F311 HydrophobicContact CB-CE1 3.82Å; P250-F311 HydrophobicContact CB-CG 4.2Å; P250-F311 HydrophobicContact CB-CZ 4.42Å; P250-F311 HydrophobicContact CG-CD1 3.75Å; P250-F311 HydrophobicContact CG-CE1 4.25Å; P250-F311 HydrophobicContact CG-CG 4.34Å |
| 251 | D | 80.8 | Confident | 92.8 | Very high | 46 Ų | 46 | 17.1 Ų | 17.1 | 25% | 0.246 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.3 | 173.6 | 61.8 | -10 | 0 | 0 | 0 | 113.4 | S249 T253 F311 | S249-D251 VanDerWaalsContact CB-OD1 3.27Å; S249-D251 WeakPolarHBondContact CB-OD1 3.44Å; S249-D251 PolarHBondContact O-N 3.05Å; S249-D251 PolarHBondContact OG-OD1 2.98Å; D251-T253 VanDerWaalsContact C-N 3.25Å; D251-T253 HydrophobicContact CB-CG2 4.16Å; D251-T253 PolarHBondContact O-N 3.14Å; D251-T253 PolarHBondContact OD1-N 3.4Å; D251-T253 VanDerWaalsContact OD1-N 3.12Å; D251-T253 PolarHBondContact OD1-OG1 3.27Å; D251-T253 VanDerWaalsContact OD1-OG1 3.1Å; D251-T253 WeakPolarHBondContact OD2-CB 3.47Å; D251-T253 WeakPolarHBondContact OD2-CG2 3.14Å; D251-T253 PolarHBondContact OD2-OG1 3.06Å; D251-F311 HydrophobicContact CB-CD2 3.74Å; D251-F311 HydrophobicContact CB-CE2 4.13Å |
| 252 | G | 85.2 | Confident | 92.8 | Very high | 5 Ų | 5 | 16 Ų | 16 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 72.9 | 7.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115 | S249 | S249-G252 PolarHBondContact O-N 3.48Š|
| 253 | T | 86.4 | Confident | 92.8 | Very high | 54 Ų | 54 | 15.2 Ų | 15.2 | 33% | 0.331 | 9% | 0.087 | S | C | . | . | S | Bend | trans | -85.1 | -17.7 | -176.3 | 70 | 0 | 0 | 0 | 0 | 113.8 | S249 D251 I268 L269 W312 | S249-T253 PolarHBondContact OG-N 3.01Å; D251-T253 VanDerWaalsContact C-N 3.25Å; D251-T253 HydrophobicContact CB-CG2 4.16Å; D251-T253 PolarHBondContact O-N 3.14Å; D251-T253 PolarHBondContact OD1-N 3.4Å; D251-T253 VanDerWaalsContact OD1-N 3.12Å; D251-T253 PolarHBondContact OD1-OG1 3.27Å; D251-T253 VanDerWaalsContact OD1-OG1 3.1Å; D251-T253 WeakPolarHBondContact OD2-CB 3.47Å; D251-T253 WeakPolarHBondContact OD2-CG2 3.14Å; D251-T253 PolarHBondContact OD2-OG1 3.06Å; T253-I268 CarbonylContact O-C 3.55Å; T253-I268 WeakPolarHBondContact O-CA 3.48Å; T253-L269 PolarHBondContact O-N 3.05Å; T253-W312 PolarHBondContact OG1-NE1 2.9Å |
| 254 | A | 90.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L248 S249 Y267 F294 W312 | L248-A254 CarbonylContact C-O 3.56Å; L248-A254 WeakPolarHBondContact CA-O 3.49Å; S249-A254 PolarHBondContact N-O 3.36Å; S249-A254 PolarHBondContact OG-N 2.97Å; S249-A254 PolarHBondContact OG-O 3.05Å; A254-Y267 CarbonylContact C-O 3.59Å; A254-Y267 WeakPolarHBondContact CA-O 3.16Å; A254-F294 HydrophobicContact CB-CZ 4.27Å; A254-W312 HydrophobicContact CB-CD2 4.32Å; A254-W312 HydrophobicContact CB-CG 4.19Å |
| 255 | L | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 119.4 | 176.2 | 170.1 | 56.1 | 0 | 0 | 0 | 108.7 | V202 V211 I237 A246 C247 L248 Y267 L269 | V202-L255 HydrophobicContact CB-CD1 4.33Å; V202-L255 HydrophobicContact CG1-CD1 4.15Å; V202-L255 HydrophobicContact CG2-CD1 4.01Å; V211-L255 HydrophobicContact CG2-CD2 3.86Å; I237-L255 HydrophobicContact CD1-CD2 3.66Å; A246-L255 HydrophobicContact CB-CD1 4.27Å; C247-L255 WeakPolarHBondContact O-CD1 3.4Å; L248-L255 HydrophobicContact CD2-CB 4.12Å; L248-L255 HydrophobicContact CD2-CD1 4.14Å; L255-Y267 PolarHBondContact N-O 3.21Å; L255-Y267 PolarHBondContact O-N 2.93Å; L255-L269 HydrophobicContact CB-CD1 4.14Å; L255-L269 HydrophobicContact CB-CD2 4.48Å; L255-L269 HydrophobicContact CB-CG 4.35Å |
| 256 | S | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 143.8 | 169.7 | 72.3 | 0 | 0 | 0 | 0 | 110.4 | A246 C247 | A246-S256 VanDerWaalsContact CA-O 3.23Å; A246-S256 WeakPolarHBondContact CA-O 3.2Å; C247-S256 PolarHBondContact N-O 3.3Å; C247-S256 VanDerWaalsContact N-O 3.08Å; C247-S256 PolarHBondContact O-N 3.4Å; C247-S256 PolarHBondContact SG-OG 3.37Å |
| 257 | L | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.2 | 172.2 | 66.2 | 77.1 | 0 | 0 | 0 | 112.1 | A209 I237 E239 V243 Y245 A246 T259 V264 K265 Y267 | A209-L257 HydrophobicContact CB-CD2 4.26Å; I237-L257 HydrophobicContact CB-CD2 4.45Å; I237-L257 HydrophobicContact CD1-CD2 4.46Å; I237-L257 HydrophobicContact CG2-CD2 3.98Å; E239-L257 HydrophobicContact CG-CD1 3.86Å; E239-L257 HydrophobicContact CG-CD2 4.18Å; V243-L257 HydrophobicContact CG1-CB 4.34Å; Y245-L257 WeakPolarHBondContact O-CA 3.49Å; A246-L257 HydrophobicContact CB-CB 4.03Å; L257-T259 HydrophobicContact CD1-CG2 4.36Å; L257-V264 WeakPolarHBondContact O-CA 3.49Å; L257-V264 WeakPolarHBondContact O-CG1 3.43Å; L257-K265 HydrophobicContact CD1-CB 3.96Å; L257-K265 HydrophobicContact CD1-CD 4.49Å; L257-K265 HydrophobicContact CD1-CG 4.24Å; L257-K265 HydrophobicContact CG-CB 4.25Å; L257-K265 PolarHBondContact N-O 2.79Å; L257-K265 PolarHBondContact O-N 3.5Å; L257-Y267 HydrophobicContact CD2-CD2 4.22Å; L257-Y267 HydrophobicContact CD2-CE2 3.69Å; L257-Y267 HydrophobicContact CG-CD2 4.5Å; L257-Y267 HydrophobicContact CG-CE2 4.07Å |
| 258 | S | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.8 | 177.5 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | V243 T244 Y245 V289 | V243-S258 CarbonylContact C-O 3.58Å; V243-S258 WeakPolarHBondContact CA-O 3.46Å; V243-S258 WeakPolarHBondContact CG1-O 3.39Å; T244-S258 PolarHBondContact N-O 3.06Å; T244-S258 VanDerWaalsContact OG1-C 3.22Å; T244-S258 WeakPolarHBondContact OG1-CB 3.33Å; T244-S258 PolarHBondContact OG1-O 2.85Å; T244-S258 PolarHBondContact OG1-OG 3.44Å; Y245-S258 WeakPolarHBondContact CB-OG 3.42Å; Y245-S258 PolarHBondContact N-OG 3.42Å; Y245-S258 PolarHBondContact O-N 2.91Å; Y245-S258 PolarHBondContact O-OG 2.91Å; S258-V289 VanDerWaalsContact CB-CG1 3.44Å |
| 259 | T | 96.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.2 | -174.8 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | E239 V242 T244 L257 A261 G262 L263 V289 | E239-T259 HydrophobicContact CB-CG2 4.27Å; E239-T259 HydrophobicContact CG-CG2 4.29Å; V242-T259 WeakPolarHBondContact O-CA 3.45Å; V242-T259 WeakPolarHBondContact O-CB 3.32Å; T244-T259 PolarHBondContact OG1-N 2.55Å; L257-T259 HydrophobicContact CD1-CG2 4.36Å; T259-A261 PolarHBondContact O-N 3.07Å; T259-G262 PolarHBondContact O-N 3.01Å; T259-L263 PolarHBondContact N-O 2.62Å; T259-L263 VanDerWaalsContact N-O 3.12Å; T259-L263 WeakPolarHBondContact OG1-CB 3.48Å; T259-L263 PolarHBondContact OG1-N 3.38Å; T259-L263 PolarHBondContact OG1-O 3Å; T259-V289 PolarHBondContact O-N 2.82Å |
| 260 | E | 94.7 | Very high | 91.6 | Very high | 84 Ų | 84 | 24.4 Ų | 24.4 | 39% | 0.393 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -29.1 | 174.7 | -69.6 | -170.5 | 132.3 | 0 | 0 | 112.8 | Y161 V242 T244 G262 P288 | Y161-E260 HydrophobicContact CE2-CG 4.04Å; Y161-E260 WeakPolarHBondContact CE2-OE1 3.3Å; V242-E260 HydrophobicContact CB-CG 4.07Å; V242-E260 WeakPolarHBondContact CB-OE2 3.4Å; V242-E260 HydrophobicContact CG1-CG 4.46Å; V242-E260 PolarHBondContact O-N 2.87Å; T244-E260 HydrophobicContact CG2-CB 4.38Å; T244-E260 HydrophobicContact CG2-CG 3.56Å; E260-G262 PolarHBondContact O-N 3.41Å; E260-G262 VanDerWaalsContact O-N 3.12Å; E260-P288 VanDerWaalsContact O-CA 3.31Å; E260-P288 WeakPolarHBondContact O-CA 3.48Å; E260-P288 WeakPolarHBondContact O-CB 3.34Å; E260-P288 WeakPolarHBondContact O-CG 3.28Å |
| 261 | A | 95.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 27 Ų | 27 | 38% | 0.38 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 3.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S241 T259 L263 Y282 | S241-A261 WeakPolarHBondContact OG-CB 3.18Å; S241-A261 PolarHBondContact OG-N 3.42Å; S241-A261 VanDerWaalsContact OG-N 3.08Å; T259-A261 PolarHBondContact O-N 3.07Å; A261-L263 PolarHBondContact O-N 3.14Å; A261-Y282 WeakPolarHBondContact O-CE1 3.31Å |
| 262 | G | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 76 | 6.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T259 E260 Y282 K287 | T259-G262 PolarHBondContact O-N 3.01Å; E260-G262 PolarHBondContact O-N 3.41Å; E260-G262 VanDerWaalsContact O-N 3.12Å; G262-Y282 WeakPolarHBondContact O-CD1 3.4Å; G262-K287 WeakPolarHBondContact CA-O 3.43Å |
| 263 | L | 95.9 | Very high | 91.1 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | trans | -84 | 132.1 | 176.7 | -175.9 | 66.9 | 0 | 0 | 0 | 109.7 | T259 A261 K265 Q280 Y282 | T259-L263 PolarHBondContact N-O 2.62Å; T259-L263 VanDerWaalsContact N-O 3.12Å; T259-L263 WeakPolarHBondContact OG1-CB 3.48Å; T259-L263 PolarHBondContact OG1-N 3.38Å; T259-L263 PolarHBondContact OG1-O 3Å; A261-L263 PolarHBondContact O-N 3.14Å; L263-K265 HydrophobicContact CD2-CG 4.42Å; L263-K265 HydrophobicContact CG-CG 4.33Å; L263-Q280 HydrophobicContact CD1-CB 4.39Å; L263-Y282 HydrophobicContact CB-CD1 4.22Å; L263-Y282 HydrophobicContact CB-CE1 3.72Å; L263-Y282 HydrophobicContact CD1-CD1 4.4Å; L263-Y282 HydrophobicContact CD1-CD2 4.26Å; L263-Y282 HydrophobicContact CD1-CE1 4.07Å; L263-Y282 HydrophobicContact CD1-CE2 3.91Å; L263-Y282 HydrophobicContact CD1-CG 4.49Å; L263-Y282 HydrophobicContact CG-CE1 4.47Å | ||
| 264 | V | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.1 | 167.7 | 172.8 | 0 | 0 | 0 | 0 | 109.4 | L257 Q280 W281 P283 V289 I292 | L257-V264 WeakPolarHBondContact O-CA 3.49Å; L257-V264 WeakPolarHBondContact O-CG1 3.43Å; V264-Q280 CarbonylContact O-C 3.57Å; V264-Q280 VanDerWaalsContact O-CA 3.25Å; V264-Q280 WeakPolarHBondContact O-CA 3.32Å; V264-W281 HydrophobicContact CB-CD2 4.42Å; V264-W281 HydrophobicContact CB-CE3 4.12Å; V264-W281 HydrophobicContact CB-CH2 4.26Å; V264-W281 HydrophobicContact CB-CZ3 4.06Å; V264-W281 HydrophobicContact CG1-CE3 3.95Å; V264-W281 HydrophobicContact CG1-CH2 3.43Å; V264-W281 VanDerWaalsContact CG1-CH2 3.43Å; V264-W281 HydrophobicContact CG1-CZ2 4.07Å; V264-W281 HydrophobicContact CG1-CZ3 3.37Å; V264-W281 PolarHBondContact N-O 3.33Å; V264-W281 PolarHBondContact O-N 2.91Å; V264-P283 HydrophobicContact CB-CG 4.15Å; V264-P283 HydrophobicContact CG2-CG 3.57Å; V264-V289 HydrophobicContact CG2-CB 4.22Å; V264-V289 HydrophobicContact CG2-CG1 3.76Å; V264-V289 HydrophobicContact CG2-CG2 4.09Å; V264-I292 HydrophobicContact CG1-CD1 3.47Å; V264-I292 VanDerWaalsContact CG1-CD1 3.47Å |
| 265 | K | 95.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.8 | 174 | -59 | -170.7 | -176.2 | 164.4 | 0 | 111.3 | E239 L257 L263 Y267 H279 Q280 | E239-K265 VanDerWaalsContact OE1-CD 3.3Å; E239-K265 WeakPolarHBondContact OE1-CD 3.33Å; E239-K265 WeakPolarHBondContact OE1-CE 3.3Å; E239-K265 IonicContact OE1-NZ 2.72Å; E239-K265 PolarHBondContact OE1-NZ 3.41Å; E239-K265 WeakPolarHBondContact OE2-CE 3.14Å; E239-K265 IonicContact OE2-NZ 2.97Å; E239-K265 PolarHBondContact OE2-NZ 3.12Å; L257-K265 HydrophobicContact CD1-CB 3.96Å; L257-K265 HydrophobicContact CD1-CD 4.49Å; L257-K265 HydrophobicContact CD1-CG 4.24Å; L257-K265 HydrophobicContact CG-CB 4.25Å; L257-K265 PolarHBondContact N-O 2.79Å; L257-K265 PolarHBondContact O-N 3.5Å; L263-K265 HydrophobicContact CD2-CG 4.42Å; L263-K265 HydrophobicContact CG-CG 4.33Å; K265-Y267 HydrophobicContact CB-CD2 4.2Å; K265-Y267 HydrophobicContact CB-CE2 3.58Å; K265-Y267 HydrophobicContact CD-CE2 3.9Å; K265-Y267 VanDerWaalsContact CD-OH 3.26Å; K265-Y267 WeakPolarHBondContact CD-OH 3.49Å; K265-Y267 HydrophobicContact CG-CE2 4.41Å; K265-H279 WeakPolarHBondContact CA-O 3.4Å; K265-Q280 HydrophobicContact CB-CB 4.44Å; K265-Q280 HydrophobicContact CD-CB 4.48Å; K265-Q280 HydrophobicContact CG-CB 3.78Å |
| 266 | L | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.2 | 166.1 | -129.2 | 86.5 | 0 | 0 | 0 | 110.2 | R277 A278 H279 F294 W312 W333 | L266-R277 CarbonylContact O-C 3.59Å; L266-R277 WeakPolarHBondContact O-CA 3.27Å; L266-A278 PolarHBondContact O-N 2.86Å; L266-H279 HydrophobicContact CB-CB 4.37Å; L266-H279 PolarHBondContact N-O 2.63Å; L266-H279 PolarHBondContact O-N 3.07Å; L266-F294 HydrophobicContact CD1-CE1 3.91Å; L266-F294 HydrophobicContact CD1-CZ 3.91Å; L266-F294 HydrophobicContact CD2-CE1 4.32Å; L266-F294 HydrophobicContact CD2-CZ 4.31Å; L266-F294 HydrophobicContact CG-CZ 4.3Å; L266-W312 HydrophobicContact CD2-CE3 4.33Å; L266-W333 HydrophobicContact CD1-CH2 3.85Å; L266-W333 HydrophobicContact CD1-CZ3 4.46Å; L266-W333 HydrophobicContact CD2-CH2 3.75Å; L266-W333 HydrophobicContact CD2-CZ2 3.97Å; L266-W333 HydrophobicContact CG-CH2 4.25Å |
| 267 | Y | 93.6 | Very high | 90.2 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143 | 175 | -65.5 | -97 | 0 | 0 | 0 | 109.6 | I237 E239 A254 L255 L257 K265 V275 R276 R277 | I237-Y267 HydrophobicContact CD1-CD1 3.82Å; I237-Y267 HydrophobicContact CD1-CD2 3.63Å; I237-Y267 HydrophobicContact CD1-CE1 4.05Å; I237-Y267 HydrophobicContact CD1-CE2 3.87Å; I237-Y267 HydrophobicContact CD1-CG 3.59Å; I237-Y267 HydrophobicContact CG2-CE1 4.26Å; I237-Y267 HydrophobicContact CG2-CE2 4.04Å; E239-Y267 PolarHBondContact OE1-OH 2.92Å; A254-Y267 CarbonylContact C-O 3.59Å; A254-Y267 WeakPolarHBondContact CA-O 3.16Å; L255-Y267 PolarHBondContact N-O 3.21Å; L255-Y267 PolarHBondContact O-N 2.93Å; L257-Y267 HydrophobicContact CD2-CD2 4.22Å; L257-Y267 HydrophobicContact CD2-CE2 3.69Å; L257-Y267 HydrophobicContact CG-CD2 4.5Å; L257-Y267 HydrophobicContact CG-CE2 4.07Å; K265-Y267 HydrophobicContact CB-CD2 4.2Å; K265-Y267 HydrophobicContact CB-CE2 3.58Å; K265-Y267 HydrophobicContact CD-CE2 3.9Å; K265-Y267 VanDerWaalsContact CD-OH 3.26Å; K265-Y267 WeakPolarHBondContact CD-OH 3.49Å; K265-Y267 HydrophobicContact CG-CE2 4.41Å; Y267-V275 HydrophobicContact CD1-CG1 3.91Å; Y267-V275 HydrophobicContact CG-CG1 4.29Å; Y267-R276 CarbonylContact C-O 3.59Å; Y267-R276 WeakPolarHBondContact CA-O 3.39Å; Y267-R277 HydrophobicContact CD1-CB 3.76Å; Y267-R277 HydrophobicContact CD1-CG 4.36Å; Y267-R277 HydrophobicContact CE1-CB 3.59Å; Y267-R277 HydrophobicContact CE1-CG 4.05Å |
| 268 | I | 91.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136 | 170.7 | -60.6 | 169.3 | 0 | 0 | 0 | 107.9 | T253 E270 R276 A278 | T253-I268 CarbonylContact O-C 3.55Å; T253-I268 WeakPolarHBondContact O-CA 3.48Å; I268-E270 HydrophobicContact CG2-CG 3.85Å; I268-R276 PolarHBondContact N-O 2.62Å; I268-R276 PolarHBondContact O-N 2.84Å; I268-A278 HydrophobicContact CD1-CB 3.77Å; I268-A278 HydrophobicContact CG1-CB 3.89Å |
| 269 | L | 87.7 | Confident | 89.6 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 61.6 | -176.1 | -56.3 | -178.8 | 0 | 0 | 0 | 110.1 | L248 T253 L255 S271 V275 | L248-L269 HydrophobicContact CD2-CD1 3.71Å; T253-L269 PolarHBondContact O-N 3.05Å; L255-L269 HydrophobicContact CB-CD1 4.14Å; L255-L269 HydrophobicContact CB-CD2 4.48Å; L255-L269 HydrophobicContact CB-CG 4.35Å; L269-S271 PolarHBondContact O-N 2.92Å; L269-V275 HydrophobicContact CD2-CB 4.24Å; L269-V275 HydrophobicContact CD2-CG1 3.65Å; L269-V275 HydrophobicContact CD2-CG2 3.62Å |
| 270 | E | 78.4 | Confident | 89.5 | Confident | 144 Ų | 144 | 59.8 Ų | 59.8 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | -33.6 | 172.6 | -62.7 | -178.7 | -148.1 | 0 | 0 | 110.8 | I268 | I268-E270 HydrophobicContact CG2-CG 3.85Å |
| 271 | S | 79.6 | Confident | 89.5 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 41% | 0.413 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 148 | 169.3 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | L269 A273 D274 V275 | L269-S271 PolarHBondContact O-N 2.92Å; S271-A273 PolarHBondContact O-N 2.88Å; S271-A273 VanDerWaalsContact O-N 3.12Å; S271-A273 PolarHBondContact OG-N 2.87Å; S271-D274 CarbonylContact O-C 3.56Å; S271-D274 VanDerWaalsContact O-C 3.25Å; S271-D274 PolarHBondContact O-N 3.05Å; S271-V275 VanDerWaalsContact O-CG2 3.32Å; S271-V275 WeakPolarHBondContact O-CG2 3.2Å |
| 272 | F | 80.7 | Confident | 89.5 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | 173.2 | -52.2 | -65.3 | 0 | 0 | 0 | 113.3 | M200 V211 I213 A234 C235 | M200-F272 HydrophobicContact CE-CE1 4.04Å; M200-F272 HydrophobicContact CE-CZ 3.61Å; M200-F272 HydrophobicContact SD-CE1 4.31Å; M200-F272 HydrophobicContact SD-CZ 4.46Å; V211-F272 HydrophobicContact CG1-CE1 4.23Å; I213-F272 HydrophobicContact CD1-CE2 3.81Å; I213-F272 HydrophobicContact CD1-CZ 3.93Å; A234-F272 HydrophobicContact CB-CB 4.22Å; A234-F272 HydrophobicContact CB-CD1 4.04Å; A234-F272 HydrophobicContact CB-CD2 4.15Å; A234-F272 HydrophobicContact CB-CG 3.86Å; A234-F272 WeakPolarHBondContact O-CB 3.36Å; C235-F272 HydrophobicContact CB-CB 4.29Å; C235-F272 HydrophobicContact CB-CD1 4.44Å |
| 273 | A | 77.9 | Confident | 89.4 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 80% | 0.802 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -17.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S271 | S271-A273 PolarHBondContact O-N 2.88Å; S271-A273 VanDerWaalsContact O-N 3.12Å; S271-A273 PolarHBondContact OG-N 2.87Å |
| 274 | D | 80.2 | Confident | 89.3 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 61% | 0.61 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 86.9 | 178.6 | -165.6 | -1.4 | 0 | 0 | 0 | 109.7 | S271 | S271-D274 CarbonylContact O-C 3.56Å; S271-D274 VanDerWaalsContact O-C 3.25Å; S271-D274 PolarHBondContact O-N 3.05Å |
| 275 | V | 86.6 | Confident | 89 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.218 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 104.6 | -173.5 | 171.7 | 0 | 0 | 0 | 0 | 109.7 | C235 I237 Y267 L269 S271 | C235-V275 HydrophobicContact CB-CG2 4.43Å; I237-V275 HydrophobicContact CD1-CG1 3.98Å; I237-V275 HydrophobicContact CG1-CG1 4.46Å; Y267-V275 HydrophobicContact CD1-CG1 3.91Å; Y267-V275 HydrophobicContact CG-CG1 4.29Å; L269-V275 HydrophobicContact CD2-CB 4.24Å; L269-V275 HydrophobicContact CD2-CG1 3.65Å; L269-V275 HydrophobicContact CD2-CG2 3.62Å; S271-V275 VanDerWaalsContact O-CG2 3.32Å; S271-V275 WeakPolarHBondContact O-CG2 3.2Å |
| 276 | R | 88.6 | Confident | 88.8 | Confident | 159 Ų | 159 | 68.7 Ų | 68.7 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 117.3 | -169.3 | -178.2 | 177.9 | 176.5 | -177.3 | -0.5 | 111.3 | Y267 I268 A278 | Y267-R276 CarbonylContact C-O 3.59Å; Y267-R276 WeakPolarHBondContact CA-O 3.39Å; I268-R276 PolarHBondContact N-O 2.62Å; I268-R276 PolarHBondContact O-N 2.84Å; R276-A278 PolarHBondContact O-N 3.3Å; R276-A278 VanDerWaalsContact O-N 3.11Å |
| 277 | R | 92.1 | Very high | 88.7 | Confident | 130 Ų | 130 | 72.4 Ų | 72.4 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 111.8 | 168.6 | -172.9 | -168.2 | 61.1 | -157.2 | -16.1 | 109.8 | L266 Y267 | L266-R277 CarbonylContact O-C 3.59Å; L266-R277 WeakPolarHBondContact O-CA 3.27Å; Y267-R277 HydrophobicContact CD1-CB 3.76Å; Y267-R277 HydrophobicContact CD1-CG 4.36Å; Y267-R277 HydrophobicContact CE1-CB 3.59Å; Y267-R277 HydrophobicContact CE1-CG 4.05Å |
| 278 | A | 89.5 | Confident | 88.7 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L266 I268 R276 | L266-A278 PolarHBondContact O-N 2.86Å; I268-A278 HydrophobicContact CD1-CB 3.77Å; I268-A278 HydrophobicContact CG1-CB 3.89Å; R276-A278 PolarHBondContact O-N 3.3Å; R276-A278 VanDerWaalsContact O-N 3.11Å |
| 279 | H | 91.7 | Very high | 88.9 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.9 | 179.9 | -162.3 | 54.1 | 0 | 0 | 0 | 112.7 | K265 L266 W281 W333 | K265-H279 WeakPolarHBondContact CA-O 3.4Å; L266-H279 HydrophobicContact CB-CB 4.37Å; L266-H279 PolarHBondContact N-O 2.63Å; L266-H279 PolarHBondContact O-N 3.07Å; H279-W281 AromaticContact CD2-CD2 3.89Å; H279-W281 AromaticContact CD2-CE3 3.31Å; H279-W281 AromaticContact CD2-CZ3 3.79Å; H279-W281 AromaticContact NE2-CE3 3.92Å; H279-W333 HydrophobicContact CB-CZ2 4.14Å; H279-W333 AromaticContact CD2-CD1 3.65Å; H279-W333 AromaticContact CD2-CD2 3.36Å; H279-W333 AromaticContact CD2-CE2 3.65Å; H279-W333 AromaticContact CD2-CE3 3.94Å; H279-W333 AromaticContact CD2-CG 3.4Å; H279-W333 AromaticContact CD2-NE1 3.77Å; H279-W333 AromaticContact CE1-CD1 3.94Å; H279-W333 AromaticContact CG-CD1 3.83Å; H279-W333 AromaticContact CG-CE2 3.82Å; H279-W333 AromaticContact CG-NE1 3.67Å; H279-W333 AromaticContact ND1-CD1 3.99Å; H279-W333 AromaticContact NE2-CD1 3.77Å; H279-W333 AromaticContact NE2-CD2 3.96Å; H279-W333 AromaticContact NE2-CG 3.48Å |
| 280 | Q | 94.4 | Very high | 89.3 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 138 | 167.6 | 66.7 | 174.8 | 34.2 | 0 | 0 | 111.3 | L263 V264 K265 | L263-Q280 HydrophobicContact CD1-CB 4.39Å; V264-Q280 CarbonylContact O-C 3.57Å; V264-Q280 VanDerWaalsContact O-CA 3.25Å; V264-Q280 WeakPolarHBondContact O-CA 3.32Å; K265-Q280 HydrophobicContact CB-CB 4.44Å; K265-Q280 HydrophobicContact CD-CB 4.48Å; K265-Q280 HydrophobicContact CG-CB 3.78Å |
| 281 | W | 94.6 | Very high | 90 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 169.1 | 179.7 | 77.4 | 118.7 | 0 | 0 | 0 | 112.3 | V264 H279 P283 I292 T317 W328 W333 | V264-W281 HydrophobicContact CB-CD2 4.42Å; V264-W281 HydrophobicContact CB-CE3 4.12Å; V264-W281 HydrophobicContact CB-CH2 4.26Å; V264-W281 HydrophobicContact CB-CZ3 4.06Å; V264-W281 HydrophobicContact CG1-CE3 3.95Å; V264-W281 HydrophobicContact CG1-CH2 3.43Å; V264-W281 VanDerWaalsContact CG1-CH2 3.43Å; V264-W281 HydrophobicContact CG1-CZ2 4.07Å; V264-W281 HydrophobicContact CG1-CZ3 3.37Å; V264-W281 PolarHBondContact N-O 3.33Å; V264-W281 PolarHBondContact O-N 2.91Å; H279-W281 AromaticContact CD2-CD2 3.89Å; H279-W281 AromaticContact CD2-CE3 3.31Å; H279-W281 AromaticContact CD2-CZ3 3.79Å; H279-W281 AromaticContact NE2-CE3 3.92Å; W281-P283 WeakPolarHBondContact O-CD 3.27Å; W281-I292 HydrophobicContact CH2-CD1 4.02Å; W281-T317 HydrophobicContact CZ2-CG2 4.42Å; W281-W328 AromaticContact CD1-CH2 3.95Å; W281-W328 HydrophobicContact CZ2-CD2 4.49Å; W281-W328 AromaticContact NE1-CE3 3.89Å; W281-W328 AromaticContact NE1-CH2 3.43Å; W281-W328 AromaticContact NE1-CZ2 3.7Å; W281-W328 AromaticContact NE1-CZ3 3.51Å; W281-W333 HydrophobicContact CE3-CE3 4.44Å; W281-W333 AromaticContact CH2-CE3 3.52Å; W281-W333 HydrophobicContact CH2-CE3 3.52Å; W281-W333 HydrophobicContact CH2-CH2 4.3Å; W281-W333 AromaticContact CH2-CZ3 3.33Å; W281-W333 HydrophobicContact CH2-CZ3 3.33Å; W281-W333 AromaticContact CZ2-CE3 3.78Å; W281-W333 HydrophobicContact CZ2-CE3 3.78Å; W281-W333 AromaticContact CZ2-CZ3 3.96Å; W281-W333 HydrophobicContact CZ2-CZ3 3.96Å; W281-W333 AromaticContact CZ3-CE3 3.87Å; W281-W333 HydrophobicContact CZ3-CE3 3.87Å; W281-W333 HydrophobicContact CZ3-CH2 4.47Å; W281-W333 AromaticContact CZ3-CZ3 3.81Å; W281-W333 HydrophobicContact CZ3-CZ3 3.81Å |
| 282 | Y | 95.8 | Very high | 90.7 | Very high | 109 Ų | 109 | 63.6 Ų | 63.6 | 43% | 0.427 | 33% | 0.334 | S | S | . | . | trans | -105.4 | 84 | 174.2 | -69.7 | -82.4 | 0 | 0 | 0 | 109.5 | A261 G262 L263 H284 G285 Q286 | A261-Y282 WeakPolarHBondContact O-CE1 3.31Å; G262-Y282 WeakPolarHBondContact O-CD1 3.4Å; L263-Y282 HydrophobicContact CB-CD1 4.22Å; L263-Y282 HydrophobicContact CB-CE1 3.72Å; L263-Y282 HydrophobicContact CD1-CD1 4.4Å; L263-Y282 HydrophobicContact CD1-CD2 4.26Å; L263-Y282 HydrophobicContact CD1-CE1 4.07Å; L263-Y282 HydrophobicContact CD1-CE2 3.91Å; L263-Y282 HydrophobicContact CD1-CG 4.49Å; L263-Y282 HydrophobicContact CG-CE1 4.47Å; Y282-H284 PolarHBondContact O-N 3.11Å; Y282-G285 PolarHBondContact O-N 3.08Å; Y282-G285 VanDerWaalsContact O-N 3.15Å; Y282-Q286 HydrophobicContact CD1-CB 4.29Å; Y282-Q286 HydrophobicContact CD1-CG 3.68Å; Y282-Q286 HydrophobicContact CE1-CG 3.9Å; Y282-Q286 HydrophobicContact CG-CG 4.06Å | ||
| 283 | P | 93.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.3 | -172.5 | 17.1 | -30.8 | 0 | 0 | 0 | 114 | V264 W281 V289 T317 Y326 W328 | V264-P283 HydrophobicContact CB-CG 4.15Å; V264-P283 HydrophobicContact CG2-CG 3.57Å; W281-P283 WeakPolarHBondContact O-CD 3.27Å; P283-V289 HydrophobicContact CG-CG2 3.77Å; P283-T317 HydrophobicContact CB-CG2 4.2Å; P283-T317 HydrophobicContact CG-CG2 4.2Å; P283-Y326 WeakPolarHBondContact O-CD2 3.5Å; P283-Y326 WeakPolarHBondContact O-CE2 3.19Å; P283-W328 HydrophobicContact CB-CH2 3.96Å; P283-W328 HydrophobicContact CB-CZ2 3.29Å |
| 284 | H | 94.2 | Very high | 92 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 25.6 | -178.8 | -62.5 | -96.6 | 0 | 0 | 0 | 112.6 | Y282 K287 T317 A319 E324 Y326 | Y282-H284 PolarHBondContact O-N 3.11Å; H284-K287 HydrophobicContact CB-CB 4.1Å; H284-K287 WeakPolarHBondContact O-CB 3.2Å; H284-K287 WeakPolarHBondContact O-CG 3.39Å; H284-K287 PolarHBondContact O-N 3.26Å; H284-T317 PolarHBondContact NE2-O 3.07Å; H284-T317 PolarHBondContact NE2-OG1 2.86Å; H284-A319 HydrophobicContact CB-CB 3.57Å; H284-E324 IonicContact CE1-OE2 3.49Å; H284-E324 IonicContact CG-OE2 2.69Å; H284-E324 WeakPolarHBondContact ND1-CB 3.34Å; H284-E324 IonicContact ND1-OE2 3.25Å; H284-E324 PolarHBondContact ND1-OE2 3.09Å; H284-Y326 AromaticContact CE1-CD1 3.51Å; H284-Y326 AromaticContact CE1-CD2 3.49Å; H284-Y326 VanDerWaalsContact CE1-CD2 3.49Å; H284-Y326 WeakPolarHBondContact CE1-CD2 3.36Å; H284-Y326 AromaticContact CE1-CE1 3.76Å; H284-Y326 AromaticContact CE1-CE2 3.79Å; H284-Y326 AromaticContact CE1-CG 3.33Å; H284-Y326 AromaticContact CE1-CZ 3.88Å; H284-Y326 AromaticContact ND1-CD1 3.98Å; H284-Y326 AromaticContact ND1-CD2 3.65Å; H284-Y326 AromaticContact ND1-CE1 3.76Å; H284-Y326 AromaticContact ND1-CE2 3.46Å; H284-Y326 WeakPolarHBondContact ND1-CE2 3.41Å; H284-Y326 AromaticContact ND1-CG 3.9Å; H284-Y326 AromaticContact ND1-CZ 3.48Å; H284-Y326 AromaticContact NE2-CD2 3.94Å; H284-Y326 AromaticContact NE2-CG 3.91Å |
| 285 | G | 89.3 | Confident | 92.3 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 49.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y282 K287 | Y282-G285 PolarHBondContact O-N 3.08Å; Y282-G285 VanDerWaalsContact O-N 3.15Å; G285-K287 PolarHBondContact O-N 2.83Å |
| 286 | Q | 90.5 | Very high | 92 | Very high | 141 Ų | 141 | 52 Ų | 52 | 66% | 0.659 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 1.2 | -177.2 | -52.1 | 179.7 | 13 | 0 | 0 | 115.9 | Y282 | Y282-Q286 HydrophobicContact CD1-CB 4.29Å; Y282-Q286 HydrophobicContact CD1-CG 3.68Å; Y282-Q286 HydrophobicContact CE1-CG 3.9Å; Y282-Q286 HydrophobicContact CG-CG 4.06Å |
| 287 | K | 93.2 | Very high | 91 | Very high | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -63.3 | 143.6 | 164.8 | -66.8 | -174 | 177.1 | -169.8 | 0 | 111 | G262 H284 G285 V289 A319 E324 | G262-K287 WeakPolarHBondContact CA-O 3.43Å; H284-K287 HydrophobicContact CB-CB 4.1Å; H284-K287 WeakPolarHBondContact O-CB 3.2Å; H284-K287 WeakPolarHBondContact O-CG 3.39Å; H284-K287 PolarHBondContact O-N 3.26Å; G285-K287 PolarHBondContact O-N 2.83Å; K287-V289 PolarHBondContact O-N 2.95Å; K287-V289 VanDerWaalsContact O-N 3.16Å; K287-A319 HydrophobicContact CB-CB 4.38Å; K287-E324 IonicContact NZ-OE1 3.65Å; K287-E324 PolarHBondContact NZ-OE1 2.84Å |
| 288 | P | 93.3 | Very high | 89.5 | Confident | 56 Ų | 56 | 41.1 Ų | 41.1 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 118.1 | 178.6 | -24.7 | 33.9 | 0 | 0 | 0 | 112.3 | E260 A319 E320 | E260-P288 VanDerWaalsContact O-CA 3.31Å; E260-P288 WeakPolarHBondContact O-CA 3.48Å; E260-P288 WeakPolarHBondContact O-CB 3.34Å; E260-P288 WeakPolarHBondContact O-CG 3.28Å; P288-A319 VanDerWaalsContact O-CA 3.24Å; P288-A319 WeakPolarHBondContact O-CA 3.41Å; P288-A319 VanDerWaalsContact O-CB 3.32Å; P288-A319 WeakPolarHBondContact O-CB 3.19Å; P288-E320 PolarHBondContact O-N 2.93Å |
| 289 | V | 95.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.2 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 107.5 | T244 S258 T259 V264 P283 K287 S318 | T244-V289 VanDerWaalsContact CB-O 3.32Å; T244-V289 WeakPolarHBondContact CB-O 3.46Å; T244-V289 WeakPolarHBondContact CG2-O 3.3Å; T244-V289 PolarHBondContact OG1-O 3.12Å; S258-V289 VanDerWaalsContact CB-CG1 3.44Å; T259-V289 PolarHBondContact O-N 2.82Å; V264-V289 HydrophobicContact CG2-CB 4.22Å; V264-V289 HydrophobicContact CG2-CG1 3.76Å; V264-V289 HydrophobicContact CG2-CG2 4.09Å; P283-V289 HydrophobicContact CG-CG2 3.77Å; K287-V289 PolarHBondContact O-N 2.95Å; K287-V289 VanDerWaalsContact O-N 3.16Å; V289-S318 CarbonylContact C-O 3.6Å; V289-S318 VanDerWaalsContact CA-O 3.32Å; V289-S318 WeakPolarHBondContact CA-O 3.34Å; V289-S318 VanDerWaalsContact CG1-O 3.28Å; V289-S318 WeakPolarHBondContact CG1-O 3.31Å |
| 290 | T | 94.5 | Very high | 85.2 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -44.3 | -174.9 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | S318 G321 | T290-S318 PolarHBondContact N-O 3.04Å; T290-G321 PolarHBondContact OG1-N 3.27Å |
| 291 | T | 94.4 | Very high | 82.7 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 147.6 | -177.8 | -60 | 0 | 0 | 0 | 0 | 111.2 | Y245 V293 T317 S318 | Y245-T291 HydrophobicContact CD1-CG2 3.96Å; Y245-T291 HydrophobicContact CE1-CG2 4.12Å; Y245-T291 HydrophobicContact CG-CG2 4.17Å; T291-V293 HydrophobicContact CG2-CG2 3.77Å; T291-T317 WeakPolarHBondContact O-CA 3.19Å; T291-S318 WeakPolarHBondContact CB-OG 3.32Å; T291-S318 PolarHBondContact N-OG 2.81Å; T291-S318 VanDerWaalsContact N-OG 3.07Å; T291-S318 PolarHBondContact O-N 2.79Å |
| 292 | I | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.9 | 156.9 | 176.9 | 162.3 | 0 | 0 | 0 | 109.3 | Y245 V264 W281 I316 T317 | Y245-I292 WeakPolarHBondContact CD1-O 3.33Å; Y245-I292 WeakPolarHBondContact CE1-O 3.35Å; V264-I292 HydrophobicContact CG1-CD1 3.47Å; V264-I292 VanDerWaalsContact CG1-CD1 3.47Å; W281-I292 HydrophobicContact CH2-CD1 4.02Å; I292-I316 WeakPolarHBondContact CA-O 3.43Å; I292-T317 HydrophobicContact CB-CG2 4.28Å; I292-T317 HydrophobicContact CD1-CG2 3.98Å; I292-T317 HydrophobicContact CG1-CG2 4.12Å |
| 293 | V | 92.7 | Very high | 76.8 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.8 | 177.7 | 166.5 | 0 | 0 | 0 | 0 | 110 | Y245 T291 A315 I316 I355 | Y245-V293 HydrophobicContact CE1-CG2 3.79Å; T291-V293 HydrophobicContact CG2-CG2 3.77Å; V293-A315 VanDerWaalsContact O-CA 3.31Å; V293-A315 WeakPolarHBondContact O-CA 3.5Å; V293-A315 WeakPolarHBondContact O-CB 3.28Å; V293-I316 HydrophobicContact CB-CG2 4.06Å; V293-I316 PolarHBondContact N-O 2.82Å; V293-I316 PolarHBondContact O-N 2.68Å; V293-I355 HydrophobicContact CB-CD1 3.8Å; V293-I355 HydrophobicContact CG1-CD1 3.85Å; V293-I355 HydrophobicContact CG2-CD1 4.03Å |
| 294 | F | 92.1 | Very high | 73.9 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 133.6 | 169.5 | -60 | -63.5 | 0 | 0 | 0 | 110.7 | A254 L266 D296 W312 A315 | A254-F294 HydrophobicContact CB-CZ 4.27Å; L266-F294 HydrophobicContact CD1-CE1 3.91Å; L266-F294 HydrophobicContact CD1-CZ 3.91Å; L266-F294 HydrophobicContact CD2-CE1 4.32Å; L266-F294 HydrophobicContact CD2-CZ 4.31Å; L266-F294 HydrophobicContact CG-CZ 4.3Å; F294-D296 PolarHBondContact O-N 2.7Å; F294-W312 HydrophobicContact CD1-CB 3.49Å; F294-W312 VanDerWaalsContact CD1-CB 3.49Å; F294-W312 HydrophobicContact CD2-CB 4.3Å; F294-W312 HydrophobicContact CE1-CB 3.55Å; F294-W312 HydrophobicContact CE2-CB 4.35Å; F294-W312 HydrophobicContact CG-CB 3.88Å; F294-W312 HydrophobicContact CZ-CB 3.99Å; F294-A315 HydrophobicContact CD1-CB 4.4Å |
| 295 | L | 87.9 | Confident | 71.1 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | trans | -91.6 | 51.1 | -178 | -64 | 167.6 | 0 | 0 | 0 | 111 | T314 I316 L327 I355 A359 I377 P384 | L295-T314 WeakPolarHBondContact CB-OG1 3.49Å; L295-T314 PolarHBondContact N-O 2.76Å; L295-T314 PolarHBondContact O-OG1 2.88Å; L295-I316 HydrophobicContact CD1-CB 4.14Å; L295-I316 HydrophobicContact CD2-CB 4.15Å; L295-I316 HydrophobicContact CD2-CG2 3.82Å; L295-I316 HydrophobicContact CG-CB 4.28Å; L295-I316 HydrophobicContact CG-CG2 4.24Å; L295-L327 HydrophobicContact CD1-CD2 3.8Å; L295-I355 HydrophobicContact CD2-CG2 4.46Å; L295-A359 HydrophobicContact CB-CB 4Å; L295-A359 HydrophobicContact CD2-CB 4.08Å; L295-I377 HydrophobicContact CD2-CD1 4.24Å; L295-P384 HydrophobicContact CD1-CB 4.15Å | ||
| 296 | D | 79.9 | Confident | 68.7 | Low | 18 Ų | 18 | 59 Ų | 59 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | trans | -90.5 | 134.2 | 175.7 | -62.7 | -43.5 | 0 | 0 | 0 | 110.1 | P250 F294 L298 F311 W312 | P250-D296 WeakPolarHBondContact CD-OD2 3.32Å; P250-D296 HydrophobicContact CG-CB 3.66Å; P250-D296 WeakPolarHBondContact CG-OD2 3.17Å; F294-D296 PolarHBondContact O-N 2.7Å; D296-L298 PolarHBondContact O-N 2.7Å; D296-L298 VanDerWaalsContact O-N 3.14Å; D296-F311 HydrophobicContact CB-CD1 4.3Å; D296-W312 PolarHBondContact OD1-N 3.35Å; D296-W312 WeakPolarHBondContact OD2-CA 3.21Å; D296-W312 PolarHBondContact OD2-N 3.3Å | ||
| 297 | S | 67.8 | Low | 66.5 | Low | 34 Ų | 34 | 57.3 Ų | 57.3 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | trans | -76.9 | 103.7 | -179.5 | -164.9 | 0 | 0 | 0 | 0 | 111.4 | C299 S300 D358 | S297-C299 PolarHBondContact O-N 3.41Å; S297-S300 PolarHBondContact O-N 3.14Å; S297-S300 PolarHBondContact O-OG 2.87Å; S297-S300 VanDerWaalsContact O-OG 3.11Å; S297-D358 WeakPolarHBondContact CB-O 3.06Å; S297-D358 WeakPolarHBondContact OG-CA 3.49Å; S297-D358 PolarHBondContact OG-O 2.94Å; S297-D358 VanDerWaalsContact OG-O 3.08Å | ||
| 298 | L | 59 | Low | 64.8 | Low | 27 Ų | 27 | 59.5 Ų | 59.5 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.7 | -179 | -43 | 177.3 | 0 | 0 | 0 | 112.1 | Y114 P168 P250 D296 S357 | Y114-L298 HydrophobicContact CD1-CD1 4.39Å; Y114-L298 HydrophobicContact CE1-CD1 3.48Å; Y114-L298 VanDerWaalsContact CE1-CD1 3.48Å; P168-L298 HydrophobicContact CB-CD1 3.96Å; P168-L298 HydrophobicContact CB-CD2 3.62Å; P168-L298 HydrophobicContact CB-CG 4.36Å; P168-L298 HydrophobicContact CG-CD1 4.21Å; P168-L298 HydrophobicContact CG-CD2 4.07Å; P250-L298 HydrophobicContact CB-CD2 4.16Å; P250-L298 HydrophobicContact CG-CD2 3.67Å; D296-L298 PolarHBondContact O-N 2.7Å; D296-L298 VanDerWaalsContact O-N 3.14Å; L298-S357 WeakPolarHBondContact CA-O 3.44Å; L298-S357 WeakPolarHBondContact CB-O 3.42Å; L298-S357 WeakPolarHBondContact CG-O 3.22Å; L298-S357 PolarHBondContact N-O 3.29Å |
| 299 | C | 50.3 | Low | 63.3 | Low | 65 Ų | 65 | 60.3 Ų | 60.3 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -24.2 | 172.1 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | S297 V301 S357 D358 | S297-C299 PolarHBondContact O-N 3.41Å; C299-V301 PolarHBondContact O-N 2.85Å; C299-V301 VanDerWaalsContact O-N 3.14Å; C299-S357 PolarHBondContact SG-OG 2.84Å; C299-D358 HydrophobicContact CB-CB 4.08Å |
| 300 | S | 42.6 | Very low | 62.3 | Low | 67 Ų | 67 | 66.3 Ų | 66.3 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | trans | -81.3 | 13.9 | -173.3 | 77.8 | 0 | 0 | 0 | 0 | 114.7 | S297 I302 | S297-S300 PolarHBondContact O-N 3.14Å; S297-S300 PolarHBondContact O-OG 2.87Å; S297-S300 VanDerWaalsContact O-OG 3.11Å; S300-I302 PolarHBondContact O-N 2.81Å | ||
| 301 | V | 40.9 | Very low | 61.7 | Low | 51 Ų | 51 | 67 Ų | 67 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | trans | -81 | 45.2 | 172.8 | -160.6 | 0 | 0 | 0 | 0 | 110.7 | A170 C299 | A170-V301 HydrophobicContact CB-CG2 3.84Å; C299-V301 PolarHBondContact O-N 2.85Å; C299-V301 VanDerWaalsContact O-N 3.14Å | ||
| 302 | I | 35.4 | Very low | 61.2 | Low | 123 Ų | 123 | 68.7 Ų | 68.7 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | trans | -88.7 | 128 | 163.7 | -59.3 | 176.1 | 0 | 0 | 0 | 105.7 | S300 S304 | S300-I302 PolarHBondContact O-N 2.81Å; I302-S304 PolarHBondContact O-N 2.89Å | ||
| 303 | P | 31.8 | Very low | 60.9 | Low | 89 Ų | 89 | 70.6 Ų | 70.6 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | trans | -77 | 46.9 | -171.6 | 30.7 | -35.8 | 0 | 0 | 0 | 114.3 | Y305 | P303-Y305 PolarHBondContact O-N 2.69Š| ||
| 304 | S | 32.3 | Very low | 60.8 | Low | 75 Ų | 75 | 69.6 Ų | 69.6 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | trans | -79.8 | 79.1 | 175.1 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | I302 T306 | I302-S304 PolarHBondContact O-N 2.89Å; S304-T306 PolarHBondContact O-N 2.98Å | ||
| 305 | Y | 34.2 | Very low | 61 | Low | 226 Ų | 226 | 68.9 Ų | 68.9 | 89% | 0.886 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 60 | -4.5 | 155 | -67.1 | -80.8 | 0 | 0 | 0 | 120.5 | P303 | P303-Y305 PolarHBondContact O-N 2.69Š|
| 306 | T | 38.9 | Very low | 61.3 | Low | 91 Ų | 91 | 68.5 Ų | 68.5 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | trans | -92.3 | 131.7 | 175.8 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | R172 S304 | R172-T306 PolarHBondContact NH2-O 3.37Å; S304-T306 PolarHBondContact O-N 2.98Å | ||
| 307 | T | 45.4 | Very low | 62.2 | Low | 105 Ų | 105 | 67.7 Ų | 67.7 | 64% | 0.644 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -88.6 | -15.7 | 172.5 | 41.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 308 | D | 56.8 | Low | 63.5 | Low | 124 Ų | 124 | 66.1 Ų | 66.1 | 66% | 0.663 | 36% | 0.357 | S | S | * | . | trans | -111.1 | 35.3 | -158.8 | -55.1 | -4 | 0 | 0 | 0 | 111.7 | Q310 | D308-Q310 PolarHBondContact O-N 2.86Š| ||
| 309 | V | 62.9 | Low | 65.2 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -69.7 | 99 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | F311 | V309-F311 HydrophobicContact CG1-CD1 4.45Å; V309-F311 HydrophobicContact CG1-CE1 3.82Å; V309-F311 HydrophobicContact CG1-CE2 4.5Å; V309-F311 HydrophobicContact CG1-CZ 3.85Å | ||
| 310 | Q | 73.2 | Confident | 67.1 | Low | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | trans | -92.2 | 119 | 178.4 | -62.2 | -177.2 | 15.1 | 0 | 0 | 110.4 | D308 K313 | D308-Q310 PolarHBondContact O-N 2.86Å; Q310-K313 HydrophobicContact CB-CD 4.42Å; Q310-K313 HydrophobicContact CB-CG 3.95Å | ||
| 311 | F | 82.6 | Confident | 69.3 | Low | 38 Ų | 38 | 63.3 Ų | 63.3 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | trans | -83.1 | 170 | 178.1 | -60.9 | -66 | 0 | 0 | 0 | 113.1 | A170 P250 D251 D296 V309 K313 | A170-F311 HydrophobicContact CB-CE1 3.84Å; A170-F311 HydrophobicContact CB-CE2 4.37Å; A170-F311 HydrophobicContact CB-CZ 3.5Å; P250-F311 HydrophobicContact CB-CD1 3.7Å; P250-F311 HydrophobicContact CB-CE1 3.82Å; P250-F311 HydrophobicContact CB-CG 4.2Å; P250-F311 HydrophobicContact CB-CZ 4.42Å; P250-F311 HydrophobicContact CG-CD1 3.75Å; P250-F311 HydrophobicContact CG-CE1 4.25Å; P250-F311 HydrophobicContact CG-CG 4.34Å; D251-F311 HydrophobicContact CB-CD2 3.74Å; D251-F311 HydrophobicContact CB-CE2 4.13Å; D296-F311 HydrophobicContact CB-CD1 4.3Å; V309-F311 HydrophobicContact CG1-CD1 4.45Å; V309-F311 HydrophobicContact CG1-CE1 3.82Å; V309-F311 HydrophobicContact CG1-CE2 4.5Å; V309-F311 HydrophobicContact CG1-CZ 3.85Å; F311-K313 PolarHBondContact O-N 2.86Å | ||
| 312 | W | 84.8 | Confident | 71.8 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 51.4 | 19.4 | 176.8 | 57 | -93.2 | 0 | 0 | 0 | 115.3 | T253 A254 L266 F294 D296 T314 C330 | T253-W312 PolarHBondContact OG1-NE1 2.9Å; A254-W312 HydrophobicContact CB-CD2 4.32Å; A254-W312 HydrophobicContact CB-CG 4.19Å; L266-W312 HydrophobicContact CD2-CE3 4.33Å; F294-W312 HydrophobicContact CD1-CB 3.49Å; F294-W312 VanDerWaalsContact CD1-CB 3.49Å; F294-W312 HydrophobicContact CD2-CB 4.3Å; F294-W312 HydrophobicContact CE1-CB 3.55Å; F294-W312 HydrophobicContact CE2-CB 4.35Å; F294-W312 HydrophobicContact CG-CB 3.88Å; F294-W312 HydrophobicContact CZ-CB 3.99Å; D296-W312 PolarHBondContact OD1-N 3.35Å; D296-W312 WeakPolarHBondContact OD2-CA 3.21Å; D296-W312 PolarHBondContact OD2-N 3.3Å; W312-T314 VanDerWaalsContact C-N 3.26Å; W312-T314 PolarHBondContact O-N 3.03Å; W312-C330 WeakPolarHBondContact O-CB 3.2Å; W312-C330 PolarHBondContact O-SG 3.02Å |
| 313 | K | 87.4 | Confident | 74.5 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -66.7 | -26 | -178.7 | -75.7 | -72.8 | 151.1 | 178.8 | 0 | 113.9 | Q310 F311 C330 D331 | Q310-K313 HydrophobicContact CB-CD 4.42Å; Q310-K313 HydrophobicContact CB-CG 3.95Å; F311-K313 PolarHBondContact O-N 2.86Å; K313-C330 WeakPolarHBondContact O-CB 3.43Å; K313-C330 PolarHBondContact O-N 3.31Å; K313-D331 WeakPolarHBondContact CD-OD2 3.28Å; K313-D331 IonicContact NZ-OD1 3.84Å; K313-D331 PolarHBondContact NZ-OD1 3.25Å; K313-D331 IonicContact NZ-OD2 3.13Å; K313-D331 PolarHBondContact NZ-OD2 2.96Å |
| 314 | T | 91.9 | Very high | 77.5 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.1 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | L295 W312 W328 V379 A382 P384 | L295-T314 WeakPolarHBondContact CB-OG1 3.49Å; L295-T314 PolarHBondContact N-O 2.76Å; L295-T314 PolarHBondContact O-OG1 2.88Å; W312-T314 VanDerWaalsContact C-N 3.26Å; W312-T314 PolarHBondContact O-N 3.03Å; T314-W328 VanDerWaalsContact CA-O 3.29Å; T314-W328 WeakPolarHBondContact CA-O 3.46Å; T314-V379 HydrophobicContact CG2-CG1 4.03Å; T314-A382 WeakPolarHBondContact CG2-O 3.27Å; T314-P384 HydrophobicContact CG2-CG 4.07Å |
| 315 | A | 94.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 156.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V293 F294 W328 | V293-A315 VanDerWaalsContact O-CA 3.31Å; V293-A315 WeakPolarHBondContact O-CA 3.5Å; V293-A315 WeakPolarHBondContact O-CB 3.28Å; F294-A315 HydrophobicContact CD1-CB 4.4Å; A315-W328 PolarHBondContact N-O 2.77Å; A315-W328 VanDerWaalsContact N-O 3.07Å; A315-W328 PolarHBondContact O-N 3.06Å |
| 316 | I | 96.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.5 | 166.4 | -173.2 | 167.4 | 0 | 0 | 0 | 109.5 | I292 V293 L295 L325 Y326 L327 I355 F386 | I292-I316 WeakPolarHBondContact CA-O 3.43Å; V293-I316 HydrophobicContact CB-CG2 4.06Å; V293-I316 PolarHBondContact N-O 2.82Å; V293-I316 PolarHBondContact O-N 2.68Å; L295-I316 HydrophobicContact CD1-CB 4.14Å; L295-I316 HydrophobicContact CD2-CB 4.15Å; L295-I316 HydrophobicContact CD2-CG2 3.82Å; L295-I316 HydrophobicContact CG-CB 4.28Å; L295-I316 HydrophobicContact CG-CG2 4.24Å; I316-L325 HydrophobicContact CD1-CD2 4.26Å; I316-Y326 WeakPolarHBondContact CA-O 3.17Å; I316-L327 HydrophobicContact CB-CD2 3.89Å; I316-L327 HydrophobicContact CD1-CD2 3.91Å; I316-L327 HydrophobicContact CG1-CD2 3.86Å; I316-I355 HydrophobicContact CG2-CD1 3.59Å; I316-F386 HydrophobicContact CD1-CZ 4.22Å |
| 317 | T | 97.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.4 | 165.6 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | W281 P283 H284 T291 I292 L325 Y326 W328 | W281-T317 HydrophobicContact CZ2-CG2 4.42Å; P283-T317 HydrophobicContact CB-CG2 4.2Å; P283-T317 HydrophobicContact CG-CG2 4.2Å; H284-T317 PolarHBondContact NE2-O 3.07Å; H284-T317 PolarHBondContact NE2-OG1 2.86Å; T291-T317 WeakPolarHBondContact O-CA 3.19Å; I292-T317 HydrophobicContact CB-CG2 4.28Å; I292-T317 HydrophobicContact CD1-CG2 3.98Å; I292-T317 HydrophobicContact CG1-CG2 4.12Å; T317-L325 WeakPolarHBondContact O-CA 3.22Å; T317-Y326 PolarHBondContact N-O 3.09Å; T317-Y326 PolarHBondContact O-N 2.85Å; T317-W328 PolarHBondContact OG1-NE1 2.68Å |
| 318 | S | 96 | Very high | 88.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151 | 171.7 | 73.6 | 0 | 0 | 0 | 0 | 112.1 | V289 T290 T291 N322 E324 | V289-S318 CarbonylContact C-O 3.6Å; V289-S318 VanDerWaalsContact CA-O 3.32Å; V289-S318 WeakPolarHBondContact CA-O 3.34Å; V289-S318 VanDerWaalsContact CG1-O 3.28Å; V289-S318 WeakPolarHBondContact CG1-O 3.31Å; T290-S318 PolarHBondContact N-O 3.04Å; T291-S318 WeakPolarHBondContact CB-OG 3.32Å; T291-S318 PolarHBondContact N-OG 2.81Å; T291-S318 VanDerWaalsContact N-OG 3.07Å; T291-S318 PolarHBondContact O-N 2.79Å; S318-N322 VanDerWaalsContact CB-OD1 3.3Å; S318-N322 WeakPolarHBondContact CB-OD1 3.28Å; S318-N322 PolarHBondContact OG-OD1 3.17Å; S318-E324 CarbonylContact C-O 3.57Å; S318-E324 WeakPolarHBondContact CA-O 3.29Å |
| 319 | A | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 170.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H284 K287 P288 G321 N322 R323 E324 | H284-A319 HydrophobicContact CB-CB 3.57Å; K287-A319 HydrophobicContact CB-CB 4.38Å; P288-A319 VanDerWaalsContact O-CA 3.24Å; P288-A319 WeakPolarHBondContact O-CA 3.41Å; P288-A319 VanDerWaalsContact O-CB 3.32Å; P288-A319 WeakPolarHBondContact O-CB 3.19Å; A319-G321 VanDerWaalsContact C-N 3.35Å; A319-G321 PolarHBondContact O-N 3Å; A319-N322 PolarHBondContact O-N 2.98Å; A319-R323 PolarHBondContact O-N 3.3Å; A319-E324 PolarHBondContact N-O 2.92Å; A319-E324 PolarHBondContact O-N 2.92Å |
| 320 | E | 89.9 | Confident | 91.4 | Very high | 95 Ų | 95 | 23.3 Ų | 23.3 | 44% | 0.444 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 46.7 | 175.6 | -152.3 | 66.6 | -148.6 | 0 | 0 | 112.4 | P288 R323 | P288-E320 PolarHBondContact O-N 2.93Å; E320-R323 HydrophobicContact CB-CB 4.48Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 WeakPolarHBondContact O-CG 3.27Å |
| 321 | G | 88.7 | Confident | 92.1 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 6% | 0.062 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 44.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T290 A319 R323 N350 L351 | T290-G321 PolarHBondContact OG1-N 3.27Å; A319-G321 VanDerWaalsContact C-N 3.35Å; A319-G321 PolarHBondContact O-N 3Å; G321-R323 VanDerWaalsContact C-N 3.27Å; G321-R323 PolarHBondContact O-N 3.14Å; G321-N350 WeakPolarHBondContact CA-OD1 3.45Å; G321-L351 PolarHBondContact O-N 3.45Å |
| 322 | N | 93.4 | Very high | 92.3 | Very high | 12 Ų | 12 | 22.1 Ų | 22.1 | 6% | 0.064 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 26.7 | -175.9 | -58.6 | -57.3 | 0 | 0 | 0 | 115.3 | S318 A319 L351 L353 | S318-N322 VanDerWaalsContact CB-OD1 3.3Å; S318-N322 WeakPolarHBondContact CB-OD1 3.28Å; S318-N322 PolarHBondContact OG-OD1 3.17Å; A319-N322 PolarHBondContact O-N 2.98Å; N322-L351 HydrophobicContact CB-CB 4.25Å; N322-L351 PolarHBondContact ND2-O 3.03Å; N322-L353 HydrophobicContact CB-CB 4.06Å |
| 323 | R | 92.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 7% | 0.072 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -28.8 | 177.8 | -70.4 | -173.7 | 170.5 | -71.1 | -15.3 | 113.8 | A319 E320 G321 E340 I341 T347 G349 L351 | A319-R323 PolarHBondContact O-N 3.3Å; E320-R323 HydrophobicContact CB-CB 4.48Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 WeakPolarHBondContact O-CG 3.27Å; G321-R323 VanDerWaalsContact C-N 3.27Å; G321-R323 PolarHBondContact O-N 3.14Å; R323-E340 CarbonylContact O-C 3.59Å; R323-E340 WeakPolarHBondContact O-CA 3.45Å; R323-I341 WeakPolarHBondContact CB-O 3.44Å; R323-I341 PolarHBondContact NH1-O 3.34Å; R323-I341 VanDerWaalsContact NH1-O 3.15Å; R323-I341 PolarHBondContact O-N 2.87Å; R323-T347 VanDerWaalsContact CZ-O 3.24Å; R323-T347 PolarHBondContact NH2-O 3.13Å; R323-G349 PolarHBondContact NE-O 3.48Å; R323-G349 PolarHBondContact NH2-O 2.82Å; R323-L351 HydrophobicContact CG-CD1 3.95Å; R323-L351 HydrophobicContact CG-CG 4.23Å |
| 324 | E | 93.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 139.3 | 166.7 | -67.4 | -175.3 | -159 | 0 | 0 | 110.1 | H284 K287 S318 A319 Y326 V339 E340 | H284-E324 IonicContact CE1-OE2 3.49Å; H284-E324 IonicContact CG-OE2 2.69Å; H284-E324 WeakPolarHBondContact ND1-CB 3.34Å; H284-E324 IonicContact ND1-OE2 3.25Å; H284-E324 PolarHBondContact ND1-OE2 3.09Å; K287-E324 IonicContact NZ-OE1 3.65Å; K287-E324 PolarHBondContact NZ-OE1 2.84Å; S318-E324 CarbonylContact C-O 3.57Å; S318-E324 WeakPolarHBondContact CA-O 3.29Å; A319-E324 PolarHBondContact N-O 2.92Å; A319-E324 PolarHBondContact O-N 2.92Å; E324-Y326 HydrophobicContact CB-CE1 4.04Å; E324-Y326 HydrophobicContact CG-CE1 4.42Å; E324-Y326 WeakPolarHBondContact OE2-CE1 3.43Å; E324-Y326 PolarHBondContact OE2-OH 2.88Å; E324-V339 WeakPolarHBondContact CA-O 3.09Å; E324-E340 HydrophobicContact CG-CG 4.33Å |
| 325 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 108.4 | 178.8 | -64.8 | 174.6 | 0 | 0 | 0 | 109.4 | I316 T317 A338 V339 L353 V364 F375 F386 | I316-L325 HydrophobicContact CD1-CD2 4.26Å; T317-L325 WeakPolarHBondContact O-CA 3.22Å; L325-A338 WeakPolarHBondContact O-CA 3.31Å; L325-V339 HydrophobicContact CB-CB 4.26Å; L325-V339 HydrophobicContact CD1-CG1 4.4Å; L325-V339 PolarHBondContact N-O 3.06Å; L325-V339 PolarHBondContact O-N 3.35Å; L325-L353 HydrophobicContact CD2-CD1 3.99Å; L325-L353 HydrophobicContact CD2-CD2 3.81Å; L325-L353 HydrophobicContact CD2-CG 4.49Å; L325-V364 HydrophobicContact CD1-CG2 3.78Å; L325-F375 HydrophobicContact CD1-CD2 4.35Å; L325-F375 HydrophobicContact CD1-CE2 4.19Å; L325-F386 HydrophobicContact CB-CE2 4.34Å; L325-F386 HydrophobicContact CB-CZ 3.99Å; L325-F386 WeakPolarHBondContact O-CE2 3.39Å |
| 326 | Y | 96.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 8% | 0.082 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 134.2 | -177.1 | -69.7 | 7.1 | 0 | 0 | 0 | 110.4 | F8 P283 H284 I316 T317 E324 W328 R335 A338 | F8-Y326 HydrophobicContact CZ-CE1 4.14Å; P283-Y326 WeakPolarHBondContact O-CD2 3.5Å; P283-Y326 WeakPolarHBondContact O-CE2 3.19Å; H284-Y326 AromaticContact CE1-CD1 3.51Å; H284-Y326 AromaticContact CE1-CD2 3.49Å; H284-Y326 VanDerWaalsContact CE1-CD2 3.49Å; H284-Y326 WeakPolarHBondContact CE1-CD2 3.36Å; H284-Y326 AromaticContact CE1-CE1 3.76Å; H284-Y326 AromaticContact CE1-CE2 3.79Å; H284-Y326 AromaticContact CE1-CG 3.33Å; H284-Y326 AromaticContact CE1-CZ 3.88Å; H284-Y326 AromaticContact ND1-CD1 3.98Å; H284-Y326 AromaticContact ND1-CD2 3.65Å; H284-Y326 AromaticContact ND1-CE1 3.76Å; H284-Y326 AromaticContact ND1-CE2 3.46Å; H284-Y326 WeakPolarHBondContact ND1-CE2 3.41Å; H284-Y326 AromaticContact ND1-CG 3.9Å; H284-Y326 AromaticContact ND1-CZ 3.48Å; H284-Y326 AromaticContact NE2-CD2 3.94Å; H284-Y326 AromaticContact NE2-CG 3.91Å; I316-Y326 WeakPolarHBondContact CA-O 3.17Å; T317-Y326 PolarHBondContact N-O 3.09Å; T317-Y326 PolarHBondContact O-N 2.85Å; E324-Y326 HydrophobicContact CB-CE1 4.04Å; E324-Y326 HydrophobicContact CG-CE1 4.42Å; E324-Y326 WeakPolarHBondContact OE2-CE1 3.43Å; E324-Y326 PolarHBondContact OE2-OH 2.88Å; Y326-W328 AromaticContact CD2-CZ2 3.9Å; Y326-W328 HydrophobicContact CD2-CZ2 3.9Å; Y326-W328 VanDerWaalsContact O-CD1 3.26Å; Y326-W328 PolarHBondContact O-NE1 3.41Å; Y326-R335 HydrophobicContact CD2-CG 4.25Å; Y326-R335 HydrophobicContact CG-CG 4.25Å; Y326-A338 HydrophobicContact CD1-CB 3.51Å; Y326-A338 HydrophobicContact CE1-CB 3.71Å; Y326-A338 HydrophobicContact CG-CB 4.26Å |
| 327 | L | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.9 | 176.4 | -56.1 | 179 | 0 | 0 | 0 | 110.5 | L295 I316 R335 T336 S337 I377 P384 F386 | L295-L327 HydrophobicContact CD1-CD2 3.8Å; I316-L327 HydrophobicContact CB-CD2 3.89Å; I316-L327 HydrophobicContact CD1-CD2 3.91Å; I316-L327 HydrophobicContact CG1-CD2 3.86Å; L327-R335 CarbonylContact O-C 3.59Å; L327-R335 WeakPolarHBondContact O-CA 3.44Å; L327-R335 WeakPolarHBondContact O-CG 3.3Å; L327-T336 PolarHBondContact O-N 3.33Å; L327-T336 PolarHBondContact O-OG1 3.3Å; L327-S337 PolarHBondContact N-O 2.84Å; L327-I377 HydrophobicContact CD1-CG2 4.34Å; L327-I377 HydrophobicContact CD2-CD1 4.28Å; L327-P384 HydrophobicContact CB-CB 4.15Å; L327-P384 HydrophobicContact CB-CG 3.88Å; L327-P384 HydrophobicContact CD1-CB 4.22Å; L327-F386 HydrophobicContact CD1-CD1 3.95Å; L327-F386 HydrophobicContact CD1-CD2 3.69Å; L327-F386 HydrophobicContact CD1-CE1 3.96Å; L327-F386 HydrophobicContact CD1-CE2 3.71Å; L327-F386 HydrophobicContact CD1-CG 3.82Å; L327-F386 HydrophobicContact CD1-CZ 3.85Å; L327-F386 HydrophobicContact CD2-CE1 4.09Å; L327-F386 HydrophobicContact CD2-CE2 4.12Å; L327-F386 HydrophobicContact CD2-CZ 3.68Å; L327-F386 HydrophobicContact CG-CD2 4.03Å; L327-F386 HydrophobicContact CG-CE1 4.21Å; L327-F386 HydrophobicContact CG-CE2 3.54Å; L327-F386 HydrophobicContact CG-CZ 3.64Å |
| 328 | W | 93.8 | Very high | 92.4 | Very high | 18 Ų | 18 | 28.7 Ų | 28.7 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.9 | -169.7 | -56.7 | 86.5 | 0 | 0 | 0 | 113 | W281 P283 T314 A315 T317 Y326 W333 R335 P384 | W281-W328 AromaticContact CD1-CH2 3.95Å; W281-W328 HydrophobicContact CZ2-CD2 4.49Å; W281-W328 AromaticContact NE1-CE3 3.89Å; W281-W328 AromaticContact NE1-CH2 3.43Å; W281-W328 AromaticContact NE1-CZ2 3.7Å; W281-W328 AromaticContact NE1-CZ3 3.51Å; P283-W328 HydrophobicContact CB-CH2 3.96Å; P283-W328 HydrophobicContact CB-CZ2 3.29Å; T314-W328 VanDerWaalsContact CA-O 3.29Å; T314-W328 WeakPolarHBondContact CA-O 3.46Å; A315-W328 PolarHBondContact N-O 2.77Å; A315-W328 VanDerWaalsContact N-O 3.07Å; A315-W328 PolarHBondContact O-N 3.06Å; T317-W328 PolarHBondContact OG1-NE1 2.68Å; Y326-W328 AromaticContact CD2-CZ2 3.9Å; Y326-W328 HydrophobicContact CD2-CZ2 3.9Å; Y326-W328 VanDerWaalsContact O-CD1 3.26Å; Y326-W328 PolarHBondContact O-NE1 3.41Å; W328-W333 WeakPolarHBondContact CZ3-O 3.44Å; W328-R335 HydrophobicContact CD2-CB 4.22Å; W328-R335 HydrophobicContact CE3-CB 3.88Å; W328-R335 HydrophobicContact CH2-CB 3.9Å; W328-R335 HydrophobicContact CH2-CG 4.45Å; W328-R335 HydrophobicContact CZ2-CB 4.23Å; W328-R335 HydrophobicContact CZ2-CG 4.32Å; W328-R335 HydrophobicContact CZ3-CB 3.73Å; W328-P384 WeakPolarHBondContact O-CG 3.48Å |
| 329 | E | 92 | Very high | 92.3 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.8 | 164.4 | 176 | -177.8 | -125.2 | 0 | 0 | 108.3 | D331 S332 W333 Q334 T336 K383 | E329-D331 VanDerWaalsContact C-N 3.34Å; E329-D331 PolarHBondContact O-N 3.23Å; E329-S332 PolarHBondContact O-N 2.63Å; E329-S332 VanDerWaalsContact OE2-CB 3.25Å; E329-S332 WeakPolarHBondContact OE2-CB 3.49Å; E329-S332 PolarHBondContact OE2-OG 2.86Å; E329-W333 VanDerWaalsContact O-CA 3.24Å; E329-W333 WeakPolarHBondContact O-CA 3.34Å; E329-W333 PolarHBondContact O-N 3.06Å; E329-Q334 PolarHBondContact N-O 2.89Å; E329-T336 HydrophobicContact CB-CG2 4.21Å; E329-K383 WeakPolarHBondContact OE1-CE 3.29Å |
| 330 | C | 89.8 | Confident | 92.3 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.1 | -171.5 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | W312 K313 W333 | W312-C330 WeakPolarHBondContact O-CB 3.2Å; W312-C330 PolarHBondContact O-SG 3.02Å; K313-C330 WeakPolarHBondContact O-CB 3.43Å; K313-C330 PolarHBondContact O-N 3.31Å; C330-W333 HydrophobicContact CB-CH2 3.62Å; C330-W333 HydrophobicContact CB-CZ2 3.98Å; C330-W333 HydrophobicContact CB-CZ3 3.97Å; C330-W333 WeakPolarHBondContact O-CZ2 3.45Å; C330-W333 PolarHBondContact O-NE1 2.9Å |
