| 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 | 27.6 | Very low | 60.8 | Low | 250 Ų | 250 | 100.9 Ų | 100.9 | 100% | 1.232 | 57% | 0.568 | S | S | * | * | 0 | 129.2 | 0 | -66.4 | 168 | 176.8 | 0 | 0 | 106.8 | |||||
| 2 | A | 28.8 | Very low | 63.8 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | trans | -103.4 | 144 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S4 | A2-S4 PolarHBondContact O-N 2.6Å; A2-S4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | D | 35.1 | Very low | 66.4 | Low | 135 Ų | 135 | 85.8 Ų | 85.8 | 72% | 0.722 | 48% | 0.483 | S | S | * | . | trans | -70.3 | 108.6 | -179.9 | -74.4 | -59.3 | 0 | 0 | 0 | 110.8 | N5 A6 | D3-N5 PolarHBondContact O-N 3.15Å; D3-A6 WeakPolarHBondContact O-CB 3.38Å; D3-A6 PolarHBondContact O-N 2.98Å | ||
| 4 | S | 38.4 | Very low | 68.6 | Low | 115 Ų | 115 | 79.6 Ų | 79.6 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -8.3 | 173.9 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | A2 | A2-S4 PolarHBondContact O-N 2.6Å; A2-S4 VanDerWaalsContact O-N 3.16Å |
| 5 | N | 46.4 | Very low | 70.6 | Confident | 154 Ų | 154 | 75.5 Ų | 75.5 | 82% | 0.824 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -3.2 | 173.7 | -69.8 | -21.8 | 0 | 0 | 0 | 113.9 | D3 | D3-N5 PolarHBondContact O-N 3.15Š|
| 6 | A | 60.3 | Low | 72.3 | Confident | 23 Ų | 23 | 70.9 Ų | 70.9 | 19% | 0.19 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -83.3 | -26.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D3 T330 V331 | D3-A6 WeakPolarHBondContact O-CB 3.38Å; D3-A6 PolarHBondContact O-N 2.98Å; A6-T330 HydrophobicContact CB-CG2 4.22Å; A6-T330 CarbonylContact O-C 3.51Å; A6-T330 WeakPolarHBondContact O-CA 3.29Å; A6-V331 PolarHBondContact O-N 3.28Å |
| 7 | E | 73.9 | Confident | 73.7 | Confident | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.7 | 176.4 | -73.2 | -173.8 | -159.1 | 0 | 0 | 111.4 | R328 N329 | E7-R328 WeakPolarHBondContact OE2-CD 3.4Å; E7-R328 IonicContact OE2-CZ 3.48Å; E7-R328 IonicContact OE2-NE 3.37Å; E7-R328 IonicContact OE2-NH1 2.66Å; E7-R328 PolarHBondContact OE2-NH1 2.87Å; E7-N329 WeakPolarHBondContact CA-O 3.43Å |
| 8 | C | 83.1 | Confident | 74.9 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.6 | 166.7 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | N329 V331 | C8-N329 PolarHBondContact N-O 3.38Å; C8-N329 PolarHBondContact O-N 2.83Å; C8-V331 VanDerWaalsContact SG-CG2 3.51Å |
| 9 | N | 87.5 | Confident | 75.9 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 49% | 0.492 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 150.2 | 175.9 | -61.8 | -0.3 | 0 | 0 | 0 | 111.1 | K11 I327 | N9-K11 PolarHBondContact O-N 2.73Å; N9-I327 CarbonylContact C-O 3.58Å; N9-I327 VanDerWaalsContact CA-O 3.31Å; N9-I327 WeakPolarHBondContact CA-O 3.15Å |
| 10 | I | 93.1 | Very high | 76.7 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 122.1 | 167.9 | -62.1 | -171.7 | 0 | 0 | 0 | 109.2 | V12 L292 T298 I327 | I10-V12 HydrophobicContact CG2-CG2 4.42Å; I10-L292 HydrophobicContact CD1-CD2 3.67Å; I10-T298 HydrophobicContact CD1-CG2 4.18Å; I10-T298 HydrophobicContact CG1-CG2 4.38Å; I10-T298 HydrophobicContact CG2-CG2 3.93Å; I10-I327 HydrophobicContact CD1-CB 3.8Å; I10-I327 HydrophobicContact CD1-CD1 4.25Å; I10-I327 HydrophobicContact CD1-CG2 3.63Å; I10-I327 HydrophobicContact CG1-CB 4.08Å; I10-I327 HydrophobicContact CG1-CG2 4.07Å; I10-I327 PolarHBondContact N-O 2.78Å |
| 11 | K | 94.7 | Very high | 77.4 | Confident | 99 Ų | 99 | 70 Ų | 70 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.4 | 174 | -70.2 | -173.2 | 175.3 | -173.4 | 0 | 110.2 | N9 L13 D50 T298 T299 M300 | N9-K11 PolarHBondContact O-N 2.73Å; K11-L13 HydrophobicContact CB-CD1 4.25Å; K11-D50 WeakPolarHBondContact CA-OD2 3.4Å; K11-T298 PolarHBondContact N-O 2.81Å; K11-T298 VanDerWaalsContact N-O 3.15Å; K11-T299 CarbonylContact O-C 3.57Å; K11-T299 WeakPolarHBondContact O-CA 3.45Å; K11-M300 PolarHBondContact O-N 3.29Å |
| 12 | V | 96.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.7 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I10 Y49 D50 M300 I302 A324 K325 | I10-V12 HydrophobicContact CG2-CG2 4.42Å; V12-Y49 HydrophobicContact CB-CD1 4.22Å; V12-Y49 HydrophobicContact CG1-CD1 3.69Å; V12-Y49 HydrophobicContact CG1-CE1 4.14Å; V12-Y49 WeakPolarHBondContact O-CB 3.2Å; V12-D50 PolarHBondContact N-OD2 3.44Å; V12-D50 WeakPolarHBondContact O-CB 3.45Å; V12-D50 PolarHBondContact O-N 2.97Å; V12-M300 WeakPolarHBondContact CA-O 3.46Å; V12-M300 HydrophobicContact CG2-CB 4.41Å; V12-I302 HydrophobicContact CG1-CD1 4.01Å; V12-I302 HydrophobicContact CG1-CG1 4.29Å; V12-I302 HydrophobicContact CG1-CG2 4.11Å; V12-A324 HydrophobicContact CG2-CB 3.94Å; V12-K325 HydrophobicContact CB-CB 4.23Å; V12-K325 HydrophobicContact CG2-CB 3.76Å |
| 13 | L | 97.3 | Very high | 83.4 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.1 | 178.4 | -59.7 | 88.2 | 0 | 0 | 0 | 109.1 | K11 Q51 F53 A65 C66 T299 M300 F301 I302 | K11-L13 HydrophobicContact CB-CD1 4.25Å; L13-Q51 CarbonylContact C-O 3.59Å; L13-Q51 WeakPolarHBondContact CA-O 3.38Å; L13-Q51 HydrophobicContact CD2-CB 3.94Å; L13-Q51 HydrophobicContact CG-CB 4.26Å; L13-F53 HydrophobicContact CB-CD2 4.48Å; L13-F53 HydrophobicContact CB-CE2 3.82Å; L13-F53 HydrophobicContact CD2-CE2 3.56Å; L13-F53 HydrophobicContact CD2-CZ 3.61Å; L13-F53 HydrophobicContact CG-CE2 4.32Å; L13-A65 HydrophobicContact CD2-CB 4.36Å; L13-C66 HydrophobicContact CD1-CB 4.23Å; L13-C66 HydrophobicContact CD2-CB 4.19Å; L13-T299 HydrophobicContact CD1-CG2 3.46Å; L13-T299 VanDerWaalsContact CD1-CG2 3.46Å; L13-M300 PolarHBondContact N-O 3.45Å; L13-F301 HydrophobicContact CB-CD1 4.2Å; L13-F301 HydrophobicContact CB-CE1 4.16Å; L13-F301 CarbonylContact O-C 3.53Å; L13-F301 WeakPolarHBondContact O-CA 3.16Å; L13-I302 PolarHBondContact O-N 2.83Å |
| 14 | C | 98 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.3 | 177 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | F16 Y49 Q51 V52 F53 I302 | C14-F16 WeakPolarHBondContact SG-CE2 3.33Å; C14-Y49 HydrophobicContact CB-CD2 3.85Å; C14-Y49 HydrophobicContact CB-CE2 4.2Å; C14-Y49 HydrophobicContact CB-CG 4.23Å; C14-Q51 PolarHBondContact N-O 3.04Å; C14-V52 HydrophobicContact CB-CG2 4.09Å; C14-V52 WeakPolarHBondContact O-CA 3.34Å; C14-F53 WeakPolarHBondContact O-CD2 3.4Å; C14-F53 PolarHBondContact O-N 2.82Å; C14-I302 WeakPolarHBondContact CA-O 3.32Å; C14-I302 HydrophobicContact CB-CD1 4.06Å; C14-I302 HydrophobicContact CB-CG1 3.76Å |
| 15 | R | 97.8 | Very high | 88.9 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119 | 175.6 | -170.1 | -179.6 | -167.7 | -176.7 | 10.5 | 111.1 | F53 T57 Q59 T95 I302 C303 C304 | R15-F53 HydrophobicContact CB-CB 4.37Å; R15-F53 HydrophobicContact CB-CD2 4.3Å; R15-F53 HydrophobicContact CG-CB 4.09Å; R15-T57 PolarHBondContact NH2-O 3.1Å; R15-Q59 VanDerWaalsContact CZ-OE1 3.28Å; R15-T95 WeakPolarHBondContact CD-OG1 3.22Å; R15-T95 PolarHBondContact NH1-OG1 3.21Å; R15-I302 PolarHBondContact N-O 2.92Å; R15-C303 WeakPolarHBondContact O-CA 3.34Å; R15-C304 PolarHBondContact O-N 3.2Å |
| 16 | F | 97.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.2 | 168.1 | -74.2 | -96 | 0 | 0 | 0 | 109.9 | C14 P32 F34 V40 F42 F53 T55 C304 P306 T314 | C14-F16 WeakPolarHBondContact SG-CE2 3.33Å; F16-P32 HydrophobicContact CD1-CB 4.1Å; F16-P32 HydrophobicContact CD1-CG 3.81Å; F16-P32 HydrophobicContact CE1-CB 3.74Å; F16-P32 HydrophobicContact CE1-CG 3.86Å; F16-P32 HydrophobicContact CE2-CB 4.45Å; F16-P32 HydrophobicContact CG-CG 4.42Å; F16-P32 HydrophobicContact CZ-CB 3.93Å; F16-F34 HydrophobicContact CB-CE1 4.45Å; F16-F34 HydrophobicContact CB-CZ 4.02Å; F16-F34 AromaticContact CD2-CE1 3.58Å; F16-F34 HydrophobicContact CD2-CE1 3.58Å; F16-F34 AromaticContact CD2-CZ 3.94Å; F16-F34 HydrophobicContact CD2-CZ 3.94Å; F16-F34 HydrophobicContact CE2-CE1 4.03Å; F16-F34 HydrophobicContact CG-CE1 4.11Å; F16-F34 AromaticContact CG-CZ 3.97Å; F16-F34 HydrophobicContact CG-CZ 3.97Å; F16-V40 HydrophobicContact CE2-CB 4.37Å; F16-V40 HydrophobicContact CE2-CG1 4.19Å; F16-V40 HydrophobicContact CE2-CG2 3.94Å; F16-V40 HydrophobicContact CZ-CG2 4.07Å; F16-F42 HydrophobicContact CE1-CD2 4.22Å; F16-F42 AromaticContact CE1-CE2 3.98Å; F16-F42 HydrophobicContact CE1-CE2 3.98Å; F16-F42 HydrophobicContact CZ-CD2 4.19Å; F16-F42 HydrophobicContact CZ-CE2 4.39Å; F16-F53 PolarHBondContact N-O 3.29Å; F16-T55 HydrophobicContact CB-CG2 3.98Å; F16-T55 WeakPolarHBondContact O-CA 3.39Å; F16-C304 HydrophobicContact CD1-CB 3.62Å; F16-C304 HydrophobicContact CD2-CB 4.31Å; F16-C304 HydrophobicContact CE1-CB 3.46Å; F16-C304 VanDerWaalsContact CE1-CB 3.46Å; F16-C304 HydrophobicContact CE2-CB 4.18Å; F16-C304 HydrophobicContact CG-CB 4.06Å; F16-C304 HydrophobicContact CZ-CB 3.77Å; F16-P306 HydrophobicContact CD1-CB 4.24Å; F16-T314 HydrophobicContact CE1-CG2 3.94Å; F16-T314 HydrophobicContact CZ-CG2 4.17Å |
| 17 | R | 96.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 161.6 | 167.4 | 63.4 | 154.2 | 175.5 | 76 | -1.8 | 111.2 | N20 E23 T55 S89 S90 C304 S305 P306 | R17-N20 PolarHBondContact NH2-ND2 3.21Å; R17-E23 IonicContact CZ-OE1 2.82Å; R17-E23 IonicContact CZ-OE2 3.09Å; R17-E23 IonicContact NH1-OE1 2.7Å; R17-E23 PolarHBondContact NH1-OE1 3.26Å; R17-E23 IonicContact NH1-OE2 3.4Å; R17-E23 PolarHBondContact NH1-OE2 3.3Å; R17-E23 IonicContact NH2-OE1 2.71Å; R17-E23 PolarHBondContact NH2-OE1 3.48Å; R17-E23 IonicContact NH2-OE2 3.7Å; R17-E23 PolarHBondContact NH2-OE2 2.82Å; R17-T55 VanDerWaalsContact C-CG2 3.48Å; R17-T55 WeakPolarHBondContact O-CG2 3.34Å; R17-S89 VanDerWaalsContact CZ-O 3.25Å; R17-S89 PolarHBondContact NE-O 3.42Å; R17-S89 PolarHBondContact NH2-O 3.21Å; R17-S90 WeakPolarHBondContact CG-O 3.17Å; R17-C304 PolarHBondContact N-O 3.47Å; R17-S305 PolarHBondContact NH2-OG 2.69Å; R17-P306 WeakPolarHBondContact O-CD 3.42Å; R17-P306 VanDerWaalsContact O-CG 3.24Å; R17-P306 WeakPolarHBondContact O-CG 3.5Å |
| 18 | P | 96.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 158.6 | 164.5 | -24.7 | 34.1 | 0 | 0 | 0 | 112.9 | T55 | P18-T55 WeakPolarHBondContact CG-O 3.47Š|
| 19 | L | 94.2 | Very high | 94.1 | Very high | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -59 | 139.1 | 164.7 | -71.5 | 168.7 | 0 | 0 | 0 | 109.7 | E23 I24 F30 P306 | L19-E23 WeakPolarHBondContact CA-OE2 3.3Å; L19-E23 HydrophobicContact CD2-CB 4.15Å; L19-I24 HydrophobicContact CB-CD1 4.19Å; L19-I24 HydrophobicContact CB-CG1 3.87Å; L19-F30 HydrophobicContact CD1-CB 4.25Å; L19-F30 HydrophobicContact CD1-CD2 4.27Å; L19-F30 HydrophobicContact CG-CD2 4.29Å; L19-P306 HydrophobicContact CD2-CG 3.85Å; L19-P306 HydrophobicContact CG-CG 3.94Å |
| 20 | N | 91.5 | Very high | 94.5 | Very high | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 165.3 | 176.5 | 75.6 | 50.1 | 0 | 0 | 0 | 111.6 | R17 S22 E23 I24 | R17-N20 PolarHBondContact NH2-ND2 3.21Å; N20-S22 VanDerWaalsContact C-N 3.26Å; N20-S22 PolarHBondContact O-N 3.27Å; N20-S22 WeakPolarHBondContact OD1-CA 3.28Å; N20-S22 WeakPolarHBondContact OD1-CB 3.23Å; N20-S22 PolarHBondContact OD1-N 2.87Å; N20-E23 PolarHBondContact N-OE2 3.28Å; N20-E23 VanDerWaalsContact ND2-CD 3.27Å; N20-E23 PolarHBondContact ND2-OE2 2.82Å; N20-E23 PolarHBondContact O-N 2.91Å; N20-E23 VanDerWaalsContact O-N 3.14Å; N20-E23 PolarHBondContact OD1-N 3.28Å; N20-I24 WeakPolarHBondContact O-CG1 3.46Å; N20-I24 PolarHBondContact O-N 2.9Å |
| 21 | Q | 90.6 | Very high | 94.6 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.5 | -35.8 | -174.3 | -163.3 | 65.1 | 19.9 | 0 | 0 | 113.2 | I24 I25 | Q21-I24 PolarHBondContact O-N 3.27Å; Q21-I25 HydrophobicContact CG-CD1 3.93Å; Q21-I25 WeakPolarHBondContact O-CB 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.43Å; Q21-I25 VanDerWaalsContact O-CG1 3.22Å; Q21-I25 WeakPolarHBondContact O-CG1 3.41Å; Q21-I25 PolarHBondContact O-N 3.34Å |
| 22 | S | 89.6 | Confident | 94.7 | Very high | 85 Ų | 85 | 55.9 Ų | 55.9 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72 | -37.9 | 178.8 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | N20 R26 | N20-S22 VanDerWaalsContact C-N 3.26Å; N20-S22 PolarHBondContact O-N 3.27Å; N20-S22 WeakPolarHBondContact OD1-CA 3.28Å; N20-S22 WeakPolarHBondContact OD1-CB 3.23Å; N20-S22 PolarHBondContact OD1-N 2.87Å; S22-R26 VanDerWaalsContact O-CB 3.31Å; S22-R26 WeakPolarHBondContact O-CB 3.18Å; S22-R26 PolarHBondContact O-N 2.95Å |
| 23 | E | 93.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.019 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 172.5 | -67.1 | 169.7 | 156.2 | 0 | 0 | 110.7 | R17 L19 N20 R26 G27 D28 S305 N310 | R17-E23 IonicContact CZ-OE1 2.82Å; R17-E23 IonicContact CZ-OE2 3.09Å; R17-E23 IonicContact NH1-OE1 2.7Å; R17-E23 PolarHBondContact NH1-OE1 3.26Å; R17-E23 IonicContact NH1-OE2 3.4Å; R17-E23 PolarHBondContact NH1-OE2 3.3Å; R17-E23 IonicContact NH2-OE1 2.71Å; R17-E23 PolarHBondContact NH2-OE1 3.48Å; R17-E23 IonicContact NH2-OE2 3.7Å; R17-E23 PolarHBondContact NH2-OE2 2.82Å; L19-E23 WeakPolarHBondContact CA-OE2 3.3Å; L19-E23 HydrophobicContact CD2-CB 4.15Å; N20-E23 PolarHBondContact N-OE2 3.28Å; N20-E23 VanDerWaalsContact ND2-CD 3.27Å; N20-E23 PolarHBondContact ND2-OE2 2.82Å; N20-E23 PolarHBondContact O-N 2.91Å; N20-E23 VanDerWaalsContact O-N 3.14Å; N20-E23 PolarHBondContact OD1-N 3.28Å; E23-R26 PolarHBondContact O-N 2.84Å; E23-G27 PolarHBondContact O-N 2.93Å; E23-D28 WeakPolarHBondContact CA-OD2 3.48Å; E23-D28 HydrophobicContact CB-CB 4.09Å; E23-D28 WeakPolarHBondContact CB-OD2 3.27Å; E23-D28 VanDerWaalsContact CG-OD2 3.3Å; E23-D28 WeakPolarHBondContact CG-OD2 3.32Å; E23-D28 VanDerWaalsContact O-CB 3.27Å; E23-D28 WeakPolarHBondContact O-CB 3.42Å; E23-D28 PolarHBondContact O-N 2.86Å; E23-S305 PolarHBondContact OE1-OG 3.06Å; E23-N310 PolarHBondContact OE1-ND2 3.45Å |
| 24 | I | 93.4 | Very high | 94.6 | Very high | 89 Ų | 89 | 63.6 Ų | 63.6 | 46% | 0.456 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 176.7 | -65.7 | 165.4 | 0 | 0 | 0 | 111.2 | L19 N20 Q21 R26 G27 | L19-I24 HydrophobicContact CB-CD1 4.19Å; L19-I24 HydrophobicContact CB-CG1 3.87Å; N20-I24 WeakPolarHBondContact O-CG1 3.46Å; N20-I24 PolarHBondContact O-N 2.9Å; Q21-I24 PolarHBondContact O-N 3.27Å; I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 3.5Å; I24-G27 PolarHBondContact O-N 3.09Å |
| 25 | I | 94.4 | Very high | 94.4 | Very high | 132 Ų | 132 | 68.2 Ų | 68.2 | 68% | 0.677 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.9 | -33.7 | 178.5 | -72.5 | 167.3 | 0 | 0 | 0 | 111.7 | Q21 G27 | Q21-I25 HydrophobicContact CG-CD1 3.93Å; Q21-I25 WeakPolarHBondContact O-CB 3.31Å; Q21-I25 WeakPolarHBondContact O-CD1 3.43Å; Q21-I25 VanDerWaalsContact O-CG1 3.22Å; Q21-I25 WeakPolarHBondContact O-CG1 3.41Å; Q21-I25 PolarHBondContact O-N 3.34Å; I25-G27 PolarHBondContact O-N 3.23Å |
| 26 | R | 92.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 71 Ų | 71 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.6 | -13.5 | 174 | -175 | 166.5 | 59.4 | -151.2 | -8.4 | 113.5 | S22 E23 I24 D28 | S22-R26 VanDerWaalsContact O-CB 3.31Å; S22-R26 WeakPolarHBondContact O-CB 3.18Å; S22-R26 PolarHBondContact O-N 2.95Å; E23-R26 PolarHBondContact O-N 2.84Å; I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 3.5Å; R26-D28 WeakPolarHBondContact CG-OD1 3.3Å; R26-D28 IonicContact CZ-OD1 2.69Å; R26-D28 IonicContact CZ-OD2 2.68Å; R26-D28 IonicContact NE-OD1 2.68Å; R26-D28 PolarHBondContact NE-OD1 3.32Å; R26-D28 IonicContact NE-OD2 2.62Å; R26-D28 PolarHBondContact NE-OD2 3.32Å; R26-D28 IonicContact NH2-OD1 3.84Å; R26-D28 IonicContact NH2-OD2 2.65Å; R26-D28 PolarHBondContact NH2-OD2 3.47Å |
| 27 | G | 93.7 | Very high | 93.9 | Very high | 57 Ų | 57 | 77.7 Ų | 77.7 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 24.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E23 I24 I25 | E23-G27 PolarHBondContact O-N 2.93Å; I24-G27 PolarHBondContact O-N 3.09Å; I25-G27 PolarHBondContact O-N 3.23Å |
| 28 | D | 94.4 | Very high | 93.9 | Very high | 20 Ų | 20 | 79.2 Ų | 79.2 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.7 | 178 | -67.9 | -7.8 | 0 | 0 | 0 | 111.2 | E23 R26 S307 | E23-D28 WeakPolarHBondContact CA-OD2 3.48Å; E23-D28 HydrophobicContact CB-CB 4.09Å; E23-D28 WeakPolarHBondContact CB-OD2 3.27Å; E23-D28 VanDerWaalsContact CG-OD2 3.3Å; E23-D28 WeakPolarHBondContact CG-OD2 3.32Å; E23-D28 VanDerWaalsContact O-CB 3.27Å; E23-D28 WeakPolarHBondContact O-CB 3.42Å; E23-D28 PolarHBondContact O-N 2.86Å; R26-D28 WeakPolarHBondContact CG-OD1 3.3Å; R26-D28 IonicContact CZ-OD1 2.69Å; R26-D28 IonicContact CZ-OD2 2.68Å; R26-D28 IonicContact NE-OD1 2.68Å; R26-D28 PolarHBondContact NE-OD1 3.32Å; R26-D28 IonicContact NE-OD2 2.62Å; R26-D28 PolarHBondContact NE-OD2 3.32Å; R26-D28 IonicContact NH2-OD1 3.84Å; R26-D28 IonicContact NH2-OD2 2.65Å; R26-D28 PolarHBondContact NH2-OD2 3.47Å; D28-S307 WeakPolarHBondContact CB-OG 3.23Å; D28-S307 WeakPolarHBondContact OD2-CB 3.49Å; D28-S307 PolarHBondContact OD2-OG 3.14Å |
| 29 | K | 93.2 | Very high | 93.9 | Very high | 156 Ų | 156 | 76.4 Ų | 76.4 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 142.9 | 177.7 | -64.4 | -177.7 | -178.6 | 178.5 | 0 | 110.9 | I31 S308 | K29-I31 HydrophobicContact CB-CG2 4.44Å; K29-I31 PolarHBondContact O-N 3.22Å; K29-S308 PolarHBondContact N-OG 2.83Å; K29-S308 PolarHBondContact O-N 2.9Å |