| 331 | D | 87 | Confident | 92.4 | Very high | 97 Ų | 97 | 25.7 Ų | 25.7 | 52% | 0.519 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -32.7 | 173.4 | -73.4 | -24.2 | 0 | 0 | 0 | 111.9 | K313 E329 | K313-D331 WeakPolarHBondContact CD-OD2 3.28Å; K313-D331 IonicContact NZ-OD1 3.84Å; K313-D331 PolarHBondContact NZ-OD1 3.25Å; K313-D331 IonicContact NZ-OD2 3.13Å; K313-D331 PolarHBondContact NZ-OD2 2.96Å; E329-D331 VanDerWaalsContact C-N 3.34Å; E329-D331 PolarHBondContact O-N 3.23Å |
| 332 | S | 87.9 | Confident | 92.3 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 30% | 0.301 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -13 | -175.3 | 76.3 | 0 | 0 | 0 | 0 | 114.2 | E329 Q334 | E329-S332 PolarHBondContact O-N 2.63Å; E329-S332 VanDerWaalsContact OE2-CB 3.25Å; E329-S332 WeakPolarHBondContact OE2-CB 3.49Å; E329-S332 PolarHBondContact OE2-OG 2.86Å; S332-Q334 PolarHBondContact O-N 3.47Å; S332-Q334 PolarHBondContact O-NE2 3.14Å; S332-Q334 WeakPolarHBondContact OG-CB 3.28Å; S332-Q334 WeakPolarHBondContact OG-CG 3.44Å; S332-Q334 PolarHBondContact OG-N 3.22Å; S332-Q334 VanDerWaalsContact OG-N 3.13Å |
| 333 | W | 89.1 | Confident | 91.7 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 28.3 | -167.5 | -56.6 | 98.6 | 0 | 0 | 0 | 113.5 | L266 H279 W281 W328 E329 C330 | L266-W333 HydrophobicContact CD1-CH2 3.85Å; L266-W333 HydrophobicContact CD1-CZ3 4.46Å; L266-W333 HydrophobicContact CD2-CH2 3.75Å; L266-W333 HydrophobicContact CD2-CZ2 3.97Å; L266-W333 HydrophobicContact CG-CH2 4.25Å; H279-W333 HydrophobicContact CB-CZ2 4.14Å; H279-W333 AromaticContact CD2-CD1 3.65Å; H279-W333 AromaticContact CD2-CD2 3.36Å; H279-W333 AromaticContact CD2-CE2 3.65Å; H279-W333 AromaticContact CD2-CE3 3.94Å; H279-W333 AromaticContact CD2-CG 3.4Å; H279-W333 AromaticContact CD2-NE1 3.77Å; H279-W333 AromaticContact CE1-CD1 3.94Å; H279-W333 AromaticContact CG-CD1 3.83Å; H279-W333 AromaticContact CG-CE2 3.82Å; H279-W333 AromaticContact CG-NE1 3.67Å; H279-W333 AromaticContact ND1-CD1 3.99Å; H279-W333 AromaticContact NE2-CD1 3.77Å; H279-W333 AromaticContact NE2-CD2 3.96Å; H279-W333 AromaticContact NE2-CG 3.48Å; W281-W333 HydrophobicContact CE3-CE3 4.44Å; W281-W333 AromaticContact CH2-CE3 3.52Å; W281-W333 HydrophobicContact CH2-CE3 3.52Å; W281-W333 HydrophobicContact CH2-CH2 4.3Å; W281-W333 AromaticContact CH2-CZ3 3.33Å; W281-W333 HydrophobicContact CH2-CZ3 3.33Å; W281-W333 AromaticContact CZ2-CE3 3.78Å; W281-W333 HydrophobicContact CZ2-CE3 3.78Å; W281-W333 AromaticContact CZ2-CZ3 3.96Å; W281-W333 HydrophobicContact CZ2-CZ3 3.96Å; W281-W333 AromaticContact CZ3-CE3 3.87Å; W281-W333 HydrophobicContact CZ3-CE3 3.87Å; W281-W333 HydrophobicContact CZ3-CH2 4.47Å; W281-W333 AromaticContact CZ3-CZ3 3.81Å; W281-W333 HydrophobicContact CZ3-CZ3 3.81Å; W328-W333 WeakPolarHBondContact CZ3-O 3.44Å; E329-W333 VanDerWaalsContact O-CA 3.24Å; E329-W333 WeakPolarHBondContact O-CA 3.34Å; E329-W333 PolarHBondContact O-N 3.06Å; C330-W333 HydrophobicContact CB-CH2 3.62Å; C330-W333 HydrophobicContact CB-CZ2 3.98Å; C330-W333 HydrophobicContact CB-CZ3 3.97Å; C330-W333 WeakPolarHBondContact O-CZ2 3.45Å; C330-W333 PolarHBondContact O-NE1 2.9Å |
| 334 | Q | 90.4 | Very high | 90.7 | Very high | 91 Ų | 91 | 31.9 Ų | 31.9 | 43% | 0.425 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 135.6 | 171 | -60.7 | -47.9 | -82.5 | 0 | 0 | 110.3 | E329 S332 T336 | E329-Q334 PolarHBondContact N-O 2.89Å; S332-Q334 PolarHBondContact O-N 3.47Å; S332-Q334 PolarHBondContact O-NE2 3.14Å; S332-Q334 WeakPolarHBondContact OG-CB 3.28Å; S332-Q334 WeakPolarHBondContact OG-CG 3.44Å; S332-Q334 PolarHBondContact OG-N 3.22Å; S332-Q334 VanDerWaalsContact OG-N 3.13Å; Q334-T336 PolarHBondContact O-N 3.36Å |
| 335 | R | 93 | Very high | 89.2 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 114.8 | 169.9 | -171.8 | -169.8 | 72.9 | 172.1 | 5.7 | 109.4 | C28 Y326 L327 W328 S337 | C28-R335 PolarHBondContact SG-NH2 2.7Å; Y326-R335 HydrophobicContact CD2-CG 4.25Å; Y326-R335 HydrophobicContact CG-CG 4.25Å; L327-R335 CarbonylContact O-C 3.59Å; L327-R335 WeakPolarHBondContact O-CA 3.44Å; L327-R335 WeakPolarHBondContact O-CG 3.3Å; W328-R335 HydrophobicContact CD2-CB 4.22Å; W328-R335 HydrophobicContact CE3-CB 3.88Å; W328-R335 HydrophobicContact CH2-CB 3.9Å; W328-R335 HydrophobicContact CH2-CG 4.45Å; W328-R335 HydrophobicContact CZ2-CB 4.23Å; W328-R335 HydrophobicContact CZ2-CG 4.32Å; W328-R335 HydrophobicContact CZ3-CB 3.73Å; R335-S337 WeakPolarHBondContact CG-O 3.46Å |
| 336 | T | 92.4 | Very high | 87.3 | Confident | 35 Ų | 35 | 45.3 Ų | 45.3 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -33.1 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | L327 E329 Q334 K383 P384 | L327-T336 PolarHBondContact O-N 3.33Å; L327-T336 PolarHBondContact O-OG1 3.3Å; E329-T336 HydrophobicContact CB-CG2 4.21Å; Q334-T336 PolarHBondContact O-N 3.36Å; T336-K383 HydrophobicContact CG2-CB 4.32Å; T336-K383 HydrophobicContact CG2-CG 4.29Å; T336-P384 VanDerWaalsContact CB-O 3.31Å; T336-P384 WeakPolarHBondContact CB-O 3.49Å; T336-P384 WeakPolarHBondContact OG1-CG 3.24Å; T336-P384 PolarHBondContact OG1-O 3.16Å |
| 337 | S | 93 | Very high | 85.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 157.5 | 179.8 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | S27 L327 R335 | S27-S337 CarbonylContact O-C 3.48Å; S27-S337 WeakPolarHBondContact O-CA 3.47Å; S27-S337 WeakPolarHBondContact O-CB 3.38Å; S27-S337 PolarHBondContact O-OG 3.37Å; L327-S337 PolarHBondContact N-O 2.84Å; R335-S337 WeakPolarHBondContact CG-O 3.46Å |
| 338 | A | 94.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 134.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F8 S27 C28 T29 L325 Y326 | F8-A338 HydrophobicContact CE1-CB 3.79Å; F8-A338 HydrophobicContact CZ-CB 4.01Å; S27-A338 PolarHBondContact O-N 3.38Å; C28-A338 CarbonylContact C-O 3.59Å; C28-A338 WeakPolarHBondContact CA-O 3.37Å; C28-A338 HydrophobicContact CB-CB 4.48Å; T29-A338 PolarHBondContact N-O 2.88Å; L325-A338 WeakPolarHBondContact O-CA 3.31Å; Y326-A338 HydrophobicContact CD1-CB 3.51Å; Y326-A338 HydrophobicContact CE1-CB 3.71Å; Y326-A338 HydrophobicContact CG-CB 4.26Å |
| 339 | V | 95 | Very high | 83.2 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.9 | 168.1 | 159.5 | 0 | 0 | 0 | 0 | 109.6 | T29 V31 E324 L325 I341 F375 F386 | T29-V339 CarbonylContact O-C 3.58Å; T29-V339 VanDerWaalsContact O-CA 3.27Å; T29-V339 WeakPolarHBondContact O-CA 3.41Å; V31-V339 HydrophobicContact CG2-CG1 4.23Å; E324-V339 WeakPolarHBondContact CA-O 3.09Å; L325-V339 HydrophobicContact CB-CB 4.26Å; L325-V339 HydrophobicContact CD1-CG1 4.4Å; L325-V339 PolarHBondContact N-O 3.06Å; L325-V339 PolarHBondContact O-N 3.35Å; V339-I341 HydrophobicContact CG1-CG1 4.35Å; V339-F375 HydrophobicContact CB-CE1 4.35Å; V339-F375 HydrophobicContact CG1-CD1 4.49Å; V339-F375 HydrophobicContact CG1-CE1 3.61Å; V339-F375 HydrophobicContact CG1-CE2 4.47Å; V339-F375 HydrophobicContact CG1-CZ 3.61Å; V339-F375 HydrophobicContact CG2-CD1 4.2Å; V339-F375 HydrophobicContact CG2-CE1 3.9Å; V339-F386 HydrophobicContact CB-CD2 4.18Å; V339-F386 HydrophobicContact CB-CE2 3.96Å; V339-F386 HydrophobicContact CG2-CB 4.44Å; V339-F386 HydrophobicContact CG2-CD2 3.46Å; V339-F386 VanDerWaalsContact CG2-CD2 3.46Å; V339-F386 HydrophobicContact CG2-CE2 3.77Å; V339-F386 HydrophobicContact CG2-CG 3.98Å |
| 340 | E | 93.8 | Very high | 82.8 | Confident | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.9 | 172.3 | -176.2 | -175.7 | -179 | 0 | 0 | 110.2 | F8 T29 R30 V31 R323 E324 P342 | F8-E340 HydrophobicContact CD1-CB 4.3Å; F8-E340 HydrophobicContact CE1-CB 3.98Å; T29-E340 PolarHBondContact O-N 3.36Å; R30-E340 CarbonylContact C-O 3.58Å; R30-E340 WeakPolarHBondContact CA-O 3.45Å; R30-E340 HydrophobicContact CB-CB 4.42Å; R30-E340 HydrophobicContact CG-CB 4.27Å; R30-E340 HydrophobicContact CG-CG 4.43Å; R30-E340 IonicContact CZ-OE1 3.57Å; R30-E340 IonicContact CZ-OE2 3.14Å; R30-E340 IonicContact NE-OE1 2.75Å; R30-E340 IonicContact NE-OE2 3.61Å; R30-E340 PolarHBondContact NE-OE2 3.39Å; R30-E340 IonicContact NH2-OE1 3.62Å; R30-E340 PolarHBondContact NH2-OE1 3.3Å; R30-E340 IonicContact NH2-OE2 2.7Å; R30-E340 PolarHBondContact NH2-OE2 3.38Å; V31-E340 PolarHBondContact N-O 3.03Å; R323-E340 CarbonylContact O-C 3.59Å; R323-E340 WeakPolarHBondContact O-CA 3.45Å; E324-E340 HydrophobicContact CG-CG 4.33Å; E340-P342 WeakPolarHBondContact O-CD 3.23Å |
| 341 | I | 91.9 | Very high | 82.9 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | trans | -110.1 | 88.3 | 173.2 | -57.5 | 165.5 | 0 | 0 | 0 | 107.3 | V31 R323 V339 L351 V364 Y373 F375 | V31-I341 HydrophobicContact CB-CG1 4.44Å; R323-I341 WeakPolarHBondContact CB-O 3.44Å; R323-I341 PolarHBondContact NH1-O 3.34Å; R323-I341 VanDerWaalsContact NH1-O 3.15Å; R323-I341 PolarHBondContact O-N 2.87Å; V339-I341 HydrophobicContact CG1-CG1 4.35Å; I341-L351 HydrophobicContact CB-CD1 4.31Å; I341-L351 HydrophobicContact CD1-CD1 4.22Å; I341-L351 HydrophobicContact CG2-CD1 4.01Å; I341-V364 HydrophobicContact CD1-CB 4.25Å; I341-V364 HydrophobicContact CD1-CG1 4.16Å; I341-V364 HydrophobicContact CD1-CG2 4.27Å; I341-Y373 HydrophobicContact CD1-CD2 3.92Å; I341-Y373 HydrophobicContact CD1-CE2 4.34Å; I341-Y373 HydrophobicContact CD1-CG 4.23Å; I341-Y373 HydrophobicContact CG2-CE2 4Å; I341-F375 HydrophobicContact CD1-CE2 4.2Å; I341-F375 HydrophobicContact CD1-CZ 4.17Å | ||
| 342 | P | 85.6 | Confident | 83.1 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 143.8 | -172.4 | 26.7 | -34.6 | 0 | 0 | 0 | 111.4 | R30 V31 V32 E340 | R30-P342 HydrophobicContact CG-CG 4.09Å; V31-P342 WeakPolarHBondContact O-CD 3.49Å; V32-P342 HydrophobicContact CG2-CG 4.42Å; E340-P342 WeakPolarHBondContact O-CD 3.23Å |
| 343 | A | 81.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 49% | 0.488 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 132.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 344 | T | 70.9 | Confident | 83.7 | Confident | 63 Ų | 63 | 45 Ų | 45 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -86 | 170.4 | 165.6 | 75.9 | 0 | 0 | 0 | 0 | 109.2 | E346 T347 | T344-E346 PolarHBondContact O-N 2.94Å; T344-E346 PolarHBondContact OG1-N 3.17Å; T344-T347 PolarHBondContact N-OG1 2.96Å; T344-T347 PolarHBondContact O-N 3.2Å; T344-T347 PolarHBondContact OG1-N 2.92Å; T344-T347 PolarHBondContact OG1-OG1 3.29Å; T344-T347 VanDerWaalsContact OG1-OG1 3.05Å |
| 345 | T | 63 | Low | 83.8 | Confident | 148 Ų | 148 | 42.6 Ų | 42.6 | 91% | 0.908 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -16.3 | 175.1 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 346 | E | 56.6 | Low | 83.6 | Confident | 147 Ų | 147 | 39.6 Ų | 39.6 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -11.4 | 179.7 | -58.9 | -175.3 | 177.4 | 0 | 0 | 113 | T344 Q368 | T344-E346 PolarHBondContact O-N 2.94Å; T344-E346 PolarHBondContact OG1-N 3.17Å; E346-Q368 PolarHBondContact O-NE2 2.71Å |
| 347 | T | 62.3 | Low | 83.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | trans | -121.5 | 45.9 | -171.9 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | R323 T344 G349 Q368 L369 | R323-T347 VanDerWaalsContact CZ-O 3.24Å; R323-T347 PolarHBondContact NH2-O 3.13Å; T344-T347 PolarHBondContact N-OG1 2.96Å; T344-T347 PolarHBondContact O-N 3.2Å; T344-T347 PolarHBondContact OG1-N 2.92Å; T344-T347 PolarHBondContact OG1-OG1 3.29Å; T344-T347 VanDerWaalsContact OG1-OG1 3.05Å; T347-G349 PolarHBondContact O-N 2.92Å; T347-G349 VanDerWaalsContact O-N 3.07Å; T347-Q368 HydrophobicContact CG2-CB 4.47Å; T347-L369 HydrophobicContact CG2-CD1 3.96Å; T347-L369 HydrophobicContact CG2-CD2 3.72Å; T347-L369 HydrophobicContact CG2-CG 3.61Å | ||
| 348 | A | 64.9 | Low | 82.6 | Confident | 95 Ų | 95 | 41 Ų | 41 | 79% | 0.785 | 25% | 0.254 | S | S | * | . | trans | -68.4 | 2.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 349 | G | 73.5 | Confident | 82.3 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -81.9 | 155.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R323 T347 | R323-G349 PolarHBondContact NE-O 3.48Å; R323-G349 PolarHBondContact NH2-O 2.82Å; T347-G349 PolarHBondContact O-N 2.92Å; T347-G349 VanDerWaalsContact O-N 3.07Å |
| 350 | N | 83.6 | Confident | 82 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -62 | 141.4 | 168.2 | -66.8 | -6.4 | 0 | 0 | 0 | 110.5 | C60 G321 | C60-N350 PolarHBondContact SG-O 3.42Å; G321-N350 WeakPolarHBondContact CA-OD1 3.45Å |
| 351 | L | 91.2 | Very high | 82 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -92.8 | 160.5 | 167.6 | -54.2 | 178.3 | 0 | 0 | 0 | 110.1 | G321 N322 R323 I341 V364 D366 | G321-L351 PolarHBondContact O-N 3.45Å; N322-L351 HydrophobicContact CB-CB 4.25Å; N322-L351 PolarHBondContact ND2-O 3.03Å; R323-L351 HydrophobicContact CG-CD1 3.95Å; R323-L351 HydrophobicContact CG-CG 4.23Å; I341-L351 HydrophobicContact CB-CD1 4.31Å; I341-L351 HydrophobicContact CD1-CD1 4.22Å; I341-L351 HydrophobicContact CG2-CD1 4.01Å; L351-V364 HydrophobicContact CB-CG1 3.47Å; L351-V364 VanDerWaalsContact CB-CG1 3.47Å; L351-V364 HydrophobicContact CD1-CG1 3.59Å; L351-V364 HydrophobicContact CG-CG1 4.1Å; L351-D366 HydrophobicContact CD2-CB 3.63Å; L351-D366 WeakPolarHBondContact CD2-OD2 3.31Å |
| 352 | S | 91.8 | Very high | 82.2 | Confident | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.5 | 176 | -63 | 0 | 0 | 0 | 0 | 110.7 | C60 F354 V364 S365 | C60-S352 PolarHBondContact SG-OG 3.29Å; C60-S352 VanDerWaalsContact SG-OG 3.41Å; S352-F354 VanDerWaalsContact CB-CE2 3.49Å; S352-F354 WeakPolarHBondContact O-CD2 3.43Å; S352-F354 WeakPolarHBondContact O-CE2 3.22Å; S352-V364 CarbonylContact O-C 3.55Å; S352-V364 WeakPolarHBondContact O-CA 3.28Å; S352-S365 PolarHBondContact N-O 2.9Å; S352-S365 VanDerWaalsContact N-O 3.14Å; S352-S365 PolarHBondContact O-N 3.2Å |
| 353 | L | 94 | Very high | 82.7 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.9 | 179 | 174.7 | 65.2 | 0 | 0 | 0 | 111.4 | N322 L325 I355 A362 V364 | N322-L353 HydrophobicContact CB-CB 4.06Å; L325-L353 HydrophobicContact CD2-CD1 3.99Å; L325-L353 HydrophobicContact CD2-CD2 3.81Å; L325-L353 HydrophobicContact CD2-CG 4.49Å; L353-I355 HydrophobicContact CD1-CG1 4.44Å; L353-I355 HydrophobicContact CD2-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.4Å; L353-A362 HydrophobicContact CD1-CB 4.23Å; L353-V364 HydrophobicContact CD1-CG2 3.95Å |
| 354 | F | 93.8 | Very high | 83.3 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.4 | 176.5 | -50.4 | -88.5 | 0 | 0 | 0 | 108.7 | Q64 S352 A362 I363 L401 I403 | Q64-F354 HydrophobicContact CG-CE1 4.24Å; S352-F354 VanDerWaalsContact CB-CE2 3.49Å; S352-F354 WeakPolarHBondContact O-CD2 3.43Å; S352-F354 WeakPolarHBondContact O-CE2 3.22Å; F354-A362 CarbonylContact O-C 3.51Å; F354-A362 WeakPolarHBondContact O-CA 3.31Å; F354-I363 HydrophobicContact CB-CB 4.46Å; F354-I363 PolarHBondContact N-O 3.05Å; F354-I363 PolarHBondContact O-N 2.9Å; F354-L401 HydrophobicContact CB-CD2 4.28Å; F354-L401 HydrophobicContact CD1-CB 3.86Å; F354-L401 HydrophobicContact CD1-CG 4.31Å; F354-L401 WeakPolarHBondContact CD1-O 3.38Å; F354-L401 HydrophobicContact CD2-CB 3.92Å; F354-L401 HydrophobicContact CD2-CD2 3.75Å; F354-L401 HydrophobicContact CD2-CG 4.2Å; F354-L401 HydrophobicContact CE1-CB 3.77Å; F354-L401 VanDerWaalsContact CE1-N 3.34Å; F354-L401 WeakPolarHBondContact CE1-O 3.47Å; F354-L401 HydrophobicContact CE2-CB 3.8Å; F354-L401 HydrophobicContact CE2-CD2 4.29Å; F354-L401 HydrophobicContact CG-CB 3.95Å; F354-L401 HydrophobicContact CG-CD2 3.98Å; F354-L401 HydrophobicContact CG-CG 4.07Å; F354-L401 HydrophobicContact CZ-CB 3.74Å; F354-I403 HydrophobicContact CB-CD1 4.48Å |
| 355 | I | 92.4 | Very high | 84.3 | Confident | 39 Ų | 39 | 36 Ų | 36 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.5 | -177.1 | -59.6 | 162.4 | 0 | 0 | 0 | 107.8 | V293 L295 I316 L353 F361 | V293-I355 HydrophobicContact CB-CD1 3.8Å; V293-I355 HydrophobicContact CG1-CD1 3.85Å; V293-I355 HydrophobicContact CG2-CD1 4.03Å; L295-I355 HydrophobicContact CD2-CG2 4.46Å; I316-I355 HydrophobicContact CG2-CD1 3.59Å; L353-I355 HydrophobicContact CD1-CG1 4.44Å; L353-I355 HydrophobicContact CD2-CD1 4.47Å; L353-I355 HydrophobicContact CG-CG1 4.4Å; I355-F361 WeakPolarHBondContact CA-O 3.46Å |
| 356 | S | 90.1 | Very high | 85.6 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | trans | -70.7 | 152.3 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 111.9 | D358 A359 H360 F361 | S356-D358 WeakPolarHBondContact CB-OD1 3.24Å; S356-D358 PolarHBondContact O-N 3.39Å; S356-D358 VanDerWaalsContact O-N 3.08Å; S356-D358 PolarHBondContact OG-OD1 2.82Å; S356-A359 PolarHBondContact O-N 2.68Å; S356-H360 PolarHBondContact OG-N 3.35Å; S356-F361 PolarHBondContact N-O 2.82Å; S356-F361 PolarHBondContact OG-N 3.36Å; S356-F361 PolarHBondContact OG-O 3.17Å | ||
| 357 | S | 82.5 | Confident | 87.1 | Confident | 42 Ų | 42 | 22.4 Ų | 22.4 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.4 | -176.6 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | K72 L298 C299 | K72-S357 PolarHBondContact NZ-OG 3.42Å; L298-S357 WeakPolarHBondContact CA-O 3.44Å; L298-S357 WeakPolarHBondContact CB-O 3.42Å; L298-S357 WeakPolarHBondContact CG-O 3.22Å; L298-S357 PolarHBondContact N-O 3.29Å; C299-S357 PolarHBondContact SG-OG 2.84Å |
| 358 | D | 82.1 | Confident | 88.2 | Confident | 23 Ų | 23 | 27 Ų | 27 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -0.7 | 173.5 | 55.1 | 15.2 | 0 | 0 | 0 | 113.6 | S297 C299 S356 H360 | S297-D358 WeakPolarHBondContact CB-O 3.06Å; S297-D358 WeakPolarHBondContact OG-CA 3.49Å; S297-D358 PolarHBondContact OG-O 2.94Å; S297-D358 VanDerWaalsContact OG-O 3.08Å; C299-D358 HydrophobicContact CB-CB 4.08Å; S356-D358 WeakPolarHBondContact CB-OD1 3.24Å; S356-D358 PolarHBondContact O-N 3.39Å; S356-D358 VanDerWaalsContact O-N 3.08Å; S356-D358 PolarHBondContact OG-OD1 2.82Å; D358-H360 PolarHBondContact O-N 3.23Å; D358-H360 PolarHBondContact OD1-N 3.02Å; D358-H360 IonicContact OD2-CD2 2.61Å |
| 359 | A | 87.3 | Confident | 89.1 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 61.6 | 12.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L295 S356 | L295-A359 HydrophobicContact CB-CB 4Å; L295-A359 HydrophobicContact CD2-CB 4.08Å; S356-A359 PolarHBondContact O-N 2.68Å |
| 360 | H | 90.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 23.6 Ų | 23.6 | 39% | 0.394 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -82.8 | -17.8 | 179.9 | -74.2 | -51.3 | 0 | 0 | 0 | 115.3 | S356 D358 I377 | S356-H360 PolarHBondContact OG-N 3.35Å; D358-H360 PolarHBondContact O-N 3.23Å; D358-H360 PolarHBondContact OD1-N 3.02Å; D358-H360 IonicContact OD2-CD2 2.61Å; H360-I377 PolarHBondContact ND1-O 3.22Å; H360-I377 PolarHBondContact O-N 3.08Å |
| 361 | F | 93.8 | Very high | 90 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.2 | -179.4 | -64.6 | -83.4 | 0 | 0 | 0 | 112.3 | I355 S356 I374 F375 E376 L406 I408 I425 | I355-F361 WeakPolarHBondContact CA-O 3.46Å; S356-F361 PolarHBondContact N-O 2.82Å; S356-F361 PolarHBondContact OG-N 3.36Å; S356-F361 PolarHBondContact OG-O 3.17Å; F361-I374 HydrophobicContact CD1-CG2 4.24Å; F361-F375 WeakPolarHBondContact CA-O 3.49Å; F361-E376 HydrophobicContact CD1-CB 4.49Å; F361-E376 HydrophobicContact CE1-CB 4.22Å; F361-E376 HydrophobicContact CE1-CG 4.16Å; F361-L406 HydrophobicContact CB-CD1 4.18Å; F361-L406 HydrophobicContact CD2-CB 3.67Å; F361-L406 HydrophobicContact CD2-CD1 4.41Å; F361-L406 HydrophobicContact CE2-CB 3.86Å; F361-L406 WeakPolarHBondContact CE2-O 3.34Å; F361-L406 HydrophobicContact CG-CB 4.24Å; F361-L406 HydrophobicContact CG-CD1 4.14Å; F361-I408 HydrophobicContact CZ-CG1 4.15Å; F361-I425 HydrophobicContact CE1-CD1 4.22Å; F361-I425 HydrophobicContact CE1-CG1 4.31Å; F361-I425 HydrophobicContact CE1-CG2 3.93Å; F361-I425 HydrophobicContact CZ-CG2 4.27Å |
| 362 | A | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | L353 F354 F375 I377 | L353-A362 HydrophobicContact CD1-CB 4.23Å; F354-A362 CarbonylContact O-C 3.51Å; F354-A362 WeakPolarHBondContact O-CA 3.31Å; A362-F375 HydrophobicContact CB-CB 4.48Å; A362-F375 PolarHBondContact N-O 3.33Å; A362-F375 PolarHBondContact O-N 3.46Å; A362-I377 HydrophobicContact CB-CD1 3.95Å |
| 363 | I | 95.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.9 | 178 | -53.2 | 178.2 | 0 | 0 | 0 | 108.9 | F354 L372 Y373 I374 L401 I403 L406 L429 | F354-I363 HydrophobicContact CB-CB 4.46Å; F354-I363 PolarHBondContact N-O 3.05Å; F354-I363 PolarHBondContact O-N 2.9Å; I363-L372 HydrophobicContact CG2-CB 4.19Å; I363-L372 HydrophobicContact CG2-CD2 4.23Å; I363-Y373 CarbonylContact C-O 3.25Å; I363-Y373 VanDerWaalsContact CA-O 3.27Å; I363-Y373 WeakPolarHBondContact CA-O 3.25Å; I363-I374 HydrophobicContact CG1-CG1 4.33Å; I363-I374 HydrophobicContact CG1-CG2 4.49Å; I363-I374 HydrophobicContact CG2-CG1 4.33Å; I363-L401 HydrophobicContact CB-CD2 4.11Å; I363-L401 HydrophobicContact CD1-CD2 4.02Å; I363-L401 HydrophobicContact CG2-CD2 3.7Å; I363-I403 HydrophobicContact CD1-CD1 3.72Å; I363-I403 HydrophobicContact CD1-CG1 3.9Å; I363-I403 HydrophobicContact CG1-CD1 4.11Å; I363-L406 HydrophobicContact CD1-CD1 3.77Å; I363-L429 HydrophobicContact CD1-CD1 4.04Å; I363-L429 HydrophobicContact CD1-CD2 3.95Å |
| 364 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.4 | 173 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | L325 I341 L351 S352 L353 L372 Y373 F375 | L325-V364 HydrophobicContact CD1-CG2 3.78Å; I341-V364 HydrophobicContact CD1-CB 4.25Å; I341-V364 HydrophobicContact CD1-CG1 4.16Å; I341-V364 HydrophobicContact CD1-CG2 4.27Å; L351-V364 HydrophobicContact CB-CG1 3.47Å; L351-V364 VanDerWaalsContact CB-CG1 3.47Å; L351-V364 HydrophobicContact CD1-CG1 3.59Å; L351-V364 HydrophobicContact CG-CG1 4.1Å; S352-V364 CarbonylContact O-C 3.55Å; S352-V364 WeakPolarHBondContact O-CA 3.28Å; L353-V364 HydrophobicContact CD1-CG2 3.95Å; V364-L372 WeakPolarHBondContact O-CA 3.37Å; V364-Y373 HydrophobicContact CB-CD2 4.16Å; V364-Y373 HydrophobicContact CG1-CD2 4.3Å; V364-Y373 PolarHBondContact N-O 3.44Å; V364-Y373 PolarHBondContact O-N 3.42Å; V364-F375 HydrophobicContact CG2-CE2 4.27Å |
| 365 | S | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.3 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | S352 L371 I398 | S352-S365 PolarHBondContact N-O 2.9Å; S352-S365 VanDerWaalsContact N-O 3.14Å; S352-S365 PolarHBondContact O-N 3.2Å; S365-L371 WeakPolarHBondContact CA-O 3.3Å; S365-I398 PolarHBondContact OG-O 3.02Å |
| 366 | D | 90.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.011 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 105.8 | 166.8 | -167.9 | -43.5 | 0 | 0 | 0 | 109.9 | L351 Q368 L369 Q370 L371 Y373 | L351-D366 HydrophobicContact CD2-CB 3.63Å; L351-D366 WeakPolarHBondContact CD2-OD2 3.31Å; D366-Q368 VanDerWaalsContact C-N 3.26Å; D366-Q368 PolarHBondContact O-N 2.81Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.11Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.04Å; D366-Q368 PolarHBondContact OD1-N 2.63Å; D366-L369 HydrophobicContact CB-CB 4.25Å; D366-L369 PolarHBondContact OD1-N 2.75Å; D366-Q370 VanDerWaalsContact O-CA 3.28Å; D366-Q370 WeakPolarHBondContact O-CA 3.47Å; D366-Q370 PolarHBondContact O-N 2.7Å; D366-L371 HydrophobicContact CB-CB 4.42Å; D366-L371 PolarHBondContact N-O 2.83Å; D366-L371 PolarHBondContact O-N 2.83Å; D366-L371 VanDerWaalsContact O-N 3.17Å; D366-Y373 HydrophobicContact CB-CE2 4.23Å |
| 367 | V | 88.2 | Confident | 90.4 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 4% | 0.042 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -15.6 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 112.9 | R58 C60 P397 I398 | R58-V367 HydrophobicContact CG-CG1 3.72Å; R58-V367 PolarHBondContact NE-O 3.4Å; R58-V367 PolarHBondContact NH2-O 3.3Å; C60-V367 WeakPolarHBondContact SG-CG2 3.43Å; V367-P397 HydrophobicContact CB-CB 4.36Å; V367-P397 HydrophobicContact CG1-CB 4.11Å; V367-P397 WeakPolarHBondContact O-CB 3.37Å; V367-I398 VanDerWaalsContact CG2-O 3.31Å; V367-I398 WeakPolarHBondContact CG2-O 3.27Å |
| 368 | Q | 84.7 | Confident | 90.8 | Very high | 97 Ų | 97 | 16.5 Ų | 16.5 | 45% | 0.453 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -53.2 | 176.4 | -79.7 | 165.1 | -112.2 | 0 | 0 | 110.8 | R58 E346 T347 D366 Q370 | R58-Q368 PolarHBondContact NH2-O 3.11Å; E346-Q368 PolarHBondContact O-NE2 2.71Å; T347-Q368 HydrophobicContact CG2-CB 4.47Å; D366-Q368 VanDerWaalsContact C-N 3.26Å; D366-Q368 PolarHBondContact O-N 2.81Å; D366-Q368 WeakPolarHBondContact OD1-CA 3.11Å; D366-Q368 WeakPolarHBondContact OD1-CB 3.04Å; D366-Q368 PolarHBondContact OD1-N 2.63Å; Q368-Q370 VanDerWaalsContact C-N 3.3Å; Q368-Q370 PolarHBondContact O-N 2.86Å |
| 369 | L | 83.6 | Confident | 91 | Very high | 31 Ų | 31 | 18.2 Ų | 18.2 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15 | 177.1 | -60.3 | -178.7 | 0 | 0 | 0 | 114 | A36 T347 D366 L371 | A36-L369 HydrophobicContact CB-CD2 4.39Å; T347-L369 HydrophobicContact CG2-CD1 3.96Å; T347-L369 HydrophobicContact CG2-CD2 3.72Å; T347-L369 HydrophobicContact CG2-CG 3.61Å; D366-L369 HydrophobicContact CB-CB 4.25Å; D366-L369 PolarHBondContact OD1-N 2.75Å; L369-L371 HydrophobicContact CB-CB 4.48Å; L369-L371 HydrophobicContact CB-CD1 3.74Å; L369-L371 HydrophobicContact CB-CG 3.75Å; L369-L371 HydrophobicContact CD1-CD1 3.84Å; L369-L371 HydrophobicContact CG-CD1 4.46Å |
| 370 | Q | 88.1 | Confident | 90.8 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 7% | 0.07 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 44.8 | -175.2 | -42.8 | 180 | -131.3 | 0 | 0 | 112.1 | P39 D366 Q368 L394 F395 P397 | P39-Q370 HydrophobicContact CG-CB 4.3Å; D366-Q370 VanDerWaalsContact O-CA 3.28Å; D366-Q370 WeakPolarHBondContact O-CA 3.47Å; D366-Q370 PolarHBondContact O-N 2.7Å; Q368-Q370 VanDerWaalsContact C-N 3.3Å; Q368-Q370 PolarHBondContact O-N 2.86Å; Q370-L394 HydrophobicContact CB-CB 4.41Å; Q370-L394 WeakPolarHBondContact CB-O 3.32Å; Q370-L394 PolarHBondContact NE2-O 3.06Å; Q370-L394 VanDerWaalsContact NE2-O 3.09Å; Q370-L394 WeakPolarHBondContact O-CB 3.49Å; Q370-L394 PolarHBondContact O-N 3.49Å; Q370-F395 PolarHBondContact NE2-O 3.35Å; Q370-P397 HydrophobicContact CG-CB 4.17Å |
| 371 | L | 88.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.9 | -177.4 | -60.5 | 177.4 | 0 | 0 | 0 | 111.8 | L33 S365 D366 L369 Y373 Y391 V392 C393 | L33-L371 HydrophobicContact CD2-CD1 3.56Å; S365-L371 WeakPolarHBondContact CA-O 3.3Å; D366-L371 HydrophobicContact CB-CB 4.42Å; D366-L371 PolarHBondContact N-O 2.83Å; D366-L371 PolarHBondContact O-N 2.83Å; D366-L371 VanDerWaalsContact O-N 3.17Å; L369-L371 HydrophobicContact CB-CB 4.48Å; L369-L371 HydrophobicContact CB-CD1 3.74Å; L369-L371 HydrophobicContact CB-CG 3.75Å; L369-L371 HydrophobicContact CD1-CD1 3.84Å; L369-L371 HydrophobicContact CG-CD1 4.46Å; L371-Y373 HydrophobicContact CD1-CE1 4.22Å; L371-Y391 HydrophobicContact CD2-CD2 4.4Å; L371-V392 VanDerWaalsContact CA-O 3.32Å; L371-V392 WeakPolarHBondContact CA-O 3.45Å; L371-C393 HydrophobicContact CD2-CB 4.35Å |
| 372 | L | 91.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.6 | 156.7 | -57.2 | 174.2 | 0 | 0 | 0 | 108.4 | I363 V364 Y391 V392 L394 I398 L429 | I363-L372 HydrophobicContact CG2-CB 4.19Å; I363-L372 HydrophobicContact CG2-CD2 4.23Å; V364-L372 WeakPolarHBondContact O-CA 3.37Å; L372-Y391 CarbonylContact O-C 3.59Å; L372-Y391 WeakPolarHBondContact O-CA 3.35Å; L372-Y391 WeakPolarHBondContact O-CB 3.43Å; L372-V392 HydrophobicContact CB-CB 4.27Å; L372-V392 PolarHBondContact N-O 3Å; L372-V392 PolarHBondContact O-N 3.09Å; L372-L394 HydrophobicContact CD1-CD1 4.2Å; L372-L394 HydrophobicContact CD2-CD1 4.35Å; L372-L394 HydrophobicContact CG-CD1 3.82Å; L372-I398 HydrophobicContact CD2-CB 4.44Å; L372-L429 HydrophobicContact CD1-CD1 4.34Å |
| 373 | Y | 92.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 129.9 | 165.8 | -54 | -74.8 | 0 | 0 | 0 | 108.3 | I341 I363 V364 D366 L371 F389 | I341-Y373 HydrophobicContact CD1-CD2 3.92Å; I341-Y373 HydrophobicContact CD1-CE2 4.34Å; I341-Y373 HydrophobicContact CD1-CG 4.23Å; I341-Y373 HydrophobicContact CG2-CE2 4Å; I363-Y373 CarbonylContact C-O 3.25Å; I363-Y373 VanDerWaalsContact CA-O 3.27Å; I363-Y373 WeakPolarHBondContact CA-O 3.25Å; V364-Y373 HydrophobicContact CB-CD2 4.16Å; V364-Y373 HydrophobicContact CG1-CD2 4.3Å; V364-Y373 PolarHBondContact N-O 3.44Å; V364-Y373 PolarHBondContact O-N 3.42Å; D366-Y373 HydrophobicContact CB-CE2 4.23Å; L371-Y373 HydrophobicContact CD1-CE1 4.22Å; Y373-F389 AromaticContact CD1-CE2 3.82Å; Y373-F389 HydrophobicContact CD1-CE2 3.82Å; Y373-F389 AromaticContact CD1-CZ 4Å; Y373-F389 HydrophobicContact CD1-CZ 4Å; Y373-F389 HydrophobicContact CG-CE2 4.41Å |
| 374 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.4 | -175.5 | -57 | 174.8 | 0 | 0 | 0 | 108 | F361 I363 F389 A390 V392 L442 I444 | F361-I374 HydrophobicContact CD1-CG2 4.24Å; I363-I374 HydrophobicContact CG1-CG1 4.33Å; I363-I374 HydrophobicContact CG1-CG2 4.49Å; I363-I374 HydrophobicContact CG2-CG1 4.33Å; I374-F389 CarbonylContact O-C 3.59Å; I374-F389 WeakPolarHBondContact O-CA 3.5Å; I374-A390 PolarHBondContact N-O 3.32Å; I374-A390 PolarHBondContact O-N 2.79Å; I374-V392 HydrophobicContact CD1-CG2 4.12Å; I374-L442 HydrophobicContact CD1-CD1 3.76Å; I374-I444 HydrophobicContact CD1-CD1 3.72Å |
| 375 | F | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.8 | 179.8 | -60.5 | -88.6 | 0 | 0 | 0 | 110.3 | I24 V31 L325 V339 I341 F361 A362 V364 F386 F389 | I24-F375 HydrophobicContact CD1-CD1 4.26Å; V31-F375 HydrophobicContact CG2-CE1 4.14Å; V31-F375 HydrophobicContact CG2-CZ 4.28Å; L325-F375 HydrophobicContact CD1-CD2 4.35Å; L325-F375 HydrophobicContact CD1-CE2 4.19Å; V339-F375 HydrophobicContact CB-CE1 4.35Å; V339-F375 HydrophobicContact CG1-CD1 4.49Å; V339-F375 HydrophobicContact CG1-CE1 3.61Å; V339-F375 HydrophobicContact CG1-CE2 4.47Å; V339-F375 HydrophobicContact CG1-CZ 3.61Å; V339-F375 HydrophobicContact CG2-CD1 4.2Å; V339-F375 HydrophobicContact CG2-CE1 3.9Å; I341-F375 HydrophobicContact CD1-CE2 4.2Å; I341-F375 HydrophobicContact CD1-CZ 4.17Å; F361-F375 WeakPolarHBondContact CA-O 3.49Å; A362-F375 HydrophobicContact CB-CB 4.48Å; A362-F375 PolarHBondContact N-O 3.33Å; A362-F375 PolarHBondContact O-N 3.46Å; V364-F375 HydrophobicContact CG2-CE2 4.27Å; F375-F386 HydrophobicContact CB-CD1 3.82Å; F375-F386 HydrophobicContact CB-CE1 4.01Å; F375-F386 HydrophobicContact CD1-CD1 4.37Å; F375-F386 HydrophobicContact CG-CD1 4.35Å; F375-F386 HydrophobicContact CG-CE1 4.43Å; F375-F389 HydrophobicContact CD1-CB 4.23Å; F375-F389 AromaticContact CD1-CD2 3.83Å; F375-F389 HydrophobicContact CD1-CD2 3.83Å; F375-F389 HydrophobicContact CE1-CB 4.34Å; F375-F389 AromaticContact CE1-CD2 3.36Å; F375-F389 HydrophobicContact CE1-CD2 3.36Å; F375-F389 HydrophobicContact CE1-CE2 4.05Å; F375-F389 HydrophobicContact CE1-CG 4.22Å; F375-F389 HydrophobicContact CE2-CD2 4.37Å; F375-F389 AromaticContact CZ-CD2 3.66Å; F375-F389 HydrophobicContact CZ-CD2 3.66Å; F375-F389 AromaticContact CZ-CE2 3.9Å; F375-F389 HydrophobicContact CZ-CE2 3.9Å |
| 376 | E | 94.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133.1 | 169.7 | -168.8 | -172.2 | 115.9 | 0 | 0 | 109.3 | F361 F386 C387 H388 I408 K446 | F361-E376 HydrophobicContact CD1-CB 4.49Å; F361-E376 HydrophobicContact CE1-CB 4.22Å; F361-E376 HydrophobicContact CE1-CG 4.16Å; E376-F386 WeakPolarHBondContact O-CA 3.36Å; E376-C387 VanDerWaalsContact C-SG 3.6Å; E376-C387 VanDerWaalsContact CD-SG 3.57Å; E376-C387 WeakPolarHBondContact CG-SG 3.28Å; E376-C387 PolarHBondContact O-N 2.99Å; E376-C387 VanDerWaalsContact O-N 3.11Å; E376-C387 PolarHBondContact O-SG 3.07Å; E376-C387 PolarHBondContact OE1-SG 2.92Å; E376-H388 HydrophobicContact CB-CB 3.72Å; E376-H388 HydrophobicContact CG-CB 4.47Å; E376-H388 PolarHBondContact N-O 2.9Å; E376-I408 HydrophobicContact CG-CD1 4.33Å; E376-K446 VanDerWaalsContact CD-NZ 3.3Å; E376-K446 IonicContact OE1-NZ 2.98Å; E376-K446 PolarHBondContact OE1-NZ 2.93Å; E376-K446 VanDerWaalsContact OE1-NZ 3.12Å; E376-K446 WeakPolarHBondContact OE2-CE 3.21Å; E376-K446 IonicContact OE2-NZ 2.75Å; E376-K446 PolarHBondContact OE2-NZ 3.32Å |
| 377 | I | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 115.6 | 179.2 | -57.8 | 176.6 | 0 | 0 | 0 | 108.7 | L295 L327 H360 A362 F386 | L295-I377 HydrophobicContact CD2-CD1 4.24Å; L327-I377 HydrophobicContact CD1-CG2 4.34Å; L327-I377 HydrophobicContact CD2-CD1 4.28Å; H360-I377 PolarHBondContact ND1-O 3.22Å; H360-I377 PolarHBondContact O-N 3.08Å; A362-I377 HydrophobicContact CB-CD1 3.95Å; I377-F386 HydrophobicContact CD1-CE1 3.99Å; I377-F386 HydrophobicContact CG1-CD1 3.88Å; I377-F386 HydrophobicContact CG1-CE1 3.85Å |
| 378 | I | 89.9 | Confident | 89.1 | Confident | 57 Ų | 57 | 37.8 Ų | 37.8 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.5 | 170.6 | -77.4 | 174 | 0 | 0 | 0 | 108.9 | K380 R385 C387 | I378-K380 HydrophobicContact CG2-CD 3.98Å; I378-K380 HydrophobicContact CG2-CG 3.72Å; I378-R385 PolarHBondContact N-O 3.34Å; I378-R385 VanDerWaalsContact N-O 3.08Å; I378-R385 PolarHBondContact O-N 3.31Å; I378-C387 HydrophobicContact CB-CB 4.45Å; I378-C387 HydrophobicContact CD1-CB 4.06Å; I378-C387 VanDerWaalsContact CD1-SG 3.55Å; I378-C387 HydrophobicContact CG1-CB 4.42Å; I378-C387 WeakPolarHBondContact CG1-SG 3.34Å |
| 379 | V | 86.7 | Confident | 89.5 | Confident | 60 Ų | 60 | 33.1 Ų | 33.1 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.6 | 169.1 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | T314 P384 | T314-V379 HydrophobicContact CG2-CG1 4.03Å; V379-P384 HydrophobicContact CG2-CB 4.09Å |
| 380 | K | 82.2 | Confident | 89.8 | Confident | 159 Ų | 159 | 31.7 Ų | 31.7 | 69% | 0.691 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.9 | 172.9 | -78.4 | 177.7 | 178.5 | -178.1 | 0 | 108.8 | I378 A382 K383 | I378-K380 HydrophobicContact CG2-CD 3.98Å; I378-K380 HydrophobicContact CG2-CG 3.72Å; K380-A382 PolarHBondContact O-N 3.28Å; K380-K383 PolarHBondContact N-O 3.2Å; K380-K383 VanDerWaalsContact N-O 3.14Å; K380-K383 PolarHBondContact O-N 3.48Å |
| 381 | A | 80.8 | Confident | 89.9 | Confident | 99 Ų | 99 | 31 Ų | 31 | 82% | 0.818 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 58.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K383 | A381-K383 PolarHBondContact O-N 2.87Š|
| 382 | A | 78 | Confident | 90 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 12 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T314 K380 P384 | T314-A382 WeakPolarHBondContact CG2-O 3.27Å; K380-A382 PolarHBondContact O-N 3.28Å; A382-P384 WeakPolarHBondContact O-CD 3.43Å |
| 383 | K | 85.6 | Confident | 89.7 | Confident | 115 Ų | 115 | 30.9 Ų | 30.9 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.4 | 176.4 | -69.6 | 173.9 | -177 | 174.1 | 0 | 110.3 | E329 T336 K380 A381 | E329-K383 WeakPolarHBondContact OE1-CE 3.29Å; T336-K383 HydrophobicContact CG2-CB 4.32Å; T336-K383 HydrophobicContact CG2-CG 4.29Å; K380-K383 PolarHBondContact N-O 3.2Å; K380-K383 VanDerWaalsContact N-O 3.14Å; K380-K383 PolarHBondContact O-N 3.48Å; A381-K383 PolarHBondContact O-N 2.87Å |
| 384 | P | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 139.3 | 177.9 | 32.5 | -34.7 | 0 | 0 | 0 | 110.1 | L295 T314 L327 W328 T336 V379 A382 | L295-P384 HydrophobicContact CD1-CB 4.15Å; T314-P384 HydrophobicContact CG2-CG 4.07Å; L327-P384 HydrophobicContact CB-CB 4.15Å; L327-P384 HydrophobicContact CB-CG 3.88Å; L327-P384 HydrophobicContact CD1-CB 4.22Å; W328-P384 WeakPolarHBondContact O-CG 3.48Å; T336-P384 VanDerWaalsContact CB-O 3.31Å; T336-P384 WeakPolarHBondContact CB-O 3.49Å; T336-P384 WeakPolarHBondContact OG1-CG 3.24Å; T336-P384 PolarHBondContact OG1-O 3.16Å; V379-P384 HydrophobicContact CG2-CB 4.09Å; A382-P384 WeakPolarHBondContact O-CD 3.43Å |
| 385 | R | 93.1 | Very high | 88.8 | Confident | 90 Ų | 90 | 36 Ų | 36 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.2 | 177.5 | -158.7 | -176.5 | 78.5 | 84.3 | -3.5 | 110.6 | I24 S25 I378 C387 | I24-R385 VanDerWaalsContact O-CZ 3.25Å; I24-R385 PolarHBondContact O-NH1 2.79Å; I24-R385 PolarHBondContact O-NH2 2.93Å; S25-R385 PolarHBondContact O-NH1 3.49Å; I378-R385 PolarHBondContact N-O 3.34Å; I378-R385 VanDerWaalsContact N-O 3.08Å; I378-R385 PolarHBondContact O-N 3.31Å; R385-C387 PolarHBondContact O-N 2.81Å |
| 386 | F | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 118.7 | 162.5 | -62.3 | -63.6 | 0 | 0 | 0 | 108.5 | I24 I316 L325 L327 V339 F375 E376 I377 | I24-F386 HydrophobicContact CD1-CB 3.81Å; I24-F386 WeakPolarHBondContact CG2-O 3.34Å; I316-F386 HydrophobicContact CD1-CZ 4.22Å; L325-F386 HydrophobicContact CB-CE2 4.34Å; L325-F386 HydrophobicContact CB-CZ 3.99Å; L325-F386 WeakPolarHBondContact O-CE2 3.39Å; L327-F386 HydrophobicContact CD1-CD1 3.95Å; L327-F386 HydrophobicContact CD1-CD2 3.69Å; L327-F386 HydrophobicContact CD1-CE1 3.96Å; L327-F386 HydrophobicContact CD1-CE2 3.71Å; L327-F386 HydrophobicContact CD1-CG 3.82Å; L327-F386 HydrophobicContact CD1-CZ 3.85Å; L327-F386 HydrophobicContact CD2-CE1 4.09Å; L327-F386 HydrophobicContact CD2-CE2 4.12Å; L327-F386 HydrophobicContact CD2-CZ 3.68Å; L327-F386 HydrophobicContact CG-CD2 4.03Å; L327-F386 HydrophobicContact CG-CE1 4.21Å; L327-F386 HydrophobicContact CG-CE2 3.54Å; L327-F386 HydrophobicContact CG-CZ 3.64Å; V339-F386 HydrophobicContact CB-CD2 4.18Å; V339-F386 HydrophobicContact CB-CE2 3.96Å; V339-F386 HydrophobicContact CG2-CB 4.44Å; V339-F386 HydrophobicContact CG2-CD2 3.46Å; V339-F386 VanDerWaalsContact CG2-CD2 3.46Å; V339-F386 HydrophobicContact CG2-CE2 3.77Å; V339-F386 HydrophobicContact CG2-CG 3.98Å; F375-F386 HydrophobicContact CB-CD1 3.82Å; F375-F386 HydrophobicContact CB-CE1 4.01Å; F375-F386 HydrophobicContact CD1-CD1 4.37Å; F375-F386 HydrophobicContact CG-CD1 4.35Å; F375-F386 HydrophobicContact CG-CE1 4.43Å; E376-F386 WeakPolarHBondContact O-CA 3.36Å; I377-F386 HydrophobicContact CD1-CE1 3.99Å; I377-F386 HydrophobicContact CG1-CD1 3.88Å; I377-F386 HydrophobicContact CG1-CE1 3.85Å |
| 387 | C | 91.5 | Very high | 87.9 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -29.3 | -174.9 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | I24 E376 I378 R385 | I24-C387 PolarHBondContact N-O 3.32Å; E376-C387 VanDerWaalsContact C-SG 3.6Å; E376-C387 VanDerWaalsContact CD-SG 3.57Å; E376-C387 WeakPolarHBondContact CG-SG 3.28Å; E376-C387 PolarHBondContact O-N 2.99Å; E376-C387 VanDerWaalsContact O-N 3.11Å; E376-C387 PolarHBondContact O-SG 3.07Å; E376-C387 PolarHBondContact OE1-SG 2.92Å; I378-C387 HydrophobicContact CB-CB 4.45Å; I378-C387 HydrophobicContact CD1-CB 4.06Å; I378-C387 VanDerWaalsContact CD1-SG 3.55Å; I378-C387 HydrophobicContact CG1-CB 4.42Å; I378-C387 WeakPolarHBondContact CG1-SG 3.34Å; R385-C387 PolarHBondContact O-N 2.81Å |
| 388 | H | 91.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.8 | -179.5 | -165.7 | 84.4 | 0 | 0 | 0 | 110.9 | S21 K22 E376 K446 A447 | S21-H388 PolarHBondContact OG-CE1 2.86Å; S21-H388 PolarHBondContact OG-NE2 2.83Å; K22-H388 VanDerWaalsContact C-CE1 3.48Å; K22-H388 PolarHBondContact O-CE1 2.99Å; K22-H388 PolarHBondContact O-ND1 3.45Å; E376-H388 HydrophobicContact CB-CB 3.72Å; E376-H388 HydrophobicContact CG-CB 4.47Å; E376-H388 PolarHBondContact N-O 2.9Å; H388-K446 WeakPolarHBondContact CE1-CG 3.27Å; H388-K446 WeakPolarHBondContact ND1-CG 3.38Å; H388-A447 PolarHBondContact CE1-O 3.36Å |
| 389 | F | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138 | 176.7 | 160.1 | -91.2 | 0 | 0 | 0 | 110.7 | M11 L13 S21 K22 I24 V31 Y373 I374 F375 Y391 | M11-F389 HydrophobicContact SD-CD1 4.06Å; L13-F389 HydrophobicContact CD1-CD1 4.37Å; L13-F389 HydrophobicContact CD1-CE1 3.34Å; L13-F389 HydrophobicContact CD1-CZ 3.62Å; L13-F389 HydrophobicContact CD2-CE1 4.02Å; L13-F389 HydrophobicContact CG-CE1 4.32Å; S21-F389 CarbonylContact C-O 3.6Å; S21-F389 WeakPolarHBondContact CA-O 3.37Å; K22-F389 PolarHBondContact N-O 2.83Å; K22-F389 PolarHBondContact O-N 3.29Å; K22-F389 VanDerWaalsContact O-O 3.12Å; I24-F389 HydrophobicContact CD1-CB 3.79Å; I24-F389 HydrophobicContact CG1-CB 4.11Å; V31-F389 HydrophobicContact CG1-CE1 4.32Å; V31-F389 HydrophobicContact CG1-CE2 3.82Å; V31-F389 HydrophobicContact CG1-CZ 3.62Å; V31-F389 HydrophobicContact CG2-CE2 4.47Å; Y373-F389 AromaticContact CD1-CE2 3.82Å; Y373-F389 HydrophobicContact CD1-CE2 3.82Å; Y373-F389 AromaticContact CD1-CZ 4Å; Y373-F389 HydrophobicContact CD1-CZ 4Å; Y373-F389 HydrophobicContact CG-CE2 4.41Å; I374-F389 CarbonylContact O-C 3.59Å; I374-F389 WeakPolarHBondContact O-CA 3.5Å; F375-F389 HydrophobicContact CD1-CB 4.23Å; F375-F389 AromaticContact CD1-CD2 3.83Å; F375-F389 HydrophobicContact CD1-CD2 3.83Å; F375-F389 HydrophobicContact CE1-CB 4.34Å; F375-F389 AromaticContact CE1-CD2 3.36Å; F375-F389 HydrophobicContact CE1-CD2 3.36Å; F375-F389 HydrophobicContact CE1-CE2 4.05Å; F375-F389 HydrophobicContact CE1-CG 4.22Å; F375-F389 HydrophobicContact CE2-CD2 4.37Å; F375-F389 AromaticContact CZ-CD2 3.66Å; F375-F389 HydrophobicContact CZ-CD2 3.66Å; F375-F389 AromaticContact CZ-CE2 3.9Å; F375-F389 HydrophobicContact CZ-CE2 3.9Å; F389-Y391 AromaticContact CE1-CD1 3.89Å; F389-Y391 HydrophobicContact CE1-CD1 3.89Å; F389-Y391 AromaticContact CZ-CD1 3.88Å; F389-Y391 HydrophobicContact CZ-CD1 3.88Å; F389-Y391 HydrophobicContact CZ-CG 4.42Å |
| 390 | A | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 163.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A20 I374 I444 | A20-A390 WeakPolarHBondContact O-CA 3.43Å; I374-A390 PolarHBondContact N-O 3.32Å; I374-A390 PolarHBondContact O-N 2.79Å; A390-I444 HydrophobicContact CB-CD1 4.5Å; A390-I444 HydrophobicContact CB-CG2 3.93Å |
| 391 | Y | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 157.1 | 164.9 | 72.5 | -93 | 0 | 0 | 0 | 112.9 | L13 E14 D16 G19 A20 L33 L371 L372 F389 | L13-Y391 HydrophobicContact CB-CE1 4.39Å; L13-Y391 HydrophobicContact CD1-CD1 4.35Å; L13-Y391 HydrophobicContact CD1-CE1 4.36Å; L13-Y391 HydrophobicContact CD2-CE1 4.24Å; E14-Y391 PolarHBondContact O-OH 2.89Å; D16-Y391 PolarHBondContact N-OH 3.43Å; G19-Y391 WeakPolarHBondContact CA-O 3.3Å; A20-Y391 HydrophobicContact CB-CE1 3.77Å; A20-Y391 PolarHBondContact O-N 3.28Å; A20-Y391 VanDerWaalsContact O-N 3.08Å; L33-Y391 HydrophobicContact CD1-CD1 4.14Å; L33-Y391 HydrophobicContact CD1-CE1 3.91Å; L371-Y391 HydrophobicContact CD2-CD2 4.4Å; L372-Y391 CarbonylContact O-C 3.59Å; L372-Y391 WeakPolarHBondContact O-CA 3.35Å; L372-Y391 WeakPolarHBondContact O-CB 3.43Å; F389-Y391 AromaticContact CE1-CD1 3.89Å; F389-Y391 HydrophobicContact CE1-CD1 3.89Å; F389-Y391 AromaticContact CZ-CD1 3.88Å; F389-Y391 HydrophobicContact CZ-CD1 3.88Å; F389-Y391 HydrophobicContact CZ-CG 4.42Å |
| 392 | V | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.1 | -179 | 168.7 | 0 | 0 | 0 | 0 | 109.4 | C43 V46 L371 L372 I374 L394 L442 I444 | C43-V392 HydrophobicContact CB-CG1 4.12Å; V46-V392 HydrophobicContact CB-CG1 4.39Å; V46-V392 HydrophobicContact CG2-CB 4.38Å; V46-V392 HydrophobicContact CG2-CG1 3.48Å; V46-V392 VanDerWaalsContact CG2-CG1 3.48Å; V46-V392 HydrophobicContact CG2-CG2 3.93Å; L371-V392 VanDerWaalsContact CA-O 3.32Å; L371-V392 WeakPolarHBondContact CA-O 3.45Å; L372-V392 HydrophobicContact CB-CB 4.27Å; L372-V392 PolarHBondContact N-O 3Å; L372-V392 PolarHBondContact O-N 3.09Å; I374-V392 HydrophobicContact CD1-CG2 4.12Å; V392-L394 HydrophobicContact CG1-CD2 3.65Å; V392-L394 HydrophobicContact CG1-CG 4.06Å; V392-L442 HydrophobicContact CG2-CD2 4.47Å; V392-I444 HydrophobicContact CG2-CD1 3.57Å |
| 393 | C | 86.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.6 | 169 | -63 | 0 | 0 | 0 | 0 | 110.8 | Y15 D16 P39 C43 L371 | Y15-C393 WeakPolarHBondContact CE2-SG 3.48Å; D16-C393 PolarHBondContact O-SG 2.9Å; D16-C393 VanDerWaalsContact O-SG 3.39Å; P39-C393 HydrophobicContact CB-CB 4.39Å; P39-C393 HydrophobicContact CG-CB 4.12Å; C43-C393 HydrophobicContact CB-CB 4.41Å; C43-C393 WeakPolarHBondContact CB-O 3.46Å; C43-C393 PolarHBondContact N-O 2.89Å; L371-C393 HydrophobicContact CD2-CB 4.35Å |
| 394 | L | 86 | Confident | 90.3 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | trans | -120.7 | 135.5 | -176.2 | -58.5 | 167.7 | 0 | 0 | 0 | 112.2 | P39 Q370 L372 V392 Q396 I398 | P39-L394 WeakPolarHBondContact CG-O 3.44Å; Q370-L394 HydrophobicContact CB-CB 4.41Å; Q370-L394 WeakPolarHBondContact CB-O 3.32Å; Q370-L394 PolarHBondContact NE2-O 3.06Å; Q370-L394 VanDerWaalsContact NE2-O 3.09Å; Q370-L394 WeakPolarHBondContact O-CB 3.49Å; Q370-L394 PolarHBondContact O-N 3.49Å; L372-L394 HydrophobicContact CD1-CD1 4.2Å; L372-L394 HydrophobicContact CD2-CD1 4.35Å; L372-L394 HydrophobicContact CG-CD1 3.82Å; V392-L394 HydrophobicContact CG1-CD2 3.65Å; V392-L394 HydrophobicContact CG1-CG 4.06Å; L394-Q396 VanDerWaalsContact C-N 3.25Å; L394-Q396 WeakPolarHBondContact CB-O 3.42Å; L394-Q396 PolarHBondContact O-N 3.42Å; L394-I398 HydrophobicContact CD1-CB 4.43Å; L394-I398 HydrophobicContact CD1-CG1 3.77Å | ||
| 395 | F | 81.8 | Confident | 90.2 | Very high | 112 Ų | 112 | 20 Ų | 20 | 49% | 0.491 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -67.2 | -25 | 174.4 | -178.7 | -115 | 0 | 0 | 0 | 113 | D42 Q370 | D42-F395 HydrophobicContact CB-CB 4.41Å; D42-F395 VanDerWaalsContact OD1-CB 3.28Å; D42-F395 WeakPolarHBondContact OD1-CB 3.25Å; D42-F395 PolarHBondContact OD1-N 3.21Å; D42-F395 WeakPolarHBondContact OD2-CB 3.38Å; Q370-F395 PolarHBondContact NE2-O 3.35Å |
| 396 | Q | 83.6 | Confident | 89.9 | Confident | 55 Ų | 55 | 15.8 Ų | 15.8 | 26% | 0.257 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -133.8 | 141.2 | 170.5 | -65.4 | -170.3 | 44.5 | 0 | 0 | 111.1 | L394 N433 | L394-Q396 VanDerWaalsContact C-N 3.25Å; L394-Q396 WeakPolarHBondContact CB-O 3.42Å; L394-Q396 PolarHBondContact O-N 3.42Å; Q396-N433 HydrophobicContact CB-CB 4.19Å; Q396-N433 PolarHBondContact OE1-ND2 2.97Å; Q396-N433 PolarHBondContact OE1-OD1 3.3Å |
| 397 | P | 87.2 | Confident | 89.7 | Confident | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.032 | 10% | 0.097 | C | C | . | . | trans | -72.2 | 139.4 | -175.3 | 29.7 | -34.8 | 0 | 0 | 0 | 111.8 | R58 V367 Q370 N433 P434 | R58-P397 HydrophobicContact CG-CG 3.91Å; V367-P397 HydrophobicContact CB-CB 4.36Å; V367-P397 HydrophobicContact CG1-CB 4.11Å; V367-P397 WeakPolarHBondContact O-CB 3.37Å; Q370-P397 HydrophobicContact CG-CB 4.17Å; P397-N433 WeakPolarHBondContact O-CA 3.33Å; P397-N433 VanDerWaalsContact O-CB 3.27Å; P397-N433 WeakPolarHBondContact O-CB 3.49Å; P397-P434 HydrophobicContact CG-CG 3.96Å; P397-P434 WeakPolarHBondContact O-CD 3.2Å | ||
| 398 | I | 90.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | trans | -88.8 | 110.8 | 171.2 | -61.5 | -55.6 | 0 | 0 | 0 | 109.8 | S365 V367 L372 L394 S400 L401 I432 N433 L440 | S365-I398 PolarHBondContact OG-O 3.02Å; V367-I398 VanDerWaalsContact CG2-O 3.31Å; V367-I398 WeakPolarHBondContact CG2-O 3.27Å; L372-I398 HydrophobicContact CD2-CB 4.44Å; L394-I398 HydrophobicContact CD1-CB 4.43Å; L394-I398 HydrophobicContact CD1-CG1 3.77Å; I398-S400 VanDerWaalsContact CG2-O 3.25Å; I398-S400 WeakPolarHBondContact CG2-O 3.12Å; I398-L401 HydrophobicContact CG2-CB 3.99Å; I398-I432 CarbonylContact C-O 3.45Å; I398-I432 WeakPolarHBondContact CA-O 3.29Å; I398-N433 HydrophobicContact CD1-CB 4.13Å; I398-L440 HydrophobicContact CD1-CD1 4.04Å; I398-L440 HydrophobicContact CG1-CD1 4.04Å | ||
| 399 | I | 90.3 | Very high | 89 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -74.2 | -40.2 | -179.3 | -66.1 | 159.5 | 0 | 0 | 0 | 111.7 | W56 E57 K59 Q61 I432 P434 | W56-I399 HydrophobicContact CB-CD1 3.78Å; E57-I399 VanDerWaalsContact O-CD1 3.28Å; E57-I399 WeakPolarHBondContact O-CD1 3.29Å; K59-I399 WeakPolarHBondContact O-CG2 3.4Å; Q61-I399 HydrophobicContact CG-CG2 3.81Å; I399-I432 HydrophobicContact CB-CG2 4.41Å; I399-I432 HydrophobicContact CD1-CG2 4.47Å; I399-I432 PolarHBondContact N-O 2.98Å; I399-P434 HydrophobicContact CD1-CB 4.37Å; I399-P434 HydrophobicContact CD1-CG 3.98Å |
| 400 | S | 93.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 144.6 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | L65 I398 G431 I432 | L65-S400 PolarHBondContact N-OG 3.22Å; I398-S400 VanDerWaalsContact CG2-O 3.25Å; I398-S400 WeakPolarHBondContact CG2-O 3.12Å; S400-G431 WeakPolarHBondContact O-CA 3.19Å; S400-I432 PolarHBondContact O-N 2.93Å |
| 401 | L | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.4 | -171.6 | 166.7 | 63.4 | 0 | 0 | 0 | 109.4 | F354 I363 I398 L429 I430 | F354-L401 HydrophobicContact CB-CD2 4.28Å; F354-L401 HydrophobicContact CD1-CB 3.86Å; F354-L401 HydrophobicContact CD1-CG 4.31Å; F354-L401 WeakPolarHBondContact CD1-O 3.38Å; F354-L401 HydrophobicContact CD2-CB 3.92Å; F354-L401 HydrophobicContact CD2-CD2 3.75Å; F354-L401 HydrophobicContact CD2-CG 4.2Å; F354-L401 HydrophobicContact CE1-CB 3.77Å; F354-L401 VanDerWaalsContact CE1-N 3.34Å; F354-L401 WeakPolarHBondContact CE1-O 3.47Å; F354-L401 HydrophobicContact CE2-CB 3.8Å; F354-L401 HydrophobicContact CE2-CD2 4.29Å; F354-L401 HydrophobicContact CG-CB 3.95Å; F354-L401 HydrophobicContact CG-CD2 3.98Å; F354-L401 HydrophobicContact CG-CG 4.07Å; F354-L401 HydrophobicContact CZ-CB 3.74Å; I363-L401 HydrophobicContact CB-CD2 4.11Å; I363-L401 HydrophobicContact CD1-CD2 4.02Å; I363-L401 HydrophobicContact CG2-CD2 3.7Å; I398-L401 HydrophobicContact CG2-CB 3.99Å; L401-L429 HydrophobicContact CD1-CB 3.67Å; L401-L429 HydrophobicContact CD1-CD1 3.87Å; L401-L429 HydrophobicContact CD1-CD2 4.18Å; L401-L429 HydrophobicContact CD1-CG 4.12Å; L401-L429 HydrophobicContact CD2-CD1 4.4Å; L401-I430 CarbonylContact C-O 3.53Å; L401-I430 WeakPolarHBondContact CA-O 3.29Å |
| 402 | D | 94.7 | Very high | 85.6 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 154.3 | 155.4 | -164.1 | 8.6 | 0 | 0 | 0 | 111 | S67 I68 I430 | S67-D402 VanDerWaalsContact CA-OD2 3.28Å; S67-D402 WeakPolarHBondContact CA-OD2 3.28Å; I68-D402 HydrophobicContact CD1-CB 3.99Å; I68-D402 HydrophobicContact CG1-CB 4.01Å; I68-D402 PolarHBondContact N-OD2 3.44Å; D402-I430 PolarHBondContact N-O 3.16Å; D402-I430 PolarHBondContact O-N 2.94Å |
| 403 | I | 93.5 | Very high | 83.8 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 108.3 | -168.4 | -58.6 | 169.7 | 0 | 0 | 0 | 109.3 | K72 F354 I363 L406 L429 | K72-I403 PolarHBondContact NZ-O 3.05Å; F354-I403 HydrophobicContact CB-CD1 4.48Å; I363-I403 HydrophobicContact CD1-CD1 3.72Å; I363-I403 HydrophobicContact CD1-CG1 3.9Å; I363-I403 HydrophobicContact CG1-CD1 4.11Å; I403-L406 HydrophobicContact CG2-CB 4.23Å; I403-L406 HydrophobicContact CG2-CD1 4.07Å; I403-L406 HydrophobicContact CG2-CG 4.27Å; I403-L429 HydrophobicContact CB-CD2 4.05Å; I403-L429 HydrophobicContact CG1-CD2 3.78Å; I403-L429 HydrophobicContact CG2-CD2 3.95Å |
| 404 | K | 89.9 | Confident | 82 | Confident | 44 Ų | 44 | 52.3 Ų | 52.3 | 19% | 0.191 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -61.3 | 176.9 | -173.2 | -178.6 | 166.8 | -71.7 | 0 | 109.3 | I68 K72 F428 | I68-K404 HydrophobicContact CD1-CB 3.9Å; K72-K404 HydrophobicContact CB-CG 4.08Å; K72-K404 HydrophobicContact CD-CG 4.34Å; K72-K404 WeakPolarHBondContact CD-O 3.4Å; K72-K404 WeakPolarHBondContact CE-O 3.38Å; K72-K404 PolarHBondContact NZ-O 3.14Å; K72-K404 WeakPolarHBondContact O-CE 3.48Å; K404-F428 WeakPolarHBondContact CA-O 3.29Å; K404-F428 HydrophobicContact CB-CB 4.14Å; K404-F428 VanDerWaalsContact CB-O 3.26Å; K404-F428 WeakPolarHBondContact CB-O 3.48Å; K404-F428 HydrophobicContact CD-CB 4.19Å; K404-F428 PolarHBondContact N-O 2.89Å |
| 405 | E | 88.1 | Confident | 80.3 | Confident | 49 Ų | 49 | 60 Ų | 60 | 23% | 0.229 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 152 | 166.7 | 62.6 | -98.2 | 116.3 | 0 | 0 | 110.9 | G427 F428 | E405-G427 CarbonylContact O-C 3.58Å; E405-G427 VanDerWaalsContact O-CA 3.22Å; E405-G427 WeakPolarHBondContact O-CA 3.3Å; E405-F428 HydrophobicContact CG-CD2 4.15Å; E405-F428 PolarHBondContact N-O 2.94Å; E405-F428 VanDerWaalsContact N-O 3.13Å; E405-F428 PolarHBondContact O-N 3Å; E405-F428 VanDerWaalsContact OE1-CB 3.32Å; E405-F428 WeakPolarHBondContact OE1-CB 3.37Å; E405-F428 WeakPolarHBondContact OE1-CD2 3.49Å; E405-F428 WeakPolarHBondContact OE1-CG 3.11Å |
| 406 | L | 88.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 129.9 | 174.6 | -102 | 174 | 0 | 0 | 0 | 108.5 | F361 I363 I403 I425 L429 L442 | F361-L406 HydrophobicContact CB-CD1 4.18Å; F361-L406 HydrophobicContact CD2-CB 3.67Å; F361-L406 HydrophobicContact CD2-CD1 4.41Å; F361-L406 HydrophobicContact CE2-CB 3.86Å; F361-L406 WeakPolarHBondContact CE2-O 3.34Å; F361-L406 HydrophobicContact CG-CB 4.24Å; F361-L406 HydrophobicContact CG-CD1 4.14Å; I363-L406 HydrophobicContact CD1-CD1 3.77Å; I403-L406 HydrophobicContact CG2-CB 4.23Å; I403-L406 HydrophobicContact CG2-CD1 4.07Å; I403-L406 HydrophobicContact CG2-CG 4.27Å; L406-I425 HydrophobicContact CD2-CG2 3.6Å; L406-L429 HydrophobicContact CD1-CD2 4.15Å; L406-L429 HydrophobicContact CG-CD2 4.45Å; L406-L442 HydrophobicContact CD2-CD1 4.18Å |
| 407 | H | 88.6 | Confident | 77.4 | Confident | 99 Ų | 99 | 63.9 Ų | 63.9 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 161.8 | -172.3 | -60.2 | -47 | 0 | 0 | 0 | 110.8 | I425 T426 | H407-I425 WeakPolarHBondContact O-CA 3.4Å; H407-T426 PolarHBondContact N-O 3.48Å; H407-T426 PolarHBondContact O-N 2.96Å |
| 408 | I | 86.1 | Confident | 75.8 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.1 | 165.6 | -57.1 | 168.9 | 0 | 0 | 0 | 106.2 | F361 E376 E423 A424 | F361-I408 HydrophobicContact CZ-CG1 4.15Å; E376-I408 HydrophobicContact CG-CD1 4.33Å; I408-E423 HydrophobicContact CG2-CB 4.07Å; I408-E423 HydrophobicContact CG2-CG 3.93Å; I408-E423 WeakPolarHBondContact CG2-OE2 3.34Å; I408-A424 WeakPolarHBondContact CA-O 3.37Å |
| 409 | T | 82.4 | Confident | 74 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.3 | 176.8 | 44.5 | 0 | 0 | 0 | 0 | 109.9 | E423 A424 T426 | T409-E423 CarbonylContact O-C 3.5Å; T409-E423 WeakPolarHBondContact O-CA 2.78Å; T409-A424 PolarHBondContact N-O 2.85Å; T409-A424 PolarHBondContact O-N 3.38Å; T409-A424 PolarHBondContact OG1-O 3.02Å; T409-T426 WeakPolarHBondContact CG2-OG1 3.31Å; T409-T426 VanDerWaalsContact OG1-CG2 3.27Å; T409-T426 WeakPolarHBondContact OG1-CG2 3.49Å; T409-T426 PolarHBondContact OG1-OG1 3.28Å |