| 30 | F | 95.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 74.5 Ų | 74.5 | 41% | 0.408 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -72.2 | 119.8 | 166.1 | -165.8 | -86.4 | 0 | 0 | 0 | 109.2 | L19 P32 F34 T55 P306 | L19-F30 HydrophobicContact CD1-CB 4.25Å; L19-F30 HydrophobicContact CD1-CD2 4.27Å; L19-F30 HydrophobicContact CG-CD2 4.29Å; F30-P32 HydrophobicContact CD1-CG 4.18Å; F30-P32 HydrophobicContact CE1-CG 3.64Å; F30-P32 WeakPolarHBondContact CE1-O 3.05Å; F30-P32 HydrophobicContact CE2-CG 4.47Å; F30-P32 HydrophobicContact CZ-CG 3.8Å; F30-F34 HydrophobicContact CE1-CE2 4.3Å; F30-F34 HydrophobicContact CZ-CE2 4.06Å; F30-T55 HydrophobicContact CE2-CG2 3.79Å; F30-T55 HydrophobicContact CZ-CG2 3.99Å; F30-P306 WeakPolarHBondContact CA-O 3.37Å; F30-P306 HydrophobicContact CD2-CB 3.62Å; F30-P306 HydrophobicContact CD2-CG 3.97Å; F30-P306 HydrophobicContact CE2-CB 3.5Å; F30-P306 HydrophobicContact CE2-CG 3.87Å; F30-P306 HydrophobicContact CG-CB 4.3Å; F30-P306 HydrophobicContact CZ-CB 4.11Å |
| 31 | I | 95.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 74.1 Ų | 74.1 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | trans | -117.2 | -15.1 | -175.3 | 51.3 | 161.9 | 0 | 0 | 0 | 118.8 | K29 F42 P306 D311 | K29-I31 HydrophobicContact CB-CG2 4.44Å; K29-I31 PolarHBondContact O-N 3.22Å; I31-F42 HydrophobicContact CD1-CE1 3.89Å; I31-F42 HydrophobicContact CD1-CE2 3.8Å; I31-F42 HydrophobicContact CD1-CZ 3.31Å; I31-F42 HydrophobicContact CG1-CE2 3.79Å; I31-F42 HydrophobicContact CG1-CZ 3.84Å; I31-P306 VanDerWaalsContact CG1-O 3.31Å; I31-P306 WeakPolarHBondContact CG1-O 3.42Å; I31-P306 PolarHBondContact N-O 3.34Å; I31-D311 HydrophobicContact CD1-CB 3.86Å | ||
| 32 | P | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.032 | 37% | 0.366 | C | S | . | . | trans | -75.1 | 140.5 | 174 | 29.1 | -31.4 | 0 | 0 | 0 | 111.8 | F16 F30 F34 V40 F42 P306 | F16-P32 HydrophobicContact CD1-CB 4.1Å; F16-P32 HydrophobicContact CD1-CG 3.81Å; F16-P32 HydrophobicContact CE1-CB 3.74Å; F16-P32 HydrophobicContact CE1-CG 3.86Å; F16-P32 HydrophobicContact CE2-CB 4.45Å; F16-P32 HydrophobicContact CG-CG 4.42Å; F16-P32 HydrophobicContact CZ-CB 3.93Å; F30-P32 HydrophobicContact CD1-CG 4.18Å; F30-P32 HydrophobicContact CE1-CG 3.64Å; F30-P32 WeakPolarHBondContact CE1-O 3.05Å; F30-P32 HydrophobicContact CE2-CG 4.47Å; F30-P32 HydrophobicContact CZ-CG 3.8Å; P32-F34 HydrophobicContact CB-CE1 4.26Å; P32-F34 HydrophobicContact CB-CZ 3.97Å; P32-F34 HydrophobicContact CG-CE2 4.39Å; P32-F34 HydrophobicContact CG-CZ 3.98Å; P32-V40 HydrophobicContact CB-CG2 3.83Å; P32-F42 HydrophobicContact CB-CD2 3.88Å; P32-F42 HydrophobicContact CB-CE2 4.2Å; P32-P306 HydrophobicContact CG-CB 3.67Å | ||
| 33 | I | 96.3 | Very high | 94.4 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 54% | 0.544 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.2 | 171.5 | -58.1 | 174.2 | 0 | 0 | 0 | 107.8 | I41 | I33-I41 HydrophobicContact CB-CB 4.31Å; I33-I41 PolarHBondContact N-O 3.46Å; I33-I41 PolarHBondContact O-N 3.17Å |
| 34 | F | 96.6 | Very high | 94.1 | Very high | 61 Ų | 61 | 70 Ų | 70 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 141.5 | -178.4 | -54.8 | -69.9 | 0 | 0 | 0 | 111.5 | F16 F30 P32 V40 V52 P54 | F16-F34 HydrophobicContact CB-CE1 4.45Å; F16-F34 HydrophobicContact CB-CZ 4.02Å; F16-F34 AromaticContact CD2-CE1 3.58Å; F16-F34 HydrophobicContact CD2-CE1 3.58Å; F16-F34 AromaticContact CD2-CZ 3.94Å; F16-F34 HydrophobicContact CD2-CZ 3.94Å; F16-F34 HydrophobicContact CE2-CE1 4.03Å; F16-F34 HydrophobicContact CG-CE1 4.11Å; F16-F34 AromaticContact CG-CZ 3.97Å; F16-F34 HydrophobicContact CG-CZ 3.97Å; F30-F34 HydrophobicContact CE1-CE2 4.3Å; F30-F34 HydrophobicContact CZ-CE2 4.06Å; P32-F34 HydrophobicContact CB-CE1 4.26Å; P32-F34 HydrophobicContact CB-CZ 3.97Å; P32-F34 HydrophobicContact CG-CE2 4.39Å; P32-F34 HydrophobicContact CG-CZ 3.98Å; F34-V40 HydrophobicContact CD1-CB 4.35Å; F34-V40 HydrophobicContact CD1-CG2 4.13Å; F34-V40 HydrophobicContact CE1-CG2 4.11Å; F34-V52 HydrophobicContact CD1-CG1 3.6Å; F34-V52 HydrophobicContact CE1-CG1 3.82Å; F34-P54 HydrophobicContact CD1-CB 4.43Å; F34-P54 HydrophobicContact CD2-CB 3.83Å; F34-P54 HydrophobicContact CE1-CB 4.39Å; F34-P54 HydrophobicContact CE2-CB 3.78Å; F34-P54 HydrophobicContact CG-CB 4.18Å; F34-P54 HydrophobicContact CZ-CB 4.07Å |
| 35 | Q | 93.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.3 | 174.4 | -67.5 | -170.7 | -27.6 | 0 | 0 | 108.9 | T39 I41 | Q35-T39 HydrophobicContact CB-CG2 4.31Å; Q35-T39 PolarHBondContact N-O 3.06Å; Q35-T39 VanDerWaalsContact O-CB 3.29Å; Q35-T39 WeakPolarHBondContact O-CB 3.4Å; Q35-T39 PolarHBondContact O-N 2.84Å; Q35-T39 VanDerWaalsContact O-O 3.06Å; Q35-I41 HydrophobicContact CG-CD1 4.45Å |
| 36 | G | 92 | Very high | 94.3 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 78% | 0.784 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -149.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 37 | E | 92.8 | Very high | 94.5 | Very high | 144 Ų | 144 | 61 Ų | 61 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -3.4 | 177 | -60.9 | -171 | -174.7 | 0 | 0 | 113.1 | Q51 V52 | E37-Q51 CarbonylContact O-C 3.56Å; E37-Q51 WeakPolarHBondContact O-CA 3.4Å; E37-Q51 VanDerWaalsContact O-CG 3.23Å; E37-Q51 WeakPolarHBondContact O-CG 3.35Å; E37-V52 PolarHBondContact O-N 2.98Å |
| 38 | D | 95.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -9.7 | -169.5 | 68.8 | -12.9 | 0 | 0 | 0 | 114.2 | V48 Y49 V52 | D38-V48 HydrophobicContact CB-CG1 4.4Å; D38-V48 WeakPolarHBondContact O-CA 3.28Å; D38-Y49 PolarHBondContact O-N 2.84Å; D38-V52 VanDerWaalsContact O-CG2 3.22Å; D38-V52 WeakPolarHBondContact O-CG2 3.36Å |
| 39 | T | 97.1 | Very high | 94.8 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 135.7 | -166.2 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | Q35 S46 Y47 V48 | Q35-T39 HydrophobicContact CB-CG2 4.31Å; Q35-T39 PolarHBondContact N-O 3.06Å; Q35-T39 VanDerWaalsContact O-CB 3.29Å; Q35-T39 WeakPolarHBondContact O-CB 3.4Å; Q35-T39 PolarHBondContact O-N 2.84Å; Q35-T39 VanDerWaalsContact O-O 3.06Å; T39-S46 WeakPolarHBondContact CG2-OG 3.09Å; T39-Y47 WeakPolarHBondContact CA-O 3.31Å; T39-V48 HydrophobicContact CG2-CG2 4.17Å |
| 40 | V | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.3 | 169.7 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | F16 P32 F34 Y47 Y49 V52 L318 | F16-V40 HydrophobicContact CE2-CB 4.37Å; F16-V40 HydrophobicContact CE2-CG1 4.19Å; F16-V40 HydrophobicContact CE2-CG2 3.94Å; F16-V40 HydrophobicContact CZ-CG2 4.07Å; P32-V40 HydrophobicContact CB-CG2 3.83Å; F34-V40 HydrophobicContact CD1-CB 4.35Å; F34-V40 HydrophobicContact CD1-CG2 4.13Å; F34-V40 HydrophobicContact CE1-CG2 4.11Å; V40-Y47 PolarHBondContact N-O 2.88Å; V40-Y47 PolarHBondContact O-N 2.87Å; V40-Y49 HydrophobicContact CG1-CE2 4.26Å; V40-V52 HydrophobicContact CB-CG1 4.14Å; V40-L318 HydrophobicContact CG1-CD2 3.98Å |
| 41 | I | 96.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 22% | 0.221 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.5 | 164.7 | -62.5 | -179.3 | 0 | 0 | 0 | 108.1 | I33 Q35 K45 | I33-I41 HydrophobicContact CB-CB 4.31Å; I33-I41 PolarHBondContact N-O 3.46Å; I33-I41 PolarHBondContact O-N 3.17Å; Q35-I41 HydrophobicContact CG-CD1 4.45Å; I41-K45 CarbonylContact C-O 3.57Å; I41-K45 WeakPolarHBondContact CA-O 3.4Å |
| 42 | F | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 122.6 | -178.2 | -160.4 | -91.1 | 0 | 0 | 0 | 110 | F16 I31 P32 G44 K45 Y47 D311 T314 K315 L318 | F16-F42 HydrophobicContact CE1-CD2 4.22Å; F16-F42 AromaticContact CE1-CE2 3.98Å; F16-F42 HydrophobicContact CE1-CE2 3.98Å; F16-F42 HydrophobicContact CZ-CD2 4.19Å; F16-F42 HydrophobicContact CZ-CE2 4.39Å; I31-F42 HydrophobicContact CD1-CE1 3.89Å; I31-F42 HydrophobicContact CD1-CE2 3.8Å; I31-F42 HydrophobicContact CD1-CZ 3.31Å; I31-F42 HydrophobicContact CG1-CE2 3.79Å; I31-F42 HydrophobicContact CG1-CZ 3.84Å; P32-F42 HydrophobicContact CB-CD2 3.88Å; P32-F42 HydrophobicContact CB-CE2 4.2Å; F42-G44 PolarHBondContact O-N 2.85Å; F42-K45 PolarHBondContact N-O 3.24Å; F42-K45 PolarHBondContact O-N 2.96Å; F42-K45 VanDerWaalsContact O-N 3.16Å; F42-Y47 HydrophobicContact CB-CD2 4.21Å; F42-Y47 HydrophobicContact CB-CE2 4.02Å; F42-D311 HydrophobicContact CE1-CB 4.44Å; F42-D311 VanDerWaalsContact CE1-OD1 3.28Å; F42-D311 WeakPolarHBondContact CE1-OD1 3.33Å; F42-T314 HydrophobicContact CD1-CG2 4.25Å; F42-T314 HydrophobicContact CD2-CG2 4.17Å; F42-T314 HydrophobicContact CE1-CG2 3.71Å; F42-T314 HydrophobicContact CE2-CG2 3.61Å; F42-T314 HydrophobicContact CG-CG2 4.45Å; F42-T314 HydrophobicContact CZ-CG2 3.34Å; F42-K315 HydrophobicContact CD1-CG 3.75Å; F42-K315 HydrophobicContact CE1-CG 3.97Å; F42-L318 HydrophobicContact CB-CD1 3.82Å; F42-L318 HydrophobicContact CD1-CD1 4.09Å; F42-L318 HydrophobicContact CD2-CD1 4.49Å; F42-L318 HydrophobicContact CG-CD1 3.88Å |
| 43 | G | 87.2 | Confident | 95.1 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 44 | G | 88.2 | Confident | 95.1 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 78% | 0.784 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -10.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F42 | F42-G44 PolarHBondContact O-N 2.85Š|
| 45 | K | 95.2 | Very high | 95 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.4 | 175 | -175.4 | -178.1 | 175 | -162.3 | 0 | 110.7 | I41 F42 Y47 M319 | I41-K45 CarbonylContact C-O 3.57Å; I41-K45 WeakPolarHBondContact CA-O 3.4Å; F42-K45 PolarHBondContact N-O 3.24Å; F42-K45 PolarHBondContact O-N 2.96Å; F42-K45 VanDerWaalsContact O-N 3.16Å; K45-Y47 HydrophobicContact CB-CE2 3.82Å; K45-Y47 HydrophobicContact CD-CE1 4.2Å; K45-Y47 HydrophobicContact CD-CE2 4.13Å; K45-Y47 HydrophobicContact CG-CD2 4.45Å; K45-Y47 HydrophobicContact CG-CE2 4Å; K45-Y47 WeakPolarHBondContact O-CD2 3.32Å; K45-Y47 WeakPolarHBondContact O-CE2 3.47Å; K45-M319 PolarHBondContact NZ-SD 2.79Å |
| 46 | S | 96.2 | Very high | 94.9 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.6 | 170.5 | -173.5 | 0 | 0 | 0 | 0 | 112 | T39 | T39-S46 WeakPolarHBondContact CG2-OG 3.09Å |
| 47 | Y | 97.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.6 | 178.6 | -61.9 | -100.1 | 0 | 0 | 0 | 109.6 | T39 V40 F42 K45 L318 M319 Q322 | T39-Y47 WeakPolarHBondContact CA-O 3.31Å; V40-Y47 PolarHBondContact N-O 2.88Å; V40-Y47 PolarHBondContact O-N 2.87Å; F42-Y47 HydrophobicContact CB-CD2 4.21Å; F42-Y47 HydrophobicContact CB-CE2 4.02Å; K45-Y47 HydrophobicContact CB-CE2 3.82Å; K45-Y47 HydrophobicContact CD-CE1 4.2Å; K45-Y47 HydrophobicContact CD-CE2 4.13Å; K45-Y47 HydrophobicContact CG-CD2 4.45Å; K45-Y47 HydrophobicContact CG-CE2 4Å; K45-Y47 WeakPolarHBondContact O-CD2 3.32Å; K45-Y47 WeakPolarHBondContact O-CE2 3.47Å; Y47-L318 HydrophobicContact CD1-CB 3.64Å; Y47-L318 HydrophobicContact CD1-CD1 4.46Å; Y47-L318 HydrophobicContact CD1-CG 4.49Å; Y47-L318 HydrophobicContact CD2-CD1 4.05Å; Y47-L318 HydrophobicContact CE1-CB 3.61Å; Y47-L318 HydrophobicContact CE1-CD1 4.43Å; Y47-L318 HydrophobicContact CE2-CD1 4.04Å; Y47-L318 HydrophobicContact CG-CB 4.19Å; Y47-L318 HydrophobicContact CG-CD1 4.27Å; Y47-M319 HydrophobicContact CE1-CG 4.12Å; Y47-M319 HydrophobicContact CE1-SD 3.76Å; Y47-Q322 HydrophobicContact CD1-CG 4.14Å |
| 48 | V | 96.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 44 Ų | 44 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.7 | -177.9 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | D38 T39 | D38-V48 HydrophobicContact CB-CG1 4.4Å; D38-V48 WeakPolarHBondContact O-CA 3.28Å; T39-V48 HydrophobicContact CG2-CG2 4.17Å |
| 49 | Y | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | trans | -128.6 | -161.9 | -176.4 | -67 | -70.3 | 0 | 0 | 0 | 111.2 | V12 C14 D38 V40 V52 I302 L318 Q322 K325 | V12-Y49 HydrophobicContact CB-CD1 4.22Å; V12-Y49 HydrophobicContact CG1-CD1 3.69Å; V12-Y49 HydrophobicContact CG1-CE1 4.14Å; V12-Y49 WeakPolarHBondContact O-CB 3.2Å; C14-Y49 HydrophobicContact CB-CD2 3.85Å; C14-Y49 HydrophobicContact CB-CE2 4.2Å; C14-Y49 HydrophobicContact CB-CG 4.23Å; D38-Y49 PolarHBondContact O-N 2.84Å; V40-Y49 HydrophobicContact CG1-CE2 4.26Å; Y49-V52 HydrophobicContact CD2-CG2 3.78Å; Y49-V52 HydrophobicContact CG-CG2 4.49Å; Y49-I302 HydrophobicContact CD1-CD1 3.94Å; Y49-I302 HydrophobicContact CE1-CD1 3.4Å; Y49-I302 HydrophobicContact CE2-CD1 4.23Å; Y49-L318 HydrophobicContact CE2-CD2 3.65Å; Y49-L318 WeakPolarHBondContact OH-CA 3.29Å; Y49-L318 VanDerWaalsContact OH-CB 3.31Å; Y49-L318 WeakPolarHBondContact OH-CB 3.37Å; Y49-L318 WeakPolarHBondContact OH-CD2 3.28Å; Y49-L318 PolarHBondContact OH-O 3.29Å; Y49-Q322 HydrophobicContact CE1-CG 4.13Å; Y49-K325 PolarHBondContact O-NZ 2.9Å | ||
| 50 | D | 95.6 | Very high | 95.2 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -88.7 | -27.7 | 167.3 | -62 | -72.2 | 0 | 0 | 0 | 111.6 | K11 V12 K325 | K11-D50 WeakPolarHBondContact CA-OD2 3.4Å; V12-D50 PolarHBondContact N-OD2 3.44Å; V12-D50 WeakPolarHBondContact O-CB 3.45Å; V12-D50 PolarHBondContact O-N 2.97Å; D50-K325 IonicContact OD1-NZ 3.35Å; D50-K325 PolarHBondContact OD1-NZ 3.27Å; D50-K325 IonicContact OD2-NZ 2.8Å; D50-K325 PolarHBondContact OD2-NZ 2.96Å |
| 51 | Q | 96.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.22 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 155.8 | 162.4 | -146.9 | 169.1 | 14.9 | 0 | 0 | 110.4 | L13 C14 E37 F53 A65 | L13-Q51 CarbonylContact C-O 3.59Å; L13-Q51 WeakPolarHBondContact CA-O 3.38Å; L13-Q51 HydrophobicContact CD2-CB 3.94Å; L13-Q51 HydrophobicContact CG-CB 4.26Å; C14-Q51 PolarHBondContact N-O 3.04Å; E37-Q51 CarbonylContact O-C 3.56Å; E37-Q51 WeakPolarHBondContact O-CA 3.4Å; E37-Q51 VanDerWaalsContact O-CG 3.23Å; E37-Q51 WeakPolarHBondContact O-CG 3.35Å; Q51-F53 HydrophobicContact CB-CE1 4.45Å; Q51-F53 HydrophobicContact CB-CZ 4.22Å; Q51-F53 HydrophobicContact CG-CE1 4.09Å; Q51-F53 HydrophobicContact CG-CZ 4.34Å; Q51-A65 VanDerWaalsContact OE1-CB 3.3Å |
| 52 | V | 97.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 115 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | C14 F34 E37 D38 V40 Y49 P54 | C14-V52 HydrophobicContact CB-CG2 4.09Å; C14-V52 WeakPolarHBondContact O-CA 3.34Å; F34-V52 HydrophobicContact CD1-CG1 3.6Å; F34-V52 HydrophobicContact CE1-CG1 3.82Å; E37-V52 PolarHBondContact O-N 2.98Å; D38-V52 VanDerWaalsContact O-CG2 3.22Å; D38-V52 WeakPolarHBondContact O-CG2 3.36Å; V40-V52 HydrophobicContact CB-CG1 4.14Å; Y49-V52 HydrophobicContact CD2-CG2 3.78Å; Y49-V52 HydrophobicContact CG-CG2 4.49Å; V52-P54 VanDerWaalsContact O-CD 3.24Å; V52-P54 WeakPolarHBondContact O-CD 3.27Å |
| 53 | F | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 111.8 | 178.1 | -58.7 | -60.9 | 0 | 0 | 0 | 110.9 | L13 C14 R15 F16 Q51 T57 V62 A65 F301 | L13-F53 HydrophobicContact CB-CD2 4.48Å; L13-F53 HydrophobicContact CB-CE2 3.82Å; L13-F53 HydrophobicContact CD2-CE2 3.56Å; L13-F53 HydrophobicContact CD2-CZ 3.61Å; L13-F53 HydrophobicContact CG-CE2 4.32Å; C14-F53 WeakPolarHBondContact O-CD2 3.4Å; C14-F53 PolarHBondContact O-N 2.82Å; R15-F53 HydrophobicContact CB-CB 4.37Å; R15-F53 HydrophobicContact CB-CD2 4.3Å; R15-F53 HydrophobicContact CG-CB 4.09Å; F16-F53 PolarHBondContact N-O 3.29Å; Q51-F53 HydrophobicContact CB-CE1 4.45Å; Q51-F53 HydrophobicContact CB-CZ 4.22Å; Q51-F53 HydrophobicContact CG-CE1 4.09Å; Q51-F53 HydrophobicContact CG-CZ 4.34Å; F53-T57 HydrophobicContact CB-CG2 4.16Å; F53-T57 HydrophobicContact CD1-CG2 3.59Å; F53-T57 HydrophobicContact CE1-CG2 4.28Å; F53-T57 HydrophobicContact CG-CG2 4.11Å; F53-V62 HydrophobicContact CD1-CG2 4.29Å; F53-V62 HydrophobicContact CD2-CG2 3.97Å; F53-V62 HydrophobicContact CE1-CG2 4.43Å; F53-V62 HydrophobicContact CE2-CG2 4.14Å; F53-V62 HydrophobicContact CG-CG2 4.03Å; F53-V62 HydrophobicContact CZ-CG2 4.35Å; F53-A65 HydrophobicContact CE1-CB 4.16Å; F53-A65 HydrophobicContact CZ-CB 3.68Å; F53-F301 HydrophobicContact CD2-CE1 4.39Å; F53-F301 AromaticContact CE2-CE1 3.81Å; F53-F301 HydrophobicContact CE2-CE1 3.81Å |
| 54 | P | 95.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 49.6 Ų | 49.6 | 25% | 0.253 | 28% | 0.283 | S | S | . | . | trans | -67.9 | 172.7 | 170 | 29.3 | -36.2 | 0 | 0 | 0 | 112.1 | F34 V52 N56 T57 | F34-P54 HydrophobicContact CD1-CB 4.43Å; F34-P54 HydrophobicContact CD2-CB 3.83Å; F34-P54 HydrophobicContact CE1-CB 4.39Å; F34-P54 HydrophobicContact CE2-CB 3.78Å; F34-P54 HydrophobicContact CG-CB 4.18Å; F34-P54 HydrophobicContact CZ-CB 4.07Å; V52-P54 VanDerWaalsContact O-CD 3.24Å; V52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-N56 WeakPolarHBondContact CG-OD1 3.48Å; P54-N56 PolarHBondContact O-N 3.16Å; P54-T57 WeakPolarHBondContact CD-OG1 3.5Å; P54-T57 PolarHBondContact O-N 3.05Å; P54-T57 VanDerWaalsContact O-N 3.09Å; P54-T57 PolarHBondContact O-OG1 3.06Å | ||
| 55 | T | 93.9 | Very high | 95.5 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 26% | 0.264 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.4 | -168.6 | 60.7 | 0 | 0 | 0 | 0 | 115.7 | F16 R17 P18 F30 | F16-T55 HydrophobicContact CB-CG2 3.98Å; F16-T55 WeakPolarHBondContact O-CA 3.39Å; R17-T55 VanDerWaalsContact C-CG2 3.48Å; R17-T55 WeakPolarHBondContact O-CG2 3.34Å; P18-T55 WeakPolarHBondContact CG-O 3.47Å; F30-T55 HydrophobicContact CE2-CG2 3.79Å; F30-T55 HydrophobicContact CZ-CG2 3.99Å |
| 56 | N | 93 | Very high | 94.9 | Very high | 131 Ų | 131 | 43.6 Ų | 43.6 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1 | 175.7 | 62.7 | -41.5 | 0 | 0 | 0 | 113.8 | P54 T58 | P54-N56 WeakPolarHBondContact CG-OD1 3.48Å; P54-N56 PolarHBondContact O-N 3.16Å; N56-T58 PolarHBondContact O-N 2.98Å |
| 57 | T | 96.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | trans | -71.8 | 126.4 | -179.9 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | R15 F53 P54 Q61 V62 | R15-T57 PolarHBondContact NH2-O 3.1Å; F53-T57 HydrophobicContact CB-CG2 4.16Å; F53-T57 HydrophobicContact CD1-CG2 3.59Å; F53-T57 HydrophobicContact CE1-CG2 4.28Å; F53-T57 HydrophobicContact CG-CG2 4.11Å; P54-T57 WeakPolarHBondContact CD-OG1 3.5Å; P54-T57 PolarHBondContact O-N 3.05Å; P54-T57 VanDerWaalsContact O-N 3.09Å; P54-T57 PolarHBondContact O-OG1 3.06Å; T57-Q61 HydrophobicContact CG2-CB 3.6Å; T57-V62 HydrophobicContact CG2-CG2 3.85Å | ||
| 58 | T | 95.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | trans | -72 | 164.3 | -179.6 | 74 | 0 | 0 | 0 | 0 | 112.7 | N56 E60 Q61 V62 | N56-T58 PolarHBondContact O-N 2.98Å; T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 3.33Å; T58-E60 PolarHBondContact OG1-N 2.7Å; T58-Q61 PolarHBondContact O-N 2.87Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T58-Q61 PolarHBondContact OG1-N 3.3Å; T58-Q61 PolarHBondContact OG1-OE1 2.99Å; T58-V62 WeakPolarHBondContact O-CG2 3.49Å; T58-V62 PolarHBondContact O-N 3.11Å | ||
| 59 | Q | 95.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 173.7 | -60.1 | -77 | 71.6 | 0 | 0 | 112.2 | R15 V62 Y63 H94 A105 M106 | R15-Q59 VanDerWaalsContact CZ-OE1 3.28Å; Q59-V62 PolarHBondContact O-N 3.25Å; Q59-Y63 WeakPolarHBondContact O-CB 3.5Å; Q59-Y63 PolarHBondContact O-N 2.98Å; Q59-H94 VanDerWaalsContact CD-CE1 3.49Å; Q59-H94 PolarHBondContact NE2-O 2.89Å; Q59-H94 PolarHBondContact OE1-CE1 3.3Å; Q59-H94 VanDerWaalsContact OE1-CE1 3.28Å; Q59-A105 PolarHBondContact NE2-O 2.74Å; Q59-M106 WeakPolarHBondContact CB-O 3.33Å |
| 60 | E | 95.8 | Very high | 93.9 | Very high | 107 Ų | 107 | 44.2 Ų | 44.2 | 50% | 0.5 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.5 | -42.4 | -179.3 | -166.3 | -162.8 | 145.1 | 0 | 0 | 112 | T58 V62 Y63 N64 | T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 3.33Å; T58-E60 PolarHBondContact OG1-N 2.7Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 2.99Å; E60-Y63 PolarHBondContact O-N 2.95Å; E60-N64 WeakPolarHBondContact O-CB 3.17Å; E60-N64 PolarHBondContact O-N 3.17Å; E60-N64 PolarHBondContact O-ND2 2.87Å |
| 61 | Q | 95.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 40.9 Ų | 40.9 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.7 | -73.7 | 171.7 | -41.6 | 0 | 0 | 111.3 | T57 T58 Y63 N64 A65 | T57-Q61 HydrophobicContact CG2-CB 3.6Å; T58-Q61 PolarHBondContact O-N 2.87Å; T58-Q61 WeakPolarHBondContact OG1-CG 3.3Å; T58-Q61 PolarHBondContact OG1-N 3.3Å; T58-Q61 PolarHBondContact OG1-OE1 2.99Å; Q61-Y63 VanDerWaalsContact C-N 3.34Å; Q61-Y63 PolarHBondContact O-N 3.15Å; Q61-N64 PolarHBondContact O-N 3.48Å; Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 3.03Å; Q61-A65 VanDerWaalsContact O-N 3.12Å |
| 62 | V | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.4 | 163 | 0 | 0 | 0 | 0 | 112.3 | F53 T57 T58 Q59 E60 T95 I108 F301 | F53-V62 HydrophobicContact CD1-CG2 4.29Å; F53-V62 HydrophobicContact CD2-CG2 3.97Å; F53-V62 HydrophobicContact CE1-CG2 4.43Å; F53-V62 HydrophobicContact CE2-CG2 4.14Å; F53-V62 HydrophobicContact CG-CG2 4.03Å; F53-V62 HydrophobicContact CZ-CG2 4.35Å; T57-V62 HydrophobicContact CG2-CG2 3.85Å; T58-V62 WeakPolarHBondContact O-CG2 3.49Å; T58-V62 PolarHBondContact O-N 3.11Å; Q59-V62 PolarHBondContact O-N 3.25Å; E60-V62 VanDerWaalsContact C-N 3.33Å; E60-V62 PolarHBondContact O-N 2.99Å; V62-T95 HydrophobicContact CG1-CG2 4.04Å; V62-I108 HydrophobicContact CG1-CD1 4.21Å; V62-I108 HydrophobicContact CG1-CG1 4.46Å; V62-F301 HydrophobicContact CG1-CE1 3.59Å; V62-F301 HydrophobicContact CG1-CZ 3.73Å |
| 63 | Y | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -67.5 | -51 | 175.5 | 174.1 | -100.3 | 0 | 0 | 0 | 112.3 | Q59 E60 Q61 A65 C66 A67 K68 R111 I112 D115 | Q59-Y63 WeakPolarHBondContact O-CB 3.5Å; Q59-Y63 PolarHBondContact O-N 2.98Å; E60-Y63 PolarHBondContact O-N 2.95Å; Q61-Y63 VanDerWaalsContact C-N 3.34Å; Q61-Y63 PolarHBondContact O-N 3.15Å; Y63-A65 VanDerWaalsContact C-N 3.27Å; Y63-A65 PolarHBondContact O-N 3.39Å; Y63-C66 PolarHBondContact O-N 3.17Å; Y63-A67 HydrophobicContact CD2-CB 3.47Å; Y63-A67 VanDerWaalsContact CD2-CB 3.47Å; Y63-A67 HydrophobicContact CE2-CB 3.52Å; Y63-A67 HydrophobicContact CG-CB 4.39Å; Y63-A67 WeakPolarHBondContact O-CB 3.17Å; Y63-A67 PolarHBondContact O-N 3.05Å; Y63-K68 HydrophobicContact CD1-CB 4.42Å; Y63-K68 HydrophobicContact CE1-CB 3.75Å; Y63-K68 HydrophobicContact CE1-CD 4.05Å; Y63-K68 HydrophobicContact CE1-CG 4.02Å; Y63-K68 PolarHBondContact O-N 2.97Å; Y63-K68 WeakPolarHBondContact OH-CA 3.24Å; Y63-R111 HydrophobicContact CD1-CB 4.2Å; Y63-R111 HydrophobicContact CD2-CB 3.56Å; Y63-R111 HydrophobicContact CE1-CB 4.4Å; Y63-R111 HydrophobicContact CE2-CB 3.84Å; Y63-R111 HydrophobicContact CG-CB 3.81Å; Y63-R111 HydrophobicContact CG-CG 4.4Å; Y63-I112 HydrophobicContact CD2-CG1 4.48Å; Y63-I112 HydrophobicContact CE2-CG1 3.72Å; Y63-D115 WeakPolarHBondContact OH-CB 3.21Å; Y63-D115 PolarHBondContact OH-OD2 2.88Å |
| 64 | N | 94.2 | Very high | 93.3 | Very high | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -63.2 | -31 | -176.2 | -75.8 | -28.1 | 0 | 0 | 0 | 112.8 | E60 Q61 C66 K68 | E60-N64 WeakPolarHBondContact O-CB 3.17Å; E60-N64 PolarHBondContact O-N 3.17Å; E60-N64 PolarHBondContact O-ND2 2.87Å; Q61-N64 PolarHBondContact O-N 3.48Å; N64-C66 PolarHBondContact O-N 3.47Å; N64-K68 WeakPolarHBondContact OD1-CD 3.33Å |
| 65 | A | 88.4 | Confident | 93.1 | Very high | 40 Ų | 40 | 43.4 Ų | 43.4 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -64.5 | -30.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L13 Q51 F53 Q61 Y63 | L13-A65 HydrophobicContact CD2-CB 4.36Å; Q51-A65 VanDerWaalsContact OE1-CB 3.3Å; F53-A65 HydrophobicContact CE1-CB 4.16Å; F53-A65 HydrophobicContact CZ-CB 3.68Å; Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 3.03Å; Q61-A65 VanDerWaalsContact O-N 3.12Å; Y63-A65 VanDerWaalsContact C-N 3.27Å; Y63-A65 PolarHBondContact O-N 3.39Å |
| 66 | C | 82.6 | Confident | 93 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -148.1 | -42.2 | -176 | 64 | 0 | 0 | 0 | 0 | 115.2 | L13 Y63 N64 K68 Q69 I70 T299 F301 | L13-C66 HydrophobicContact CD1-CB 4.23Å; L13-C66 HydrophobicContact CD2-CB 4.19Å; Y63-C66 PolarHBondContact O-N 3.17Å; N64-C66 PolarHBondContact O-N 3.47Å; C66-K68 PolarHBondContact O-N 3.26Å; C66-Q69 PolarHBondContact O-N 3.4Å; C66-I70 PolarHBondContact O-N 3.41Å; C66-T299 HydrophobicContact CB-CG2 4.16Å; C66-F301 WeakPolarHBondContact SG-CZ 3.47Å |
| 67 | A | 89.1 | Confident | 92.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -66.8 | -38.9 | -173 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y63 Q69 I70 V71 I82 I108 I112 | Y63-A67 HydrophobicContact CD2-CB 3.47Å; Y63-A67 VanDerWaalsContact CD2-CB 3.47Å; Y63-A67 HydrophobicContact CE2-CB 3.52Å; Y63-A67 HydrophobicContact CG-CB 4.39Å; Y63-A67 WeakPolarHBondContact O-CB 3.17Å; Y63-A67 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-N 3.45Å; A67-I70 PolarHBondContact O-N 3.28Å; A67-I70 VanDerWaalsContact O-N 3.07Å; A67-V71 PolarHBondContact O-N 3.42Å; A67-I82 HydrophobicContact CB-CD1 3.8Å; A67-I108 HydrophobicContact CB-CG2 3.96Å; A67-I112 HydrophobicContact CB-CD1 4.27Å; A67-I112 HydrophobicContact CB-CG1 4.42Å |
| 68 | K | 91.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 24% | 0.239 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -30 | 176.5 | -163.4 | 164.7 | -163.7 | 88.2 | 0 | 114 | Y63 N64 C66 D115 | Y63-K68 HydrophobicContact CD1-CB 4.42Å; Y63-K68 HydrophobicContact CE1-CB 3.75Å; Y63-K68 HydrophobicContact CE1-CD 4.05Å; Y63-K68 HydrophobicContact CE1-CG 4.02Å; Y63-K68 PolarHBondContact O-N 2.97Å; Y63-K68 WeakPolarHBondContact OH-CA 3.24Å; N64-K68 WeakPolarHBondContact OD1-CD 3.33Å; C66-K68 PolarHBondContact O-N 3.26Å; K68-D115 WeakPolarHBondContact CE-OD2 3.36Å; K68-D115 WeakPolarHBondContact CG-OD2 3.46Å; K68-D115 IonicContact NZ-OD1 2.62Å; K68-D115 PolarHBondContact NZ-OD1 3.02Å; K68-D115 IonicContact NZ-OD2 2.78Å; K68-D115 PolarHBondContact NZ-OD2 3.47Å |
| 69 | Q | 91.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -77.1 | -43.5 | 173.2 | -178.4 | 52.9 | 44.1 | 0 | 0 | 111.4 | C66 A67 V71 R72 D73 | C66-Q69 PolarHBondContact O-N 3.4Å; A67-Q69 PolarHBondContact O-N 3.45Å; Q69-V71 VanDerWaalsContact C-N 3.28Å; Q69-V71 PolarHBondContact O-N 2.65Å; Q69-R72 WeakPolarHBondContact O-CB 3.44Å; Q69-R72 PolarHBondContact O-N 2.8Å; Q69-R72 VanDerWaalsContact O-N 3.12Å; Q69-D73 WeakPolarHBondContact CG-OD2 3.23Å; Q69-D73 PolarHBondContact NE2-OD2 2.85Å; Q69-D73 PolarHBondContact O-N 2.94Å; Q69-D73 VanDerWaalsContact O-OD2 3.09Å |
| 70 | I | 94 | Very high | 92.6 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -38.4 | 176.5 | -71.2 | 175 | 0 | 0 | 0 | 111.7 | C66 A67 R72 D73 V74 I82 L228 T299 | C66-I70 PolarHBondContact O-N 3.41Å; A67-I70 PolarHBondContact O-N 3.28Å; A67-I70 VanDerWaalsContact O-N 3.07Å; I70-R72 PolarHBondContact O-N 2.96Å; I70-D73 PolarHBondContact O-N 3.43Å; I70-V74 HydrophobicContact CG2-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.39Å; I70-V74 VanDerWaalsContact O-CG2 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 3.41Å; I70-V74 PolarHBondContact O-N 3.23Å; I70-I82 HydrophobicContact CD1-CD1 4.12Å; I70-I82 HydrophobicContact CD1-CG1 3.77Å; I70-I82 HydrophobicContact CG2-CD1 4.49Å; I70-L228 HydrophobicContact CG2-CD1 3.6Å; I70-T299 WeakPolarHBondContact CD1-OG1 3.21Å |
| 71 | V | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | A67 Q69 D73 V74 L75 I112 D115 I116 | A67-V71 PolarHBondContact O-N 3.42Å; Q69-V71 VanDerWaalsContact C-N 3.28Å; Q69-V71 PolarHBondContact O-N 2.65Å; V71-D73 VanDerWaalsContact C-N 3.35Å; V71-D73 PolarHBondContact O-N 3.17Å; V71-V74 PolarHBondContact O-N 2.7Å; V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 WeakPolarHBondContact O-CB 3.22Å; V71-L75 WeakPolarHBondContact O-CG 3.41Å; V71-L75 PolarHBondContact O-N 2.89Å; V71-I112 HydrophobicContact CG2-CB 4.23Å; V71-I112 HydrophobicContact CG2-CD1 4.48Å; V71-I112 HydrophobicContact CG2-CG1 3.8Å; V71-I112 HydrophobicContact CG2-CG2 4.01Å; V71-D115 HydrophobicContact CG1-CB 4.34Å; V71-I116 HydrophobicContact CG1-CG1 3.78Å |
| 72 | R | 92.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 25 Ų | 25 | 49% | 0.491 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 177.1 | -68.2 | 170.2 | 172.8 | 175.4 | -4.7 | 112.6 | Q69 I70 L75 G76 | Q69-R72 WeakPolarHBondContact O-CB 3.44Å; Q69-R72 PolarHBondContact O-N 2.8Å; Q69-R72 VanDerWaalsContact O-N 3.12Å; I70-R72 PolarHBondContact O-N 2.96Å; R72-L75 PolarHBondContact O-N 3.33Å; R72-G76 PolarHBondContact O-N 2.87Å |
| 73 | D | 92.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 25 Ų | 25 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 176.8 | -74.9 | -65.2 | 0 | 0 | 0 | 112.2 | Q69 I70 V71 G76 G77 Y78 R297 | Q69-D73 WeakPolarHBondContact CG-OD2 3.23Å; Q69-D73 PolarHBondContact NE2-OD2 2.85Å; Q69-D73 PolarHBondContact O-N 2.94Å; Q69-D73 VanDerWaalsContact O-OD2 3.09Å; I70-D73 PolarHBondContact O-N 3.43Å; V71-D73 VanDerWaalsContact C-N 3.35Å; V71-D73 PolarHBondContact O-N 3.17Å; D73-G76 CarbonylContact O-C 3.43Å; D73-G76 WeakPolarHBondContact O-CA 3.44Å; D73-G76 PolarHBondContact O-N 3.49Å; D73-G77 PolarHBondContact O-N 2.91Å; D73-Y78 HydrophobicContact CB-CD2 4.03Å; D73-Y78 WeakPolarHBondContact O-CB 3.49Å; D73-Y78 WeakPolarHBondContact O-CD2 3.49Å; D73-Y78 PolarHBondContact O-N 3.32Å; D73-R297 IonicContact OD1-CZ 2.69Å; D73-R297 IonicContact OD1-NE 2.69Å; D73-R297 PolarHBondContact OD1-NE 2.71Å; D73-R297 IonicContact OD1-NH2 3.6Å; D73-R297 PolarHBondContact OD1-NH2 3.33Å; D73-R297 VanDerWaalsContact OD2-CD 3.24Å; D73-R297 WeakPolarHBondContact OD2-CD 3.37Å; D73-R297 IonicContact OD2-CZ 2.86Å; D73-R297 IonicContact OD2-NE 3.39Å; D73-R297 PolarHBondContact OD2-NE 2.88Å |
| 74 | V | 94.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | I70 V71 G76 G77 Y78 I213 L228 | I70-V74 HydrophobicContact CG2-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.39Å; I70-V74 VanDerWaalsContact O-CG2 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 3.41Å; I70-V74 PolarHBondContact O-N 3.23Å; V71-V74 PolarHBondContact O-N 2.7Å; V74-G76 PolarHBondContact O-N 3.36Å; V74-G77 PolarHBondContact O-N 3.48Å; V74-Y78 WeakPolarHBondContact CA-O 3.42Å; V74-I213 HydrophobicContact CG1-CD1 3.98Å; V74-I213 HydrophobicContact CG1-CG1 4.33Å; V74-L228 HydrophobicContact CG1-CB 4.09Å; V74-L228 HydrophobicContact CG2-CB 4.03Å; V74-L228 HydrophobicContact CG2-CD1 4.29Å; V74-L228 HydrophobicContact CG2-CD2 4.36Å; V74-L228 HydrophobicContact CG2-CG 4.46Å |
| 75 | L | 92.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.9 | -23 | 168.7 | -69.4 | 167.7 | 0 | 0 | 0 | 112.4 | V71 R72 G77 H119 I120 M123 F129 I213 Q215 | V71-L75 HydrophobicContact CG1-CD1 3.89Å; V71-L75 WeakPolarHBondContact O-CB 3.22Å; V71-L75 WeakPolarHBondContact O-CG 3.41Å; V71-L75 PolarHBondContact O-N 2.89Å; R72-L75 PolarHBondContact O-N 3.33Å; L75-G77 VanDerWaalsContact C-N 3.25Å; L75-G77 PolarHBondContact O-N 2.89Å; L75-H119 HydrophobicContact CD1-CB 3.55Å; L75-I120 HydrophobicContact CD2-CD1 4.28Å; L75-I120 HydrophobicContact CD2-CG1 4.11Å; L75-M123 HydrophobicContact CB-CE 4.25Å; L75-M123 HydrophobicContact CD1-CE 4.26Å; L75-F129 HydrophobicContact CD2-CE1 4.31Å; L75-I213 HydrophobicContact CD2-CD1 3.89Å; L75-I213 HydrophobicContact CD2-CG2 4.34Å; L75-I213 HydrophobicContact CG-CD1 4.43Å; L75-Q215 PolarHBondContact O-NE2 3.5Å |
| 76 | G | 91.1 | Very high | 92.9 | Very high | 32 Ų | 32 | 20.4 Ų | 20.4 | 33% | 0.33 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R72 D73 V74 | R72-G76 PolarHBondContact O-N 2.87Å; D73-G76 CarbonylContact O-C 3.43Å; D73-G76 WeakPolarHBondContact O-CA 3.44Å; D73-G76 PolarHBondContact O-N 3.49Å; V74-G76 PolarHBondContact O-N 3.36Å |
| 77 | G | 90.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 15.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D73 V74 L75 N334 | D73-G77 PolarHBondContact O-N 2.91Å; V74-G77 PolarHBondContact O-N 3.48Å; L75-G77 VanDerWaalsContact C-N 3.25Å; L75-G77 PolarHBondContact O-N 2.89Å; G77-N334 WeakPolarHBondContact O-CB 3.44Å; G77-N334 PolarHBondContact O-N 2.66Å; G77-N334 PolarHBondContact O-ND2 2.8Å |
| 78 | Y | 92.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 22.6 Ų | 22.6 | 23% | 0.231 | 11% | 0.108 | C | C | . | . | trans | -83.4 | 161.1 | 166.2 | -62.7 | -72.1 | 0 | 0 | 0 | 111 | D73 V74 G226 V331 T332 V333 | D73-Y78 HydrophobicContact CB-CD2 4.03Å; D73-Y78 WeakPolarHBondContact O-CB 3.49Å; D73-Y78 WeakPolarHBondContact O-CD2 3.49Å; D73-Y78 PolarHBondContact O-N 3.32Å; V74-Y78 WeakPolarHBondContact CA-O 3.42Å; Y78-G226 VanDerWaalsContact O-CA 3.3Å; Y78-G226 WeakPolarHBondContact O-CA 3.43Å; Y78-V331 HydrophobicContact CD1-CG1 3.34Å; Y78-V331 HydrophobicContact CE1-CG1 3.73Å; Y78-V331 HydrophobicContact CG-CG1 4.05Å; Y78-T332 WeakPolarHBondContact CD1-O 3.4Å; Y78-V333 HydrophobicContact CD1-CG2 4.06Å; Y78-V333 HydrophobicContact CE1-CB 4.35Å; Y78-V333 HydrophobicContact CE1-CG2 3.4Å; Y78-V333 VanDerWaalsContact CE1-CG2 3.4Å; Y78-V333 HydrophobicContact CE2-CG2 4.19Å; Y78-V333 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 79 | N | 93.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | trans | -84.3 | 147.1 | 162.9 | -61.6 | -33.1 | 0 | 0 | 0 | 110.4 | K227 D290 N295 C296 R297 N334 | N79-K227 CarbonylContact C-O 3.6Å; N79-K227 VanDerWaalsContact CA-O 3.26Å; N79-K227 WeakPolarHBondContact CA-O 3.46Å; N79-K227 WeakPolarHBondContact OD1-CB 3.03Å; N79-K227 PolarHBondContact OD1-N 2.87Å; N79-K227 VanDerWaalsContact OD1-N 3.13Å; N79-D290 PolarHBondContact ND2-OD2 2.91Å; N79-N295 WeakPolarHBondContact CB-O 3.31Å; N79-N295 PolarHBondContact ND2-O 2.93Å; N79-C296 VanDerWaalsContact C-SG 3.57Å; N79-C296 HydrophobicContact CB-CB 4.2Å; N79-C296 WeakPolarHBondContact O-CA 3.46Å; N79-C296 PolarHBondContact O-SG 3.26Å; N79-R297 PolarHBondContact O-N 3.46Å; N79-N334 VanDerWaalsContact CG-ND2 3.29Å; N79-N334 PolarHBondContact ND2-ND2 2.85Å; N79-N334 PolarHBondContact OD1-ND2 3.47Å | ||
| 80 | G | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K227 L228 Y229 C296 R297 | G80-K227 PolarHBondContact N-O 2.95Å; G80-L228 WeakPolarHBondContact O-CA 3.44Å; G80-Y229 PolarHBondContact O-N 3.44Å; G80-C296 VanDerWaalsContact CA-SG 3.52Å; G80-R297 WeakPolarHBondContact CA-O 3.1Å |
| 81 | T | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.7 | 172.4 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | F83 Y229 V231 S291 C296 R297 T298 T299 | T81-F83 HydrophobicContact CG2-CD1 4.31Å; T81-F83 HydrophobicContact CG2-CD2 4Å; T81-F83 HydrophobicContact CG2-CE1 3.8Å; T81-F83 HydrophobicContact CG2-CE2 3.51Å; T81-F83 HydrophobicContact CG2-CG 4.38Å; T81-F83 HydrophobicContact CG2-CZ 3.39Å; T81-Y229 CarbonylContact C-O 3.47Å; T81-Y229 VanDerWaalsContact CA-O 3.32Å; T81-Y229 WeakPolarHBondContact CA-O 3.41Å; T81-V231 HydrophobicContact CG2-CG2 4.49Å; T81-S291 WeakPolarHBondContact OG1-CB 3.46Å; T81-S291 PolarHBondContact OG1-OG 2.77Å; T81-C296 PolarHBondContact N-SG 3.38Å; T81-C296 VanDerWaalsContact N-SG 3.41Å; T81-C296 PolarHBondContact OG1-SG 2.91Å; T81-R297 PolarHBondContact N-O 2.96Å; T81-T298 WeakPolarHBondContact O-CA 2.81Å; T81-T299 PolarHBondContact O-N 2.95Å |
| 82 | I | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.4 | 174.1 | -55.9 | -179.8 | 0 | 0 | 0 | 109.1 | A67 I70 M96 I108 I112 Y229 L230 V231 T299 F301 | A67-I82 HydrophobicContact CB-CD1 3.8Å; I70-I82 HydrophobicContact CD1-CD1 4.12Å; I70-I82 HydrophobicContact CD1-CG1 3.77Å; I70-I82 HydrophobicContact CG2-CD1 4.49Å; I82-M96 HydrophobicContact CG2-CE 4.3Å; I82-M96 HydrophobicContact CG2-SD 4.21Å; I82-I108 HydrophobicContact CD1-CG2 4.03Å; I82-I108 HydrophobicContact CG2-CD1 4.37Å; I82-I112 HydrophobicContact CD1-CD1 3.78Å; I82-Y229 PolarHBondContact N-O 2.9Å; I82-L230 HydrophobicContact CB-CD2 3.91Å; I82-L230 HydrophobicContact CD1-CD2 3.96Å; I82-L230 HydrophobicContact CG1-CD2 4.07Å; I82-V231 PolarHBondContact O-N 2.83Å; I82-T299 WeakPolarHBondContact CA-O 3.35Å; I82-F301 HydrophobicContact CG2-CD2 3.87Å; I82-F301 HydrophobicContact CG2-CE2 3.87Å |