| 410 | E | 78.1 | Confident | 72.4 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.7 | 170.3 | -71.1 | -179.7 | -125 | 0 | 0 | 111 | N421 E423 | E410-N421 PolarHBondContact OE2-ND2 3Å; E410-E423 HydrophobicContact CG-CG 3.92Å |
| 411 | F | 65.7 | Low | 70.8 | Confident | 102 Ų | 102 | 83.5 Ų | 83.5 | 45% | 0.447 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.1 | 170.5 | -64.5 | -76.8 | 0 | 0 | 0 | 110.7 | N413 K422 A424 | F411-N413 PolarHBondContact O-N 3.2Å; F411-K422 PolarHBondContact N-O 3.35Å; F411-K422 PolarHBondContact O-N 3.17Å; F411-A424 HydrophobicContact CD2-CB 4.41Å; F411-A424 HydrophobicContact CE2-CB 3.81Å |
| 412 | N | 58.2 | Low | 69.8 | Low | 106 Ų | 106 | 87.4 Ų | 87.4 | 57% | 0.567 | 44% | 0.443 | S | S | * | . | trans | -75.1 | 108.5 | 167.3 | -72.1 | 8.6 | 0 | 0 | 0 | 109.4 | M414 N421 | N412-M414 HydrophobicContact CB-CG 4.46Å; N412-M414 PolarHBondContact O-N 3.04Å; N412-N421 PolarHBondContact OD1-ND2 3.38Å; N412-N421 PolarHBondContact OD1-OD1 3.05Å | ||
| 413 | N | 52.5 | Low | 69.3 | Low | 80 Ų | 80 | 89 Ų | 89 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | trans | -73.3 | 76.8 | 167.5 | -93.9 | -9 | 0 | 0 | 0 | 110.2 | F411 D415 V416 E419 | F411-N413 PolarHBondContact O-N 3.2Å; N413-D415 PolarHBondContact O-N 3.04Å; N413-V416 PolarHBondContact O-N 2.66Å; N413-E419 PolarHBondContact ND2-OE2 2.76Å | ||
| 414 | M | 47.7 | Very low | 69 | Low | 155 Ų | 155 | 88.8 Ų | 88.8 | 76% | 0.764 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.1 | -176.9 | -80.6 | -121.3 | 62.9 | 0 | 0 | 115 | N412 | N412-M414 HydrophobicContact CB-CG 4.46Å; N412-M414 PolarHBondContact O-N 3.04Å |
| 415 | D | 51.2 | Low | 69.1 | Low | 165 Ų | 165 | 86.8 Ų | 86.8 | 88% | 0.882 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -7 | 179.5 | -65.2 | -41.8 | 0 | 0 | 0 | 114.2 | N413 | N413-D415 PolarHBondContact O-N 3.04Š|
| 416 | V | 51.1 | Low | 69.2 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | trans | -137.6 | 97.2 | -178.5 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | N413 E418 E419 | N413-V416 PolarHBondContact O-N 2.66Å; V416-E418 PolarHBondContact O-N 3.03Å; V416-E419 HydrophobicContact CG1-CG 4.16Å | ||
| 417 | L | 53.2 | Low | 69.3 | Low | 176 Ų | 176 | 85.9 Ų | 85.9 | 92% | 0.921 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -1.6 | -175.8 | -69.5 | 168.3 | 0 | 0 | 0 | 116 | ||
| 418 | E | 53.9 | Low | 69.5 | Low | 188 Ų | 188 | 85.2 Ų | 85.2 | 88% | 0.879 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -6.8 | -173.5 | -64.2 | -175 | 163.7 | 0 | 0 | 114.3 | V416 | V416-E418 PolarHBondContact O-N 3.03Š|
| 419 | E | 52.3 | Low | 69.9 | Low | 86 Ų | 86 | 81.8 Ų | 81.8 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -87.6 | 135.4 | 171.2 | -74.9 | -160.2 | 135.8 | 0 | 0 | 111.1 | N413 V416 K422 | N413-E419 PolarHBondContact ND2-OE2 2.76Å; V416-E419 HydrophobicContact CG1-CG 4.16Å; E419-K422 IonicContact OE1-NZ 3.94Å; E419-K422 PolarHBondContact OE1-NZ 3.37Å; E419-K422 IonicContact OE2-NZ 2.76Å; E419-K422 PolarHBondContact OE2-NZ 3.09Å |
| 420 | P | 56.5 | Low | 70.5 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.3 | 172.1 | 28.8 | -34.9 | 0 | 0 | 0 | 111.3 | K422 L448 | P420-K422 PolarHBondContact O-N 2.99Å; P420-L448 HydrophobicContact CB-CD1 4.49Å; P420-L448 HydrophobicContact CG-CD1 3.87Å |
| 421 | N | 60.8 | Low | 71.2 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 127.8 | 175.6 | -89.1 | 15.2 | 0 | 0 | 0 | 111.2 | E410 N412 | E410-N421 PolarHBondContact OE2-ND2 3Å; N412-N421 PolarHBondContact OD1-ND2 3.38Å; N412-N421 PolarHBondContact OD1-OD1 3.05Å |
| 422 | K | 73.1 | Confident | 72.6 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 109.6 | 179 | -70.2 | 169.7 | -176.9 | 165.1 | 0 | 108.6 | F411 E419 P420 | F411-K422 PolarHBondContact N-O 3.35Å; F411-K422 PolarHBondContact O-N 3.17Å; E419-K422 IonicContact OE1-NZ 3.94Å; E419-K422 PolarHBondContact OE1-NZ 3.37Å; E419-K422 IonicContact OE2-NZ 2.76Å; E419-K422 PolarHBondContact OE2-NZ 3.09Å; P420-K422 PolarHBondContact O-N 2.99Å |
| 423 | E | 85 | Confident | 74.1 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 148.5 | 167.4 | -75.8 | 178.2 | -128.6 | 0 | 0 | 110.3 | I408 T409 E410 K446 | I408-E423 HydrophobicContact CG2-CB 4.07Å; I408-E423 HydrophobicContact CG2-CG 3.93Å; I408-E423 WeakPolarHBondContact CG2-OE2 3.34Å; T409-E423 CarbonylContact O-C 3.5Å; T409-E423 WeakPolarHBondContact O-CA 2.78Å; E410-E423 HydrophobicContact CG-CG 3.92Å; E423-K446 HydrophobicContact CB-CB 3.89Å; E423-K446 HydrophobicContact CB-CD 3.78Å; E423-K446 HydrophobicContact CB-CG 4.41Å; E423-K446 VanDerWaalsContact O-CB 3.27Å; E423-K446 WeakPolarHBondContact O-CB 3.28Å; E423-K446 PolarHBondContact O-N 2.93Å; E423-K446 WeakPolarHBondContact OE2-CD 3.12Å; E423-K446 VanDerWaalsContact OE2-CE 3.3Å; E423-K446 WeakPolarHBondContact OE2-CE 3.48Å; E423-K446 IonicContact OE2-NZ 3.2Å; E423-K446 PolarHBondContact OE2-NZ 3.49Å |
| 424 | A | 87.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I408 T409 F411 T426 I444 | I408-A424 WeakPolarHBondContact CA-O 3.37Å; T409-A424 PolarHBondContact N-O 2.85Å; T409-A424 PolarHBondContact O-N 3.38Å; T409-A424 PolarHBondContact OG1-O 3.02Å; F411-A424 HydrophobicContact CD2-CB 4.41Å; F411-A424 HydrophobicContact CE2-CB 3.81Å; A424-T426 HydrophobicContact CB-CG2 4.21Å; A424-T426 PolarHBondContact O-N 3.04Å; A424-I444 CarbonylContact C-O 3.39Å; A424-I444 VanDerWaalsContact CA-O 3.27Å; A424-I444 WeakPolarHBondContact CA-O 3.47Å; A424-I444 WeakPolarHBondContact CB-O 3.43Å |
| 425 | I | 90.2 | Very high | 77.4 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 106.5 | 168.8 | -60.3 | 173.1 | 0 | 0 | 0 | 107.3 | F361 L406 H407 I444 | F361-I425 HydrophobicContact CE1-CD1 4.22Å; F361-I425 HydrophobicContact CE1-CG1 4.31Å; F361-I425 HydrophobicContact CE1-CG2 3.93Å; F361-I425 HydrophobicContact CZ-CG2 4.27Å; L406-I425 HydrophobicContact CD2-CG2 3.6Å; H407-I425 WeakPolarHBondContact O-CA 3.4Å; I425-I444 HydrophobicContact CB-CB 4.46Å; I425-I444 PolarHBondContact N-O 3.06Å; I425-I444 PolarHBondContact O-N 3.18Å |
| 426 | T | 90.9 | Very high | 79.2 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.3 | -179 | 53.4 | 0 | 0 | 0 | 0 | 111 | H407 T409 A424 L442 N443 | H407-T426 PolarHBondContact N-O 3.48Å; H407-T426 PolarHBondContact O-N 2.96Å; T409-T426 WeakPolarHBondContact CG2-OG1 3.31Å; T409-T426 VanDerWaalsContact OG1-CG2 3.27Å; T409-T426 WeakPolarHBondContact OG1-CG2 3.49Å; T409-T426 PolarHBondContact OG1-OG1 3.28Å; A424-T426 HydrophobicContact CB-CG2 4.21Å; A424-T426 PolarHBondContact O-N 3.04Å; T426-L442 WeakPolarHBondContact CA-O 3.45Å; T426-N443 HydrophobicContact CG2-CB 4.2Å; T426-N443 VanDerWaalsContact CG2-OD1 3.29Å; T426-N443 WeakPolarHBondContact CG2-OD1 3.36Å |
| 427 | G | 90.4 | Very high | 81.1 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -175.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | E405 T441 L442 | E405-G427 CarbonylContact O-C 3.58Å; E405-G427 VanDerWaalsContact O-CA 3.22Å; E405-G427 WeakPolarHBondContact O-CA 3.3Å; G427-T441 WeakPolarHBondContact O-CA 3.39Å; G427-L442 PolarHBondContact N-O 2.78Å; G427-L442 VanDerWaalsContact N-O 3.1Å; G427-L442 PolarHBondContact O-N 2.8Å |
| 428 | F | 92.2 | Very high | 83 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 37% | 0.373 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.9 | 179.5 | -60.7 | -96.9 | 0 | 0 | 0 | 110.8 | K404 E405 L440 T441 | K404-F428 WeakPolarHBondContact CA-O 3.29Å; K404-F428 HydrophobicContact CB-CB 4.14Å; K404-F428 VanDerWaalsContact CB-O 3.26Å; K404-F428 WeakPolarHBondContact CB-O 3.48Å; K404-F428 HydrophobicContact CD-CB 4.19Å; K404-F428 PolarHBondContact N-O 2.89Å; E405-F428 HydrophobicContact CG-CD2 4.15Å; E405-F428 PolarHBondContact N-O 2.94Å; E405-F428 VanDerWaalsContact N-O 3.13Å; E405-F428 PolarHBondContact O-N 3Å; E405-F428 VanDerWaalsContact OE1-CB 3.32Å; E405-F428 WeakPolarHBondContact OE1-CB 3.37Å; E405-F428 WeakPolarHBondContact OE1-CD2 3.49Å; E405-F428 WeakPolarHBondContact OE1-CG 3.11Å; F428-L440 WeakPolarHBondContact CA-O 3.47Å; F428-T441 HydrophobicContact CD1-CG2 4.11Å; F428-T441 WeakPolarHBondContact CD1-OG1 3.28Å; F428-T441 HydrophobicContact CE1-CG2 3.73Å; F428-T441 VanDerWaalsContact CE1-OG1 3.31Å; F428-T441 WeakPolarHBondContact CE1-OG1 3.48Å; F428-T441 HydrophobicContact CZ-CG2 4.07Å |
| 429 | L | 94.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154 | 178.5 | -61.1 | -174.3 | 0 | 0 | 0 | 109.5 | I363 L372 L401 I403 L406 S439 L440 L442 | I363-L429 HydrophobicContact CD1-CD1 4.04Å; I363-L429 HydrophobicContact CD1-CD2 3.95Å; L372-L429 HydrophobicContact CD1-CD1 4.34Å; L401-L429 HydrophobicContact CD1-CB 3.67Å; L401-L429 HydrophobicContact CD1-CD1 3.87Å; L401-L429 HydrophobicContact CD1-CD2 4.18Å; L401-L429 HydrophobicContact CD1-CG 4.12Å; L401-L429 HydrophobicContact CD2-CD1 4.4Å; I403-L429 HydrophobicContact CB-CD2 4.05Å; I403-L429 HydrophobicContact CG1-CD2 3.78Å; I403-L429 HydrophobicContact CG2-CD2 3.95Å; L406-L429 HydrophobicContact CD1-CD2 4.15Å; L406-L429 HydrophobicContact CG-CD2 4.45Å; L429-S439 CarbonylContact O-C 3.52Å; L429-S439 WeakPolarHBondContact O-CA 3.17Å; L429-L440 HydrophobicContact CB-CB 4.23Å; L429-L440 PolarHBondContact N-O 3.4Å; L429-L440 PolarHBondContact O-N 3.49Å; L429-L442 HydrophobicContact CD1-CD1 3.63Å; L429-L442 HydrophobicContact CD1-CG 4.16Å; L429-L442 HydrophobicContact CG-CD1 4.07Å; L429-L442 HydrophobicContact CG-CG 4.39Å |
| 430 | I | 94.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117 | 165.9 | -56.9 | -175.4 | 0 | 0 | 0 | 108.8 | L51 V66 I68 C75 V92 L401 D402 L437 L438 | L51-I430 HydrophobicContact CD1-CD1 4.27Å; L51-I430 HydrophobicContact CD1-CG1 4.48Å; L51-I430 HydrophobicContact CD1-CG2 4Å; V66-I430 HydrophobicContact CG2-CG2 3.96Å; I68-I430 HydrophobicContact CD1-CB 4.04Å; I68-I430 HydrophobicContact CD1-CD1 3.85Å; I68-I430 HydrophobicContact CD1-CG1 3.83Å; I68-I430 HydrophobicContact CG1-CD1 4.08Å; I68-I430 HydrophobicContact CG1-CG1 4.49Å; C75-I430 HydrophobicContact CB-CD1 3.96Å; V92-I430 HydrophobicContact CG1-CD1 4.16Å; V92-I430 HydrophobicContact CG2-CD1 3.68Å; L401-I430 CarbonylContact C-O 3.53Å; L401-I430 WeakPolarHBondContact CA-O 3.29Å; D402-I430 PolarHBondContact N-O 3.16Å; D402-I430 PolarHBondContact O-N 2.94Å; I430-L437 HydrophobicContact CG2-CD1 3.71Å; I430-L437 HydrophobicContact CG2-CG 4.2Å; I430-L438 CarbonylContact C-O 3.52Å; I430-L438 WeakPolarHBondContact CA-O 3.46Å; I430-L438 WeakPolarHBondContact CG2-O 3.41Å |
| 431 | G | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S400 L438 | S400-G431 WeakPolarHBondContact O-CA 3.19Å; G431-L438 PolarHBondContact N-O 3.35Å; G431-L438 PolarHBondContact O-N 2.85Å |
| 432 | I | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125.6 | 168.4 | -72.1 | 172 | 0 | 0 | 0 | 108.6 | W56 L65 V66 I398 I399 S400 L437 | W56-I432 HydrophobicContact CB-CG2 4.11Å; W56-I432 HydrophobicContact CD2-CG2 3.34Å; W56-I432 HydrophobicContact CE3-CG2 3.77Å; W56-I432 HydrophobicContact CG-CG2 3.52Å; W56-I432 HydrophobicContact CH2-CG1 4.42Å; W56-I432 HydrophobicContact CH2-CG2 4.43Å; W56-I432 HydrophobicContact CZ2-CD1 3.91Å; W56-I432 HydrophobicContact CZ2-CG1 4Å; W56-I432 HydrophobicContact CZ2-CG2 4.07Å; W56-I432 HydrophobicContact CZ3-CG2 4.29Å; L65-I432 HydrophobicContact CB-CD1 3.78Å; L65-I432 WeakPolarHBondContact O-CD1 3.41Å; V66-I432 HydrophobicContact CB-CD1 3.79Å; V66-I432 HydrophobicContact CB-CG1 4.22Å; V66-I432 HydrophobicContact CG1-CD1 4.16Å; V66-I432 HydrophobicContact CG1-CG1 4.31Å; I398-I432 CarbonylContact C-O 3.45Å; I398-I432 WeakPolarHBondContact CA-O 3.29Å; I399-I432 HydrophobicContact CB-CG2 4.41Å; I399-I432 HydrophobicContact CD1-CG2 4.47Å; I399-I432 PolarHBondContact N-O 2.98Å; S400-I432 PolarHBondContact O-N 2.93Å; I432-L437 HydrophobicContact CD1-CD1 4.39Å; I432-L437 HydrophobicContact CG1-CD1 3.61Å |
| 433 | N | 90.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | trans | -109.3 | 176 | 166.1 | 86.1 | 22.2 | 0 | 0 | 0 | 110.3 | W56 Q396 P397 I398 K435 S436 L438 | W56-N433 VanDerWaalsContact CE3-O 3.25Å; Q396-N433 HydrophobicContact CB-CB 4.19Å; Q396-N433 PolarHBondContact OE1-ND2 2.97Å; Q396-N433 PolarHBondContact OE1-OD1 3.3Å; P397-N433 WeakPolarHBondContact O-CA 3.33Å; P397-N433 VanDerWaalsContact O-CB 3.27Å; P397-N433 WeakPolarHBondContact O-CB 3.49Å; I398-N433 HydrophobicContact CD1-CB 4.13Å; N433-K435 PolarHBondContact O-N 3.26Å; N433-K435 WeakPolarHBondContact OD1-CA 3.33Å; N433-K435 PolarHBondContact OD1-N 2.9Å; N433-S436 PolarHBondContact N-O 3.31Å; N433-S436 PolarHBondContact O-N 3.46Å; N433-S436 PolarHBondContact OD1-N 3.49Å; N433-L438 WeakPolarHBondContact ND2-CD1 3.4Å | ||
| 434 | P | 86.3 | Confident | 91.1 | Very high | 31 Ų | 31 | 20.5 Ų | 20.5 | 20% | 0.201 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -61 | -14.5 | -176.4 | -23.6 | 33 | 0 | 0 | 0 | 116.5 | W56 R58 P397 I399 | W56-P434 PolarHBondContact N-O 3.1Å; W56-P434 WeakPolarHBondContact O-CA 3.38Å; R58-P434 HydrophobicContact CB-CG 3.96Å; R58-P434 HydrophobicContact CG-CG 4.17Å; P397-P434 HydrophobicContact CG-CG 3.96Å; P397-P434 WeakPolarHBondContact O-CD 3.2Å; I399-P434 HydrophobicContact CD1-CB 4.37Å; I399-P434 HydrophobicContact CD1-CG 3.98Å |
| 435 | K | 83.1 | Confident | 91 | Very high | 91 Ų | 91 | 26.6 Ų | 26.6 | 40% | 0.396 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -121.2 | -20.1 | -178.3 | -71.1 | -173.4 | 173.2 | -172.4 | 0 | 114.6 | T53 Y54 N433 E897 | T53-K435 CarbonylContact C-O 3.59Å; T53-K435 WeakPolarHBondContact CA-O 3.42Å; T53-K435 VanDerWaalsContact CG2-O 3.27Å; T53-K435 WeakPolarHBondContact CG2-O 3.41Å; Y54-K435 CarbonylContact C-O 3.44Å; Y54-K435 PolarHBondContact N-O 2.97Å; Y54-K435 CarbonylContact O-C 3.58Å; Y54-K435 WeakPolarHBondContact O-CA 3.33Å; N433-K435 PolarHBondContact O-N 3.26Å; N433-K435 WeakPolarHBondContact OD1-CA 3.33Å; N433-K435 PolarHBondContact OD1-N 2.9Å; K435-E897 IonicContact NZ-OE1 3.66Å; K435-E897 IonicContact NZ-OE2 3.75Å; K435-E897 PolarHBondContact NZ-OE2 2.96Å |
| 436 | S | 88.7 | Confident | 90.8 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 12% | 0.119 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 142.9 | -161.6 | -60 | 0 | 0 | 0 | 0 | 113.9 | L50 N52 W56 N433 | L50-S436 WeakPolarHBondContact CD1-OG 3.42Å; N52-S436 CarbonylContact O-C 3.42Å; N52-S436 WeakPolarHBondContact O-CA 3.27Å; W56-S436 VanDerWaalsContact CZ3-C 3.42Å; N433-S436 PolarHBondContact N-O 3.31Å; N433-S436 PolarHBondContact O-N 3.46Å; N433-S436 PolarHBondContact OD1-N 3.49Å |
| 437 | L | 92.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124.7 | 156.3 | -176.9 | 73 | 0 | 0 | 0 | 107.9 | L51 N52 W56 V66 Y77 I90 I430 I432 | L51-L437 HydrophobicContact CB-CB 4.44Å; L51-L437 HydrophobicContact CB-CD2 4.02Å; L51-L437 HydrophobicContact CB-CG 4.11Å; L51-L437 WeakPolarHBondContact CB-O 3.16Å; L51-L437 HydrophobicContact CD1-CD2 4.31Å; L51-L437 HydrophobicContact CD1-CG 4.27Å; L51-L437 PolarHBondContact N-O 3.42Å; N52-L437 HydrophobicContact CB-CB 4.37Å; N52-L437 PolarHBondContact N-O 3.43Å; N52-L437 PolarHBondContact O-N 2.85Å; W56-L437 HydrophobicContact CH2-CB 4Å; V66-L437 HydrophobicContact CG2-CD1 4.2Å; Y77-L437 HydrophobicContact CD1-CD2 3.56Å; Y77-L437 HydrophobicContact CD2-CD2 4.36Å; Y77-L437 HydrophobicContact CE1-CD2 3.53Å; Y77-L437 HydrophobicContact CE2-CD2 4.33Å; Y77-L437 HydrophobicContact CG-CD2 3.98Å; I90-L437 HydrophobicContact CG2-CD2 4.46Å; I430-L437 HydrophobicContact CG2-CD1 3.71Å; I430-L437 HydrophobicContact CG2-CG 4.2Å; I432-L437 HydrophobicContact CD1-CD1 4.39Å; I432-L437 HydrophobicContact CG1-CD1 3.61Å |
| 438 | L | 92.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.6 | -176.2 | -58.5 | -180 | 0 | 0 | 0 | 111.2 | E49 L50 I430 G431 N433 L440 | E49-L438 CarbonylContact O-C 3.6Å; E49-L438 VanDerWaalsContact O-CA 3.27Å; E49-L438 WeakPolarHBondContact O-CA 3.1Å; L50-L438 HydrophobicContact CD1-CD2 4.1Å; I430-L438 CarbonylContact C-O 3.52Å; I430-L438 WeakPolarHBondContact CA-O 3.46Å; I430-L438 WeakPolarHBondContact CG2-O 3.41Å; G431-L438 PolarHBondContact N-O 3.35Å; G431-L438 PolarHBondContact O-N 2.85Å; N433-L438 WeakPolarHBondContact ND2-CD1 3.4Å; L438-L440 HydrophobicContact CB-CD2 3.83Å; L438-L440 HydrophobicContact CB-CG 4.42Å; L438-L440 HydrophobicContact CD1-CD2 3.94Å |
| 439 | S | 93 | Very high | 87.9 | Confident | 12 Ų | 12 | 33.5 Ų | 33.5 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132 | 153.4 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | S48 E49 L429 | S48-S439 CarbonylContact C-O 3.52Å; S48-S439 WeakPolarHBondContact CA-O 3.42Å; E49-S439 PolarHBondContact N-O 2.64Å; E49-S439 PolarHBondContact O-N 2.99Å; L429-S439 CarbonylContact O-C 3.52Å; L429-S439 WeakPolarHBondContact O-CA 3.17Å |
| 440 | L | 93.1 | Very high | 86 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.6 | 176.1 | -48.3 | 173.2 | 0 | 0 | 0 | 108.7 | V46 V47 I398 F428 L429 L438 | V46-L440 HydrophobicContact CG1-CB 4.29Å; V47-L440 WeakPolarHBondContact O-CA 3.41Å; I398-L440 HydrophobicContact CD1-CD1 4.04Å; I398-L440 HydrophobicContact CG1-CD1 4.04Å; F428-L440 WeakPolarHBondContact CA-O 3.47Å; L429-L440 HydrophobicContact CB-CB 4.23Å; L429-L440 PolarHBondContact N-O 3.4Å; L429-L440 PolarHBondContact O-N 3.49Å; L438-L440 HydrophobicContact CB-CD2 3.83Å; L438-L440 HydrophobicContact CB-CG 4.42Å; L438-L440 HydrophobicContact CD1-CD2 3.94Å |
| 441 | T | 92.9 | Very high | 83.2 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.7 | 170.5 | -49 | 0 | 0 | 0 | 0 | 108.7 | V46 V47 G427 F428 | V46-T441 WeakPolarHBondContact CA-O 3.47Å; V47-T441 PolarHBondContact N-O 2.8Å; V47-T441 PolarHBondContact O-N 3.41Å; G427-T441 WeakPolarHBondContact O-CA 3.39Å; F428-T441 HydrophobicContact CD1-CG2 4.11Å; F428-T441 WeakPolarHBondContact CD1-OG1 3.28Å; F428-T441 HydrophobicContact CE1-CG2 3.73Å; F428-T441 VanDerWaalsContact CE1-OG1 3.31Å; F428-T441 WeakPolarHBondContact CE1-OG1 3.48Å; F428-T441 HydrophobicContact CZ-CG2 4.07Å |
| 442 | L | 92.2 | Very high | 80.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.2 | 175.8 | -59.4 | -176.3 | 0 | 0 | 0 | 110.5 | V46 I374 V392 L406 T426 G427 L429 | V46-L442 HydrophobicContact CB-CD2 4.22Å; V46-L442 HydrophobicContact CG1-CD2 3.93Å; V46-L442 HydrophobicContact CG2-CD2 3.39Å; I374-L442 HydrophobicContact CD1-CD1 3.76Å; V392-L442 HydrophobicContact CG2-CD2 4.47Å; L406-L442 HydrophobicContact CD2-CD1 4.18Å; T426-L442 WeakPolarHBondContact CA-O 3.45Å; G427-L442 PolarHBondContact N-O 2.78Å; G427-L442 VanDerWaalsContact N-O 3.1Å; G427-L442 PolarHBondContact O-N 2.8Å; L429-L442 HydrophobicContact CD1-CD1 3.63Å; L429-L442 HydrophobicContact CD1-CG 4.16Å; L429-L442 HydrophobicContact CG-CD1 4.07Å; L429-L442 HydrophobicContact CG-CG 4.39Å |
| 443 | N | 90.6 | Very high | 76.9 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 91 | 164.8 | 179.6 | 19.1 | 0 | 0 | 0 | 110.1 | K45 T426 | K45-N443 VanDerWaalsContact CB-O 3.27Å; K45-N443 WeakPolarHBondContact CB-O 3.41Å; K45-N443 PolarHBondContact O-N 3.11Å; T426-N443 HydrophobicContact CG2-CB 4.2Å; T426-N443 VanDerWaalsContact CG2-OD1 3.29Å; T426-N443 WeakPolarHBondContact CG2-OD1 3.36Å |
| 444 | I | 89 | Confident | 73.9 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 107.3 | -172.6 | -52.7 | 171.5 | 0 | 0 | 0 | 109.5 | K45 I374 A390 V392 A424 I425 K446 | K45-I444 HydrophobicContact CB-CG1 4.27Å; K45-I444 HydrophobicContact CD-CG2 4.26Å; I374-I444 HydrophobicContact CD1-CD1 3.72Å; A390-I444 HydrophobicContact CB-CD1 4.5Å; A390-I444 HydrophobicContact CB-CG2 3.93Å; V392-I444 HydrophobicContact CG2-CD1 3.57Å; A424-I444 CarbonylContact C-O 3.39Å; A424-I444 VanDerWaalsContact CA-O 3.27Å; A424-I444 WeakPolarHBondContact CA-O 3.47Å; A424-I444 WeakPolarHBondContact CB-O 3.43Å; I425-I444 HydrophobicContact CB-CB 4.46Å; I425-I444 PolarHBondContact N-O 3.06Å; I425-I444 PolarHBondContact O-N 3.18Å; I444-K446 PolarHBondContact O-N 2.8Å |
| 445 | E | 86.3 | Confident | 71 | Confident | 128 Ų | 128 | 71.7 Ų | 71.7 | 60% | 0.598 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 130.9 | 171.2 | -65.4 | -178.6 | 152.4 | 0 | 0 | 110.9 | S21 | S21-E445 WeakPolarHBondContact CB-O 3.43Å; S21-E445 PolarHBondContact OG-O 3.07Å |
| 446 | K | 85.9 | Confident | 68.2 | Low | 34 Ų | 34 | 75.3 Ų | 75.3 | 15% | 0.148 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 117.4 | -174.7 | -170.1 | -177.6 | 172 | 172.1 | 0 | 109.2 | E376 H388 E423 I444 L448 | E376-K446 VanDerWaalsContact CD-NZ 3.3Å; E376-K446 IonicContact OE1-NZ 2.98Å; E376-K446 PolarHBondContact OE1-NZ 2.93Å; E376-K446 VanDerWaalsContact OE1-NZ 3.12Å; E376-K446 WeakPolarHBondContact OE2-CE 3.21Å; E376-K446 IonicContact OE2-NZ 2.75Å; E376-K446 PolarHBondContact OE2-NZ 3.32Å; H388-K446 WeakPolarHBondContact CE1-CG 3.27Å; H388-K446 WeakPolarHBondContact ND1-CG 3.38Å; E423-K446 HydrophobicContact CB-CB 3.89Å; E423-K446 HydrophobicContact CB-CD 3.78Å; E423-K446 HydrophobicContact CB-CG 4.41Å; E423-K446 VanDerWaalsContact O-CB 3.27Å; E423-K446 WeakPolarHBondContact O-CB 3.28Å; E423-K446 PolarHBondContact O-N 2.93Å; E423-K446 WeakPolarHBondContact OE2-CD 3.12Å; E423-K446 VanDerWaalsContact OE2-CE 3.3Å; E423-K446 WeakPolarHBondContact OE2-CE 3.48Å; E423-K446 IonicContact OE2-NZ 3.2Å; E423-K446 PolarHBondContact OE2-NZ 3.49Å; I444-K446 PolarHBondContact O-N 2.8Å; K446-L448 PolarHBondContact O-N 2.82Å |
| 447 | A | 79.8 | Confident | 65.2 | Low | 37 Ų | 37 | 77.7 Ų | 77.7 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 124.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S21 H388 | S21-A447 WeakPolarHBondContact O-CB 3.48Å; S21-A447 PolarHBondContact OG-N 3.02Å; H388-A447 PolarHBondContact CE1-O 3.36Å |
| 448 | L | 69.7 | Low | 62 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 148.8 | 171.3 | -68.5 | 170.2 | 0 | 0 | 0 | 110.1 | P420 K446 E450 | P420-L448 HydrophobicContact CB-CD1 4.49Å; P420-L448 HydrophobicContact CG-CD1 3.87Å; K446-L448 PolarHBondContact O-N 2.82Å; L448-E450 PolarHBondContact O-N 2.98Å |
| 449 | P | 63.2 | Low | 58.9 | Low | 98 Ų | 98 | 90.9 Ų | 90.9 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 127.9 | 168.5 | 27.5 | -33.3 | 0 | 0 | 0 | 109 | A23 E451 | A23-P449 HydrophobicContact CB-CB 4.4Å; P449-E451 PolarHBondContact O-N 2.93Å |
| 450 | E | 53.7 | Low | 55.7 | Low | 172 Ų | 172 | 99.2 Ų | 99.2 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 129.7 | 168.3 | -66.8 | 174.2 | -175.2 | 0 | 0 | 108.3 | L448 E452 | L448-E450 PolarHBondContact O-N 2.98Å; E450-E452 VanDerWaalsContact C-N 3.25Å; E450-E452 PolarHBondContact O-N 3.42Å |
| 451 | E | 36.2 | Very low | 52.6 | Low | 191 Ų | 191 | 103.7 Ų | 103.7 | 89% | 0.893 | 58% | 0.576 | S | S | * | * | trans | -68.8 | 85.9 | 174.1 | -69.3 | -166.4 | 152.1 | 0 | 0 | 109.3 | P449 S453 | P449-E451 PolarHBondContact O-N 2.93Å; E451-S453 VanDerWaalsContact C-N 3.3Å; E451-S453 PolarHBondContact O-N 3.45Å | ||
| 452 | E | 30.7 | Very low | 49.4 | Very low | 110 Ų | 110 | 108.9 Ų | 108.9 | 51% | 0.514 | 60% | 0.602 | S | S | . | * | trans | -57 | 99.5 | 161.8 | -78.5 | -168.7 | -172.1 | 0 | 0 | 107.1 | R26 E450 I454 | R26-E452 IonicContact CZ-OE1 2.72Å; R26-E452 IonicContact NE-OE1 3.82Å; R26-E452 IonicContact NH2-OE1 2.68Å; R26-E452 PolarHBondContact NH2-OE1 2.96Å; R26-E452 IonicContact NH2-OE2 2.62Å; R26-E452 PolarHBondContact NH2-OE2 3.32Å; E450-E452 VanDerWaalsContact C-N 3.25Å; E450-E452 PolarHBondContact O-N 3.42Å; E452-I454 WeakPolarHBondContact O-CG1 3.42Å; E452-I454 PolarHBondContact O-N 3.49Å | ||
| 453 | S | 24.7 | Very low | 46.4 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | trans | -57 | 111.6 | -173 | 57.6 | 0 | 0 | 0 | 0 | 110 | E451 T455 | E451-S453 VanDerWaalsContact C-N 3.3Å; E451-S453 PolarHBondContact O-N 3.45Å; S453-T455 PolarHBondContact O-N 3.02Å | ||
| 454 | I | 27.5 | Very low | 43.3 | Very low | 153 Ų | 153 | 115.8 Ų | 115.8 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | trans | -74.2 | 69.6 | -176.9 | -48.7 | -179.7 | 0 | 0 | 0 | 109.8 | E452 | E452-I454 WeakPolarHBondContact O-CG1 3.42Å; E452-I454 PolarHBondContact O-N 3.49Å | ||
| 455 | T | 25.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | -66.1 | 136.7 | 147 | 58.9 | 0 | 0 | 0 | 0 | 107 | S453 G457 | S453-T455 PolarHBondContact O-N 3.02Å; T455-G457 PolarHBondContact O-N 2.95Å | ||
| 456 | N | 24.6 | Very low | 37.7 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 89% | 0.893 | 70% | 0.699 | S | S | * | * | trans | -73.8 | 74.9 | -177.2 | -72.9 | -53.1 | 0 | 0 | 0 | 111 | ||||
| 457 | G | 25.3 | Very low | 34.9 | Very low | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | trans | -88.8 | 112.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T455 | T455-G457 PolarHBondContact O-N 2.95Š| ||
| 458 | S | 26.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -62.7 | 155.4 | 176 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | E460 | S458-E460 PolarHBondContact O-N 3.09Š| ||
| 459 | E | 26.1 | Very low | 30.6 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -47 | 117.3 | 176.2 | -58.2 | -179.9 | 125.5 | 0 | 0 | 112.5 | S461 | E459-S461 VanDerWaalsContact C-N 3.27Å; E459-S461 PolarHBondContact O-N 3.25Å | ||
| 460 | E | 25.7 | Very low | 29.1 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -72.1 | 79.4 | 176.6 | -74.1 | -163.6 | 140.9 | 0 | 0 | 111.9 | S458 N462 | S458-E460 PolarHBondContact O-N 3.09Å; E460-N462 PolarHBondContact O-N 3.42Å; E460-N462 PolarHBondContact O-ND2 2.95Å | ||
| 461 | S | 29.4 | Very low | 28 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | -65.4 | 126.7 | 164.7 | 66.2 | 0 | 0 | 0 | 0 | 110.1 | E459 T463 | E459-S461 VanDerWaalsContact C-N 3.27Å; E459-S461 PolarHBondContact O-N 3.25Å; S461-T463 PolarHBondContact O-N 3.48Å; S461-T463 VanDerWaalsContact O-N 3.14Å | ||
| 462 | N | 24.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -77.9 | 98.6 | -175.4 | -84.6 | -113.3 | 0 | 0 | 0 | 111.4 | E460 | E460-N462 PolarHBondContact O-N 3.42Å; E460-N462 PolarHBondContact O-ND2 2.95Å | ||
| 463 | T | 29.6 | Very low | 27.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -138.8 | 99.4 | 162.8 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | S461 | S461-T463 PolarHBondContact O-N 3.48Å; S461-T463 VanDerWaalsContact O-N 3.14Å | ||
| 464 | S | 25.8 | Very low | 28.2 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 33.7 | 121.5 | 129.5 | -53.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 465 | I | 29.3 | Very low | 28.4 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | 77.9 | 115.5 | 127.8 | -61.5 | 170.5 | 0 | 0 | 0 | 119 | |||||
| 466 | E | 27.9 | Very low | 28.7 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 61.2 | 151.7 | 152.6 | -66.8 | 161.5 | -154.8 | 0 | 0 | 119.4 | ||||
| 467 | G | 26.6 | Very low | 29.1 | Very low | 60 Ų | 60 | 132.9 Ų | 132.9 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | cis | 172 | 170.3 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 468 | S | 30.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 65.2 | 134.9 | -173.4 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 469 | E | 28.8 | Very low | 29.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | 78 | 98.7 | 28.6 | -67.6 | -144.3 | 141.7 | 0 | 0 | 117.8 | ||||
| 470 | D | 33 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 79% | 0.785 | S | S | * | * | trans | -174.2 | 151.9 | 135.9 | -114.7 | -0.7 | 0 | 0 | 0 | 108.9 | ||||
| 471 | R | 30.2 | Very low | 29.8 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | cis | -170.8 | 170.3 | -34 | -124.2 | -171 | -163.3 | 113.7 | -3.2 | 108.5 | ||||
| 472 | K | 33.5 | Very low | 29.9 | Very low | 182 Ų | 182 | 135 Ų | 135 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 75.2 | 141.7 | 171.3 | -59.3 | 162.2 | -173.4 | 166.2 | 0 | 114.5 | ||||
| 473 | N | 31.5 | Very low | 30 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | -155.9 | 142.3 | -2.9 | -103.7 | -12.8 | 0 | 0 | 0 | 109.5 | ||||
| 474 | G | 30.6 | Very low | 30.1 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 164.1 | 98 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 475 | A | 32.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | 52.3 | 123.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 476 | S | 30.6 | Very low | 30.3 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -117.1 | -168 | 163.3 | -28.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 477 | P | 32.8 | Very low | 30.5 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | cis | -135.1 | 150.1 | -25.4 | 33.7 | -17.1 | 0 | 0 | 0 | 114 | ||||
| 478 | I | 31.2 | Very low | 30.7 | Very low | 178 Ų | 178 | 139 Ų | 139 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | trans | -142.9 | 115.2 | 141 | -56.7 | -176.2 | 0 | 0 | 0 | 109.9 | ||||
| 479 | A | 26.6 | Very low | 30.6 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 141.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 480 | P | 31.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -147.8 | -178.5 | 91 | 39.4 | -21.2 | 0 | 0 | 0 | 111.7 | |||||
| 481 | S | 29 | Very low | 30.5 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -172.4 | 151.1 | -16.1 | 42.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 482 | E | 32.1 | Very low | 30.6 | Very low | 201 Ų | 201 | 133.2 Ų | 133.2 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -149.4 | 113.3 | 139.2 | -128.5 | 167.3 | -148.8 | 0 | 0 | 109.5 | ||||
| 483 | E | 26.9 | Very low | 30.3 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -106.3 | 147.8 | 176.5 | -67.4 | -178.5 | 123.6 | 0 | 0 | 110.1 | ||||
| 484 | K | 31 | Very low | 30.2 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 78% | 0.778 | 76% | 0.758 | S | S | * | * | 169.6 | 117.3 | 128.7 | -90.2 | -170.8 | 176.1 | -157.3 | 0 | 107.7 | |||||
| 485 | S | 28.3 | Very low | 30 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | 64.1 | 139.4 | 74 | 81.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 486 | E | 31.8 | Very low | 29.8 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | cis | -140.3 | 133.4 | 38.9 | -74.8 | 160 | -178.7 | 0 | 0 | 110.6 | ||||
| 487 | E | 30.6 | Very low | 29.7 | Very low | 164 Ų | 164 | 139 Ų | 139 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | 86.8 | 157.9 | 99.7 | -70.7 | -162.9 | 165.2 | 0 | 0 | 115 | |||||
| 488 | T | 30.8 | Very low | 29.6 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | cis | -155.5 | 130.4 | 4.5 | -1.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 489 | T | 29.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 58.7 | 158.1 | 132.9 | 63.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 490 | V | 30.5 | Very low | 29.5 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 67% | 0.667 | 76% | 0.757 | S | S | * | * | cis | -165.1 | 150.4 | 3.1 | 107.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 491 | D | 28.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | trans | 46.7 | 157.8 | 146.6 | -59.9 | -27.1 | 0 | 0 | 0 | 124.2 | ||||
| 492 | Q | 31.4 | Very low | 29.4 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -161 | 162.9 | -15.9 | -111.5 | 162.5 | 34.9 | 0 | 0 | 111.6 | ||||
| 493 | Q | 27.9 | Very low | 29.2 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 17.3 | 145.2 | 143.7 | -62.9 | 177.2 | -16.2 | 0 | 0 | 120.5 | ||||
| 494 | V | 29.5 | Very low | 29.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | -156.9 | 156.5 | 66.8 | 157.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 495 | S | 25.1 | Very low | 29.1 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -86.1 | 162.1 | 179.1 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 496 | D | 29.6 | Very low | 29.1 | Very low | 166 Ų | 166 | 140 Ų | 140 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -151.4 | 146.1 | 141.9 | -126.8 | -22.6 | 0 | 0 | 0 | 112.7 | ||||
| 497 | K | 27.3 | Very low | 28.9 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -166.1 | 138 | -179.6 | -152.7 | -170.3 | -171.8 | -168.9 | 0 | 110.8 | ||||
| 498 | P | 32.6 | Very low | 28.8 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -121.3 | 170.9 | 158.4 | 32.2 | -18.1 | 0 | 0 | 0 | 113 | ||||
| 499 | E | 26.6 | Very low | 28.9 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -119.7 | 170.4 | -162.1 | -59.7 | 171.9 | 118.6 | 0 | 0 | 113.9 | ||||
| 500 | G | 28.8 | Very low | 28.7 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 113.4 | 151.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 501 | D | 26.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | cis | -167.6 | 172 | -24.3 | -141.7 | -28.1 | 0 | 0 | 0 | 110.4 | ||||
| 502 | S | 30.6 | Very low | 28.9 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 70.1 | 147.1 | 162.1 | 84.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 503 | E | 27.3 | Very low | 28.6 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | cis | -165.7 | 172.3 | -13.7 | -129 | 179.5 | -152.8 | 0 | 0 | 111.9 | ||||
| 504 | K | 30.3 | Very low | 28.7 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 80.1 | 121.9 | 172.1 | -60.9 | 169.7 | -173.2 | 175.2 | 0 | 116.1 | ||||
| 505 | E | 27.1 | Very low | 28.5 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | cis | 72.4 | 139.2 | 45.3 | -60.4 | -163.9 | 140.1 | 0 | 0 | 113.5 | ||||
| 506 | L | 27.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 63% | 0.634 | 79% | 0.792 | S | S | * | * | cis | -153.5 | 155.3 | 10.8 | -152.6 | 75.4 | 0 | 0 | 0 | 111.8 | ||||
| 507 | F | 28.3 | Very low | 28.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | trans | 22.1 | 152.3 | 143.5 | -72.4 | -154.6 | 0 | 0 | 0 | 121.3 | ||||
| 508 | L | 27.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -162.5 | 172.4 | 2.3 | -105.4 | 168.5 | 0 | 0 | 0 | 108.1 | ||||
| 509 | P | 34.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -109 | -175.2 | -174.8 | 42.3 | -35.5 | 0 | 0 | 0 | 116 | ||||
| 510 | A | 25 | Very low | 28.2 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 93.7 | 114.1 | 153.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 511 | S | 29.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -162.2 | 128.9 | 147.2 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 512 | P | 34 | Very low | 27.9 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | trans | -100 | 174.5 | -179.7 | 39.8 | -35.7 | 0 | 0 | 0 | 114 | ||||
| 513 | D | 24.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | 35.1 | 129.2 | 153.3 | -51.7 | -22.4 | 0 | 0 | 0 | 121.5 | ||||
| 514 | L | 31.1 | Very low | 27.6 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -138.9 | 148.7 | 155.2 | -114.3 | 173.8 | 0 | 0 | 0 | 109.8 | ||||
| 515 | D | 24.9 | Very low | 27.3 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -124.3 | 170.8 | -154.8 | -162.5 | 3.3 | 0 | 0 | 0 | 112.7 | ||||
| 516 | A | 29 | Very low | 27.2 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 73.4 | 143.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 517 | S | 25.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -116.6 | 149.1 | 179.7 | 57 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 518 | L | 29.5 | Very low | 27.1 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -149.5 | 146.7 | 161 | -74.9 | 178.1 | 0 | 0 | 0 | 109.2 | ||||
| 519 | G | 26.6 | Very low | 27 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 81% | 0.812 | S | S | * | * | cis | -127.7 | 168.1 | -14 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 520 | V | 25.3 | Very low | 26.4 | Very low | 126 Ų | 126 | 141 Ų | 141 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | cis | 69.3 | 95.4 | 44.8 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 521 | E | 25.7 | Very low | 26.3 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | -127.6 | 139.6 | 123 | -82.2 | -161.4 | 140.2 | 0 | 0 | 108.2 | |||||
| 522 | E | 23.8 | Very low | 26 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -105.1 | 138.3 | 173.9 | -57.8 | 172 | 99.6 | 0 | 0 | 109.9 | ||||
| 523 | V | 26.3 | Very low | 25.6 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -141.7 | 119.3 | 140.7 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 524 | N | 24 | Very low | 25.6 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | trans | -62.5 | 141.9 | 173.6 | -62.2 | -89 | 0 | 0 | 0 | 112.9 | ||||
| 525 | Q | 25.5 | Very low | 25.1 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | 170.8 | 139 | 109.4 | -91.8 | 170.9 | 23 | 0 | 0 | 115.3 | |||||
| 526 | I | 24.6 | Very low | 25.2 | Very low | 164 Ų | 164 | 153 Ų | 153 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -132.9 | 129.3 | 159.1 | -71.5 | 174.9 | 0 | 0 | 0 | 103.1 | ||||
| 527 | P | 27.4 | Very low | 25.1 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -153.3 | -179.4 | 85 | 40.5 | -19.5 | 0 | 0 | 0 | 117.3 | |||||
| 528 | M | 26.5 | Very low | 24.9 | Very low | 179 Ų | 179 | 155.7 Ų | 155.7 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -71 | 147.2 | 175.5 | -59.3 | 174.1 | -80.7 | 0 | 0 | 114 | ||||
| 529 | E | 25.4 | Very low | 24.6 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -172.9 | 168.7 | 139.9 | -90.8 | -136 | 112.5 | 0 | 0 | 109.3 | ||||
| 530 | L | 21.2 | Very low | 24.5 | Very low | 113 Ų | 113 | 155.9 Ų | 155.9 | 59% | 0.592 | 79% | 0.785 | S | S | * | * | -168.3 | 128.5 | -54.5 | -132.7 | 160.3 | 0 | 0 | 0 | 109.2 | |||||
| 531 | K | 22.7 | Very low | 24.5 | Very low | 175 Ų | 175 | 157.4 Ų | 157.4 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 144.8 | 157.3 | -94.5 | 166 | -159.8 | 152.4 | 0 | 122.6 | ||||
| 532 | R | 23.2 | Very low | 24.4 | Very low | 222 Ų | 222 | 157.2 Ų | 157.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 74.6 | 111.9 | 148.2 | -73.1 | 172.3 | 173.4 | 167.8 | -3.2 | 120.2 | ||||
| 533 | L | 24.9 | Very low | 24.9 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | S | Bend | -124.6 | 149.6 | 91.4 | -87.5 | 102.4 | 0 | 0 | 0 | 110.6 | |||
| 534 | F | 24.7 | Very low | 24.8 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 10.7 | 133.1 | 152.6 | -62.8 | -100.7 | 0 | 0 | 0 | 118.6 | ||||
| 535 | M | 21.4 | Very low | 24.8 | Very low | 180 Ų | 180 | 153.4 Ų | 153.4 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | cis | 59.4 | 94.2 | 25.4 | -101.1 | -156 | 86.6 | 0 | 0 | 116.1 | ||||
| 536 | E | 26.7 | Very low | 25 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -152.7 | 146.6 | 151.5 | -124.6 | 165 | -160.6 | 0 | 0 | 111.8 | ||||
| 537 | S | 26.5 | Very low | 25 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | 5.4 | 140.6 | 160.5 | 47.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 538 | L | 20.8 | Very low | 25.1 | Very low | 162 Ų | 162 | 150.2 Ų | 150.2 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | cis | 47.8 | 81.2 | 23.9 | -81.5 | 179.5 | 0 | 0 | 0 | 115.9 | ||||
| 539 | N | 23.6 | Very low | 25.1 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | 178.9 | 159.8 | 104.6 | -111 | 40.6 | 0 | 0 | 0 | 113.5 | |||||
| 540 | D | 23.6 | Very low | 25 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 30.3 | 130.2 | 151.5 | -45.5 | -30 | 0 | 0 | 0 | 119.8 | ||||
| 541 | N | 26 | Very low | 25.3 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | -166.5 | 140 | 72.6 | -86.4 | -82.1 | 0 | 0 | 0 | 113.9 | |||||
| 542 | F | 23.3 | Very low | 25.4 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -99.9 | -179.4 | 147.6 | -97.9 | -94.6 | 0 | 0 | 0 | 107.8 | ||||
| 543 | P | 34.3 | Very low | 25.7 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | cis | -117.1 | -130 | -7.1 | 24.5 | 2 | 0 | 0 | 0 | 109.7 | ||||
| 544 | E | 25 | Very low | 25.7 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -163.2 | 160.4 | 0.3 | -150.8 | -172.4 | -81.2 | 0 | 0 | 112.3 | ||||
| 545 | A | 24.2 | Very low | 25.8 | Very low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | 68.5 | 156.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 546 | T | 28.8 | Very low | 26.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | cis | -139.9 | 146 | 14.6 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 547 | S | 25.7 | Very low | 26 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 31.3 | 150.1 | 141.7 | 66.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 548 | E | 28.3 | Very low | 25.8 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -150.2 | 139.5 | 38.9 | -78.9 | -176.2 | 151.9 | 0 | 0 | 115 | ||||
| 549 | E | 26.6 | Very low | 26.1 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | 38.8 | 130.8 | 129.1 | -81.3 | -155.3 | -158.9 | 0 | 0 | 126.8 | |||||
| 550 | C | 23.4 | Very low | 26.1 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 58% | 0.581 | 76% | 0.757 | S | S | * | * | 85.1 | 128.5 | 125.6 | -83.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 551 | K | 28.3 | Very low | 26.4 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 73% | 0.726 | 77% | 0.766 | S | S | * | * | trans | 81.9 | 86.8 | 135.2 | -65.6 | 161.9 | -168.4 | 131.3 | 0 | 120.7 | ||||
| 552 | S | 23.4 | Very low | 26.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 29.4 | 124.2 | 117.7 | 62.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 553 | S | 29.4 | Very low | 26.4 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | -171.8 | 138.4 | 118.7 | 40.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 554 | T | 25.3 | Very low | 26 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -121 | 147.2 | 153.4 | 48.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 555 | P | 28.3 | Very low | 26.1 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | -139.8 | -177.1 | 105.8 | 42 | -29.3 | 0 | 0 | 0 | 110.7 | |||||
| 556 | A | 26.8 | Very low | 26.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | -143.7 | -175.5 | 10.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 557 | A | 24.3 | Very low | 26.5 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -134.2 | 162.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 558 | E | 22.9 | Very low | 26.6 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 161.4 | 168.5 | -51.2 | 179 | 162.9 | 0 | 0 | 114.8 | ||||
| 559 | V | 27.6 | Very low | 26.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | cis | -136.4 | 162.6 | 18.5 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 560 | S | 23.3 | Very low | 26.4 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | -72.8 | 156.4 | -176.6 | 58.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 561 | H | 28.9 | Very low | 26.4 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 178.4 | 154.4 | 130.2 | -93.1 | -67.6 | 0 | 0 | 0 | 108.7 | ||||
| 562 | V | 23.9 | Very low | 26.3 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | cis | 164.7 | 148.4 | -25.9 | 143.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 563 | T | 25.6 | Very low | 26.4 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | 72.7 | 129.9 | 169.5 | 42.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 564 | G | 25.5 | Very low | 26.1 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | 99.4 | 133.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 565 | T | 28 | Very low | 26 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 91% | 0.908 | 77% | 0.772 | S | S | * | * | cis | -155.4 | 158.8 | -4.4 | 28.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 566 | Y | 23.1 | Very low | 25.8 | Very low | 228 Ų | 228 | 134 Ų | 134 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -112.1 | -179.2 | -178.4 | -86.5 | -67.3 | 0 | 0 | 0 | 111.2 | ||||
| 567 | P | 38.9 | Very low | 25.6 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -139.8 | -150.5 | -32.6 | 36.9 | -14.8 | 0 | 0 | 0 | 113.5 | ||||
| 568 | T | 26.8 | Very low | 25.8 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 141.8 | 169 | 71.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 569 | S | 28.2 | Very low | 25.8 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -127.3 | 165 | 1.4 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 570 | C | 22.9 | Very low | 25.8 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | 59.3 | 129.4 | 49.2 | -71.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 571 | D | 22.4 | Very low | 25.8 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | cis | -159.7 | 163.3 | -11.6 | -75.3 | -47.1 | 0 | 0 | 0 | 108.3 | ||||
| 572 | F | 27 | Very low | 25.7 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 171.9 | 130.5 | 136.2 | -113.4 | -108.3 | 0 | 0 | 0 | 117.1 | ||||
| 573 | D | 26 | Very low | 25.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | 37.2 | 119.4 | 143.9 | -63.4 | 5.8 | 0 | 0 | 0 | 127.4 | ||||
| 574 | L | 22.9 | Very low | 25.6 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 39.7 | 131.2 | 116.1 | -88.9 | 64.5 | 0 | 0 | 0 | 124.5 | |||||
| 575 | F | 22.6 | Very low | 25.7 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | 46 | 119.7 | 147.9 | -70.6 | -73.5 | 0 | 0 | 0 | 121.8 | ||||
| 576 | S | 25 | Very low | 25.5 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | -179.4 | 157.8 | 95.2 | -164.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 577 | S | 22.3 | Very low | 25.5 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -53.8 | 139.7 | -174.1 | -176.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 578 | A | 27.6 | Very low | 25.2 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -150.3 | 122.5 | 133.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 579 | A | 23.9 | Very low | 25.1 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 72.5 | 87.1 | 53.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 580 | V | 27.4 | Very low | 25 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -133.6 | 96 | 159.3 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 581 | E | 23.8 | Very low | 25.2 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -77.5 | 141 | 167.9 | -62.4 | 166.6 | 145.3 | 0 | 0 | 109.7 | ||||
| 582 | R | 26.4 | Very low | 25.5 | Very low | 246 Ų | 246 | 145 Ų | 145 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -145.3 | 94.8 | 154.5 | -84.6 | -161.3 | 172.7 | 156.6 | 0.4 | 109.8 | ||||
| 583 | E | 23.7 | Very low | 25.5 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -98.7 | 153.6 | 172 | -111.1 | -166.1 | 164.3 | 0 | 0 | 112.1 | ||||
| 584 | L | 23.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 63% | 0.628 | 81% | 0.809 | S | S | * | * | trans | 57.6 | 116.4 | 147.1 | -60.7 | 166 | 0 | 0 | 0 | 120 | V586 | L584-V586 HydrophobicContact CD2-CG2 3.45Å; L584-V586 VanDerWaalsContact CD2-CG2 3.45Å | ||
| 585 | H | 26.8 | Very low | 26.3 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | -129.6 | 140.2 | 122.1 | -113.4 | -79.5 | 0 | 0 | 0 | 108.8 | |||||
| 586 | V | 24.2 | Very low | 26.8 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 59% | 0.588 | 81% | 0.814 | S | S | * | * | trans | -140.5 | 164.3 | -170 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | L584 | L584-V586 HydrophobicContact CD2-CG2 3.45Å; L584-V586 VanDerWaalsContact CD2-CG2 3.45Å | ||
| 587 | L | 24.5 | Very low | 27.4 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 89.5 | 148.5 | 173.8 | -54.6 | 179.1 | 0 | 0 | 0 | 116.3 | ||||
| 588 | P | 31.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -138.1 | -176.7 | -28 | 35.9 | -17.2 | 0 | 0 | 0 | 114.5 | ||||
| 589 | L | 24.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -58.7 | 140.7 | 168.9 | -66 | 149.3 | 0 | 0 | 0 | 113.2 | ||||
| 590 | A | 25 | Very low | 30.7 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | 163.9 | 161.7 | 114.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 591 | A | 27.8 | Very low | 31.4 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 130.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 592 | E | 28.1 | Very low | 32.6 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -65.8 | 149.5 | 178.3 | -51.7 | 156.8 | 134.8 | 0 | 0 | 112.8 | ||||
| 593 | S | 28.7 | Very low | 33.9 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | 166.1 | 175.2 | 106.3 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | D595 | S593-D595 PolarHBondContact O-N 3.02Š| |||
| 594 | K | 33.1 | Very low | 35 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | trans | -62.8 | 124.4 | -171.7 | -60.7 | 162.9 | -179.5 | 172.1 | 0 | 112.6 | ||||
| 595 | D | 32.8 | Very low | 36.3 | Very low | 161 Ų | 161 | 125.3 Ų | 125.3 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | -168.9 | 127.8 | 111.1 | -92.6 | -19.4 | 0 | 0 | 0 | 109.8 | S593 S597 | S593-D595 PolarHBondContact O-N 3.02Å; D595-S597 PolarHBondContact O-N 3.34Å | |||
| 596 | A | 32.7 | Very low | 38 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 85% | 0.851 | 68% | 0.681 | S | S | * | * | trans | -83.5 | 109.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 597 | S | 37 | Very low | 39.3 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 41% | 0.413 | 68% | 0.676 | S | S | . | * | trans | -73.7 | 155.1 | 172.5 | 91.3 | 0 | 0 | 0 | 0 | 110.8 | D595 D599 Q600 | D595-S597 PolarHBondContact O-N 3.34Å; S597-D599 PolarHBondContact O-N 2.96Å; S597-D599 WeakPolarHBondContact OG-CB 3.39Å; S597-D599 PolarHBondContact OG-N 3.07Å; S597-D599 PolarHBondContact OG-OD2 3.07Å; S597-Q600 PolarHBondContact O-N 3.27Å | ||
| 598 | P | 47 | Very low | 40.5 | Very low | 103 Ų | 103 | 115.6 Ų | 115.6 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.8 | -5.5 | 178.3 | 27.2 | -35.8 | 0 | 0 | 0 | 114.3 | Q600 S602 | P598-Q600 VanDerWaalsContact C-N 3.29Å; P598-Q600 PolarHBondContact O-N 3.17Å; P598-S602 PolarHBondContact O-N 3.06Å |
| 599 | D | 51.5 | Low | 41.6 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 54% | 0.535 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.9 | -20.4 | 178.2 | -53.9 | -72.1 | 0 | 0 | 0 | 113.1 | S597 K603 | S597-D599 PolarHBondContact O-N 2.96Å; S597-D599 WeakPolarHBondContact OG-CB 3.39Å; S597-D599 PolarHBondContact OG-N 3.07Å; S597-D599 PolarHBondContact OG-OD2 3.07Å; D599-K603 WeakPolarHBondContact O-CD 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.44Å; D599-K603 PolarHBondContact O-N 3.38Å |
| 600 | Q | 45.5 | Very low | 43.2 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79.3 | -49.4 | -180 | -172.1 | 62.9 | 21.2 | 0 | 0 | 111.5 | S597 P598 S602 K603 E604 | S597-Q600 PolarHBondContact O-N 3.27Å; P598-Q600 VanDerWaalsContact C-N 3.29Å; P598-Q600 PolarHBondContact O-N 3.17Å; Q600-S602 PolarHBondContact O-N 3.43Å; Q600-K603 PolarHBondContact O-N 2.88Å; Q600-K603 VanDerWaalsContact O-N 3.07Å; Q600-E604 PolarHBondContact NE2-OE1 3.42Å; Q600-E604 PolarHBondContact O-N 3.49Å |
| 601 | E | 42.2 | Very low | 44.5 | Very low | 156 Ų | 156 | 109 Ų | 109 | 73% | 0.729 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.5 | -35.8 | 173.7 | -66 | -172.8 | 154.4 | 0 | 0 | 111.5 | K603 E604 L605 | E601-K603 PolarHBondContact O-N 3.44Å; E601-E604 PolarHBondContact O-N 3.04Å; E601-L605 WeakPolarHBondContact O-CB 3.42Å; E601-L605 PolarHBondContact O-N 3.06Å |
| 602 | S | 47.7 | Very low | 45.7 | Very low | 59 Ų | 59 | 109.1 Ų | 109.1 | 41% | 0.413 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.1 | -42.9 | 174 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | P598 Q600 D606 | P598-S602 PolarHBondContact O-N 3.06Å; Q600-S602 PolarHBondContact O-N 3.43Å; S602-D606 WeakPolarHBondContact O-CB 3.22Å; S602-D606 PolarHBondContact O-N 3.25Å |
| 603 | K | 54.7 | Low | 46.9 | Very low | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.6 | -40.8 | 179.7 | -74.6 | 168.3 | -175.2 | 168.7 | 0 | 112.4 | D599 Q600 E601 D606 S607 | D599-K603 WeakPolarHBondContact O-CD 3.31Å; D599-K603 WeakPolarHBondContact O-CG 3.44Å; D599-K603 PolarHBondContact O-N 3.38Å; Q600-K603 PolarHBondContact O-N 2.88Å; Q600-K603 VanDerWaalsContact O-N 3.07Å; E601-K603 PolarHBondContact O-N 3.44Å; K603-D606 PolarHBondContact O-N 2.96Å; K603-S607 PolarHBondContact O-N 3.06Å; K603-S607 PolarHBondContact O-OG 3.5Å |
| 604 | E | 46 | Very low | 48 | Very low | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68 | -39.1 | 177.5 | -72.4 | 175.3 | -153.5 | 0 | 0 | 111.1 | Q600 E601 S607 L608 | Q600-E604 PolarHBondContact NE2-OE1 3.42Å; Q600-E604 PolarHBondContact O-N 3.49Å; E601-E604 PolarHBondContact O-N 3.04Å; E604-S607 WeakPolarHBondContact CA-OG 3.27Å; E604-S607 PolarHBondContact O-N 2.83Å; E604-S607 PolarHBondContact O-OG 2.95Å; E604-L608 WeakPolarHBondContact O-CB 3.26Å; E604-L608 PolarHBondContact O-N 3.16Å |
| 605 | L | 50 | Low | 48.6 | Very low | 96 Ų | 96 | 101.5 Ų | 101.5 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | 172.9 | -175.7 | 64.2 | 0 | 0 | 0 | 112.3 | E601 L608 K609 | E601-L605 WeakPolarHBondContact O-CB 3.42Å; E601-L605 PolarHBondContact O-N 3.06Å; L605-L608 PolarHBondContact O-N 2.93Å; L605-K609 VanDerWaalsContact O-CG 3.31Å; L605-K609 WeakPolarHBondContact O-CG 3.39Å; L605-K609 PolarHBondContact O-N 2.98Å |
| 606 | D | 63.5 | Low | 49.1 | Very low | 83 Ų | 83 | 95.6 Ų | 95.6 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.9 | -33.7 | 176.7 | -76.3 | -16.4 | 0 | 0 | 0 | 112.8 | S602 K603 K609 A610 | S602-D606 WeakPolarHBondContact O-CB 3.22Å; S602-D606 PolarHBondContact O-N 3.25Å; K603-D606 PolarHBondContact O-N 2.96Å; D606-K609 PolarHBondContact O-N 3.05Å; D606-K609 WeakPolarHBondContact OD1-CD 3.2Å; D606-K609 IonicContact OD1-NZ 2.65Å; D606-K609 PolarHBondContact OD1-NZ 3.13Å; D606-A610 PolarHBondContact O-N 3.45Å |
| 607 | S | 50.5 | Low | 50.1 | Low | 71 Ų | 71 | 96 Ų | 96 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 169.3 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | K603 E604 A610 V611 | K603-S607 PolarHBondContact O-N 3.06Å; K603-S607 PolarHBondContact O-OG 3.5Å; E604-S607 WeakPolarHBondContact CA-OG 3.27Å; E604-S607 PolarHBondContact O-N 2.83Å; E604-S607 PolarHBondContact O-OG 2.95Å; S607-A610 WeakPolarHBondContact O-CB 3.49Å; S607-A610 PolarHBondContact O-N 2.84Å; S607-V611 WeakPolarHBondContact O-CG2 3.46Å; S607-V611 PolarHBondContact O-N 3.3Å |
| 608 | L | 49.9 | Very low | 50.4 | Low | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.9 | -172.6 | 64.2 | 0 | 0 | 0 | 111.3 | E604 L605 A610 V611 I612 | E604-L608 WeakPolarHBondContact O-CB 3.26Å; E604-L608 PolarHBondContact O-N 3.16Å; L605-L608 PolarHBondContact O-N 2.93Å; L608-A610 VanDerWaalsContact C-N 3.32Å; L608-A610 PolarHBondContact O-N 2.92Å; L608-V611 PolarHBondContact O-N 2.9Å; L608-I612 HydrophobicContact CG-CD1 4.09Å; L608-I612 WeakPolarHBondContact O-CB 3.4Å; L608-I612 VanDerWaalsContact O-CG1 3.28Å; L608-I612 WeakPolarHBondContact O-CG1 3.5Å; L608-I612 PolarHBondContact O-N 2.89Å |
| 609 | K | 54.5 | Low | 50.3 | Low | 110 Ų | 110 | 98.7 Ų | 98.7 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 169.5 | -73.9 | 169.9 | -161.6 | 150.7 | 0 | 111.6 | L605 D606 I612 L613 | L605-K609 VanDerWaalsContact O-CG 3.31Å; L605-K609 WeakPolarHBondContact O-CG 3.39Å; L605-K609 PolarHBondContact O-N 2.98Å; D606-K609 PolarHBondContact O-N 3.05Å; D606-K609 WeakPolarHBondContact OD1-CD 3.2Å; D606-K609 IonicContact OD1-NZ 2.65Å; D606-K609 PolarHBondContact OD1-NZ 3.13Å; K609-I612 PolarHBondContact O-N 2.82Å; K609-L613 WeakPolarHBondContact O-CB 3.45Å; K609-L613 PolarHBondContact O-N 3.14Å |
| 610 | A | 59.8 | Low | 50.2 | Low | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D606 S607 L608 I612 L613 E614 | D606-A610 PolarHBondContact O-N 3.45Å; S607-A610 WeakPolarHBondContact O-CB 3.49Å; S607-A610 PolarHBondContact O-N 2.84Å; L608-A610 VanDerWaalsContact C-N 3.32Å; L608-A610 PolarHBondContact O-N 2.92Å; A610-I612 PolarHBondContact O-N 3.17Å; A610-L613 PolarHBondContact O-N 3.11Å; A610-E614 PolarHBondContact O-N 2.83Å |
| 611 | V | 51.2 | Low | 50.3 | Low | 79 Ų | 79 | 96.9 Ų | 96.9 | 48% | 0.479 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.7 | S607 L608 L613 E614 Q615 | S607-V611 WeakPolarHBondContact O-CG2 3.46Å; S607-V611 PolarHBondContact O-N 3.3Å; L608-V611 PolarHBondContact O-N 2.9Å; V611-L613 VanDerWaalsContact C-N 3.34Å; V611-L613 PolarHBondContact O-N 2.81Å; V611-E614 PolarHBondContact O-N 2.9Å; V611-Q615 WeakPolarHBondContact O-CG 3.45Å; V611-Q615 PolarHBondContact O-N 3.45Å |
| 612 | I | 53.6 | Low | 50.5 | Low | 106 Ų | 106 | 93.1 Ų | 93.1 | 54% | 0.544 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.3 | -69.2 | 166.9 | 0 | 0 | 0 | 111.1 | L608 K609 A610 G616 | L608-I612 HydrophobicContact CG-CD1 4.09Å; L608-I612 WeakPolarHBondContact O-CB 3.4Å; L608-I612 VanDerWaalsContact O-CG1 3.28Å; L608-I612 WeakPolarHBondContact O-CG1 3.5Å; L608-I612 PolarHBondContact O-N 2.89Å; K609-I612 PolarHBondContact O-N 2.82Å; A610-I612 PolarHBondContact O-N 3.17Å; I612-G616 PolarHBondContact O-N 3.02Å |
| 613 | L | 53.2 | Low | 50.5 | Low | 120 Ų | 120 | 96.1 Ų | 96.1 | 63% | 0.628 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 176.9 | -153.2 | 82.7 | 0 | 0 | 0 | 111.7 | K609 A610 V611 G616 K617 | K609-L613 WeakPolarHBondContact O-CB 3.45Å; K609-L613 PolarHBondContact O-N 3.14Å; A610-L613 PolarHBondContact O-N 3.11Å; V611-L613 VanDerWaalsContact C-N 3.34Å; V611-L613 PolarHBondContact O-N 2.81Å; L613-G616 PolarHBondContact O-N 3.19Å; L613-K617 PolarHBondContact O-N 2.71Å |
| 614 | E | 51.7 | Low | 50.5 | Low | 96 Ų | 96 | 94.5 Ų | 94.5 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.7 | -40.2 | -179.8 | -148.6 | 62.3 | -150.8 | 0 | 0 | 112 | A610 V611 G616 K617 M618 | A610-E614 PolarHBondContact O-N 2.83Å; V611-E614 PolarHBondContact O-N 2.9Å; E614-G616 VanDerWaalsContact C-N 3.27Å; E614-G616 PolarHBondContact O-N 2.94Å; E614-K617 PolarHBondContact O-N 3.08Å; E614-K617 WeakPolarHBondContact OE1-CD 3.36Å; E614-K617 IonicContact OE1-NZ 2.69Å; E614-K617 PolarHBondContact OE1-NZ 3.21Å; E614-K617 WeakPolarHBondContact OE2-CE 3.45Å; E614-K617 IonicContact OE2-NZ 2.78Å; E614-K617 PolarHBondContact OE2-NZ 3.18Å; E614-M618 WeakPolarHBondContact O-CB 3.42Å; E614-M618 PolarHBondContact O-N 3.3Å |
| 615 | Q | 45.6 | Very low | 50.7 | Low | 127 Ų | 127 | 95.9 Ų | 95.9 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -36.1 | 169.8 | -71.3 | -173.3 | 3.1 | 0 | 0 | 111.7 | V611 M618 L619 | V611-Q615 WeakPolarHBondContact O-CG 3.45Å; V611-Q615 PolarHBondContact O-N 3.45Å; Q615-M618 PolarHBondContact O-N 2.9Å; Q615-L619 WeakPolarHBondContact O-CB 3.34Å; Q615-L619 PolarHBondContact O-N 3.19Å |
| 616 | G | 44.4 | Very low | 50.5 | Low | 36 Ų | 36 | 96.2 Ų | 96.2 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I612 L613 E614 S620 | I612-G616 PolarHBondContact O-N 3.02Å; L613-G616 PolarHBondContact O-N 3.19Å; E614-G616 VanDerWaalsContact C-N 3.27Å; E614-G616 PolarHBondContact O-N 2.94Å; G616-S620 PolarHBondContact O-N 3.27Å; G616-S620 VanDerWaalsContact O-N 3.09Å; G616-S620 PolarHBondContact O-OG 3.08Å |
| 617 | K | 52.4 | Low | 49.9 | Very low | 113 Ų | 113 | 98.2 Ų | 98.2 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 171.6 | -68.3 | 174.1 | -173 | 162.3 | 0 | 111.5 | L613 E614 L619 S620 E621 | L613-K617 PolarHBondContact O-N 2.71Å; E614-K617 PolarHBondContact O-N 3.08Å; E614-K617 WeakPolarHBondContact OE1-CD 3.36Å; E614-K617 IonicContact OE1-NZ 2.69Å; E614-K617 PolarHBondContact OE1-NZ 3.21Å; E614-K617 WeakPolarHBondContact OE2-CE 3.45Å; E614-K617 IonicContact OE2-NZ 2.78Å; E614-K617 PolarHBondContact OE2-NZ 3.18Å; K617-L619 VanDerWaalsContact C-N 3.32Å; K617-L619 PolarHBondContact O-N 2.53Å; K617-S620 CarbonylContact O-C 3.49Å; K617-S620 WeakPolarHBondContact O-CA 3.25Å; K617-S620 WeakPolarHBondContact O-CB 3.17Å; K617-S620 PolarHBondContact O-N 3.07Å; K617-E621 PolarHBondContact O-N 3.08Å |
| 618 | M | 44.5 | Very low | 50.1 | Low | 102 Ų | 102 | 100.3 Ų | 100.3 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | -176.9 | -157.8 | -172.7 | -59.8 | 0 | 0 | 111.2 | I182 E614 Q615 E621 V622 | I182-M618 HydrophobicContact CD1-CE 4.46Å; E614-M618 WeakPolarHBondContact O-CB 3.42Å; E614-M618 PolarHBondContact O-N 3.3Å; Q615-M618 PolarHBondContact O-N 2.9Å; M618-E621 PolarHBondContact O-N 2.88Å; M618-V622 WeakPolarHBondContact O-CG2 3.24Å; M618-V622 PolarHBondContact O-N 3.22Å |
| 619 | L | 43.7 | Very low | 50 | Low | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 171.7 | -165.7 | 73.7 | 0 | 0 | 0 | 112.2 | Q615 K617 E621 V622 M623 | Q615-L619 WeakPolarHBondContact O-CB 3.34Å; Q615-L619 PolarHBondContact O-N 3.19Å; K617-L619 VanDerWaalsContact C-N 3.32Å; K617-L619 PolarHBondContact O-N 2.53Å; L619-E621 PolarHBondContact O-N 3.08Å; L619-V622 PolarHBondContact O-N 2.94Å; L619-M623 WeakPolarHBondContact O-CG 3.44Å; L619-M623 PolarHBondContact O-N 3.34Å |
| 620 | S | 49.2 | Very low | 49.6 | Very low | 75 Ų | 75 | 101.4 Ų | 101.4 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | G616 K617 M623 E624 | G616-S620 PolarHBondContact O-N 3.27Å; G616-S620 VanDerWaalsContact O-N 3.09Å; G616-S620 PolarHBondContact O-OG 3.08Å; K617-S620 CarbonylContact O-C 3.49Å; K617-S620 WeakPolarHBondContact O-CA 3.25Å; K617-S620 WeakPolarHBondContact O-CB 3.17Å; K617-S620 PolarHBondContact O-N 3.07Å; S620-M623 PolarHBondContact O-N 2.9Å; S620-E624 PolarHBondContact O-N 3.32Å |
| 621 | E | 48.2 | Very low | 49.4 | Very low | 89 Ų | 89 | 103.7 Ų | 103.7 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 177.6 | -151.3 | -150.9 | 139.5 | 0 | 0 | 112 | K617 M618 L619 E624 R625 | K617-E621 PolarHBondContact O-N 3.08Å; M618-E621 PolarHBondContact O-N 2.88Å; L619-E621 PolarHBondContact O-N 3.08Å; E621-E624 PolarHBondContact O-N 3.35Å; E621-R625 WeakPolarHBondContact O-CB 3.27Å; E621-R625 VanDerWaalsContact O-CG 3.28Å; E621-R625 WeakPolarHBondContact O-CG 3.41Å; E621-R625 PolarHBondContact O-N 3.32Å; E621-R625 IonicContact OE1-CZ 3.15Å; E621-R625 IonicContact OE1-NE 3.92Å; E621-R625 PolarHBondContact OE1-NE 2.76Å; E621-R625 IonicContact OE1-NH2 3.07Å; E621-R625 PolarHBondContact OE1-NH2 3.15Å; E621-R625 IonicContact OE2-NH2 2.71Å |
| 622 | V | 45.5 | Very low | 49.5 | Very low | 76 Ų | 76 | 107 Ų | 107 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 172.8 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | M618 L619 R625 L626 | M618-V622 WeakPolarHBondContact O-CG2 3.24Å; M618-V622 PolarHBondContact O-N 3.22Å; L619-V622 PolarHBondContact O-N 2.94Å; V622-R625 PolarHBondContact O-N 3.46Å; V622-L626 HydrophobicContact CG1-CD1 4.24Å; V622-L626 WeakPolarHBondContact O-CG 3.38Å; V622-L626 PolarHBondContact O-N 2.94Å |
| 623 | M | 49.3 | Very low | 49.1 | Very low | 122 Ų | 122 | 108.2 Ų | 108.2 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 174.2 | -73.3 | -179.7 | 66 | 0 | 0 | 112.1 | L619 S620 R625 L626 Q627 | L619-M623 WeakPolarHBondContact O-CG 3.44Å; L619-M623 PolarHBondContact O-N 3.34Å; S620-M623 PolarHBondContact O-N 2.9Å; M623-R625 PolarHBondContact O-N 3.29Å; M623-L626 PolarHBondContact O-N 2.9Å; M623-Q627 PolarHBondContact O-N 2.83Å |
| 624 | E | 54.8 | Low | 49.1 | Very low | 103 Ų | 103 | 108.9 Ų | 108.9 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 177.7 | -157.1 | -156.3 | -116.7 | 0 | 0 | 112.1 | S620 E621 Q627 R628 | S620-E624 PolarHBondContact O-N 3.32Å; E621-E624 PolarHBondContact O-N 3.35Å; E624-Q627 PolarHBondContact O-N 2.94Å; E624-R628 WeakPolarHBondContact O-CB 3.35Å; E624-R628 VanDerWaalsContact O-CG 3.3Å; E624-R628 WeakPolarHBondContact O-CG 3.41Å; E624-R628 PolarHBondContact O-N 2.84Å; E624-R628 PolarHBondContact O-NE 2.82Å; E624-R628 IonicContact OE2-CZ 2.7Å; E624-R628 IonicContact OE2-NE 2.59Å; E624-R628 PolarHBondContact OE2-NE 2.94Å; E624-R628 IonicContact OE2-NH2 3.98Å; E624-R628 PolarHBondContact OE2-NH2 2.93Å |
| 625 | R | 49.2 | Very low | 49.2 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 171.6 | -74.7 | 177 | -175.6 | -151.5 | 9.6 | 111.9 | E621 V622 M623 R628 I629 | E621-R625 WeakPolarHBondContact O-CB 3.27Å; E621-R625 VanDerWaalsContact O-CG 3.28Å; E621-R625 WeakPolarHBondContact O-CG 3.41Å; E621-R625 PolarHBondContact O-N 3.32Å; E621-R625 IonicContact OE1-CZ 3.15Å; E621-R625 IonicContact OE1-NE 3.92Å; E621-R625 PolarHBondContact OE1-NE 2.76Å; E621-R625 IonicContact OE1-NH2 3.07Å; E621-R625 PolarHBondContact OE1-NH2 3.15Å; E621-R625 IonicContact OE2-NH2 2.71Å; V622-R625 PolarHBondContact O-N 3.46Å; M623-R625 PolarHBondContact O-N 3.29Å; R625-R628 PolarHBondContact O-N 3.33Å; R625-I629 WeakPolarHBondContact O-CG1 3.46Å; R625-I629 PolarHBondContact O-N 3.1Å; R625-I629 VanDerWaalsContact O-N 3.15Å |
| 626 | L | 45.4 | Very low | 49.2 | Very low | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 174.6 | -75.3 | 167.9 | 0 | 0 | 0 | 111.7 | V622 M623 R628 I629 E630 | V622-L626 HydrophobicContact CG1-CD1 4.24Å; V622-L626 WeakPolarHBondContact O-CG 3.38Å; V622-L626 PolarHBondContact O-N 2.94Å; M623-L626 PolarHBondContact O-N 2.9Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 2.95Å; L626-I629 WeakPolarHBondContact O-CA 3.35Å; L626-I629 WeakPolarHBondContact O-CB 3.2Å; L626-I629 PolarHBondContact O-N 2.83Å; L626-E630 PolarHBondContact O-N 2.87Å |
| 627 | Q | 51.3 | Low | 49.6 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.6 | -35.8 | 176.7 | -162.7 | 171.7 | 15.5 | 0 | 0 | 111.9 | M623 E624 I629 E630 E631 | M623-Q627 PolarHBondContact O-N 2.83Å; E624-Q627 PolarHBondContact O-N 2.94Å; Q627-I629 VanDerWaalsContact C-N 3.26Å; Q627-I629 PolarHBondContact O-N 2.86Å; Q627-E630 PolarHBondContact O-N 3.34Å; Q627-E631 PolarHBondContact O-N 3.35Å |
| 628 | R | 54.8 | Low | 49.8 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -16.4 | 170.9 | -76.1 | -173.9 | -89.6 | 141.7 | -9.9 | 114.1 | E624 R625 L626 K632 | E624-R628 WeakPolarHBondContact O-CB 3.35Å; E624-R628 VanDerWaalsContact O-CG 3.3Å; E624-R628 WeakPolarHBondContact O-CG 3.41Å; E624-R628 PolarHBondContact O-N 2.84Å; E624-R628 PolarHBondContact O-NE 2.82Å; E624-R628 IonicContact OE2-CZ 2.7Å; E624-R628 IonicContact OE2-NE 2.59Å; E624-R628 PolarHBondContact OE2-NE 2.94Å; E624-R628 IonicContact OE2-NH2 3.98Å; E624-R628 PolarHBondContact OE2-NH2 2.93Å; R625-R628 PolarHBondContact O-N 3.33Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 2.95Å; R628-K632 WeakPolarHBondContact O-CG 3.44Å |
| 629 | I | 47.9 | Very low | 50 | Low | 101 Ų | 101 | 108.4 Ų | 108.4 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -86.3 | -47.6 | 171.6 | -69.7 | 163.5 | 0 | 0 | 0 | 110 | R625 L626 Q627 E631 K632 E633 | R625-I629 WeakPolarHBondContact O-CG1 3.46Å; R625-I629 PolarHBondContact O-N 3.1Å; R625-I629 VanDerWaalsContact O-N 3.15Å; L626-I629 WeakPolarHBondContact O-CA 3.35Å; L626-I629 WeakPolarHBondContact O-CB 3.2Å; L626-I629 PolarHBondContact O-N 2.83Å; Q627-I629 VanDerWaalsContact C-N 3.26Å; Q627-I629 PolarHBondContact O-N 2.86Å; I629-E631 VanDerWaalsContact C-N 3.29Å; I629-E631 PolarHBondContact O-N 2.85Å; I629-K632 WeakPolarHBondContact O-CA 3.22Å; I629-K632 WeakPolarHBondContact O-CB 3.34Å; I629-K632 PolarHBondContact O-N 3.1Å; I629-E633 PolarHBondContact O-N 2.9Å |
| 630 | E | 45.7 | Very low | 50.1 | Low | 130 Ų | 130 | 107.7 Ų | 107.7 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57 | -41.2 | 174.7 | -69 | -171.4 | 142.1 | 0 | 0 | 111.9 | L626 Q627 K632 E633 M634 | L626-E630 PolarHBondContact O-N 2.87Å; Q627-E630 PolarHBondContact O-N 3.34Å; E630-K632 VanDerWaalsContact C-N 3.26Å; E630-K632 PolarHBondContact O-N 2.84Å; E630-E633 PolarHBondContact O-N 2.81Å; E630-M634 WeakPolarHBondContact O-CB 3.44Å; E630-M634 PolarHBondContact O-N 2.82Å |
| 631 | E | 55.4 | Low | 50.5 | Low | 104 Ų | 104 | 108.4 Ų | 108.4 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.5 | -35.9 | 172.9 | -90 | -151.7 | 176.4 | 0 | 0 | 113.2 | Q627 I629 K635 | Q627-E631 PolarHBondContact O-N 3.35Å; I629-E631 VanDerWaalsContact C-N 3.29Å; I629-E631 PolarHBondContact O-N 2.85Å; E631-K635 WeakPolarHBondContact O-CB 3.23Å; E631-K635 WeakPolarHBondContact O-CD 3.49Å; E631-K635 WeakPolarHBondContact O-CG 3.39Å; E631-K635 PolarHBondContact O-N 2.75Å; E631-K635 IonicContact OE2-NZ 2.81Å; E631-K635 PolarHBondContact OE2-NZ 3.27Å |
| 632 | K | 53.6 | Low | 50.9 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 64% | 0.643 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.3 | -39.7 | 179.3 | -73.7 | 174.3 | -178.5 | 179.3 | 0 | 111.3 | R628 I629 E630 K635 A636 | R628-K632 WeakPolarHBondContact O-CG 3.44Å; I629-K632 WeakPolarHBondContact O-CA 3.22Å; I629-K632 WeakPolarHBondContact O-CB 3.34Å; I629-K632 PolarHBondContact O-N 3.1Å; E630-K632 VanDerWaalsContact C-N 3.26Å; E630-K632 PolarHBondContact O-N 2.84Å; K632-K635 PolarHBondContact O-N 2.8Å; K632-A636 WeakPolarHBondContact O-CB 3.27Å; K632-A636 PolarHBondContact O-N 2.87Å |
| 633 | E | 45 | Very low | 50.9 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -39.8 | 174.3 | -170.3 | 169.5 | -174.7 | 0 | 0 | 111.5 | I629 E630 K635 A636 T637 | I629-E633 PolarHBondContact O-N 2.9Å; E630-E633 PolarHBondContact O-N 2.81Å; E633-K635 PolarHBondContact O-N 3.44Å; E633-A636 PolarHBondContact O-N 2.93Å; E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 WeakPolarHBondContact O-CG2 3.21Å; E633-T637 PolarHBondContact O-N 3.43Å; E633-T637 PolarHBondContact O-OG1 2.9Å |
| 634 | M | 53.7 | Low | 51.4 | Low | 134 Ų | 134 | 109.6 Ų | 109.6 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.6 | -37.2 | 173.1 | -165.5 | -176.3 | -61.3 | 0 | 0 | 112.5 | E630 T637 K638 | E630-M634 WeakPolarHBondContact O-CB 3.44Å; E630-M634 PolarHBondContact O-N 2.82Å; M634-T637 WeakPolarHBondContact CA-OG1 3.27Å; M634-T637 PolarHBondContact O-OG1 2.97Å; M634-T637 VanDerWaalsContact O-OG1 3.12Å; M634-K638 VanDerWaalsContact O-CB 3.26Å; M634-K638 WeakPolarHBondContact O-CB 3.38Å; M634-K638 PolarHBondContact O-N 2.87Å |
| 635 | K | 54.6 | Low | 51.8 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 53% | 0.53 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 174.2 | -72.9 | 159.9 | -164.8 | 166.6 | 0 | 111.9 | E631 K632 E633 C639 | E631-K635 WeakPolarHBondContact O-CB 3.23Å; E631-K635 WeakPolarHBondContact O-CD 3.49Å; E631-K635 WeakPolarHBondContact O-CG 3.39Å; E631-K635 PolarHBondContact O-N 2.75Å; E631-K635 IonicContact OE2-NZ 2.81Å; E631-K635 PolarHBondContact OE2-NZ 3.27Å; K632-K635 PolarHBondContact O-N 2.8Å; E633-K635 PolarHBondContact O-N 3.44Å; K635-C639 WeakPolarHBondContact O-CB 3.37Å; K635-C639 PolarHBondContact O-N 2.85Å |
| 636 | A | 45.2 | Very low | 52.1 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K632 E633 C639 L640 | K632-A636 WeakPolarHBondContact O-CB 3.27Å; K632-A636 PolarHBondContact O-N 2.87Å; E633-A636 PolarHBondContact O-N 2.93Å; A636-C639 PolarHBondContact O-N 3.32Å; A636-L640 WeakPolarHBondContact O-CB 3.12Å; A636-L640 PolarHBondContact O-N 3.39Å |
| 637 | T | 51.3 | Low | 52.3 | Low | 72 Ų | 72 | 107 Ų | 107 | 44% | 0.442 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.3 | 46 | 0 | 0 | 0 | 0 | 111.9 | E633 M634 C639 L640 D641 | E633-T637 WeakPolarHBondContact O-CB 3.48Å; E633-T637 WeakPolarHBondContact O-CG2 3.21Å; E633-T637 PolarHBondContact O-N 3.43Å; E633-T637 PolarHBondContact O-OG1 2.9Å; M634-T637 WeakPolarHBondContact CA-OG1 3.27Å; M634-T637 PolarHBondContact O-OG1 2.97Å; M634-T637 VanDerWaalsContact O-OG1 3.12Å; T637-C639 PolarHBondContact O-N 3.07Å; T637-L640 PolarHBondContact O-N 2.67Å; T637-D641 PolarHBondContact O-N 3.21Å |
| 638 | K | 58.5 | Low | 52.9 | Low | 136 Ų | 136 | 107.3 Ų | 107.3 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.6 | -47.5 | 172.6 | -174.7 | -176.9 | 175.2 | -174.2 | 0 | 112.2 | M634 L640 D641 D642 | M634-K638 VanDerWaalsContact O-CB 3.26Å; M634-K638 WeakPolarHBondContact O-CB 3.38Å; M634-K638 PolarHBondContact O-N 2.87Å; K638-L640 PolarHBondContact O-N 3.2Å; K638-D641 PolarHBondContact O-N 2.71Å; K638-D641 VanDerWaalsContact O-N 3.13Å; K638-D642 PolarHBondContact O-N 3.07Å |
| 639 | C | 47.4 | Very low | 53.2 | Low | 73 Ų | 73 | 103.5 Ų | 103.5 | 49% | 0.493 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -35.4 | 178.6 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | K635 A636 T637 L643 | K635-C639 WeakPolarHBondContact O-CB 3.37Å; K635-C639 PolarHBondContact O-N 2.85Å; A636-C639 PolarHBondContact O-N 3.32Å; T637-C639 PolarHBondContact O-N 3.07Å; C639-L643 WeakPolarHBondContact O-CB 3.12Å; C639-L643 PolarHBondContact O-N 2.73Å |
| 640 | L | 47.2 | Very low | 53.3 | Low | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.3 | -31.4 | 176 | -173.8 | 138 | 0 | 0 | 0 | 112.9 | A636 T637 K638 K644 | A636-L640 WeakPolarHBondContact O-CB 3.12Å; A636-L640 PolarHBondContact O-N 3.39Å; T637-L640 PolarHBondContact O-N 2.67Å; K638-L640 PolarHBondContact O-N 3.2Å; L640-K644 VanDerWaalsContact CD2-NZ 3.33Å; L640-K644 WeakPolarHBondContact O-CG 3.34Å; L640-K644 PolarHBondContact O-N 3.46Å |
| 641 | D | 55.7 | Low | 53.6 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.9 | -36.2 | 171.1 | -80.8 | -16.2 | 0 | 0 | 0 | 113.1 | T637 K638 L643 K644 G645 | T637-D641 PolarHBondContact O-N 3.21Å; K638-D641 PolarHBondContact O-N 2.71Å; K638-D641 VanDerWaalsContact O-N 3.13Å; D641-L643 VanDerWaalsContact C-N 3.28Å; D641-L643 PolarHBondContact O-N 2.81Å; D641-K644 WeakPolarHBondContact O-CB 3.21Å; D641-K644 PolarHBondContact O-N 3.03Å; D641-K644 WeakPolarHBondContact OD1-CD 3.37Å; D641-K644 WeakPolarHBondContact OD1-CE 3.24Å; D641-K644 IonicContact OD1-NZ 3.11Å; D641-K644 PolarHBondContact OD1-NZ 3.33Å; D641-G645 PolarHBondContact O-N 3.42Å |
| 642 | D | 56.9 | Low | 53.4 | Low | 86 Ų | 86 | 100.7 Ų | 100.7 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 170 | -74.6 | -35.7 | 0 | 0 | 0 | 110.3 | K638 G645 I646 | K638-D642 PolarHBondContact O-N 3.07Å; D642-G645 PolarHBondContact O-N 2.78Å; D642-I646 WeakPolarHBondContact O-CG1 3.32Å; D642-I646 PolarHBondContact O-N 3.02Å |
| 643 | L | 46.7 | Very low | 53.2 | Low | 109 Ų | 109 | 103.4 Ų | 103.4 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 171.9 | -88.3 | 165.7 | 0 | 0 | 0 | 113.1 | C639 D641 G645 I646 L647 | C639-L643 WeakPolarHBondContact O-CB 3.12Å; C639-L643 PolarHBondContact O-N 2.73Å; D641-L643 VanDerWaalsContact C-N 3.28Å; D641-L643 PolarHBondContact O-N 2.81Å; L643-G645 VanDerWaalsContact C-N 3.29Å; L643-G645 PolarHBondContact O-N 3.49Å; L643-I646 PolarHBondContact O-N 2.94Å; L643-L647 WeakPolarHBondContact O-CB 3.3Å; L643-L647 PolarHBondContact O-N 2.83Å |
| 644 | K | 58.4 | Low | 53.2 | Low | 117 Ų | 117 | 104.1 Ų | 104.1 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 172.3 | -68.1 | 168.8 | -160.6 | 159.2 | 0 | 111.2 | L640 D641 L647 K648 | L640-K644 VanDerWaalsContact CD2-NZ 3.33Å; L640-K644 WeakPolarHBondContact O-CG 3.34Å; L640-K644 PolarHBondContact O-N 3.46Å; D641-K644 WeakPolarHBondContact O-CB 3.21Å; D641-K644 PolarHBondContact O-N 3.03Å; D641-K644 WeakPolarHBondContact OD1-CD 3.37Å; D641-K644 WeakPolarHBondContact OD1-CE 3.24Å; D641-K644 IonicContact OD1-NZ 3.11Å; D641-K644 PolarHBondContact OD1-NZ 3.33Å; K644-L647 PolarHBondContact O-N 2.95Å; K644-K648 WeakPolarHBondContact O-CB 3.39Å; K644-K648 PolarHBondContact O-N 3.11Å |
| 645 | G | 63.2 | Low | 52.8 | Low | 41 Ų | 41 | 101.2 Ų | 101.2 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D641 D642 L643 K648 A649 | D641-G645 PolarHBondContact O-N 3.42Å; D642-G645 PolarHBondContact O-N 2.78Å; L643-G645 VanDerWaalsContact C-N 3.29Å; L643-G645 PolarHBondContact O-N 3.49Å; G645-K648 PolarHBondContact O-N 3.45Å; G645-A649 VanDerWaalsContact O-CB 3.3Å; G645-A649 WeakPolarHBondContact O-CB 3.2Å; G645-A649 PolarHBondContact O-N 2.84Å |
| 646 | I | 57 | Low | 52.2 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.9 | -69 | 163.7 | 0 | 0 | 0 | 110.9 | D642 L643 K648 A649 A650 | D642-I646 WeakPolarHBondContact O-CG1 3.32Å; D642-I646 PolarHBondContact O-N 3.02Å; L643-I646 PolarHBondContact O-N 2.94Å; I646-K648 VanDerWaalsContact C-N 3.34Å; I646-K648 PolarHBondContact O-N 3.44Å; I646-A649 PolarHBondContact O-N 2.63Å; I646-A650 WeakPolarHBondContact O-CB 3.45Å; I646-A650 PolarHBondContact O-N 3.11Å |
| 647 | L | 48.4 | Very low | 52 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 71% | 0.707 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -41.7 | 179.5 | -161.6 | 78.3 | 0 | 0 | 0 | 111.8 | L643 K644 N651 | L643-L647 WeakPolarHBondContact O-CB 3.3Å; L643-L647 PolarHBondContact O-N 2.83Å; K644-L647 PolarHBondContact O-N 2.95Å; L647-N651 PolarHBondContact O-N 3.1Å; L647-N651 VanDerWaalsContact O-N 3.14Å |
| 648 | K | 64.3 | Low | 51.4 | Low | 133 Ų | 133 | 107.7 Ų | 107.7 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.1 | -46.3 | 175.4 | -174.5 | 176.6 | 173.7 | -176.7 | 0 | 111.6 | K644 G645 I646 A650 N651 E652 | K644-K648 WeakPolarHBondContact O-CB 3.39Å; K644-K648 PolarHBondContact O-N 3.11Å; G645-K648 PolarHBondContact O-N 3.45Å; I646-K648 VanDerWaalsContact C-N 3.34Å; I646-K648 PolarHBondContact O-N 3.44Å; K648-A650 VanDerWaalsContact C-N 3.31Å; K648-A650 PolarHBondContact O-N 2.87Å; K648-N651 PolarHBondContact O-N 3.29Å; K648-E652 WeakPolarHBondContact CE-OE1 3.32Å; K648-E652 WeakPolarHBondContact O-CG 3.19Å; K648-E652 PolarHBondContact O-N 3.16Å |
| 649 | A | 60.6 | Low | 50.4 | Low | 35 Ų | 35 | 108 Ų | 108 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.6 | -32.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | G645 I646 R653 | G645-A649 VanDerWaalsContact O-CB 3.3Å; G645-A649 WeakPolarHBondContact O-CB 3.2Å; G645-A649 PolarHBondContact O-N 2.84Å; I646-A649 PolarHBondContact O-N 2.63Å; A649-R653 VanDerWaalsContact O-CB 3.3Å; A649-R653 WeakPolarHBondContact O-CB 3.4Å; A649-R653 WeakPolarHBondContact O-CG 3.2Å; A649-R653 PolarHBondContact O-N 3.13Å |
| 650 | A | 51.1 | Low | 50.1 | Low | 53 Ų | 53 | 107.5 Ų | 107.5 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.7 | -48.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I646 K648 E652 R653 Q654 | I646-A650 WeakPolarHBondContact O-CB 3.45Å; I646-A650 PolarHBondContact O-N 3.11Å; K648-A650 VanDerWaalsContact C-N 3.31Å; K648-A650 PolarHBondContact O-N 2.87Å; A650-E652 VanDerWaalsContact C-N 3.34Å; A650-E652 PolarHBondContact O-N 3.36Å; A650-R653 PolarHBondContact O-N 3.46Å; A650-Q654 PolarHBondContact O-N 3.05Å; A650-Q654 VanDerWaalsContact O-N 3.07Å |
| 651 | N | 51.7 | Low | 50 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.7 | -39.6 | 177.5 | -165.4 | 19.7 | 0 | 0 | 0 | 112 | L647 K648 | L647-N651 PolarHBondContact O-N 3.1Å; L647-N651 VanDerWaalsContact O-N 3.14Å; K648-N651 PolarHBondContact O-N 3.29Å |
| 652 | E | 52.1 | Low | 49.4 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.1 | -41.1 | 175.9 | -72.9 | 172.9 | -176.7 | 0 | 0 | 112.4 | K648 A650 Q654 S655 | K648-E652 WeakPolarHBondContact CE-OE1 3.32Å; K648-E652 WeakPolarHBondContact O-CG 3.19Å; K648-E652 PolarHBondContact O-N 3.16Å; A650-E652 VanDerWaalsContact C-N 3.34Å; A650-E652 PolarHBondContact O-N 3.36Å; E652-Q654 VanDerWaalsContact C-N 3.32Å; E652-Q654 PolarHBondContact O-N 3.47Å; E652-S655 WeakPolarHBondContact O-CB 3.46Å; E652-S655 PolarHBondContact O-N 2.7Å; E652-S655 PolarHBondContact O-OG 2.88Å |
| 653 | R | 49 | Very low | 48.7 | Very low | 206 Ų | 206 | 114.1 Ų | 114.1 | 78% | 0.777 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -30.5 | 177.1 | -77.1 | 172.3 | 179.2 | 177.8 | 1 | 113.4 | A649 A650 S655 | A649-R653 VanDerWaalsContact O-CB 3.3Å; A649-R653 WeakPolarHBondContact O-CB 3.4Å; A649-R653 WeakPolarHBondContact O-CG 3.2Å; A649-R653 PolarHBondContact O-N 3.13Å; A650-R653 PolarHBondContact O-N 3.46Å; R653-S655 PolarHBondContact O-N 2.86Å |
| 654 | Q | 43.7 | Very low | 48.7 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -75.8 | -5.2 | 180 | -151.8 | 170.5 | 18.9 | 0 | 0 | 113.8 | A650 E652 N656 | A650-Q654 PolarHBondContact O-N 3.05Å; A650-Q654 VanDerWaalsContact O-N 3.07Å; E652-Q654 VanDerWaalsContact C-N 3.32Å; E652-Q654 PolarHBondContact O-N 3.47Å; Q654-N656 VanDerWaalsContact C-N 3.34Å; Q654-N656 PolarHBondContact O-N 2.91Å |
| 655 | S | 45 | Very low | 48 | Very low | 73 Ų | 73 | 113 Ų | 113 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -71.6 | -22 | 179.3 | 65.3 | 0 | 0 | 0 | 0 | 114.9 | E652 R653 | E652-S655 WeakPolarHBondContact O-CB 3.46Å; E652-S655 PolarHBondContact O-N 2.7Å; E652-S655 PolarHBondContact O-OG 2.88Å; R653-S655 PolarHBondContact O-N 2.86Å |
| 656 | N | 42.6 | Very low | 46.9 | Very low | 142 Ų | 142 | 113.7 Ų | 113.7 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -106.5 | 4.9 | -165.2 | -74.1 | -28.1 | 0 | 0 | 0 | 115.6 | Q654 | Q654-N656 VanDerWaalsContact C-N 3.34Å; Q654-N656 PolarHBondContact O-N 2.91Å |
| 657 | V | 40.8 | Very low | 46.3 | Very low | 106 Ų | 106 | 115.3 Ų | 115.3 | 64% | 0.642 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -137.2 | 118.5 | -173.6 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 658 | L | 38.6 | Very low | 46.2 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 68.5 | 97.9 | 162.8 | -65.1 | 168.2 | 0 | 0 | 0 | 120.6 | ||
| 659 | N | 38 | Very low | 45.2 | Very low | 144 Ų | 144 | 109.8 Ų | 109.8 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | 46.6 | 81.5 | 129.3 | -62.7 | -3.1 | 0 | 0 | 0 | 121.5 | K661 | N659-K661 PolarHBondContact O-N 3.41Š| |||
| 660 | G | 41.7 | Very low | 44.4 | Very low | 62 Ų | 62 | 110.4 Ų | 110.4 | 64% | 0.639 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | 78.5 | -11.3 | 103.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||
| 661 | K | 43.9 | Very low | 44.1 | Very low | 180 Ų | 180 | 110.7 Ų | 110.7 | 78% | 0.783 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | -51.5 | 168 | -82.5 | -169.3 | 173.3 | -176.7 | 0 | 113.7 | N659 Q663 L664 | N659-K661 PolarHBondContact O-N 3.41Å; K661-Q663 PolarHBondContact O-N 2.78Å; K661-Q663 VanDerWaalsContact O-N 3.13Å; K661-L664 PolarHBondContact O-N 3.06Å |
| 662 | D | 43.9 | Very low | 43.8 | Very low | 130 Ų | 130 | 108.1 Ų | 108.1 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -19.3 | 178.6 | -52.7 | -54.5 | 0 | 0 | 0 | 112.4 | L664 A665 A666 | D662-L664 PolarHBondContact O-N 3.27Å; D662-A665 PolarHBondContact O-N 2.86Å; D662-A665 VanDerWaalsContact O-N 3.1Å; D662-A666 WeakPolarHBondContact O-CB 3.4Å; D662-A666 PolarHBondContact O-N 2.92Å |
| 663 | Q | 43 | Very low | 43.2 | Very low | 104 Ų | 104 | 106.2 Ų | 106.2 | 49% | 0.486 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.4 | -24.7 | 176.5 | -159.4 | 176.6 | 57 | 0 | 0 | 113.6 | K661 K667 | K661-Q663 PolarHBondContact O-N 2.78Å; K661-Q663 VanDerWaalsContact O-N 3.13Å; Q663-K667 VanDerWaalsContact O-CB 3.3Å; Q663-K667 WeakPolarHBondContact O-CB 3.22Å; Q663-K667 WeakPolarHBondContact O-CG 3.44Å; Q663-K667 PolarHBondContact O-N 3.02Å; Q663-K667 VanDerWaalsContact O-N 3.14Å |
| 664 | L | 46.1 | Very low | 42.8 | Very low | 143 Ų | 143 | 102.1 Ų | 102.1 | 75% | 0.749 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.7 | -42.3 | 172 | -98 | 164.3 | 0 | 0 | 0 | 111.7 | K661 D662 A668 | K661-L664 PolarHBondContact O-N 3.06Å; D662-L664 PolarHBondContact O-N 3.27Å; L664-A668 WeakPolarHBondContact O-CB 3.3Å; L664-A668 PolarHBondContact O-N 3.28Å |
| 665 | A | 43.1 | Very low | 42.9 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.2 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D662 K667 A668 V669 | D662-A665 PolarHBondContact O-N 2.86Å; D662-A665 VanDerWaalsContact O-N 3.1Å; A665-K667 PolarHBondContact O-N 3.4Å; A665-A668 PolarHBondContact O-N 2.96Å; A665-V669 WeakPolarHBondContact O-CG2 3.29Å; A665-V669 PolarHBondContact O-N 3.28Å |
| 666 | A | 39.7 | Very low | 42.6 | Very low | 56 Ų | 56 | 99.2 Ų | 99.2 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D662 V669 A670 | D662-A666 WeakPolarHBondContact O-CB 3.4Å; D662-A666 PolarHBondContact O-N 2.92Å; A666-V669 PolarHBondContact O-N 3.33Å; A666-A670 VanDerWaalsContact O-CB 3.3Å; A666-A670 WeakPolarHBondContact O-CB 3.45Å; A666-A670 PolarHBondContact O-N 3.16Å |
| 667 | K | 45 | Very low | 42.2 | Very low | 148 Ų | 148 | 98.4 Ų | 98.4 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.2 | -36.8 | 171.8 | -83.4 | -172.6 | 171.2 | 180 | 0 | 112.6 | Q663 A665 S671 | Q663-K667 VanDerWaalsContact O-CB 3.3Å; Q663-K667 WeakPolarHBondContact O-CB 3.22Å; Q663-K667 WeakPolarHBondContact O-CG 3.44Å; Q663-K667 PolarHBondContact O-N 3.02Å; Q663-K667 VanDerWaalsContact O-N 3.14Å; A665-K667 PolarHBondContact O-N 3.4Å; K667-S671 WeakPolarHBondContact O-CA 3.39Å; K667-S671 WeakPolarHBondContact O-CB 3.43Å; K667-S671 PolarHBondContact O-N 2.89Å |
| 668 | A | 46.9 | Very low | 42 | Very low | 59 Ų | 59 | 96.3 Ų | 96.3 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L664 A665 A672 | L664-A668 WeakPolarHBondContact O-CB 3.3Å; L664-A668 PolarHBondContact O-N 3.28Å; A665-A668 PolarHBondContact O-N 2.96Å; A668-A672 WeakPolarHBondContact O-CB 3.45Å; A668-A672 PolarHBondContact O-N 3.12Å |
| 669 | V | 42.9 | Very low | 41.8 | Very low | 93 Ų | 93 | 91.9 Ų | 91.9 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.5 | -48.7 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A665 A666 S671 A672 V673 | A665-V669 WeakPolarHBondContact O-CG2 3.29Å; A665-V669 PolarHBondContact O-N 3.28Å; A666-V669 PolarHBondContact O-N 3.33Å; V669-S671 VanDerWaalsContact C-N 3.32Å; V669-S671 PolarHBondContact O-N 3.02Å; V669-A672 PolarHBondContact O-N 3.4Å; V669-V673 HydrophobicContact CG1-CG2 4.24Å; V669-V673 WeakPolarHBondContact O-CB 3.42Å; V669-V673 VanDerWaalsContact O-CG2 3.27Å; V669-V673 WeakPolarHBondContact O-CG2 3.32Å; V669-V673 PolarHBondContact O-N 3.06Å |
| 670 | A | 44.2 | Very low | 41.9 | Very low | 48 Ų | 48 | 89.2 Ų | 89.2 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A666 M674 | A666-A670 VanDerWaalsContact O-CB 3.3Å; A666-A670 WeakPolarHBondContact O-CB 3.45Å; A666-A670 PolarHBondContact O-N 3.16Å; A670-M674 WeakPolarHBondContact O-CB 3.34Å; A670-M674 PolarHBondContact O-N 2.86Å |
| 671 | S | 44.7 | Very low | 41.5 | Very low | 60 Ų | 60 | 93.3 Ų | 93.3 | 42% | 0.42 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 172.3 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | K667 V669 V673 N675 | K667-S671 WeakPolarHBondContact O-CA 3.39Å; K667-S671 WeakPolarHBondContact O-CB 3.43Å; K667-S671 PolarHBondContact O-N 2.89Å; V669-S671 VanDerWaalsContact C-N 3.32Å; V669-S671 PolarHBondContact O-N 3.02Å; S671-V673 VanDerWaalsContact C-N 3.33Å; S671-V673 PolarHBondContact O-N 3.14Å; S671-N675 WeakPolarHBondContact O-CB 3.44Å; S671-N675 PolarHBondContact O-N 3.18Å; S671-N675 PolarHBondContact O-ND2 3.36Å; S671-N675 PolarHBondContact OG-ND2 3.32Å; S671-N675 VanDerWaalsContact OG-ND2 3.14Å |
| 672 | A | 44.3 | Very low | 41.1 | Very low | 57 Ų | 57 | 88 Ų | 88 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A668 V669 A676 | A668-A672 WeakPolarHBondContact O-CB 3.45Å; A668-A672 PolarHBondContact O-N 3.12Å; V669-A672 PolarHBondContact O-N 3.4Å; A672-A676 WeakPolarHBondContact O-CA 3.38Å; A672-A676 WeakPolarHBondContact O-CB 3.35Å; A672-A676 PolarHBondContact O-N 3.17Å |
| 673 | V | 39.8 | Very low | 40.7 | Very low | 71 Ų | 71 | 82.8 Ų | 82.8 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.1 | -43.5 | 177 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | V669 S671 A676 M677 | V669-V673 HydrophobicContact CG1-CG2 4.24Å; V669-V673 WeakPolarHBondContact O-CB 3.42Å; V669-V673 VanDerWaalsContact O-CG2 3.27Å; V669-V673 WeakPolarHBondContact O-CG2 3.32Å; V669-V673 PolarHBondContact O-N 3.06Å; S671-V673 VanDerWaalsContact C-N 3.33Å; S671-V673 PolarHBondContact O-N 3.14Å; V673-A676 PolarHBondContact O-N 2.9Å; V673-M677 HydrophobicContact CG1-CE 3.43Å; V673-M677 VanDerWaalsContact CG1-CE 3.43Å; V673-M677 PolarHBondContact O-N 3.19Å |
| 674 | M | 41.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 83.3 Ų | 83.3 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -39.8 | 171.8 | -84.6 | -169.8 | -80.7 | 0 | 0 | 112.5 | A670 M677 A678 | A670-M674 WeakPolarHBondContact O-CB 3.34Å; A670-M674 PolarHBondContact O-N 2.86Å; M674-M677 PolarHBondContact O-N 3.16Å; M674-A678 VanDerWaalsContact O-CB 3.31Å; M674-A678 WeakPolarHBondContact O-CB 3.2Å; M674-A678 PolarHBondContact O-N 3.16Å |
| 675 | N | 45.2 | Very low | 39.8 | Very low | 98 Ų | 98 | 79.4 Ų | 79.4 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 173.8 | -77 | -62.8 | 0 | 0 | 0 | 112 | S671 A679 | S671-N675 WeakPolarHBondContact O-CB 3.44Å; S671-N675 PolarHBondContact O-N 3.18Å; S671-N675 PolarHBondContact O-ND2 3.36Å; S671-N675 PolarHBondContact OG-ND2 3.32Å; S671-N675 VanDerWaalsContact OG-ND2 3.14Å; N675-A679 WeakPolarHBondContact O-CA 3.25Å; N675-A679 WeakPolarHBondContact O-CB 3.36Å; N675-A679 PolarHBondContact O-N 3.43Å |
| 676 | A | 38.5 | Very low | 39.6 | Very low | 60 Ų | 60 | 83.6 Ų | 83.6 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | A672 V673 S680 | A672-A676 WeakPolarHBondContact O-CA 3.38Å; A672-A676 WeakPolarHBondContact O-CB 3.35Å; A672-A676 PolarHBondContact O-N 3.17Å; V673-A676 PolarHBondContact O-N 2.9Å; A676-S680 WeakPolarHBondContact O-CB 3.41Å; A676-S680 PolarHBondContact O-N 3.33Å |
| 677 | M | 34.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 84.4 Ų | 84.4 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -51.1 | 173.3 | -73.6 | -170.1 | -106.6 | 0 | 0 | 111.7 | V673 M674 A679 S680 | V673-M677 HydrophobicContact CG1-CE 3.43Å; V673-M677 VanDerWaalsContact CG1-CE 3.43Å; V673-M677 PolarHBondContact O-N 3.19Å; M674-M677 PolarHBondContact O-N 3.16Å; M677-A679 VanDerWaalsContact C-N 3.34Å; M677-A679 PolarHBondContact O-N 3.44Å; M677-S680 WeakPolarHBondContact O-CB 3.38Å; M677-S680 PolarHBondContact O-N 3.5Å |
| 678 | A | 36.2 | Very low | 39 | Very low | 62 Ų | 62 | 80.2 Ų | 80.2 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.5 | -26.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | M674 | M674-A678 VanDerWaalsContact O-CB 3.31Å; M674-A678 WeakPolarHBondContact O-CB 3.2Å; M674-A678 PolarHBondContact O-N 3.16Å |
| 679 | A | 36.3 | Very low | 38.6 | Very low | 49 Ų | 49 | 82.9 Ų | 82.9 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -91.1 | -13.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N675 M677 N682 G683 | N675-A679 WeakPolarHBondContact O-CA 3.25Å; N675-A679 WeakPolarHBondContact O-CB 3.36Å; N675-A679 PolarHBondContact O-N 3.43Å; M677-A679 VanDerWaalsContact C-N 3.34Å; M677-A679 PolarHBondContact O-N 3.44Å; A679-N682 PolarHBondContact O-N 3.03Å; A679-G683 WeakPolarHBondContact O-CA 3.36Å; A679-G683 PolarHBondContact O-N 2.97Å |
| 680 | S | 38.9 | Very low | 38.7 | Very low | 88 Ų | 88 | 86.1 Ų | 86.1 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -49.5 | 172.7 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | A676 M677 N682 | A676-S680 WeakPolarHBondContact O-CB 3.41Å; A676-S680 PolarHBondContact O-N 3.33Å; M677-S680 WeakPolarHBondContact O-CB 3.38Å; M677-S680 PolarHBondContact O-N 3.5Å; S680-N682 PolarHBondContact O-N 2.8Å; S680-N682 VanDerWaalsContact O-N 3.15Å |
| 681 | E | 33.8 | Very low | 38.3 | Very low | 148 Ų | 148 | 89.8 Ų | 89.8 | 69% | 0.692 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -24.4 | -179.7 | -64.1 | -171.3 | 132.4 | 0 | 0 | 114.2 | ||
| 682 | N | 35.9 | Very low | 37.9 | Very low | 68 Ų | 68 | 89.6 Ų | 89.6 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -133.5 | -13.2 | -164.8 | -79.6 | -83.9 | 0 | 0 | 0 | 115.2 | A679 S680 R686 | A679-N682 PolarHBondContact O-N 3.03Å; S680-N682 PolarHBondContact O-N 2.8Å; S680-N682 VanDerWaalsContact O-N 3.15Å; N682-R686 WeakPolarHBondContact O-CB 3.42Å; N682-R686 WeakPolarHBondContact O-CG 3.15Å; N682-R686 PolarHBondContact O-N 3.31Å; N682-R686 PolarHBondContact O-NH1 3.34Å; N682-R686 VanDerWaalsContact O-NH1 3.08Å |
| 683 | G | 34 | Very low | 37.8 | Very low | 22 Ų | 22 | 91.8 Ų | 91.8 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -80.3 | -58.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A679 V685 R686 T687 | A679-G683 WeakPolarHBondContact O-CA 3.36Å; A679-G683 PolarHBondContact O-N 2.97Å; G683-V685 VanDerWaalsContact C-N 3.3Å; G683-V685 PolarHBondContact O-N 2.94Å; G683-R686 PolarHBondContact O-N 3.03Å; G683-R686 VanDerWaalsContact O-N 3.1Å; G683-T687 PolarHBondContact O-N 3.4Å; G683-T687 PolarHBondContact O-OG1 3.02Å |
| 684 | L | 35.1 | Very low | 38 | Very low | 114 Ų | 114 | 89.9 Ų | 89.9 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.8 | -45.9 | 175.8 | -175.9 | 63.8 | 0 | 0 | 0 | 110.9 | R686 T687 V688 | L684-R686 VanDerWaalsContact C-N 3.33Å; L684-R686 PolarHBondContact O-N 3.18Å; L684-T687 PolarHBondContact O-N 3.12Å; L684-V688 HydrophobicContact CD1-CG2 3.93Å; L684-V688 HydrophobicContact CG-CG2 4.2Å; L684-V688 WeakPolarHBondContact O-CB 3.45Å; L684-V688 WeakPolarHBondContact O-CG2 3.22Å; L684-V688 PolarHBondContact O-N 2.83Å |
| 685 | V | 35.7 | Very low | 37.9 | Very low | 61 Ų | 61 | 86.2 Ų | 86.2 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | G683 K689 | G683-V685 VanDerWaalsContact C-N 3.3Å; G683-V685 PolarHBondContact O-N 2.94Å; V685-K689 WeakPolarHBondContact O-CB 3.28Å; V685-K689 PolarHBondContact O-N 3.28Å |
| 686 | R | 38.4 | Very low | 37.5 | Very low | 148 Ų | 148 | 83.4 Ų | 83.4 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73 | -35.8 | 176.7 | -76.7 | -177.8 | -148.2 | 112.8 | -9.8 | 113.4 | N682 G683 L684 R690 | N682-R686 WeakPolarHBondContact O-CB 3.42Å; N682-R686 WeakPolarHBondContact O-CG 3.15Å; N682-R686 PolarHBondContact O-N 3.31Å; N682-R686 PolarHBondContact O-NH1 3.34Å; N682-R686 VanDerWaalsContact O-NH1 3.08Å; G683-R686 PolarHBondContact O-N 3.03Å; G683-R686 VanDerWaalsContact O-N 3.1Å; L684-R686 VanDerWaalsContact C-N 3.33Å; L684-R686 PolarHBondContact O-N 3.18Å; R686-R690 WeakPolarHBondContact O-CB 3.45Å; R686-R690 PolarHBondContact O-N 3.42Å |
| 687 | T | 38 | Very low | 37.6 | Very low | 72 Ų | 72 | 83.8 Ų | 83.8 | 44% | 0.442 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.7 | -48.4 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | G683 L684 K689 R690 E691 | G683-T687 PolarHBondContact O-N 3.4Å; G683-T687 PolarHBondContact O-OG1 3.02Å; L684-T687 PolarHBondContact O-N 3.12Å; T687-K689 VanDerWaalsContact C-N 3.31Å; T687-K689 PolarHBondContact O-N 2.79Å; T687-R690 WeakPolarHBondContact O-CB 3.17Å; T687-R690 PolarHBondContact O-N 3.1Å; T687-E691 PolarHBondContact O-N 2.63Å |
| 688 | V | 35.3 | Very low | 38 | Very low | 60 Ų | 60 | 83.3 Ų | 83.3 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | L684 R690 E691 V692 | L684-V688 HydrophobicContact CD1-CG2 3.93Å; L684-V688 HydrophobicContact CG-CG2 4.2Å; L684-V688 WeakPolarHBondContact O-CB 3.45Å; L684-V688 WeakPolarHBondContact O-CG2 3.22Å; L684-V688 PolarHBondContact O-N 2.83Å; V688-R690 VanDerWaalsContact C-N 3.3Å; V688-R690 PolarHBondContact O-N 3.35Å; V688-E691 PolarHBondContact O-N 2.91Å; V688-V692 HydrophobicContact CG1-CG2 3.97Å; V688-V692 WeakPolarHBondContact O-CB 3.15Å; V688-V692 WeakPolarHBondContact O-CG2 3.4Å; V688-V692 PolarHBondContact O-N 2.92Å |
| 689 | K | 38.8 | Very low | 38.1 | Very low | 116 Ų | 116 | 83.2 Ų | 83.2 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 174.1 | -179.2 | 170.6 | -179.6 | 172.7 | 0 | 112.4 | V685 T687 Q693 | V685-K689 WeakPolarHBondContact O-CB 3.28Å; V685-K689 PolarHBondContact O-N 3.28Å; T687-K689 VanDerWaalsContact C-N 3.31Å; T687-K689 PolarHBondContact O-N 2.79Å; K689-Q693 HydrophobicContact CG-CG 4.1Å; K689-Q693 VanDerWaalsContact CG-OE1 3.27Å; K689-Q693 WeakPolarHBondContact O-CB 3.5Å; K689-Q693 WeakPolarHBondContact O-CG 3.5Å; K689-Q693 PolarHBondContact O-N 3.19Å |
| 690 | R | 44.1 | Very low | 38.1 | Very low | 160 Ų | 160 | 82.3 Ų | 82.3 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -69.2 | -47.6 | 178.7 | -169.7 | -172.8 | -60.3 | 130.3 | 1.4 | 112.1 | R686 T687 V688 G694 | R686-R690 WeakPolarHBondContact O-CB 3.45Å; R686-R690 PolarHBondContact O-N 3.42Å; T687-R690 WeakPolarHBondContact O-CB 3.17Å; T687-R690 PolarHBondContact O-N 3.1Å; V688-R690 VanDerWaalsContact C-N 3.3Å; V688-R690 PolarHBondContact O-N 3.35Å; R690-G694 WeakPolarHBondContact O-CA 3.48Å; R690-G694 PolarHBondContact O-N 2.9Å |
| 691 | E | 36.1 | Very low | 38.2 | Very low | 126 Ų | 126 | 81.5 Ų | 81.5 | 59% | 0.589 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68 | -46.1 | 179.5 | -71 | -50.1 | 133.3 | 0 | 0 | 111.8 | T687 V688 G694 G695 | T687-E691 PolarHBondContact O-N 2.63Å; V688-E691 PolarHBondContact O-N 2.91Å; E691-G694 PolarHBondContact O-N 3.12Å; E691-G695 PolarHBondContact O-N 2.89Å |
| 692 | V | 37.2 | Very low | 38.7 | Very low | 56 Ų | 56 | 80.8 Ų | 80.8 | 34% | 0.339 | 43% | 0.427 | S | S | . | . | I | π-helix | trans | -62.3 | -47.2 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | V688 G694 L696 F697 | V688-V692 HydrophobicContact CG1-CG2 3.97Å; V688-V692 WeakPolarHBondContact O-CB 3.15Å; V688-V692 WeakPolarHBondContact O-CG2 3.4Å; V688-V692 PolarHBondContact O-N 2.92Å; V692-G694 PolarHBondContact O-N 2.53Å; V692-L696 HydrophobicContact CG1-CB 4.41Å; V692-L696 HydrophobicContact CG1-CD2 4.03Å; V692-L696 WeakPolarHBondContact O-CB 3.31Å; V692-L696 PolarHBondContact O-N 3.19Å; V692-F697 HydrophobicContact CG1-CE2 4.25Å; V692-F697 VanDerWaalsContact O-CD2 3.29Å; V692-F697 WeakPolarHBondContact O-CD2 3.33Å |
| 693 | Q | 40.6 | Very low | 38.9 | Very low | 102 Ų | 102 | 79.7 Ų | 79.7 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -69.9 | -30.8 | 177.9 | -68.3 | -170.1 | -51.4 | 0 | 0 | 113.9 | K689 F697 | K689-Q693 HydrophobicContact CG-CG 4.1Å; K689-Q693 VanDerWaalsContact CG-OE1 3.27Å; K689-Q693 WeakPolarHBondContact O-CB 3.5Å; K689-Q693 WeakPolarHBondContact O-CG 3.5Å; K689-Q693 PolarHBondContact O-N 3.19Å; Q693-F697 HydrophobicContact CG-CE2 4.3Å |
| 694 | G | 44.4 | Very low | 39.1 | Very low | 32 Ų | 32 | 81.7 Ų | 81.7 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | I | π-helix | trans | -81.3 | -60.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R690 E691 V692 Q698 | R690-G694 WeakPolarHBondContact O-CA 3.48Å; R690-G694 PolarHBondContact O-N 2.9Å; E691-G694 PolarHBondContact O-N 3.12Å; V692-G694 PolarHBondContact O-N 2.53Å; G694-Q698 WeakPolarHBondContact O-CG 3.4Å |
| 695 | G | 40.2 | Very low | 39.6 | Very low | 42 Ų | 42 | 81.6 Ų | 81.6 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | I | π-helix | trans | -76.7 | -54.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E691 Q698 A699 | E691-G695 PolarHBondContact O-N 2.89Å; G695-Q698 PolarHBondContact O-N 3.31Å; G695-A699 WeakPolarHBondContact O-CB 3.28Å; G695-A699 PolarHBondContact O-N 3.22Å |
| 696 | L | 35.2 | Very low | 40.1 | Very low | 39 Ų | 39 | 84.6 Ų | 84.6 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | I | π-helix | trans | -66.2 | -46.6 | -167.6 | -154.5 | 74.2 | 0 | 0 | 0 | 112.5 | V692 Q698 A699 M700 V781 | V692-L696 HydrophobicContact CG1-CB 4.41Å; V692-L696 HydrophobicContact CG1-CD2 4.03Å; V692-L696 WeakPolarHBondContact O-CB 3.31Å; V692-L696 PolarHBondContact O-N 3.19Å; L696-Q698 PolarHBondContact O-N 3.11Å; L696-A699 PolarHBondContact O-N 2.82Å; L696-M700 WeakPolarHBondContact O-CB 3.22Å; L696-M700 PolarHBondContact O-N 2.98Å; L696-V781 HydrophobicContact CD1-CG2 4.15Å; L696-V781 HydrophobicContact CD2-CG2 4.27Å |
| 697 | F | 41.4 | Very low | 40.4 | Very low | 68 Ų | 68 | 79.5 Ų | 79.5 | 30% | 0.298 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -33 | 179.8 | -73.2 | -103.2 | 0 | 0 | 0 | 112.7 | V692 Q693 M700 S701 | V692-F697 HydrophobicContact CG1-CE2 4.25Å; V692-F697 VanDerWaalsContact O-CD2 3.29Å; V692-F697 WeakPolarHBondContact O-CD2 3.33Å; Q693-F697 HydrophobicContact CG-CE2 4.3Å; F697-M700 HydrophobicContact CD1-CE 3.72Å; F697-M700 HydrophobicContact CE1-CE 4.06Å; F697-M700 HydrophobicContact CG-CE 4.04Å; F697-S701 VanDerWaalsContact O-CB 3.31Å; F697-S701 WeakPolarHBondContact O-CB 3.31Å; F697-S701 PolarHBondContact O-N 2.92Å; F697-S701 PolarHBondContact O-OG 2.88Å |
| 698 | Q | 42.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 81.4 Ų | 81.4 | 55% | 0.547 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.3 | -39.5 | 175 | -72.7 | -164.7 | 40 | 0 | 0 | 112.3 | G694 G695 L696 K702 | G694-Q698 WeakPolarHBondContact O-CG 3.4Å; G695-Q698 PolarHBondContact O-N 3.31Å; L696-Q698 PolarHBondContact O-N 3.11Å; Q698-K702 VanDerWaalsContact O-CG 3.32Å; Q698-K702 WeakPolarHBondContact O-CG 3.43Å; Q698-K702 PolarHBondContact O-N 3.48Å; Q698-K702 VanDerWaalsContact O-N 3.16Å |
| 699 | A | 37.8 | Very low | 41.7 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G695 L696 S701 K702 M703 | G695-A699 WeakPolarHBondContact O-CB 3.28Å; G695-A699 PolarHBondContact O-N 3.22Å; L696-A699 PolarHBondContact O-N 2.82Å; A699-S701 PolarHBondContact O-N 2.83Å; A699-K702 PolarHBondContact O-N 3.09Å; A699-M703 WeakPolarHBondContact O-CB 3.28Å; A699-M703 PolarHBondContact O-N 3.3Å |
| 700 | M | 36.9 | Very low | 42.1 | Very low | 30 Ų | 30 | 84.3 Ų | 84.3 | 15% | 0.148 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 176.9 | -179.7 | 165.1 | 52.3 | 0 | 0 | 112.1 | L696 F697 K702 M703 L704 L777 | L696-M700 WeakPolarHBondContact O-CB 3.22Å; L696-M700 PolarHBondContact O-N 2.98Å; F697-M700 HydrophobicContact CD1-CE 3.72Å; F697-M700 HydrophobicContact CE1-CE 4.06Å; F697-M700 HydrophobicContact CG-CE 4.04Å; M700-K702 PolarHBondContact O-N 3.02Å; M700-M703 PolarHBondContact O-N 3.04Å; M700-L704 PolarHBondContact O-N 3.04Å; M700-L777 HydrophobicContact CB-CD1 4.4Å; M700-L777 HydrophobicContact CG-CD1 4.13Å; M700-L777 HydrophobicContact SD-CD1 4.34Å; M700-L777 HydrophobicContact SD-CD2 4.26Å |
| 701 | S | 41.2 | Very low | 42.2 | Very low | 72 Ų | 72 | 79.6 Ų | 79.6 | 50% | 0.503 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 176.7 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | F697 A699 M705 | F697-S701 VanDerWaalsContact O-CB 3.31Å; F697-S701 WeakPolarHBondContact O-CB 3.31Å; F697-S701 PolarHBondContact O-N 2.92Å; F697-S701 PolarHBondContact O-OG 2.88Å; A699-S701 PolarHBondContact O-N 2.83Å; S701-M705 WeakPolarHBondContact O-CB 3.45Å; S701-M705 WeakPolarHBondContact O-CG 3.08Å; S701-M705 PolarHBondContact O-N 2.91Å |
| 702 | K | 43.7 | Very low | 43 | Very low | 133 Ų | 133 | 75.5 Ų | 75.5 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.7 | -40.5 | 177.1 | -73.5 | 168.3 | -179.4 | 168.5 | 0 | 111.9 | Q698 A699 M700 M705 N706 | Q698-K702 VanDerWaalsContact O-CG 3.32Å; Q698-K702 WeakPolarHBondContact O-CG 3.43Å; Q698-K702 PolarHBondContact O-N 3.48Å; Q698-K702 VanDerWaalsContact O-N 3.16Å; A699-K702 PolarHBondContact O-N 3.09Å; M700-K702 PolarHBondContact O-N 3.02Å; K702-M705 PolarHBondContact O-N 3.46Å; K702-N706 PolarHBondContact O-N 2.76Å |
| 703 | M | 39 | Very low | 44 | Very low | 44 Ų | 44 | 79.6 Ų | 79.6 | 22% | 0.217 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 177.1 | -175.2 | 169.7 | 168.1 | 0 | 0 | 111.7 | A699 M700 N706 N707 K776 L777 | A699-M703 WeakPolarHBondContact O-CB 3.28Å; A699-M703 PolarHBondContact O-N 3.3Å; M700-M703 PolarHBondContact O-N 3.04Å; M703-N706 PolarHBondContact O-N 3.36Å; M703-N707 PolarHBondContact O-N 2.72Å; M703-N707 VanDerWaalsContact O-N 3.17Å; M703-K776 HydrophobicContact CE-CB 3.72Å; M703-L777 HydrophobicContact CE-CB 4.46Å |
| 704 | L | 40 | Very low | 44.4 | Very low | 65 Ų | 65 | 77.1 Ų | 77.1 | 34% | 0.34 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.6 | -130.4 | 80 | 0 | 0 | 0 | 112 | M700 N706 N707 R708 M841 | M700-L704 PolarHBondContact O-N 3.04Å; L704-N706 VanDerWaalsContact C-N 3.35Å; L704-N706 PolarHBondContact O-N 2.69Å; L704-N707 PolarHBondContact O-N 2.98Å; L704-R708 WeakPolarHBondContact O-CB 3.47Å; L704-R708 PolarHBondContact O-N 2.94Å; L704-M841 HydrophobicContact CD1-SD 4.15Å; L704-M841 HydrophobicContact CD2-CG 3.98Å; L704-M841 HydrophobicContact CD2-SD 4.37Å |
| 705 | M | 44.9 | Very low | 44.7 | Very low | 112 Ų | 112 | 76.3 Ų | 76.3 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.1 | -38.2 | 177.4 | -83.8 | -73.1 | -179.8 | 0 | 0 | 113.4 | S701 K702 | S701-M705 WeakPolarHBondContact O-CB 3.45Å; S701-M705 WeakPolarHBondContact O-CG 3.08Å; S701-M705 PolarHBondContact O-N 2.91Å; K702-M705 PolarHBondContact O-N 3.46Å |
| 706 | N | 47 | Very low | 45.6 | Very low | 123 Ų | 123 | 80 Ų | 80 | 66% | 0.658 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.1 | -46.6 | 174.3 | -80.7 | -8.8 | 0 | 0 | 0 | 111.6 | K702 M703 L704 R708 Q709 | K702-N706 PolarHBondContact O-N 2.76Å; M703-N706 PolarHBondContact O-N 3.36Å; L704-N706 VanDerWaalsContact C-N 3.35Å; L704-N706 PolarHBondContact O-N 2.69Å; N706-R708 VanDerWaalsContact C-N 3.32Å; N706-R708 PolarHBondContact O-N 3.17Å; N706-Q709 PolarHBondContact O-N 3.2Å |
| 707 | N | 43 | Very low | 46.6 | Very low | 41 Ų | 41 | 85 Ų | 85 | 22% | 0.219 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.7 | -29.6 | -179.5 | -74.8 | -0.8 | 0 | 0 | 0 | 112.8 | M703 L704 Q709 Q710 I711 S773 | M703-N707 PolarHBondContact O-N 2.72Å; M703-N707 VanDerWaalsContact O-N 3.17Å; L704-N707 PolarHBondContact O-N 2.98Å; N707-Q709 VanDerWaalsContact C-N 3.3Å; N707-Q709 PolarHBondContact O-N 3.05Å; N707-Q710 WeakPolarHBondContact O-CA 3.34Å; N707-Q710 WeakPolarHBondContact O-CB 3.46Å; N707-Q710 PolarHBondContact O-N 2.72Å; N707-I711 WeakPolarHBondContact O-CG1 3.35Å; N707-I711 PolarHBondContact O-N 3.13Å; N707-S773 PolarHBondContact ND2-OG 2.82Å |
| 708 | R | 46.1 | Very low | 46.9 | Very low | 112 Ų | 112 | 83 Ų | 83 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -51.6 | -46.1 | 175 | 177.1 | 176.4 | 170 | 172.4 | -6 | 112.5 | L704 N706 Q710 I711 D712 | L704-R708 WeakPolarHBondContact O-CB 3.47Å; L704-R708 PolarHBondContact O-N 2.94Å; N706-R708 VanDerWaalsContact C-N 3.32Å; N706-R708 PolarHBondContact O-N 3.17Å; R708-Q710 PolarHBondContact O-N 2.99Å; R708-I711 PolarHBondContact O-N 3.35Å; R708-D712 PolarHBondContact O-N 3.45Å |
| 709 | Q | 55.3 | Low | 47.4 | Very low | 129 Ų | 129 | 78.6 Ų | 78.6 | 60% | 0.603 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.1 | -24.4 | 177.6 | -65.8 | -169.6 | 6 | 0 | 0 | 113.3 | N706 N707 R713 | N706-Q709 PolarHBondContact O-N 3.2Å; N707-Q709 VanDerWaalsContact C-N 3.3Å; N707-Q709 PolarHBondContact O-N 3.05Å; Q709-R713 WeakPolarHBondContact O-CB 3.35Å; Q709-R713 VanDerWaalsContact O-CG 3.28Å; Q709-R713 WeakPolarHBondContact O-CG 3.19Å; Q709-R713 PolarHBondContact O-N 3.27Å; Q709-R713 PolarHBondContact O-NE 2.9Å |
| 710 | Q | 48.1 | Very low | 48.4 | Very low | 108 Ų | 108 | 82.4 Ų | 82.4 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -82.7 | -37 | 176.4 | -171.5 | 168 | -8.9 | 0 | 0 | 111.3 | N707 R708 R713 N714 | N707-Q710 WeakPolarHBondContact O-CA 3.34Å; N707-Q710 WeakPolarHBondContact O-CB 3.46Å; N707-Q710 PolarHBondContact O-N 2.72Å; R708-Q710 PolarHBondContact O-N 2.99Å; Q710-R713 PolarHBondContact O-N 2.84Å; Q710-N714 WeakPolarHBondContact O-CB 3.26Å; Q710-N714 VanDerWaalsContact O-CG 3.3Å; Q710-N714 PolarHBondContact O-N 3.14Å |
| 711 | I | 45.8 | Very low | 49.3 | Very low | 61 Ų | 61 | 84.7 Ų | 84.7 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.5 | -50.2 | 172.2 | -67 | 165.7 | 0 | 0 | 0 | 110.5 | N707 R708 R713 N714 L715 L766 | N707-I711 WeakPolarHBondContact O-CG1 3.35Å; N707-I711 PolarHBondContact O-N 3.13Å; R708-I711 PolarHBondContact O-N 3.35Å; I711-R713 PolarHBondContact O-N 3.23Å; I711-N714 PolarHBondContact O-N 3.41Å; I711-L715 HydrophobicContact CG2-CD1 3.92Å; I711-L715 WeakPolarHBondContact O-CB 3.06Å; I711-L715 WeakPolarHBondContact O-CG 3.47Å; I711-L715 PolarHBondContact O-N 3.4Å; I711-L766 HydrophobicContact CG2-CD2 4.37Å |