| 83 | F | 92.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.9 | 175.2 | -63.8 | -68.6 | 0 | 0 | 0 | 111.9 | T81 V231 L288 L292 T298 T299 M300 F301 | T81-F83 HydrophobicContact CG2-CD1 4.31Å; T81-F83 HydrophobicContact CG2-CD2 4Å; T81-F83 HydrophobicContact CG2-CE1 3.8Å; T81-F83 HydrophobicContact CG2-CE2 3.51Å; T81-F83 HydrophobicContact CG2-CG 4.38Å; T81-F83 HydrophobicContact CG2-CZ 3.39Å; F83-V231 CarbonylContact C-O 3.49Å; F83-V231 HydrophobicContact CD1-CB 3.65Å; F83-V231 HydrophobicContact CD1-CG1 3.8Å; F83-V231 HydrophobicContact CD1-CG2 4.06Å; F83-V231 HydrophobicContact CE1-CB 4.01Å; F83-V231 HydrophobicContact CE1-CG1 4.06Å; F83-V231 HydrophobicContact CE1-CG2 3.93Å; F83-L288 HydrophobicContact CE1-CD1 3.44Å; F83-L288 VanDerWaalsContact CE1-CD1 3.44Å; F83-L288 HydrophobicContact CE1-CD2 3.62Å; F83-L288 HydrophobicContact CE1-CG 4.05Å; F83-L288 HydrophobicContact CZ-CB 4.29Å; F83-L288 HydrophobicContact CZ-CD1 3.82Å; F83-L288 HydrophobicContact CZ-CD2 3.81Å; F83-L288 HydrophobicContact CZ-CG 4.16Å; F83-L292 HydrophobicContact CE2-CD2 4Å; F83-T298 HydrophobicContact CD2-CG2 3.8Å; F83-T298 HydrophobicContact CE2-CG2 3.55Å; F83-T299 PolarHBondContact N-O 3.43Å; F83-M300 HydrophobicContact CB-CB 4.41Å; F83-M300 HydrophobicContact CB-CG 4.2Å; F83-M300 HydrophobicContact CD2-CE 4.34Å; F83-F301 WeakPolarHBondContact O-CB 3.33Å; F83-F301 PolarHBondContact O-N 2.99Å |
| 84 | A | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K92 M96 V231 L233 F301 | A84-K92 HydrophobicContact CB-CB 3.81Å; A84-K92 HydrophobicContact CB-CG 4.35Å; A84-M96 HydrophobicContact CB-CG 3.61Å; A84-M96 HydrophobicContact CB-SD 3.88Å; A84-V231 PolarHBondContact N-O 2.83Å; A84-L233 VanDerWaalsContact O-CB 3.29Å; A84-L233 WeakPolarHBondContact O-CB 3.49Å; A84-L233 WeakPolarHBondContact O-CG 3.24Å; A84-L233 PolarHBondContact O-N 3.37Å; A84-F301 WeakPolarHBondContact CA-O 3.3Å |
| 85 | Y | 95.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 21.4 Ų | 21.4 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 160.5 | -176.5 | -179.5 | -96.9 | 0 | 0 | 0 | 111.6 | L233 L259 F301 I302 C303 T317 F320 | Y85-L233 HydrophobicContact CD2-CD1 3.84Å; Y85-L233 HydrophobicContact CG-CD1 4.49Å; Y85-L259 HydrophobicContact CD2-CD2 4.44Å; Y85-L259 HydrophobicContact CE2-CD2 4.16Å; Y85-F301 PolarHBondContact N-O 3.21Å; Y85-I302 HydrophobicContact CD1-CG2 4.36Å; Y85-C303 PolarHBondContact O-N 3.49Å; Y85-T317 HydrophobicContact CD1-CG2 4.22Å; Y85-T317 HydrophobicContact CE1-CG2 4.42Å; Y85-F320 AromaticContact CD1-CD1 3.48Å; Y85-F320 HydrophobicContact CD1-CD1 3.48Å; Y85-F320 VanDerWaalsContact CD1-CD1 3.48Å; Y85-F320 AromaticContact CD1-CE1 3.69Å; Y85-F320 HydrophobicContact CD1-CE1 3.69Å; Y85-F320 HydrophobicContact CD1-CG 4.14Å; Y85-F320 HydrophobicContact CD1-CZ 4.48Å; Y85-F320 HydrophobicContact CD2-CD1 4.41Å; Y85-F320 AromaticContact CD2-CE1 3.83Å; Y85-F320 HydrophobicContact CD2-CE1 3.83Å; Y85-F320 AromaticContact CD2-CZ 3.99Å; Y85-F320 HydrophobicContact CD2-CZ 3.99Å; Y85-F320 HydrophobicContact CE1-CB 3.84Å; Y85-F320 AromaticContact CE1-CD1 3.32Å; Y85-F320 HydrophobicContact CE1-CD1 3.32Å; Y85-F320 HydrophobicContact CE1-CD2 4.04Å; Y85-F320 AromaticContact CE1-CE1 3.74Å; Y85-F320 HydrophobicContact CE1-CE1 3.74Å; Y85-F320 HydrophobicContact CE1-CE2 4.4Å; Y85-F320 AromaticContact CE1-CG 3.48Å; Y85-F320 HydrophobicContact CE1-CG 3.48Å; Y85-F320 VanDerWaalsContact CE1-CG 3.48Å; Y85-F320 HydrophobicContact CE1-CZ 4.25Å; Y85-F320 HydrophobicContact CE2-CD1 4.28Å; Y85-F320 HydrophobicContact CE2-CD2 4.38Å; Y85-F320 AromaticContact CE2-CE1 3.87Å; Y85-F320 HydrophobicContact CE2-CE1 3.87Å; Y85-F320 AromaticContact CE2-CE2 3.99Å; Y85-F320 HydrophobicContact CE2-CE2 3.99Å; Y85-F320 AromaticContact CE2-CZ 3.71Å; Y85-F320 HydrophobicContact CE2-CZ 3.71Å; Y85-F320 HydrophobicContact CG-CD1 4.04Å; Y85-F320 AromaticContact CG-CE1 3.73Å; Y85-F320 HydrophobicContact CG-CE1 3.73Å; Y85-F320 HydrophobicContact CG-CZ 4.36Å; Y85-F320 AromaticContact CZ-CD1 3.74Å; Y85-F320 AromaticContact CZ-CD2 3.72Å; Y85-F320 AromaticContact CZ-CE1 3.82Å; Y85-F320 AromaticContact CZ-CE2 3.81Å; Y85-F320 AromaticContact CZ-CG 3.69Å; Y85-F320 AromaticContact CZ-CZ 3.85Å; Y85-F320 WeakPolarHBondContact OH-CD2 3.47Å |
| 86 | G | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 123.8 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K92 S236 | G86-K92 WeakPolarHBondContact O-CD 3.33Å; G86-K92 WeakPolarHBondContact O-CE 3.44Å; G86-K92 PolarHBondContact O-NZ 3.36Å; G86-S236 WeakPolarHBondContact CA-OG 3.5Å; G86-S236 PolarHBondContact O-N 3.27Å; G86-S236 VanDerWaalsContact O-N 3.15Å; G86-S236 PolarHBondContact O-OG 3.14Å |
| 87 | Q | 91 | Very high | 93.6 | Very high | 18 Ų | 18 | 20 Ų | 20 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -64.6 | 165.3 | -175.7 | 66.3 | 166.5 | 96.8 | 0 | 0 | 114 | S90 K92 S236 E237 N310 E313 | Q87-S90 VanDerWaalsContact O-CB 3.29Å; Q87-S90 WeakPolarHBondContact O-CB 3.48Å; Q87-S90 PolarHBondContact O-N 3.47Å; Q87-S90 PolarHBondContact O-OG 3.46Å; Q87-K92 PolarHBondContact O-NZ 2.89Å; Q87-S236 PolarHBondContact N-OG 2.69Å; Q87-E237 WeakPolarHBondContact CA-OE2 3.38Å; Q87-E237 HydrophobicContact CB-CB 4.26Å; Q87-N310 PolarHBondContact NE2-OD1 3.36Å; Q87-N310 VanDerWaalsContact OE1-CB 3.28Å; Q87-N310 VanDerWaalsContact OE1-CG 3.26Å; Q87-N310 PolarHBondContact OE1-OD1 3.49Å; Q87-E313 HydrophobicContact CB-CB 4.41Å |
| 88 | T | 89.8 | Confident | 93.7 | Very high | 31 Ų | 31 | 21 Ų | 21 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 141.2 | 165.7 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | S90 S203 G235 E237 | T88-S90 PolarHBondContact O-N 3.47Å; T88-S203 WeakPolarHBondContact OG1-CB 3.18Å; T88-G235 WeakPolarHBondContact OG1-CA 3.41Å; T88-E237 WeakPolarHBondContact CB-OE1 3.45Å; T88-E237 PolarHBondContact N-OE2 3.17Å; T88-E237 PolarHBondContact OG1-OE1 2.72Å; T88-E237 PolarHBondContact OG1-OE2 3.1Å |
| 89 | S | 89.1 | Confident | 93.6 | Very high | 83 Ų | 83 | 24.3 Ų | 24.3 | 58% | 0.58 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.8 | -173.9 | -56.5 | 0 | 0 | 0 | 0 | 114.7 | R17 | R17-S89 VanDerWaalsContact CZ-O 3.25Å; R17-S89 PolarHBondContact NE-O 3.42Å; R17-S89 PolarHBondContact NH2-O 3.21Å |
| 90 | S | 93.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -85.9 | -17.7 | 171 | 77.9 | 0 | 0 | 0 | 0 | 114.8 | R17 Q87 T88 C303 | R17-S90 WeakPolarHBondContact CG-O 3.17Å; Q87-S90 VanDerWaalsContact O-CB 3.29Å; Q87-S90 WeakPolarHBondContact O-CB 3.48Å; Q87-S90 PolarHBondContact O-N 3.47Å; Q87-S90 PolarHBondContact O-OG 3.46Å; T88-S90 PolarHBondContact O-N 3.47Å; S90-C303 WeakPolarHBondContact CB-O 3.32Å; S90-C303 VanDerWaalsContact OG-CB 3.23Å; S90-C303 WeakPolarHBondContact OG-CB 3.27Å; S90-C303 PolarHBondContact OG-O 3.42Å |
| 91 | G | 93.5 | Very high | 93 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 19% | 0.186 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 116.5 | 13.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | H94 T95 | G91-H94 PolarHBondContact O-N 3.12Å; G91-T95 WeakPolarHBondContact O-CB 3.44Å; G91-T95 PolarHBondContact O-N 3.49Å; G91-T95 PolarHBondContact O-OG1 2.8Å |
| 92 | K | 94.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.8 | -64.6 | -179.6 | -52.2 | -168.9 | -66.4 | -81 | 0 | 113.3 | A84 G86 Q87 H94 T95 M96 D232 L233 A234 C303 | A84-K92 HydrophobicContact CB-CB 3.81Å; A84-K92 HydrophobicContact CB-CG 4.35Å; G86-K92 WeakPolarHBondContact O-CD 3.33Å; G86-K92 WeakPolarHBondContact O-CE 3.44Å; G86-K92 PolarHBondContact O-NZ 3.36Å; Q87-K92 PolarHBondContact O-NZ 2.89Å; K92-H94 VanDerWaalsContact C-N 3.26Å; K92-H94 PolarHBondContact O-N 3.41Å; K92-T95 WeakPolarHBondContact O-CA 3.5Å; K92-T95 WeakPolarHBondContact O-CB 3.36Å; K92-T95 PolarHBondContact O-N 3.02Å; K92-M96 PolarHBondContact O-N 3.25Å; K92-D232 VanDerWaalsContact C-OD1 3.25Å; K92-D232 WeakPolarHBondContact CB-OD1 3.49Å; K92-L233 WeakPolarHBondContact CE-O 3.26Å; K92-A234 VanDerWaalsContact CE-O 3.27Å; K92-A234 WeakPolarHBondContact CE-O 3.34Å; K92-A234 PolarHBondContact NZ-O 2.9Å; K92-C303 HydrophobicContact CG-CB 4.08Å |
| 93 | T | 92.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.7 | -33.3 | 176.7 | -35.7 | 0 | 0 | 0 | 0 | 112.9 | T95 M96 E97 G98 D232 | T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 3.25Å; T93-M96 PolarHBondContact O-N 3.44Å; T93-E97 HydrophobicContact CG2-CG 4.34Å; T93-E97 PolarHBondContact O-N 2.88Å; T93-G98 PolarHBondContact O-N 2.69Å; T93-G98 VanDerWaalsContact O-N 3.07Å; T93-D232 WeakPolarHBondContact CA-OD2 3.41Å; T93-D232 VanDerWaalsContact CB-OD2 3.24Å; T93-D232 WeakPolarHBondContact CB-OD2 3.18Å; T93-D232 WeakPolarHBondContact CG2-OD2 3.43Å; T93-D232 PolarHBondContact N-OD1 3.4Å; T93-D232 VanDerWaalsContact N-OD1 3.16Å; T93-D232 PolarHBondContact OG1-OD2 3.23Å |
| 94 | H | 94 | Very high | 92.4 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -33.2 | 172.4 | 177.3 | -84.8 | 0 | 0 | 0 | 112.1 | Q59 G91 K92 G98 | Q59-H94 VanDerWaalsContact CD-CE1 3.49Å; Q59-H94 PolarHBondContact NE2-O 2.89Å; Q59-H94 PolarHBondContact OE1-CE1 3.3Å; Q59-H94 VanDerWaalsContact OE1-CE1 3.28Å; G91-H94 PolarHBondContact O-N 3.12Å; K92-H94 VanDerWaalsContact C-N 3.26Å; K92-H94 PolarHBondContact O-N 3.41Å; H94-G98 WeakPolarHBondContact O-CA 3.48Å; H94-G98 PolarHBondContact O-N 3.43Å |
| 95 | T | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -77.8 | -43.1 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | R15 V62 G91 K92 T93 I108 F301 | R15-T95 WeakPolarHBondContact CD-OG1 3.22Å; R15-T95 PolarHBondContact NH1-OG1 3.21Å; V62-T95 HydrophobicContact CG1-CG2 4.04Å; G91-T95 WeakPolarHBondContact O-CB 3.44Å; G91-T95 PolarHBondContact O-N 3.49Å; G91-T95 PolarHBondContact O-OG1 2.8Å; K92-T95 WeakPolarHBondContact O-CA 3.5Å; K92-T95 WeakPolarHBondContact O-CB 3.36Å; K92-T95 PolarHBondContact O-N 3.02Å; T93-T95 VanDerWaalsContact C-N 3.28Å; T93-T95 PolarHBondContact O-N 3.25Å; T95-I108 HydrophobicContact CG2-CD1 3.74Å; T95-I108 WeakPolarHBondContact O-CG1 3.46Å; T95-I108 PolarHBondContact O-N 3.26Å; T95-F301 HydrophobicContact CG2-CD1 4.11Å; T95-F301 HydrophobicContact CG2-CD2 4.42Å; T95-F301 HydrophobicContact CG2-CE1 4.37Å; T95-F301 HydrophobicContact CG2-CG 4.11Å |
| 96 | M | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73 | -52.4 | -179.1 | -62.4 | -55.1 | -67.8 | 0 | 0 | 112.7 | I82 A84 K92 T93 I108 I109 L230 D232 | I82-M96 HydrophobicContact CG2-CE 4.3Å; I82-M96 HydrophobicContact CG2-SD 4.21Å; A84-M96 HydrophobicContact CB-CG 3.61Å; A84-M96 HydrophobicContact CB-SD 3.88Å; K92-M96 PolarHBondContact O-N 3.25Å; T93-M96 PolarHBondContact O-N 3.44Å; M96-I108 PolarHBondContact O-N 3.49Å; M96-I109 HydrophobicContact CB-CD1 4.03Å; M96-I109 HydrophobicContact CB-CG1 4.47Å; M96-I109 HydrophobicContact CE-CD1 4.36Å; M96-I109 HydrophobicContact CE-CG1 4.25Å; M96-I109 WeakPolarHBondContact O-CB 3.36Å; M96-I109 WeakPolarHBondContact O-CG1 3.4Å; M96-I109 PolarHBondContact O-N 2.9Å; M96-L230 HydrophobicContact CE-CB 3.88Å; M96-D232 HydrophobicContact CB-CB 4.35Å; M96-D232 HydrophobicContact CG-CB 4.06Å |
| 97 | E | 92.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -42.1 | -175.4 | -60.9 | 174.4 | -163.4 | 0 | 0 | 112.4 | T93 L100 G107 I109 Y135 K188 | T93-E97 HydrophobicContact CG2-CG 4.34Å; T93-E97 PolarHBondContact O-N 2.88Å; E97-L100 HydrophobicContact CB-CD2 4.08Å; E97-G107 PolarHBondContact O-N 3.47Å; E97-I109 HydrophobicContact CG-CD1 4.05Å; E97-Y135 PolarHBondContact OE1-OH 2.94Å; E97-K188 WeakPolarHBondContact OE2-CD 3.26Å; E97-K188 WeakPolarHBondContact OE2-CE 3.43Å; E97-K188 IonicContact OE2-NZ 2.72Å; E97-K188 PolarHBondContact OE2-NZ 3.01Å |
| 98 | G | 92.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 45 Ų | 45 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | 62.5 | -138.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112 | T93 H94 A105 | T93-G98 PolarHBondContact O-N 2.69Å; T93-G98 VanDerWaalsContact O-N 3.07Å; H94-G98 WeakPolarHBondContact O-CA 3.48Å; H94-G98 PolarHBondContact O-N 3.43Å; G98-A105 WeakPolarHBondContact CA-O 3.5Å |
| 99 | K | 90.8 | Very high | 92.8 | Very high | 130 Ų | 130 | 44 Ų | 44 | 57% | 0.565 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -99.3 | 108.9 | 161 | -64 | -171.4 | -138.3 | 153 | 0 | 108.5 | H101 D102 A105 M106 | K99-H101 PolarHBondContact O-N 2.69Å; K99-D102 HydrophobicContact CB-CB 3.67Å; K99-D102 HydrophobicContact CD-CB 4.09Å; K99-D102 WeakPolarHBondContact CD-OD2 3.4Å; K99-D102 IonicContact NZ-OD2 2.95Å; K99-D102 PolarHBondContact NZ-OD2 3.07Å; K99-D102 PolarHBondContact O-N 2.92Å; K99-A105 HydrophobicContact CB-CB 4.08Å; K99-A105 HydrophobicContact CD-CB 4.18Å; K99-A105 HydrophobicContact CG-CB 4.12Å; K99-A105 PolarHBondContact N-O 3.46Å; K99-M106 WeakPolarHBondContact O-CA 3.35Å; K99-M106 WeakPolarHBondContact O-CB 3.27Å; K99-M106 PolarHBondContact O-N 3.27Å |
| 100 | L | 88.4 | Confident | 93 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -50.9 | -171.6 | -62.2 | 170.5 | 0 | 0 | 0 | 113 | E97 D102 M106 P110 M181 I184 D185 K188 | E97-L100 HydrophobicContact CB-CD2 4.08Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.23Å; L100-M106 WeakPolarHBondContact O-CB 3.39Å; L100-P110 HydrophobicContact CD2-CB 4.34Å; L100-P110 HydrophobicContact CD2-CG 4.1Å; L100-M181 HydrophobicContact CB-CE 4.31Å; L100-M181 HydrophobicContact CB-SD 4.31Å; L100-M181 HydrophobicContact CD2-SD 4.42Å; L100-M181 VanDerWaalsContact O-CE 3.26Å; L100-M181 WeakPolarHBondContact O-CE 3.31Å; L100-I184 HydrophobicContact CD1-CG2 3.68Å; L100-I184 HydrophobicContact CD2-CG2 4.17Å; L100-D185 VanDerWaalsContact CD1-OD1 3.28Å; L100-D185 WeakPolarHBondContact CD1-OD1 3.43Å; L100-K188 HydrophobicContact CD1-CD 4.05Å |
| 101 | H | 87.7 | Confident | 93.2 | Very high | 132 Ų | 132 | 41.1 Ų | 41.1 | 61% | 0.611 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 19.5 | -174.8 | -54.5 | -60.3 | 0 | 0 | 0 | 115 | K99 D185 | K99-H101 PolarHBondContact O-N 2.69Å; H101-D185 IonicContact CD2-OD2 3.31Å; H101-D185 IonicContact CE1-OD2 2.66Å; H101-D185 IonicContact NE2-OD2 3.37Å; H101-D185 PolarHBondContact NE2-OD2 2.72Å |
| 102 | D | 92.8 | Very high | 93.3 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | trans | -114.7 | 107.5 | 178.8 | -178.9 | -35.9 | 0 | 0 | 0 | 109.3 | K99 L100 Q104 A105 M106 | K99-D102 HydrophobicContact CB-CB 3.67Å; K99-D102 HydrophobicContact CD-CB 4.09Å; K99-D102 WeakPolarHBondContact CD-OD2 3.4Å; K99-D102 IonicContact NZ-OD2 2.95Å; K99-D102 PolarHBondContact NZ-OD2 3.07Å; K99-D102 PolarHBondContact O-N 2.92Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.23Å; D102-Q104 PolarHBondContact O-N 3.33Å; D102-Q104 PolarHBondContact OD1-N 3.27Å; D102-Q104 VanDerWaalsContact OD1-N 3.1Å; D102-A105 HydrophobicContact CB-CB 3.97Å; D102-A105 VanDerWaalsContact CG-CB 3.44Å; D102-A105 PolarHBondContact O-N 2.89Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 2.82Å; D102-A105 WeakPolarHBondContact OD2-CB 3.45Å; D102-M106 VanDerWaalsContact O-CB 3.23Å; D102-M106 WeakPolarHBondContact O-CB 3.29Å; D102-M106 WeakPolarHBondContact O-CG 3.4Å; D102-M106 PolarHBondContact O-N 2.8Å | ||
| 103 | P | 90.6 | Very high | 93.3 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 63% | 0.63 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24 | -173.4 | -29.6 | 36.4 | 0 | 0 | 0 | 115.5 | R111 | P103-R111 PolarHBondContact O-NH2 2.99Š|
| 104 | Q | 91.5 | Very high | 93.4 | Very high | 167 Ų | 167 | 40.8 Ų | 40.8 | 78% | 0.78 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -40.9 | 177.3 | -63.9 | -175.1 | -3 | 0 | 0 | 111.9 | D102 R111 | D102-Q104 PolarHBondContact O-N 3.33Å; D102-Q104 PolarHBondContact OD1-N 3.27Å; D102-Q104 VanDerWaalsContact OD1-N 3.1Å; Q104-R111 PolarHBondContact O-NH2 3.12Å |
| 105 | A | 92.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q59 G98 K99 D102 | Q59-A105 PolarHBondContact NE2-O 2.74Å; G98-A105 WeakPolarHBondContact CA-O 3.5Å; K99-A105 HydrophobicContact CB-CB 4.08Å; K99-A105 HydrophobicContact CD-CB 4.18Å; K99-A105 HydrophobicContact CG-CB 4.12Å; K99-A105 PolarHBondContact N-O 3.46Å; D102-A105 HydrophobicContact CB-CB 3.97Å; D102-A105 VanDerWaalsContact CG-CB 3.44Å; D102-A105 PolarHBondContact O-N 2.89Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 2.82Å; D102-A105 WeakPolarHBondContact OD2-CB 3.45Å |
| 106 | M | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -62.9 | 137.1 | 174.4 | 69 | 148.1 | 118 | 0 | 0 | 111.7 | Q59 K99 L100 D102 P110 R111 | Q59-M106 WeakPolarHBondContact CB-O 3.33Å; K99-M106 WeakPolarHBondContact O-CA 3.35Å; K99-M106 WeakPolarHBondContact O-CB 3.27Å; K99-M106 PolarHBondContact O-N 3.27Å; L100-M106 WeakPolarHBondContact O-CB 3.39Å; D102-M106 VanDerWaalsContact O-CB 3.23Å; D102-M106 WeakPolarHBondContact O-CB 3.29Å; D102-M106 WeakPolarHBondContact O-CG 3.4Å; D102-M106 PolarHBondContact O-N 2.8Å; M106-P110 HydrophobicContact CB-CB 4.25Å; M106-P110 HydrophobicContact CB-CG 3.69Å; M106-P110 HydrophobicContact CG-CG 4.34Å; M106-P110 HydrophobicContact SD-CB 3.88Å; M106-P110 HydrophobicContact SD-CG 4.09Å; M106-R111 HydrophobicContact CG-CG 4.06Å; M106-R111 PolarHBondContact O-NE 3.21Å; M106-R111 PolarHBondContact O-NH2 3.13Å; M106-R111 HydrophobicContact SD-CG 3.54Å; M106-R111 VanDerWaalsContact SD-CG 3.54Å |