| 712 | D | 51.9 | Low | 49.9 | Very low | 41 Ų | 41 | 82.3 Ų | 82.3 | 22% | 0.219 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 175.9 | -87.2 | -45.9 | 0 | 0 | 0 | 111.4 | R708 N714 Q716 Q852 | R708-D712 PolarHBondContact O-N 3.45Å; D712-N714 PolarHBondContact O-N 3.04Å; D712-Q716 WeakPolarHBondContact O-CB 3.47Å; D712-Q716 PolarHBondContact O-N 3Å; D712-Q852 PolarHBondContact OD1-NE2 2.8Å |
| 713 | R | 58.9 | Low | 50.2 | Low | 141 Ų | 141 | 80.5 Ų | 80.5 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 177.5 | -81.6 | 179.7 | -72.2 | 172.5 | -3.5 | 113.5 | Q709 Q710 I711 K717 | Q709-R713 WeakPolarHBondContact O-CB 3.35Å; Q709-R713 VanDerWaalsContact O-CG 3.28Å; Q709-R713 WeakPolarHBondContact O-CG 3.19Å; Q709-R713 PolarHBondContact O-N 3.27Å; Q709-R713 PolarHBondContact O-NE 2.9Å; Q710-R713 PolarHBondContact O-N 2.84Å; I711-R713 PolarHBondContact O-N 3.23Å; R713-K717 WeakPolarHBondContact O-CG 3.32Å; R713-K717 PolarHBondContact O-N 2.84Å; R713-K717 VanDerWaalsContact O-N 3.1Å |
| 714 | N | 49.7 | Very low | 51.1 | Low | 51 Ų | 51 | 79.9 Ų | 79.9 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.2 | -39.3 | -179.8 | -75.3 | -4.2 | 0 | 0 | 0 | 112.1 | Q710 I711 D712 T718 I765 | Q710-N714 WeakPolarHBondContact O-CB 3.26Å; Q710-N714 VanDerWaalsContact O-CG 3.3Å; Q710-N714 PolarHBondContact O-N 3.14Å; I711-N714 PolarHBondContact O-N 3.41Å; D712-N714 PolarHBondContact O-N 3.04Å; N714-T718 PolarHBondContact O-N 3.48Å; N714-T718 VanDerWaalsContact O-N 3.15Å; N714-T718 PolarHBondContact O-OG1 3.03Å; N714-I765 HydrophobicContact CB-CG2 4.38Å |
| 715 | L | 50.4 | Low | 51.6 | Low | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 169.2 | -79.9 | 170.5 | 0 | 0 | 0 | 110.5 | I711 K717 T718 F719 L766 L849 Q852 | I711-L715 HydrophobicContact CG2-CD1 3.92Å; I711-L715 WeakPolarHBondContact O-CB 3.06Å; I711-L715 WeakPolarHBondContact O-CG 3.47Å; I711-L715 PolarHBondContact O-N 3.4Å; L715-K717 VanDerWaalsContact C-N 3.33Å; L715-K717 PolarHBondContact O-N 2.91Å; L715-T718 WeakPolarHBondContact O-CB 3.24Å; L715-T718 PolarHBondContact O-N 2.87Å; L715-F719 HydrophobicContact CB-CD2 4.25Å; L715-F719 HydrophobicContact CB-CE2 4.03Å; L715-F719 HydrophobicContact CD2-CE2 3.99Å; L715-F719 WeakPolarHBondContact O-CD2 3.47Å; L715-F719 PolarHBondContact O-N 2.92Å; L715-L766 HydrophobicContact CD2-CD1 3.71Å; L715-L766 HydrophobicContact CG-CD1 4.21Å; L715-L849 HydrophobicContact CD1-CD2 3.95Å; L715-L849 HydrophobicContact CD2-CD2 4.04Å; L715-Q852 HydrophobicContact CD1-CG 4.37Å |
| 716 | Q | 58.6 | Low | 51.8 | Low | 119 Ų | 119 | 77.3 Ų | 77.3 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.8 | -41.1 | -178.7 | -170.1 | 174.6 | 23 | 0 | 0 | 112.6 | D712 Q720 | D712-Q716 WeakPolarHBondContact O-CB 3.47Å; D712-Q716 PolarHBondContact O-N 3Å; Q716-Q720 VanDerWaalsContact O-CB 3.27Å; Q716-Q720 WeakPolarHBondContact O-CB 3.19Å; Q716-Q720 PolarHBondContact O-N 2.95Å |
| 717 | K | 56.6 | Low | 52.2 | Low | 145 Ų | 145 | 77 Ų | 77 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.9 | -45.2 | 172.2 | -78 | 179.1 | 175 | -173.4 | 0 | 112.6 | R713 L715 Q720 C721 | R713-K717 WeakPolarHBondContact O-CG 3.32Å; R713-K717 PolarHBondContact O-N 2.84Å; R713-K717 VanDerWaalsContact O-N 3.1Å; L715-K717 VanDerWaalsContact C-N 3.33Å; L715-K717 PolarHBondContact O-N 2.91Å; K717-Q720 PolarHBondContact O-N 2.91Å; K717-C721 PolarHBondContact O-N 3.38Å |
| 718 | T | 47.9 | Very low | 52.6 | Low | 26 Ų | 26 | 82.3 Ų | 82.3 | 16% | 0.16 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -52.5 | 179.1 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | N714 L715 Q720 C721 F722 T761 | N714-T718 PolarHBondContact O-N 3.48Å; N714-T718 VanDerWaalsContact O-N 3.15Å; N714-T718 PolarHBondContact O-OG1 3.03Å; L715-T718 WeakPolarHBondContact O-CB 3.24Å; L715-T718 PolarHBondContact O-N 2.87Å; T718-Q720 PolarHBondContact O-N 3.13Å; T718-C721 PolarHBondContact O-N 3.34Å; T718-C721 VanDerWaalsContact O-N 3.17Å; T718-F722 PolarHBondContact O-N 3.11Å; T718-T761 HydrophobicContact CG2-CG2 3.54Å |
| 719 | F | 52.4 | Low | 52.6 | Low | 24 Ų | 24 | 78.9 Ų | 78.9 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.7 | -30.5 | 177.3 | -70.7 | -63.3 | 0 | 0 | 0 | 112.7 | L715 K723 F758 Q852 L856 | L715-F719 HydrophobicContact CB-CD2 4.25Å; L715-F719 HydrophobicContact CB-CE2 4.03Å; L715-F719 HydrophobicContact CD2-CE2 3.99Å; L715-F719 WeakPolarHBondContact O-CD2 3.47Å; L715-F719 PolarHBondContact O-N 2.92Å; F719-K723 WeakPolarHBondContact O-CB 3.33Å; F719-K723 PolarHBondContact O-N 3.45Å; F719-K723 VanDerWaalsContact O-N 3.07Å; F719-F758 AromaticContact CD1-CE1 3.93Å; F719-F758 HydrophobicContact CD1-CE1 3.93Å; F719-F758 AromaticContact CD1-CZ 3.9Å; F719-F758 HydrophobicContact CD1-CZ 3.9Å; F719-F758 AromaticContact CE1-CE1 3.37Å; F719-F758 HydrophobicContact CE1-CE1 3.37Å; F719-F758 AromaticContact CE1-CZ 3.46Å; F719-F758 HydrophobicContact CE1-CZ 3.46Å; F719-F758 VanDerWaalsContact CE1-CZ 3.46Å; F719-F758 HydrophobicContact CZ-CE1 4.04Å; F719-F758 HydrophobicContact CZ-CZ 4.48Å; F719-Q852 HydrophobicContact CD2-CB 4.39Å; F719-Q852 HydrophobicContact CE2-CB 3.58Å; F719-Q852 HydrophobicContact CE2-CG 4.45Å; F719-Q852 HydrophobicContact CZ-CB 4.08Å; F719-L856 HydrophobicContact CB-CD1 4.26Å; F719-L856 HydrophobicContact CD1-CB 4.27Å; F719-L856 HydrophobicContact CD1-CD1 3.91Å; F719-L856 HydrophobicContact CD1-CD2 3.8Å; F719-L856 HydrophobicContact CD1-CG 4.21Å; F719-L856 HydrophobicContact CE1-CB 4.4Å; F719-L856 HydrophobicContact CE1-CD2 3.96Å; F719-L856 HydrophobicContact CG-CD1 4.47Å |
| 720 | Q | 60 | Low | 52.1 | Low | 139 Ų | 139 | 78.3 Ų | 78.3 | 65% | 0.65 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -74.8 | -35.2 | 176.7 | -171.7 | 171.1 | 5.1 | 0 | 0 | 113 | Q716 K717 T718 G724 | Q716-Q720 VanDerWaalsContact O-CB 3.27Å; Q716-Q720 WeakPolarHBondContact O-CB 3.19Å; Q716-Q720 PolarHBondContact O-N 2.95Å; K717-Q720 PolarHBondContact O-N 2.91Å; T718-Q720 PolarHBondContact O-N 3.13Å; Q720-G724 PolarHBondContact O-N 2.95Å |
| 721 | C | 54.1 | Low | 52 | Low | 78 Ų | 78 | 75.7 Ų | 75.7 | 53% | 0.527 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -52.4 | 172.9 | -161.2 | 0 | 0 | 0 | 0 | 110.9 | K717 T718 K723 G724 E725 | K717-C721 PolarHBondContact O-N 3.38Å; T718-C721 PolarHBondContact O-N 3.34Å; T718-C721 VanDerWaalsContact O-N 3.17Å; C721-K723 PolarHBondContact O-N 3.44Å; C721-G724 WeakPolarHBondContact O-CA 3.37Å; C721-G724 PolarHBondContact O-N 3.27Å; C721-E725 PolarHBondContact O-N 3.45Å; C721-E725 VanDerWaalsContact O-N 3.14Å; C721-E725 PolarHBondContact SG-OE1 3.22Å |
| 722 | F | 54.1 | Low | 52 | Low | 21 Ų | 21 | 77 Ų | 77 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.9 | -34.8 | 176.7 | -179.9 | -108.2 | 0 | 0 | 0 | 113.2 | T718 G724 M726 M754 L856 | T718-F722 PolarHBondContact O-N 3.11Å; F722-G724 VanDerWaalsContact C-N 3.34Å; F722-M726 HydrophobicContact CE1-CE 4.01Å; F722-M726 HydrophobicContact CE1-CG 4.17Å; F722-M726 HydrophobicContact CE2-CE 4.41Å; F722-M726 HydrophobicContact CE2-CG 4.5Å; F722-M726 HydrophobicContact CZ-CE 3.56Å; F722-M726 HydrophobicContact CZ-CG 4.13Å; F722-M726 WeakPolarHBondContact O-CB 3.36Å; F722-M726 PolarHBondContact O-N 2.89Å; F722-M754 HydrophobicContact CE1-SD 4.4Å; F722-M754 HydrophobicContact CE2-CB 4.38Å; F722-M754 HydrophobicContact CE2-CG 4.42Å; F722-M754 HydrophobicContact CZ-CB 4.11Å; F722-M754 HydrophobicContact CZ-CG 3.85Å; F722-M754 HydrophobicContact CZ-SD 3.98Å; F722-L856 HydrophobicContact CD1-CD2 4.22Å; F722-L856 HydrophobicContact CE1-CD2 4.13Å |
| 723 | K | 51.2 | Low | 51.5 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 172.6 | -177.1 | -179.2 | 175 | -174.9 | 0 | 112 | F719 C721 Q727 | F719-K723 WeakPolarHBondContact O-CB 3.33Å; F719-K723 PolarHBondContact O-N 3.45Å; F719-K723 VanDerWaalsContact O-N 3.07Å; C721-K723 PolarHBondContact O-N 3.44Å; K723-Q727 VanDerWaalsContact CE-OE1 3.28Å; K723-Q727 HydrophobicContact CG-CG 4.5Å; K723-Q727 WeakPolarHBondContact O-CB 3.39Å; K723-Q727 VanDerWaalsContact O-CG 3.27Å; K723-Q727 WeakPolarHBondContact O-CG 3.4Å; K723-Q727 PolarHBondContact O-N 3.42Å |
| 724 | G | 57.3 | Low | 50.4 | Low | 31 Ų | 31 | 77.5 Ų | 77.5 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.1 | -52.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q720 C721 F722 M726 Q727 E728 | Q720-G724 PolarHBondContact O-N 2.95Å; C721-G724 WeakPolarHBondContact O-CA 3.37Å; C721-G724 PolarHBondContact O-N 3.27Å; F722-G724 VanDerWaalsContact C-N 3.34Å; G724-M726 VanDerWaalsContact C-N 3.34Å; G724-M726 PolarHBondContact O-N 3.07Å; G724-Q727 WeakPolarHBondContact O-CA 3.49Å; G724-Q727 PolarHBondContact O-N 3.32Å; G724-E728 PolarHBondContact O-N 2.98Å |
| 725 | E | 50.9 | Low | 49.8 | Very low | 99 Ų | 99 | 83.9 Ų | 83.9 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.7 | -46.4 | 177.7 | -66.9 | 155.4 | -162.3 | 0 | 0 | 112 | C721 Q727 E728 G729 | C721-E725 PolarHBondContact O-N 3.45Å; C721-E725 VanDerWaalsContact O-N 3.14Å; C721-E725 PolarHBondContact SG-OE1 3.22Å; E725-Q727 PolarHBondContact O-N 3.04Å; E725-E728 PolarHBondContact O-N 3.49Å; E725-G729 PolarHBondContact O-N 2.82Å |
| 726 | M | 49.3 | Very low | 49.3 | Very low | 24 Ų | 24 | 93.3 Ų | 93.3 | 12% | 0.118 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 172.3 | -87.6 | -104 | -178.8 | 0 | 0 | 112.9 | F722 G724 G729 F730 L750 L860 | F722-M726 HydrophobicContact CE1-CE 4.01Å; F722-M726 HydrophobicContact CE1-CG 4.17Å; F722-M726 HydrophobicContact CE2-CE 4.41Å; F722-M726 HydrophobicContact CE2-CG 4.5Å; F722-M726 HydrophobicContact CZ-CE 3.56Å; F722-M726 HydrophobicContact CZ-CG 4.13Å; F722-M726 WeakPolarHBondContact O-CB 3.36Å; F722-M726 PolarHBondContact O-N 2.89Å; G724-M726 VanDerWaalsContact C-N 3.34Å; G724-M726 PolarHBondContact O-N 3.07Å; M726-G729 PolarHBondContact O-N 3.49Å; M726-F730 WeakPolarHBondContact O-CD2 3.31Å; M726-F730 PolarHBondContact O-N 2.89Å; M726-F730 HydrophobicContact SD-CE2 4.1Å; M726-L750 HydrophobicContact CE-CD1 4.07Å; M726-L750 HydrophobicContact CE-CD2 3.72Å; M726-L750 HydrophobicContact CE-CG 3.81Å; M726-L750 HydrophobicContact SD-CD2 4.28Å; M726-L860 HydrophobicContact SD-CD2 4.2Å |
| 727 | Q | 54.3 | Low | 48.4 | Very low | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.3 | -33.9 | -178.4 | -73.6 | -171.7 | -78.7 | 0 | 0 | 112.7 | K723 G724 E725 G731 | K723-Q727 VanDerWaalsContact CE-OE1 3.28Å; K723-Q727 HydrophobicContact CG-CG 4.5Å; K723-Q727 WeakPolarHBondContact O-CB 3.39Å; K723-Q727 VanDerWaalsContact O-CG 3.27Å; K723-Q727 WeakPolarHBondContact O-CG 3.4Å; K723-Q727 PolarHBondContact O-N 3.42Å; G724-Q727 WeakPolarHBondContact O-CA 3.49Å; G724-Q727 PolarHBondContact O-N 3.32Å; E725-Q727 PolarHBondContact O-N 3.04Å; Q727-G731 PolarHBondContact O-N 3.39Å |
| 728 | E | 50.9 | Low | 47.3 | Very low | 154 Ų | 154 | 97.6 Ų | 97.6 | 72% | 0.72 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -44.1 | 171.6 | -67.9 | -171.7 | 148.5 | 0 | 0 | 111.5 | G724 E725 F730 G731 A732 | G724-E728 PolarHBondContact O-N 2.98Å; E725-E728 PolarHBondContact O-N 3.49Å; E728-F730 PolarHBondContact O-N 3.44Å; E728-G731 WeakPolarHBondContact O-CA 3.47Å; E728-G731 PolarHBondContact O-N 2.95Å; E728-A732 PolarHBondContact O-N 3.3Å |
| 729 | G | 48 | Very low | 47 | Very low | 40 Ų | 40 | 98.8 Ų | 98.8 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.3 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E725 M726 V733 | E725-G729 PolarHBondContact O-N 2.82Å; M726-G729 PolarHBondContact O-N 3.49Å; G729-V733 WeakPolarHBondContact O-CG2 3.3Å |
| 730 | F | 44.6 | Very low | 46.4 | Very low | 116 Ų | 116 | 104.5 Ų | 104.5 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.8 | -30 | 173.2 | -87.6 | -75.9 | 0 | 0 | 0 | 113.2 | M726 E728 V733 | M726-F730 WeakPolarHBondContact O-CD2 3.31Å; M726-F730 PolarHBondContact O-N 2.89Å; M726-F730 HydrophobicContact SD-CE2 4.1Å; E728-F730 PolarHBondContact O-N 3.44Å; F730-V733 PolarHBondContact O-N 3.03Å |
| 731 | G | 45.7 | Very low | 45.3 | Very low | 54 Ų | 54 | 104.5 Ų | 104.5 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67 | -35.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q727 E728 | Q727-G731 PolarHBondContact O-N 3.39Å; E728-G731 WeakPolarHBondContact O-CA 3.47Å; E728-G731 PolarHBondContact O-N 2.95Å |
| 732 | A | 45.3 | Very low | 44.5 | Very low | 87 Ų | 87 | 103 Ų | 103 | 72% | 0.719 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.2 | -31.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E728 C734 | E728-A732 PolarHBondContact O-N 3.3Å; A732-C734 PolarHBondContact O-N 3.44Å |
| 733 | V | 41.5 | Very low | 43.8 | Very low | 89 Ų | 89 | 103.3 Ų | 103.3 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | trans | -96.2 | 62.1 | -173.7 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | G729 F730 | G729-V733 WeakPolarHBondContact O-CG2 3.3Å; F730-V733 PolarHBondContact O-N 3.03Å | ||
| 734 | C | 36 | Very low | 43.6 | Very low | 105 Ų | 105 | 103.4 Ų | 103.4 | 71% | 0.709 | 57% | 0.569 | S | S | * | * | trans | -124.5 | 32.7 | -177.7 | -89.3 | 0 | 0 | 0 | 0 | 115.4 | A732 | A732-C734 PolarHBondContact O-N 3.44Š| ||
| 735 | E | 36.9 | Very low | 42.6 | Very low | 184 Ų | 184 | 109.8 Ų | 109.8 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | trans | -97.4 | 143.4 | 165 | -72.6 | -139.7 | 135.3 | 0 | 0 | 113.2 | R737 | E735-R737 PolarHBondContact O-N 2.85Å; E735-R737 VanDerWaalsContact O-N 3.08Å | ||
| 736 | K | 40.7 | Very low | 42.1 | Very low | 213 Ų | 213 | 108.4 Ų | 108.4 | 93% | 0.926 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 28.9 | -140.1 | -144.2 | 169.7 | -172.2 | 171.5 | 0 | 116.1 | ||
| 737 | R | 38.3 | Very low | 42 | Very low | 245 Ų | 245 | 109.4 Ų | 109.4 | 93% | 0.925 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | 6.6 | -173.3 | -78.7 | -168 | 171 | -165.8 | -2.7 | 117.1 | E735 | E735-R737 PolarHBondContact O-N 2.85Å; E735-R737 VanDerWaalsContact O-N 3.08Å |
| 738 | L | 33.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 105.8 Ų | 105.8 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | trans | -106.2 | 19.8 | -177.3 | -84.5 | 167.4 | 0 | 0 | 0 | 114.9 | D740 I742 | L738-D740 PolarHBondContact O-N 3.49Å; L738-I742 HydrophobicContact CB-CD1 3.75Å; L738-I742 HydrophobicContact CB-CG1 4.46Å; L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 WeakPolarHBondContact O-CD1 3.28Å; L738-I742 WeakPolarHBondContact O-CG1 3.45Å | ||
| 739 | A | 41.1 | Very low | 41.5 | Very low | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -64.4 | -36 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R867 | A739-R867 PolarHBondContact O-NH1 3.47Å; A739-R867 PolarHBondContact O-NH2 2.83Å |
| 740 | D | 39.6 | Very low | 41.4 | Very low | 144 Ų | 144 | 103.2 Ų | 103.2 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -97.7 | -37.1 | -163.9 | -52.3 | -36.7 | 0 | 0 | 0 | 113.1 | L738 I742 | L738-D740 PolarHBondContact O-N 3.49Å; D740-I742 VanDerWaalsContact C-N 3.28Å; D740-I742 PolarHBondContact O-N 2.98Å |
| 741 | N | 36.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 99.6 Ų | 99.6 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -82.6 | 2.3 | -179.4 | -74.5 | -24.8 | 0 | 0 | 0 | 114.3 | ||
| 742 | I | 38 | Very low | 42 | Very low | 45 Ų | 45 | 103.3 Ų | 103.3 | 23% | 0.231 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -98.1 | -31.4 | -173.5 | -87.5 | -176.1 | 0 | 0 | 0 | 114.2 | L738 D740 S744 K745 I746 | L738-I742 HydrophobicContact CB-CD1 3.75Å; L738-I742 HydrophobicContact CB-CG1 4.46Å; L738-I742 WeakPolarHBondContact O-CB 3.25Å; L738-I742 WeakPolarHBondContact O-CD1 3.28Å; L738-I742 WeakPolarHBondContact O-CG1 3.45Å; D740-I742 VanDerWaalsContact C-N 3.28Å; D740-I742 PolarHBondContact O-N 2.98Å; I742-S744 PolarHBondContact O-N 3.42Å; I742-S744 VanDerWaalsContact O-N 3.09Å; I742-K745 PolarHBondContact O-N 2.97Å; I742-I746 HydrophobicContact CB-CD1 4.49Å; I742-I746 HydrophobicContact CD1-CD1 3.82Å; I742-I746 HydrophobicContact CG1-CD1 4.05Å; I742-I746 HydrophobicContact CG1-CG1 4.4Å; I742-I746 HydrophobicContact CG2-CB 4.12Å; I742-I746 HydrophobicContact CG2-CD1 3.76Å; I742-I746 HydrophobicContact CG2-CG1 3.96Å; I742-I746 PolarHBondContact O-N 3.42Å; I742-I746 VanDerWaalsContact O-N 3.13Å |
| 743 | S | 39.7 | Very low | 42.2 | Very low | 29 Ų | 29 | 103.8 Ų | 103.8 | 20% | 0.203 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -34.6 | -171.5 | -105.3 | 0 | 0 | 0 | 0 | 113.6 | S747 R867 E871 | S743-S747 WeakPolarHBondContact O-CB 3.03Å; S743-S747 PolarHBondContact O-OG 3.1Å; S743-R867 PolarHBondContact OG-NH2 2.97Å; S743-E871 PolarHBondContact OG-OE2 2.97Å |
| 744 | S | 46.4 | Very low | 42.4 | Very low | 97 Ų | 97 | 100 Ų | 100 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -14.2 | -176.4 | 57.7 | 0 | 0 | 0 | 0 | 115.7 | I742 | I742-S744 PolarHBondContact O-N 3.42Å; I742-S744 VanDerWaalsContact O-N 3.09Å |
| 745 | K | 37 | Very low | 43.1 | Very low | 164 Ų | 164 | 97.6 Ų | 97.6 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -45.6 | -179.3 | -83.9 | -165.9 | 172.2 | -171.3 | 0 | 113.7 | I742 S747 G748 T749 | I742-K745 PolarHBondContact O-N 2.97Å; K745-S747 VanDerWaalsContact C-N 3.27Å; K745-S747 PolarHBondContact O-N 2.84Å; K745-G748 PolarHBondContact O-N 2.98Å; K745-T749 PolarHBondContact O-OG1 3.38Å |
| 746 | I | 40.5 | Very low | 44 | Very low | 71 Ų | 71 | 92.1 Ų | 92.1 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.9 | -29.1 | 179.3 | -64.7 | -166.5 | 0 | 0 | 0 | 111 | I742 G748 L750 | I742-I746 HydrophobicContact CB-CD1 4.49Å; I742-I746 HydrophobicContact CD1-CD1 3.82Å; I742-I746 HydrophobicContact CG1-CD1 4.05Å; I742-I746 HydrophobicContact CG1-CG1 4.4Å; I742-I746 HydrophobicContact CG2-CB 4.12Å; I742-I746 HydrophobicContact CG2-CD1 3.76Å; I742-I746 HydrophobicContact CG2-CG1 3.96Å; I742-I746 PolarHBondContact O-N 3.42Å; I742-I746 VanDerWaalsContact O-N 3.13Å; I746-G748 VanDerWaalsContact C-N 3.27Å; I746-G748 PolarHBondContact O-N 3.47Å; I746-L750 HydrophobicContact CG2-CB 4.36Å; I746-L750 WeakPolarHBondContact O-CB 3.28Å; I746-L750 PolarHBondContact O-N 3.12Å |
| 747 | S | 46.2 | Very low | 44.5 | Very low | 44 Ų | 44 | 83.9 Ų | 83.9 | 31% | 0.308 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.8 | -35.9 | 172 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | S743 K745 I751 | S743-S747 WeakPolarHBondContact O-CB 3.03Å; S743-S747 PolarHBondContact O-OG 3.1Å; K745-S747 VanDerWaalsContact C-N 3.27Å; K745-S747 PolarHBondContact O-N 2.84Å; S747-I751 WeakPolarHBondContact O-CB 3.36Å; S747-I751 WeakPolarHBondContact O-CD1 3.43Å; S747-I751 WeakPolarHBondContact O-CG1 3.4Å; S747-I751 PolarHBondContact O-N 3.41Å |
| 748 | G | 50.2 | Low | 44.9 | Very low | 40 Ų | 40 | 73.9 Ų | 73.9 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -63.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K745 I746 L750 I751 E752 | K745-G748 PolarHBondContact O-N 2.98Å; I746-G748 VanDerWaalsContact C-N 3.27Å; I746-G748 PolarHBondContact O-N 3.47Å; G748-L750 PolarHBondContact O-N 3.11Å; G748-I751 PolarHBondContact O-N 3.32Å; G748-I751 VanDerWaalsContact O-N 3.16Å; G748-E752 PolarHBondContact O-N 2.86Å; G748-E752 VanDerWaalsContact O-N 3.08Å |
| 749 | T | 45.7 | Very low | 45.7 | Very low | 77 Ų | 77 | 75.9 Ų | 75.9 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | -178.4 | 5.5 | 0 | 0 | 0 | 0 | 112.2 | K745 I751 E752 D753 | K745-T749 PolarHBondContact O-OG1 3.38Å; T749-I751 PolarHBondContact O-N 3.23Å; T749-E752 CarbonylContact O-C 3.58Å; T749-E752 WeakPolarHBondContact O-CA 3.47Å; T749-E752 PolarHBondContact O-N 3.22Å; T749-D753 WeakPolarHBondContact O-CB 3.31Å; T749-D753 PolarHBondContact O-N 3.46Å |
| 750 | L | 45.4 | Very low | 46.3 | Very low | 64 Ų | 64 | 77.4 Ų | 77.4 | 34% | 0.335 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.6 | -24.8 | -179.1 | -160.2 | 74.6 | 0 | 0 | 0 | 112.7 | M726 I746 G748 M754 | M726-L750 HydrophobicContact CE-CD1 4.07Å; M726-L750 HydrophobicContact CE-CD2 3.72Å; M726-L750 HydrophobicContact CE-CG 3.81Å; M726-L750 HydrophobicContact SD-CD2 4.28Å; I746-L750 HydrophobicContact CG2-CB 4.36Å; I746-L750 WeakPolarHBondContact O-CB 3.28Å; I746-L750 PolarHBondContact O-N 3.12Å; G748-L750 PolarHBondContact O-N 3.11Å; L750-M754 WeakPolarHBondContact O-CB 3.28Å; L750-M754 PolarHBondContact O-N 3.1Å |
| 751 | I | 49.4 | Very low | 46.6 | Very low | 39 Ų | 39 | 72.1 Ų | 72.1 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -75.2 | -39.3 | 169.2 | -71.5 | 166.2 | 0 | 0 | 0 | 110.9 | S747 G748 T749 M754 N755 V875 | S747-I751 WeakPolarHBondContact O-CB 3.36Å; S747-I751 WeakPolarHBondContact O-CD1 3.43Å; S747-I751 WeakPolarHBondContact O-CG1 3.4Å; S747-I751 PolarHBondContact O-N 3.41Å; G748-I751 PolarHBondContact O-N 3.32Å; G748-I751 VanDerWaalsContact O-N 3.16Å; T749-I751 PolarHBondContact O-N 3.23Å; I751-M754 HydrophobicContact CG1-CE 4.18Å; I751-N755 WeakPolarHBondContact CG2-ND2 3.44Å; I751-N755 VanDerWaalsContact O-CB 3.28Å; I751-N755 WeakPolarHBondContact O-CB 3.49Å; I751-N755 VanDerWaalsContact O-CG 3.22Å; I751-N755 PolarHBondContact O-N 3.49Å; I751-N755 PolarHBondContact O-ND2 3.42Å; I751-V875 HydrophobicContact CD1-CG2 4.06Å; I751-V875 HydrophobicContact CG1-CG1 4.41Å; I751-V875 HydrophobicContact CG1-CG2 4.47Å |
| 752 | E | 53.3 | Low | 47.2 | Very low | 132 Ų | 132 | 66.7 Ų | 66.7 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71.4 | -44.4 | -178.4 | -167.6 | 156 | -139.8 | 0 | 0 | 112.4 | G748 T749 N755 T756 | G748-E752 PolarHBondContact O-N 2.86Å; G748-E752 VanDerWaalsContact O-N 3.08Å; T749-E752 CarbonylContact O-C 3.58Å; T749-E752 WeakPolarHBondContact O-CA 3.47Å; T749-E752 PolarHBondContact O-N 3.22Å; E752-N755 PolarHBondContact O-N 3.07Å; E752-T756 VanDerWaalsContact O-CB 3.29Å; E752-T756 WeakPolarHBondContact O-CB 3.39Å; E752-T756 PolarHBondContact O-N 3.31Å; E752-T756 PolarHBondContact O-OG1 3.01Å |
| 753 | D | 49.8 | Very low | 47.8 | Very low | 98 Ų | 98 | 67.7 Ų | 67.7 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 170.8 | -68.2 | -37.4 | 0 | 0 | 0 | 111.1 | T749 T756 C757 | T749-D753 WeakPolarHBondContact O-CB 3.31Å; T749-D753 PolarHBondContact O-N 3.46Å; D753-T756 PolarHBondContact O-N 3.11Å; D753-C757 VanDerWaalsContact O-CB 3.3Å; D753-C757 WeakPolarHBondContact O-CB 3.25Å; D753-C757 PolarHBondContact O-N 2.63Å |
| 754 | M | 45.9 | Very low | 48.3 | Very low | 9 Ų | 9 | 70.1 Ų | 70.1 | 4% | 0.044 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 177.4 | 174.1 | 170.1 | 44.1 | 0 | 0 | 112.1 | F722 L750 I751 T756 C757 F758 V875 I879 | F722-M754 HydrophobicContact CE1-SD 4.4Å; F722-M754 HydrophobicContact CE2-CB 4.38Å; F722-M754 HydrophobicContact CE2-CG 4.42Å; F722-M754 HydrophobicContact CZ-CB 4.11Å; F722-M754 HydrophobicContact CZ-CG 3.85Å; F722-M754 HydrophobicContact CZ-SD 3.98Å; L750-M754 WeakPolarHBondContact O-CB 3.28Å; L750-M754 PolarHBondContact O-N 3.1Å; I751-M754 HydrophobicContact CG1-CE 4.18Å; M754-T756 VanDerWaalsContact C-N 3.29Å; M754-T756 PolarHBondContact O-N 3.41Å; M754-C757 PolarHBondContact O-N 3.11Å; M754-F758 HydrophobicContact CG-CD2 3.64Å; M754-F758 HydrophobicContact CG-CE2 3.6Å; M754-F758 WeakPolarHBondContact O-CB 3.49Å; M754-F758 VanDerWaalsContact O-CD2 3.22Å; M754-F758 WeakPolarHBondContact O-CD2 3.22Å; M754-F758 PolarHBondContact O-N 3.28Å; M754-F758 HydrophobicContact SD-CE2 4.22Å; M754-V875 HydrophobicContact CE-CG1 4.16Å; M754-I879 HydrophobicContact CE-CD1 3.57Å; M754-I879 HydrophobicContact CE-CG1 3.73Å; M754-I879 HydrophobicContact SD-CD1 3.56Å; M754-I879 VanDerWaalsContact SD-CD1 3.56Å; M754-I879 HydrophobicContact SD-CG1 3.99Å |
| 755 | N | 50.7 | Low | 48.4 | Very low | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 175 | -80.2 | -31.9 | 0 | 0 | 0 | 111.1 | I751 E752 R759 | I751-N755 WeakPolarHBondContact CG2-ND2 3.44Å; I751-N755 VanDerWaalsContact O-CB 3.28Å; I751-N755 WeakPolarHBondContact O-CB 3.49Å; I751-N755 VanDerWaalsContact O-CG 3.22Å; I751-N755 PolarHBondContact O-N 3.49Å; I751-N755 PolarHBondContact O-ND2 3.42Å; E752-N755 PolarHBondContact O-N 3.07Å; N755-R759 WeakPolarHBondContact O-CB 3.27Å; N755-R759 PolarHBondContact O-N 3.41Å |
| 756 | T | 55.2 | Low | 48.9 | Very low | 68 Ų | 68 | 62.8 Ų | 62.8 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | E752 D753 M754 R759 N760 | E752-T756 VanDerWaalsContact O-CB 3.29Å; E752-T756 WeakPolarHBondContact O-CB 3.39Å; E752-T756 PolarHBondContact O-N 3.31Å; E752-T756 PolarHBondContact O-OG1 3.01Å; D753-T756 PolarHBondContact O-N 3.11Å; M754-T756 VanDerWaalsContact C-N 3.29Å; M754-T756 PolarHBondContact O-N 3.41Å; T756-R759 PolarHBondContact O-N 2.8Å; T756-N760 VanDerWaalsContact O-CB 3.29Å; T756-N760 WeakPolarHBondContact O-CB 3.24Å; T756-N760 PolarHBondContact O-N 2.87Å; T756-N760 PolarHBondContact O-ND2 3.42Å; T756-N760 PolarHBondContact O-OD1 3.03Å |
| 757 | C | 50.7 | Low | 49.3 | Very low | 41 Ų | 41 | 61.1 Ų | 61.1 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | D753 M754 N760 T761 | D753-C757 VanDerWaalsContact O-CB 3.3Å; D753-C757 WeakPolarHBondContact O-CB 3.25Å; D753-C757 PolarHBondContact O-N 2.63Å; M754-C757 PolarHBondContact O-N 3.11Å; C757-N760 PolarHBondContact O-N 2.7Å; C757-T761 WeakPolarHBondContact O-CB 3.45Å; C757-T761 PolarHBondContact O-N 2.93Å; C757-T761 PolarHBondContact O-OG1 2.67Å |
| 758 | F | 48 | Very low | 49.6 | Very low | 34 Ų | 34 | 61.3 Ų | 61.3 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 174.2 | -83.7 | -60 | 0 | 0 | 0 | 112.3 | F719 M754 F762 L856 | F719-F758 AromaticContact CD1-CE1 3.93Å; F719-F758 HydrophobicContact CD1-CE1 3.93Å; F719-F758 AromaticContact CD1-CZ 3.9Å; F719-F758 HydrophobicContact CD1-CZ 3.9Å; F719-F758 AromaticContact CE1-CE1 3.37Å; F719-F758 HydrophobicContact CE1-CE1 3.37Å; F719-F758 AromaticContact CE1-CZ 3.46Å; F719-F758 HydrophobicContact CE1-CZ 3.46Å; F719-F758 VanDerWaalsContact CE1-CZ 3.46Å; F719-F758 HydrophobicContact CZ-CE1 4.04Å; F719-F758 HydrophobicContact CZ-CZ 4.48Å; M754-F758 HydrophobicContact CG-CD2 3.64Å; M754-F758 HydrophobicContact CG-CE2 3.6Å; M754-F758 WeakPolarHBondContact O-CB 3.49Å; M754-F758 VanDerWaalsContact O-CD2 3.22Å; M754-F758 WeakPolarHBondContact O-CD2 3.22Å; M754-F758 PolarHBondContact O-N 3.28Å; M754-F758 HydrophobicContact SD-CE2 4.22Å; F758-F762 WeakPolarHBondContact O-CB 3.41Å; F758-F762 PolarHBondContact O-N 3.27Å; F758-L856 HydrophobicContact CZ-CD2 4.12Å |
| 759 | R | 51.2 | Low | 49.5 | Very low | 151 Ų | 151 | 61.2 Ų | 61.2 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.5 | -49.7 | 175.6 | -177.5 | 174.8 | -179.9 | -97.9 | 4.1 | 110.9 | N755 T756 T761 F762 M763 | N755-R759 WeakPolarHBondContact O-CB 3.27Å; N755-R759 PolarHBondContact O-N 3.41Å; T756-R759 PolarHBondContact O-N 2.8Å; R759-T761 PolarHBondContact O-N 3.44Å; R759-F762 PolarHBondContact O-N 2.8Å; R759-M763 HydrophobicContact CG-CG 4.49Å; R759-M763 VanDerWaalsContact O-CG 3.25Å; R759-M763 WeakPolarHBondContact O-CG 3.46Å; R759-M763 PolarHBondContact O-N 3.38Å |
| 760 | N | 52.1 | Low | 49.6 | Very low | 85 Ų | 85 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | -178.2 | -69.1 | -7.3 | 0 | 0 | 0 | 111.9 | T756 C757 S764 | T756-N760 VanDerWaalsContact O-CB 3.29Å; T756-N760 WeakPolarHBondContact O-CB 3.24Å; T756-N760 PolarHBondContact O-N 2.87Å; T756-N760 PolarHBondContact O-ND2 3.42Å; T756-N760 PolarHBondContact O-OD1 3.03Å; C757-N760 PolarHBondContact O-N 2.7Å; N760-S764 VanDerWaalsContact O-CB 3.31Å; N760-S764 WeakPolarHBondContact O-CB 3.1Å; N760-S764 PolarHBondContact O-N 3.28Å; N760-S764 PolarHBondContact O-OG 3.02Å |
| 761 | T | 46.5 | Very low | 49.8 | Very low | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.1 | -36.2 | 176.4 | -47.9 | 0 | 0 | 0 | 0 | 112.5 | T718 C757 R759 S764 I765 | T718-T761 HydrophobicContact CG2-CG2 3.54Å; C757-T761 WeakPolarHBondContact O-CB 3.45Å; C757-T761 PolarHBondContact O-N 2.93Å; C757-T761 PolarHBondContact O-OG1 2.67Å; R759-T761 PolarHBondContact O-N 3.44Å; T761-S764 WeakPolarHBondContact CA-OG 3.18Å; T761-I765 HydrophobicContact CG2-CB 4.42Å; T761-I765 HydrophobicContact CG2-CD1 3.73Å; T761-I765 HydrophobicContact CG2-CG1 4.08Å; T761-I765 WeakPolarHBondContact O-CB 3.46Å; T761-I765 PolarHBondContact O-N 3.03Å |
| 762 | F | 49 | Very low | 49.9 | Very low | 26 Ų | 26 | 63.5 Ų | 63.5 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -62.6 | -44.8 | 175.3 | -167.7 | -92.4 | 0 | 0 | 0 | 111.3 | F758 R759 L766 V767 V886 V887 Q890 | F758-F762 WeakPolarHBondContact O-CB 3.41Å; F758-F762 PolarHBondContact O-N 3.27Å; R759-F762 PolarHBondContact O-N 2.8Å; F762-L766 HydrophobicContact CD2-CB 3.95Å; F762-L766 HydrophobicContact CD2-CD1 3.82Å; F762-L766 HydrophobicContact CD2-CG 4.47Å; F762-L766 HydrophobicContact CE2-CB 4.22Å; F762-L766 HydrophobicContact CE2-CD1 4.04Å; F762-L766 HydrophobicContact CG-CB 4.3Å; F762-L766 WeakPolarHBondContact O-CA 3.41Å; F762-L766 WeakPolarHBondContact O-CB 3.35Å; F762-L766 PolarHBondContact O-N 3.39Å; F762-V767 HydrophobicContact CD1-CG2 3.69Å; F762-V767 HydrophobicContact CE1-CG2 3.56Å; F762-V767 PolarHBondContact O-N 3.17Å; F762-V886 HydrophobicContact CD1-CG1 4.31Å; F762-V886 HydrophobicContact CE1-CG1 4.48Å; F762-V887 HydrophobicContact CE2-CG2 4Å; F762-V887 HydrophobicContact CZ-CG2 4.07Å; F762-Q890 HydrophobicContact CE1-CB 4.02Å; F762-Q890 HydrophobicContact CE1-CG 4.2Å |
| 763 | M | 51.5 | Low | 49.6 | Very low | 65 Ų | 65 | 58.8 Ų | 58.8 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -72.7 | -33.4 | 179.1 | -62.7 | -58.9 | 175.2 | 0 | 0 | 113.7 | R759 V767 P768 V886 Q890 | R759-M763 HydrophobicContact CG-CG 4.49Å; R759-M763 VanDerWaalsContact O-CG 3.25Å; R759-M763 WeakPolarHBondContact O-CG 3.46Å; R759-M763 PolarHBondContact O-N 3.38Å; M763-V767 HydrophobicContact SD-CG2 4.07Å; M763-P768 WeakPolarHBondContact O-CD 3.14Å; M763-P768 WeakPolarHBondContact O-CG 3.2Å; M763-V886 HydrophobicContact CE-CG1 4.38Å; M763-Q890 HydrophobicContact CE-CG 3.83Å |
| 764 | S | 50.4 | Low | 49.4 | Very low | 81 Ų | 81 | 54.7 Ų | 54.7 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | I | π-helix | trans | -86.9 | -29.2 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | N760 T761 | N760-S764 VanDerWaalsContact O-CB 3.31Å; N760-S764 WeakPolarHBondContact O-CB 3.1Å; N760-S764 PolarHBondContact O-N 3.28Å; N760-S764 PolarHBondContact O-OG 3.02Å; T761-S764 WeakPolarHBondContact CA-OG 3.18Å |
| 765 | I | 47.3 | Very low | 49.6 | Very low | 72 Ų | 72 | 58.1 Ų | 58.1 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -114.6 | -47.8 | -175.8 | -53.9 | -172.2 | 0 | 0 | 0 | 112.2 | N714 T761 A769 | N714-I765 HydrophobicContact CB-CG2 4.38Å; T761-I765 HydrophobicContact CG2-CB 4.42Å; T761-I765 HydrophobicContact CG2-CD1 3.73Å; T761-I765 HydrophobicContact CG2-CG1 4.08Å; T761-I765 WeakPolarHBondContact O-CB 3.46Å; T761-I765 PolarHBondContact O-N 3.03Å; I765-A769 WeakPolarHBondContact O-CB 3.44Å; I765-A769 PolarHBondContact O-N 3.48Å |
| 766 | L | 47.9 | Very low | 49.4 | Very low | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -84 | -45.6 | -167 | -115.9 | 164.3 | 0 | 0 | 0 | 112.9 | I711 L715 F762 A769 F770 | I711-L766 HydrophobicContact CG2-CD2 4.37Å; L715-L766 HydrophobicContact CD2-CD1 3.71Å; L715-L766 HydrophobicContact CG-CD1 4.21Å; F762-L766 HydrophobicContact CD2-CB 3.95Å; F762-L766 HydrophobicContact CD2-CD1 3.82Å; F762-L766 HydrophobicContact CD2-CG 4.47Å; F762-L766 HydrophobicContact CE2-CB 4.22Å; F762-L766 HydrophobicContact CE2-CD1 4.04Å; F762-L766 HydrophobicContact CG-CB 4.3Å; F762-L766 WeakPolarHBondContact O-CA 3.41Å; F762-L766 WeakPolarHBondContact O-CB 3.35Å; F762-L766 PolarHBondContact O-N 3.39Å; L766-A769 PolarHBondContact O-N 3.41Å; L766-F770 WeakPolarHBondContact O-CB 3.15Å; L766-F770 PolarHBondContact O-N 2.96Å |
| 767 | V | 49.8 | Very low | 49 | Very low | 37 Ų | 37 | 59.6 Ų | 59.6 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F762 M763 A769 F770 D771 | F762-V767 HydrophobicContact CD1-CG2 3.69Å; F762-V767 HydrophobicContact CE1-CG2 3.56Å; F762-V767 PolarHBondContact O-N 3.17Å; M763-V767 HydrophobicContact SD-CG2 4.07Å; V767-A769 VanDerWaalsContact C-N 3.3Å; V767-A769 PolarHBondContact O-N 2.91Å; V767-F770 PolarHBondContact O-N 3.45Å; V767-D771 VanDerWaalsContact O-CB 3.3Å; V767-D771 WeakPolarHBondContact O-CB 3.31Å; V767-D771 PolarHBondContact O-N 3.35Å |
| 768 | P | 52.5 | Low | 48.9 | Very low | 47 Ų | 47 | 59.2 Ų | 59.2 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.1 | -24.8 | 179.2 | -22 | 36.1 | 0 | 0 | 0 | 113.9 | M763 K772 | M763-P768 WeakPolarHBondContact O-CD 3.14Å; M763-P768 WeakPolarHBondContact O-CG 3.2Å; P768-K772 VanDerWaalsContact O-CB 3.31Å; P768-K772 WeakPolarHBondContact O-CB 3.44Å; P768-K772 WeakPolarHBondContact O-CD 3.29Å; P768-K772 WeakPolarHBondContact O-CG 3.09Å; P768-K772 PolarHBondContact O-N 3.18Å; P768-K772 VanDerWaalsContact O-N 3.16Å |
| 769 | A | 47.5 | Very low | 48.8 | Very low | 38 Ų | 38 | 62.4 Ų | 62.4 | 31% | 0.314 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -77.6 | -36.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I765 L766 V767 S773 | I765-A769 WeakPolarHBondContact O-CB 3.44Å; I765-A769 PolarHBondContact O-N 3.48Å; L766-A769 PolarHBondContact O-N 3.41Å; V767-A769 VanDerWaalsContact C-N 3.3Å; V767-A769 PolarHBondContact O-N 2.91Å; A769-S773 WeakPolarHBondContact O-CB 3.42Å; A769-S773 PolarHBondContact O-N 2.86Å; A769-S773 VanDerWaalsContact O-N 3.14Å; A769-S773 PolarHBondContact O-OG 3.38Å |
| 770 | F | 48.4 | Very low | 48.7 | Very low | 47 Ų | 47 | 59.5 Ų | 59.5 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -51.4 | 173.1 | -177.2 | -104 | 0 | 0 | 0 | 110.7 | L766 V767 K772 S773 V774 I845 C894 | L766-F770 WeakPolarHBondContact O-CB 3.15Å; L766-F770 PolarHBondContact O-N 2.96Å; V767-F770 PolarHBondContact O-N 3.45Å; F770-K772 PolarHBondContact O-N 3.05Å; F770-S773 CarbonylContact O-C 3.58Å; F770-S773 WeakPolarHBondContact O-CA 3.27Å; F770-S773 VanDerWaalsContact O-CB 3.31Å; F770-S773 WeakPolarHBondContact O-CB 3.4Å; F770-S773 PolarHBondContact O-N 3.24Å; F770-V774 HydrophobicContact CD1-CG2 4.01Å; F770-V774 HydrophobicContact CD2-CG2 4.37Å; F770-V774 HydrophobicContact CE1-CG2 3.69Å; F770-V774 HydrophobicContact CE2-CG2 4.05Å; F770-V774 HydrophobicContact CG-CG2 4.35Å; F770-V774 HydrophobicContact CZ-CG2 3.71Å; F770-V774 WeakPolarHBondContact O-CG2 3.32Å; F770-V774 PolarHBondContact O-N 3.25Å; F770-I845 HydrophobicContact CD2-CD1 4.35Å; F770-I845 HydrophobicContact CE2-CD1 3.83Å; F770-C894 HydrophobicContact CD1-CB 4.46Å; F770-C894 HydrophobicContact CE1-CB 4.21Å |
| 771 | D | 48.4 | Very low | 48.3 | Very low | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53.9 | -51 | 176.2 | 178 | 45.1 | 0 | 0 | 0 | 111.8 | V767 S773 V774 Q775 | V767-D771 VanDerWaalsContact O-CB 3.3Å; V767-D771 WeakPolarHBondContact O-CB 3.31Å; V767-D771 PolarHBondContact O-N 3.35Å; D771-S773 PolarHBondContact O-N 3.35Å; D771-V774 PolarHBondContact O-N 2.73Å; D771-V774 VanDerWaalsContact O-N 3.11Å; D771-Q775 WeakPolarHBondContact O-CB 3.34Å; D771-Q775 VanDerWaalsContact O-CG 3.29Å; D771-Q775 WeakPolarHBondContact O-CG 3.33Å; D771-Q775 PolarHBondContact O-N 2.98Å; D771-Q775 PolarHBondContact OD1-NE2 2.81Å; D771-Q775 PolarHBondContact OD2-NE2 2.82Å |
| 772 | K | 51.6 | Low | 48.3 | Very low | 132 Ų | 132 | 57.5 Ų | 57.5 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.7 | -23.9 | 174 | -73.7 | 173.4 | -178.6 | 174.9 | 0 | 114.6 | P768 F770 K776 | P768-K772 VanDerWaalsContact O-CB 3.31Å; P768-K772 WeakPolarHBondContact O-CB 3.44Å; P768-K772 WeakPolarHBondContact O-CD 3.29Å; P768-K772 WeakPolarHBondContact O-CG 3.09Å; P768-K772 PolarHBondContact O-N 3.18Å; P768-K772 VanDerWaalsContact O-N 3.16Å; F770-K772 PolarHBondContact O-N 3.05Å; K772-K776 WeakPolarHBondContact O-CB 3.23Å; K772-K776 WeakPolarHBondContact O-CG 3.45Å; K772-K776 PolarHBondContact O-N 3.15Å |
| 773 | S | 46.9 | Very low | 48.1 | Very low | 34 Ų | 34 | 58.7 Ų | 58.7 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80 | -38 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | N707 A769 F770 D771 L777 | N707-S773 PolarHBondContact ND2-OG 2.82Å; A769-S773 WeakPolarHBondContact O-CB 3.42Å; A769-S773 PolarHBondContact O-N 2.86Å; A769-S773 VanDerWaalsContact O-N 3.14Å; A769-S773 PolarHBondContact O-OG 3.38Å; F770-S773 CarbonylContact O-C 3.58Å; F770-S773 WeakPolarHBondContact O-CA 3.27Å; F770-S773 VanDerWaalsContact O-CB 3.31Å; F770-S773 WeakPolarHBondContact O-CB 3.4Å; F770-S773 PolarHBondContact O-N 3.24Å; D771-S773 PolarHBondContact O-N 3.35Å; S773-L777 WeakPolarHBondContact O-CB 3.33Å; S773-L777 PolarHBondContact O-N 2.79Å |
| 774 | V | 45.4 | Very low | 47.8 | Very low | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | F770 D771 K776 L777 F778 N898 | F770-V774 HydrophobicContact CD1-CG2 4.01Å; F770-V774 HydrophobicContact CD2-CG2 4.37Å; F770-V774 HydrophobicContact CE1-CG2 3.69Å; F770-V774 HydrophobicContact CE2-CG2 4.05Å; F770-V774 HydrophobicContact CG-CG2 4.35Å; F770-V774 HydrophobicContact CZ-CG2 3.71Å; F770-V774 WeakPolarHBondContact O-CG2 3.32Å; F770-V774 PolarHBondContact O-N 3.25Å; D771-V774 PolarHBondContact O-N 2.73Å; D771-V774 VanDerWaalsContact O-N 3.11Å; V774-K776 PolarHBondContact O-N 3Å; V774-L777 WeakPolarHBondContact O-CB 3.3Å; V774-L777 PolarHBondContact O-N 3.05Å; V774-L777 VanDerWaalsContact O-N 3.12Å; V774-F778 HydrophobicContact CG1-CD2 3.6Å; V774-F778 HydrophobicContact CG1-CE2 3.49Å; V774-F778 VanDerWaalsContact CG1-CE2 3.49Å; V774-F778 VanDerWaalsContact O-CD2 3.24Å; V774-F778 WeakPolarHBondContact O-CD2 3.49Å; V774-F778 PolarHBondContact O-N 3.2Å; V774-N898 HydrophobicContact CG1-CB 4.14Å |
| 775 | Q | 50.1 | Low | 47.4 | Very low | 81 Ų | 81 | 59.8 Ų | 59.8 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -54.6 | -53.2 | 171.4 | -72.2 | 166.8 | 6.4 | 0 | 0 | 111 | D771 L777 F778 D779 | D771-Q775 WeakPolarHBondContact O-CB 3.34Å; D771-Q775 VanDerWaalsContact O-CG 3.29Å; D771-Q775 WeakPolarHBondContact O-CG 3.33Å; D771-Q775 PolarHBondContact O-N 2.98Å; D771-Q775 PolarHBondContact OD1-NE2 2.81Å; D771-Q775 PolarHBondContact OD2-NE2 2.82Å; Q775-L777 VanDerWaalsContact C-N 3.27Å; Q775-L777 PolarHBondContact O-N 3.36Å; Q775-F778 CarbonylContact O-C 3.6Å; Q775-F778 PolarHBondContact O-N 3.21Å; Q775-D779 PolarHBondContact O-N 2.98Å |
| 776 | K | 47.9 | Very low | 47.2 | Very low | 134 Ų | 134 | 58.5 Ų | 58.5 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.1 | -30.6 | 176.3 | -76 | -175 | 174.8 | -167.4 | 0 | 114.1 | M703 K772 V774 N780 | M703-K776 HydrophobicContact CE-CB 3.72Å; K772-K776 WeakPolarHBondContact O-CB 3.23Å; K772-K776 WeakPolarHBondContact O-CG 3.45Å; K772-K776 PolarHBondContact O-N 3.15Å; V774-K776 PolarHBondContact O-N 3Å; K776-N780 WeakPolarHBondContact O-CB 3.34Å; K776-N780 PolarHBondContact O-N 2.99Å; K776-N780 VanDerWaalsContact O-N 3.16Å; K776-N780 PolarHBondContact O-ND2 3.05Å; K776-N780 VanDerWaalsContact O-ND2 3.17Å |
| 777 | L | 46.7 | Very low | 47 | Very low | 20 Ų | 20 | 63.7 Ų | 63.7 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -46.3 | 172.7 | -179.6 | 64.6 | 0 | 0 | 0 | 110.1 | M700 M703 S773 V774 Q775 N780 V781 F838 | M700-L777 HydrophobicContact CB-CD1 4.4Å; M700-L777 HydrophobicContact CG-CD1 4.13Å; M700-L777 HydrophobicContact SD-CD1 4.34Å; M700-L777 HydrophobicContact SD-CD2 4.26Å; M703-L777 HydrophobicContact CE-CB 4.46Å; S773-L777 WeakPolarHBondContact O-CB 3.33Å; S773-L777 PolarHBondContact O-N 2.79Å; V774-L777 WeakPolarHBondContact O-CB 3.3Å; V774-L777 PolarHBondContact O-N 3.05Å; V774-L777 VanDerWaalsContact O-N 3.12Å; Q775-L777 VanDerWaalsContact C-N 3.27Å; Q775-L777 PolarHBondContact O-N 3.36Å; L777-N780 PolarHBondContact O-N 3.14Å; L777-V781 HydrophobicContact CD1-CG2 4.49Å; L777-V781 WeakPolarHBondContact O-CB 3.33Å; L777-V781 WeakPolarHBondContact O-CG2 3.42Å; L777-V781 PolarHBondContact O-N 2.94Å; L777-F838 HydrophobicContact CD2-CZ 4.22Å |
| 778 | F | 47.6 | Very low | 46.6 | Very low | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 176.7 | -79.6 | -62.9 | 0 | 0 | 0 | 113.4 | V774 Q775 V781 N782 F834 N898 L902 | V774-F778 HydrophobicContact CG1-CD2 3.6Å; V774-F778 HydrophobicContact CG1-CE2 3.49Å; V774-F778 VanDerWaalsContact CG1-CE2 3.49Å; V774-F778 VanDerWaalsContact O-CD2 3.24Å; V774-F778 WeakPolarHBondContact O-CD2 3.49Å; V774-F778 PolarHBondContact O-N 3.2Å; Q775-F778 CarbonylContact O-C 3.6Å; Q775-F778 PolarHBondContact O-N 3.21Å; F778-V781 PolarHBondContact O-N 2.95Å; F778-N782 WeakPolarHBondContact O-CB 3.45Å; F778-N782 PolarHBondContact O-N 2.95Å; F778-F834 HydrophobicContact CE1-CE1 4.2Å; F778-F834 HydrophobicContact CE1-CZ 4.26Å; F778-F834 HydrophobicContact CZ-CE1 4.23Å; F778-N898 HydrophobicContact CD2-CB 4.19Å; F778-N898 HydrophobicContact CE2-CB 3.62Å; F778-N898 HydrophobicContact CZ-CB 4.35Å; F778-L902 HydrophobicContact CD1-CB 4.35Å; F778-L902 HydrophobicContact CD1-CD1 3.97Å; F778-L902 HydrophobicContact CE1-CB 3.85Å; F778-L902 HydrophobicContact CE1-CD1 3.9Å; F778-L902 HydrophobicContact CE1-CD2 4.06Å; F778-L902 HydrophobicContact CE1-CG 4.12Å |
| 779 | D | 47 | Very low | 46.1 | Very low | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.4 | -70.7 | -38.4 | 0 | 0 | 0 | 111.1 | Q775 N782 A783 | Q775-D779 PolarHBondContact O-N 2.98Å; D779-N782 PolarHBondContact O-N 3.22Å; D779-A783 WeakPolarHBondContact O-CB 3.23Å; D779-A783 PolarHBondContact O-N 3.25Å |
| 780 | N | 47.5 | Very low | 45.5 | Very low | 91 Ų | 91 | 67.7 Ų | 67.7 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.9 | -73.4 | -23.4 | 0 | 0 | 0 | 112.4 | K776 L777 A783 V784 | K776-N780 WeakPolarHBondContact O-CB 3.34Å; K776-N780 PolarHBondContact O-N 2.99Å; K776-N780 VanDerWaalsContact O-N 3.16Å; K776-N780 PolarHBondContact O-ND2 3.05Å; K776-N780 VanDerWaalsContact O-ND2 3.17Å; L777-N780 PolarHBondContact O-N 3.14Å; N780-A783 PolarHBondContact O-N 2.81Å; N780-V784 WeakPolarHBondContact O-CG2 3.28Å; N780-V784 PolarHBondContact O-N 2.88Å |
| 781 | V | 44.6 | Very low | 44.9 | Very low | 21 Ų | 21 | 72.4 Ų | 72.4 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 174.3 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | L696 L777 F778 F785 | L696-V781 HydrophobicContact CD1-CG2 4.15Å; L696-V781 HydrophobicContact CD2-CG2 4.27Å; L777-V781 HydrophobicContact CD1-CG2 4.49Å; L777-V781 WeakPolarHBondContact O-CB 3.33Å; L777-V781 WeakPolarHBondContact O-CG2 3.42Å; L777-V781 PolarHBondContact O-N 2.94Å; F778-V781 PolarHBondContact O-N 2.95Å; V781-F785 WeakPolarHBondContact O-CB 3.04Å; V781-F785 PolarHBondContact O-N 3.36Å |
| 782 | N | 45.8 | Very low | 44.2 | Very low | 53 Ų | 53 | 72.6 Ų | 72.6 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.4 | -177.3 | 46.6 | 0 | 0 | 0 | 111.4 | F778 D779 F785 L786 | F778-N782 WeakPolarHBondContact O-CB 3.45Å; F778-N782 PolarHBondContact O-N 2.95Å; D779-N782 PolarHBondContact O-N 3.22Å; N782-F785 PolarHBondContact O-N 2.95Å; N782-L786 VanDerWaalsContact O-CB 3.24Å; N782-L786 WeakPolarHBondContact O-CB 3.42Å; N782-L786 WeakPolarHBondContact O-CD1 3.5Å; N782-L786 WeakPolarHBondContact O-CG 3.49Å; N782-L786 PolarHBondContact O-N 3.03Å |
| 783 | A | 45.7 | Very low | 43.4 | Very low | 51 Ų | 51 | 69.9 Ų | 69.9 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -50.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D779 N780 F785 L786 E787 | D779-A783 WeakPolarHBondContact O-CB 3.23Å; D779-A783 PolarHBondContact O-N 3.25Å; N780-A783 PolarHBondContact O-N 2.81Å; A783-F785 VanDerWaalsContact C-N 3.31Å; A783-F785 PolarHBondContact O-N 2.87Å; A783-L786 WeakPolarHBondContact O-CB 3.48Å; A783-L786 PolarHBondContact O-N 2.87Å; A783-E787 WeakPolarHBondContact O-CB 3.45Å; A783-E787 PolarHBondContact O-N 3.25Å |
| 784 | V | 43.9 | Very low | 42.7 | Very low | 83 Ų | 83 | 73 Ų | 73 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | N780 G788 | N780-V784 WeakPolarHBondContact O-CG2 3.28Å; N780-V784 PolarHBondContact O-N 2.88Å; V784-G788 PolarHBondContact O-N 3.48Å; V784-G788 VanDerWaalsContact O-N 3.09Å |
| 785 | F | 42.6 | Very low | 42.2 | Very low | 86 Ų | 86 | 78.6 Ų | 78.6 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 175.4 | -169.8 | -95.7 | 0 | 0 | 0 | 112.3 | V781 N782 A783 T789 A909 | V781-F785 WeakPolarHBondContact O-CB 3.04Å; V781-F785 PolarHBondContact O-N 3.36Å; N782-F785 PolarHBondContact O-N 2.95Å; A783-F785 VanDerWaalsContact C-N 3.31Å; A783-F785 PolarHBondContact O-N 2.87Å; F785-T789 HydrophobicContact CD1-CG2 4.1Å; F785-T789 HydrophobicContact CE1-CG2 3.78Å; F785-T789 HydrophobicContact CZ-CG2 4.02Å; F785-T789 WeakPolarHBondContact O-CB 3.27Å; F785-T789 VanDerWaalsContact O-CG2 3.32Å; F785-T789 WeakPolarHBondContact O-CG2 3.21Å; F785-T789 PolarHBondContact O-N 3.42Å; F785-T789 PolarHBondContact O-OG1 3.48Å; F785-A909 HydrophobicContact CE1-CB 3.71Å; F785-A909 HydrophobicContact CZ-CB 4.49Å |
| 786 | L | 44.1 | Very low | 41.4 | Very low | 46 Ų | 46 | 83.6 Ų | 83.6 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 171.1 | -81.6 | 164.5 | 0 | 0 | 0 | 111.4 | N782 A783 T789 Q790 I916 | N782-L786 VanDerWaalsContact O-CB 3.24Å; N782-L786 WeakPolarHBondContact O-CB 3.42Å; N782-L786 WeakPolarHBondContact O-CD1 3.5Å; N782-L786 WeakPolarHBondContact O-CG 3.49Å; N782-L786 PolarHBondContact O-N 3.03Å; A783-L786 WeakPolarHBondContact O-CB 3.48Å; A783-L786 PolarHBondContact O-N 2.87Å; L786-T789 WeakPolarHBondContact CA-OG1 3.39Å; L786-T789 PolarHBondContact O-N 2.83Å; L786-T789 PolarHBondContact O-OG1 2.88Å; L786-Q790 WeakPolarHBondContact O-CB 3.43Å; L786-Q790 VanDerWaalsContact O-CG 3.25Å; L786-Q790 WeakPolarHBondContact O-CG 3.48Å; L786-Q790 PolarHBondContact O-N 2.9Å; L786-I916 HydrophobicContact CD2-CD1 4.05Å |
| 787 | E | 44 | Very low | 40.8 | Very low | 143 Ų | 143 | 80 Ų | 80 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.4 | -53.9 | 177.9 | -169.8 | 169 | -152.7 | 0 | 0 | 111.1 | A783 T789 Q790 E791 | A783-E787 WeakPolarHBondContact O-CB 3.45Å; A783-E787 PolarHBondContact O-N 3.25Å; E787-T789 VanDerWaalsContact C-N 3.34Å; E787-T789 PolarHBondContact O-N 3.08Å; E787-Q790 PolarHBondContact O-N 2.85Å; E787-E791 PolarHBondContact O-N 2.82Å |
| 788 | G | 39.9 | Very low | 40.1 | Very low | 36 Ų | 36 | 81.1 Ų | 81.1 | 37% | 0.371 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.7 | -30 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V784 C792 | V784-G788 PolarHBondContact O-N 3.48Å; V784-G788 VanDerWaalsContact O-N 3.09Å; G788-C792 WeakPolarHBondContact O-CB 3.4Å; G788-C792 PolarHBondContact O-N 2.83Å; G788-C792 VanDerWaalsContact O-N 3.12Å |
| 789 | T | 41.8 | Very low | 39.5 | Very low | 53 Ų | 53 | 86 Ų | 86 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -79.2 | -28.3 | 173.9 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | F785 L786 E787 K793 | F785-T789 HydrophobicContact CD1-CG2 4.1Å; F785-T789 HydrophobicContact CE1-CG2 3.78Å; F785-T789 HydrophobicContact CZ-CG2 4.02Å; F785-T789 WeakPolarHBondContact O-CB 3.27Å; F785-T789 VanDerWaalsContact O-CG2 3.32Å; F785-T789 WeakPolarHBondContact O-CG2 3.21Å; F785-T789 PolarHBondContact O-N 3.42Å; F785-T789 PolarHBondContact O-OG1 3.48Å; L786-T789 WeakPolarHBondContact CA-OG1 3.39Å; L786-T789 PolarHBondContact O-N 2.83Å; L786-T789 PolarHBondContact O-OG1 2.88Å; E787-T789 VanDerWaalsContact C-N 3.34Å; E787-T789 PolarHBondContact O-N 3.08Å; T789-K793 VanDerWaalsContact O-CB 3.22Å; T789-K793 WeakPolarHBondContact O-CB 3.43Å; T789-K793 PolarHBondContact O-N 2.71Å |
| 790 | Q | 35.2 | Very low | 39.1 | Very low | 117 Ų | 117 | 83.4 Ų | 83.4 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 170.1 | -76.8 | -177.3 | 32.1 | 0 | 0 | 111.8 | L786 E787 K793 Y794 | L786-Q790 WeakPolarHBondContact O-CB 3.43Å; L786-Q790 VanDerWaalsContact O-CG 3.25Å; L786-Q790 WeakPolarHBondContact O-CG 3.48Å; L786-Q790 PolarHBondContact O-N 2.9Å; E787-Q790 PolarHBondContact O-N 2.85Å; Q790-K793 WeakPolarHBondContact O-CB 3.3Å; Q790-K793 PolarHBondContact O-N 3.43Å; Q790-K793 VanDerWaalsContact O-N 3.11Å; Q790-Y794 PolarHBondContact O-N 3.33Å |
| 791 | E | 36.6 | Very low | 38.7 | Very low | 145 Ų | 145 | 82.1 Ų | 82.1 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.1 | -47.4 | 173 | -171.6 | -179.7 | -141.1 | 0 | 0 | 111 | E787 K793 Y794 L795 | E787-E791 PolarHBondContact O-N 2.82Å; E791-K793 VanDerWaalsContact C-N 3.26Å; E791-K793 PolarHBondContact O-N 2.84Å; E791-Y794 PolarHBondContact O-N 2.98Å; E791-L795 PolarHBondContact O-N 2.85Å |
| 792 | C | 33.6 | Very low | 38.2 | Very low | 53 Ų | 53 | 86 Ų | 86 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -27.5 | 174.9 | -163.8 | 0 | 0 | 0 | 0 | 113.2 | G788 R796 | G788-C792 WeakPolarHBondContact O-CB 3.4Å; G788-C792 PolarHBondContact O-N 2.83Å; G788-C792 VanDerWaalsContact O-N 3.12Å; C792-R796 PolarHBondContact O-N 3.3Å |
| 793 | K | 33.5 | Very low | 37.5 | Very low | 76 Ų | 76 | 94.9 Ų | 94.9 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.3 | -40.2 | 175.5 | -172.2 | -178.9 | -175.4 | -178.6 | 0 | 112.2 | T789 Q790 E791 L795 R796 C797 G913 | T789-K793 VanDerWaalsContact O-CB 3.22Å; T789-K793 WeakPolarHBondContact O-CB 3.43Å; T789-K793 PolarHBondContact O-N 2.71Å; Q790-K793 WeakPolarHBondContact O-CB 3.3Å; Q790-K793 PolarHBondContact O-N 3.43Å; Q790-K793 VanDerWaalsContact O-N 3.11Å; E791-K793 VanDerWaalsContact C-N 3.26Å; E791-K793 PolarHBondContact O-N 2.84Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.46Å; K793-R796 CarbonylContact O-C 3.5Å; K793-R796 WeakPolarHBondContact O-CA 3.46Å; K793-R796 WeakPolarHBondContact O-CB 3.41Å; K793-R796 PolarHBondContact O-N 3Å; K793-C797 PolarHBondContact O-N 3Å; K793-C797 PolarHBondContact O-SG 2.88Å; K793-G913 VanDerWaalsContact CE-O 3.24Å; K793-G913 WeakPolarHBondContact CE-O 3.24Å; K793-G913 PolarHBondContact NZ-O 3.5Å |
| 794 | Y | 32.2 | Very low | 36.9 | Very low | 98 Ų | 98 | 97.9 Ų | 97.9 | 38% | 0.384 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 173.6 | -110.3 | -92.7 | 0 | 0 | 0 | 110.8 | Q790 E791 R796 C797 G798 S978 L1021 | Q790-Y794 PolarHBondContact O-N 3.33Å; E791-Y794 PolarHBondContact O-N 2.98Å; Y794-R796 PolarHBondContact O-N 3.03Å; Y794-C797 PolarHBondContact O-N 2.93Å; Y794-G798 PolarHBondContact O-N 3.04Å; Y794-S978 WeakPolarHBondContact OH-CB 3.25Å; Y794-S978 PolarHBondContact OH-OG 3.4Å; Y794-L1021 HydrophobicContact CD1-CD1 4.15Å; Y794-L1021 HydrophobicContact CE1-CD1 3.52Å |
| 795 | L | 35.5 | Very low | 36.2 | Very low | 131 Ų | 131 | 98.9 Ų | 98.9 | 69% | 0.686 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.3 | -25.5 | 174.3 | -70.2 | 168.6 | 0 | 0 | 0 | 114 | E791 K793 | E791-L795 PolarHBondContact O-N 2.85Å; K793-L795 VanDerWaalsContact C-N 3.32Å; K793-L795 PolarHBondContact O-N 3.46Å |
| 796 | R | 33.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 101.4 Ų | 101.4 | 70% | 0.698 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -87.1 | -30.6 | 176.7 | -166.6 | 176.8 | -64.1 | -177 | 1.1 | 112.7 | C792 K793 Y794 L799 | C792-R796 PolarHBondContact O-N 3.3Å; K793-R796 CarbonylContact O-C 3.5Å; K793-R796 WeakPolarHBondContact O-CA 3.46Å; K793-R796 WeakPolarHBondContact O-CB 3.41Å; K793-R796 PolarHBondContact O-N 3Å; Y794-R796 PolarHBondContact O-N 3.03Å; R796-L799 PolarHBondContact O-N 2.89Å |
| 797 | C | 35.3 | Very low | 34.7 | Very low | 60 Ų | 60 | 104.2 Ų | 104.2 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.3 | -36.9 | 178.6 | -76.4 | 0 | 0 | 0 | 0 | 112.5 | K793 Y794 L799 G800 | K793-C797 PolarHBondContact O-N 3Å; K793-C797 PolarHBondContact O-SG 2.88Å; Y794-C797 PolarHBondContact O-N 2.93Å; C797-L799 PolarHBondContact O-N 2.91Å; C797-G800 PolarHBondContact O-N 2.85Å |
| 798 | G | 32.8 | Very low | 33.9 | Very low | 42 Ų | 42 | 103.1 Ų | 103.1 | 43% | 0.433 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | 2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y794 | Y794-G798 PolarHBondContact O-N 3.04Š|
| 799 | L | 35.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 106 Ų | 106 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -0.7 | 168.7 | -71.2 | 166.8 | 0 | 0 | 0 | 112.3 | R796 C797 | R796-L799 PolarHBondContact O-N 2.89Å; C797-L799 PolarHBondContact O-N 2.91Å |
| 800 | G | 37.6 | Very low | 32.8 | Very low | 45 Ų | 45 | 110.2 Ų | 110.2 | 46% | 0.464 | 62% | 0.618 | S | S | . | * | G | 310 helix | trans | -75.8 | -21.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C797 C802 R803 | C797-G800 PolarHBondContact O-N 2.85Å; G800-C802 VanDerWaalsContact C-N 3.35Å; G800-C802 PolarHBondContact O-N 2.97Å; G800-R803 WeakPolarHBondContact O-CB 3.32Å; G800-R803 PolarHBondContact O-N 3.42Å |
| 801 | H | 38.6 | Very low | 32.5 | Very low | 64 Ų | 64 | 109.1 Ų | 109.1 | 30% | 0.296 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -72.3 | -20.6 | -174.8 | -88.8 | 103 | 0 | 0 | 0 | 115 | R803 E1020 | H801-R803 PolarHBondContact O-N 3.35Å; H801-E1020 WeakPolarHBondContact CB-OE1 3.32Å; H801-E1020 IonicContact CE1-OE2 2.7Å; H801-E1020 IonicContact CG-OE1 2.66Å; H801-E1020 IonicContact CG-OE2 3.03Å; H801-E1020 WeakPolarHBondContact ND1-CG 3.45Å; H801-E1020 IonicContact ND1-OE1 2.64Å; H801-E1020 PolarHBondContact ND1-OE1 3.09Å; H801-E1020 IonicContact ND1-OE2 3.07Å; H801-E1020 PolarHBondContact ND1-OE2 3.35Å |
| 802 | C | 34.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 109.6 Ų | 109.6 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -68.8 | 3 | 175.6 | -71.5 | 0 | 0 | 0 | 0 | 114.6 | G800 S804 S805 | G800-C802 VanDerWaalsContact C-N 3.35Å; G800-C802 PolarHBondContact O-N 2.97Å; C802-S804 PolarHBondContact O-N 2.91Å; C802-S805 PolarHBondContact O-N 2.97Å |
| 803 | R | 32.3 | Very low | 32.2 | Very low | 238 Ų | 238 | 113.1 Ų | 113.1 | 90% | 0.898 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -70.9 | -9.4 | -174.2 | -158.2 | 170.6 | -170.5 | 174.5 | 3.5 | 115 | G800 H801 | G800-R803 WeakPolarHBondContact O-CB 3.32Å; G800-R803 PolarHBondContact O-N 3.42Å; H801-R803 PolarHBondContact O-N 3.35Å |
| 804 | S | 32.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -91.5 | -11.1 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | C802 | C802-S804 PolarHBondContact O-N 2.91Š|