| 107 | G | 95.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -84.7 | -156.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E97 P110 R111 | E97-G107 PolarHBondContact O-N 3.47Å; G107-P110 WeakPolarHBondContact O-CG 3.44Å; G107-R111 WeakPolarHBondContact O-CD 3.43Å; G107-R111 WeakPolarHBondContact O-CG 3.41Å | ||
| 108 | I | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -51 | -176.9 | -70.1 | 171.3 | 0 | 0 | 0 | 112.5 | V62 A67 I82 T95 M96 R111 I112 F301 | V62-I108 HydrophobicContact CG1-CD1 4.21Å; V62-I108 HydrophobicContact CG1-CG1 4.46Å; A67-I108 HydrophobicContact CB-CG2 3.96Å; I82-I108 HydrophobicContact CD1-CG2 4.03Å; I82-I108 HydrophobicContact CG2-CD1 4.37Å; T95-I108 HydrophobicContact CG2-CD1 3.74Å; T95-I108 WeakPolarHBondContact O-CG1 3.46Å; T95-I108 PolarHBondContact O-N 3.26Å; M96-I108 PolarHBondContact O-N 3.49Å; I108-R111 PolarHBondContact O-N 3.41Å; I108-I112 HydrophobicContact CG2-CD1 3.41Å; I108-I112 VanDerWaalsContact CG2-CD1 3.41Å; I108-I112 HydrophobicContact CG2-CG1 4.03Å; I108-I112 WeakPolarHBondContact O-CB 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.37Å; I108-F301 HydrophobicContact CD1-CD2 3.92Å; I108-F301 HydrophobicContact CD1-CE2 3.28Å; I108-F301 HydrophobicContact CD1-CZ 3.62Å |
| 109 | I | 94.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55 | -52.8 | -176.9 | -59.7 | 167.8 | 0 | 0 | 0 | 112.6 | M96 E97 R111 I112 A113 I184 F209 L230 | M96-I109 HydrophobicContact CB-CD1 4.03Å; M96-I109 HydrophobicContact CB-CG1 4.47Å; M96-I109 HydrophobicContact CE-CD1 4.36Å; M96-I109 HydrophobicContact CE-CG1 4.25Å; M96-I109 WeakPolarHBondContact O-CB 3.36Å; M96-I109 WeakPolarHBondContact O-CG1 3.4Å; M96-I109 PolarHBondContact O-N 2.9Å; E97-I109 HydrophobicContact CG-CD1 4.05Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 3.17Å; I109-I112 WeakPolarHBondContact O-CB 3.35Å; I109-I112 PolarHBondContact O-N 3.42Å; I109-A113 PolarHBondContact O-N 2.85Å; I109-I184 HydrophobicContact CG2-CD1 3.52Å; I109-F209 HydrophobicContact CG2-CD1 4.17Å; I109-F209 HydrophobicContact CG2-CE1 4.43Å; I109-L230 HydrophobicContact CB-CD1 4.27Å; I109-L230 HydrophobicContact CD1-CB 4.35Å; I109-L230 HydrophobicContact CG1-CB 3.99Å; I109-L230 HydrophobicContact CG1-CD1 3.82Å; I109-L230 HydrophobicContact CG1-CG 4.48Å; I109-L230 HydrophobicContact CG2-CD1 4.16Å |
| 110 | P | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -34.7 | 179.3 | 25.6 | -36.2 | 0 | 0 | 0 | 113.2 | L100 M106 G107 A113 Q114 M181 | L100-P110 HydrophobicContact CD2-CB 4.34Å; L100-P110 HydrophobicContact CD2-CG 4.1Å; M106-P110 HydrophobicContact CB-CB 4.25Å; M106-P110 HydrophobicContact CB-CG 3.69Å; M106-P110 HydrophobicContact CG-CG 4.34Å; M106-P110 HydrophobicContact SD-CB 3.88Å; M106-P110 HydrophobicContact SD-CG 4.09Å; G107-P110 WeakPolarHBondContact O-CG 3.44Å; P110-A113 WeakPolarHBondContact O-CB 3.38Å; P110-A113 PolarHBondContact O-N 2.78Å; P110-Q114 PolarHBondContact O-N 3.08Å; P110-M181 HydrophobicContact CB-CE 3.51Å; P110-M181 HydrophobicContact CB-SD 3.71Å |
| 111 | R | 96.2 | Very high | 93.1 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 9% | 0.087 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | 174.2 | -68.5 | 176 | -170.2 | -74.5 | -7.8 | 112.2 | Y63 P103 Q104 M106 G107 I108 I109 Q114 D115 | Y63-R111 HydrophobicContact CD1-CB 4.2Å; Y63-R111 HydrophobicContact CD2-CB 3.56Å; Y63-R111 HydrophobicContact CE1-CB 4.4Å; Y63-R111 HydrophobicContact CE2-CB 3.84Å; Y63-R111 HydrophobicContact CG-CB 3.81Å; Y63-R111 HydrophobicContact CG-CG 4.4Å; P103-R111 PolarHBondContact O-NH2 2.99Å; Q104-R111 PolarHBondContact O-NH2 3.12Å; M106-R111 HydrophobicContact CG-CG 4.06Å; M106-R111 PolarHBondContact O-NE 3.21Å; M106-R111 PolarHBondContact O-NH2 3.13Å; M106-R111 HydrophobicContact SD-CG 3.54Å; M106-R111 VanDerWaalsContact SD-CG 3.54Å; G107-R111 WeakPolarHBondContact O-CD 3.43Å; G107-R111 WeakPolarHBondContact O-CG 3.41Å; I108-R111 PolarHBondContact O-N 3.41Å; I109-R111 VanDerWaalsContact C-N 3.34Å; I109-R111 PolarHBondContact O-N 3.17Å; R111-Q114 PolarHBondContact O-N 2.88Å; R111-D115 WeakPolarHBondContact O-CB 3.49Å; R111-D115 PolarHBondContact O-N 3.03Å |
| 112 | I | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 172.4 | -75.4 | 178.7 | 0 | 0 | 0 | 110.7 | Y63 A67 V71 I82 I108 I109 I116 I211 L228 L230 | Y63-I112 HydrophobicContact CD2-CG1 4.48Å; Y63-I112 HydrophobicContact CE2-CG1 3.72Å; A67-I112 HydrophobicContact CB-CD1 4.27Å; A67-I112 HydrophobicContact CB-CG1 4.42Å; V71-I112 HydrophobicContact CG2-CB 4.23Å; V71-I112 HydrophobicContact CG2-CD1 4.48Å; V71-I112 HydrophobicContact CG2-CG1 3.8Å; V71-I112 HydrophobicContact CG2-CG2 4.01Å; I82-I112 HydrophobicContact CD1-CD1 3.78Å; I108-I112 HydrophobicContact CG2-CD1 3.41Å; I108-I112 VanDerWaalsContact CG2-CD1 3.41Å; I108-I112 HydrophobicContact CG2-CG1 4.03Å; I108-I112 WeakPolarHBondContact O-CB 3.47Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.36Å; I108-I112 PolarHBondContact O-N 3.37Å; I109-I112 WeakPolarHBondContact O-CB 3.35Å; I109-I112 PolarHBondContact O-N 3.42Å; I112-I116 HydrophobicContact CG2-CD1 3.51Å; I112-I116 HydrophobicContact CG2-CG1 4.29Å; I112-I116 WeakPolarHBondContact O-CB 3.4Å; I112-I116 WeakPolarHBondContact O-CD1 3.47Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 2.71Å; I112-I211 HydrophobicContact CG2-CD1 3.79Å; I112-L228 HydrophobicContact CD1-CD2 4.28Å; I112-L228 HydrophobicContact CG2-CD2 3.74Å; I112-L230 HydrophobicContact CD1-CD1 3.93Å; I112-L230 HydrophobicContact CD1-CD2 3.59Å; I112-L230 HydrophobicContact CD1-CG 4.44Å; I112-L230 HydrophobicContact CG2-CD1 4.18Å |
| 113 | A | 94.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I109 P110 I116 F117 V180 | I109-A113 PolarHBondContact O-N 2.85Å; P110-A113 WeakPolarHBondContact O-CB 3.38Å; P110-A113 PolarHBondContact O-N 2.78Å; A113-I116 PolarHBondContact O-N 2.74Å; A113-F117 VanDerWaalsContact O-CD2 3.31Å; A113-F117 WeakPolarHBondContact O-CD2 3.46Å; A113-F117 PolarHBondContact O-N 3.33Å; A113-V180 HydrophobicContact CB-CB 4.11Å; A113-V180 HydrophobicContact CB-CG1 3.68Å |
| 114 | Q | 93.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 43 Ų | 43 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -55 | 176.5 | -178.7 | 175.9 | -7.5 | 0 | 0 | 112.1 | P110 R111 I116 F117 E118 | P110-Q114 PolarHBondContact O-N 3.08Å; R111-Q114 PolarHBondContact O-N 2.88Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.47Å; Q114-F117 PolarHBondContact O-N 2.74Å; Q114-E118 HydrophobicContact CG-CG 4.26Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 3.11Å; Q114-E118 WeakPolarHBondContact O-CB 3.43Å; Q114-E118 WeakPolarHBondContact O-CG 3.34Å; Q114-E118 PolarHBondContact O-N 3.22Å |
| 115 | D | 94.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | -178.6 | -105.3 | 57.8 | 0 | 0 | 0 | 112.5 | Y63 K68 V71 R111 H119 | Y63-D115 WeakPolarHBondContact OH-CB 3.21Å; Y63-D115 PolarHBondContact OH-OD2 2.88Å; K68-D115 WeakPolarHBondContact CE-OD2 3.36Å; K68-D115 WeakPolarHBondContact CG-OD2 3.46Å; K68-D115 IonicContact NZ-OD1 2.62Å; K68-D115 PolarHBondContact NZ-OD1 3.02Å; K68-D115 IonicContact NZ-OD2 2.78Å; K68-D115 PolarHBondContact NZ-OD2 3.47Å; V71-D115 HydrophobicContact CG1-CB 4.34Å; R111-D115 WeakPolarHBondContact O-CB 3.49Å; R111-D115 PolarHBondContact O-N 3.03Å; D115-H119 PolarHBondContact O-N 3.34Å; D115-H119 PolarHBondContact O-ND1 3.23Å; D115-H119 IonicContact OD2-CE1 3.6Å |
| 116 | I | 94.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -52.5 | 177.3 | -77.1 | 164.4 | 0 | 0 | 0 | 110.4 | V71 I112 A113 Q114 H119 I120 I131 I211 I213 | V71-I116 HydrophobicContact CG1-CG1 3.78Å; I112-I116 HydrophobicContact CG2-CD1 3.51Å; I112-I116 HydrophobicContact CG2-CG1 4.29Å; I112-I116 WeakPolarHBondContact O-CB 3.4Å; I112-I116 WeakPolarHBondContact O-CD1 3.47Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 2.71Å; A113-I116 PolarHBondContact O-N 2.74Å; Q114-I116 VanDerWaalsContact C-N 3.3Å; Q114-I116 PolarHBondContact O-N 3.47Å; I116-H119 PolarHBondContact O-N 3.27Å; I116-I120 HydrophobicContact CG2-CD1 3.8Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 2.85Å; I116-I131 HydrophobicContact CG2-CD1 4Å; I116-I211 HydrophobicContact CD1-CD1 3.87Å; I116-I211 HydrophobicContact CD1-CG2 4.27Å; I116-I213 HydrophobicContact CD1-CD1 3.93Å; I116-I213 HydrophobicContact CG1-CD1 4.05Å; I116-I213 HydrophobicContact CG2-CD1 3.87Å |
| 117 | F | 93.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.9 | -37.8 | -179.4 | -76.1 | -74.5 | 0 | 0 | 0 | 111.9 | A113 Q114 H119 I120 F121 I131 V174 T175 S176 P177 V180 | A113-F117 VanDerWaalsContact O-CD2 3.31Å; A113-F117 WeakPolarHBondContact O-CD2 3.46Å; A113-F117 PolarHBondContact O-N 3.33Å; Q114-F117 PolarHBondContact O-N 2.74Å; F117-H119 VanDerWaalsContact C-N 3.34Å; F117-H119 PolarHBondContact O-N 3.34Å; F117-I120 PolarHBondContact O-N 3.3Å; F117-F121 HydrophobicContact CB-CD2 4.38Å; F117-F121 HydrophobicContact CB-CE2 3.85Å; F117-F121 HydrophobicContact CB-CZ 4.25Å; F117-F121 HydrophobicContact CD1-CZ 4.11Å; F117-F121 WeakPolarHBondContact O-CD2 3.47Å; F117-F121 VanDerWaalsContact O-CG 3.22Å; F117-F121 WeakPolarHBondContact O-CG 3.15Å; F117-F121 PolarHBondContact O-N 3.33Å; F117-I131 HydrophobicContact CD1-CD1 4.18Å; F117-I131 HydrophobicContact CE1-CD1 3.49Å; F117-I131 VanDerWaalsContact CE1-CD1 3.49Å; F117-I131 HydrophobicContact CE2-CD1 4.23Å; F117-I131 HydrophobicContact CZ-CD1 3.53Å; F117-V174 HydrophobicContact CZ-CG2 4.5Å; F117-T175 VanDerWaalsContact CE1-O 3.24Å; F117-T175 WeakPolarHBondContact CE1-O 3.32Å; F117-S176 VanDerWaalsContact CE2-O 3.29Å; F117-S176 WeakPolarHBondContact CE2-O 3.49Å; F117-S176 VanDerWaalsContact CZ-C 3.49Å; F117-P177 HydrophobicContact CB-CG 3.88Å; F117-P177 HydrophobicContact CD2-CB 4.26Å; F117-P177 HydrophobicContact CD2-CG 3.67Å; F117-P177 HydrophobicContact CG-CG 3.98Å; F117-V180 HydrophobicContact CE2-CG2 3.99Å |
| 118 | E | 92.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 173.4 | -76.4 | -177 | -174.6 | 0 | 0 | 113 | Q114 A122 | Q114-E118 HydrophobicContact CG-CG 4.26Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.49Å; Q114-E118 PolarHBondContact NE2-OE1 3.11Å; Q114-E118 WeakPolarHBondContact O-CB 3.43Å; Q114-E118 WeakPolarHBondContact O-CG 3.34Å; Q114-E118 PolarHBondContact O-N 3.22Å; E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 2.76Å |
| 119 | H | 89.5 | Confident | 91 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.4 | -40 | 174.5 | -74.4 | 76.7 | 0 | 0 | 0 | 111.4 | L75 D115 I116 F117 A122 M123 | L75-H119 HydrophobicContact CD1-CB 3.55Å; D115-H119 PolarHBondContact O-N 3.34Å; D115-H119 PolarHBondContact O-ND1 3.23Å; D115-H119 IonicContact OD2-CE1 3.6Å; I116-H119 PolarHBondContact O-N 3.27Å; F117-H119 VanDerWaalsContact C-N 3.34Å; F117-H119 PolarHBondContact O-N 3.34Å; H119-A122 CarbonylContact O-C 3.56Å; H119-A122 PolarHBondContact O-N 3.3Å; H119-A122 VanDerWaalsContact O-N 3.08Å; H119-M123 HydrophobicContact CB-CE 4.41Å; H119-M123 VanDerWaalsContact O-CG 3.26Å; H119-M123 WeakPolarHBondContact O-CG 3.34Å; H119-M123 PolarHBondContact O-N 2.81Å; H119-M123 VanDerWaalsContact O-N 3.13Å |
| 120 | I | 89.6 | Confident | 91 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.3 | -73 | 168.7 | 0 | 0 | 0 | 111.5 | L75 I116 F117 A122 M123 F129 I131 | L75-I120 HydrophobicContact CD2-CD1 4.28Å; L75-I120 HydrophobicContact CD2-CG1 4.11Å; I116-I120 HydrophobicContact CG2-CD1 3.8Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 2.85Å; F117-I120 PolarHBondContact O-N 3.3Å; I120-A122 PolarHBondContact O-N 3.23Å; I120-M123 PolarHBondContact O-N 3.02Å; I120-F129 HydrophobicContact CB-CD2 4.44Å; I120-F129 HydrophobicContact CD1-CB 4.2Å; I120-F129 HydrophobicContact CD1-CD1 3.72Å; I120-F129 HydrophobicContact CD1-CE1 4.24Å; I120-F129 HydrophobicContact CD1-CG 3.89Å; I120-F129 HydrophobicContact CG1-CD1 3.81Å; I120-F129 HydrophobicContact CG1-CD2 4.13Å; I120-F129 HydrophobicContact CG1-CE1 3.89Å; I120-F129 HydrophobicContact CG1-CE2 4.2Å; I120-F129 HydrophobicContact CG1-CG 3.94Å; I120-F129 HydrophobicContact CG1-CZ 4.1Å; I120-F129 HydrophobicContact CG2-CB 4.34Å; I120-F129 HydrophobicContact CG2-CD2 3.66Å; I120-F129 HydrophobicContact CG2-CE2 4.13Å; I120-F129 HydrophobicContact CG2-CG 3.99Å; I120-I131 HydrophobicContact CD1-CD1 3.71Å; I120-I131 HydrophobicContact CD1-CG1 4.35Å |
| 121 | F | 89.2 | Confident | 91.1 | Very high | 151 Ų | 151 | 57.5 Ų | 57.5 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -6.5 | 174.6 | -57.6 | -39.2 | 0 | 0 | 0 | 114 | F117 | F117-F121 HydrophobicContact CB-CD2 4.38Å; F117-F121 HydrophobicContact CB-CE2 3.85Å; F117-F121 HydrophobicContact CB-CZ 4.25Å; F117-F121 HydrophobicContact CD1-CZ 4.11Å; F117-F121 WeakPolarHBondContact O-CD2 3.47Å; F117-F121 VanDerWaalsContact O-CG 3.22Å; F117-F121 WeakPolarHBondContact O-CG 3.15Å; F117-F121 PolarHBondContact O-N 3.33Å |
| 122 | A | 89.5 | Confident | 91.2 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 69% | 0.694 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 8.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | E118 H119 I120 | E118-A122 WeakPolarHBondContact O-CB 3.44Å; E118-A122 PolarHBondContact O-N 2.76Å; H119-A122 CarbonylContact O-C 3.56Å; H119-A122 PolarHBondContact O-N 3.3Å; H119-A122 VanDerWaalsContact O-N 3.08Å; I120-A122 PolarHBondContact O-N 3.23Å |
| 123 | M | 85.6 | Confident | 91.2 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -94.1 | 174.3 | 177.8 | -84.8 | 171.6 | 176.4 | 0 | 0 | 112.2 | L75 H119 I120 L127 F129 | L75-M123 HydrophobicContact CB-CE 4.25Å; L75-M123 HydrophobicContact CD1-CE 4.26Å; H119-M123 HydrophobicContact CB-CE 4.41Å; H119-M123 VanDerWaalsContact O-CG 3.26Å; H119-M123 WeakPolarHBondContact O-CG 3.34Å; H119-M123 PolarHBondContact O-N 2.81Å; H119-M123 VanDerWaalsContact O-N 3.13Å; I120-M123 PolarHBondContact O-N 3.02Å; M123-L127 HydrophobicContact CB-CD1 4.26Å; M123-F129 HydrophobicContact CB-CE2 4.39Å; M123-F129 HydrophobicContact SD-CE1 4.29Å; M123-F129 HydrophobicContact SD-CE2 4.26Å; M123-F129 HydrophobicContact SD-CZ 3.53Å; M123-F129 VanDerWaalsContact SD-CZ 3.53Å |
| 124 | D | 78.4 | Confident | 91.4 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -62.1 | 135.6 | -179.8 | -169.6 | -20.4 | 0 | 0 | 0 | 111.5 | N126 L127 | D124-N126 PolarHBondContact O-N 2.93Å; D124-N126 VanDerWaalsContact O-N 3.11Å; D124-N126 WeakPolarHBondContact OD1-CB 3.33Å; D124-N126 PolarHBondContact OD1-N 2.94Å; D124-L127 HydrophobicContact CB-CD1 4.08Å; D124-L127 HydrophobicContact CB-CG 4.32Å; D124-L127 WeakPolarHBondContact O-CB 3.45Å; D124-L127 PolarHBondContact O-N 3.48Å | ||
| 125 | E | 83.4 | Confident | 91.6 | Very high | 197 Ų | 197 | 55.3 Ų | 55.3 | 92% | 0.921 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.6 | 175.7 | -62.7 | -176.3 | 178.8 | 0 | 0 | 112.2 | L127 | E125-L127 PolarHBondContact O-N 3.16Š|
| 126 | N | 87.8 | Confident | 91.6 | Very high | 49 Ų | 49 | 55 Ų | 55 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 3.5 | 174.1 | -75.8 | -41.2 | 0 | 0 | 0 | 115.1 | D124 N217 V218 E219 | D124-N126 PolarHBondContact O-N 2.93Å; D124-N126 VanDerWaalsContact O-N 3.11Å; D124-N126 WeakPolarHBondContact OD1-CB 3.33Å; D124-N126 PolarHBondContact OD1-N 2.94Å; N126-N217 CarbonylContact O-C 3.59Å; N126-N217 WeakPolarHBondContact O-CA 3.31Å; N126-N217 PolarHBondContact O-ND2 3.36Å; N126-V218 PolarHBondContact O-N 3.2Å; N126-E219 HydrophobicContact CB-CG 4.42Å; N126-E219 PolarHBondContact ND2-OE1 3.41Å |
| 127 | L | 89.8 | Confident | 91.6 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 110 | 179.2 | -68.8 | 167.6 | 0 | 0 | 0 | 112 | M123 D124 E125 F129 N217 | M123-L127 HydrophobicContact CB-CD1 4.26Å; D124-L127 HydrophobicContact CB-CD1 4.08Å; D124-L127 HydrophobicContact CB-CG 4.32Å; D124-L127 WeakPolarHBondContact O-CB 3.45Å; D124-L127 PolarHBondContact O-N 3.48Å; E125-L127 PolarHBondContact O-N 3.16Å; L127-F129 HydrophobicContact CB-CD2 4.3Å; L127-F129 HydrophobicContact CB-CE2 3.51Å; L127-F129 HydrophobicContact CB-CZ 4Å; L127-F129 HydrophobicContact CD1-CE2 4.45Å; L127-F129 HydrophobicContact CD1-CZ 4.29Å; L127-F129 VanDerWaalsContact O-CD2 3.31Å; L127-F129 WeakPolarHBondContact O-CD2 3.18Å; L127-N217 HydrophobicContact CD2-CB 3.75Å |
| 128 | E | 91.3 | Very high | 91.5 | Very high | 99 Ų | 99 | 54.6 Ų | 54.6 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123 | 173.6 | -174.1 | 178.2 | -163.6 | 0 | 0 | 110.8 | H130 Q215 E216 V218 | E128-H130 IonicContact OE1-CE1 3.27Å; E128-H130 PolarHBondContact OE1-CE1 3.25Å; E128-Q215 CarbonylContact O-C 3.59Å; E128-Q215 VanDerWaalsContact O-CA 3.3Å; E128-Q215 WeakPolarHBondContact O-CA 3.12Å; E128-E216 PolarHBondContact N-O 2.93Å; E128-E216 PolarHBondContact O-N 3.03Å; E128-V218 HydrophobicContact CB-CG2 4.49Å |
| 129 | F | 93.1 | Very high | 91.4 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.2 | -178.4 | -71.1 | -89.8 | 0 | 0 | 0 | 112.9 | L75 I120 M123 L127 I213 Q215 | L75-F129 HydrophobicContact CD2-CE1 4.31Å; I120-F129 HydrophobicContact CB-CD2 4.44Å; I120-F129 HydrophobicContact CD1-CB 4.2Å; I120-F129 HydrophobicContact CD1-CD1 3.72Å; I120-F129 HydrophobicContact CD1-CE1 4.24Å; I120-F129 HydrophobicContact CD1-CG 3.89Å; I120-F129 HydrophobicContact CG1-CD1 3.81Å; I120-F129 HydrophobicContact CG1-CD2 4.13Å; I120-F129 HydrophobicContact CG1-CE1 3.89Å; I120-F129 HydrophobicContact CG1-CE2 4.2Å; I120-F129 HydrophobicContact CG1-CG 3.94Å; I120-F129 HydrophobicContact CG1-CZ 4.1Å; I120-F129 HydrophobicContact CG2-CB 4.34Å; I120-F129 HydrophobicContact CG2-CD2 3.66Å; I120-F129 HydrophobicContact CG2-CE2 4.13Å; I120-F129 HydrophobicContact CG2-CG 3.99Å; M123-F129 HydrophobicContact CB-CE2 4.39Å; M123-F129 HydrophobicContact SD-CE1 4.29Å; M123-F129 HydrophobicContact SD-CE2 4.26Å; M123-F129 HydrophobicContact SD-CZ 3.53Å; M123-F129 VanDerWaalsContact SD-CZ 3.53Å; L127-F129 HydrophobicContact CB-CD2 4.3Å; L127-F129 HydrophobicContact CB-CE2 3.51Å; L127-F129 HydrophobicContact CB-CZ 4Å; L127-F129 HydrophobicContact CD1-CE2 4.45Å; L127-F129 HydrophobicContact CD1-CZ 4.29Å; L127-F129 VanDerWaalsContact O-CD2 3.31Å; L127-F129 WeakPolarHBondContact O-CD2 3.18Å; F129-I213 HydrophobicContact CD1-CG2 4.06Å; F129-Q215 HydrophobicContact CD1-CB 3.64Å; F129-Q215 HydrophobicContact CE1-CB 3.46Å; F129-Q215 VanDerWaalsContact CE1-CB 3.46Å; F129-Q215 HydrophobicContact CE1-CG 4.32Å; F129-Q215 VanDerWaalsContact CE1-OE1 3.25Å; F129-Q215 HydrophobicContact CG-CB 4.39Å; F129-Q215 HydrophobicContact CZ-CB 4.08Å |
| 130 | H | 94.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 95.5 | 176.3 | -80.6 | 81.1 | 0 | 0 | 0 | 109.3 | E128 K214 | E128-H130 IonicContact OE1-CE1 3.27Å; E128-H130 PolarHBondContact OE1-CE1 3.25Å; H130-K214 HydrophobicContact CB-CB 4.02Å; H130-K214 PolarHBondContact N-O 3.02Å; H130-K214 PolarHBondContact O-N 2.85Å |
| 131 | I | 96.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132 | 179.1 | -50.6 | 171 | 0 | 0 | 0 | 110 | I116 F117 I120 F173 V174 I211 I213 | I116-I131 HydrophobicContact CG2-CD1 4Å; F117-I131 HydrophobicContact CD1-CD1 4.18Å; F117-I131 HydrophobicContact CE1-CD1 3.49Å; F117-I131 VanDerWaalsContact CE1-CD1 3.49Å; F117-I131 HydrophobicContact CE2-CD1 4.23Å; F117-I131 HydrophobicContact CZ-CD1 3.53Å; I120-I131 HydrophobicContact CD1-CD1 3.71Å; I120-I131 HydrophobicContact CD1-CG1 4.35Å; I131-F173 WeakPolarHBondContact O-CA 3.49Å; I131-V174 HydrophobicContact CB-CG2 3.95Å; I131-V174 HydrophobicContact CG2-CG2 3.56Å; I131-V174 PolarHBondContact O-N 3.07Å; I131-I211 HydrophobicContact CG2-CG2 3.85Å; I131-I213 HydrophobicContact CG1-CG2 4.47Å |
| 132 | K | 97.2 | Very high | 91.2 | Very high | 47 Ų | 47 | 51 Ų | 51 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.4 | 170.6 | -72.8 | 176 | 165 | -167.9 | 0 | 111.1 | E171 R172 F173 N212 | K132-E171 HydrophobicContact CD-CB 4.19Å; K132-E171 WeakPolarHBondContact CD-OE2 3.46Å; K132-E171 IonicContact NZ-OE2 3.11Å; K132-E171 PolarHBondContact NZ-OE2 3.36Å; K132-R172 CarbonylContact C-O 3.55Å; K132-R172 VanDerWaalsContact CA-O 3.27Å; K132-R172 WeakPolarHBondContact CA-O 3.46Å; K132-F173 HydrophobicContact CD-CE1 4.17Å; K132-F173 HydrophobicContact CD-CZ 4.36Å; K132-F173 HydrophobicContact CG-CD1 3.75Å; K132-F173 HydrophobicContact CG-CE1 3.77Å; K132-F173 HydrophobicContact CG-CG 4.3Å; K132-F173 HydrophobicContact CG-CZ 4.33Å; K132-N212 HydrophobicContact CB-CB 4.24Å; K132-N212 PolarHBondContact N-O 3.42Å; K132-N212 PolarHBondContact O-N 2.73Å |
| 133 | V | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 143.5 | 173.2 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | E171 R172 V174 V180 V183 F209 L210 I211 | V133-E171 WeakPolarHBondContact O-CA 3.36Å; V133-R172 HydrophobicContact CG2-CB 4.25Å; V133-R172 PolarHBondContact N-O 2.9Å; V133-R172 PolarHBondContact O-N 3.08Å; V133-V174 HydrophobicContact CG1-CG2 3.93Å; V133-V174 HydrophobicContact CG2-CG1 3.65Å; V133-V174 HydrophobicContact CG2-CG2 4.34Å; V133-V180 HydrophobicContact CG1-CG2 4.43Å; V133-V183 HydrophobicContact CG2-CB 4.41Å; V133-V183 HydrophobicContact CG2-CG1 3.86Å; V133-V183 HydrophobicContact CG2-CG2 4.3Å; V133-F209 HydrophobicContact CB-CE1 4.44Å; V133-F209 HydrophobicContact CB-CE2 4.48Å; V133-F209 HydrophobicContact CB-CZ 3.9Å; V133-F209 HydrophobicContact CG1-CE1 4.02Å; V133-F209 HydrophobicContact CG1-CZ 3.81Å; V133-L210 VanDerWaalsContact CA-O 3.31Å; V133-L210 WeakPolarHBondContact CA-O 3.44Å; V133-I211 HydrophobicContact CG1-CG1 4.3Å; V133-I211 HydrophobicContact CG1-CG2 4.46Å |
| 134 | S | 97.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 137.2 | 170.8 | -69.8 | 0 | 0 | 0 | 0 | 109.5 | T170 L210 | S134-T170 WeakPolarHBondContact CA-O 3.33Å; S134-T170 WeakPolarHBondContact CB-O 3.47Å; S134-T170 PolarHBondContact OG-O 2.67Å; S134-L210 PolarHBondContact N-O 3.04Å; S134-L210 PolarHBondContact O-N 3.47Å |
| 135 | Y | 97.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.9 | 179.2 | -166.2 | -164 | 0 | 0 | 0 | 109.4 | E97 L146 L147 K188 F209 | E97-Y135 PolarHBondContact OE1-OH 2.94Å; Y135-L146 HydrophobicContact CD1-CB 4.17Å; Y135-L146 HydrophobicContact CD1-CD1 4.03Å; Y135-L146 HydrophobicContact CD2-CD1 3.87Å; Y135-L146 HydrophobicContact CE1-CD1 3.97Å; Y135-L146 HydrophobicContact CE2-CD1 3.84Å; Y135-L146 HydrophobicContact CG-CB 4.21Å; Y135-L146 HydrophobicContact CG-CD1 3.97Å; Y135-L146 WeakPolarHBondContact O-CB 3.36Å; Y135-L146 PolarHBondContact O-N 2.95Å; Y135-L147 HydrophobicContact CD1-CD2 4.46Å; Y135-K188 HydrophobicContact CE1-CG 4.39Å; Y135-F209 HydrophobicContact CD1-CD2 4.1Å; Y135-F209 HydrophobicContact CD1-CE2 4.46Å; Y135-F209 HydrophobicContact CD2-CB 4.03Å; Y135-F209 AromaticContact CD2-CD2 3.72Å; Y135-F209 HydrophobicContact CD2-CD2 3.72Å; Y135-F209 HydrophobicContact CD2-CG 4.4Å; Y135-F209 HydrophobicContact CE2-CB 4.29Å; Y135-F209 HydrophobicContact CE2-CD2 4.29Å; Y135-F209 AromaticContact CG-CD2 3.62Å; Y135-F209 HydrophobicContact CG-CD2 3.62Å; Y135-F209 HydrophobicContact CG-CE2 4.26Å |
| 136 | F | 95.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.3 | -179 | 58.1 | -90.8 | 0 | 0 | 0 | 111.1 | I143 R144 V166 I208 I287 | F136-I143 HydrophobicContact CB-CG2 4.2Å; F136-I143 HydrophobicContact CD2-CG2 3.69Å; F136-I143 HydrophobicContact CE2-CG2 4.4Å; F136-I143 HydrophobicContact CG-CG2 4.2Å; F136-R144 CarbonylContact C-O 3.59Å; F136-R144 VanDerWaalsContact CA-O 3.28Å; F136-R144 WeakPolarHBondContact CA-O 3.44Å; F136-R144 VanDerWaalsContact CB-O 3.29Å; F136-R144 WeakPolarHBondContact CB-O 3.31Å; F136-V166 HydrophobicContact CE1-CG2 4.28Å; F136-V166 HydrophobicContact CE2-CG2 3.99Å; F136-V166 HydrophobicContact CZ-CG2 3.79Å; F136-I208 HydrophobicContact CD2-CB 4.19Å; F136-I208 HydrophobicContact CE1-CB 4.37Å; F136-I208 HydrophobicContact CE1-CG2 4.03Å; F136-I208 HydrophobicContact CE2-CB 3.75Å; F136-I208 HydrophobicContact CE2-CD1 3.83Å; F136-I208 HydrophobicContact CE2-CG1 4.28Å; F136-I208 HydrophobicContact CE2-CG2 4Å; F136-I208 HydrophobicContact CZ-CB 3.84Å; F136-I208 HydrophobicContact CZ-CD1 4.31Å; F136-I208 HydrophobicContact CZ-CG2 3.56Å; F136-I208 PolarHBondContact N-O 3.46Å; F136-I208 VanDerWaalsContact N-O 3.13Å; F136-I208 PolarHBondContact O-N 3.13Å; F136-I287 HydrophobicContact CE2-CD1 4.01Å; F136-I287 HydrophobicContact CZ-CD1 4.44Å |
| 137 | E | 93.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 153.6 | 174.2 | 68.4 | -177.4 | 152.7 | 0 | 0 | 112.3 | I143 R144 L146 R191 H201 S205 H206 | E137-I143 CarbonylContact O-C 3.45Å; E137-I143 WeakPolarHBondContact O-CA 3.21Å; E137-R144 HydrophobicContact CG-CB 4Å; E137-R144 PolarHBondContact N-O 3.4Å; E137-R144 PolarHBondContact O-N 3.47Å; E137-R144 IonicContact OE1-CZ 2.69Å; E137-R144 IonicContact OE1-NH1 2.86Å; E137-R144 PolarHBondContact OE1-NH1 3.38Å; E137-L146 HydrophobicContact CB-CD1 4.26Å; E137-L146 HydrophobicContact CB-CD2 4.47Å; E137-L146 HydrophobicContact CB-CG 4.43Å; E137-L146 HydrophobicContact CG-CD2 3.99Å; E137-L146 HydrophobicContact CG-CG 4.37Å; E137-R191 IonicContact OE2-NE 3.37Å; E137-R191 PolarHBondContact OE2-NE 2.9Å; E137-H201 IonicContact OE2-CE1 3.68Å; E137-H201 PolarHBondContact OE2-CE1 3.33Å; E137-H201 VanDerWaalsContact OE2-CE1 3.28Å; E137-H201 IonicContact OE2-ND1 2.81Å; E137-S205 VanDerWaalsContact OE2-CB 3.31Å; E137-S205 WeakPolarHBondContact OE2-CB 3.45Å; E137-S205 PolarHBondContact OE2-OG 2.84Å; E137-H206 CarbonylContact C-O 3.6Å; E137-H206 WeakPolarHBondContact CA-O 3Å |
| 138 | I | 92.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.6 | 171.6 | -48.5 | -174.8 | 0 | 0 | 0 | 108.1 | K142 I143 S205 H206 I208 M284 I287 | I138-K142 WeakPolarHBondContact CA-O 3.48Å; I138-I143 HydrophobicContact CG1-CG1 4.26Å; I138-S205 WeakPolarHBondContact O-CA 3.31Å; I138-H206 HydrophobicContact CB-CB 4.37Å; I138-H206 PolarHBondContact N-O 3.25Å; I138-H206 PolarHBondContact O-N 2.83Å; I138-I208 HydrophobicContact CD1-CD1 3.84Å; I138-I208 HydrophobicContact CG1-CD1 4.4Å; I138-M284 HydrophobicContact CD1-CB 3.81Å; I138-M284 HydrophobicContact CD1-CG 4.17Å; I138-I287 HydrophobicContact CD1-CD1 3.92Å |
| 139 | Y | 88.4 | Confident | 93.6 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 15% | 0.153 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.7 | 179.7 | 176.7 | -113.1 | 0 | 0 | 0 | 109.6 | E141 K142 H201 E251 | Y139-E141 VanDerWaalsContact C-N 3.26Å; Y139-E141 PolarHBondContact O-N 3.07Å; Y139-K142 PolarHBondContact N-O 3.28Å; Y139-K142 WeakPolarHBondContact O-CA 3.48Å; Y139-K142 WeakPolarHBondContact O-CB 3.34Å; Y139-K142 PolarHBondContact O-N 3.45Å; Y139-H201 AromaticContact CD1-NE2 3.32Å; Y139-H201 VanDerWaalsContact CD1-NE2 3.32Å; Y139-H201 WeakPolarHBondContact CD1-NE2 3.43Å; Y139-H201 AromaticContact CD2-CD2 3.91Å; Y139-H201 AromaticContact CD2-CE1 3.71Å; Y139-H201 AromaticContact CD2-NE2 3.49Å; Y139-H201 WeakPolarHBondContact CD2-NE2 2.99Å; Y139-H201 AromaticContact CE1-CD2 3.83Å; Y139-H201 AromaticContact CE1-NE2 3.53Å; Y139-H201 AromaticContact CE2-CD2 3.63Å; Y139-H201 AromaticContact CE2-NE2 3.68Å; Y139-H201 AromaticContact CG-CE1 3.64Å; Y139-H201 AromaticContact CG-NE2 3.28Å; Y139-H201 VanDerWaalsContact CG-NE2 3.28Å; Y139-H201 AromaticContact CZ-CD2 3.57Å; Y139-H201 AromaticContact CZ-NE2 3.69Å; Y139-E251 HydrophobicContact CE2-CG 3.83Å; Y139-E251 WeakPolarHBondContact OH-CG 3.49Å; Y139-E251 PolarHBondContact OH-OE1 3.3Å |
| 140 | M | 85 | Confident | 93.5 | Very high | 58 Ų | 58 | 31.7 Ų | 31.7 | 29% | 0.286 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 44.1 | -175 | -54.9 | -177.9 | 82.1 | 0 | 0 | 113.9 | K142 N254 | M140-K142 PolarHBondContact O-N 2.96Å; M140-N254 HydrophobicContact CB-CB 4.41Å |
| 141 | E | 89 | Confident | 93.4 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 13.8 | -173.2 | -72.4 | -64.2 | 113.5 | 0 | 0 | 115.7 | Y139 S258 S282 K283 | Y139-E141 VanDerWaalsContact C-N 3.26Å; Y139-E141 PolarHBondContact O-N 3.07Å; E141-S258 WeakPolarHBondContact OE1-CB 3.45Å; E141-S282 WeakPolarHBondContact OE1-CB 3.45Å; E141-S282 VanDerWaalsContact OE2-CA 3.29Å; E141-S282 WeakPolarHBondContact OE2-CA 3.25Å; E141-K283 WeakPolarHBondContact O-CD 3.39Å; E141-K283 WeakPolarHBondContact O-CE 3.32Å; E141-K283 PolarHBondContact O-NZ 3.32Å; E141-K283 PolarHBondContact OE2-N 3.01Å |
| 142 | K | 90.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 34.7 Ų | 34.7 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.4 | 170.8 | -60.7 | 167 | -171.3 | 168.9 | 0 | 108.2 | I138 Y139 M140 N153 | I138-K142 WeakPolarHBondContact CA-O 3.48Å; Y139-K142 PolarHBondContact N-O 3.28Å; Y139-K142 WeakPolarHBondContact O-CA 3.48Å; Y139-K142 WeakPolarHBondContact O-CB 3.34Å; Y139-K142 PolarHBondContact O-N 3.45Å; M140-K142 PolarHBondContact O-N 2.96Å; K142-N153 HydrophobicContact CB-CB 4.22Å; K142-N153 HydrophobicContact CG-CB 4.24Å |
| 143 | I | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128 | 172.1 | -58 | 169.8 | 0 | 0 | 0 | 107.4 | F136 E137 I138 N153 L154 V156 V166 K283 I287 | F136-I143 HydrophobicContact CB-CG2 4.2Å; F136-I143 HydrophobicContact CD2-CG2 3.69Å; F136-I143 HydrophobicContact CE2-CG2 4.4Å; F136-I143 HydrophobicContact CG-CG2 4.2Å; E137-I143 CarbonylContact O-C 3.45Å; E137-I143 WeakPolarHBondContact O-CA 3.21Å; I138-I143 HydrophobicContact CG1-CG1 4.26Å; I143-N153 CarbonylContact O-C 3.53Å; I143-N153 WeakPolarHBondContact O-CA 3.47Å; I143-N153 PolarHBondContact O-N 3.15Å; I143-L154 HydrophobicContact CB-CB 3.99Å; I143-L154 HydrophobicContact CG2-CB 4.06Å; I143-L154 PolarHBondContact O-N 3.49Å; I143-V156 HydrophobicContact CD1-CG2 3.61Å; I143-V166 HydrophobicContact CD1-CG1 4.1Å; I143-V166 HydrophobicContact CD1-CG2 4.11Å; I143-V166 HydrophobicContact CG2-CG1 3.97Å; I143-K283 HydrophobicContact CD1-CB 4.33Å; I143-K283 HydrophobicContact CD1-CD 3.82Å; I143-K283 HydrophobicContact CG1-CD 3.84Å; I143-I287 HydrophobicContact CD1-CD1 3.86Å |
| 144 | R | 93.6 | Very high | 92.8 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.1 | 175.7 | 173.6 | 175 | 178.1 | -110.3 | -0.6 | 108.9 | F136 E137 T152 N190 | F136-R144 CarbonylContact C-O 3.59Å; F136-R144 VanDerWaalsContact CA-O 3.28Å; F136-R144 WeakPolarHBondContact CA-O 3.44Å; F136-R144 VanDerWaalsContact CB-O 3.29Å; F136-R144 WeakPolarHBondContact CB-O 3.31Å; E137-R144 HydrophobicContact CG-CB 4Å; E137-R144 PolarHBondContact N-O 3.4Å; E137-R144 PolarHBondContact O-N 3.47Å; E137-R144 IonicContact OE1-CZ 2.69Å; E137-R144 IonicContact OE1-NH1 2.86Å; E137-R144 PolarHBondContact OE1-NH1 3.38Å; R144-T152 HydrophobicContact CG-CG2 4.44Å; R144-N190 PolarHBondContact NH1-O 3.41Å; R144-N190 PolarHBondContact NH2-O 2.87Å |
| 145 | D | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 129.8 | 172 | -161.3 | -36 | 0 | 0 | 0 | 109.2 | L147 D148 K151 L154 T170 | D145-L147 WeakPolarHBondContact OD1-CA 3.42Å; D145-L147 WeakPolarHBondContact OD1-CB 3.4Å; D145-L147 PolarHBondContact OD1-N 3.34Å; D145-D148 PolarHBondContact OD1-N 3.11Å; D145-K151 HydrophobicContact CB-CB 3.71Å; D145-K151 HydrophobicContact CB-CD 4.3Å; D145-K151 PolarHBondContact N-O 2.92Å; D145-K151 VanDerWaalsContact N-O 3.09Å; D145-L154 HydrophobicContact CB-CD1 4.18Å; D145-T170 VanDerWaalsContact OD2-CB 3.29Å; D145-T170 WeakPolarHBondContact OD2-CB 3.22Å; D145-T170 PolarHBondContact OD2-N 3.41Å; D145-T170 PolarHBondContact OD2-OG1 2.93Å |
| 146 | L | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -90.4 | -10.6 | 177 | -67.4 | 177.7 | 0 | 0 | 0 | 111.9 | Y135 E137 G187 N190 R191 | Y135-L146 HydrophobicContact CD1-CB 4.17Å; Y135-L146 HydrophobicContact CD1-CD1 4.03Å; Y135-L146 HydrophobicContact CD2-CD1 3.87Å; Y135-L146 HydrophobicContact CE1-CD1 3.97Å; Y135-L146 HydrophobicContact CE2-CD1 3.84Å; Y135-L146 HydrophobicContact CG-CB 4.21Å; Y135-L146 HydrophobicContact CG-CD1 3.97Å; Y135-L146 WeakPolarHBondContact O-CB 3.36Å; Y135-L146 PolarHBondContact O-N 2.95Å; E137-L146 HydrophobicContact CB-CD1 4.26Å; E137-L146 HydrophobicContact CB-CD2 4.47Å; E137-L146 HydrophobicContact CB-CG 4.43Å; E137-L146 HydrophobicContact CG-CD2 3.99Å; E137-L146 HydrophobicContact CG-CG 4.37Å; L146-G187 WeakPolarHBondContact O-CA 3.4Å; L146-N190 WeakPolarHBondContact O-CB 3.25Å; L146-N190 PolarHBondContact O-ND2 3.44Å; L146-R191 HydrophobicContact CD2-CB 4.03Å; L146-R191 HydrophobicContact CD2-CG 4.42Å |
| 147 | L | 95.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -102.6 | -2.8 | 179 | -52.3 | -174.2 | 0 | 0 | 0 | 113.1 | Y135 D145 T170 R172 V183 | Y135-L147 HydrophobicContact CD1-CD2 4.46Å; D145-L147 WeakPolarHBondContact OD1-CA 3.42Å; D145-L147 WeakPolarHBondContact OD1-CB 3.4Å; D145-L147 PolarHBondContact OD1-N 3.34Å; L147-T170 HydrophobicContact CB-CG2 4.22Å; L147-R172 HydrophobicContact CD1-CG 4.21Å; L147-R172 PolarHBondContact O-NH2 3.36Å; L147-V183 HydrophobicContact CD1-CG1 3.74Å; L147-V183 HydrophobicContact CD2-CG1 3.6Å; L147-V183 HydrophobicContact CG-CG1 4.33Å |
| 148 | D | 93.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | trans | -156.3 | 94.7 | 169.1 | 175.5 | -5.5 | 0 | 0 | 0 | 109.1 | D145 T150 K151 | D145-D148 PolarHBondContact OD1-N 3.11Å; D148-T150 PolarHBondContact O-N 3.02Å; D148-T150 WeakPolarHBondContact OD1-CB 3.18Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.39Å; D148-T150 PolarHBondContact OD1-N 3.08Å; D148-T150 VanDerWaalsContact OD1-N 3.07Å; D148-T150 PolarHBondContact OD1-OG1 3.34Å; D148-K151 HydrophobicContact CB-CD 3.96Å; D148-K151 HydrophobicContact CB-CG 4.35Å; D148-K151 WeakPolarHBondContact O-CB 3.36Å; D148-K151 PolarHBondContact O-N 3.05Å; D148-K151 WeakPolarHBondContact OD2-CD 3.48Å; D148-K151 WeakPolarHBondContact OD2-CE 3.37Å; D148-K151 IonicContact OD2-NZ 2.69Å; D148-K151 PolarHBondContact OD2-NZ 3.48Å | ||
| 149 | V | 88.6 | Confident | 91.7 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10.7 | -174.6 | -60.5 | 0 | 0 | 0 | 0 | 114.7 | K151 N190 | V149-K151 VanDerWaalsContact C-N 3.32Å; V149-N190 HydrophobicContact CG1-CB 3.55Å; V149-N190 VanDerWaalsContact CG1-CG 3.42Å |
| 150 | T | 89 | Confident | 91.4 | Very high | 110 Ų | 110 | 55 Ų | 55 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.2 | 174.4 | 74.8 | 0 | 0 | 0 | 0 | 112 | D148 T152 | D148-T150 PolarHBondContact O-N 3.02Å; D148-T150 WeakPolarHBondContact OD1-CB 3.18Å; D148-T150 WeakPolarHBondContact OD1-CG2 3.39Å; D148-T150 PolarHBondContact OD1-N 3.08Å; D148-T150 VanDerWaalsContact OD1-N 3.07Å; D148-T150 PolarHBondContact OD1-OG1 3.34Å; T150-T152 PolarHBondContact O-N 3.15Å; T150-T152 VanDerWaalsContact O-N 3.07Å |
| 151 | K | 92.3 | Very high | 91 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 27% | 0.265 | 30% | 0.297 | S | S | . | . | trans | -83.4 | 81.9 | -177.7 | -69 | 174.4 | -176.5 | 160.6 | 0 | 111.9 | D145 D148 V149 L154 G168 T170 | D145-K151 HydrophobicContact CB-CB 3.71Å; D145-K151 HydrophobicContact CB-CD 4.3Å; D145-K151 PolarHBondContact N-O 2.92Å; D145-K151 VanDerWaalsContact N-O 3.09Å; D148-K151 HydrophobicContact CB-CD 3.96Å; D148-K151 HydrophobicContact CB-CG 4.35Å; D148-K151 WeakPolarHBondContact O-CB 3.36Å; D148-K151 PolarHBondContact O-N 3.05Å; D148-K151 WeakPolarHBondContact OD2-CD 3.48Å; D148-K151 WeakPolarHBondContact OD2-CE 3.37Å; D148-K151 IonicContact OD2-NZ 2.69Å; D148-K151 PolarHBondContact OD2-NZ 3.48Å; V149-K151 VanDerWaalsContact C-N 3.32Å; K151-L154 HydrophobicContact CB-CD1 4.4Å; K151-L154 HydrophobicContact CB-CD2 4.17Å; K151-L154 HydrophobicContact CB-CG 4.45Å; K151-G168 WeakPolarHBondContact CD-O 3.38Å; K151-G168 WeakPolarHBondContact CE-O 3.35Å; K151-G168 PolarHBondContact NZ-O 2.83Å; K151-T170 PolarHBondContact NZ-OG1 2.92Å | ||