| 805 | S | 28.6 | Very low | 32 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -113.5 | 6.4 | -166.8 | -166.8 | 0 | 0 | 0 | 0 | 115.9 | C802 | C802-S805 PolarHBondContact O-N 2.97Š|
| 806 | L | 28.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 114.4 Ų | 114.4 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | trans | -144.4 | 64.4 | -176.9 | -151.1 | 76.1 | 0 | 0 | 0 | 113.7 | T808 | L806-T808 PolarHBondContact O-N 3.41Å; L806-T808 VanDerWaalsContact O-N 3.17Å | ||
| 807 | A | 27.7 | Very low | 32 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 87% | 0.868 | 64% | 0.643 | S | S | * | * | trans | -79.5 | 18.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 808 | T | 26.1 | Very low | 31.9 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | trans | -143.7 | 68.3 | -168.6 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | L806 | L806-T808 PolarHBondContact O-N 3.41Å; L806-T808 VanDerWaalsContact O-N 3.17Å | ||
| 809 | C | 29.9 | Very low | 32 | Very low | 97 Ų | 97 | 116 Ų | 116 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | trans | -159.2 | 131.2 | 157.7 | -130 | 0 | 0 | 0 | 0 | 109.9 | D811 | C809-D811 VanDerWaalsContact C-N 3.34Å; C809-D811 PolarHBondContact O-N 2.88Å; C809-D811 PolarHBondContact SG-OD2 2.81Å | ||
| 810 | T | 27.9 | Very low | 31.9 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 86% | 0.859 | 65% | 0.648 | S | S | * | * | trans | -95.4 | 20.9 | -174.4 | 43 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 811 | D | 29.7 | Very low | 31.8 | Very low | 95 Ų | 95 | 116 Ų | 116 | 51% | 0.508 | 65% | 0.653 | S | S | . | * | trans | -105.9 | 11.8 | -165.3 | -55.9 | -72.1 | 0 | 0 | 0 | 114.4 | C809 | C809-D811 VanDerWaalsContact C-N 3.34Å; C809-D811 PolarHBondContact O-N 2.88Å; C809-D811 PolarHBondContact SG-OD2 2.81Å | ||
| 812 | F | 32.3 | Very low | 31.5 | Very low | 154 Ų | 154 | 115.8 Ų | 115.8 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.4 | -28.6 | -173.4 | -156.2 | -95.9 | 0 | 0 | 0 | 114.1 | Q814 L815 | F812-Q814 PolarHBondContact O-N 3.3Å; F812-L815 PolarHBondContact O-N 3.48Å |
| 813 | D | 32.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 68% | 0.684 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -33.7 | -175.6 | -68.3 | -31.7 | 0 | 0 | 0 | 112.9 | L815 T816 | D813-L815 VanDerWaalsContact C-N 3.33Å; D813-L815 PolarHBondContact O-N 2.95Å; D813-T816 WeakPolarHBondContact O-CB 3.4Å; D813-T816 PolarHBondContact O-N 2.99Å |
| 814 | Q | 32.3 | Very low | 32.2 | Very low | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.1 | -29.9 | 179.3 | -65.6 | -165.5 | 47.4 | 0 | 0 | 113.2 | F812 T816 I817 A818 | F812-Q814 PolarHBondContact O-N 3.3Å; Q814-T816 VanDerWaalsContact C-N 3.26Å; Q814-T816 PolarHBondContact O-N 3.2Å; Q814-I817 PolarHBondContact O-N 3.09Å; Q814-A818 PolarHBondContact O-N 2.99Å |
| 815 | L | 29.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -26.8 | 176.4 | -87.3 | 163.3 | 0 | 0 | 0 | 112.7 | F812 D813 Q819 | F812-L815 PolarHBondContact O-N 3.48Å; D813-L815 VanDerWaalsContact C-N 3.33Å; D813-L815 PolarHBondContact O-N 2.95Å; L815-Q819 PolarHBondContact O-N 2.83Å |
| 816 | T | 33.3 | Very low | 33.2 | Very low | 71 Ų | 71 | 100.7 Ų | 100.7 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.5 | -44.7 | 177.8 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | D813 Q814 A818 Q819 D820 | D813-T816 WeakPolarHBondContact O-CB 3.4Å; D813-T816 PolarHBondContact O-N 2.99Å; Q814-T816 VanDerWaalsContact C-N 3.26Å; Q814-T816 PolarHBondContact O-N 3.2Å; T816-A818 VanDerWaalsContact C-N 3.29Å; T816-A818 PolarHBondContact O-N 3.43Å; T816-Q819 PolarHBondContact O-N 2.94Å; T816-Q819 VanDerWaalsContact O-N 3.1Å; T816-D820 PolarHBondContact O-N 3.41Å |
| 817 | I | 35.6 | Very low | 33.9 | Very low | 123 Ų | 123 | 96.4 Ų | 96.4 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.3 | -34.5 | 179.3 | -59.5 | 170.4 | 0 | 0 | 0 | 111.7 | Q814 S821 | Q814-I817 PolarHBondContact O-N 3.09Å; I817-S821 PolarHBondContact O-OG 3.11Å; I817-S821 VanDerWaalsContact O-OG 3.11Å |
| 818 | A | 32.5 | Very low | 34.8 | Very low | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.4 | -25 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q814 T816 S821 | Q814-A818 PolarHBondContact O-N 2.99Å; T816-A818 VanDerWaalsContact C-N 3.29Å; T816-A818 PolarHBondContact O-N 3.43Å; A818-S821 PolarHBondContact O-OG 2.81Å |
| 819 | Q | 34.7 | Very low | 35.6 | Very low | 142 Ų | 142 | 100.9 Ų | 100.9 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -80.9 | -38.7 | 178 | -74.5 | -168.4 | -16.9 | 0 | 0 | 112.9 | L815 T816 S821 A822 S823 | L815-Q819 PolarHBondContact O-N 2.83Å; T816-Q819 PolarHBondContact O-N 2.94Å; T816-Q819 VanDerWaalsContact O-N 3.1Å; Q819-S821 VanDerWaalsContact C-N 3.31Å; Q819-S821 PolarHBondContact O-N 2.9Å; Q819-A822 PolarHBondContact O-N 2.87Å; Q819-S823 VanDerWaalsContact O-CB 3.31Å; Q819-S823 WeakPolarHBondContact O-CB 3.33Å; Q819-S823 PolarHBondContact O-N 3.3Å |
| 820 | D | 33.3 | Very low | 36 | Very low | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 177.9 | -81.7 | -21.9 | 0 | 0 | 0 | 112.3 | T816 S823 D824 | T816-D820 PolarHBondContact O-N 3.41Å; D820-S823 WeakPolarHBondContact O-CB 3.3Å; D820-S823 PolarHBondContact O-N 2.96Å; D820-D824 PolarHBondContact O-N 2.72Å; D820-D824 VanDerWaalsContact O-N 3.15Å |
| 821 | S | 35.8 | Very low | 36.8 | Very low | 81 Ų | 81 | 97.3 Ų | 97.3 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.5 | -34.5 | -179.5 | 43.5 | 0 | 0 | 0 | 0 | 113.5 | I817 A818 Q819 | I817-S821 PolarHBondContact O-OG 3.11Å; I817-S821 VanDerWaalsContact O-OG 3.11Å; A818-S821 PolarHBondContact O-OG 2.81Å; Q819-S821 VanDerWaalsContact C-N 3.31Å; Q819-S821 PolarHBondContact O-N 2.9Å |
| 822 | A | 32.6 | Very low | 37.7 | Very low | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.3 | -33.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q819 N826 | Q819-A822 PolarHBondContact O-N 2.87Å; A822-N826 PolarHBondContact O-N 2.87Å |
| 823 | S | 42.3 | Very low | 38.3 | Very low | 40 Ų | 40 | 95.4 Ų | 95.4 | 28% | 0.28 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | Q819 D820 A825 N826 N827 | Q819-S823 VanDerWaalsContact O-CB 3.31Å; Q819-S823 WeakPolarHBondContact O-CB 3.33Å; Q819-S823 PolarHBondContact O-N 3.3Å; D820-S823 WeakPolarHBondContact O-CB 3.3Å; D820-S823 PolarHBondContact O-N 2.96Å; S823-A825 VanDerWaalsContact C-N 3.3Å; S823-A825 PolarHBondContact O-N 2.61Å; S823-N826 PolarHBondContact O-N 3.06Å; S823-N826 VanDerWaalsContact O-N 3.1Å; S823-N827 PolarHBondContact O-N 2.88Å; S823-N827 PolarHBondContact O-ND2 3.34Å; S823-N827 VanDerWaalsContact O-ND2 3.11Å; S823-N827 PolarHBondContact OG-ND2 3.44Å |
| 824 | D | 38.4 | Very low | 39 | Very low | 74 Ų | 74 | 92.1 Ų | 92.1 | 40% | 0.396 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | -172.6 | -145.7 | 58.1 | 0 | 0 | 0 | 113.2 | D820 R828 | D820-D824 PolarHBondContact O-N 2.72Å; D820-D824 VanDerWaalsContact O-N 3.15Å; D824-R828 VanDerWaalsContact O-CG 3.25Å; D824-R828 WeakPolarHBondContact O-CG 3.45Å; D824-R828 PolarHBondContact O-N 2.9Å; D824-R828 IonicContact OD2-CZ 3.51Å; D824-R828 VanDerWaalsContact OD2-CZ 3.25Å; D824-R828 IonicContact OD2-NE 3.86Å; D824-R828 PolarHBondContact OD2-NE 2.94Å; D824-R828 IonicContact OD2-NH2 3.84Å; D824-R828 PolarHBondContact OD2-NH2 3.28Å |
| 825 | A | 40 | Very low | 39.8 | Very low | 52 Ų | 52 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S823 R829 | S823-A825 VanDerWaalsContact C-N 3.3Å; S823-A825 PolarHBondContact O-N 2.61Å; A825-R829 PolarHBondContact O-N 3.31Å |
| 826 | N | 43.2 | Very low | 40.7 | Very low | 78 Ų | 78 | 90.8 Ų | 90.8 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -72.4 | -38.4 | 174.7 | -87.1 | -25.1 | 0 | 0 | 0 | 111.8 | A822 S823 R828 R829 M830 | A822-N826 PolarHBondContact O-N 2.87Å; S823-N826 PolarHBondContact O-N 3.06Å; S823-N826 VanDerWaalsContact O-N 3.1Å; N826-R828 PolarHBondContact O-N 3.44Å; N826-R829 PolarHBondContact O-N 3.28Å; N826-M830 WeakPolarHBondContact O-CB 3.43Å; N826-M830 PolarHBondContact O-N 3.46Å |
| 827 | N | 43 | Very low | 41.3 | Very low | 48 Ų | 48 | 89 Ų | 89 | 26% | 0.257 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.4 | -63.9 | -28.1 | 0 | 0 | 0 | 111.2 | S823 M830 L831 | S823-N827 PolarHBondContact O-N 2.88Å; S823-N827 PolarHBondContact O-ND2 3.34Å; S823-N827 VanDerWaalsContact O-ND2 3.11Å; S823-N827 PolarHBondContact OG-ND2 3.44Å; N827-M830 PolarHBondContact O-N 3.1Å; N827-L831 WeakPolarHBondContact O-CG 3.33Å; N827-L831 PolarHBondContact O-N 3.26Å |
| 828 | R | 45.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 84.3 Ų | 84.3 | 59% | 0.592 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.3 | -47.9 | 174.9 | -70.5 | 170.4 | -163.1 | -141.9 | 7.5 | 112.5 | D824 N826 M830 L831 E832 | D824-R828 VanDerWaalsContact O-CG 3.25Å; D824-R828 WeakPolarHBondContact O-CG 3.45Å; D824-R828 PolarHBondContact O-N 2.9Å; D824-R828 IonicContact OD2-CZ 3.51Å; D824-R828 VanDerWaalsContact OD2-CZ 3.25Å; D824-R828 IonicContact OD2-NE 3.86Å; D824-R828 PolarHBondContact OD2-NE 2.94Å; D824-R828 IonicContact OD2-NH2 3.84Å; D824-R828 PolarHBondContact OD2-NH2 3.28Å; N826-R828 PolarHBondContact O-N 3.44Å; R828-M830 VanDerWaalsContact C-N 3.3Å; R828-M830 PolarHBondContact O-N 3.4Å; R828-L831 WeakPolarHBondContact O-CB 3.31Å; R828-L831 PolarHBondContact O-N 2.96Å; R828-E832 WeakPolarHBondContact O-CG 3.48Å; R828-E832 PolarHBondContact O-N 2.66Å |
| 829 | R | 43 | Very low | 42.6 | Very low | 163 Ų | 163 | 84.4 Ų | 84.4 | 62% | 0.615 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.2 | -33.4 | 176.6 | -80.6 | 179.8 | 170.9 | 154.4 | 0.1 | 113.7 | A825 N826 I833 | A825-R829 PolarHBondContact O-N 3.31Å; N826-R829 PolarHBondContact O-N 3.28Å; R829-I833 WeakPolarHBondContact O-CG1 3.31Å; R829-I833 PolarHBondContact O-N 2.74Å |
| 830 | M | 39.9 | Very low | 43.3 | Very low | 98 Ų | 98 | 81.1 Ų | 81.1 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 174.9 | -168.2 | 165 | -71.5 | 0 | 0 | 111.2 | N826 N827 R828 F834 | N826-M830 WeakPolarHBondContact O-CB 3.43Å; N826-M830 PolarHBondContact O-N 3.46Å; N827-M830 PolarHBondContact O-N 3.1Å; R828-M830 VanDerWaalsContact C-N 3.3Å; R828-M830 PolarHBondContact O-N 3.4Å; M830-F834 WeakPolarHBondContact O-CB 3.47Å; M830-F834 PolarHBondContact O-N 2.92Å; M830-F834 VanDerWaalsContact O-N 3.14Å |
| 831 | L | 44.6 | Very low | 43.9 | Very low | 63 Ų | 63 | 77.5 Ų | 77.5 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 173 | -74.2 | 160.8 | 0 | 0 | 0 | 112.4 | N827 R828 F834 N835 L903 | N827-L831 WeakPolarHBondContact O-CG 3.33Å; N827-L831 PolarHBondContact O-N 3.26Å; R828-L831 WeakPolarHBondContact O-CB 3.31Å; R828-L831 PolarHBondContact O-N 2.96Å; L831-F834 PolarHBondContact O-N 2.87Å; L831-N835 WeakPolarHBondContact O-CB 3.25Å; L831-N835 PolarHBondContact O-N 2.91Å; L831-L903 HydrophobicContact CD1-CD2 3.87Å; L831-L903 HydrophobicContact CD2-CD2 3.89Å; L831-L903 HydrophobicContact CD2-CG 4.49Å; L831-L903 HydrophobicContact CG-CD2 4.47Å |
| 832 | E | 47.2 | Very low | 44.5 | Very low | 114 Ų | 114 | 74.5 Ų | 74.5 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.2 | -52.8 | 177.4 | -73 | 165.3 | 173.8 | 0 | 0 | 111.7 | R828 F834 N835 D836 | R828-E832 WeakPolarHBondContact O-CG 3.48Å; R828-E832 PolarHBondContact O-N 2.66Å; E832-F834 VanDerWaalsContact C-N 3.27Å; E832-F834 PolarHBondContact O-N 2.83Å; E832-N835 PolarHBondContact O-N 3.41Å; E832-N835 VanDerWaalsContact O-N 3.14Å; E832-D836 PolarHBondContact O-N 3.02Å |
| 833 | I | 46.7 | Very low | 45.5 | Very low | 95 Ų | 95 | 76.8 Ų | 76.8 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -34 | -179.7 | -64.9 | 168.2 | 0 | 0 | 0 | 111.7 | R829 S837 | R829-I833 WeakPolarHBondContact O-CG1 3.31Å; R829-I833 PolarHBondContact O-N 2.74Å; I833-S837 WeakPolarHBondContact O-CB 3.11Å; I833-S837 PolarHBondContact O-N 3.25Å; I833-S837 PolarHBondContact O-OG 2.88Å |
| 834 | F | 46 | Very low | 45.9 | Very low | 60 Ų | 60 | 80.3 Ų | 80.3 | 26% | 0.263 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68 | -45.8 | 174.6 | -144.4 | -107.9 | 0 | 0 | 0 | 110.8 | F778 M830 L831 E832 D836 S837 F838 L902 | F778-F834 HydrophobicContact CE1-CE1 4.2Å; F778-F834 HydrophobicContact CE1-CZ 4.26Å; F778-F834 HydrophobicContact CZ-CE1 4.23Å; M830-F834 WeakPolarHBondContact O-CB 3.47Å; M830-F834 PolarHBondContact O-N 2.92Å; M830-F834 VanDerWaalsContact O-N 3.14Å; L831-F834 PolarHBondContact O-N 2.87Å; E832-F834 VanDerWaalsContact C-N 3.27Å; E832-F834 PolarHBondContact O-N 2.83Å; F834-D836 PolarHBondContact O-N 3.22Å; F834-S837 WeakPolarHBondContact O-CB 3.37Å; F834-S837 PolarHBondContact O-N 3.22Å; F834-S837 VanDerWaalsContact O-N 3.17Å; F834-F838 AromaticContact CD1-CD2 3.83Å; F834-F838 HydrophobicContact CD1-CD2 3.83Å; F834-F838 AromaticContact CD1-CE2 3.64Å; F834-F838 HydrophobicContact CD1-CE2 3.64Å; F834-F838 HydrophobicContact CD1-CZ 4.48Å; F834-F838 AromaticContact CE1-CD2 3.95Å; F834-F838 HydrophobicContact CE1-CD2 3.95Å; F834-F838 AromaticContact CE1-CE2 3.27Å; F834-F838 HydrophobicContact CE1-CE2 3.27Å; F834-F838 AromaticContact CE1-CZ 3.77Å; F834-F838 HydrophobicContact CE1-CZ 3.77Å; F834-F838 HydrophobicContact CE2-CE2 4.23Å; F834-F838 HydrophobicContact CG-CD2 4.37Å; F834-F838 HydrophobicContact CG-CE2 4.27Å; F834-F838 AromaticContact CZ-CE2 3.6Å; F834-F838 HydrophobicContact CZ-CE2 3.6Å; F834-F838 HydrophobicContact CZ-CZ 4.11Å; F834-F838 WeakPolarHBondContact O-CD2 3.43Å; F834-F838 PolarHBondContact O-N 2.69Å; F834-L902 HydrophobicContact CD1-CD2 4.44Å; F834-L902 HydrophobicContact CE1-CD2 4.05Å; F834-L902 HydrophobicContact CZ-CD2 4.25Å |
| 835 | N | 47.9 | Very low | 46.4 | Very low | 111 Ų | 111 | 79.1 Ų | 79.1 | 59% | 0.594 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | -177.4 | -154.3 | 33.3 | 0 | 0 | 0 | 112 | L831 E832 S837 F838 A839 | L831-N835 WeakPolarHBondContact O-CB 3.25Å; L831-N835 PolarHBondContact O-N 2.91Å; E832-N835 PolarHBondContact O-N 3.41Å; E832-N835 VanDerWaalsContact O-N 3.14Å; N835-S837 VanDerWaalsContact C-N 3.33Å; N835-S837 PolarHBondContact O-N 2.94Å; N835-F838 PolarHBondContact O-N 2.97Å; N835-A839 WeakPolarHBondContact O-CB 3.4Å; N835-A839 PolarHBondContact O-N 3.17Å |
| 836 | D | 49 | Very low | 46.9 | Very low | 121 Ų | 121 | 80.8 Ų | 80.8 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 174.2 | -76.3 | -15.6 | 0 | 0 | 0 | 112.2 | E832 F834 A839 S840 | E832-D836 PolarHBondContact O-N 3.02Å; F834-D836 PolarHBondContact O-N 3.22Å; D836-A839 PolarHBondContact O-N 3.48Å; D836-S840 PolarHBondContact O-N 3.5Å |
| 837 | S | 46.8 | Very low | 47.5 | Very low | 32 Ų | 32 | 79.9 Ų | 79.9 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | I833 F834 N835 S840 M841 | I833-S837 WeakPolarHBondContact O-CB 3.11Å; I833-S837 PolarHBondContact O-N 3.25Å; I833-S837 PolarHBondContact O-OG 2.88Å; F834-S837 WeakPolarHBondContact O-CB 3.37Å; F834-S837 PolarHBondContact O-N 3.22Å; F834-S837 VanDerWaalsContact O-N 3.17Å; N835-S837 VanDerWaalsContact C-N 3.33Å; N835-S837 PolarHBondContact O-N 2.94Å; S837-S840 PolarHBondContact O-N 2.95Å; S837-S840 PolarHBondContact O-OG 3.09Å; S837-M841 PolarHBondContact O-N 3.14Å |
| 838 | F | 46.4 | Very low | 47.9 | Very low | 25 Ų | 25 | 79 Ų | 79 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -71.6 | -33 | 177.7 | -85.6 | -106.3 | 0 | 0 | 0 | 112.8 | L777 F834 N835 S840 M841 G842 M895 | L777-F838 HydrophobicContact CD2-CZ 4.22Å; F834-F838 AromaticContact CD1-CD2 3.83Å; F834-F838 HydrophobicContact CD1-CD2 3.83Å; F834-F838 AromaticContact CD1-CE2 3.64Å; F834-F838 HydrophobicContact CD1-CE2 3.64Å; F834-F838 HydrophobicContact CD1-CZ 4.48Å; F834-F838 AromaticContact CE1-CD2 3.95Å; F834-F838 HydrophobicContact CE1-CD2 3.95Å; F834-F838 AromaticContact CE1-CE2 3.27Å; F834-F838 HydrophobicContact CE1-CE2 3.27Å; F834-F838 AromaticContact CE1-CZ 3.77Å; F834-F838 HydrophobicContact CE1-CZ 3.77Å; F834-F838 HydrophobicContact CE2-CE2 4.23Å; F834-F838 HydrophobicContact CG-CD2 4.37Å; F834-F838 HydrophobicContact CG-CE2 4.27Å; F834-F838 AromaticContact CZ-CE2 3.6Å; F834-F838 HydrophobicContact CZ-CE2 3.6Å; F834-F838 HydrophobicContact CZ-CZ 4.11Å; F834-F838 WeakPolarHBondContact O-CD2 3.43Å; F834-F838 PolarHBondContact O-N 2.69Å; N835-F838 PolarHBondContact O-N 2.97Å; F838-S840 VanDerWaalsContact C-N 3.25Å; F838-S840 PolarHBondContact O-N 3.34Å; F838-M841 HydrophobicContact CD1-CE 4.03Å; F838-M841 HydrophobicContact CE1-CE 3.9Å; F838-M841 HydrophobicContact CE2-CE 4.38Å; F838-M841 HydrophobicContact CG-CE 4.35Å; F838-M841 HydrophobicContact CZ-CE 4.08Å; F838-M841 WeakPolarHBondContact O-CB 3.31Å; F838-M841 PolarHBondContact O-N 3.3Å; F838-M841 VanDerWaalsContact O-N 3.17Å; F838-G842 PolarHBondContact O-N 2.81Å; F838-M895 HydrophobicContact CB-SD 4.32Å |
| 839 | A | 48.3 | Very low | 48.2 | Very low | 59 Ų | 59 | 72.2 Ų | 72.2 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N835 D836 Q843 | N835-A839 WeakPolarHBondContact O-CB 3.4Å; N835-A839 PolarHBondContact O-N 3.17Å; D836-A839 PolarHBondContact O-N 3.48Å; A839-Q843 PolarHBondContact O-N 3.27Å |
| 840 | S | 48.4 | Very low | 48.6 | Very low | 73 Ų | 73 | 69.8 Ų | 69.8 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 174 | 82.3 | 0 | 0 | 0 | 0 | 112.6 | D836 S837 F838 G842 Q843 E844 | D836-S840 PolarHBondContact O-N 3.5Å; S837-S840 PolarHBondContact O-N 2.95Å; S837-S840 PolarHBondContact O-OG 3.09Å; F838-S840 VanDerWaalsContact C-N 3.25Å; F838-S840 PolarHBondContact O-N 3.34Å; S840-G842 VanDerWaalsContact C-N 3.32Å; S840-G842 PolarHBondContact O-N 2.76Å; S840-Q843 PolarHBondContact O-N 2.76Å; S840-E844 PolarHBondContact O-N 3.21Å |
| 841 | M | 46.9 | Very low | 49.6 | Very low | 24 Ų | 24 | 71.9 Ų | 71.9 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 177.5 | -163 | -168.2 | -52.8 | 0 | 0 | 112 | L704 S837 F838 Q843 E844 I845 | L704-M841 HydrophobicContact CD1-SD 4.15Å; L704-M841 HydrophobicContact CD2-CG 3.98Å; L704-M841 HydrophobicContact CD2-SD 4.37Å; S837-M841 PolarHBondContact O-N 3.14Å; F838-M841 HydrophobicContact CD1-CE 4.03Å; F838-M841 HydrophobicContact CE1-CE 3.9Å; F838-M841 HydrophobicContact CE2-CE 4.38Å; F838-M841 HydrophobicContact CG-CE 4.35Å; F838-M841 HydrophobicContact CZ-CE 4.08Å; F838-M841 WeakPolarHBondContact O-CB 3.31Å; F838-M841 PolarHBondContact O-N 3.3Å; F838-M841 VanDerWaalsContact O-N 3.17Å; M841-Q843 VanDerWaalsContact C-N 3.28Å; M841-Q843 PolarHBondContact O-N 3.44Å; M841-E844 PolarHBondContact O-N 2.87Å; M841-I845 PolarHBondContact O-N 3.34Å; M841-I845 VanDerWaalsContact O-N 3.16Å |
| 842 | G | 48.8 | Very low | 50.1 | Low | 18 Ų | 18 | 70.9 Ų | 70.9 | 19% | 0.186 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -31.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F838 S840 K846 | F838-G842 PolarHBondContact O-N 2.81Å; S840-G842 VanDerWaalsContact C-N 3.32Å; S840-G842 PolarHBondContact O-N 2.76Å; G842-K846 WeakPolarHBondContact O-CB 3.43Å; G842-K846 PolarHBondContact O-N 2.63Å |
| 843 | Q | 52.8 | Low | 50.4 | Low | 107 Ų | 107 | 65.9 Ų | 65.9 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.9 | -39.1 | 172.6 | -56.8 | -56.6 | -35.3 | 0 | 0 | 111.8 | A839 S840 M841 I845 K846 T847 | A839-Q843 PolarHBondContact O-N 3.27Å; S840-Q843 PolarHBondContact O-N 2.76Å; M841-Q843 VanDerWaalsContact C-N 3.28Å; M841-Q843 PolarHBondContact O-N 3.44Å; Q843-I845 PolarHBondContact O-N 2.8Å; Q843-K846 WeakPolarHBondContact O-CB 3.38Å; Q843-K846 PolarHBondContact O-N 3.18Å; Q843-T847 WeakPolarHBondContact O-CG2 3.46Å; Q843-T847 PolarHBondContact O-N 3.2Å |
| 844 | E | 50.4 | Low | 50.8 | Low | 115 Ų | 115 | 65.3 Ų | 65.3 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -50.6 | 177.7 | -69.9 | -147.3 | 140.9 | 0 | 0 | 111.8 | S840 M841 K846 T847 V848 | S840-E844 PolarHBondContact O-N 3.21Å; M841-E844 PolarHBondContact O-N 2.87Å; E844-K846 VanDerWaalsContact C-N 3.29Å; E844-K846 PolarHBondContact O-N 2.86Å; E844-T847 PolarHBondContact O-N 3.02Å; E844-T847 PolarHBondContact O-OG1 3.03Å; E844-V848 PolarHBondContact O-N 3.38Å |
| 845 | I | 48.4 | Very low | 51.3 | Low | 49 Ų | 49 | 65.8 Ų | 65.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 178 | -66.3 | 171.6 | 0 | 0 | 0 | 110.8 | F770 M841 Q843 T847 V848 L849 I891 | F770-I845 HydrophobicContact CD2-CD1 4.35Å; F770-I845 HydrophobicContact CE2-CD1 3.83Å; M841-I845 PolarHBondContact O-N 3.34Å; M841-I845 VanDerWaalsContact O-N 3.16Å; Q843-I845 PolarHBondContact O-N 2.8Å; I845-T847 PolarHBondContact O-N 3.34Å; I845-V848 PolarHBondContact O-N 3.38Å; I845-L849 HydrophobicContact CG2-CD1 3.99Å; I845-L849 WeakPolarHBondContact O-CG 3.32Å; I845-L849 PolarHBondContact O-N 3.09Å; I845-I891 HydrophobicContact CG2-CD1 4.33Å |
| 846 | K | 50.7 | Low | 51.6 | Low | 87 Ų | 87 | 61.5 Ų | 61.5 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 174.6 | 175.3 | -176.1 | 166.1 | -164 | 0 | 112.4 | G842 Q843 E844 L849 Q850 | G842-K846 WeakPolarHBondContact O-CB 3.43Å; G842-K846 PolarHBondContact O-N 2.63Å; Q843-K846 WeakPolarHBondContact O-CB 3.38Å; Q843-K846 PolarHBondContact O-N 3.18Å; E844-K846 VanDerWaalsContact C-N 3.29Å; E844-K846 PolarHBondContact O-N 2.86Å; K846-L849 PolarHBondContact O-N 2.75Å; K846-Q850 WeakPolarHBondContact O-CB 3.47Å; K846-Q850 VanDerWaalsContact O-CG 3.29Å; K846-Q850 WeakPolarHBondContact O-CG 3.4Å; K846-Q850 PolarHBondContact O-N 3.02Å |
| 847 | T | 56.5 | Low | 51.8 | Low | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.362 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 177.1 | 68 | 0 | 0 | 0 | 0 | 113.6 | Q843 E844 I845 K851 | Q843-T847 WeakPolarHBondContact O-CG2 3.46Å; Q843-T847 PolarHBondContact O-N 3.2Å; E844-T847 PolarHBondContact O-N 3.02Å; E844-T847 PolarHBondContact O-OG1 3.03Å; I845-T847 PolarHBondContact O-N 3.34Å; T847-K851 VanDerWaalsContact O-CG 3.29Å; T847-K851 WeakPolarHBondContact O-CG 3.48Å; T847-K851 PolarHBondContact O-N 3.33Å; T847-K851 VanDerWaalsContact O-N 3.13Å |
| 848 | V | 51.9 | Low | 52.3 | Low | 29 Ų | 29 | 57.9 Ų | 57.9 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -48.7 | 174.8 | 174 | 0 | 0 | 0 | 0 | 110 | E844 I845 Q850 K851 Q852 | E844-V848 PolarHBondContact O-N 3.38Å; I845-V848 PolarHBondContact O-N 3.38Å; V848-Q850 PolarHBondContact O-N 2.9Å; V848-K851 PolarHBondContact O-N 3.05Å; V848-K851 VanDerWaalsContact O-N 3.16Å; V848-Q852 PolarHBondContact O-N 3.46Å |
| 849 | L | 50.8 | Low | 52.8 | Low | 15 Ų | 15 | 58.5 Ų | 58.5 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 177.4 | -70.9 | 168.4 | 0 | 0 | 0 | 112.1 | L715 I845 K846 K851 Q852 L853 L883 V887 | L715-L849 HydrophobicContact CD1-CD2 3.95Å; L715-L849 HydrophobicContact CD2-CD2 4.04Å; I845-L849 HydrophobicContact CG2-CD1 3.99Å; I845-L849 WeakPolarHBondContact O-CG 3.32Å; I845-L849 PolarHBondContact O-N 3.09Å; K846-L849 PolarHBondContact O-N 2.75Å; L849-K851 VanDerWaalsContact C-N 3.34Å; L849-K851 PolarHBondContact O-N 3.08Å; L849-Q852 PolarHBondContact O-N 3.38Å; L849-L853 WeakPolarHBondContact O-CB 3.37Å; L849-L853 PolarHBondContact O-N 3.48Å; L849-L883 HydrophobicContact CB-CD2 4.38Å; L849-V887 HydrophobicContact CD1-CG1 4.11Å; L849-V887 HydrophobicContact CD1-CG2 3.58Å |
| 850 | Q | 52.8 | Low | 53 | Low | 111 Ų | 111 | 57.6 Ų | 57.6 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -38.3 | 174.7 | -77 | 179.3 | -33.3 | 0 | 0 | 113 | K846 V848 L854 | K846-Q850 WeakPolarHBondContact O-CB 3.47Å; K846-Q850 VanDerWaalsContact O-CG 3.29Å; K846-Q850 WeakPolarHBondContact O-CG 3.4Å; K846-Q850 PolarHBondContact O-N 3.02Å; V848-Q850 PolarHBondContact O-N 2.9Å; Q850-L854 VanDerWaalsContact O-CB 3.3Å; Q850-L854 WeakPolarHBondContact O-CB 3.44Å; Q850-L854 PolarHBondContact O-N 3.23Å |
| 851 | K | 61.2 | Low | 53.3 | Low | 142 Ų | 142 | 58.3 Ų | 58.3 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68 | -43.8 | 177.3 | -76.6 | 168 | -178.3 | 169.6 | 0 | 112.4 | T847 V848 L849 L854 S855 | T847-K851 VanDerWaalsContact O-CG 3.29Å; T847-K851 WeakPolarHBondContact O-CG 3.48Å; T847-K851 PolarHBondContact O-N 3.33Å; T847-K851 VanDerWaalsContact O-N 3.13Å; V848-K851 PolarHBondContact O-N 3.05Å; V848-K851 VanDerWaalsContact O-N 3.16Å; L849-K851 VanDerWaalsContact C-N 3.34Å; L849-K851 PolarHBondContact O-N 3.08Å; K851-L854 PolarHBondContact O-N 3.49Å; K851-S855 PolarHBondContact O-N 3.15Å |
| 852 | Q | 54.7 | Low | 53.7 | Low | 43 Ų | 43 | 61.8 Ų | 61.8 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 178.7 | -62.6 | -68.8 | 2.5 | 0 | 0 | 111.5 | D712 L715 F719 V848 L849 L854 S855 L856 | D712-Q852 PolarHBondContact OD1-NE2 2.8Å; L715-Q852 HydrophobicContact CD1-CG 4.37Å; F719-Q852 HydrophobicContact CD2-CB 4.39Å; F719-Q852 HydrophobicContact CE2-CB 3.58Å; F719-Q852 HydrophobicContact CE2-CG 4.45Å; F719-Q852 HydrophobicContact CZ-CB 4.08Å; V848-Q852 PolarHBondContact O-N 3.46Å; L849-Q852 PolarHBondContact O-N 3.38Å; Q852-L854 PolarHBondContact O-N 2.9Å; Q852-S855 WeakPolarHBondContact O-CB 3.34Å; Q852-S855 PolarHBondContact O-N 2.81Å; Q852-L856 PolarHBondContact O-N 3.01Å |
| 853 | L | 52.3 | Low | 53.8 | Low | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.8 | -178.4 | 62.6 | 0 | 0 | 0 | 112.1 | L849 S855 L856 V857 I879 S880 L883 | L849-L853 WeakPolarHBondContact O-CB 3.37Å; L849-L853 PolarHBondContact O-N 3.48Å; L853-S855 VanDerWaalsContact C-N 3.29Å; L853-S855 PolarHBondContact O-N 2.89Å; L853-L856 PolarHBondContact O-N 2.86Å; L853-V857 WeakPolarHBondContact O-CG2 3.32Å; L853-V857 PolarHBondContact O-N 3.25Å; L853-I879 HydrophobicContact CD1-CG2 3.74Å; L853-I879 HydrophobicContact CD2-CG2 4.22Å; L853-S880 WeakPolarHBondContact CD2-OG 3.15Å; L853-L883 HydrophobicContact CD2-CD2 4.09Å |
| 854 | L | 56 | Low | 53.7 | Low | 84 Ų | 84 | 62.9 Ų | 62.9 | 44% | 0.44 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 175.9 | -173.5 | 64.7 | 0 | 0 | 0 | 112.1 | Q850 K851 Q852 N858 | Q850-L854 VanDerWaalsContact O-CB 3.3Å; Q850-L854 WeakPolarHBondContact O-CB 3.44Å; Q850-L854 PolarHBondContact O-N 3.23Å; K851-L854 PolarHBondContact O-N 3.49Å; Q852-L854 PolarHBondContact O-N 2.9Å; L854-N858 WeakPolarHBondContact O-CB 3.25Å; L854-N858 VanDerWaalsContact O-CG 3.28Å; L854-N858 PolarHBondContact O-N 3.13Å; L854-N858 PolarHBondContact O-ND2 2.87Å |
| 855 | S | 57.6 | Low | 53.7 | Low | 70 Ų | 70 | 64.8 Ų | 64.8 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.3 | -174 | 0 | 0 | 0 | 0 | 111.9 | K851 Q852 L853 N858 A859 | K851-S855 PolarHBondContact O-N 3.15Å; Q852-S855 WeakPolarHBondContact O-CB 3.34Å; Q852-S855 PolarHBondContact O-N 2.81Å; L853-S855 VanDerWaalsContact C-N 3.29Å; L853-S855 PolarHBondContact O-N 2.89Å; S855-N858 PolarHBondContact O-N 3.09Å; S855-A859 PolarHBondContact O-N 3.2Å |
| 856 | L | 52.4 | Low | 53.6 | Low | 20 Ų | 20 | 68.2 Ų | 68.2 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 177.1 | -170.7 | 77.3 | 0 | 0 | 0 | 111.9 | F719 F722 F758 Q852 L853 N858 A859 L860 | F719-L856 HydrophobicContact CB-CD1 4.26Å; F719-L856 HydrophobicContact CD1-CB 4.27Å; F719-L856 HydrophobicContact CD1-CD1 3.91Å; F719-L856 HydrophobicContact CD1-CD2 3.8Å; F719-L856 HydrophobicContact CD1-CG 4.21Å; F719-L856 HydrophobicContact CE1-CB 4.4Å; F719-L856 HydrophobicContact CE1-CD2 3.96Å; F719-L856 HydrophobicContact CG-CD1 4.47Å; F722-L856 HydrophobicContact CD1-CD2 4.22Å; F722-L856 HydrophobicContact CE1-CD2 4.13Å; F758-L856 HydrophobicContact CZ-CD2 4.12Å; Q852-L856 PolarHBondContact O-N 3.01Å; L853-L856 PolarHBondContact O-N 2.86Å; L856-N858 VanDerWaalsContact C-N 3.31Å; L856-N858 PolarHBondContact O-N 2.9Å; L856-A859 PolarHBondContact O-N 2.79Å; L856-A859 VanDerWaalsContact O-N 3.14Å; L856-L860 HydrophobicContact CD2-CD1 4.5Å; L856-L860 HydrophobicContact CG-CD1 4.21Å; L856-L860 WeakPolarHBondContact O-CG 3.35Å; L856-L860 PolarHBondContact O-N 3.04Å |
| 857 | V | 53.2 | Low | 53.6 | Low | 6 Ų | 6 | 70.5 Ų | 70.5 | 4% | 0.036 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 179.6 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L853 K861 K876 | L853-V857 WeakPolarHBondContact O-CG2 3.32Å; L853-V857 PolarHBondContact O-N 3.25Å; V857-K861 VanDerWaalsContact O-CB 3.29Å; V857-K861 WeakPolarHBondContact O-CB 3.42Å; V857-K861 PolarHBondContact O-N 3.49Å; V857-K876 HydrophobicContact CG1-CB 4.16Å; V857-K876 HydrophobicContact CG1-CD 3.96Å; V857-K876 HydrophobicContact CG1-CG 3.99Å; V857-K876 HydrophobicContact CG2-CB 4.28Å; V857-K876 HydrophobicContact CG2-CG 4.16Å |
| 858 | N | 57.6 | Low | 53.4 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 173.4 | -73.1 | -27.3 | 0 | 0 | 0 | 112.1 | L854 S855 L856 L860 K861 D862 | L854-N858 WeakPolarHBondContact O-CB 3.25Å; L854-N858 VanDerWaalsContact O-CG 3.28Å; L854-N858 PolarHBondContact O-N 3.13Å; L854-N858 PolarHBondContact O-ND2 2.87Å; S855-N858 PolarHBondContact O-N 3.09Å; L856-N858 VanDerWaalsContact C-N 3.31Å; L856-N858 PolarHBondContact O-N 2.9Å; N858-L860 PolarHBondContact O-N 2.88Å; N858-K861 WeakPolarHBondContact O-CB 3.13Å; N858-K861 PolarHBondContact O-N 2.79Å; N858-D862 WeakPolarHBondContact O-CB 3.29Å; N858-D862 PolarHBondContact O-N 3.3Å |
| 859 | A | 58 | Low | 53.5 | Low | 38 Ų | 38 | 78.6 Ų | 78.6 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S855 L856 S863 | S855-A859 PolarHBondContact O-N 3.2Å; L856-A859 PolarHBondContact O-N 2.79Å; L856-A859 VanDerWaalsContact O-N 3.14Å; A859-S863 PolarHBondContact O-N 3.08Å; A859-S863 PolarHBondContact O-OG 3.47Å |
| 860 | L | 51.8 | Low | 53.8 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.8 | -47.8 | 170.4 | -74 | 164.4 | 0 | 0 | 0 | 110.7 | M726 L856 N858 D862 S863 L864 | M726-L860 HydrophobicContact SD-CD2 4.2Å; L856-L860 HydrophobicContact CD2-CD1 4.5Å; L856-L860 HydrophobicContact CG-CD1 4.21Å; L856-L860 WeakPolarHBondContact O-CG 3.35Å; L856-L860 PolarHBondContact O-N 3.04Å; N858-L860 PolarHBondContact O-N 2.88Å; L860-D862 VanDerWaalsContact C-N 3.32Å; L860-D862 PolarHBondContact O-N 3.25Å; L860-S863 CarbonylContact O-C 3.58Å; L860-S863 WeakPolarHBondContact O-CA 3.34Å; L860-S863 WeakPolarHBondContact O-CB 3.16Å; L860-S863 PolarHBondContact O-N 3.01Å; L860-L864 WeakPolarHBondContact O-CB 3.44Å; L860-L864 WeakPolarHBondContact O-CG 3.45Å; L860-L864 PolarHBondContact O-N 3.06Å |
| 861 | K | 53.8 | Low | 53.9 | Low | 87 Ų | 87 | 80.2 Ų | 80.2 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 176.1 | -174.1 | 173.8 | -176.5 | 168.6 | 0 | 113.1 | V857 N858 S863 L864 L872 | V857-K861 VanDerWaalsContact O-CB 3.29Å; V857-K861 WeakPolarHBondContact O-CB 3.42Å; V857-K861 PolarHBondContact O-N 3.49Å; N858-K861 WeakPolarHBondContact O-CB 3.13Å; N858-K861 PolarHBondContact O-N 2.79Å; K861-S863 VanDerWaalsContact C-N 3.27Å; K861-S863 PolarHBondContact O-N 3.28Å; K861-L864 PolarHBondContact O-N 3.47Å; K861-L872 HydrophobicContact CB-CD2 3.85Å; K861-L872 HydrophobicContact CG-CD2 4.22Å |
| 862 | D | 56.3 | Low | 53.4 | Low | 98 Ų | 98 | 75.1 Ų | 75.1 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.7 | -23.3 | 175.6 | -93.7 | -47.8 | 0 | 0 | 0 | 113.5 | N858 L860 K865 | N858-D862 WeakPolarHBondContact O-CB 3.29Å; N858-D862 PolarHBondContact O-N 3.3Å; L860-D862 VanDerWaalsContact C-N 3.32Å; L860-D862 PolarHBondContact O-N 3.25Å; D862-K865 WeakPolarHBondContact O-CD 3.43Å; D862-K865 WeakPolarHBondContact O-CE 3.37Å; D862-K865 WeakPolarHBondContact O-CG 3.46Å; D862-K865 PolarHBondContact O-NZ 3.35Å; D862-K865 WeakPolarHBondContact OD1-CE 3.43Å; D862-K865 IonicContact OD1-NZ 2.67Å; D862-K865 PolarHBondContact OD1-NZ 2.76Å |
| 863 | S | 51.3 | Low | 53.4 | Low | 79 Ų | 79 | 76.5 Ų | 76.5 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -87.1 | -30.9 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | A859 L860 K861 K865 | A859-S863 PolarHBondContact O-N 3.08Å; A859-S863 PolarHBondContact O-OG 3.47Å; L860-S863 CarbonylContact O-C 3.58Å; L860-S863 WeakPolarHBondContact O-CA 3.34Å; L860-S863 WeakPolarHBondContact O-CB 3.16Å; L860-S863 PolarHBondContact O-N 3.01Å; K861-S863 VanDerWaalsContact C-N 3.27Å; K861-S863 PolarHBondContact O-N 3.28Å; S863-K865 PolarHBondContact O-N 3.47Å |
| 864 | L | 50.1 | Low | 53.6 | Low | 69 Ų | 69 | 79.7 Ų | 79.7 | 36% | 0.361 | 44% | 0.441 | S | S | . | . | trans | -94.5 | 35.4 | -176.4 | -67.1 | 169.7 | 0 | 0 | 0 | 113.6 | L860 K861 S866 R867 L872 | L860-L864 WeakPolarHBondContact O-CB 3.44Å; L860-L864 WeakPolarHBondContact O-CG 3.45Å; L860-L864 PolarHBondContact O-N 3.06Å; K861-L864 PolarHBondContact O-N 3.47Å; L864-S866 PolarHBondContact O-N 2.87Å; L864-R867 PolarHBondContact O-N 2.84Å; L864-L872 HydrophobicContact CD1-CD1 4.23Å; L864-L872 HydrophobicContact CD1-CD2 4.44Å | ||
| 865 | K | 50.2 | Low | 53.5 | Low | 155 Ų | 155 | 77.3 Ų | 77.3 | 67% | 0.674 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 17.2 | -172.5 | -83.4 | 177.7 | 176.5 | 128.1 | 0 | 117.1 | D862 S863 | D862-K865 WeakPolarHBondContact O-CD 3.43Å; D862-K865 WeakPolarHBondContact O-CE 3.37Å; D862-K865 WeakPolarHBondContact O-CG 3.46Å; D862-K865 PolarHBondContact O-NZ 3.35Å; D862-K865 WeakPolarHBondContact OD1-CE 3.43Å; D862-K865 IonicContact OD1-NZ 2.67Å; D862-K865 PolarHBondContact OD1-NZ 2.76Å; S863-K865 PolarHBondContact O-N 3.47Å |
| 866 | S | 46.3 | Very low | 53.3 | Low | 121 Ų | 121 | 76.3 Ų | 76.3 | 85% | 0.846 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | 15.2 | -176.3 | 65.9 | 0 | 0 | 0 | 0 | 115.3 | L864 | L864-S866 PolarHBondContact O-N 2.87Š|
| 867 | R | 51.2 | Low | 53.6 | Low | 135 Ų | 135 | 78.2 Ų | 78.2 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -139.1 | 160.3 | 176.6 | -152.7 | 164.5 | 174.3 | 138.7 | -1.8 | 111.4 | A739 S743 L864 | A739-R867 PolarHBondContact O-NH1 3.47Å; A739-R867 PolarHBondContact O-NH2 2.83Å; S743-R867 PolarHBondContact OG-NH2 2.97Å; L864-R867 PolarHBondContact O-N 2.84Å |
| 868 | E | 53.2 | Low | 53.7 | Low | 171 Ų | 171 | 80.5 Ų | 80.5 | 80% | 0.799 | 45% | 0.452 | S | S | * | . | trans | -68.9 | 142.3 | -162.2 | -61.5 | -168.1 | 133.7 | 0 | 0 | 114.7 | G870 | E868-G870 VanDerWaalsContact C-N 3.29Å; E868-G870 PolarHBondContact O-N 3.38Å | ||
| 869 | V | 53.1 | Low | 53.4 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.4 | -18.1 | -169.1 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | E873 | V869-E873 HydrophobicContact CG1-CG 4.3Å; V869-E873 PolarHBondContact O-N 2.85Å |
| 870 | G | 57.2 | Low | 53.1 | Low | 57 Ų | 57 | 78.2 Ų | 78.2 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.9 | -50.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E868 L872 E873 S874 | E868-G870 VanDerWaalsContact C-N 3.29Å; E868-G870 PolarHBondContact O-N 3.38Å; G870-L872 VanDerWaalsContact C-N 3.31Å; G870-L872 PolarHBondContact O-N 3.27Å; G870-E873 PolarHBondContact O-N 2.91Å; G870-S874 PolarHBondContact O-N 3.45Å |
| 871 | E | 53.8 | Low | 53.3 | Low | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -35.6 | -179 | -60.3 | -170.6 | 136.9 | 0 | 0 | 111.5 | S743 E873 S874 V875 | S743-E871 PolarHBondContact OG-OE2 2.97Å; E871-E873 PolarHBondContact O-N 3.43Å; E871-S874 PolarHBondContact O-N 3.02Å; E871-S874 PolarHBondContact O-OG 3.15Å; E871-V875 VanDerWaalsContact O-CG2 3.29Å; E871-V875 WeakPolarHBondContact O-CG2 3.35Å; E871-V875 PolarHBondContact O-N 3.15Å; E871-V875 VanDerWaalsContact O-N 3.11Å |
| 872 | L | 50.6 | Low | 53.2 | Low | 34 Ų | 34 | 76.6 Ų | 76.6 | 18% | 0.178 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.3 | -33.1 | -178.3 | -169.4 | 63.8 | 0 | 0 | 0 | 113 | K861 L864 G870 K876 | K861-L872 HydrophobicContact CB-CD2 3.85Å; K861-L872 HydrophobicContact CG-CD2 4.22Å; L864-L872 HydrophobicContact CD1-CD1 4.23Å; L864-L872 HydrophobicContact CD1-CD2 4.44Å; G870-L872 VanDerWaalsContact C-N 3.31Å; G870-L872 PolarHBondContact O-N 3.27Å; L872-K876 VanDerWaalsContact O-CB 3.25Å; L872-K876 WeakPolarHBondContact O-CB 3.23Å; L872-K876 PolarHBondContact O-N 2.99Å |
| 873 | E | 55.4 | Low | 52.8 | Low | 73 Ų | 73 | 73.6 Ų | 73.6 | 34% | 0.341 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.2 | -29.8 | 176.4 | -72.7 | -74.5 | 143 | 0 | 0 | 112.5 | V869 G870 E871 K876 A877 | V869-E873 HydrophobicContact CG1-CG 4.3Å; V869-E873 PolarHBondContact O-N 2.85Å; G870-E873 PolarHBondContact O-N 2.91Å; E871-E873 PolarHBondContact O-N 3.43Å; E873-K876 IonicContact OE1-NZ 3.8Å; E873-K876 PolarHBondContact OE1-NZ 3.18Å; E873-K876 VanDerWaalsContact OE2-CD 3.24Å; E873-K876 WeakPolarHBondContact OE2-CD 3.25Å; E873-K876 WeakPolarHBondContact OE2-CE 3.48Å; E873-K876 IonicContact OE2-NZ 3.71Å; E873-K876 PolarHBondContact OE2-NZ 3.33Å; E873-A877 WeakPolarHBondContact O-CB 3.22Å; E873-A877 PolarHBondContact O-N 3.46Å |
| 874 | S | 57.4 | Low | 52.8 | Low | 75 Ų | 75 | 72.3 Ų | 72.3 | 52% | 0.524 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.7 | -40.5 | 172.9 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | G870 E871 A877 S878 | G870-S874 PolarHBondContact O-N 3.45Å; E871-S874 PolarHBondContact O-N 3.02Å; E871-S874 PolarHBondContact O-OG 3.15Å; S874-A877 PolarHBondContact O-N 3.04Å; S874-S878 PolarHBondContact O-N 3.39Å |
| 875 | V | 53.5 | Low | 53 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 20% | 0.2 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 171.3 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | I751 M754 E871 A877 S878 I879 | I751-V875 HydrophobicContact CD1-CG2 4.06Å; I751-V875 HydrophobicContact CG1-CG1 4.41Å; I751-V875 HydrophobicContact CG1-CG2 4.47Å; M754-V875 HydrophobicContact CE-CG1 4.16Å; E871-V875 VanDerWaalsContact O-CG2 3.29Å; E871-V875 WeakPolarHBondContact O-CG2 3.35Å; E871-V875 PolarHBondContact O-N 3.15Å; E871-V875 VanDerWaalsContact O-N 3.11Å; V875-A877 VanDerWaalsContact C-N 3.32Å; V875-A877 PolarHBondContact O-N 2.88Å; V875-S878 PolarHBondContact O-N 3.19Å; V875-I879 HydrophobicContact CG1-CD1 3.75Å; V875-I879 HydrophobicContact CG1-CG1 4.4Å; V875-I879 WeakPolarHBondContact O-CD1 3.46Å; V875-I879 VanDerWaalsContact O-CG1 3.29Å; V875-I879 WeakPolarHBondContact O-CG1 3.33Å; V875-I879 PolarHBondContact O-N 3.43Å |
| 876 | K | 52.5 | Low | 52.9 | Low | 50 Ų | 50 | 69.6 Ų | 69.6 | 22% | 0.217 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -53.5 | -44.6 | 174 | 170.3 | -161.5 | -171.1 | -176.1 | 0 | 112.6 | V857 L872 E873 S880 | V857-K876 HydrophobicContact CG1-CB 4.16Å; V857-K876 HydrophobicContact CG1-CD 3.96Å; V857-K876 HydrophobicContact CG1-CG 3.99Å; V857-K876 HydrophobicContact CG2-CB 4.28Å; V857-K876 HydrophobicContact CG2-CG 4.16Å; L872-K876 VanDerWaalsContact O-CB 3.25Å; L872-K876 WeakPolarHBondContact O-CB 3.23Å; L872-K876 PolarHBondContact O-N 2.99Å; E873-K876 IonicContact OE1-NZ 3.8Å; E873-K876 PolarHBondContact OE1-NZ 3.18Å; E873-K876 VanDerWaalsContact OE2-CD 3.24Å; E873-K876 WeakPolarHBondContact OE2-CD 3.25Å; E873-K876 WeakPolarHBondContact OE2-CE 3.48Å; E873-K876 IonicContact OE2-NZ 3.71Å; E873-K876 PolarHBondContact OE2-NZ 3.33Å; K876-S880 VanDerWaalsContact O-CB 3.28Å; K876-S880 WeakPolarHBondContact O-CB 3.24Å; K876-S880 PolarHBondContact O-N 3.37Å; K876-S880 PolarHBondContact O-OG 2.72Å |
| 877 | A | 59.6 | Low | 53 | Low | 59 Ų | 59 | 64.3 Ų | 64.3 | 49% | 0.488 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E873 S874 V875 S880 A881 | E873-A877 WeakPolarHBondContact O-CB 3.22Å; E873-A877 PolarHBondContact O-N 3.46Å; S874-A877 PolarHBondContact O-N 3.04Å; V875-A877 VanDerWaalsContact C-N 3.32Å; V875-A877 PolarHBondContact O-N 2.88Å; A877-S880 PolarHBondContact O-N 3.18Å; A877-A881 PolarHBondContact O-N 3.01Å |
| 878 | S | 55.6 | Low | 52.9 | Low | 55 Ų | 55 | 65.7 Ų | 65.7 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -51 | 177.7 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | S874 V875 S880 A881 A882 | S874-S878 PolarHBondContact O-N 3.39Å; V875-S878 PolarHBondContact O-N 3.19Å; S878-S880 VanDerWaalsContact C-N 3.3Å; S878-S880 PolarHBondContact O-N 2.8Å; S878-A881 PolarHBondContact O-N 3.04Å; S878-A882 PolarHBondContact O-N 3.5Å |
| 879 | I | 51.3 | Low | 52.9 | Low | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 175.6 | -54.8 | 154.1 | 0 | 0 | 0 | 110.4 | M754 L853 V875 A881 A882 L883 | M754-I879 HydrophobicContact CE-CD1 3.57Å; M754-I879 HydrophobicContact CE-CG1 3.73Å; M754-I879 HydrophobicContact SD-CD1 3.56Å; M754-I879 VanDerWaalsContact SD-CD1 3.56Å; M754-I879 HydrophobicContact SD-CG1 3.99Å; L853-I879 HydrophobicContact CD1-CG2 3.74Å; L853-I879 HydrophobicContact CD2-CG2 4.22Å; V875-I879 HydrophobicContact CG1-CD1 3.75Å; V875-I879 HydrophobicContact CG1-CG1 4.4Å; V875-I879 WeakPolarHBondContact O-CD1 3.46Å; V875-I879 VanDerWaalsContact O-CG1 3.29Å; V875-I879 WeakPolarHBondContact O-CG1 3.33Å; V875-I879 PolarHBondContact O-N 3.43Å; I879-A881 VanDerWaalsContact C-N 3.3Å; I879-A881 PolarHBondContact O-N 2.99Å; I879-A882 PolarHBondContact O-N 2.97Å; I879-L883 WeakPolarHBondContact O-CB 3.33Å; I879-L883 PolarHBondContact O-N 3.09Å |
| 880 | S | 50.9 | Low | 52.7 | Low | 50 Ų | 50 | 60.2 Ų | 60.2 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | L853 K876 A877 S878 A884 | L853-S880 WeakPolarHBondContact CD2-OG 3.15Å; K876-S880 VanDerWaalsContact O-CB 3.28Å; K876-S880 WeakPolarHBondContact O-CB 3.24Å; K876-S880 PolarHBondContact O-N 3.37Å; K876-S880 PolarHBondContact O-OG 2.72Å; A877-S880 PolarHBondContact O-N 3.18Å; S878-S880 VanDerWaalsContact C-N 3.3Å; S878-S880 PolarHBondContact O-N 2.8Å; S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.12Å; S880-A884 VanDerWaalsContact O-N 3.07Å |
| 881 | A | 56 | Low | 52.1 | Low | 64 Ų | 64 | 58.7 Ų | 58.7 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A877 S878 I879 A884 K885 | A877-A881 PolarHBondContact O-N 3.01Å; S878-A881 PolarHBondContact O-N 3.04Å; I879-A881 VanDerWaalsContact C-N 3.3Å; I879-A881 PolarHBondContact O-N 2.99Å; A881-A884 PolarHBondContact O-N 3.47Å; A881-K885 PolarHBondContact O-N 3.49Å |
| 882 | A | 51.1 | Low | 51.9 | Low | 31 Ų | 31 | 55.8 Ų | 55.8 | 26% | 0.256 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S878 I879 A884 K885 V886 | S878-A882 PolarHBondContact O-N 3.5Å; I879-A882 PolarHBondContact O-N 2.97Å; A882-A884 PolarHBondContact O-N 3.28Å; A882-K885 PolarHBondContact O-N 3.4Å; A882-V886 WeakPolarHBondContact O-CG2 3.35Å; A882-V886 PolarHBondContact O-N 3.28Å |
| 883 | L | 49 | Very low | 51.8 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.9 | -168.7 | 71.7 | 0 | 0 | 0 | 111.3 | L849 L853 I879 K885 V886 V887 | L849-L883 HydrophobicContact CB-CD2 4.38Å; L853-L883 HydrophobicContact CD2-CD2 4.09Å; I879-L883 WeakPolarHBondContact O-CB 3.33Å; I879-L883 PolarHBondContact O-N 3.09Å; L883-K885 VanDerWaalsContact C-N 3.32Å; L883-K885 PolarHBondContact O-N 2.62Å; L883-V886 PolarHBondContact O-N 3.06Å; L883-V887 HydrophobicContact CD1-CG2 4.46Å; L883-V887 HydrophobicContact CG-CG2 4.32Å; L883-V887 VanDerWaalsContact O-CB 3.28Å; L883-V887 WeakPolarHBondContact O-CB 3.39Å; L883-V887 WeakPolarHBondContact O-CG2 3.41Å; L883-V887 PolarHBondContact O-N 3.1Å |
| 884 | A | 49.8 | Very low | 51.3 | Low | 52 Ų | 52 | 56 Ų | 56 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -34.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S880 A881 A882 K888 | S880-A884 WeakPolarHBondContact O-CB 3.44Å; S880-A884 PolarHBondContact O-N 3.12Å; S880-A884 VanDerWaalsContact O-N 3.07Å; A881-A884 PolarHBondContact O-N 3.47Å; A882-A884 PolarHBondContact O-N 3.28Å; A884-K888 VanDerWaalsContact O-CB 3.29Å; A884-K888 WeakPolarHBondContact O-CB 3.27Å; A884-K888 PolarHBondContact O-N 2.88Å; A884-K888 VanDerWaalsContact O-N 3.14Å |
| 885 | K | 55.6 | Low | 50.6 | Low | 128 Ų | 128 | 55.6 Ų | 55.6 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.9 | -57.1 | 174 | -177.6 | -179.7 | 174.6 | -176.1 | 0 | 111 | A881 A882 L883 V887 K888 E889 | A881-K885 PolarHBondContact O-N 3.49Å; A882-K885 PolarHBondContact O-N 3.4Å; L883-K885 VanDerWaalsContact C-N 3.32Å; L883-K885 PolarHBondContact O-N 2.62Å; K885-V887 VanDerWaalsContact C-N 3.31Å; K885-V887 PolarHBondContact O-N 3.48Å; K885-K888 PolarHBondContact O-N 2.99Å; K885-K888 VanDerWaalsContact O-N 3.09Å; K885-E889 VanDerWaalsContact CE-CD 3.48Å; K885-E889 WeakPolarHBondContact CE-OE1 3.49Å; K885-E889 WeakPolarHBondContact CE-OE2 3.32Å; K885-E889 HydrophobicContact CG-CG 4.47Å; K885-E889 WeakPolarHBondContact CG-OE1 3.41Å; K885-E889 IonicContact NZ-OE1 2.63Å; K885-E889 WeakPolarHBondContact O-CG 3.46Å; K885-E889 PolarHBondContact O-N 2.92Å |
| 886 | V | 48.9 | Very low | 50.5 | Low | 39 Ų | 39 | 59.3 Ų | 59.3 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | -177.9 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | F762 M763 A882 L883 E889 Q890 | F762-V886 HydrophobicContact CD1-CG1 4.31Å; F762-V886 HydrophobicContact CE1-CG1 4.48Å; M763-V886 HydrophobicContact CE-CG1 4.38Å; A882-V886 WeakPolarHBondContact O-CG2 3.35Å; A882-V886 PolarHBondContact O-N 3.28Å; L883-V886 PolarHBondContact O-N 3.06Å; V886-E889 PolarHBondContact O-N 3.43Å; V886-Q890 HydrophobicContact CG1-CG 4.23Å; V886-Q890 WeakPolarHBondContact O-CB 3.29Å; V886-Q890 WeakPolarHBondContact O-CG 3.44Å; V886-Q890 PolarHBondContact O-N 3Å |
| 887 | V | 46.6 | Very low | 50.3 | Low | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | F762 L849 L883 K885 I891 | F762-V887 HydrophobicContact CE2-CG2 4Å; F762-V887 HydrophobicContact CZ-CG2 4.07Å; L849-V887 HydrophobicContact CD1-CG1 4.11Å; L849-V887 HydrophobicContact CD1-CG2 3.58Å; L883-V887 HydrophobicContact CD1-CG2 4.46Å; L883-V887 HydrophobicContact CG-CG2 4.32Å; L883-V887 VanDerWaalsContact O-CB 3.28Å; L883-V887 WeakPolarHBondContact O-CB 3.39Å; L883-V887 WeakPolarHBondContact O-CG2 3.41Å; L883-V887 PolarHBondContact O-N 3.1Å; K885-V887 VanDerWaalsContact C-N 3.31Å; K885-V887 PolarHBondContact O-N 3.48Å; V887-I891 HydrophobicContact CG1-CD1 3.68Å; V887-I891 HydrophobicContact CG1-CG1 4.47Å; V887-I891 VanDerWaalsContact O-CB 3.3Å; V887-I891 WeakPolarHBondContact O-CB 3.38Å; V887-I891 WeakPolarHBondContact O-CG1 3.14Å; V887-I891 PolarHBondContact O-N 3.44Å |
| 888 | K | 49.6 | Very low | 49.5 | Very low | 164 Ų | 164 | 60.7 Ų | 60.7 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 177.3 | -173.8 | -171.6 | 176.6 | -166.1 | 0 | 111.6 | A884 K885 A892 | A884-K888 VanDerWaalsContact O-CB 3.29Å; A884-K888 WeakPolarHBondContact O-CB 3.27Å; A884-K888 PolarHBondContact O-N 2.88Å; A884-K888 VanDerWaalsContact O-N 3.14Å; K885-K888 PolarHBondContact O-N 2.99Å; K885-K888 VanDerWaalsContact O-N 3.09Å; K888-A892 VanDerWaalsContact O-CB 3.32Å; K888-A892 WeakPolarHBondContact O-CB 3.39Å; K888-A892 PolarHBondContact O-N 2.97Å |
| 889 | E | 53.1 | Low | 48.9 | Very low | 88 Ų | 88 | 62.1 Ų | 62.1 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.4 | -45.7 | -178.5 | -71.4 | 170.1 | 167.7 | 0 | 0 | 111.9 | K885 V886 A892 N893 | K885-E889 VanDerWaalsContact CE-CD 3.48Å; K885-E889 WeakPolarHBondContact CE-OE1 3.49Å; K885-E889 WeakPolarHBondContact CE-OE2 3.32Å; K885-E889 HydrophobicContact CG-CG 4.47Å; K885-E889 WeakPolarHBondContact CG-OE1 3.41Å; K885-E889 IonicContact NZ-OE1 2.63Å; K885-E889 WeakPolarHBondContact O-CG 3.46Å; K885-E889 PolarHBondContact O-N 2.92Å; V886-E889 PolarHBondContact O-N 3.43Å; E889-A892 PolarHBondContact O-N 3.37Å; E889-N893 VanDerWaalsContact O-CG 3.29Å; E889-N893 PolarHBondContact O-N 2.93Å; E889-N893 PolarHBondContact O-OD1 2.91Å |
| 890 | Q | 48.3 | Very low | 48.7 | Very low | 55 Ų | 55 | 63.1 Ų | 63.1 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72 | -33.8 | -179.6 | -66.6 | -59.4 | -47.9 | 0 | 0 | 113.1 | F762 M763 V886 C894 | F762-Q890 HydrophobicContact CE1-CB 4.02Å; F762-Q890 HydrophobicContact CE1-CG 4.2Å; M763-Q890 HydrophobicContact CE-CG 3.83Å; V886-Q890 HydrophobicContact CG1-CG 4.23Å; V886-Q890 WeakPolarHBondContact O-CB 3.29Å; V886-Q890 WeakPolarHBondContact O-CG 3.44Å; V886-Q890 PolarHBondContact O-N 3Å; Q890-C894 WeakPolarHBondContact O-CB 3.46Å; Q890-C894 PolarHBondContact O-N 3.43Å |
| 891 | I | 46 | Very low | 48.3 | Very low | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 170.6 | -68.1 | 173.8 | 0 | 0 | 0 | 110.1 | I845 V887 M895 | I845-I891 HydrophobicContact CG2-CD1 4.33Å; V887-I891 HydrophobicContact CG1-CD1 3.68Å; V887-I891 HydrophobicContact CG1-CG1 4.47Å; V887-I891 VanDerWaalsContact O-CB 3.3Å; V887-I891 WeakPolarHBondContact O-CB 3.38Å; V887-I891 WeakPolarHBondContact O-CG1 3.14Å; V887-I891 PolarHBondContact O-N 3.44Å; I891-M895 HydrophobicContact CG2-CE 3.95Å; I891-M895 HydrophobicContact CG2-CG 4.21Å; I891-M895 HydrophobicContact CG2-SD 3.95Å; I891-M895 VanDerWaalsContact O-CB 3.32Å; I891-M895 WeakPolarHBondContact O-CB 3.2Å; I891-M895 WeakPolarHBondContact O-CG 3.07Å; I891-M895 PolarHBondContact O-N 3.32Å |
| 892 | A | 50 | Low | 47.4 | Very low | 43 Ų | 43 | 61 Ų | 61 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K888 E889 M895 E896 | K888-A892 VanDerWaalsContact O-CB 3.32Å; K888-A892 WeakPolarHBondContact O-CB 3.39Å; K888-A892 PolarHBondContact O-N 2.97Å; E889-A892 PolarHBondContact O-N 3.37Å; A892-M895 PolarHBondContact O-N 2.9Å; A892-E896 PolarHBondContact O-N 3.11Å |
| 893 | N | 48.7 | Very low | 47.1 | Very low | 89 Ų | 89 | 63 Ų | 63 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | -179.5 | -65.5 | 2.3 | 0 | 0 | 0 | 111.6 | E889 M895 E896 E897 | E889-N893 VanDerWaalsContact O-CG 3.29Å; E889-N893 PolarHBondContact O-N 2.93Å; E889-N893 PolarHBondContact O-OD1 2.91Å; N893-M895 VanDerWaalsContact C-N 3.31Å; N893-M895 PolarHBondContact O-N 3.33Å; N893-E896 PolarHBondContact O-N 2.95Å; N893-E897 PolarHBondContact O-N 3.29Å |
| 894 | C | 44.2 | Very low | 46.8 | Very low | 21 Ų | 21 | 63.8 Ų | 63.8 | 14% | 0.142 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 179.2 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | F770 Q890 N898 | F770-C894 HydrophobicContact CD1-CB 4.46Å; F770-C894 HydrophobicContact CE1-CB 4.21Å; Q890-C894 WeakPolarHBondContact O-CB 3.46Å; Q890-C894 PolarHBondContact O-N 3.43Å; C894-N898 PolarHBondContact O-N 2.99Å; C894-N898 PolarHBondContact O-ND2 3.34Å |
| 895 | M | 42 | Very low | 46.3 | Very low | 68 Ų | 68 | 63.7 Ų | 63.7 | 34% | 0.335 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -48.2 | 171.2 | -76.6 | -173.9 | -47 | 0 | 0 | 111.3 | F838 I891 A892 N893 N898 K899 | F838-M895 HydrophobicContact CB-SD 4.32Å; I891-M895 HydrophobicContact CG2-CE 3.95Å; I891-M895 HydrophobicContact CG2-CG 4.21Å; I891-M895 HydrophobicContact CG2-SD 3.95Å; I891-M895 VanDerWaalsContact O-CB 3.32Å; I891-M895 WeakPolarHBondContact O-CB 3.2Å; I891-M895 WeakPolarHBondContact O-CG 3.07Å; I891-M895 PolarHBondContact O-N 3.32Å; A892-M895 PolarHBondContact O-N 2.9Å; N893-M895 VanDerWaalsContact C-N 3.31Å; N893-M895 PolarHBondContact O-N 3.33Å; M895-N898 PolarHBondContact O-N 3.37Å; M895-K899 WeakPolarHBondContact O-CB 3.02Å; M895-K899 PolarHBondContact O-N 3.01Å |
| 896 | E | 51.2 | Low | 45.5 | Very low | 110 Ų | 110 | 59.5 Ų | 59.5 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | -174.8 | -159.2 | 65.1 | -157.7 | 0 | 0 | 112.3 | A892 N893 K899 A900 | A892-E896 PolarHBondContact O-N 3.11Å; N893-E896 PolarHBondContact O-N 2.95Å; E896-K899 WeakPolarHBondContact OE1-CD 3.21Å; E896-K899 IonicContact OE1-NZ 2.98Å; E896-K899 PolarHBondContact OE1-NZ 2.89Å; E896-K899 WeakPolarHBondContact OE2-CD 3.4Å; E896-K899 IonicContact OE2-NZ 2.66Å; E896-K899 PolarHBondContact OE2-NZ 3.12Å; E896-A900 PolarHBondContact O-N 3.14Å |
| 897 | E | 48.7 | Very low | 45.2 | Very low | 108 Ų | 108 | 62.2 Ų | 62.2 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 173.2 | -75 | -162.8 | -161.2 | 0 | 0 | 112.5 | K435 N893 | K435-E897 IonicContact NZ-OE1 3.66Å; K435-E897 IonicContact NZ-OE2 3.75Å; K435-E897 PolarHBondContact NZ-OE2 2.96Å; N893-E897 PolarHBondContact O-N 3.29Å |
| 898 | N | 43.7 | Very low | 44.9 | Very low | 30 Ų | 30 | 64.2 Ų | 64.2 | 16% | 0.16 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.8 | -31.2 | -178 | -76.9 | -81.5 | 0 | 0 | 0 | 113.1 | V774 F778 C894 M895 A900 G901 L902 | V774-N898 HydrophobicContact CG1-CB 4.14Å; F778-N898 HydrophobicContact CD2-CB 4.19Å; F778-N898 HydrophobicContact CE2-CB 3.62Å; F778-N898 HydrophobicContact CZ-CB 4.35Å; C894-N898 PolarHBondContact O-N 2.99Å; C894-N898 PolarHBondContact O-ND2 3.34Å; M895-N898 PolarHBondContact O-N 3.37Å; N898-A900 VanDerWaalsContact C-N 3.29Å; N898-A900 PolarHBondContact O-N 3.32Å; N898-G901 PolarHBondContact O-N 3.06Å; N898-G901 VanDerWaalsContact O-N 3.1Å; N898-L902 PolarHBondContact O-N 3.43Å; N898-L902 VanDerWaalsContact O-N 3.11Å |
| 899 | K | 42.2 | Very low | 44.2 | Very low | 85 Ų | 85 | 58.4 Ų | 58.4 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | 173.5 | 174.3 | -163.2 | -178.6 | -166.7 | 0 | 111.9 | M895 E896 G901 L902 L903 | M895-K899 WeakPolarHBondContact O-CB 3.02Å; M895-K899 PolarHBondContact O-N 3.01Å; E896-K899 WeakPolarHBondContact OE1-CD 3.21Å; E896-K899 IonicContact OE1-NZ 2.98Å; E896-K899 PolarHBondContact OE1-NZ 2.89Å; E896-K899 WeakPolarHBondContact OE2-CD 3.4Å; E896-K899 IonicContact OE2-NZ 2.66Å; E896-K899 PolarHBondContact OE2-NZ 3.12Å; K899-G901 VanDerWaalsContact C-N 3.33Å; K899-G901 PolarHBondContact O-N 2.93Å; K899-L902 PolarHBondContact O-N 3.35Å; K899-L903 HydrophobicContact CG-CD1 4.09Å; K899-L903 WeakPolarHBondContact O-CB 3.49Å; K899-L903 VanDerWaalsContact O-CG 3.32Å; K899-L903 WeakPolarHBondContact O-CG 3.5Å; K899-L903 PolarHBondContact O-N 2.93Å |
| 900 | A | 46.6 | Very low | 43.3 | Very low | 31 Ų | 31 | 57 Ų | 57 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | T53 E896 N898 L903 E904 | T53-A900 HydrophobicContact CG2-CB 4.3Å; E896-A900 PolarHBondContact O-N 3.14Å; N898-A900 VanDerWaalsContact C-N 3.29Å; N898-A900 PolarHBondContact O-N 3.32Å; A900-L903 PolarHBondContact O-N 3.27Å; A900-E904 PolarHBondContact O-N 3.25Å |