| 152 | T | 91.6 | Very high | 90.5 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | trans | -100 | 151.4 | 176.6 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | R144 T150 L154 | R144-T152 HydrophobicContact CG-CG2 4.44Å; T150-T152 PolarHBondContact O-N 3.15Å; T150-T152 VanDerWaalsContact O-N 3.07Å; T152-L154 PolarHBondContact O-N 2.99Å | ||
| 153 | N | 92.3 | Very high | 90.1 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 51.6 | 48.7 | -178.3 | -167 | 26.5 | 0 | 0 | 0 | 115.2 | K142 I143 K283 | K142-N153 HydrophobicContact CB-CB 4.22Å; K142-N153 HydrophobicContact CG-CB 4.24Å; I143-N153 CarbonylContact O-C 3.53Å; I143-N153 WeakPolarHBondContact O-CA 3.47Å; I143-N153 PolarHBondContact O-N 3.15Å; N153-K283 PolarHBondContact OD1-NZ 3.4Å |
| 154 | L | 95.9 | Very high | 89.8 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 160.6 | 173.1 | -60.8 | -180 | 0 | 0 | 0 | 112.4 | I143 D145 K151 T152 V166 C169 K283 | I143-L154 HydrophobicContact CB-CB 3.99Å; I143-L154 HydrophobicContact CG2-CB 4.06Å; I143-L154 PolarHBondContact O-N 3.49Å; D145-L154 HydrophobicContact CB-CD1 4.18Å; K151-L154 HydrophobicContact CB-CD1 4.4Å; K151-L154 HydrophobicContact CB-CD2 4.17Å; K151-L154 HydrophobicContact CB-CG 4.45Å; T152-L154 PolarHBondContact O-N 2.99Å; L154-V166 HydrophobicContact CB-CG1 3.64Å; L154-V166 HydrophobicContact CD1-CG1 3.88Å; L154-V166 HydrophobicContact CG-CG1 4.43Å; L154-C169 HydrophobicContact CD1-CB 3.96Å; L154-K283 PolarHBondContact O-NZ 3.48Å; L154-K283 VanDerWaalsContact O-NZ 3.07Å |
| 155 | S | 94.1 | Very high | 89.7 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.5 | -168 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | H157 K167 | S155-H157 PolarHBondContact O-N 3.31Å; S155-H157 PolarHBondContact O-ND1 2.82Å; S155-H157 PolarHBondContact OG-CE1 3.01Å; S155-H157 VanDerWaalsContact OG-CE1 3.3Å; S155-K167 PolarHBondContact O-N 3.29Å |
| 156 | V | 95.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 68.3 Ų | 68.3 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117.6 | 178.5 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | I143 P164 Y165 K283 R286 I287 | I143-V156 HydrophobicContact CD1-CG2 3.61Å; V156-P164 HydrophobicContact CG1-CB 4.17Å; V156-Y165 WeakPolarHBondContact CA-O 3.28Å; V156-K283 HydrophobicContact CG2-CB 4.02Å; V156-K283 HydrophobicContact CG2-CD 4.47Å; V156-K283 HydrophobicContact CG2-CG 4.27Å; V156-R286 HydrophobicContact CG1-CB 4.06Å; V156-R286 PolarHBondContact O-NH1 3.19Å; V156-R286 PolarHBondContact O-NH2 2.66Å; V156-I287 HydrophobicContact CG1-CG1 4.09Å; V156-I287 HydrophobicContact CG2-CD1 3.85Å; V156-I287 HydrophobicContact CG2-CG1 3.72Å |
| 157 | H | 92.6 | Very high | 89.6 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 28% | 0.282 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 163.5 | 173.4 | -75.2 | 59.7 | 0 | 0 | 0 | 109.8 | S155 P164 Y165 K167 | S155-H157 PolarHBondContact O-N 3.31Å; S155-H157 PolarHBondContact O-ND1 2.82Å; S155-H157 PolarHBondContact OG-CE1 3.01Å; S155-H157 VanDerWaalsContact OG-CE1 3.3Å; H157-P164 CarbonylContact O-C 3.59Å; H157-P164 WeakPolarHBondContact O-CA 3.48Å; H157-Y165 HydrophobicContact CB-CD1 4.27Å; H157-Y165 HydrophobicContact CB-CE1 3.66Å; H157-Y165 HydrophobicContact CB-CE2 4.1Å; H157-Y165 PolarHBondContact N-O 3.03Å; H157-Y165 PolarHBondContact O-N 3.15Å; H157-K167 HydrophobicContact CB-CB 4.42Å; H157-K167 WeakPolarHBondContact CE1-CD 3.43Å; H157-K167 WeakPolarHBondContact ND1-CB 3.5Å; H157-K167 VanDerWaalsContact NE2-CD 3.28Å; H157-K167 WeakPolarHBondContact NE2-CD 3.34Å; H157-K167 PolarHBondContact NE2-NZ 2.78Å |
| 158 | E | 89.2 | Confident | 89.4 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.1 | 173.2 | -71.1 | 156.4 | -145.5 | 0 | 0 | 107.2 | R280 R286 | E158-R280 IonicContact OE1-CZ 2.81Å; E158-R280 IonicContact OE1-NE 2.61Å; E158-R280 IonicContact OE1-NH2 2.63Å; E158-R280 PolarHBondContact OE1-NH2 2.87Å; E158-R280 IonicContact OE2-NH2 3.88Å; E158-R280 PolarHBondContact OE2-NH2 3.36Å; E158-R286 IonicContact OE1-CZ 2.71Å; E158-R286 IonicContact OE1-NE 2.63Å; E158-R286 IonicContact OE1-NH2 3.46Å; E158-R286 PolarHBondContact OE1-NH2 2.95Å |
| 159 | D | 83.4 | Confident | 89.5 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | trans | -87.9 | -174 | -179.4 | 92.8 | -28 | 0 | 0 | 0 | 112.9 | Y161 R162 V163 Y165 | D159-Y161 PolarHBondContact O-N 2.94Å; D159-Y161 VanDerWaalsContact O-N 3.13Å; D159-Y161 VanDerWaalsContact OD1-CA 3.31Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.39Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.18Å; D159-Y161 PolarHBondContact OD1-N 2.87Å; D159-R162 PolarHBondContact O-N 3.16Å; D159-R162 PolarHBondContact OD1-N 3.2Å; D159-R162 VanDerWaalsContact OD1-N 3.1Å; D159-V163 PolarHBondContact N-O 3.09Å; D159-V163 WeakPolarHBondContact OD1-CB 3.35Å; D159-V163 PolarHBondContact OD1-N 3.21Å; D159-Y165 HydrophobicContact CB-CD1 4.12Å; D159-Y165 HydrophobicContact CB-CE1 4.02Å | ||
| 160 | K | 80.6 | Confident | 89.9 | Confident | 169 Ų | 169 | 72.3 Ų | 72.3 | 74% | 0.735 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.8 | 177.6 | 52.8 | 160.6 | 169.3 | 158.9 | 0 | 114.5 | ||
| 161 | Y | 76.6 | Confident | 90.3 | Very high | 151 Ų | 151 | 71.7 Ų | 71.7 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 10.8 | 175.8 | -55.8 | -61.4 | 0 | 0 | 0 | 112.2 | D159 V163 | D159-Y161 PolarHBondContact O-N 2.94Å; D159-Y161 VanDerWaalsContact O-N 3.13Å; D159-Y161 VanDerWaalsContact OD1-CA 3.31Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.39Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.18Å; D159-Y161 PolarHBondContact OD1-N 2.87Å; Y161-V163 PolarHBondContact O-N 3.02Å |
| 162 | R | 79 | Confident | 90.5 | Very high | 202 Ų | 202 | 72 Ų | 72 | 76% | 0.762 | 35% | 0.352 | S | S | * | . | trans | 63.7 | 16.6 | -172.8 | -54.3 | -175.3 | 177.3 | -167 | -0.8 | 115 | D159 | D159-R162 PolarHBondContact O-N 3.16Å; D159-R162 PolarHBondContact OD1-N 3.2Å; D159-R162 VanDerWaalsContact OD1-N 3.1Å | ||
| 163 | V | 82.3 | Confident | 90.8 | Very high | 43 Ų | 43 | 73.7 Ų | 73.7 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | trans | -72.9 | 128.5 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | D159 Y161 | D159-V163 PolarHBondContact N-O 3.09Å; D159-V163 WeakPolarHBondContact OD1-CB 3.35Å; D159-V163 PolarHBondContact OD1-N 3.21Å; Y161-V163 PolarHBondContact O-N 3.02Å | ||
| 164 | P | 88.3 | Confident | 91 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 5% | 0.045 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.6 | -179.1 | 30.6 | -36.6 | 0 | 0 | 0 | 112.1 | V156 H157 R286 Q289 | V156-P164 HydrophobicContact CG1-CB 4.17Å; H157-P164 CarbonylContact O-C 3.59Å; H157-P164 WeakPolarHBondContact O-CA 3.48Å; P164-R286 WeakPolarHBondContact CB-O 3.41Å; P164-R286 WeakPolarHBondContact CG-O 3.32Å; P164-Q289 HydrophobicContact CG-CB 4.45Å |
| 165 | Y | 91.1 | Very high | 90.9 | Very high | 100 Ų | 100 | 73.5 Ų | 73.5 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.2 | 173.3 | 71.3 | -82.3 | 0 | 0 | 0 | 112.4 | V156 H157 D159 K167 | V156-Y165 WeakPolarHBondContact CA-O 3.28Å; H157-Y165 HydrophobicContact CB-CD1 4.27Å; H157-Y165 HydrophobicContact CB-CE1 3.66Å; H157-Y165 HydrophobicContact CB-CE2 4.1Å; H157-Y165 PolarHBondContact N-O 3.03Å; H157-Y165 PolarHBondContact O-N 3.15Å; D159-Y165 HydrophobicContact CB-CD1 4.12Å; D159-Y165 HydrophobicContact CB-CE1 4.02Å; Y165-K167 HydrophobicContact CE2-CB 3.96Å; Y165-K167 HydrophobicContact CE2-CG 4.37Å; Y165-K167 PolarHBondContact O-N 2.74Å |
| 166 | V | 95.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.1 | 177 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | F136 I143 L154 G168 C169 I287 | F136-V166 HydrophobicContact CE1-CG2 4.28Å; F136-V166 HydrophobicContact CE2-CG2 3.99Å; F136-V166 HydrophobicContact CZ-CG2 3.79Å; I143-V166 HydrophobicContact CD1-CG1 4.1Å; I143-V166 HydrophobicContact CD1-CG2 4.11Å; I143-V166 HydrophobicContact CG2-CG1 3.97Å; L154-V166 HydrophobicContact CB-CG1 3.64Å; L154-V166 HydrophobicContact CD1-CG1 3.88Å; L154-V166 HydrophobicContact CG-CG1 4.43Å; V166-G168 PolarHBondContact O-N 3.42Å; V166-C169 HydrophobicContact CB-CB 3.96Å; V166-C169 HydrophobicContact CG1-CB 3.83Å; V166-C169 PolarHBondContact O-N 2.89Å; V166-I287 HydrophobicContact CG2-CD1 3.77Å; V166-I287 HydrophobicContact CG2-CG1 4.11Å |
| 167 | K | 93.9 | Very high | 90.8 | Very high | 107 Ų | 107 | 73 Ų | 73 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.8 | -177.1 | -175.8 | 178.1 | -179.6 | 177.5 | 0 | 111.1 | S155 H157 Y165 | S155-K167 PolarHBondContact O-N 3.29Å; H157-K167 HydrophobicContact CB-CB 4.42Å; H157-K167 WeakPolarHBondContact CE1-CD 3.43Å; H157-K167 WeakPolarHBondContact ND1-CB 3.5Å; H157-K167 VanDerWaalsContact NE2-CD 3.28Å; H157-K167 WeakPolarHBondContact NE2-CD 3.34Å; H157-K167 PolarHBondContact NE2-NZ 2.78Å; Y165-K167 HydrophobicContact CE2-CB 3.96Å; Y165-K167 HydrophobicContact CE2-CG 4.37Å; Y165-K167 PolarHBondContact O-N 2.74Å |
| 168 | G | 92.3 | Very high | 90.8 | Very high | 48 Ų | 48 | 75.8 Ų | 75.8 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -3.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K151 V166 | K151-G168 WeakPolarHBondContact CD-O 3.38Å; K151-G168 WeakPolarHBondContact CE-O 3.35Å; K151-G168 PolarHBondContact NZ-O 2.83Å; V166-G168 PolarHBondContact O-N 3.42Å |
| 169 | C | 96.3 | Very high | 91.1 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.7 | 173 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | L154 V166 E171 | L154-C169 HydrophobicContact CD1-CB 3.96Å; V166-C169 HydrophobicContact CB-CB 3.96Å; V166-C169 HydrophobicContact CG1-CB 3.83Å; V166-C169 PolarHBondContact O-N 2.89Å; C169-E171 PolarHBondContact O-N 3.21Å |
| 170 | T | 97.3 | Very high | 91.6 | Very high | 24 Ų | 24 | 73.9 Ų | 73.9 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 119.4 | -178.4 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | S134 D145 L147 K151 R172 | S134-T170 WeakPolarHBondContact CA-O 3.33Å; S134-T170 WeakPolarHBondContact CB-O 3.47Å; S134-T170 PolarHBondContact OG-O 2.67Å; D145-T170 VanDerWaalsContact OD2-CB 3.29Å; D145-T170 WeakPolarHBondContact OD2-CB 3.22Å; D145-T170 PolarHBondContact OD2-N 3.41Å; D145-T170 PolarHBondContact OD2-OG1 2.93Å; L147-T170 HydrophobicContact CB-CG2 4.22Å; K151-T170 PolarHBondContact NZ-OG1 2.92Å; T170-R172 HydrophobicContact CG2-CG 4.02Å |
| 171 | E | 96.4 | Very high | 92.2 | Very high | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 120.7 | 163.2 | -63.8 | -176.6 | 148.6 | 0 | 0 | 108.1 | K132 V133 C169 | K132-E171 HydrophobicContact CD-CB 4.19Å; K132-E171 WeakPolarHBondContact CD-OE2 3.46Å; K132-E171 IonicContact NZ-OE2 3.11Å; K132-E171 PolarHBondContact NZ-OE2 3.36Å; V133-E171 WeakPolarHBondContact O-CA 3.36Å; C169-E171 PolarHBondContact O-N 3.21Å |
| 172 | R | 96.5 | Very high | 93.1 | Very high | 69 Ų | 69 | 65 Ų | 65 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.3 | 169.3 | -61.7 | -171.7 | -176.1 | 179.4 | 5.7 | 109.2 | K132 V133 L147 T170 E186 | K132-R172 CarbonylContact C-O 3.55Å; K132-R172 VanDerWaalsContact CA-O 3.27Å; K132-R172 WeakPolarHBondContact CA-O 3.46Å; V133-R172 HydrophobicContact CG2-CB 4.25Å; V133-R172 PolarHBondContact N-O 2.9Å; V133-R172 PolarHBondContact O-N 3.08Å; L147-R172 HydrophobicContact CD1-CG 4.21Å; L147-R172 PolarHBondContact O-NH2 3.36Å; T170-R172 HydrophobicContact CG2-CG 4.02Å; R172-E186 IonicContact CZ-OE1 3.84Å; R172-E186 IonicContact CZ-OE2 2.8Å; R172-E186 VanDerWaalsContact CZ-OE2 3.3Å; R172-E186 IonicContact NH1-OE1 2.76Å; R172-E186 IonicContact NH1-OE2 2.73Å; R172-E186 PolarHBondContact NH1-OE2 2.97Å; R172-E186 VanDerWaalsContact NH2-CD 3.26Å; R172-E186 IonicContact NH2-OE1 3.21Å; R172-E186 PolarHBondContact NH2-OE1 2.94Å; R172-E186 IonicContact NH2-OE2 3.47Å; R172-E186 PolarHBondContact NH2-OE2 2.92Å |
| 173 | F | 97.1 | Very high | 93.9 | Very high | 128 Ų | 128 | 55.9 Ų | 55.9 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 148.4 | 167.1 | -70.1 | -85.7 | 0 | 0 | 0 | 109.5 | I131 K132 | I131-F173 WeakPolarHBondContact O-CA 3.49Å; K132-F173 HydrophobicContact CD-CE1 4.17Å; K132-F173 HydrophobicContact CD-CZ 4.36Å; K132-F173 HydrophobicContact CG-CD1 3.75Å; K132-F173 HydrophobicContact CG-CE1 3.77Å; K132-F173 HydrophobicContact CG-CG 4.3Å; K132-F173 HydrophobicContact CG-CZ 4.33Å |
| 174 | V | 96.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 144.9 | 176.7 | -72 | 0 | 0 | 0 | 0 | 109.9 | F117 I131 V133 E179 V180 | F117-V174 HydrophobicContact CZ-CG2 4.5Å; I131-V174 HydrophobicContact CB-CG2 3.95Å; I131-V174 HydrophobicContact CG2-CG2 3.56Å; I131-V174 PolarHBondContact O-N 3.07Å; V133-V174 HydrophobicContact CG1-CG2 3.93Å; V133-V174 HydrophobicContact CG2-CG1 3.65Å; V133-V174 HydrophobicContact CG2-CG2 4.34Å; V174-E179 HydrophobicContact CB-CB 4.25Å; V174-E179 HydrophobicContact CG1-CB 3.99Å; V174-V180 HydrophobicContact CB-CG2 3.98Å; V174-V180 HydrophobicContact CG1-CG2 4.11Å; V174-V180 HydrophobicContact CG2-CG2 3.76Å |
| 175 | T | 94.8 | Very high | 94.6 | Very high | 101 Ų | 101 | 56.3 Ų | 56.3 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | trans | -127.6 | -11.4 | -171.2 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | F117 E179 | F117-T175 VanDerWaalsContact CE1-O 3.24Å; F117-T175 WeakPolarHBondContact CE1-O 3.32Å; T175-E179 WeakPolarHBondContact CA-OE2 3.09Å; T175-E179 PolarHBondContact N-OE2 3.24Å; T175-E179 PolarHBondContact OG1-OE2 2.96Å | ||
| 176 | S | 93.5 | Very high | 94.8 | Very high | 27 Ų | 27 | 55 Ų | 55 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -143.5 | 165.1 | 172.7 | 89.4 | 0 | 0 | 0 | 0 | 113 | F117 E178 E179 V180 | F117-S176 VanDerWaalsContact CE2-O 3.29Å; F117-S176 WeakPolarHBondContact CE2-O 3.49Å; F117-S176 VanDerWaalsContact CZ-C 3.49Å; S176-E178 WeakPolarHBondContact CB-OE2 3.3Å; S176-E178 PolarHBondContact O-N 3.21Å; S176-E178 PolarHBondContact OG-N 3.43Å; S176-E178 PolarHBondContact OG-OE2 2.92Å; S176-E179 PolarHBondContact O-N 2.83Å; S176-E179 PolarHBondContact OG-N 3.23Å; S176-V180 PolarHBondContact O-N 2.83Å |
| 177 | P | 92.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -35.1 | 173.4 | -22.7 | 32.5 | 0 | 0 | 0 | 113.3 | F117 V180 M181 | F117-P177 HydrophobicContact CB-CG 3.88Å; F117-P177 HydrophobicContact CD2-CB 4.26Å; F117-P177 HydrophobicContact CD2-CG 3.67Å; F117-P177 HydrophobicContact CG-CG 3.98Å; P177-V180 WeakPolarHBondContact O-CB 3.39Å; P177-V180 PolarHBondContact O-N 3.23Å; P177-M181 WeakPolarHBondContact O-CG 3.34Å; P177-M181 PolarHBondContact O-N 3.3Å |
| 178 | E | 92.6 | Very high | 94.4 | Very high | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | -179.1 | -59.6 | 72.3 | -156 | 0 | 0 | 111.1 | S176 V180 M181 D182 | S176-E178 WeakPolarHBondContact CB-OE2 3.3Å; S176-E178 PolarHBondContact O-N 3.21Å; S176-E178 PolarHBondContact OG-N 3.43Å; S176-E178 PolarHBondContact OG-OE2 2.92Å; E178-V180 PolarHBondContact O-N 2.91Å; E178-M181 WeakPolarHBondContact O-CB 3.22Å; E178-M181 PolarHBondContact O-N 2.96Å; E178-D182 PolarHBondContact O-N 2.93Å |
| 179 | E | 95.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -31.8 | 176 | -64.2 | -174.4 | 142.3 | 0 | 0 | 112.2 | V174 T175 S176 V183 | V174-E179 HydrophobicContact CB-CB 4.25Å; V174-E179 HydrophobicContact CG1-CB 3.99Å; T175-E179 WeakPolarHBondContact CA-OE2 3.09Å; T175-E179 PolarHBondContact N-OE2 3.24Å; T175-E179 PolarHBondContact OG1-OE2 2.96Å; S176-E179 PolarHBondContact O-N 2.83Å; S176-E179 PolarHBondContact OG-N 3.23Å; E179-V183 WeakPolarHBondContact O-CB 3.48Å; E179-V183 VanDerWaalsContact O-CG2 3.23Å; E179-V183 WeakPolarHBondContact O-CG2 3.43Å; E179-V183 PolarHBondContact O-N 3.43Å; E179-V183 VanDerWaalsContact O-N 3.16Å |
| 180 | V | 94.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | A113 F117 V133 V174 S176 P177 E178 V183 I184 F209 | A113-V180 HydrophobicContact CB-CB 4.11Å; A113-V180 HydrophobicContact CB-CG1 3.68Å; F117-V180 HydrophobicContact CE2-CG2 3.99Å; V133-V180 HydrophobicContact CG1-CG2 4.43Å; V174-V180 HydrophobicContact CB-CG2 3.98Å; V174-V180 HydrophobicContact CG1-CG2 4.11Å; V174-V180 HydrophobicContact CG2-CG2 3.76Å; S176-V180 PolarHBondContact O-N 2.83Å; P177-V180 WeakPolarHBondContact O-CB 3.39Å; P177-V180 PolarHBondContact O-N 3.23Å; E178-V180 PolarHBondContact O-N 2.91Å; V180-V183 PolarHBondContact O-N 2.86Å; V180-I184 HydrophobicContact CG1-CD1 3.99Å; V180-I184 WeakPolarHBondContact O-CD1 3.3Å; V180-I184 VanDerWaalsContact O-CG1 3.27Å; V180-I184 WeakPolarHBondContact O-CG1 3.31Å; V180-I184 PolarHBondContact O-N 3.15Å; V180-I184 VanDerWaalsContact O-N 3.13Å; V180-F209 HydrophobicContact CG1-CE1 4.15Å; V180-F209 HydrophobicContact CG1-CZ 3.95Å |