| 901 | G | 44.1 | Very low | 42.7 | Very low | 42 Ų | 42 | 59.6 Ų | 59.6 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N898 K899 E904 V905 | N898-G901 PolarHBondContact O-N 3.06Å; N898-G901 VanDerWaalsContact O-N 3.1Å; K899-G901 VanDerWaalsContact C-N 3.33Å; K899-G901 PolarHBondContact O-N 2.93Å; G901-E904 PolarHBondContact O-N 3.17Å; G901-V905 WeakPolarHBondContact O-CG2 3.39Å; G901-V905 PolarHBondContact O-N 2.87Å; G901-V905 VanDerWaalsContact O-N 3.11Å |
| 902 | L | 37 | Very low | 42 | Very low | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.7 | -172.9 | 75.7 | 0 | 0 | 0 | 112 | F778 F834 N898 K899 E904 V905 I906 | F778-L902 HydrophobicContact CD1-CB 4.35Å; F778-L902 HydrophobicContact CD1-CD1 3.97Å; F778-L902 HydrophobicContact CE1-CB 3.85Å; F778-L902 HydrophobicContact CE1-CD1 3.9Å; F778-L902 HydrophobicContact CE1-CD2 4.06Å; F778-L902 HydrophobicContact CE1-CG 4.12Å; F834-L902 HydrophobicContact CD1-CD2 4.44Å; F834-L902 HydrophobicContact CE1-CD2 4.05Å; F834-L902 HydrophobicContact CZ-CD2 4.25Å; N898-L902 PolarHBondContact O-N 3.43Å; N898-L902 VanDerWaalsContact O-N 3.11Å; K899-L902 PolarHBondContact O-N 3.35Å; L902-E904 VanDerWaalsContact C-N 3.3Å; L902-E904 PolarHBondContact O-N 3.41Å; L902-V905 PolarHBondContact O-N 2.89Å; L902-I906 HydrophobicContact CD1-CD1 4.28Å; L902-I906 HydrophobicContact CD1-CG1 4.48Å; L902-I906 HydrophobicContact CD2-CD1 3.95Å; L902-I906 HydrophobicContact CG-CD1 3.75Å; L902-I906 HydrophobicContact CG-CG1 4.27Å; L902-I906 WeakPolarHBondContact O-CG1 3.4Å; L902-I906 PolarHBondContact O-N 2.73Å |
| 903 | L | 44.4 | Very low | 41.1 | Very low | 71 Ų | 71 | 62.1 Ų | 62.1 | 37% | 0.372 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 177.5 | -80.4 | 168.3 | 0 | 0 | 0 | 111.8 | L831 K899 A900 R907 | L831-L903 HydrophobicContact CD1-CD2 3.87Å; L831-L903 HydrophobicContact CD2-CD2 3.89Å; L831-L903 HydrophobicContact CD2-CG 4.49Å; L831-L903 HydrophobicContact CG-CD2 4.47Å; K899-L903 HydrophobicContact CG-CD1 4.09Å; K899-L903 WeakPolarHBondContact O-CB 3.49Å; K899-L903 VanDerWaalsContact O-CG 3.32Å; K899-L903 WeakPolarHBondContact O-CG 3.5Å; K899-L903 PolarHBondContact O-N 2.93Å; A900-L903 PolarHBondContact O-N 3.27Å; L903-R907 WeakPolarHBondContact O-CB 3.36Å; L903-R907 PolarHBondContact O-N 3.02Å |
| 904 | E | 43 | Very low | 40.2 | Very low | 51 Ų | 51 | 67.9 Ų | 67.9 | 24% | 0.238 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.6 | -34.4 | -179.7 | -158.7 | 65.7 | 173.1 | 0 | 0 | 111.9 | Y54 A900 G901 L902 R907 H908 | Y54-E904 WeakPolarHBondContact CE1-OE1 3.45Å; A900-E904 PolarHBondContact O-N 3.25Å; G901-E904 PolarHBondContact O-N 3.17Å; L902-E904 VanDerWaalsContact C-N 3.3Å; L902-E904 PolarHBondContact O-N 3.41Å; E904-R907 PolarHBondContact O-N 2.91Å; E904-H908 WeakPolarHBondContact O-CB 3.38Å; E904-H908 PolarHBondContact O-CD2 2.81Å; E904-H908 VanDerWaalsContact O-CD2 3.31Å; E904-H908 PolarHBondContact O-N 2.79Å |
| 905 | V | 38.3 | Very low | 39.4 | Very low | 50 Ų | 50 | 72 Ų | 72 | 30% | 0.303 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 172.1 | 170 | 0 | 0 | 0 | 0 | 111.9 | G901 L902 R907 H908 A909 | G901-V905 WeakPolarHBondContact O-CG2 3.39Å; G901-V905 PolarHBondContact O-N 2.87Å; G901-V905 VanDerWaalsContact O-N 3.11Å; L902-V905 PolarHBondContact O-N 2.89Å; V905-R907 VanDerWaalsContact C-N 3.3Å; V905-R907 PolarHBondContact O-N 2.78Å; V905-H908 PolarHBondContact O-N 3.37Å; V905-A909 WeakPolarHBondContact O-CB 3.37Å; V905-A909 PolarHBondContact O-N 2.86Å |
| 906 | I | 39.7 | Very low | 39 | Very low | 40 Ų | 40 | 72.8 Ų | 72.8 | 21% | 0.205 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.1 | -69.2 | 172.5 | 0 | 0 | 0 | 110 | L902 A909 A910 | L902-I906 HydrophobicContact CD1-CD1 4.28Å; L902-I906 HydrophobicContact CD1-CG1 4.48Å; L902-I906 HydrophobicContact CD2-CD1 3.95Å; L902-I906 HydrophobicContact CG-CD1 3.75Å; L902-I906 HydrophobicContact CG-CG1 4.27Å; L902-I906 WeakPolarHBondContact O-CG1 3.4Å; L902-I906 PolarHBondContact O-N 2.73Å; I906-A909 PolarHBondContact O-N 3.43Å; I906-A910 WeakPolarHBondContact O-CB 3.3Å; I906-A910 PolarHBondContact O-N 2.9Å |
| 907 | R | 42.6 | Very low | 37.9 | Very low | 96 Ų | 96 | 70 Ų | 70 | 36% | 0.362 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.7 | -176.8 | 176.3 | -179.6 | 83.6 | 8.4 | 112.4 | L903 E904 V905 A910 L911 | L903-R907 WeakPolarHBondContact O-CB 3.36Å; L903-R907 PolarHBondContact O-N 3.02Å; E904-R907 PolarHBondContact O-N 2.91Å; V905-R907 VanDerWaalsContact C-N 3.3Å; V905-R907 PolarHBondContact O-N 2.78Å; R907-A910 PolarHBondContact O-N 3.13Å; R907-L911 HydrophobicContact CG-CD1 3.77Å; R907-L911 WeakPolarHBondContact O-CB 3.18Å; R907-L911 VanDerWaalsContact O-CG 3.31Å; R907-L911 WeakPolarHBondContact O-CG 3.44Å; R907-L911 PolarHBondContact O-N 3.46Å; R907-L911 VanDerWaalsContact O-N 3.12Å |
| 908 | H | 39.5 | Very low | 37.1 | Very low | 53 Ų | 53 | 68.7 Ų | 68.7 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 175.5 | -93.4 | -76.7 | 0 | 0 | 0 | 112.6 | E904 V905 A910 L911 S912 | E904-H908 WeakPolarHBondContact O-CB 3.38Å; E904-H908 PolarHBondContact O-CD2 2.81Å; E904-H908 VanDerWaalsContact O-CD2 3.31Å; E904-H908 PolarHBondContact O-N 2.79Å; V905-H908 PolarHBondContact O-N 3.37Å; H908-A910 VanDerWaalsContact C-N 3.32Å; H908-A910 PolarHBondContact O-N 3.35Å; H908-L911 PolarHBondContact O-N 3.47Å; H908-S912 PolarHBondContact O-N 3.31Å; H908-S912 PolarHBondContact O-OG 2.99Å |
| 909 | A | 35.1 | Very low | 36.6 | Very low | 42 Ų | 42 | 71 Ų | 71 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.4 | -33.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F785 V905 I906 | F785-A909 HydrophobicContact CE1-CB 3.71Å; F785-A909 HydrophobicContact CZ-CB 4.49Å; V905-A909 WeakPolarHBondContact O-CB 3.37Å; V905-A909 PolarHBondContact O-N 2.86Å; I906-A909 PolarHBondContact O-N 3.43Å |
| 910 | A | 34.2 | Very low | 36.3 | Very low | 59 Ų | 59 | 74.6 Ų | 74.6 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.7 | -35.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I906 R907 H908 | I906-A910 WeakPolarHBondContact O-CB 3.3Å; I906-A910 PolarHBondContact O-N 2.9Å; R907-A910 PolarHBondContact O-N 3.13Å; H908-A910 VanDerWaalsContact C-N 3.32Å; H908-A910 PolarHBondContact O-N 3.35Å |
| 911 | L | 34.8 | Very low | 36.2 | Very low | 109 Ų | 109 | 76.8 Ų | 76.8 | 57% | 0.571 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -101.6 | -7.5 | -168.9 | -66.4 | 174.9 | 0 | 0 | 0 | 115.8 | R907 H908 | R907-L911 HydrophobicContact CG-CD1 3.77Å; R907-L911 WeakPolarHBondContact O-CB 3.18Å; R907-L911 VanDerWaalsContact O-CG 3.31Å; R907-L911 WeakPolarHBondContact O-CG 3.44Å; R907-L911 PolarHBondContact O-N 3.46Å; R907-L911 VanDerWaalsContact O-N 3.12Å; H908-L911 PolarHBondContact O-N 3.47Å |
| 912 | S | 33.1 | Very low | 36.5 | Very low | 53 Ų | 53 | 78.8 Ų | 78.8 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | trans | -136.3 | 117.4 | -172.1 | 65.6 | 0 | 0 | 0 | 0 | 115.8 | H908 R914 | H908-S912 PolarHBondContact O-N 3.31Å; H908-S912 PolarHBondContact O-OG 2.99Å; S912-R914 PolarHBondContact O-N 2.93Å | ||
| 913 | G | 29.5 | Very low | 37.4 | Very low | 67 Ų | 67 | 81.6 Ų | 81.6 | 69% | 0.691 | 45% | 0.454 | S | S | * | . | trans | -79.3 | 19.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K793 | K793-G913 VanDerWaalsContact CE-O 3.24Å; K793-G913 WeakPolarHBondContact CE-O 3.24Å; K793-G913 PolarHBondContact NZ-O 3.5Å | ||
| 914 | R | 30.3 | Very low | 38.4 | Very low | 210 Ų | 210 | 87.7 Ų | 87.7 | 79% | 0.792 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -119.1 | 148.8 | -176.7 | -73 | -171.8 | 175.8 | -167.3 | -1.9 | 110.7 | S912 | S912-R914 PolarHBondContact O-N 2.93Š|
| 915 | P | 27.6 | Very low | 39.6 | Very low | 107 Ų | 107 | 90.4 Ų | 90.4 | 70% | 0.695 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 153.4 | -178.6 | 29.4 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 916 | I | 33 | Very low | 41.4 | Very low | 85 Ų | 85 | 88.9 Ų | 88.9 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 116 | 179.9 | -72.3 | 161.9 | 0 | 0 | 0 | 108.8 | L786 | L786-I916 HydrophobicContact CD2-CD1 4.05Š|
| 917 | E | 28.3 | Very low | 43.4 | Very low | 51 Ų | 51 | 91.7 Ų | 91.7 | 24% | 0.238 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 135.4 | 167.9 | -67.4 | 179.3 | -152.2 | 0 | 0 | 110.4 | V83 R920 | V83-E917 HydrophobicContact CG1-CB 4.21Å; V83-E917 HydrophobicContact CG1-CG 4Å; V83-E917 HydrophobicContact CG2-CB 4.03Å; E917-R920 VanDerWaalsContact CD-NH2 3.29Å; E917-R920 IonicContact OE1-NH2 2.62Å; E917-R920 PolarHBondContact OE1-NH2 2.99Å; E917-R920 VanDerWaalsContact OE1-NH2 3.07Å; E917-R920 IonicContact OE2-CZ 2.72Å; E917-R920 IonicContact OE2-NE 2.82Å; E917-R920 PolarHBondContact OE2-NE 3.44Å; E917-R920 IonicContact OE2-NH2 2.69Å; E917-R920 PolarHBondContact OE2-NH2 2.78Å |
| 918 | T | 31.5 | Very low | 45.3 | Very low | 81 Ų | 81 | 92 Ų | 92 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 162.1 | 171.8 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | R920 | T918-R920 PolarHBondContact O-N 2.99Å; T918-R920 VanDerWaalsContact O-N 3.1Å |
| 919 | P | 32.9 | Very low | 47.4 | Very low | 78 Ų | 78 | 93 Ų | 93 | 51% | 0.506 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 120.5 | -175.7 | 23 | -32 | 0 | 0 | 0 | 110.7 | K82 S921 | K82-P919 HydrophobicContact CD-CB 3.91Å; K82-P919 HydrophobicContact CD-CG 4.42Å; K82-P919 HydrophobicContact CG-CB 4.32Å; P919-S921 PolarHBondContact O-N 3.32Å |
| 920 | R | 37.4 | Very low | 49.8 | Very low | 162 Ų | 162 | 91 Ų | 91 | 61% | 0.611 | 48% | 0.48 | S | S | * | . | trans | -62.8 | 103 | -176.9 | -66 | -175.2 | 179.4 | -169 | 0.3 | 111 | E917 T918 | E917-R920 VanDerWaalsContact CD-NH2 3.29Å; E917-R920 IonicContact OE1-NH2 2.62Å; E917-R920 PolarHBondContact OE1-NH2 2.99Å; E917-R920 VanDerWaalsContact OE1-NH2 3.07Å; E917-R920 IonicContact OE2-CZ 2.72Å; E917-R920 IonicContact OE2-NE 2.82Å; E917-R920 PolarHBondContact OE2-NE 3.44Å; E917-R920 IonicContact OE2-NH2 2.69Å; E917-R920 PolarHBondContact OE2-NH2 2.78Å; T918-R920 PolarHBondContact O-N 2.99Å; T918-R920 VanDerWaalsContact O-N 3.1Å | ||
| 921 | S | 43 | Very low | 52.4 | Low | 76 Ų | 76 | 89.1 Ų | 89.1 | 53% | 0.531 | 46% | 0.464 | S | S | . | . | trans | -59.8 | 157.8 | 162.9 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | P919 | P919-S921 PolarHBondContact O-N 3.32Š| ||
| 922 | D | 51.2 | Low | 54.8 | Low | 84 Ų | 84 | 89.2 Ų | 89.2 | 45% | 0.449 | 46% | 0.46 | S | S | . | . | trans | -51.8 | 124.5 | 173.9 | -175.3 | -40.8 | 0 | 0 | 0 | 110.4 | R924 L925 L926 | D922-R924 PolarHBondContact O-N 3.14Å; D922-R924 VanDerWaalsContact O-N 3.09Å; D922-R924 WeakPolarHBondContact OD1-CB 3.31Å; D922-R924 PolarHBondContact OD1-N 2.68Å; D922-L925 HydrophobicContact CB-CB 4.14Å; D922-L925 HydrophobicContact CB-CD1 3.99Å; D922-L925 HydrophobicContact CB-CG 4.01Å; D922-L925 PolarHBondContact O-N 3.1Å; D922-L925 VanDerWaalsContact O-N 3.1Å; D922-L926 PolarHBondContact O-N 2.83Å | ||
| 923 | P | 56.7 | Low | 57.4 | Low | 89 Ų | 89 | 88.8 Ų | 88.8 | 58% | 0.578 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.6 | -27.2 | -178.9 | -27.9 | 35.8 | 0 | 0 | 0 | 114.6 | R927 | P923-R927 WeakPolarHBondContact O-CG 3.35Å; P923-R927 PolarHBondContact O-N 2.89Å; P923-R927 VanDerWaalsContact O-N 3.13Å |
| 924 | R | 63.6 | Low | 60.2 | Low | 199 Ų | 199 | 86.4 Ų | 86.4 | 75% | 0.751 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -74.3 | -48.5 | 175.7 | -65.3 | -177.3 | 172.2 | -172.5 | -2.1 | 111.3 | D922 L926 R927 E928 | D922-R924 PolarHBondContact O-N 3.14Å; D922-R924 VanDerWaalsContact O-N 3.09Å; D922-R924 WeakPolarHBondContact OD1-CB 3.31Å; D922-R924 PolarHBondContact OD1-N 2.68Å; R924-L926 VanDerWaalsContact C-N 3.26Å; R924-L926 PolarHBondContact O-N 2.7Å; R924-R927 PolarHBondContact O-N 2.82Å; R924-E928 PolarHBondContact O-N 3.44Å |
| 925 | L | 69.2 | Low | 62.9 | Low | 108 Ų | 108 | 83.5 Ų | 83.5 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 175.5 | -64.4 | 178.9 | 0 | 0 | 0 | 111.6 | D922 E928 M929 | D922-L925 HydrophobicContact CB-CB 4.14Å; D922-L925 HydrophobicContact CB-CD1 3.99Å; D922-L925 HydrophobicContact CB-CG 4.01Å; D922-L925 PolarHBondContact O-N 3.1Å; D922-L925 VanDerWaalsContact O-N 3.1Å; L925-E928 PolarHBondContact O-N 3.01Å; L925-M929 VanDerWaalsContact O-CB 3.3Å; L925-M929 WeakPolarHBondContact O-CB 3.43Å; L925-M929 PolarHBondContact O-N 3.14Å |
| 926 | L | 75 | Confident | 65.8 | Low | 18 Ų | 18 | 84 Ų | 84 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.3 | -174.5 | 56.8 | 0 | 0 | 0 | 111.8 | D922 R924 M929 L930 Q945 L954 | D922-L926 PolarHBondContact O-N 2.83Å; R924-L926 VanDerWaalsContact C-N 3.26Å; R924-L926 PolarHBondContact O-N 2.7Å; L926-M929 HydrophobicContact CD1-CE 3.75Å; L926-M929 PolarHBondContact O-N 3.24Å; L926-L930 HydrophobicContact CD1-CD1 4.4Å; L926-L930 HydrophobicContact CD1-CG 4.45Å; L926-L930 HydrophobicContact CG-CD1 4.22Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 VanDerWaalsContact O-CG 3.27Å; L926-L930 WeakPolarHBondContact O-CG 3.49Å; L926-L930 PolarHBondContact O-N 3.49Å; L926-Q945 HydrophobicContact CD1-CG 4.22Å; L926-L954 HydrophobicContact CD2-CD1 3.69Å; L926-L954 HydrophobicContact CG-CD1 4.41Å; L926-L954 HydrophobicContact CG-CD2 4.38Å |
| 927 | R | 82.6 | Confident | 68.4 | Low | 99 Ų | 99 | 85.8 Ų | 85.8 | 37% | 0.374 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 172.8 | -77.2 | -174.6 | 174.8 | 179.5 | -4.2 | 112.5 | P923 R924 M929 L930 A931 L954 Y957 | P923-R927 WeakPolarHBondContact O-CG 3.35Å; P923-R927 PolarHBondContact O-N 2.89Å; P923-R927 VanDerWaalsContact O-N 3.13Å; R924-R927 PolarHBondContact O-N 2.82Å; R927-M929 VanDerWaalsContact C-N 3.33Å; R927-M929 PolarHBondContact O-N 3.35Å; R927-L930 PolarHBondContact O-N 3.01Å; R927-A931 WeakPolarHBondContact O-CB 3.5Å; R927-A931 PolarHBondContact O-N 3.29Å; R927-L954 HydrophobicContact CG-CD2 3.55Å; R927-Y957 HydrophobicContact CB-CD1 4.38Å; R927-Y957 HydrophobicContact CB-CE1 3.83Å; R927-Y957 HydrophobicContact CG-CD1 3.91Å; R927-Y957 HydrophobicContact CG-CE1 3.88Å |
| 928 | E | 81.8 | Confident | 71.2 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.2 | -75.1 | -173.3 | -150.1 | 0 | 0 | 112.9 | R924 L925 K932 | R924-E928 PolarHBondContact O-N 3.44Å; L925-E928 PolarHBondContact O-N 3.01Å; E928-K932 WeakPolarHBondContact O-CB 3.15Å; E928-K932 WeakPolarHBondContact O-CG 3.12Å; E928-K932 PolarHBondContact O-N 2.8Å; E928-K932 IonicContact OE2-NZ 2.65Å |
| 929 | M | 84 | Confident | 73.9 | Confident | 74 Ų | 74 | 84.7 Ų | 84.7 | 37% | 0.365 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 176.4 | -171.4 | -173.4 | 80.5 | 0 | 0 | 111.4 | L925 L926 R927 K932 M933 Q945 | L925-M929 VanDerWaalsContact O-CB 3.3Å; L925-M929 WeakPolarHBondContact O-CB 3.43Å; L925-M929 PolarHBondContact O-N 3.14Å; L926-M929 HydrophobicContact CD1-CE 3.75Å; L926-M929 PolarHBondContact O-N 3.24Å; R927-M929 VanDerWaalsContact C-N 3.33Å; R927-M929 PolarHBondContact O-N 3.35Å; M929-K932 PolarHBondContact O-N 3.49Å; M929-M933 HydrophobicContact CE-CE 3.78Å; M929-M933 HydrophobicContact CE-SD 4.18Å; M929-M933 HydrophobicContact CG-CE 4.02Å; M929-M933 HydrophobicContact CG-SD 4.44Å; M929-M933 WeakPolarHBondContact O-CG 3.3Å; M929-M933 PolarHBondContact O-N 3.17Å; M929-M933 HydrophobicContact SD-CE 4.08Å; M929-Q945 HydrophobicContact CE-CG 3.78Å |
| 930 | L | 86.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.7 | -72.3 | 168.9 | 0 | 0 | 0 | 111.9 | L926 R927 K932 M933 V934 A942 Q945 A946 L954 V958 | L926-L930 HydrophobicContact CD1-CD1 4.4Å; L926-L930 HydrophobicContact CD1-CG 4.45Å; L926-L930 HydrophobicContact CG-CD1 4.22Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 VanDerWaalsContact O-CG 3.27Å; L926-L930 WeakPolarHBondContact O-CG 3.49Å; L926-L930 PolarHBondContact O-N 3.49Å; R927-L930 PolarHBondContact O-N 3.01Å; L930-K932 PolarHBondContact O-N 3.29Å; L930-M933 HydrophobicContact CD2-SD 4.41Å; L930-M933 PolarHBondContact O-N 3.34Å; L930-V934 WeakPolarHBondContact O-CG2 3.44Å; L930-V934 PolarHBondContact O-N 3.11Å; L930-A942 HydrophobicContact CD2-CB 4.28Å; L930-A942 VanDerWaalsContact CD2-O 3.32Å; L930-A942 WeakPolarHBondContact CD2-O 3.29Å; L930-Q945 HydrophobicContact CD2-CB 3.99Å; L930-Q945 HydrophobicContact CD2-CG 4.14Å; L930-A946 HydrophobicContact CD1-CB 4.32Å; L930-A946 HydrophobicContact CD2-CB 4.5Å; L930-L954 HydrophobicContact CD1-CD2 3.75Å; L930-V958 HydrophobicContact CB-CG2 4.22Å; L930-V958 HydrophobicContact CD1-CG2 4.04Å; L930-V958 HydrophobicContact CD2-CG2 4.27Å; L930-V958 HydrophobicContact CG-CG2 4.41Å |
| 931 | A | 87.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R927 M933 V934 E935 L961 | R927-A931 WeakPolarHBondContact O-CB 3.5Å; R927-A931 PolarHBondContact O-N 3.29Å; A931-M933 VanDerWaalsContact C-N 3.34Å; A931-M933 PolarHBondContact O-N 2.75Å; A931-V934 PolarHBondContact O-N 2.69Å; A931-V934 VanDerWaalsContact O-N 3.17Å; A931-E935 WeakPolarHBondContact O-CG 3.22Å; A931-E935 PolarHBondContact O-N 3.31Å; A931-L961 HydrophobicContact CB-CD1 4.18Å |
| 932 | K | 85.6 | Confident | 80.8 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 48% | 0.478 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 175.8 | -74.4 | 165.1 | -176.5 | 154.9 | 0 | 113.2 | E928 M929 L930 N936 | E928-K932 WeakPolarHBondContact O-CB 3.15Å; E928-K932 WeakPolarHBondContact O-CG 3.12Å; E928-K932 PolarHBondContact O-N 2.8Å; E928-K932 IonicContact OE2-NZ 2.65Å; M929-K932 PolarHBondContact O-N 3.49Å; L930-K932 PolarHBondContact O-N 3.29Å; K932-N936 PolarHBondContact O-N 2.91Å; K932-N936 VanDerWaalsContact O-N 3.14Å; K932-N936 PolarHBondContact O-ND2 3.06Å |
| 933 | M | 86.3 | Confident | 82.7 | Confident | 45 Ų | 45 | 73.6 Ų | 73.6 | 22% | 0.222 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 172.9 | -73.5 | 171.9 | 170.1 | 0 | 0 | 111.2 | M929 L930 A931 N936 E937 M938 A942 | M929-M933 HydrophobicContact CE-CE 3.78Å; M929-M933 HydrophobicContact CE-SD 4.18Å; M929-M933 HydrophobicContact CG-CE 4.02Å; M929-M933 HydrophobicContact CG-SD 4.44Å; M929-M933 WeakPolarHBondContact O-CG 3.3Å; M929-M933 PolarHBondContact O-N 3.17Å; M929-M933 HydrophobicContact SD-CE 4.08Å; L930-M933 HydrophobicContact CD2-SD 4.41Å; L930-M933 PolarHBondContact O-N 3.34Å; A931-M933 VanDerWaalsContact C-N 3.34Å; A931-M933 PolarHBondContact O-N 2.75Å; M933-N936 CarbonylContact O-C 2.9Å; M933-N936 PolarHBondContact O-N 3.48Å; M933-E937 PolarHBondContact O-N 2.92Å; M933-M938 HydrophobicContact CB-CB 4.29Å; M933-M938 WeakPolarHBondContact O-CB 3.48Å; M933-M938 PolarHBondContact O-N 3.06Å; M933-A942 HydrophobicContact CB-CB 3.98Å |
| 934 | V | 89.1 | Confident | 84 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | L930 A931 N936 E937 Y939 A942 V958 L961 V962 | L930-V934 WeakPolarHBondContact O-CG2 3.44Å; L930-V934 PolarHBondContact O-N 3.11Å; A931-V934 PolarHBondContact O-N 2.69Å; A931-V934 VanDerWaalsContact O-N 3.17Å; V934-N936 PolarHBondContact O-N 2.98Å; V934-E937 PolarHBondContact O-N 3.21Å; V934-E937 VanDerWaalsContact O-N 3.08Å; V934-Y939 HydrophobicContact CG1-CE1 4.18Å; V934-A942 HydrophobicContact CG2-CB 3.9Å; V934-V958 HydrophobicContact CG2-CG1 4.42Å; V934-L961 HydrophobicContact CG1-CB 3.96Å; V934-V962 HydrophobicContact CB-CG2 4.44Å; V934-V962 HydrophobicContact CG1-CG2 3.75Å; V934-V962 HydrophobicContact CG2-CG2 3.75Å |
| 935 | E | 87.9 | Confident | 85 | Confident | 148 Ų | 148 | 64.1 Ų | 64.1 | 69% | 0.692 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.5 | -31.7 | 173.5 | -74.3 | 173.7 | 166.1 | 0 | 0 | 112.9 | A931 E937 | A931-E935 WeakPolarHBondContact O-CG 3.22Å; A931-E935 PolarHBondContact O-N 3.31Å; E935-E937 VanDerWaalsContact C-N 3.32Å |
| 936 | N | 88.4 | Confident | 85.8 | Confident | 119 Ų | 119 | 59 Ų | 59 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 16.2 | 176.2 | -71.2 | -84.4 | 0 | 0 | 0 | 113.1 | K932 M933 V934 M938 | K932-N936 PolarHBondContact O-N 2.91Å; K932-N936 VanDerWaalsContact O-N 3.14Å; K932-N936 PolarHBondContact O-ND2 3.06Å; M933-N936 CarbonylContact O-C 2.9Å; M933-N936 PolarHBondContact O-N 3.48Å; V934-N936 PolarHBondContact O-N 2.98Å; N936-M938 HydrophobicContact CB-CG 4.37Å; N936-M938 PolarHBondContact O-N 3.04Å; N936-M938 VanDerWaalsContact O-N 3.11Å |
| 937 | E | 86.4 | Confident | 86.3 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 19.1 | -178.5 | -52.9 | -153.6 | 111.2 | 0 | 0 | 115.5 | M933 V934 E935 Y939 K966 | M933-E937 PolarHBondContact O-N 2.92Å; V934-E937 PolarHBondContact O-N 3.21Å; V934-E937 VanDerWaalsContact O-N 3.08Å; E935-E937 VanDerWaalsContact C-N 3.32Å; E937-Y939 HydrophobicContact CB-CD2 4.48Å; E937-Y939 HydrophobicContact CB-CE2 3.74Å; E937-Y939 HydrophobicContact CG-CE2 4.25Å; E937-Y939 WeakPolarHBondContact CG-OH 3.36Å; E937-Y939 VanDerWaalsContact O-CD2 3.29Å; E937-Y939 WeakPolarHBondContact O-CD2 3.44Å; E937-Y939 PolarHBondContact O-N 3.35Å; E937-Y939 PolarHBondContact OE1-OH 3.24Å; E937-K966 IonicContact OE1-NZ 3.7Å; E937-K966 PolarHBondContact OE1-NZ 3.41Å |
| 938 | M | 87.7 | Confident | 86.1 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | trans | -79.9 | 59.4 | 176.7 | -62.1 | -173.3 | 66.7 | 0 | 0 | 111.5 | M933 N936 I940 E941 A942 | M933-M938 HydrophobicContact CB-CB 4.29Å; M933-M938 WeakPolarHBondContact O-CB 3.48Å; M933-M938 PolarHBondContact O-N 3.06Å; N936-M938 HydrophobicContact CB-CG 4.37Å; N936-M938 PolarHBondContact O-N 3.04Å; N936-M938 VanDerWaalsContact O-N 3.11Å; M938-I940 PolarHBondContact O-N 2.93Å; M938-E941 HydrophobicContact CB-CB 4.44Å; M938-E941 HydrophobicContact CE-CB 4.24Å; M938-E941 HydrophobicContact CE-CG 3.81Å; M938-A942 WeakPolarHBondContact O-CB 3.2Å; M938-A942 PolarHBondContact O-N 3.36Å | ||
| 939 | Y | 88.8 | Confident | 86 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 11% | 0.114 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -39.6 | -171.7 | -56.7 | -56.6 | 0 | 0 | 0 | 113 | V934 E937 A942 F943 V962 K966 L974 | V934-Y939 HydrophobicContact CG1-CE1 4.18Å; E937-Y939 HydrophobicContact CB-CD2 4.48Å; E937-Y939 HydrophobicContact CB-CE2 3.74Å; E937-Y939 HydrophobicContact CG-CE2 4.25Å; E937-Y939 WeakPolarHBondContact CG-OH 3.36Å; E937-Y939 VanDerWaalsContact O-CD2 3.29Å; E937-Y939 WeakPolarHBondContact O-CD2 3.44Å; E937-Y939 PolarHBondContact O-N 3.35Å; E937-Y939 PolarHBondContact OE1-OH 3.24Å; Y939-A942 PolarHBondContact O-N 3.25Å; Y939-F943 WeakPolarHBondContact O-CB 3.5Å; Y939-F943 WeakPolarHBondContact O-CD2 3.16Å; Y939-F943 PolarHBondContact O-N 3.1Å; Y939-V962 HydrophobicContact CD1-CG1 3.87Å; Y939-V962 HydrophobicContact CD1-CG2 3.85Å; Y939-V962 HydrophobicContact CE1-CG1 4.06Å; Y939-V962 HydrophobicContact CE1-CG2 4.14Å; Y939-K966 HydrophobicContact CE1-CD 4.48Å; Y939-K966 HydrophobicContact CE2-CB 4.5Å; Y939-K966 HydrophobicContact CE2-CD 3.84Å; Y939-K966 WeakPolarHBondContact OH-CD 3.38Å; Y939-K966 PolarHBondContact OH-NZ 3.43Å; Y939-L974 HydrophobicContact CD2-CD1 4.39Å |
| 940 | I | 85.8 | Confident | 85.6 | Confident | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -44.2 | -176.5 | -59.7 | 177.4 | 0 | 0 | 0 | 109.9 | M938 A944 L974 | M938-I940 PolarHBondContact O-N 2.93Å; I940-A944 WeakPolarHBondContact O-CB 3.42Å; I940-A944 PolarHBondContact O-N 3.35Å; I940-L974 HydrophobicContact CD1-CB 4.33Å; I940-L974 HydrophobicContact CG1-CB 4.07Å |
| 941 | E | 84.7 | Confident | 85.3 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.6 | -62 | 85.3 | 167.2 | 0 | 0 | 111.6 | M938 A944 Q945 | M938-E941 HydrophobicContact CB-CB 4.44Å; M938-E941 HydrophobicContact CE-CB 4.24Å; M938-E941 HydrophobicContact CE-CG 3.81Å; E941-A944 PolarHBondContact O-N 2.84Å; E941-Q945 WeakPolarHBondContact O-CB 3.22Å; E941-Q945 PolarHBondContact O-N 3.35Å |
| 942 | A | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L930 M933 V934 M938 Y939 Q945 A946 V958 | L930-A942 HydrophobicContact CD2-CB 4.28Å; L930-A942 VanDerWaalsContact CD2-O 3.32Å; L930-A942 WeakPolarHBondContact CD2-O 3.29Å; M933-A942 HydrophobicContact CB-CB 3.98Å; V934-A942 HydrophobicContact CG2-CB 3.9Å; M938-A942 WeakPolarHBondContact O-CB 3.2Å; M938-A942 PolarHBondContact O-N 3.36Å; Y939-A942 PolarHBondContact O-N 3.25Å; A942-Q945 PolarHBondContact O-N 2.92Å; A942-A946 WeakPolarHBondContact O-CB 3.45Å; A942-A946 PolarHBondContact O-N 3.31Å; A942-V958 HydrophobicContact CB-CG1 4.39Å |
| 943 | F | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 175.4 | -88.9 | -77.5 | 0 | 0 | 0 | 111.8 | Y939 Q945 A946 I947 V958 V962 V967 L975 L983 Y1002 | Y939-F943 WeakPolarHBondContact O-CB 3.5Å; Y939-F943 WeakPolarHBondContact O-CD2 3.16Å; Y939-F943 PolarHBondContact O-N 3.1Å; F943-Q945 VanDerWaalsContact C-N 3.35Å; F943-Q945 PolarHBondContact O-N 2.78Å; F943-A946 PolarHBondContact O-N 3.29Å; F943-I947 HydrophobicContact CB-CD1 4.39Å; F943-I947 VanDerWaalsContact O-CB 3.3Å; F943-I947 WeakPolarHBondContact O-CB 3.3Å; F943-I947 WeakPolarHBondContact O-CD1 3.25Å; F943-I947 WeakPolarHBondContact O-CG1 3.41Å; F943-I947 PolarHBondContact O-N 2.91Å; F943-V958 HydrophobicContact CD1-CG1 4.19Å; F943-V958 HydrophobicContact CD2-CG1 3.98Å; F943-V958 HydrophobicContact CE1-CG1 4.03Å; F943-V958 HydrophobicContact CE2-CG1 3.79Å; F943-V958 HydrophobicContact CG-CG1 4.16Å; F943-V958 HydrophobicContact CZ-CG1 3.82Å; F943-V962 HydrophobicContact CE2-CB 4.27Å; F943-V962 HydrophobicContact CE2-CG1 4.37Å; F943-V962 HydrophobicContact CE2-CG2 4.16Å; F943-V967 HydrophobicContact CD2-CG2 4.42Å; F943-V967 HydrophobicContact CE2-CG1 4.34Å; F943-V967 HydrophobicContact CE2-CG2 3.68Å; F943-V967 HydrophobicContact CZ-CG2 4.28Å; F943-L975 HydrophobicContact CB-CD1 4.46Å; F943-L975 HydrophobicContact CB-CD2 3.69Å; F943-L975 HydrophobicContact CD1-CD1 4.29Å; F943-L975 HydrophobicContact CG-CD1 4.27Å; F943-L975 HydrophobicContact CG-CD2 4.17Å; F943-L983 HydrophobicContact CD1-CD1 4.38Å; F943-L983 HydrophobicContact CE1-CD1 4.14Å; F943-L983 HydrophobicContact CE1-CD2 4.28Å; F943-Y1002 HydrophobicContact CE1-CE1 4.36Å; F943-Y1002 AromaticContact CZ-CE1 3.81Å; F943-Y1002 HydrophobicContact CZ-CE1 3.81Å |
| 944 | A | 85.4 | Confident | 85 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I940 E941 I947 N948 | I940-A944 WeakPolarHBondContact O-CB 3.42Å; I940-A944 PolarHBondContact O-N 3.35Å; E941-A944 PolarHBondContact O-N 2.84Å; A944-I947 PolarHBondContact O-N 3.45Å; A944-N948 WeakPolarHBondContact O-CB 3.09Å; A944-N948 PolarHBondContact O-N 3.23Å; A944-N948 PolarHBondContact O-ND2 2.93Å; A944-N948 VanDerWaalsContact O-ND2 3.11Å |
| 945 | Q | 83.9 | Confident | 85.1 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | -179.7 | -175.2 | 63.7 | 23.8 | 0 | 0 | 112.4 | L926 M929 L930 E941 A942 F943 S949 | L926-Q945 HydrophobicContact CD1-CG 4.22Å; M929-Q945 HydrophobicContact CE-CG 3.78Å; L930-Q945 HydrophobicContact CD2-CB 3.99Å; L930-Q945 HydrophobicContact CD2-CG 4.14Å; E941-Q945 WeakPolarHBondContact O-CB 3.22Å; E941-Q945 PolarHBondContact O-N 3.35Å; A942-Q945 PolarHBondContact O-N 2.92Å; F943-Q945 VanDerWaalsContact C-N 3.35Å; F943-Q945 PolarHBondContact O-N 2.78Å; Q945-S949 PolarHBondContact O-N 3.48Å |
| 946 | A | 86.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -45 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L930 A942 F943 S949 V955 V958 | L930-A946 HydrophobicContact CD1-CB 4.32Å; L930-A946 HydrophobicContact CD2-CB 4.5Å; A942-A946 WeakPolarHBondContact O-CB 3.45Å; A942-A946 PolarHBondContact O-N 3.31Å; F943-A946 PolarHBondContact O-N 3.29Å; A946-S949 WeakPolarHBondContact O-CB 3.39Å; A946-S949 PolarHBondContact O-N 3.09Å; A946-S949 VanDerWaalsContact O-N 3.13Å; A946-S949 PolarHBondContact O-OG 3.36Å; A946-V955 HydrophobicContact CB-CG2 4.1Å; A946-V958 HydrophobicContact CB-CB 4.45Å; A946-V958 HydrophobicContact CB-CG2 3.84Å |
| 947 | I | 84.7 | Confident | 85.2 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 177.8 | -67.7 | 162 | 0 | 0 | 0 | 111 | F943 A944 S949 G950 Q979 Q982 M986 | F943-I947 HydrophobicContact CB-CD1 4.39Å; F943-I947 VanDerWaalsContact O-CB 3.3Å; F943-I947 WeakPolarHBondContact O-CB 3.3Å; F943-I947 WeakPolarHBondContact O-CD1 3.25Å; F943-I947 WeakPolarHBondContact O-CG1 3.41Å; F943-I947 PolarHBondContact O-N 2.91Å; A944-I947 PolarHBondContact O-N 3.45Å; I947-S949 PolarHBondContact O-N 3.19Å; I947-S949 VanDerWaalsContact O-N 3.11Å; I947-G950 PolarHBondContact O-N 3.4Å; I947-G950 VanDerWaalsContact O-N 3.1Å; I947-Q979 HydrophobicContact CD1-CB 3.96Å; I947-Q979 HydrophobicContact CD1-CG 4.2Å; I947-Q982 HydrophobicContact CG2-CB 3.78Å; I947-M986 HydrophobicContact CB-CE 3.96Å; I947-M986 HydrophobicContact CG1-CE 3.72Å; I947-M986 HydrophobicContact CG2-CE 3.77Å |
| 948 | N | 79.8 | Confident | 85.4 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -10.5 | 177.1 | -70.8 | -27.1 | 0 | 0 | 0 | 114 | A944 | A944-N948 WeakPolarHBondContact O-CB 3.09Å; A944-N948 PolarHBondContact O-N 3.23Å; A944-N948 PolarHBondContact O-ND2 2.93Å; A944-N948 VanDerWaalsContact O-ND2 3.11Å |
| 949 | S | 78.8 | Confident | 85.6 | Confident | 25 Ų | 25 | 33.9 Ų | 33.9 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.7 | 173.5 | 80.3 | 0 | 0 | 0 | 0 | 113.7 | Q945 A946 I947 D951 | Q945-S949 PolarHBondContact O-N 3.48Å; A946-S949 WeakPolarHBondContact O-CB 3.39Å; A946-S949 PolarHBondContact O-N 3.09Å; A946-S949 VanDerWaalsContact O-N 3.13Å; A946-S949 PolarHBondContact O-OG 3.36Å; I947-S949 PolarHBondContact O-N 3.19Å; I947-S949 VanDerWaalsContact O-N 3.11Å; S949-D951 PolarHBondContact O-N 3.03Å; S949-D951 PolarHBondContact OG-N 2.91Å |
| 950 | G | 75.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 36 Ų | 36 | 56% | 0.557 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | -0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I947 | I947-G950 PolarHBondContact O-N 3.4Å; I947-G950 VanDerWaalsContact O-N 3.1Å |
| 951 | D | 80.1 | Confident | 85.9 | Confident | 60 Ų | 60 | 35.9 Ų | 35.9 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | trans | -95 | 111.1 | -177.5 | 176.6 | 14.4 | 0 | 0 | 0 | 112.2 | S949 L953 L954 V955 | S949-D951 PolarHBondContact O-N 3.03Å; S949-D951 PolarHBondContact OG-N 2.91Å; D951-L953 PolarHBondContact O-N 3.47Å; D951-L953 WeakPolarHBondContact OD1-CB 3.32Å; D951-L953 PolarHBondContact OD1-N 2.96Å; D951-L954 HydrophobicContact CB-CB 4.07Å; D951-L954 HydrophobicContact CB-CD1 3.98Å; D951-L954 HydrophobicContact CB-CG 4.36Å; D951-L954 PolarHBondContact O-N 3.41Å; D951-L954 WeakPolarHBondContact OD2-CD1 3.14Å; D951-L954 WeakPolarHBondContact OD2-CG 3.31Å; D951-V955 WeakPolarHBondContact O-CG2 3.29Å; D951-V955 PolarHBondContact O-N 3.1Å | ||
| 952 | S | 84.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 32 Ų | 32 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.8 | -31.2 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | T956 M986 | S952-T956 VanDerWaalsContact O-CB 3.3Å; S952-T956 WeakPolarHBondContact O-CB 3.25Å; S952-T956 PolarHBondContact O-N 3.34Å; S952-T956 PolarHBondContact O-OG1 3.41Å; S952-M986 WeakPolarHBondContact CB-O 3.49Å; S952-M986 PolarHBondContact OG-O 2.99Å |
| 953 | L | 84.5 | Confident | 86.2 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 45% | 0.45 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76.4 | -30.1 | 178.1 | -60 | 173.9 | 0 | 0 | 0 | 112.4 | D951 Y957 | D951-L953 PolarHBondContact O-N 3.47Å; D951-L953 WeakPolarHBondContact OD1-CB 3.32Å; D951-L953 PolarHBondContact OD1-N 2.96Å; L953-Y957 VanDerWaalsContact O-CB 3.28Å; L953-Y957 WeakPolarHBondContact O-CB 3.25Å; L953-Y957 PolarHBondContact O-N 3.34Å; L953-Y957 VanDerWaalsContact O-N 3.09Å |
| 954 | L | 85 | Confident | 86.2 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.3 | -39.3 | 171.2 | -88.6 | 163.1 | 0 | 0 | 0 | 111.3 | L926 R927 L930 D951 Y957 V958 | L926-L954 HydrophobicContact CD2-CD1 3.69Å; L926-L954 HydrophobicContact CG-CD1 4.41Å; L926-L954 HydrophobicContact CG-CD2 4.38Å; R927-L954 HydrophobicContact CG-CD2 3.55Å; L930-L954 HydrophobicContact CD1-CD2 3.75Å; D951-L954 HydrophobicContact CB-CB 4.07Å; D951-L954 HydrophobicContact CB-CD1 3.98Å; D951-L954 HydrophobicContact CB-CG 4.36Å; D951-L954 PolarHBondContact O-N 3.41Å; D951-L954 WeakPolarHBondContact OD2-CD1 3.14Å; D951-L954 WeakPolarHBondContact OD2-CG 3.31Å; L954-Y957 WeakPolarHBondContact O-CB 3.43Å; L954-Y957 PolarHBondContact O-N 3.38Å; L954-V958 PolarHBondContact O-N 3.35Å |
| 955 | V | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 174.2 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A946 D951 Y957 V958 C959 L983 M986 L987 | A946-V955 HydrophobicContact CB-CG2 4.1Å; D951-V955 WeakPolarHBondContact O-CG2 3.29Å; D951-V955 PolarHBondContact O-N 3.1Å; V955-Y957 VanDerWaalsContact C-N 3.26Å; V955-Y957 PolarHBondContact O-N 3.15Å; V955-V958 PolarHBondContact O-N 3.15Å; V955-V958 VanDerWaalsContact O-N 3.16Å; V955-C959 PolarHBondContact O-N 3.1Å; V955-C959 PolarHBondContact O-SG 3.27Å; V955-L983 HydrophobicContact CG1-CD1 3.4Å; V955-M986 HydrophobicContact CG1-CE 4.45Å; V955-M986 HydrophobicContact CG2-CE 3.76Å; V955-M986 HydrophobicContact CG2-SD 3.92Å; V955-L987 HydrophobicContact CG1-CD2 4.34Å |
| 956 | T | 90.1 | Very high | 86.2 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -34 | 176.3 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | S952 C959 S960 E995 L998 K999 | S952-T956 VanDerWaalsContact O-CB 3.3Å; S952-T956 WeakPolarHBondContact O-CB 3.25Å; S952-T956 PolarHBondContact O-N 3.34Å; S952-T956 PolarHBondContact O-OG1 3.41Å; T956-C959 WeakPolarHBondContact O-CB 3.31Å; T956-C959 PolarHBondContact O-N 2.91Å; T956-S960 PolarHBondContact O-N 3.08Å; T956-E995 HydrophobicContact CG2-CB 4.37Å; T956-E995 HydrophobicContact CG2-CG 4.4Å; T956-E995 WeakPolarHBondContact CG2-OE1 2.96Å; T956-L998 HydrophobicContact CG2-CD2 4.47Å; T956-K999 HydrophobicContact CG2-CG 4.49Å; T956-K999 VanDerWaalsContact OG1-CE 3.24Å; T956-K999 WeakPolarHBondContact OG1-CE 3.46Å |
| 957 | Y | 89.1 | Confident | 86.2 | Confident | 66 Ų | 66 | 41.3 Ų | 41.3 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 172.4 | 177.1 | -110.1 | 0 | 0 | 0 | 112.9 | R927 L953 L954 V955 C959 S960 L961 | R927-Y957 HydrophobicContact CB-CD1 4.38Å; R927-Y957 HydrophobicContact CB-CE1 3.83Å; R927-Y957 HydrophobicContact CG-CD1 3.91Å; R927-Y957 HydrophobicContact CG-CE1 3.88Å; L953-Y957 VanDerWaalsContact O-CB 3.28Å; L953-Y957 WeakPolarHBondContact O-CB 3.25Å; L953-Y957 PolarHBondContact O-N 3.34Å; L953-Y957 VanDerWaalsContact O-N 3.09Å; L954-Y957 WeakPolarHBondContact O-CB 3.43Å; L954-Y957 PolarHBondContact O-N 3.38Å; V955-Y957 VanDerWaalsContact C-N 3.26Å; V955-Y957 PolarHBondContact O-N 3.15Å; Y957-C959 VanDerWaalsContact C-N 3.32Å; Y957-C959 PolarHBondContact O-N 3.48Å; Y957-S960 PolarHBondContact O-N 3.41Å; Y957-S960 VanDerWaalsContact O-N 3.14Å; Y957-S960 PolarHBondContact O-OG 2.89Å; Y957-L961 HydrophobicContact CD1-CD1 4.38Å; Y957-L961 HydrophobicContact CE1-CD1 3.82Å; Y957-L961 HydrophobicContact CE2-CD1 4.36Å; Y957-L961 HydrophobicContact CE2-CD2 4.47Å; Y957-L961 HydrophobicContact CE2-CG 4.46Å; Y957-L961 WeakPolarHBondContact O-CG 3.31Å; Y957-L961 PolarHBondContact O-N 3.38Å |
| 958 | V | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | L930 V934 A942 F943 A946 L954 V955 S960 L961 V962 | L930-V958 HydrophobicContact CB-CG2 4.22Å; L930-V958 HydrophobicContact CD1-CG2 4.04Å; L930-V958 HydrophobicContact CD2-CG2 4.27Å; L930-V958 HydrophobicContact CG-CG2 4.41Å; V934-V958 HydrophobicContact CG2-CG1 4.42Å; A942-V958 HydrophobicContact CB-CG1 4.39Å; F943-V958 HydrophobicContact CD1-CG1 4.19Å; F943-V958 HydrophobicContact CD2-CG1 3.98Å; F943-V958 HydrophobicContact CE1-CG1 4.03Å; F943-V958 HydrophobicContact CE2-CG1 3.79Å; F943-V958 HydrophobicContact CG-CG1 4.16Å; F943-V958 HydrophobicContact CZ-CG1 3.82Å; A946-V958 HydrophobicContact CB-CB 4.45Å; A946-V958 HydrophobicContact CB-CG2 3.84Å; L954-V958 PolarHBondContact O-N 3.35Å; V955-V958 PolarHBondContact O-N 3.15Å; V955-V958 VanDerWaalsContact O-N 3.16Å; V958-S960 PolarHBondContact O-N 2.84Å; V958-L961 PolarHBondContact O-N 3.08Å; V958-V962 HydrophobicContact CG1-CG2 4.33Å; V958-V962 PolarHBondContact O-N 2.94Å |
| 959 | C | 92 | Very high | 86.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -26.6 | 171.5 | -73.7 | 0 | 0 | 0 | 0 | 113.9 | V955 T956 Y957 L998 Y1002 | V955-C959 PolarHBondContact O-N 3.1Å; V955-C959 PolarHBondContact O-SG 3.27Å; T956-C959 WeakPolarHBondContact O-CB 3.31Å; T956-C959 PolarHBondContact O-N 2.91Å; Y957-C959 VanDerWaalsContact C-N 3.32Å; Y957-C959 PolarHBondContact O-N 3.48Å; C959-L998 HydrophobicContact CB-CD2 4.23Å; C959-L998 HydrophobicContact CB-CG 4.39Å; C959-Y1002 HydrophobicContact CB-CD2 3.64Å; C959-Y1002 HydrophobicContact CB-CE2 3.53Å; C959-Y1002 HydrophobicContact CB-CG 4.26Å; C959-Y1002 VanDerWaalsContact O-CE2 3.25Å; C959-Y1002 WeakPolarHBondContact O-CE2 3.31Å |
| 960 | S | 91.2 | Very high | 85.7 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -86.1 | -16.3 | 178.4 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | T956 Y957 V958 | T956-S960 PolarHBondContact O-N 3.08Å; Y957-S960 PolarHBondContact O-N 3.41Å; Y957-S960 VanDerWaalsContact O-N 3.14Å; Y957-S960 PolarHBondContact O-OG 2.89Å; V958-S960 PolarHBondContact O-N 2.84Å |
| 961 | L | 90.3 | Very high | 85.1 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -90.7 | -24.6 | 175.6 | -62.1 | 178.6 | 0 | 0 | 0 | 113.8 | A931 V934 Y957 V958 | A931-L961 HydrophobicContact CB-CD1 4.18Å; V934-L961 HydrophobicContact CG1-CB 3.96Å; Y957-L961 HydrophobicContact CD1-CD1 4.38Å; Y957-L961 HydrophobicContact CE1-CD1 3.82Å; Y957-L961 HydrophobicContact CE2-CD1 4.36Å; Y957-L961 HydrophobicContact CE2-CD2 4.47Å; Y957-L961 HydrophobicContact CE2-CG 4.46Å; Y957-L961 WeakPolarHBondContact O-CG 3.31Å; Y957-L961 PolarHBondContact O-N 3.38Å; V958-L961 PolarHBondContact O-N 3.08Å |
| 962 | V | 90.8 | Very high | 84.4 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -107.8 | 142.6 | -175.8 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | V934 Y939 F943 V958 K966 V967 Y1002 | V934-V962 HydrophobicContact CB-CG2 4.44Å; V934-V962 HydrophobicContact CG1-CG2 3.75Å; V934-V962 HydrophobicContact CG2-CG2 3.75Å; Y939-V962 HydrophobicContact CD1-CG1 3.87Å; Y939-V962 HydrophobicContact CD1-CG2 3.85Å; Y939-V962 HydrophobicContact CE1-CG1 4.06Å; Y939-V962 HydrophobicContact CE1-CG2 4.14Å; F943-V962 HydrophobicContact CE2-CB 4.27Å; F943-V962 HydrophobicContact CE2-CG1 4.37Å; F943-V962 HydrophobicContact CE2-CG2 4.16Å; V958-V962 HydrophobicContact CG1-CG2 4.33Å; V958-V962 PolarHBondContact O-N 2.94Å; V962-K966 HydrophobicContact CG1-CB 4.33Å; V962-V967 HydrophobicContact CG1-CG2 3.55Å; V962-Y1002 PolarHBondContact O-OH 2.72Å |
| 963 | E | 87.7 | Confident | 84.1 | Confident | 130 Ų | 130 | 54.6 Ų | 54.6 | 61% | 0.607 | 30% | 0.3 | S | S | * | . | trans | -81.7 | 130 | 169.3 | 180 | 163.6 | -146.4 | 0 | 0 | 110.8 | G965 K966 | E963-G965 PolarHBondContact O-N 3.45Å; E963-K966 WeakPolarHBondContact O-CB 3.45Å; E963-K966 PolarHBondContact O-N 3.49Å | ||
| 964 | V | 90.3 | Very high | 83.9 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -44.8 | -43.4 | 179.7 | 176.9 | 0 | 0 | 0 | 0 | 113.3 | K966 V967 F968 K1001 Y1002 A1005 | V964-K966 PolarHBondContact O-N 3.41Å; V964-V967 PolarHBondContact O-N 3.21Å; V964-F968 HydrophobicContact CG1-CD2 4.27Å; V964-F968 PolarHBondContact O-N 3.24Å; V964-K1001 HydrophobicContact CB-CD 4.46Å; V964-K1001 HydrophobicContact CG2-CD 3.75Å; V964-K1001 HydrophobicContact CG2-CG 3.94Å; V964-Y1002 HydrophobicContact CG2-CD1 4.19Å; V964-Y1002 HydrophobicContact CG2-CD2 3.54Å; V964-Y1002 HydrophobicContact CG2-CE1 4.04Å; V964-Y1002 HydrophobicContact CG2-CE2 3.33Å; V964-Y1002 HydrophobicContact CG2-CG 3.96Å; V964-A1005 HydrophobicContact CG1-CB 3.56Å |
| 965 | G | 84.8 | Confident | 83.9 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 46% | 0.464 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.4 | -16 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E963 V967 | E963-G965 PolarHBondContact O-N 3.45Å; G965-V967 VanDerWaalsContact C-N 3.35Å |
| 966 | K | 84.3 | Confident | 83.6 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.5 | -18.4 | 168.9 | -70.3 | -160.2 | 175.1 | -165.1 | 0 | 113 | E937 Y939 V962 E963 V964 L974 | E937-K966 IonicContact OE1-NZ 3.7Å; E937-K966 PolarHBondContact OE1-NZ 3.41Å; Y939-K966 HydrophobicContact CE1-CD 4.48Å; Y939-K966 HydrophobicContact CE2-CB 4.5Å; Y939-K966 HydrophobicContact CE2-CD 3.84Å; Y939-K966 WeakPolarHBondContact OH-CD 3.38Å; Y939-K966 PolarHBondContact OH-NZ 3.43Å; V962-K966 HydrophobicContact CG1-CB 4.33Å; E963-K966 WeakPolarHBondContact O-CB 3.45Å; E963-K966 PolarHBondContact O-N 3.49Å; V964-K966 PolarHBondContact O-N 3.41Å; K966-L974 WeakPolarHBondContact O-CD1 3.46Å |
| 967 | V | 85.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -104 | -38.1 | -176.7 | -171.2 | 0 | 0 | 0 | 0 | 111.2 | F943 V962 V964 G965 L974 L975 Y1002 | F943-V967 HydrophobicContact CD2-CG2 4.42Å; F943-V967 HydrophobicContact CE2-CG1 4.34Å; F943-V967 HydrophobicContact CE2-CG2 3.68Å; F943-V967 HydrophobicContact CZ-CG2 4.28Å; V962-V967 HydrophobicContact CG1-CG2 3.55Å; V964-V967 PolarHBondContact O-N 3.21Å; G965-V967 VanDerWaalsContact C-N 3.35Å; V967-L974 PolarHBondContact O-N 2.82Å; V967-L975 HydrophobicContact CG1-CD1 3.79Å; V967-L975 HydrophobicContact CG1-CD2 4.48Å; V967-L975 HydrophobicContact CG1-CG 3.72Å; V967-Y1002 HydrophobicContact CG2-CE1 4.47Å |
| 968 | F | 85.2 | Confident | 82.7 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -127 | 92.2 | -179.9 | -57.7 | -81.3 | 0 | 0 | 0 | 108.8 | V964 T973 L975 L983 Y1002 A1005 A1006 A1009 | V964-F968 HydrophobicContact CG1-CD2 4.27Å; V964-F968 PolarHBondContact O-N 3.24Å; F968-T973 HydrophobicContact CD1-CG2 4.09Å; F968-L975 HydrophobicContact CZ-CD1 3.97Å; F968-L983 HydrophobicContact CE2-CD2 4.2Å; F968-L983 HydrophobicContact CZ-CD2 4.05Å; F968-Y1002 HydrophobicContact CE2-CD1 4.1Å; F968-Y1002 HydrophobicContact CE2-CE1 4.29Å; F968-A1005 HydrophobicContact CB-CB 4.02Å; F968-A1005 HydrophobicContact CD2-CB 3.82Å; F968-A1005 HydrophobicContact CE2-CB 4.47Å; F968-A1005 HydrophobicContact CG-CB 3.94Å; F968-A1006 HydrophobicContact CE1-CB 4.11Å; F968-A1006 HydrophobicContact CE2-CB 4.36Å; F968-A1006 HydrophobicContact CZ-CB 3.7Å; F968-A1009 HydrophobicContact CD1-CB 3.81Å; F968-A1009 HydrophobicContact CE1-CB 3.93Å |
| 969 | D | 78.8 | Confident | 82.5 | Confident | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | trans | -99.2 | 151 | 167.9 | 174.3 | 48.6 | 0 | 0 | 0 | 110.8 | N971 H972 | D969-N971 PolarHBondContact O-N 3.33Å; D969-N971 PolarHBondContact OD2-N 3.11Å; D969-N971 PolarHBondContact OD2-ND2 3.28Å; D969-H972 PolarHBondContact N-O 3.34Å; D969-H972 PolarHBondContact O-N 3.45Å; D969-H972 VanDerWaalsContact O-N 3.16Å | ||
| 970 | S | 68.3 | Low | 82.3 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -36.6 | -24.1 | 169.7 | -20.9 | 0 | 0 | 0 | 0 | 117 | ||
| 971 | N | 62.8 | Low | 81.9 | Confident | 119 Ų | 119 | 55.3 Ų | 55.3 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -111.1 | -37.4 | -176.1 | -55.2 | -82.1 | 0 | 0 | 0 | 112.7 | D969 | D969-N971 PolarHBondContact O-N 3.33Å; D969-N971 PolarHBondContact OD2-N 3.11Å; D969-N971 PolarHBondContact OD2-ND2 3.28Å |
| 972 | H | 65.9 | Low | 81.6 | Confident | 156 Ų | 156 | 55.7 Ų | 55.7 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | trans | -150.9 | 133.9 | -172.4 | -61.1 | -50.6 | 0 | 0 | 0 | 111.7 | D969 | D969-H972 PolarHBondContact N-O 3.34Å; D969-H972 PolarHBondContact O-N 3.45Å; D969-H972 VanDerWaalsContact O-N 3.16Å | ||
| 973 | T | 78.3 | Confident | 81.6 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -98.8 | 126 | 175.6 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | F968 L975 A1009 | F968-T973 HydrophobicContact CD1-CG2 4.09Å; T973-L975 VanDerWaalsContact C-N 3.33Å; T973-L975 PolarHBondContact O-N 3.47Å; T973-A1009 HydrophobicContact CG2-CB 3.69Å |
| 974 | L | 81.1 | Confident | 81.7 | Confident | 71 Ų | 71 | 49 Ų | 49 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.9 | -22.9 | -177.7 | -66.4 | -169.2 | 0 | 0 | 0 | 113.7 | Y939 I940 K966 V967 | Y939-L974 HydrophobicContact CD2-CD1 4.39Å; I940-L974 HydrophobicContact CD1-CB 4.33Å; I940-L974 HydrophobicContact CG1-CB 4.07Å; K966-L974 WeakPolarHBondContact O-CD1 3.46Å; V967-L974 PolarHBondContact O-N 2.82Å |
| 975 | L | 84.2 | Confident | 81.6 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -93.1 | 142.6 | 178.2 | -59.1 | -176.7 | 0 | 0 | 0 | 111 | F943 V967 F968 T973 Q979 L983 | F943-L975 HydrophobicContact CB-CD1 4.46Å; F943-L975 HydrophobicContact CB-CD2 3.69Å; F943-L975 HydrophobicContact CD1-CD1 4.29Å; F943-L975 HydrophobicContact CG-CD1 4.27Å; F943-L975 HydrophobicContact CG-CD2 4.17Å; V967-L975 HydrophobicContact CG1-CD1 3.79Å; V967-L975 HydrophobicContact CG1-CD2 4.48Å; V967-L975 HydrophobicContact CG1-CG 3.72Å; F968-L975 HydrophobicContact CZ-CD1 3.97Å; T973-L975 VanDerWaalsContact C-N 3.33Å; T973-L975 PolarHBondContact O-N 3.47Å; L975-Q979 HydrophobicContact CB-CB 4.1Å; L975-L983 HydrophobicContact CD1-CD2 3.73Å |
| 976 | S | 83.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | trans | -66.3 | 163.1 | 170.9 | 65.1 | 0 | 0 | 0 | 0 | 112 | S978 Q979 S980 | S976-S978 PolarHBondContact O-N 3.24Å; S976-Q979 PolarHBondContact O-N 2.76Å; S976-Q979 WeakPolarHBondContact OG-CG 3.36Å; S976-Q979 PolarHBondContact OG-N 3.46Å; S976-Q979 PolarHBondContact OG-OE1 3.34Å; S976-S980 WeakPolarHBondContact O-CB 3.39Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.69Å | ||
| 977 | V | 81.7 | Confident | 82.1 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 21% | 0.212 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.1 | -42.8 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | S980 L981 L1010 N1018 | V977-S980 PolarHBondContact O-N 3.35Å; V977-L981 HydrophobicContact CG1-CD1 4.39Å; V977-L981 WeakPolarHBondContact O-CG 2.99Å; V977-L981 PolarHBondContact O-N 2.87Å; V977-L1010 HydrophobicContact CG1-CD2 3.71Å; V977-N1018 HydrophobicContact CG1-CB 4.03Å |
| 978 | S | 80.4 | Confident | 82.2 | Confident | 32 Ų | 32 | 46.1 Ų | 46.1 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 179.9 | -161.9 | 0 | 0 | 0 | 0 | 112.6 | Y794 S976 S980 Q982 | Y794-S978 WeakPolarHBondContact OH-CB 3.25Å; Y794-S978 PolarHBondContact OH-OG 3.4Å; S976-S978 PolarHBondContact O-N 3.24Å; S978-S980 VanDerWaalsContact C-N 3.31Å; S978-S980 PolarHBondContact O-N 3.01Å; S978-Q982 VanDerWaalsContact O-CG 3.25Å; S978-Q982 WeakPolarHBondContact O-CG 3.33Å; S978-Q982 PolarHBondContact O-N 3.34Å; S978-Q982 VanDerWaalsContact O-N 3.1Å; S978-Q982 PolarHBondContact O-NE2 2.68Å; S978-Q982 PolarHBondContact OG-NE2 2.85Å; S978-Q982 VanDerWaalsContact OG-NE2 3.12Å |
| 979 | Q | 85.8 | Confident | 82.2 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 174 | -73.6 | 162 | -56.6 | 0 | 0 | 111.9 | I947 L975 S976 Q982 L983 | I947-Q979 HydrophobicContact CD1-CB 3.96Å; I947-Q979 HydrophobicContact CD1-CG 4.2Å; L975-Q979 HydrophobicContact CB-CB 4.1Å; S976-Q979 PolarHBondContact O-N 2.76Å; S976-Q979 WeakPolarHBondContact OG-CG 3.36Å; S976-Q979 PolarHBondContact OG-N 3.46Å; S976-Q979 PolarHBondContact OG-OE1 3.34Å; Q979-Q982 PolarHBondContact O-N 3.42Å; Q979-L983 VanDerWaalsContact O-CB 3.23Å; Q979-L983 WeakPolarHBondContact O-CB 3.36Å; Q979-L983 PolarHBondContact O-N 2.91Å |
| 980 | S | 87.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S976 V977 S978 L983 V984 | S976-S980 WeakPolarHBondContact O-CB 3.39Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.69Å; V977-S980 PolarHBondContact O-N 3.35Å; S978-S980 VanDerWaalsContact C-N 3.31Å; S978-S980 PolarHBondContact O-N 3.01Å; S980-L983 PolarHBondContact O-N 2.9Å; S980-V984 VanDerWaalsContact O-CG2 3.31Å; S980-V984 WeakPolarHBondContact O-CG2 3.2Å; S980-V984 PolarHBondContact O-N 3.04Å |
| 981 | L | 83.3 | Confident | 83.2 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 170.1 | -72.1 | 166 | 0 | 0 | 0 | 111.3 | V977 L983 V984 H985 L1010 L1021 A1022 E1025 | V977-L981 HydrophobicContact CG1-CD1 4.39Å; V977-L981 WeakPolarHBondContact O-CG 2.99Å; V977-L981 PolarHBondContact O-N 2.87Å; L981-L983 PolarHBondContact O-N 3.48Å; L981-V984 PolarHBondContact O-N 3.35Å; L981-H985 WeakPolarHBondContact O-CB 3.36Å; L981-H985 PolarHBondContact O-N 3.3Å; L981-L1010 HydrophobicContact CD2-CD1 3.76Å; L981-L1010 HydrophobicContact CD2-CD2 4.04Å; L981-L1010 HydrophobicContact CG-CD1 4.17Å; L981-L1010 HydrophobicContact CG-CD2 3.84Å; L981-L1021 HydrophobicContact CD1-CB 4Å; L981-A1022 HydrophobicContact CD2-CB 4.42Å; L981-E1025 HydrophobicContact CD2-CB 3.76Å; L981-E1025 HydrophobicContact CD2-CG 4.06Å |
| 982 | Q | 84.4 | Confident | 84.2 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 38% | 0.379 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.3 | -38.1 | -178.2 | -67.6 | 169.7 | 40.6 | 0 | 0 | 112.3 | I947 S978 Q979 H985 M986 | I947-Q982 HydrophobicContact CG2-CB 3.78Å; S978-Q982 VanDerWaalsContact O-CG 3.25Å; S978-Q982 WeakPolarHBondContact O-CG 3.33Å; S978-Q982 PolarHBondContact O-N 3.34Å; S978-Q982 VanDerWaalsContact O-N 3.1Å; S978-Q982 PolarHBondContact O-NE2 2.68Å; S978-Q982 PolarHBondContact OG-NE2 2.85Å; S978-Q982 VanDerWaalsContact OG-NE2 3.12Å; Q979-Q982 PolarHBondContact O-N 3.42Å; Q982-H985 PolarHBondContact O-N 3.36Å; Q982-M986 HydrophobicContact CB-CE 4.3Å; Q982-M986 WeakPolarHBondContact O-CE 3.39Å; Q982-M986 WeakPolarHBondContact O-CG 3.43Å; Q982-M986 PolarHBondContact O-N 3.5Å; Q982-M986 VanDerWaalsContact O-N 3.07Å |
| 983 | L | 90.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.9 | 179 | 61.1 | 0 | 0 | 0 | 111.3 | F943 V955 F968 L975 Q979 S980 L981 H985 M986 L987 Y1002 | F943-L983 HydrophobicContact CD1-CD1 4.38Å; F943-L983 HydrophobicContact CE1-CD1 4.14Å; F943-L983 HydrophobicContact CE1-CD2 4.28Å; V955-L983 HydrophobicContact CG1-CD1 3.4Å; F968-L983 HydrophobicContact CE2-CD2 4.2Å; F968-L983 HydrophobicContact CZ-CD2 4.05Å; L975-L983 HydrophobicContact CD1-CD2 3.73Å; Q979-L983 VanDerWaalsContact O-CB 3.23Å; Q979-L983 WeakPolarHBondContact O-CB 3.36Å; Q979-L983 PolarHBondContact O-N 2.91Å; S980-L983 PolarHBondContact O-N 2.9Å; L981-L983 PolarHBondContact O-N 3.48Å; L983-H985 VanDerWaalsContact C-N 3.33Å; L983-H985 PolarHBondContact O-N 3.48Å; L983-M986 PolarHBondContact O-N 3.34Å; L983-L987 HydrophobicContact CD1-CD1 3.75Å; L983-L987 HydrophobicContact CD1-CG 4.12Å; L983-L987 HydrophobicContact CG-CD1 3.88Å; L983-L987 WeakPolarHBondContact O-CG 3.38Å; L983-L987 PolarHBondContact O-N 2.97Å; L983-L987 VanDerWaalsContact O-N 3.11Å; L983-Y1002 HydrophobicContact CD2-CD1 4.26Å |
| 984 | V | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | S980 L981 M986 L987 A988 A1006 L1007 L1010 E1025 V1029 | S980-V984 VanDerWaalsContact O-CG2 3.31Å; S980-V984 WeakPolarHBondContact O-CG2 3.2Å; S980-V984 PolarHBondContact O-N 3.04Å; L981-V984 PolarHBondContact O-N 3.35Å; V984-M986 PolarHBondContact O-N 3.47Å; V984-L987 PolarHBondContact O-N 3.07Å; V984-A988 VanDerWaalsContact O-CB 3.3Å; V984-A988 WeakPolarHBondContact O-CB 3.32Å; V984-A988 PolarHBondContact O-N 3.39Å; V984-A1006 HydrophobicContact CG2-CB 3.47Å; V984-A1006 VanDerWaalsContact CG2-CB 3.47Å; V984-L1007 HydrophobicContact CG1-CD2 4.25Å; V984-L1007 HydrophobicContact CG1-CG 4.34Å; V984-L1007 HydrophobicContact CG2-CG 4.17Å; V984-L1010 HydrophobicContact CG2-CD1 4.32Å; V984-E1025 HydrophobicContact CB-CG 4.44Å; V984-E1025 HydrophobicContact CG1-CG 4.04Å; V984-V1029 HydrophobicContact CG1-CG2 3.27Å |
| 985 | H | 88.8 | Confident | 85.3 | Confident | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.338 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.3 | -49.2 | -179.3 | -163.9 | 76.5 | 0 | 0 | 0 | 112.9 | L981 Q982 L983 A988 S989 E1025 Y1028 | L981-H985 WeakPolarHBondContact O-CB 3.36Å; L981-H985 PolarHBondContact O-N 3.3Å; Q982-H985 PolarHBondContact O-N 3.36Å; L983-H985 VanDerWaalsContact C-N 3.33Å; L983-H985 PolarHBondContact O-N 3.48Å; H985-A988 PolarHBondContact O-N 2.98Å; H985-S989 WeakPolarHBondContact O-CB 3.46Å; H985-S989 PolarHBondContact O-N 3.45Å; H985-S989 PolarHBondContact O-OG 3.2Å; H985-E1025 VanDerWaalsContact CA-OE1 3.25Å; H985-E1025 WeakPolarHBondContact CA-OE1 3.22Å; H985-E1025 VanDerWaalsContact CB-OE1 3.31Å; H985-E1025 WeakPolarHBondContact CB-OE1 3.41Å; H985-E1025 IonicContact CE1-OE1 2.7Å; H985-E1025 IonicContact CG-OE1 2.68Å; H985-E1025 IonicContact CG-OE2 2.82Å; H985-E1025 VanDerWaalsContact ND1-CD 3.33Å; H985-E1025 IonicContact ND1-OE1 2.68Å; H985-E1025 PolarHBondContact ND1-OE1 3.38Å; H985-E1025 IonicContact ND1-OE2 2.7Å; H985-E1025 PolarHBondContact ND1-OE2 2.99Å; H985-E1025 VanDerWaalsContact ND1-OE2 3.11Å; H985-Y1028 AromaticContact CE1-CD1 3.75Å; H985-Y1028 AromaticContact CE1-CE1 3.51Å; H985-Y1028 AromaticContact CE1-CZ 3.88Å; H985-Y1028 AromaticContact ND1-CD1 3.52Å; H985-Y1028 AromaticContact ND1-CE1 3.51Å |
| 986 | M | 88.1 | Confident | 85.5 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.6 | -23.6 | -176.9 | -65.6 | 178.8 | -71.5 | 0 | 0 | 113.9 | I947 S952 V955 Q982 L983 V984 S989 | I947-M986 HydrophobicContact CB-CE 3.96Å; I947-M986 HydrophobicContact CG1-CE 3.72Å; I947-M986 HydrophobicContact CG2-CE 3.77Å; S952-M986 WeakPolarHBondContact CB-O 3.49Å; S952-M986 PolarHBondContact OG-O 2.99Å; V955-M986 HydrophobicContact CG1-CE 4.45Å; V955-M986 HydrophobicContact CG2-CE 3.76Å; V955-M986 HydrophobicContact CG2-SD 3.92Å; Q982-M986 HydrophobicContact CB-CE 4.3Å; Q982-M986 WeakPolarHBondContact O-CE 3.39Å; Q982-M986 WeakPolarHBondContact O-CG 3.43Å; Q982-M986 PolarHBondContact O-N 3.5Å; Q982-M986 VanDerWaalsContact O-N 3.07Å; L983-M986 PolarHBondContact O-N 3.34Å; V984-M986 PolarHBondContact O-N 3.47Å; M986-S989 PolarHBondContact O-OG 2.68Å |
| 987 | L | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.4 | -34.9 | 171.9 | -64.9 | 170.4 | 0 | 0 | 0 | 111.1 | V955 L983 V984 L991 K999 M1003 | V955-L987 HydrophobicContact CG1-CD2 4.34Å; L983-L987 HydrophobicContact CD1-CD1 3.75Å; L983-L987 HydrophobicContact CD1-CG 4.12Å; L983-L987 HydrophobicContact CG-CD1 3.88Å; L983-L987 WeakPolarHBondContact O-CG 3.38Å; L983-L987 PolarHBondContact O-N 2.97Å; L983-L987 VanDerWaalsContact O-N 3.11Å; V984-L987 PolarHBondContact O-N 3.07Å; L987-L991 WeakPolarHBondContact O-CD2 3.05Å; L987-K999 HydrophobicContact CD2-CG 4Å; L987-M1003 HydrophobicContact CB-CG 3.76Å; L987-M1003 HydrophobicContact CB-SD 3.97Å; L987-M1003 HydrophobicContact CD1-CG 4.14Å |
| 988 | A | 88.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.6 | -28.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | V984 H985 S990 M1003 Y1028 V1029 M1032 | V984-A988 VanDerWaalsContact O-CB 3.3Å; V984-A988 WeakPolarHBondContact O-CB 3.32Å; V984-A988 PolarHBondContact O-N 3.39Å; H985-A988 PolarHBondContact O-N 2.98Å; A988-S990 VanDerWaalsContact C-N 3.31Å; A988-S990 PolarHBondContact O-N 3.47Å; A988-M1003 HydrophobicContact CB-CE 3.86Å; A988-M1003 HydrophobicContact CB-SD 4.46Å; A988-Y1028 HydrophobicContact CB-CD1 4.32Å; A988-Y1028 HydrophobicContact CB-CE1 3.98Å; A988-V1029 HydrophobicContact CB-CG2 4.09Å; A988-M1032 HydrophobicContact CB-CB 4.47Å |
| 989 | S | 86.2 | Confident | 86.9 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -74.9 | -14.2 | -176.3 | 68.2 | 0 | 0 | 0 | 0 | 115 | H985 M986 Y1028 | H985-S989 WeakPolarHBondContact O-CB 3.46Å; H985-S989 PolarHBondContact O-N 3.45Å; H985-S989 PolarHBondContact O-OG 3.2Å; M986-S989 PolarHBondContact O-OG 2.68Å; S989-Y1028 WeakPolarHBondContact CA-OH 3.14Å; S989-Y1028 WeakPolarHBondContact CB-OH 3.19Å |
| 990 | S | 81.5 | Confident | 87.2 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | trans | -142.8 | 95.6 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | A988 K999 | A988-S990 VanDerWaalsContact C-N 3.31Å; A988-S990 PolarHBondContact O-N 3.47Å; S990-K999 WeakPolarHBondContact O-CD 3.18Å; S990-K999 WeakPolarHBondContact O-CE 3.47Å; S990-K999 PolarHBondContact O-NZ 2.97Å | ||
| 991 | L | 86.5 | Confident | 87.5 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | trans | -106.3 | 113.3 | -177.2 | -61.7 | 172.4 | 0 | 0 | 0 | 110.2 | L987 I996 M1003 M1032 L1033 Y1036 | L987-L991 WeakPolarHBondContact O-CD2 3.05Å; L991-I996 HydrophobicContact CB-CD1 4.19Å; L991-I996 HydrophobicContact CD2-CD1 3.82Å; L991-I996 HydrophobicContact CG-CD1 4.48Å; L991-M1003 HydrophobicContact CD2-SD 4.47Å; L991-M1032 HydrophobicContact CD1-CB 4.37Å; L991-L1033 HydrophobicContact CD1-CD2 3.99Å; L991-Y1036 HydrophobicContact CB-CD2 3.48Å; L991-Y1036 VanDerWaalsContact CB-CD2 3.48Å; L991-Y1036 HydrophobicContact CB-CE2 4Å; L991-Y1036 HydrophobicContact CB-CG 4.07Å; L991-Y1036 HydrophobicContact CD1-CD2 4.43Å; L991-Y1036 HydrophobicContact CD1-CG 4.2Å | ||
| 992 | S | 84.1 | Confident | 87.9 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | trans | -123.5 | 140.5 | -173.9 | 40.9 | 0 | 0 | 0 | 0 | 109.9 | D994 E995 I996 K999 | S992-D994 VanDerWaalsContact C-N 3.31Å; S992-D994 PolarHBondContact O-N 2.73Å; S992-E995 PolarHBondContact O-N 3.17Å; S992-E995 VanDerWaalsContact O-N 3.15Å; S992-E995 WeakPolarHBondContact OG-CB 3.48Å; S992-E995 PolarHBondContact OG-OE2 3.39Å; S992-I996 WeakPolarHBondContact O-CB 3.45Å; S992-I996 PolarHBondContact O-N 3.5Å; S992-K999 PolarHBondContact OG-NZ 2.78Å; S992-K999 VanDerWaalsContact OG-NZ 3.1Å | ||
| 993 | E | 79.8 | Confident | 88.3 | Confident | 134 Ų | 134 | 43.6 Ų | 43.6 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.8 | -172.7 | -168.8 | 169.5 | -158.4 | 0 | 0 | 113 | E995 I996 | E993-E995 VanDerWaalsContact C-N 3.34Å; E993-E995 PolarHBondContact O-N 3.5Å; E993-I996 VanDerWaalsContact O-CG2 3.32Å; E993-I996 WeakPolarHBondContact O-CG2 3.17Å |
| 994 | D | 81.8 | Confident | 88.4 | Confident | 164 Ų | 164 | 46.4 Ų | 46.4 | 88% | 0.877 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -28.7 | 178.1 | -58.7 | -60.1 | 0 | 0 | 0 | 114 | S992 | S992-D994 VanDerWaalsContact C-N 3.31Å; S992-D994 PolarHBondContact O-N 2.73Å |
| 995 | E | 85.6 | Confident | 88.4 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 29% | 0.285 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -8 | -172.7 | -55.3 | 177.7 | 124.9 | 0 | 0 | 112.9 | T956 S992 E993 Q997 L998 K999 | T956-E995 HydrophobicContact CG2-CB 4.37Å; T956-E995 HydrophobicContact CG2-CG 4.4Å; T956-E995 WeakPolarHBondContact CG2-OE1 2.96Å; S992-E995 PolarHBondContact O-N 3.17Å; S992-E995 VanDerWaalsContact O-N 3.15Å; S992-E995 WeakPolarHBondContact OG-CB 3.48Å; S992-E995 PolarHBondContact OG-OE2 3.39Å; E993-E995 VanDerWaalsContact C-N 3.34Å; E993-E995 PolarHBondContact O-N 3.5Å; E995-Q997 VanDerWaalsContact C-N 3.29Å; E995-Q997 PolarHBondContact O-N 3.14Å; E995-L998 PolarHBondContact O-N 3.45Å; E995-K999 HydrophobicContact CB-CD 4.14Å; E995-K999 HydrophobicContact CB-CG 4.44Å; E995-K999 PolarHBondContact O-N 2.95Å; E995-K999 WeakPolarHBondContact OE2-CE 3.4Å; E995-K999 IonicContact OE2-NZ 2.68Å; E995-K999 PolarHBondContact OE2-NZ 3.38Å |
| 996 | I | 88.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.5 | -41.5 | -170.1 | -166.4 | 63.6 | 0 | 0 | 0 | 112.2 | L991 S992 E993 L998 K999 L1000 Y1036 F1045 | L991-I996 HydrophobicContact CB-CD1 4.19Å; L991-I996 HydrophobicContact CD2-CD1 3.82Å; L991-I996 HydrophobicContact CG-CD1 4.48Å; S992-I996 WeakPolarHBondContact O-CB 3.45Å; S992-I996 PolarHBondContact O-N 3.5Å; E993-I996 VanDerWaalsContact O-CG2 3.32Å; E993-I996 WeakPolarHBondContact O-CG2 3.17Å; I996-L998 VanDerWaalsContact C-N 3.31Å; I996-L998 PolarHBondContact O-N 2.9Å; I996-K999 PolarHBondContact O-N 2.77Å; I996-L1000 HydrophobicContact CD1-CD1 4.33Å; I996-L1000 HydrophobicContact CD1-CD2 4.4Å; I996-L1000 HydrophobicContact CD1-CG 4.15Å; I996-L1000 HydrophobicContact CG1-CD1 3.79Å; I996-L1000 HydrophobicContact CG1-CG 4.08Å; I996-L1000 WeakPolarHBondContact O-CB 3.49Å; I996-L1000 WeakPolarHBondContact O-CG 3.33Å; I996-L1000 PolarHBondContact O-N 2.83Å; I996-Y1036 HydrophobicContact CD1-CD1 4.25Å; I996-Y1036 HydrophobicContact CD1-CE1 3.89Å; I996-Y1036 HydrophobicContact CD1-CE2 4.26Å; I996-Y1036 HydrophobicContact CG1-CE1 3.91Å; I996-F1045 HydrophobicContact CG2-CD2 3.43Å; I996-F1045 VanDerWaalsContact CG2-CD2 3.43Å; I996-F1045 HydrophobicContact CG2-CE2 3.68Å; I996-F1045 HydrophobicContact CG2-CG 4.4Å |
| 997 | Q | 91.4 | Very high | 88.4 | Confident | 128 Ų | 128 | 43 Ų | 43 | 60% | 0.598 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.3 | -39.8 | -179.9 | -169.4 | -179.7 | 10.5 | 0 | 0 | 112.2 | E995 K1001 F1045 | E995-Q997 VanDerWaalsContact C-N 3.29Å; E995-Q997 PolarHBondContact O-N 3.14Å; Q997-K1001 WeakPolarHBondContact O-CB 3.47Å; Q997-K1001 PolarHBondContact O-N 2.8Å; Q997-K1001 VanDerWaalsContact O-N 3.17Å; Q997-F1045 HydrophobicContact CB-CD1 4.45Å; Q997-F1045 HydrophobicContact CB-CE1 3.87Å; Q997-F1045 HydrophobicContact CB-CE2 4.14Å; Q997-F1045 HydrophobicContact CB-CZ 3.69Å; Q997-F1045 HydrophobicContact CG-CD1 4.25Å; Q997-F1045 HydrophobicContact CG-CE1 3.6Å; Q997-F1045 HydrophobicContact CG-CZ 3.89Å |
| 998 | L | 91.4 | Very high | 88.3 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.4 | -45.5 | 179.1 | -177.6 | 64.1 | 0 | 0 | 0 | 111 | T956 C959 E995 I996 K1001 Y1002 | T956-L998 HydrophobicContact CG2-CD2 4.47Å; C959-L998 HydrophobicContact CB-CD2 4.23Å; C959-L998 HydrophobicContact CB-CG 4.39Å; E995-L998 PolarHBondContact O-N 3.45Å; I996-L998 VanDerWaalsContact C-N 3.31Å; I996-L998 PolarHBondContact O-N 2.9Å; L998-K1001 PolarHBondContact O-N 3.42Å; L998-Y1002 HydrophobicContact CD1-CD2 4.02Å; L998-Y1002 HydrophobicContact CD1-CE2 4.06Å; L998-Y1002 HydrophobicContact CG-CD2 4.41Å; L998-Y1002 PolarHBondContact O-N 2.99Å; L998-Y1002 VanDerWaalsContact O-N 3.07Å |
| 999 | K | 92.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 178.5 | -68.4 | 178.6 | 176.7 | 166.4 | 0 | 111 | T956 L987 S990 S992 E995 I996 K1001 Y1002 M1003 | T956-K999 HydrophobicContact CG2-CG 4.49Å; T956-K999 VanDerWaalsContact OG1-CE 3.24Å; T956-K999 WeakPolarHBondContact OG1-CE 3.46Å; L987-K999 HydrophobicContact CD2-CG 4Å; S990-K999 WeakPolarHBondContact O-CD 3.18Å; S990-K999 WeakPolarHBondContact O-CE 3.47Å; S990-K999 PolarHBondContact O-NZ 2.97Å; S992-K999 PolarHBondContact OG-NZ 2.78Å; S992-K999 VanDerWaalsContact OG-NZ 3.1Å; E995-K999 HydrophobicContact CB-CD 4.14Å; E995-K999 HydrophobicContact CB-CG 4.44Å; E995-K999 PolarHBondContact O-N 2.95Å; E995-K999 WeakPolarHBondContact OE2-CE 3.4Å; E995-K999 IonicContact OE2-NZ 2.68Å; E995-K999 PolarHBondContact OE2-NZ 3.38Å; I996-K999 PolarHBondContact O-N 2.77Å; K999-K1001 PolarHBondContact O-N 2.93Å; K999-Y1002 PolarHBondContact O-N 3.46Å; K999-M1003 WeakPolarHBondContact O-CB 3.44Å; K999-M1003 WeakPolarHBondContact O-CG 3.33Å; K999-M1003 PolarHBondContact O-N 2.63Å |
| 1000 | L | 92.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.5 | -65.8 | 172.9 | 0 | 0 | 0 | 112.1 | I996 Y1002 M1003 L1004 L1033 F1045 E1048 I1049 I1052 | I996-L1000 HydrophobicContact CD1-CD1 4.33Å; I996-L1000 HydrophobicContact CD1-CD2 4.4Å; I996-L1000 HydrophobicContact CD1-CG 4.15Å; I996-L1000 HydrophobicContact CG1-CD1 3.79Å; I996-L1000 HydrophobicContact CG1-CG 4.08Å; I996-L1000 WeakPolarHBondContact O-CB 3.49Å; I996-L1000 WeakPolarHBondContact O-CG 3.33Å; I996-L1000 PolarHBondContact O-N 2.83Å; L1000-Y1002 PolarHBondContact O-N 2.66Å; L1000-M1003 PolarHBondContact O-N 2.98Å; L1000-L1004 WeakPolarHBondContact O-CB 3.28Å; L1000-L1004 PolarHBondContact O-N 3.23Å; L1000-L1033 HydrophobicContact CD2-CD2 3.67Å; L1000-F1045 HydrophobicContact CD1-CB 3.78Å; L1000-E1048 HydrophobicContact CD1-CB 4.13Å; L1000-I1049 HydrophobicContact CD1-CD1 4.44Å; L1000-I1049 HydrophobicContact CD1-CG1 3.8Å; L1000-I1049 HydrophobicContact CD2-CG1 3.84Å; L1000-I1052 HydrophobicContact CB-CD1 3.71Å; L1000-I1052 HydrophobicContact CD2-CD1 3.53Å; L1000-I1052 HydrophobicContact CG-CD1 4.17Å; L1000-I1052 WeakPolarHBondContact O-CD1 3.5Å |
| 1001 | K | 92.3 | Very high | 88 | Confident | 111 Ų | 111 | 43.1 Ų | 43.1 | 48% | 0.483 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 178.7 | -165.1 | -169.4 | 174 | -175.8 | 0 | 112 | V964 Q997 L998 K999 A1005 | V964-K1001 HydrophobicContact CB-CD 4.46Å; V964-K1001 HydrophobicContact CG2-CD 3.75Å; V964-K1001 HydrophobicContact CG2-CG 3.94Å; Q997-K1001 WeakPolarHBondContact O-CB 3.47Å; Q997-K1001 PolarHBondContact O-N 2.8Å; Q997-K1001 VanDerWaalsContact O-N 3.17Å; L998-K1001 PolarHBondContact O-N 3.42Å; K999-K1001 PolarHBondContact O-N 2.93Å; K1001-A1005 PolarHBondContact O-N 2.94Å |
| 1002 | Y | 93.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.2 | -42.7 | 176.1 | -95.4 | -82.1 | 0 | 0 | 0 | 112.9 | F943 C959 V962 V964 V967 F968 L983 L998 K999 L1000 L1004 A1005 A1006 | F943-Y1002 HydrophobicContact CE1-CE1 4.36Å; F943-Y1002 AromaticContact CZ-CE1 3.81Å; F943-Y1002 HydrophobicContact CZ-CE1 3.81Å; C959-Y1002 HydrophobicContact CB-CD2 3.64Å; C959-Y1002 HydrophobicContact CB-CE2 3.53Å; C959-Y1002 HydrophobicContact CB-CG 4.26Å; C959-Y1002 VanDerWaalsContact O-CE2 3.25Å; C959-Y1002 WeakPolarHBondContact O-CE2 3.31Å; V962-Y1002 PolarHBondContact O-OH 2.72Å; V964-Y1002 HydrophobicContact CG2-CD1 4.19Å; V964-Y1002 HydrophobicContact CG2-CD2 3.54Å; V964-Y1002 HydrophobicContact CG2-CE1 4.04Å; V964-Y1002 HydrophobicContact CG2-CE2 3.33Å; V964-Y1002 HydrophobicContact CG2-CG 3.96Å; V967-Y1002 HydrophobicContact CG2-CE1 4.47Å; F968-Y1002 HydrophobicContact CE2-CD1 4.1Å; F968-Y1002 HydrophobicContact CE2-CE1 4.29Å; L983-Y1002 HydrophobicContact CD2-CD1 4.26Å; L998-Y1002 HydrophobicContact CD1-CD2 4.02Å; L998-Y1002 HydrophobicContact CD1-CE2 4.06Å; L998-Y1002 HydrophobicContact CG-CD2 4.41Å; L998-Y1002 PolarHBondContact O-N 2.99Å; L998-Y1002 VanDerWaalsContact O-N 3.07Å; K999-Y1002 PolarHBondContact O-N 3.46Å; L1000-Y1002 PolarHBondContact O-N 2.66Å; Y1002-L1004 VanDerWaalsContact C-N 3.34Å; Y1002-L1004 PolarHBondContact O-N 2.94Å; Y1002-A1005 PolarHBondContact O-N 2.75Å; Y1002-A1006 WeakPolarHBondContact O-CB 3.27Å; Y1002-A1006 PolarHBondContact O-N 3Å |
| 1003 | M | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 177.2 | -73.8 | 168.5 | 64.1 | 0 | 0 | 111.9 | L987 A988 L991 K999 L1000 L1007 V1029 L1033 | L987-M1003 HydrophobicContact CB-CG 3.76Å; L987-M1003 HydrophobicContact CB-SD 3.97Å; L987-M1003 HydrophobicContact CD1-CG 4.14Å; A988-M1003 HydrophobicContact CB-CE 3.86Å; A988-M1003 HydrophobicContact CB-SD 4.46Å; L991-M1003 HydrophobicContact CD2-SD 4.47Å; K999-M1003 WeakPolarHBondContact O-CB 3.44Å; K999-M1003 WeakPolarHBondContact O-CG 3.33Å; K999-M1003 PolarHBondContact O-N 2.63Å; L1000-M1003 PolarHBondContact O-N 2.98Å; M1003-L1007 VanDerWaalsContact O-CB 3.28Å; M1003-L1007 WeakPolarHBondContact O-CB 3.1Å; M1003-L1007 WeakPolarHBondContact O-CD1 3.46Å; M1003-L1007 VanDerWaalsContact O-CG 3.28Å; M1003-L1007 WeakPolarHBondContact O-CG 3.17Å; M1003-L1007 PolarHBondContact O-N 3.28Å; M1003-V1029 HydrophobicContact CE-CB 4.49Å; M1003-V1029 HydrophobicContact CE-CG1 3.64Å; M1003-V1029 HydrophobicContact CE-CG2 4.15Å; M1003-L1033 HydrophobicContact CE-CD1 4.3Å; M1003-L1033 HydrophobicContact CE-CD2 4.24Å; M1003-L1033 HydrophobicContact CE-CG 4.29Å |
| 1004 | L | 91.6 | Very high | 85.9 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -46 | 177.2 | -177.5 | 58.5 | 0 | 0 | 0 | 112.1 | L1000 Y1002 L1007 A1008 I1051 I1052 V1055 | L1000-L1004 WeakPolarHBondContact O-CB 3.28Å; L1000-L1004 PolarHBondContact O-N 3.23Å; Y1002-L1004 VanDerWaalsContact C-N 3.34Å; Y1002-L1004 PolarHBondContact O-N 2.94Å; L1004-L1007 PolarHBondContact O-N 3.24Å; L1004-A1008 WeakPolarHBondContact O-CB 3.41Å; L1004-A1008 PolarHBondContact O-N 2.89Å; L1004-I1051 HydrophobicContact CD1-CG2 4.05Å; L1004-I1051 HydrophobicContact CD2-CG2 4.26Å; L1004-I1052 HydrophobicContact CB-CD1 4.12Å; L1004-I1052 HydrophobicContact CB-CG1 3.78Å; L1004-I1052 HydrophobicContact CD1-CG1 3.88Å; L1004-I1052 HydrophobicContact CG-CG1 4.3Å; L1004-V1055 HydrophobicContact CD1-CG2 3.97Å |
| 1005 | A | 89.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 41 Ų | 41 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V964 F968 K1001 Y1002 A1008 A1009 | V964-A1005 HydrophobicContact CG1-CB 3.56Å; F968-A1005 HydrophobicContact CB-CB 4.02Å; F968-A1005 HydrophobicContact CD2-CB 3.82Å; F968-A1005 HydrophobicContact CE2-CB 4.47Å; F968-A1005 HydrophobicContact CG-CB 3.94Å; K1001-A1005 PolarHBondContact O-N 2.94Å; Y1002-A1005 PolarHBondContact O-N 2.75Å; A1005-A1008 PolarHBondContact O-N 2.89Å; A1005-A1009 WeakPolarHBondContact O-CB 3.45Å; A1005-A1009 PolarHBondContact O-N 3.41Å |
| 1006 | A | 89.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.8 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F968 V984 Y1002 A1009 L1010 | F968-A1006 HydrophobicContact CE1-CB 4.11Å; F968-A1006 HydrophobicContact CE2-CB 4.36Å; F968-A1006 HydrophobicContact CZ-CB 3.7Å; V984-A1006 HydrophobicContact CG2-CB 3.47Å; V984-A1006 VanDerWaalsContact CG2-CB 3.47Å; Y1002-A1006 WeakPolarHBondContact O-CB 3.27Å; Y1002-A1006 PolarHBondContact O-N 3Å; A1006-A1009 PolarHBondContact O-N 2.91Å; A1006-L1010 WeakPolarHBondContact O-CB 3.34Å; A1006-L1010 WeakPolarHBondContact O-CG 3.44Å; A1006-L1010 PolarHBondContact O-N 3.36Å |
| 1007 | L | 88.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 173.5 | -75.9 | 165.4 | 0 | 0 | 0 | 112.4 | V984 M1003 L1004 L1010 D1011 V1029 I1052 V1055 A1056 I1059 | V984-L1007 HydrophobicContact CG1-CD2 4.25Å; V984-L1007 HydrophobicContact CG1-CG 4.34Å; V984-L1007 HydrophobicContact CG2-CG 4.17Å; M1003-L1007 VanDerWaalsContact O-CB 3.28Å; M1003-L1007 WeakPolarHBondContact O-CB 3.1Å; M1003-L1007 WeakPolarHBondContact O-CD1 3.46Å; M1003-L1007 VanDerWaalsContact O-CG 3.28Å; M1003-L1007 WeakPolarHBondContact O-CG 3.17Å; M1003-L1007 PolarHBondContact O-N 3.28Å; L1004-L1007 PolarHBondContact O-N 3.24Å; L1007-L1010 HydrophobicContact CD2-CD1 4.48Å; L1007-L1010 PolarHBondContact O-N 3.04Å; L1007-D1011 PolarHBondContact O-N 3.09Å; L1007-V1029 HydrophobicContact CD1-CG1 4.16Å; L1007-I1052 HydrophobicContact CD1-CG2 3.73Å; L1007-V1055 HydrophobicContact CB-CG1 4.04Å; L1007-A1056 HydrophobicContact CD1-CB 4.44Å; L1007-I1059 HydrophobicContact CB-CD1 4.29Å; L1007-I1059 HydrophobicContact CD2-CD1 3.91Å; L1007-I1059 WeakPolarHBondContact O-CD1 3.2Å |
| 1008 | A | 87 | Confident | 81.2 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 35% | 0.347 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1004 A1005 L1010 D1011 E1012 | L1004-A1008 WeakPolarHBondContact O-CB 3.41Å; L1004-A1008 PolarHBondContact O-N 2.89Å; A1005-A1008 PolarHBondContact O-N 2.89Å; A1008-L1010 VanDerWaalsContact C-N 3.28Å; A1008-L1010 PolarHBondContact O-N 2.77Å; A1008-D1011 PolarHBondContact O-N 2.97Å; A1008-D1011 VanDerWaalsContact O-N 3.1Å; A1008-E1012 PolarHBondContact O-N 3.5Å; A1008-E1012 VanDerWaalsContact O-N 3.11Å |
| 1009 | A | 84.6 | Confident | 80.5 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | F968 T973 A1005 A1006 S1013 | F968-A1009 HydrophobicContact CD1-CB 3.81Å; F968-A1009 HydrophobicContact CE1-CB 3.93Å; T973-A1009 HydrophobicContact CG2-CB 3.69Å; A1005-A1009 WeakPolarHBondContact O-CB 3.45Å; A1005-A1009 PolarHBondContact O-N 3.41Å; A1006-A1009 PolarHBondContact O-N 2.91Å; A1009-S1013 VanDerWaalsContact O-CB 3.27Å; A1009-S1013 WeakPolarHBondContact O-CB 3.49Å; A1009-S1013 PolarHBondContact O-N 3.05Å; A1009-S1013 PolarHBondContact O-OG 3.31Å |
| 1010 | L | 82.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.1 | -34.6 | 175.1 | -70.8 | 168.8 | 0 | 0 | 0 | 112.6 | V977 L981 V984 A1006 L1007 A1008 E1012 A1014 | V977-L1010 HydrophobicContact CG1-CD2 3.71Å; L981-L1010 HydrophobicContact CD2-CD1 3.76Å; L981-L1010 HydrophobicContact CD2-CD2 4.04Å; L981-L1010 HydrophobicContact CG-CD1 4.17Å; L981-L1010 HydrophobicContact CG-CD2 3.84Å; V984-L1010 HydrophobicContact CG2-CD1 4.32Å; A1006-L1010 WeakPolarHBondContact O-CB 3.34Å; A1006-L1010 WeakPolarHBondContact O-CG 3.44Å; A1006-L1010 PolarHBondContact O-N 3.36Å; L1007-L1010 HydrophobicContact CD2-CD1 4.48Å; L1007-L1010 PolarHBondContact O-N 3.04Å; A1008-L1010 VanDerWaalsContact C-N 3.28Å; A1008-L1010 PolarHBondContact O-N 2.77Å; L1010-E1012 VanDerWaalsContact C-N 3.35Å; L1010-A1014 WeakPolarHBondContact O-CB 3.38Å; L1010-A1014 PolarHBondContact O-N 2.96Å |
| 1011 | D | 81.8 | Confident | 78.7 | Confident | 55 Ų | 55 | 48 Ų | 48 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 177.6 | -162 | 32.6 | 0 | 0 | 0 | 112.1 | L1007 A1008 I1059 K1062 | L1007-D1011 PolarHBondContact O-N 3.09Å; A1008-D1011 PolarHBondContact O-N 2.97Å; A1008-D1011 VanDerWaalsContact O-N 3.1Å; D1011-I1059 HydrophobicContact CB-CD1 4.09Å; D1011-I1059 HydrophobicContact CB-CG1 3.86Å; D1011-I1059 WeakPolarHBondContact OD1-CG1 3.31Å; D1011-K1062 PolarHBondContact O-NZ 3.38Å; D1011-K1062 WeakPolarHBondContact OD1-CE 3.28Å; D1011-K1062 IonicContact OD1-NZ 2.75Å; D1011-K1062 PolarHBondContact OD1-NZ 3.15Å |
| 1012 | E | 77.1 | Confident | 78.2 | Confident | 168 Ų | 168 | 42.9 Ų | 42.9 | 79% | 0.785 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -78.6 | -34.7 | 176.6 | -67 | -176.3 | 175.5 | 0 | 0 | 113.4 | A1008 L1010 | A1008-E1012 PolarHBondContact O-N 3.5Å; A1008-E1012 VanDerWaalsContact O-N 3.11Å; L1010-E1012 VanDerWaalsContact C-N 3.35Å |
| 1013 | S | 68.8 | Low | 77.7 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -95.8 | -2.9 | -175.3 | 65 | 0 | 0 | 0 | 0 | 115.5 | A1009 T1015 | A1009-S1013 VanDerWaalsContact O-CB 3.27Å; A1009-S1013 WeakPolarHBondContact O-CB 3.49Å; A1009-S1013 PolarHBondContact O-N 3.05Å; A1009-S1013 PolarHBondContact O-OG 3.31Å; S1013-T1015 PolarHBondContact O-N 3.26Å |
| 1014 | A | 60.8 | Low | 77.1 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 20% | 0.198 | 27% | 0.273 | C | S | . | . | trans | -67.9 | 94.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1010 L1019 | L1010-A1014 WeakPolarHBondContact O-CB 3.38Å; L1010-A1014 PolarHBondContact O-N 2.96Å; A1014-L1019 HydrophobicContact CB-CD1 4Å | ||
| 1015 | T | 62.2 | Low | 76.8 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | trans | -82.8 | 159.8 | 161.6 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | S1013 V1017 N1018 L1019 | S1013-T1015 PolarHBondContact O-N 3.26Å; T1015-V1017 PolarHBondContact O-N 3.49Å; T1015-N1018 PolarHBondContact O-N 3.38Å; T1015-L1019 PolarHBondContact O-N 2.92Å | ||
| 1016 | D | 57.8 | Low | 76.6 | Confident | 116 Ų | 116 | 45.5 Ų | 45.5 | 62% | 0.62 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -47.5 | -34.2 | -176.2 | -55.4 | -27.9 | 0 | 0 | 0 | 114.2 | N1018 | D1016-N1018 VanDerWaalsContact C-N 3.34Å; D1016-N1018 PolarHBondContact O-N 2.86Å |
| 1017 | V | 58 | Low | 76.5 | Confident | 122 Ų | 122 | 48.9 Ų | 48.9 | 74% | 0.739 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.1 | -31.1 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 113.2 | T1015 | T1015-V1017 PolarHBondContact O-N 3.49Å |
| 1018 | N | 70.6 | Confident | 76.4 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -113.7 | -8.7 | -178.3 | -69.4 | -49.2 | 0 | 0 | 0 | 113.3 | V977 T1015 D1016 E1020 L1021 A1022 | V977-N1018 HydrophobicContact CG1-CB 4.03Å; T1015-N1018 PolarHBondContact O-N 3.38Å; D1016-N1018 VanDerWaalsContact C-N 3.34Å; D1016-N1018 PolarHBondContact O-N 2.86Å; N1018-E1020 VanDerWaalsContact C-N 3.3Å; N1018-E1020 PolarHBondContact O-N 2.94Å; N1018-L1021 PolarHBondContact O-N 3.34Å; N1018-L1021 VanDerWaalsContact O-N 3.1Å; N1018-A1022 PolarHBondContact O-N 2.93Å |
| 1019 | L | 76.3 | Confident | 76.5 | Confident | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.9 | -42.2 | -175 | 179.2 | 60.8 | 0 | 0 | 0 | 112.6 | A1014 T1015 L1021 A1022 I1023 K1062 | A1014-L1019 HydrophobicContact CB-CD1 4Å; T1015-L1019 PolarHBondContact O-N 2.92Å; L1019-L1021 VanDerWaalsContact C-N 3.33Å; L1019-L1021 PolarHBondContact O-N 3.34Å; L1019-A1022 PolarHBondContact O-N 3.15Å; L1019-I1023 HydrophobicContact CD1-CD1 4.21Å; L1019-I1023 HydrophobicContact CD1-CG1 4.45Å; L1019-I1023 HydrophobicContact CG-CD1 3.93Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.34Å; L1019-I1023 VanDerWaalsContact O-CG1 3.29Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.38Å; L1019-I1023 PolarHBondContact O-N 2.94Å; L1019-K1062 HydrophobicContact CD1-CB 3.84Å; L1019-K1062 HydrophobicContact CD1-CD 3.63Å; L1019-K1062 HydrophobicContact CD1-CG 4.38Å |
| 1020 | E | 74.7 | Confident | 76.8 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 33% | 0.327 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 179.3 | -155.5 | -166.5 | -130.6 | 0 | 0 | 112.8 | H801 N1018 L1024 | H801-E1020 WeakPolarHBondContact CB-OE1 3.32Å; H801-E1020 IonicContact CE1-OE2 2.7Å; H801-E1020 IonicContact CG-OE1 2.66Å; H801-E1020 IonicContact CG-OE2 3.03Å; H801-E1020 WeakPolarHBondContact ND1-CG 3.45Å; H801-E1020 IonicContact ND1-OE1 2.64Å; H801-E1020 PolarHBondContact ND1-OE1 3.09Å; H801-E1020 IonicContact ND1-OE2 3.07Å; H801-E1020 PolarHBondContact ND1-OE2 3.35Å; N1018-E1020 VanDerWaalsContact C-N 3.3Å; N1018-E1020 PolarHBondContact O-N 2.94Å; E1020-L1024 PolarHBondContact O-N 2.98Å; E1020-L1024 VanDerWaalsContact O-N 3.09Å |
| 1021 | L | 74.7 | Confident | 77.1 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.3 | -39.6 | 175.3 | -62.4 | 174 | 0 | 0 | 0 | 111.3 | Y794 L981 N1018 L1019 L1024 E1025 | Y794-L1021 HydrophobicContact CD1-CD1 4.15Å; Y794-L1021 HydrophobicContact CE1-CD1 3.52Å; L981-L1021 HydrophobicContact CD1-CB 4Å; N1018-L1021 PolarHBondContact O-N 3.34Å; N1018-L1021 VanDerWaalsContact O-N 3.1Å; L1019-L1021 VanDerWaalsContact C-N 3.33Å; L1019-L1021 PolarHBondContact O-N 3.34Å; L1021-L1024 PolarHBondContact O-N 3.33Å; L1021-E1025 WeakPolarHBondContact O-CB 3.4Å; L1021-E1025 PolarHBondContact O-N 2.97Å |
| 1022 | A | 80.6 | Confident | 77.6 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L981 N1018 L1019 A1026 I1059 | L981-A1022 HydrophobicContact CD2-CB 4.42Å; N1018-A1022 PolarHBondContact O-N 2.93Å; L1019-A1022 PolarHBondContact O-N 3.15Å; A1022-A1026 WeakPolarHBondContact O-CB 3.4Å; A1022-A1026 PolarHBondContact O-N 2.91Å; A1022-I1059 HydrophobicContact CB-CG2 3.93Å; A1022-I1059 WeakPolarHBondContact O-CG2 3.41Å |
| 1023 | I | 83.3 | Confident | 78.2 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 172.4 | -72.7 | 161.9 | 0 | 0 | 0 | 110.8 | L1019 A1026 I1027 I1059 K1062 | L1019-I1023 HydrophobicContact CD1-CD1 4.21Å; L1019-I1023 HydrophobicContact CD1-CG1 4.45Å; L1019-I1023 HydrophobicContact CG-CD1 3.93Å; L1019-I1023 WeakPolarHBondContact O-CD1 3.34Å; L1019-I1023 VanDerWaalsContact O-CG1 3.29Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.38Å; L1019-I1023 PolarHBondContact O-N 2.94Å; I1023-A1026 PolarHBondContact O-N 3.38Å; I1023-I1027 HydrophobicContact CG2-CD1 3.98Å; I1023-I1027 VanDerWaalsContact O-CG1 3.31Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.43Å; I1023-I1027 PolarHBondContact O-N 3.3Å; I1023-I1059 WeakPolarHBondContact CG1-O 2.94Å; I1023-K1062 VanDerWaalsContact CD1-O 3.25Å; I1023-K1062 WeakPolarHBondContact CD1-O 3.4Å |
| 1024 | L | 79.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 45% | 0.445 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | -179.2 | -177.3 | 61.5 | 0 | 0 | 0 | 112.4 | E1020 L1021 A1026 I1027 Y1028 | E1020-L1024 PolarHBondContact O-N 2.98Å; E1020-L1024 VanDerWaalsContact O-N 3.09Å; L1021-L1024 PolarHBondContact O-N 3.33Å; L1024-A1026 VanDerWaalsContact C-N 3.34Å; L1024-A1026 PolarHBondContact O-N 3.35Å; L1024-I1027 WeakPolarHBondContact O-CB 3.4Å; L1024-I1027 PolarHBondContact O-N 2.96Å; L1024-Y1028 PolarHBondContact O-N 2.88Å |
| 1025 | E | 84.1 | Confident | 80.4 | Confident | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 179.8 | -163.1 | 57.7 | -127.3 | 0 | 0 | 111.4 | L981 V984 H985 L1021 I1027 Y1028 V1029 | L981-E1025 HydrophobicContact CD2-CB 3.76Å; L981-E1025 HydrophobicContact CD2-CG 4.06Å; V984-E1025 HydrophobicContact CB-CG 4.44Å; V984-E1025 HydrophobicContact CG1-CG 4.04Å; H985-E1025 VanDerWaalsContact CA-OE1 3.25Å; H985-E1025 WeakPolarHBondContact CA-OE1 3.22Å; H985-E1025 VanDerWaalsContact CB-OE1 3.31Å; H985-E1025 WeakPolarHBondContact CB-OE1 3.41Å; H985-E1025 IonicContact CE1-OE1 2.7Å; H985-E1025 IonicContact CG-OE1 2.68Å; H985-E1025 IonicContact CG-OE2 2.82Å; H985-E1025 VanDerWaalsContact ND1-CD 3.33Å; H985-E1025 IonicContact ND1-OE1 2.68Å; H985-E1025 PolarHBondContact ND1-OE1 3.38Å; H985-E1025 IonicContact ND1-OE2 2.7Å; H985-E1025 PolarHBondContact ND1-OE2 2.99Å; H985-E1025 VanDerWaalsContact ND1-OE2 3.11Å; L1021-E1025 WeakPolarHBondContact O-CB 3.4Å; L1021-E1025 PolarHBondContact O-N 2.97Å; E1025-I1027 VanDerWaalsContact C-N 3.32Å; E1025-I1027 PolarHBondContact O-N 3.46Å; E1025-Y1028 PolarHBondContact O-N 3.39Å; E1025-Y1028 VanDerWaalsContact OE1-CD1 3.25Å; E1025-Y1028 WeakPolarHBondContact OE1-CD1 3.47Å; E1025-V1029 WeakPolarHBondContact O-CG2 3.37Å; E1025-V1029 PolarHBondContact O-N 2.84Å |
| 1026 | A | 86.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -35.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1022 I1023 L1024 M1030 A1056 I1059 A1060 | A1022-A1026 WeakPolarHBondContact O-CB 3.4Å; A1022-A1026 PolarHBondContact O-N 2.91Å; I1023-A1026 PolarHBondContact O-N 3.38Å; L1024-A1026 VanDerWaalsContact C-N 3.34Å; L1024-A1026 PolarHBondContact O-N 3.35Å; A1026-M1030 WeakPolarHBondContact O-CG 3.42Å; A1026-M1030 PolarHBondContact O-N 2.86Å; A1026-M1030 VanDerWaalsContact O-N 3.15Å; A1026-A1056 HydrophobicContact CB-CB 4.01Å; A1026-A1056 WeakPolarHBondContact CB-O 3.33Å; A1026-I1059 HydrophobicContact CB-CB 4.06Å; A1026-I1059 HydrophobicContact CB-CG2 4.04Å; A1026-A1060 HydrophobicContact CB-CB 4.34Å |
| 1027 | I | 86.4 | Confident | 83.1 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 36% | 0.359 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.6 | -68.1 | 163.5 | 0 | 0 | 0 | 110.8 | I1023 L1024 E1025 V1029 M1030 D1031 A1060 | I1023-I1027 HydrophobicContact CG2-CD1 3.98Å; I1023-I1027 VanDerWaalsContact O-CG1 3.31Å; I1023-I1027 WeakPolarHBondContact O-CG1 3.43Å; I1023-I1027 PolarHBondContact O-N 3.3Å; L1024-I1027 WeakPolarHBondContact O-CB 3.4Å; L1024-I1027 PolarHBondContact O-N 2.96Å; E1025-I1027 VanDerWaalsContact C-N 3.32Å; E1025-I1027 PolarHBondContact O-N 3.46Å; I1027-V1029 PolarHBondContact O-N 3.18Å; I1027-M1030 HydrophobicContact CG1-CE 4.1Å; I1027-M1030 PolarHBondContact O-N 3.5Å; I1027-M1030 VanDerWaalsContact O-N 3.15Å; I1027-D1031 PolarHBondContact O-N 2.85Å; I1027-D1031 VanDerWaalsContact O-N 3.08Å; I1027-A1060 HydrophobicContact CD1-CB 4.5Å; I1027-A1060 HydrophobicContact CG1-CB 3.92Å |
| 1028 | Y | 87.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 176.4 | 177.1 | -109.2 | 0 | 0 | 0 | 112.2 | H985 A988 S989 L1024 E1025 M1030 D1031 M1032 | H985-Y1028 AromaticContact CE1-CD1 3.75Å; H985-Y1028 AromaticContact CE1-CE1 3.51Å; H985-Y1028 AromaticContact CE1-CZ 3.88Å; H985-Y1028 AromaticContact ND1-CD1 3.52Å; H985-Y1028 AromaticContact ND1-CE1 3.51Å; A988-Y1028 HydrophobicContact CB-CD1 4.32Å; A988-Y1028 HydrophobicContact CB-CE1 3.98Å; S989-Y1028 WeakPolarHBondContact CA-OH 3.14Å; S989-Y1028 WeakPolarHBondContact CB-OH 3.19Å; L1024-Y1028 PolarHBondContact O-N 2.88Å; E1025-Y1028 PolarHBondContact O-N 3.39Å; E1025-Y1028 VanDerWaalsContact OE1-CD1 3.25Å; E1025-Y1028 WeakPolarHBondContact OE1-CD1 3.47Å; Y1028-M1030 VanDerWaalsContact C-N 3.34Å; Y1028-M1030 PolarHBondContact O-N 3.2Å; Y1028-D1031 PolarHBondContact O-N 2.64Å; Y1028-M1032 HydrophobicContact CD1-CG 4.35Å; Y1028-M1032 HydrophobicContact CD2-CG 4.1Å; Y1028-M1032 HydrophobicContact CE1-CG 3.92Å; Y1028-M1032 HydrophobicContact CE2-CG 3.61Å; Y1028-M1032 HydrophobicContact CE2-SD 3.84Å; Y1028-M1032 HydrophobicContact CG-CG 4.44Å; Y1028-M1032 WeakPolarHBondContact O-CG 3.41Å; Y1028-M1032 PolarHBondContact O-N 3.48Å |
| 1029 | V | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -45 | 174.5 | 169 | 0 | 0 | 0 | 0 | 111.9 | V984 A988 M1003 L1007 E1025 I1027 D1031 M1032 L1033 I1052 | V984-V1029 HydrophobicContact CG1-CG2 3.27Å; A988-V1029 HydrophobicContact CB-CG2 4.09Å; M1003-V1029 HydrophobicContact CE-CB 4.49Å; M1003-V1029 HydrophobicContact CE-CG1 3.64Å; M1003-V1029 HydrophobicContact CE-CG2 4.15Å; L1007-V1029 HydrophobicContact CD1-CG1 4.16Å; E1025-V1029 WeakPolarHBondContact O-CG2 3.37Å; E1025-V1029 PolarHBondContact O-N 2.84Å; I1027-V1029 PolarHBondContact O-N 3.18Å; V1029-D1031 PolarHBondContact O-N 3.07Å; V1029-M1032 PolarHBondContact O-N 2.95Å; V1029-L1033 HydrophobicContact CG1-CD1 3.63Å; V1029-L1033 HydrophobicContact CG1-CG 4.12Å; V1029-L1033 VanDerWaalsContact O-CB 3.32Å; V1029-L1033 WeakPolarHBondContact O-CB 3.32Å; V1029-L1033 VanDerWaalsContact O-CG 3.32Å; V1029-L1033 WeakPolarHBondContact O-CG 3.49Å; V1029-L1033 PolarHBondContact O-N 3.48Å; V1029-I1052 HydrophobicContact CG1-CG2 3.99Å |
| 1030 | M | 90.7 | Very high | 85.7 | Confident | 40 Ų | 40 | 53.4 Ų | 53.4 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 179.4 | -74.1 | -173.7 | -72.1 | 0 | 0 | 112.1 | A1026 I1027 Y1028 K1034 N1053 A1056 K1057 A1060 | A1026-M1030 WeakPolarHBondContact O-CG 3.42Å; A1026-M1030 PolarHBondContact O-N 2.86Å; A1026-M1030 VanDerWaalsContact O-N 3.15Å; I1027-M1030 HydrophobicContact CG1-CE 4.1Å; I1027-M1030 PolarHBondContact O-N 3.5Å; I1027-M1030 VanDerWaalsContact O-N 3.15Å; Y1028-M1030 VanDerWaalsContact C-N 3.34Å; Y1028-M1030 PolarHBondContact O-N 3.2Å; M1030-K1034 WeakPolarHBondContact O-CB 3.3Å; M1030-K1034 PolarHBondContact O-N 2.9Å; M1030-N1053 WeakPolarHBondContact CA-OD1 3.36Å; M1030-N1053 WeakPolarHBondContact CG-OD1 3.47Å; M1030-A1056 HydrophobicContact CG-CB 3.79Å; M1030-A1056 HydrophobicContact SD-CB 4.33Å; M1030-K1057 HydrophobicContact SD-CB 3.76Å; M1030-K1057 HydrophobicContact SD-CG 4.44Å; M1030-A1060 HydrophobicContact CE-CB 3.77Å |
| 1031 | D | 89 | Confident | 85.9 | Confident | 88 Ų | 88 | 55.1 Ų | 55.1 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 178.4 | -83.3 | -23.1 | 0 | 0 | 0 | 112.9 | I1027 Y1028 V1029 Q1035 | I1027-D1031 PolarHBondContact O-N 2.85Å; I1027-D1031 VanDerWaalsContact O-N 3.08Å; Y1028-D1031 PolarHBondContact O-N 2.64Å; V1029-D1031 PolarHBondContact O-N 3.07Å; D1031-Q1035 VanDerWaalsContact O-CG 3.32Å; D1031-Q1035 WeakPolarHBondContact O-CG 3.2Å; D1031-Q1035 PolarHBondContact O-N 3.3Å; D1031-Q1035 PolarHBondContact O-NE2 2.99Å |
| 1032 | M | 91.1 | Very high | 86.3 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 176 | -68.3 | -54.2 | -60 | 0 | 0 | 112.2 | A988 L991 Y1028 V1029 K1034 Q1035 Y1036 | A988-M1032 HydrophobicContact CB-CB 4.47Å; L991-M1032 HydrophobicContact CD1-CB 4.37Å; Y1028-M1032 HydrophobicContact CD1-CG 4.35Å; Y1028-M1032 HydrophobicContact CD2-CG 4.1Å; Y1028-M1032 HydrophobicContact CE1-CG 3.92Å; Y1028-M1032 HydrophobicContact CE2-CG 3.61Å; Y1028-M1032 HydrophobicContact CE2-SD 3.84Å; Y1028-M1032 HydrophobicContact CG-CG 4.44Å; Y1028-M1032 WeakPolarHBondContact O-CG 3.41Å; Y1028-M1032 PolarHBondContact O-N 3.48Å; V1029-M1032 PolarHBondContact O-N 2.95Å; M1032-K1034 VanDerWaalsContact C-N 3.29Å; M1032-K1034 PolarHBondContact O-N 3.28Å; M1032-Q1035 PolarHBondContact O-N 3.05Å; M1032-Y1036 PolarHBondContact O-N 3.49Å |
| 1033 | L | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 175.9 | -72.5 | 179.7 | 0 | 0 | 0 | 112.3 | L991 L1000 M1003 V1029 S1037 I1049 I1052 | L991-L1033 HydrophobicContact CD1-CD2 3.99Å; L1000-L1033 HydrophobicContact CD2-CD2 3.67Å; M1003-L1033 HydrophobicContact CE-CD1 4.3Å; M1003-L1033 HydrophobicContact CE-CD2 4.24Å; M1003-L1033 HydrophobicContact CE-CG 4.29Å; V1029-L1033 HydrophobicContact CG1-CD1 3.63Å; V1029-L1033 HydrophobicContact CG1-CG 4.12Å; V1029-L1033 VanDerWaalsContact O-CB 3.32Å; V1029-L1033 WeakPolarHBondContact O-CB 3.32Å; V1029-L1033 VanDerWaalsContact O-CG 3.32Å; V1029-L1033 WeakPolarHBondContact O-CG 3.49Å; V1029-L1033 PolarHBondContact O-N 3.48Å; L1033-S1037 WeakPolarHBondContact O-CB 3.5Å; L1033-S1037 PolarHBondContact O-N 3.03Å; L1033-S1037 PolarHBondContact O-OG 3.49Å; L1033-I1049 HydrophobicContact CB-CG2 4.2Å; L1033-I1049 HydrophobicContact CD2-CG1 4.47Å; L1033-I1052 HydrophobicContact CD1-CB 4.09Å; L1033-I1052 HydrophobicContact CD1-CG2 3.55Å |
| 1034 | K | 88.4 | Confident | 86.5 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.1 | -50.9 | 172.2 | -176.3 | -167.2 | 168.2 | -159.6 | 0 | 111.1 | M1030 M1032 Y1036 S1037 D1038 | M1030-K1034 WeakPolarHBondContact O-CB 3.3Å; M1030-K1034 PolarHBondContact O-N 2.9Å; M1032-K1034 VanDerWaalsContact C-N 3.29Å; M1032-K1034 PolarHBondContact O-N 3.28Å; K1034-Y1036 VanDerWaalsContact C-N 3.29Å; K1034-Y1036 PolarHBondContact O-N 3.27Å; K1034-S1037 WeakPolarHBondContact O-CA 2.98Å; K1034-S1037 WeakPolarHBondContact O-CB 3.3Å; K1034-S1037 PolarHBondContact O-N 2.89Å; K1034-D1038 WeakPolarHBondContact CE-OD2 3.38Å; K1034-D1038 PolarHBondContact O-N 3.03Å |
| 1035 | Q | 88 | Confident | 86.9 | Confident | 96 Ų | 96 | 62.5 Ų | 62.5 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 177.2 | -75.7 | 168.3 | 78.5 | 0 | 0 | 112 | D1031 M1032 S1037 D1038 Q1039 | D1031-Q1035 VanDerWaalsContact O-CG 3.32Å; D1031-Q1035 WeakPolarHBondContact O-CG 3.2Å; D1031-Q1035 PolarHBondContact O-N 3.3Å; D1031-Q1035 PolarHBondContact O-NE2 2.99Å; M1032-Q1035 PolarHBondContact O-N 3.05Å; Q1035-S1037 VanDerWaalsContact C-N 3.34Å; Q1035-S1037 PolarHBondContact O-N 3Å; Q1035-D1038 PolarHBondContact O-N 3.12Å; Q1035-Q1039 WeakPolarHBondContact O-CB 3.43Å; Q1035-Q1039 VanDerWaalsContact O-CG 3.27Å; Q1035-Q1039 WeakPolarHBondContact O-CG 3.45Å; Q1035-Q1039 PolarHBondContact O-N 2.86Å; Q1035-Q1039 VanDerWaalsContact O-N 3.08Å |
| 1036 | Y | 88.3 | Confident | 86.9 | Confident | 10 Ų | 10 | 63 Ų | 63 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 174.7 | -177.3 | -91.3 | 0 | 0 | 0 | 112.7 | L991 I996 M1032 K1034 Q1039 N1040 I1049 | L991-Y1036 HydrophobicContact CB-CD2 3.48Å; L991-Y1036 VanDerWaalsContact CB-CD2 3.48Å; L991-Y1036 HydrophobicContact CB-CE2 4Å; L991-Y1036 HydrophobicContact CB-CG 4.07Å; L991-Y1036 HydrophobicContact CD1-CD2 4.43Å; L991-Y1036 HydrophobicContact CD1-CG 4.2Å; I996-Y1036 HydrophobicContact CD1-CD1 4.25Å; I996-Y1036 HydrophobicContact CD1-CE1 3.89Å; I996-Y1036 HydrophobicContact CD1-CE2 4.26Å; I996-Y1036 HydrophobicContact CG1-CE1 3.91Å; M1032-Y1036 PolarHBondContact O-N 3.49Å; K1034-Y1036 VanDerWaalsContact C-N 3.29Å; K1034-Y1036 PolarHBondContact O-N 3.27Å; Y1036-Q1039 PolarHBondContact O-N 2.79Å; Y1036-N1040 HydrophobicContact CE1-CB 4.24Å; Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.14Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.37Å; Y1036-N1040 PolarHBondContact O-N 2.92Å; Y1036-N1040 PolarHBondContact O-ND2 3.45Å; Y1036-I1049 HydrophobicContact CD1-CD1 4.17Å; Y1036-I1049 HydrophobicContact CE1-CD1 4.34Å |
| 1037 | S | 87.7 | Confident | 87 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | L1033 K1034 Q1035 Q1039 N1040 | L1033-S1037 WeakPolarHBondContact O-CB 3.5Å; L1033-S1037 PolarHBondContact O-N 3.03Å; L1033-S1037 PolarHBondContact O-OG 3.49Å; K1034-S1037 WeakPolarHBondContact O-CA 2.98Å; K1034-S1037 WeakPolarHBondContact O-CB 3.3Å; K1034-S1037 PolarHBondContact O-N 2.89Å; Q1035-S1037 VanDerWaalsContact C-N 3.34Å; Q1035-S1037 PolarHBondContact O-N 3Å; S1037-Q1039 VanDerWaalsContact C-N 3.28Å; S1037-Q1039 PolarHBondContact O-N 3.31Å; S1037-N1040 CarbonylContact O-C 3.57Å; S1037-N1040 PolarHBondContact O-N 3.36Å |
| 1038 | D | 87.1 | Confident | 87.1 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.9 | -31.2 | 176.7 | -69.3 | -22.1 | 0 | 0 | 0 | 111 | K1034 Q1035 | K1034-D1038 WeakPolarHBondContact CE-OD2 3.38Å; K1034-D1038 PolarHBondContact O-N 3.03Å; Q1035-D1038 PolarHBondContact O-N 3.12Å |
| 1039 | Q | 85.9 | Confident | 87.3 | Confident | 140 Ų | 140 | 62.8 Ų | 62.8 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.3 | -34.9 | 173.1 | -69.9 | 170.5 | 14.7 | 0 | 0 | 113.3 | Q1035 Y1036 S1037 P1041 | Q1035-Q1039 WeakPolarHBondContact O-CB 3.43Å; Q1035-Q1039 VanDerWaalsContact O-CG 3.27Å; Q1035-Q1039 WeakPolarHBondContact O-CG 3.45Å; Q1035-Q1039 PolarHBondContact O-N 2.86Å; Q1035-Q1039 VanDerWaalsContact O-N 3.08Å; Y1036-Q1039 PolarHBondContact O-N 2.79Å; S1037-Q1039 VanDerWaalsContact C-N 3.28Å; S1037-Q1039 PolarHBondContact O-N 3.31Å; Q1039-P1041 VanDerWaalsContact O-CD 3.22Å; Q1039-P1041 WeakPolarHBondContact O-CD 3.39Å |
| 1040 | N | 86 | Confident | 87.2 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | trans | -120.4 | 64.8 | -173 | -57.9 | -77.3 | 0 | 0 | 0 | 112.1 | Y1036 S1037 N1042 C1043 | Y1036-N1040 HydrophobicContact CE1-CB 4.24Å; Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.14Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.37Å; Y1036-N1040 PolarHBondContact O-N 2.92Å; Y1036-N1040 PolarHBondContact O-ND2 3.45Å; S1037-N1040 CarbonylContact O-C 3.57Å; S1037-N1040 PolarHBondContact O-N 3.36Å; N1040-N1042 PolarHBondContact O-N 3.13Å; N1040-C1043 HydrophobicContact CB-CB 4.31Å; N1040-C1043 VanDerWaalsContact O-CB 3.28Å; N1040-C1043 WeakPolarHBondContact O-CB 3.19Å; N1040-C1043 PolarHBondContact O-N 3.19Å | ||
| 1041 | P | 80.7 | Confident | 87.2 | Confident | 105 Ų | 105 | 73.6 Ų | 73.6 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15.5 | -170.7 | 26 | -36.3 | 0 | 0 | 0 | 115 | Q1039 | Q1039-P1041 VanDerWaalsContact O-CD 3.22Å; Q1039-P1041 WeakPolarHBondContact O-CD 3.39Å |
| 1042 | N | 82.6 | Confident | 87.4 | Confident | 162 Ų | 162 | 69.4 Ų | 69.4 | 87% | 0.866 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 11.5 | 177.8 | -66.4 | -32.1 | 0 | 0 | 0 | 113.5 | N1040 S1044 | N1040-N1042 PolarHBondContact O-N 3.13Å; N1042-S1044 PolarHBondContact O-N 2.98Å |
| 1043 | C | 82.4 | Confident | 87.3 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | trans | -54.6 | 126.6 | -178.4 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | N1040 F1045 A1046 | N1040-C1043 HydrophobicContact CB-CB 4.31Å; N1040-C1043 VanDerWaalsContact O-CB 3.28Å; N1040-C1043 WeakPolarHBondContact O-CB 3.19Å; N1040-C1043 PolarHBondContact O-N 3.19Å; C1043-F1045 PolarHBondContact O-N 2.96Å; C1043-F1045 PolarHBondContact SG-N 3.18Å; C1043-A1046 WeakPolarHBondContact O-CB 3.45Å; C1043-A1046 PolarHBondContact O-N 3.32Å | ||
| 1044 | S | 86 | Confident | 87.3 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 66% | 0.657 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -32 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | N1042 A1046 | N1042-S1044 PolarHBondContact O-N 2.98Å; S1044-A1046 VanDerWaalsContact C-N 3.26Å; S1044-A1046 PolarHBondContact O-N 3.23Å |
| 1045 | F | 86.7 | Confident | 87.3 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 21 | -176.9 | -52.6 | -73.4 | 0 | 0 | 0 | 113.9 | I996 Q997 L1000 C1043 G1047 E1048 I1049 | I996-F1045 HydrophobicContact CG2-CD2 3.43Å; I996-F1045 VanDerWaalsContact CG2-CD2 3.43Å; I996-F1045 HydrophobicContact CG2-CE2 3.68Å; I996-F1045 HydrophobicContact CG2-CG 4.4Å; Q997-F1045 HydrophobicContact CB-CD1 4.45Å; Q997-F1045 HydrophobicContact CB-CE1 3.87Å; Q997-F1045 HydrophobicContact CB-CE2 4.14Å; Q997-F1045 HydrophobicContact CB-CZ 3.69Å; Q997-F1045 HydrophobicContact CG-CD1 4.25Å; Q997-F1045 HydrophobicContact CG-CE1 3.6Å; Q997-F1045 HydrophobicContact CG-CZ 3.89Å; L1000-F1045 HydrophobicContact CD1-CB 3.78Å; C1043-F1045 PolarHBondContact O-N 2.96Å; C1043-F1045 PolarHBondContact SG-N 3.18Å; F1045-G1047 PolarHBondContact O-N 3.49Å; F1045-G1047 VanDerWaalsContact O-N 3.14Å; F1045-E1048 VanDerWaalsContact CA-OE2 3.25Å; F1045-E1048 WeakPolarHBondContact CA-OE2 3.35Å; F1045-E1048 PolarHBondContact O-N 3.1Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.49Å; F1045-I1049 PolarHBondContact O-N 3.21Å |
| 1046 | A | 85.9 | Confident | 87.3 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -14.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1043 S1044 R1050 | C1043-A1046 WeakPolarHBondContact O-CB 3.45Å; C1043-A1046 PolarHBondContact O-N 3.32Å; S1044-A1046 VanDerWaalsContact C-N 3.26Å; S1044-A1046 PolarHBondContact O-N 3.23Å; A1046-R1050 VanDerWaalsContact O-CD 3.24Å; A1046-R1050 WeakPolarHBondContact O-CD 3.34Å; A1046-R1050 WeakPolarHBondContact O-CG 3.26Å; A1046-R1050 PolarHBondContact O-NE 2.65Å |
| 1047 | G | 87 | Confident | 87.3 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.8 | -50.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1045 I1049 R1050 I1051 | F1045-G1047 PolarHBondContact O-N 3.49Å; F1045-G1047 VanDerWaalsContact O-N 3.14Å; G1047-I1049 PolarHBondContact O-N 3.13Å; G1047-R1050 WeakPolarHBondContact O-CB 3.48Å; G1047-R1050 PolarHBondContact O-N 3.14Å; G1047-R1050 VanDerWaalsContact O-N 3.09Å; G1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; G1047-I1051 PolarHBondContact O-N 2.83Å |
| 1048 | E | 89.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 179 | -66.8 | 79.4 | 176 | 0 | 0 | 111.2 | L1000 F1045 R1050 I1051 I1052 | L1000-E1048 HydrophobicContact CD1-CB 4.13Å; F1045-E1048 VanDerWaalsContact CA-OE2 3.25Å; F1045-E1048 WeakPolarHBondContact CA-OE2 3.35Å; F1045-E1048 PolarHBondContact O-N 3.1Å; E1048-R1050 VanDerWaalsContact C-N 3.28Å; E1048-R1050 PolarHBondContact O-N 2.59Å; E1048-I1051 PolarHBondContact O-N 3.22Å; E1048-I1051 VanDerWaalsContact O-N 3.13Å; E1048-I1052 PolarHBondContact O-N 2.87Å |
| 1049 | I | 90.2 | Very high | 87.2 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 173.6 | -67.7 | 169.2 | 0 | 0 | 0 | 111.3 | L1000 L1033 Y1036 F1045 G1047 N1053 | L1000-I1049 HydrophobicContact CD1-CD1 4.44Å; L1000-I1049 HydrophobicContact CD1-CG1 3.8Å; L1000-I1049 HydrophobicContact CD2-CG1 3.84Å; L1033-I1049 HydrophobicContact CB-CG2 4.2Å; L1033-I1049 HydrophobicContact CD2-CG1 4.47Å; Y1036-I1049 HydrophobicContact CD1-CD1 4.17Å; Y1036-I1049 HydrophobicContact CE1-CD1 4.34Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.49Å; F1045-I1049 PolarHBondContact O-N 3.21Å; G1047-I1049 PolarHBondContact O-N 3.13Å; I1049-N1053 VanDerWaalsContact O-CB 3.31Å; I1049-N1053 WeakPolarHBondContact O-CB 3.41Å; I1049-N1053 VanDerWaalsContact O-CG 3.3Å; I1049-N1053 PolarHBondContact O-N 2.86Å; I1049-N1053 PolarHBondContact O-ND2 2.89Å |
| 1050 | R | 88.3 | Confident | 87.2 | Confident | 178 Ų | 178 | 61.8 Ų | 61.8 | 67% | 0.672 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.5 | -37.1 | 175.7 | -70.7 | 167.1 | -170 | -174.9 | 4.6 | 112.3 | A1046 G1047 E1048 L1054 | A1046-R1050 VanDerWaalsContact O-CD 3.24Å; A1046-R1050 WeakPolarHBondContact O-CD 3.34Å; A1046-R1050 WeakPolarHBondContact O-CG 3.26Å; A1046-R1050 PolarHBondContact O-NE 2.65Å; G1047-R1050 WeakPolarHBondContact O-CB 3.48Å; G1047-R1050 PolarHBondContact O-N 3.14Å; G1047-R1050 VanDerWaalsContact O-N 3.09Å; E1048-R1050 VanDerWaalsContact C-N 3.28Å; E1048-R1050 PolarHBondContact O-N 2.59Å; R1050-L1054 WeakPolarHBondContact O-CG 3.3Å; R1050-L1054 PolarHBondContact O-N 3.43Å |
| 1051 | I | 91.1 | Very high | 87.1 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 46% | 0.456 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 176.6 | -66.6 | 166.6 | 0 | 0 | 0 | 110.2 | L1004 G1047 E1048 N1053 L1054 V1055 | L1004-I1051 HydrophobicContact CD1-CG2 4.05Å; L1004-I1051 HydrophobicContact CD2-CG2 4.26Å; G1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; G1047-I1051 PolarHBondContact O-N 2.83Å; E1048-I1051 PolarHBondContact O-N 3.22Å; E1048-I1051 VanDerWaalsContact O-N 3.13Å; I1051-N1053 PolarHBondContact O-N 3.4Å; I1051-L1054 WeakPolarHBondContact O-CB 3.43Å; I1051-L1054 PolarHBondContact O-N 3.14Å; I1051-L1054 VanDerWaalsContact O-N 3.09Å; I1051-V1055 PolarHBondContact O-N 3.41Å |
| 1052 | I | 91.7 | Very high | 87.1 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.5 | -68.3 | 160.5 | 0 | 0 | 0 | 111 | L1000 L1004 L1007 V1029 L1033 E1048 L1054 V1055 A1056 | L1000-I1052 HydrophobicContact CB-CD1 3.71Å; L1000-I1052 HydrophobicContact CD2-CD1 3.53Å; L1000-I1052 HydrophobicContact CG-CD1 4.17Å; L1000-I1052 WeakPolarHBondContact O-CD1 3.5Å; L1004-I1052 HydrophobicContact CB-CD1 4.12Å; L1004-I1052 HydrophobicContact CB-CG1 3.78Å; L1004-I1052 HydrophobicContact CD1-CG1 3.88Å; L1004-I1052 HydrophobicContact CG-CG1 4.3Å; L1007-I1052 HydrophobicContact CD1-CG2 3.73Å; V1029-I1052 HydrophobicContact CG1-CG2 3.99Å; L1033-I1052 HydrophobicContact CD1-CB 4.09Å; L1033-I1052 HydrophobicContact CD1-CG2 3.55Å; E1048-I1052 PolarHBondContact O-N 2.87Å; I1052-L1054 PolarHBondContact O-N 3.44Å; I1052-V1055 PolarHBondContact O-N 3.2Å; I1052-A1056 VanDerWaalsContact O-CB 3.31Å; I1052-A1056 WeakPolarHBondContact O-CB 3.46Å; I1052-A1056 PolarHBondContact O-N 2.83Å |
| 1053 | N | 89.4 | Confident | 86.1 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -29 | 173.6 | -79.3 | -38.9 | 0 | 0 | 0 | 113.2 | M1030 I1049 I1051 K1057 | M1030-N1053 WeakPolarHBondContact CA-OD1 3.36Å; M1030-N1053 WeakPolarHBondContact CG-OD1 3.47Å; I1049-N1053 VanDerWaalsContact O-CB 3.31Å; I1049-N1053 WeakPolarHBondContact O-CB 3.41Å; I1049-N1053 VanDerWaalsContact O-CG 3.3Å; I1049-N1053 PolarHBondContact O-N 2.86Å; I1049-N1053 PolarHBondContact O-ND2 2.89Å; I1051-N1053 PolarHBondContact O-N 3.4Å; N1053-K1057 WeakPolarHBondContact O-CB 3.39Å; N1053-K1057 PolarHBondContact O-N 3.32Å |
| 1054 | L | 89.4 | Confident | 84.7 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.1 | -42.3 | 172.9 | -76 | 166.2 | 0 | 0 | 0 | 112.2 | R1050 I1051 I1052 K1057 A1058 | R1050-L1054 WeakPolarHBondContact O-CG 3.3Å; R1050-L1054 PolarHBondContact O-N 3.43Å; I1051-L1054 WeakPolarHBondContact O-CB 3.43Å; I1051-L1054 PolarHBondContact O-N 3.14Å; I1051-L1054 VanDerWaalsContact O-N 3.09Å; I1052-L1054 PolarHBondContact O-N 3.44Å; L1054-K1057 PolarHBondContact O-N 2.87Å; L1054-A1058 PolarHBondContact O-N 2.91Å |
| 1055 | V | 89.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 70 Ų | 70 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.9 | -49.2 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | L1004 L1007 I1051 I1052 K1057 A1058 I1059 | L1004-V1055 HydrophobicContact CD1-CG2 3.97Å; L1007-V1055 HydrophobicContact CB-CG1 4.04Å; I1051-V1055 PolarHBondContact O-N 3.41Å; I1052-V1055 PolarHBondContact O-N 3.2Å; V1055-K1057 VanDerWaalsContact C-N 3.28Å; V1055-K1057 PolarHBondContact O-N 3.07Å; V1055-A1058 WeakPolarHBondContact O-CA 3.43Å; V1055-A1058 WeakPolarHBondContact O-CB 3.47Å; V1055-A1058 PolarHBondContact O-N 3.24Å; V1055-I1059 HydrophobicContact CG1-CD1 4.27Å; V1055-I1059 PolarHBondContact O-N 2.94Å |
| 1056 | A | 88.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1007 A1026 M1030 I1052 A1058 I1059 A1060 | L1007-A1056 HydrophobicContact CD1-CB 4.44Å; A1026-A1056 HydrophobicContact CB-CB 4.01Å; A1026-A1056 WeakPolarHBondContact CB-O 3.33Å; M1030-A1056 HydrophobicContact CG-CB 3.79Å; M1030-A1056 HydrophobicContact SD-CB 4.33Å; I1052-A1056 VanDerWaalsContact O-CB 3.31Å; I1052-A1056 WeakPolarHBondContact O-CB 3.46Å; I1052-A1056 PolarHBondContact O-N 2.83Å; A1056-A1058 VanDerWaalsContact C-N 3.34Å; A1056-A1058 PolarHBondContact O-N 2.93Å; A1056-I1059 PolarHBondContact O-N 3.43Å; A1056-A1060 VanDerWaalsContact O-CB 3.3Å; A1056-A1060 WeakPolarHBondContact O-CB 3.39Å; A1056-A1060 PolarHBondContact O-N 3.3Å |
| 1057 | K | 87.7 | Confident | 82.4 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 52% | 0.522 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.1 | -28.5 | 174.4 | -172.1 | 164.6 | -176.1 | 173 | 0 | 113.4 | M1030 N1053 L1054 V1055 N1061 | M1030-K1057 HydrophobicContact SD-CB 3.76Å; M1030-K1057 HydrophobicContact SD-CG 4.44Å; N1053-K1057 WeakPolarHBondContact O-CB 3.39Å; N1053-K1057 PolarHBondContact O-N 3.32Å; L1054-K1057 PolarHBondContact O-N 2.87Å; V1055-K1057 VanDerWaalsContact C-N 3.28Å; V1055-K1057 PolarHBondContact O-N 3.07Å; K1057-N1061 WeakPolarHBondContact CG-ND2 3.33Å; K1057-N1061 WeakPolarHBondContact O-CB 3.3Å; K1057-N1061 PolarHBondContact O-N 3.31Å; K1057-N1061 PolarHBondContact O-ND2 3.44Å |
| 1058 | A | 86.9 | Confident | 82.1 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1054 V1055 A1056 N1061 K1062 | L1054-A1058 PolarHBondContact O-N 2.91Å; V1055-A1058 WeakPolarHBondContact O-CA 3.43Å; V1055-A1058 WeakPolarHBondContact O-CB 3.47Å; V1055-A1058 PolarHBondContact O-N 3.24Å; A1056-A1058 VanDerWaalsContact C-N 3.34Å; A1056-A1058 PolarHBondContact O-N 2.93Å; A1058-N1061 PolarHBondContact O-N 3.31Å; A1058-K1062 PolarHBondContact O-N 2.96Å |
| 1059 | I | 85.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.6 | -51.9 | 175 | -61.2 | 164.5 | 0 | 0 | 0 | 110.3 | L1007 D1011 A1022 I1023 A1026 V1055 A1056 N1061 K1062 | L1007-I1059 HydrophobicContact CB-CD1 4.29Å; L1007-I1059 HydrophobicContact CD2-CD1 3.91Å; L1007-I1059 WeakPolarHBondContact O-CD1 3.2Å; D1011-I1059 HydrophobicContact CB-CD1 4.09Å; D1011-I1059 HydrophobicContact CB-CG1 3.86Å; D1011-I1059 WeakPolarHBondContact OD1-CG1 3.31Å; A1022-I1059 HydrophobicContact CB-CG2 3.93Å; A1022-I1059 WeakPolarHBondContact O-CG2 3.41Å; I1023-I1059 WeakPolarHBondContact CG1-O 2.94Å; A1026-I1059 HydrophobicContact CB-CB 4.06Å; A1026-I1059 HydrophobicContact CB-CG2 4.04Å; V1055-I1059 HydrophobicContact CG1-CD1 4.27Å; V1055-I1059 PolarHBondContact O-N 2.94Å; A1056-I1059 PolarHBondContact O-N 3.43Å; I1059-N1061 PolarHBondContact O-N 3.41Å; I1059-N1061 VanDerWaalsContact O-N 3.14Å; I1059-K1062 VanDerWaalsContact O-CB 3.3Å; I1059-K1062 WeakPolarHBondContact O-CB 3.3Å; I1059-K1062 PolarHBondContact O-N 3.46Å |
| 1060 | A | 85.3 | Confident | 81.2 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.2 | -13.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1026 I1027 M1030 A1056 | A1026-A1060 HydrophobicContact CB-CB 4.34Å; I1027-A1060 HydrophobicContact CD1-CB 4.5Å; I1027-A1060 HydrophobicContact CG1-CB 3.92Å; M1030-A1060 HydrophobicContact CE-CB 3.77Å; A1056-A1060 VanDerWaalsContact O-CB 3.3Å; A1056-A1060 WeakPolarHBondContact O-CB 3.39Å; A1056-A1060 PolarHBondContact O-N 3.3Å |
| 1061 | N | 84.3 | Confident | 80.7 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -7 | 172.6 | -80.6 | -58.4 | 0 | 0 | 0 | 113.5 | K1057 A1058 I1059 K1063 | K1057-N1061 WeakPolarHBondContact CG-ND2 3.33Å; K1057-N1061 WeakPolarHBondContact O-CB 3.3Å; K1057-N1061 PolarHBondContact O-N 3.31Å; K1057-N1061 PolarHBondContact O-ND2 3.44Å; A1058-N1061 PolarHBondContact O-N 3.31Å; I1059-N1061 PolarHBondContact O-N 3.41Å; I1059-N1061 VanDerWaalsContact O-N 3.14Å; N1061-K1063 PolarHBondContact O-N 2.65Å |
| 1062 | K | 81.2 | Confident | 80 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 136.5 | 168.2 | -69 | 178 | 169.3 | 170.9 | 0 | 108.4 | D1011 L1019 I1023 A1058 I1059 | D1011-K1062 PolarHBondContact O-NZ 3.38Å; D1011-K1062 WeakPolarHBondContact OD1-CE 3.28Å; D1011-K1062 IonicContact OD1-NZ 2.75Å; D1011-K1062 PolarHBondContact OD1-NZ 3.15Å; L1019-K1062 HydrophobicContact CD1-CB 3.84Å; L1019-K1062 HydrophobicContact CD1-CD 3.63Å; L1019-K1062 HydrophobicContact CD1-CG 4.38Å; I1023-K1062 VanDerWaalsContact CD1-O 3.25Å; I1023-K1062 WeakPolarHBondContact CD1-O 3.4Å; A1058-K1062 PolarHBondContact O-N 2.96Å; I1059-K1062 VanDerWaalsContact O-CB 3.3Å; I1059-K1062 WeakPolarHBondContact O-CB 3.3Å; I1059-K1062 PolarHBondContact O-N 3.46Å |
| 1063 | K | 61.2 | Low | 79.1 | Confident | 185 Ų | 185 | 76.5 Ų | 76.5 | 80% | 0.804 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 140.7 | 173.1 | -65.8 | -175.6 | 176.7 | -175.7 | 0 | 108.7 | N1061 | N1061-K1063 PolarHBondContact O-N 2.65Š|
| 1064 | S | 53.3 | Low | 78.2 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 61% | 0.608 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 139 | 155.4 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1065 | P | 45.6 | Very low | 77.2 | Confident | 146 Ų | 146 | 75.5 Ų | 75.5 | 95% | 0.948 | 42% | 0.42 | S | S | * | . | trans | -63.5 | 0 | 166.3 | 29.7 | -34.8 | 0 | 0 | 0 | 112.1 |
Retrieved 1,065 of 1,065 residues in 1839.6 ms
(Link to these results)