| 181 | M | 92.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 177.3 | -65.7 | -72.7 | -125.3 | 0 | 0 | 112 | L100 P110 P177 E178 V183 I184 D185 | L100-M181 HydrophobicContact CB-CE 4.31Å; L100-M181 HydrophobicContact CB-SD 4.31Å; L100-M181 HydrophobicContact CD2-SD 4.42Å; L100-M181 VanDerWaalsContact O-CE 3.26Å; L100-M181 WeakPolarHBondContact O-CE 3.31Å; P110-M181 HydrophobicContact CB-CE 3.51Å; P110-M181 HydrophobicContact CB-SD 3.71Å; P177-M181 WeakPolarHBondContact O-CG 3.34Å; P177-M181 PolarHBondContact O-N 3.3Å; E178-M181 WeakPolarHBondContact O-CB 3.22Å; E178-M181 PolarHBondContact O-N 2.96Å; M181-V183 VanDerWaalsContact C-N 3.32Å; M181-V183 PolarHBondContact O-N 2.85Å; M181-I184 WeakPolarHBondContact O-CB 3.34Å; M181-I184 PolarHBondContact O-N 2.74Å; M181-I184 VanDerWaalsContact O-N 3.11Å; M181-D185 PolarHBondContact O-N 3Å |
| 182 | D | 94.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 52 Ų | 52 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 176.1 | -76.9 | -18.4 | 0 | 0 | 0 | 111.6 | E178 I184 D185 E186 | E178-D182 PolarHBondContact O-N 2.93Å; D182-I184 VanDerWaalsContact C-N 3.32Å; D182-I184 PolarHBondContact O-N 2.88Å; D182-D185 PolarHBondContact O-N 2.86Å; D182-E186 WeakPolarHBondContact O-CB 3.33Å; D182-E186 PolarHBondContact O-N 3.06Å |
| 183 | V | 96.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 175 | 169.2 | 0 | 0 | 0 | 0 | 112 | V133 L147 E179 V180 M181 G187 F209 | V133-V183 HydrophobicContact CG2-CB 4.41Å; V133-V183 HydrophobicContact CG2-CG1 3.86Å; V133-V183 HydrophobicContact CG2-CG2 4.3Å; L147-V183 HydrophobicContact CD1-CG1 3.74Å; L147-V183 HydrophobicContact CD2-CG1 3.6Å; L147-V183 HydrophobicContact CG-CG1 4.33Å; E179-V183 WeakPolarHBondContact O-CB 3.48Å; E179-V183 VanDerWaalsContact O-CG2 3.23Å; E179-V183 WeakPolarHBondContact O-CG2 3.43Å; E179-V183 PolarHBondContact O-N 3.43Å; E179-V183 VanDerWaalsContact O-N 3.16Å; V180-V183 PolarHBondContact O-N 2.86Å; M181-V183 VanDerWaalsContact C-N 3.32Å; M181-V183 PolarHBondContact O-N 2.85Å; V183-G187 PolarHBondContact O-N 3.3Å; V183-G187 VanDerWaalsContact O-N 3.11Å; V183-F209 HydrophobicContact CG1-CE2 4.13Å |
| 184 | I | 93.2 | Very high | 88 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 175.4 | -66.9 | 161 | 0 | 0 | 0 | 110.6 | L100 I109 V180 M181 D182 G187 K188 F209 | L100-I184 HydrophobicContact CD1-CG2 3.68Å; L100-I184 HydrophobicContact CD2-CG2 4.17Å; I109-I184 HydrophobicContact CG2-CD1 3.52Å; V180-I184 HydrophobicContact CG1-CD1 3.99Å; V180-I184 WeakPolarHBondContact O-CD1 3.3Å; V180-I184 VanDerWaalsContact O-CG1 3.27Å; V180-I184 WeakPolarHBondContact O-CG1 3.31Å; V180-I184 PolarHBondContact O-N 3.15Å; V180-I184 VanDerWaalsContact O-N 3.13Å; M181-I184 WeakPolarHBondContact O-CB 3.34Å; M181-I184 PolarHBondContact O-N 2.74Å; M181-I184 VanDerWaalsContact O-N 3.11Å; D182-I184 VanDerWaalsContact C-N 3.32Å; D182-I184 PolarHBondContact O-N 2.88Å; I184-G187 PolarHBondContact O-N 2.93Å; I184-K188 HydrophobicContact CG2-CD 3.72Å; I184-K188 HydrophobicContact CG2-CG 4.45Å; I184-K188 WeakPolarHBondContact O-CB 3.32Å; I184-K188 VanDerWaalsContact O-CG 3.26Å; I184-K188 WeakPolarHBondContact O-CG 3.29Å; I184-K188 PolarHBondContact O-N 3.31Å; I184-F209 HydrophobicContact CD1-CE1 4.47Å; I184-F209 HydrophobicContact CD1-CE2 4.3Å; I184-F209 HydrophobicContact CD1-CZ 4.12Å; I184-F209 HydrophobicContact CG1-CD2 4.04Å; I184-F209 HydrophobicContact CG1-CE2 3.51Å; I184-F209 HydrophobicContact CG1-CZ 3.8Å |
| 185 | D | 93.2 | Very high | 86.1 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | 179.7 | -89.4 | -24.6 | 0 | 0 | 0 | 112.5 | L100 H101 M181 D182 K188 A189 | L100-D185 VanDerWaalsContact CD1-OD1 3.28Å; L100-D185 WeakPolarHBondContact CD1-OD1 3.43Å; H101-D185 IonicContact CD2-OD2 3.31Å; H101-D185 IonicContact CE1-OD2 2.66Å; H101-D185 IonicContact NE2-OD2 3.37Å; H101-D185 PolarHBondContact NE2-OD2 2.72Å; M181-D185 PolarHBondContact O-N 3Å; D182-D185 PolarHBondContact O-N 2.86Å; D185-K188 PolarHBondContact O-N 2.81Å; D185-A189 WeakPolarHBondContact O-CB 3.5Å; D185-A189 PolarHBondContact O-N 2.72Å |
| 186 | E | 94.6 | Very high | 83.8 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 170.3 | -168.1 | -161.8 | 130.3 | 0 | 0 | 110.8 | R172 D182 K188 A189 N190 | R172-E186 IonicContact CZ-OE1 3.84Å; R172-E186 IonicContact CZ-OE2 2.8Å; R172-E186 VanDerWaalsContact CZ-OE2 3.3Å; R172-E186 IonicContact NH1-OE1 2.76Å; R172-E186 IonicContact NH1-OE2 2.73Å; R172-E186 PolarHBondContact NH1-OE2 2.97Å; R172-E186 VanDerWaalsContact NH2-CD 3.26Å; R172-E186 IonicContact NH2-OE1 3.21Å; R172-E186 PolarHBondContact NH2-OE1 2.94Å; R172-E186 IonicContact NH2-OE2 3.47Å; R172-E186 PolarHBondContact NH2-OE2 2.92Å; D182-E186 WeakPolarHBondContact O-CB 3.33Å; D182-E186 PolarHBondContact O-N 3.06Å; E186-K188 VanDerWaalsContact C-N 3.26Å; E186-K188 PolarHBondContact O-N 2.91Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 2.88Å; E186-A189 VanDerWaalsContact O-N 3.14Å; E186-N190 WeakPolarHBondContact O-CB 3.32Å; E186-N190 PolarHBondContact O-N 3.26Å; E186-N190 PolarHBondContact O-ND2 3.29Å; E186-N190 PolarHBondContact OE1-ND2 3.45Å |
| 187 | G | 92.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L146 V183 I184 N190 R191 | L146-G187 WeakPolarHBondContact O-CA 3.4Å; V183-G187 PolarHBondContact O-N 3.3Å; V183-G187 VanDerWaalsContact O-N 3.11Å; I184-G187 PolarHBondContact O-N 2.93Å; G187-N190 PolarHBondContact O-N 2.89Å; G187-R191 WeakPolarHBondContact O-CB 3.32Å; G187-R191 PolarHBondContact O-N 2.98Å |
| 188 | K | 87.7 | Confident | 79.2 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.1 | -36.7 | 174.5 | -73.5 | 168.3 | 64.7 | 164.3 | 0 | 112.6 | E97 L100 Y135 I184 D185 E186 R191 H192 | E97-K188 WeakPolarHBondContact OE2-CD 3.26Å; E97-K188 WeakPolarHBondContact OE2-CE 3.43Å; E97-K188 IonicContact OE2-NZ 2.72Å; E97-K188 PolarHBondContact OE2-NZ 3.01Å; L100-K188 HydrophobicContact CD1-CD 4.05Å; Y135-K188 HydrophobicContact CE1-CG 4.39Å; I184-K188 HydrophobicContact CG2-CD 3.72Å; I184-K188 HydrophobicContact CG2-CG 4.45Å; I184-K188 WeakPolarHBondContact O-CB 3.32Å; I184-K188 VanDerWaalsContact O-CG 3.26Å; I184-K188 WeakPolarHBondContact O-CG 3.29Å; I184-K188 PolarHBondContact O-N 3.31Å; D185-K188 PolarHBondContact O-N 2.81Å; E186-K188 VanDerWaalsContact C-N 3.26Å; E186-K188 PolarHBondContact O-N 2.91Å; K188-R191 PolarHBondContact O-N 3.32Å; K188-H192 PolarHBondContact O-N 3.07Å; K188-H192 PolarHBondContact O-ND1 3.26Å |
| 189 | A | 87.9 | Confident | 76.9 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D185 E186 R191 H192 V193 | D185-A189 WeakPolarHBondContact O-CB 3.5Å; D185-A189 PolarHBondContact O-N 2.72Å; E186-A189 WeakPolarHBondContact O-CB 3.48Å; E186-A189 PolarHBondContact O-N 2.88Å; E186-A189 VanDerWaalsContact O-N 3.14Å; A189-R191 PolarHBondContact O-N 3.13Å; A189-H192 PolarHBondContact O-N 2.94Å; A189-V193 WeakPolarHBondContact O-CG2 3.31Å; A189-V193 PolarHBondContact O-N 3.12Å |
| 190 | N | 88.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -27.9 | 175.9 | -75.5 | -23.1 | 0 | 0 | 0 | 113 | R144 L146 V149 E186 G187 | R144-N190 PolarHBondContact NH1-O 3.41Å; R144-N190 PolarHBondContact NH2-O 2.87Å; L146-N190 WeakPolarHBondContact O-CB 3.25Å; L146-N190 PolarHBondContact O-ND2 3.44Å; V149-N190 HydrophobicContact CG1-CB 3.55Å; V149-N190 VanDerWaalsContact CG1-CG 3.42Å; E186-N190 WeakPolarHBondContact O-CB 3.32Å; E186-N190 PolarHBondContact O-N 3.26Å; E186-N190 PolarHBondContact O-ND2 3.29Å; E186-N190 PolarHBondContact OE1-ND2 3.45Å; G187-N190 PolarHBondContact O-N 2.89Å |
| 191 | R | 84.4 | Confident | 73.1 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.9 | -46.8 | 168.4 | -161.3 | 173.2 | -176.5 | -147.5 | -3.1 | 111.6 | E137 L146 G187 K188 A189 V193 A194 V195 S202 S205 S207 | E137-R191 IonicContact OE2-NE 3.37Å; E137-R191 PolarHBondContact OE2-NE 2.9Å; L146-R191 HydrophobicContact CD2-CB 4.03Å; L146-R191 HydrophobicContact CD2-CG 4.42Å; G187-R191 WeakPolarHBondContact O-CB 3.32Å; G187-R191 PolarHBondContact O-N 2.98Å; K188-R191 PolarHBondContact O-N 3.32Å; A189-R191 PolarHBondContact O-N 3.13Å; R191-V193 PolarHBondContact O-N 2.86Å; R191-A194 WeakPolarHBondContact O-CB 3.35Å; R191-A194 PolarHBondContact O-N 3.12Å; R191-A194 VanDerWaalsContact O-N 3.13Å; R191-V195 WeakPolarHBondContact O-CG2 3.39Å; R191-V195 PolarHBondContact O-N 3.19Å; R191-V195 VanDerWaalsContact O-N 3.13Å; R191-S202 PolarHBondContact NH2-O 3.26Å; R191-S205 PolarHBondContact NE-OG 3.21Å; R191-S205 PolarHBondContact NH2-O 2.82Å; R191-S205 PolarHBondContact NH2-OG 3.08Å; R191-S207 PolarHBondContact NE-OG 2.82Å; R191-S207 PolarHBondContact NH1-OG 3.34Å; R191-S207 VanDerWaalsContact NH1-OG 3.11Å; R191-S207 PolarHBondContact NH2-OG 2.88Å |
| 192 | H | 65 | Low | 71.9 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -36 | 178.6 | -80.3 | 82.4 | 0 | 0 | 0 | 113.8 | K188 A189 A194 V195 T196 | K188-H192 PolarHBondContact O-N 3.07Å; K188-H192 PolarHBondContact O-ND1 3.26Å; A189-H192 PolarHBondContact O-N 2.94Å; H192-A194 PolarHBondContact O-N 2.85Å; H192-V195 WeakPolarHBondContact O-CB 3.49Å; H192-V195 PolarHBondContact O-N 2.87Å; H192-V195 VanDerWaalsContact O-N 3.16Å; H192-T196 PolarHBondContact O-N 3.23Å; H192-T196 PolarHBondContact O-OG1 3.38Å |
| 193 | V | 59.9 | Low | 70.8 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.9 | -31 | 176 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | A189 R191 T196 | A189-V193 WeakPolarHBondContact O-CG2 3.31Å; A189-V193 PolarHBondContact O-N 3.12Å; R191-V193 PolarHBondContact O-N 2.86Å; V193-T196 WeakPolarHBondContact CA-OG1 3.16Å; V193-T196 PolarHBondContact O-OG1 2.89Å |
| 194 | A | 57.2 | Low | 69.9 | Low | 26 Ų | 26 | 59.7 Ų | 59.7 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74.9 | -44.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R191 H192 T196 N197 M198 | R191-A194 WeakPolarHBondContact O-CB 3.35Å; R191-A194 PolarHBondContact O-N 3.12Å; R191-A194 VanDerWaalsContact O-N 3.13Å; H192-A194 PolarHBondContact O-N 2.85Å; A194-T196 VanDerWaalsContact C-N 3.27Å; A194-T196 PolarHBondContact O-N 2.86Å; A194-N197 PolarHBondContact O-N 2.98Å; A194-M198 PolarHBondContact O-N 2.86Å |
| 195 | V | 56.4 | Low | 69.6 | Low | 30 Ų | 30 | 59.7 Ų | 59.7 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -51.7 | -45.4 | 174.1 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | R191 H192 N197 M198 N199 H201 | R191-V195 WeakPolarHBondContact O-CG2 3.39Å; R191-V195 PolarHBondContact O-N 3.19Å; R191-V195 VanDerWaalsContact O-N 3.13Å; H192-V195 WeakPolarHBondContact O-CB 3.49Å; H192-V195 PolarHBondContact O-N 2.87Å; H192-V195 VanDerWaalsContact O-N 3.16Å; V195-N197 PolarHBondContact O-N 3.36Å; V195-N197 VanDerWaalsContact O-N 3.17Å; V195-M198 CarbonylContact O-C 3.58Å; V195-M198 PolarHBondContact O-N 3.39Å; V195-N199 VanDerWaalsContact CG1-O 3.3Å; V195-N199 WeakPolarHBondContact CG1-O 3.48Å; V195-N199 PolarHBondContact O-N 2.98Å; V195-H201 HydrophobicContact CG2-CB 3.92Å |
| 196 | T | 45.8 | Very low | 69.6 | Low | 117 Ų | 117 | 57 Ų | 57 | 72% | 0.718 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.2 | -179.1 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | H192 V193 A194 | H192-T196 PolarHBondContact O-N 3.23Å; H192-T196 PolarHBondContact O-OG1 3.38Å; V193-T196 WeakPolarHBondContact CA-OG1 3.16Å; V193-T196 PolarHBondContact O-OG1 2.89Å; A194-T196 VanDerWaalsContact C-N 3.27Å; A194-T196 PolarHBondContact O-N 2.86Å |
| 197 | N | 44.7 | Very low | 69.5 | Low | 118 Ų | 118 | 53.8 Ų | 53.8 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -29.3 | 175.8 | -128.9 | 20.9 | 0 | 0 | 0 | 112.2 | A194 V195 | A194-N197 PolarHBondContact O-N 2.98Å; V195-N197 PolarHBondContact O-N 3.36Å; V195-N197 VanDerWaalsContact O-N 3.17Å |
| 198 | M | 45.5 | Very low | 69.7 | Low | 101 Ų | 101 | 53.8 Ų | 53.8 | 50% | 0.498 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -151.5 | 101.3 | 175.4 | -65.3 | -174.7 | 80.4 | 0 | 0 | 113.1 | A194 V195 | A194-M198 PolarHBondContact O-N 2.86Å; V195-M198 CarbonylContact O-C 3.58Å; V195-M198 PolarHBondContact O-N 3.39Å |
| 199 | N | 43.8 | Very low | 70.1 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 56.9 | 177.9 | 162.4 | -68.8 | -29.3 | 0 | 0 | 0 | 118 | V195 H201 | V195-N199 VanDerWaalsContact CG1-O 3.3Å; V195-N199 WeakPolarHBondContact CG1-O 3.48Å; V195-N199 PolarHBondContact O-N 2.98Å; N199-H201 PolarHBondContact O-N 3.22Å |
| 200 | E | 53.3 | Low | 70.5 | Confident | 139 Ų | 139 | 50.2 Ų | 50.2 | 65% | 0.65 | 27% | 0.271 | S | S | * | . | trans | -74.7 | 58.8 | -174.9 | -161.1 | 179.8 | 172.8 | 0 | 0 | 113.5 | S202 S203 | E200-S202 PolarHBondContact O-N 3.08Å; E200-S202 VanDerWaalsContact O-N 3.12Å; E200-S203 PolarHBondContact O-N 2.88Å; E200-S203 PolarHBondContact O-OG 3.48Å | ||
| 201 | H | 58.4 | Low | 70.9 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -65.6 | -13.5 | -167.8 | -177.8 | -58.8 | 0 | 0 | 0 | 115 | E137 Y139 V195 N199 S203 R204 S205 | E137-H201 IonicContact OE2-CE1 3.68Å; E137-H201 PolarHBondContact OE2-CE1 3.33Å; E137-H201 VanDerWaalsContact OE2-CE1 3.28Å; E137-H201 IonicContact OE2-ND1 2.81Å; Y139-H201 AromaticContact CD1-NE2 3.32Å; Y139-H201 VanDerWaalsContact CD1-NE2 3.32Å; Y139-H201 WeakPolarHBondContact CD1-NE2 3.43Å; Y139-H201 AromaticContact CD2-CD2 3.91Å; Y139-H201 AromaticContact CD2-CE1 3.71Å; Y139-H201 AromaticContact CD2-NE2 3.49Å; Y139-H201 WeakPolarHBondContact CD2-NE2 2.99Å; Y139-H201 AromaticContact CE1-CD2 3.83Å; Y139-H201 AromaticContact CE1-NE2 3.53Å; Y139-H201 AromaticContact CE2-CD2 3.63Å; Y139-H201 AromaticContact CE2-NE2 3.68Å; Y139-H201 AromaticContact CG-CE1 3.64Å; Y139-H201 AromaticContact CG-NE2 3.28Å; Y139-H201 VanDerWaalsContact CG-NE2 3.28Å; Y139-H201 AromaticContact CZ-CD2 3.57Å; Y139-H201 AromaticContact CZ-NE2 3.69Å; V195-H201 HydrophobicContact CG2-CB 3.92Å; N199-H201 PolarHBondContact O-N 3.22Å; H201-S203 VanDerWaalsContact C-N 3.27Å; H201-S203 PolarHBondContact O-N 3.45Å; H201-R204 CarbonylContact O-C 3.59Å; H201-R204 PolarHBondContact O-N 2.86Å; H201-S205 VanDerWaalsContact CE1-CB 3.5Å; H201-S205 WeakPolarHBondContact CE1-CB 3.28Å; H201-S205 PolarHBondContact CE1-OG 3.18Å; H201-S205 PolarHBondContact ND1-OG 3.05Å; H201-S205 PolarHBondContact O-N 3.49Å; H201-S205 VanDerWaalsContact O-N 3.14Å |
| 202 | S | 66.8 | Low | 71.5 | Confident | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -62.6 | -33.4 | 177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | R191 E200 R204 | R191-S202 PolarHBondContact NH2-O 3.26Å; E200-S202 PolarHBondContact O-N 3.08Å; E200-S202 VanDerWaalsContact O-N 3.12Å; S202-R204 PolarHBondContact O-N 3.25Å |
| 203 | S | 72 | Confident | 72.9 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -73.8 | -10.3 | 174.2 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | T88 E200 H201 G235 | T88-S203 WeakPolarHBondContact OG1-CB 3.18Å; E200-S203 PolarHBondContact O-N 2.88Å; E200-S203 PolarHBondContact O-OG 3.48Å; H201-S203 VanDerWaalsContact C-N 3.27Å; H201-S203 PolarHBondContact O-N 3.45Å; S203-G235 PolarHBondContact O-N 3.45Å |
| 204 | R | 78 | Confident | 74.5 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -4.4 | -160.3 | -73.4 | -172.8 | -167.2 | 176.7 | -3.8 | 115.3 | H201 S202 E251 I255 | H201-R204 CarbonylContact O-C 3.59Å; H201-R204 PolarHBondContact O-N 2.86Å; S202-R204 PolarHBondContact O-N 3.25Å; R204-E251 WeakPolarHBondContact CD-OE1 3.5Å; R204-E251 IonicContact CZ-OE1 3.44Å; R204-E251 IonicContact NE-OE1 3.67Å; R204-E251 IonicContact NH1-OE1 3.33Å; R204-E251 PolarHBondContact NH1-OE1 2.96Å; R204-E251 IonicContact NH1-OE2 2.71Å; R204-E251 PolarHBondContact NH1-OE2 2.85Å; R204-I255 HydrophobicContact CB-CD1 3.47Å; R204-I255 VanDerWaalsContact CB-CD1 3.47Å; R204-I255 HydrophobicContact CG-CD1 3.75Å; R204-I255 VanDerWaalsContact O-CD1 3.22Å; R204-I255 WeakPolarHBondContact O-CD1 3.5Å; R204-I255 VanDerWaalsContact O-CG1 3.25Å; R204-I255 WeakPolarHBondContact O-CG1 3.35Å |
| 205 | S | 87.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -117.9 | 142.2 | 167.9 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | E137 I138 R191 H201 | E137-S205 VanDerWaalsContact OE2-CB 3.31Å; E137-S205 WeakPolarHBondContact OE2-CB 3.45Å; E137-S205 PolarHBondContact OE2-OG 2.84Å; I138-S205 WeakPolarHBondContact O-CA 3.31Å; R191-S205 PolarHBondContact NE-OG 3.21Å; R191-S205 PolarHBondContact NH2-O 2.82Å; R191-S205 PolarHBondContact NH2-OG 3.08Å; H201-S205 VanDerWaalsContact CE1-CB 3.5Å; H201-S205 WeakPolarHBondContact CE1-CB 3.28Å; H201-S205 PolarHBondContact CE1-OG 3.18Å; H201-S205 PolarHBondContact ND1-OG 3.05Å; H201-S205 PolarHBondContact O-N 3.49Å; H201-S205 VanDerWaalsContact O-N 3.14Å |
| 206 | H | 91.9 | Very high | 77.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.4 | 171.5 | -48.7 | -81.5 | 0 | 0 | 0 | 108.5 | E137 I138 D232 L233 A234 S258 M284 | E137-H206 CarbonylContact C-O 3.6Å; E137-H206 WeakPolarHBondContact CA-O 3Å; I138-H206 HydrophobicContact CB-CB 4.37Å; I138-H206 PolarHBondContact N-O 3.25Å; I138-H206 PolarHBondContact O-N 2.83Å; H206-D232 CarbonylContact C-O 3.53Å; H206-D232 WeakPolarHBondContact CA-O 3.15Å; H206-L233 HydrophobicContact CB-CD2 4.37Å; H206-L233 WeakPolarHBondContact ND1-CA 3.17Å; H206-L233 WeakPolarHBondContact ND1-CD2 3.24Å; H206-A234 PolarHBondContact CE1-N 3.4Å; H206-A234 PolarHBondContact ND1-N 3.4Å; H206-S258 PolarHBondContact NE2-OG 3.5Å; H206-M284 HydrophobicContact CB-SD 4.22Å; H206-M284 VanDerWaalsContact CG-SD 3.59Å |
| 207 | S | 93.1 | Very high | 79.8 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.4 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | R191 V231 D232 | R191-S207 PolarHBondContact NE-OG 2.82Å; R191-S207 PolarHBondContact NH1-OG 3.34Å; R191-S207 VanDerWaalsContact NH1-OG 3.11Å; R191-S207 PolarHBondContact NH2-OG 2.88Å; S207-V231 WeakPolarHBondContact O-CA 3.45Å; S207-D232 PolarHBondContact N-O 3.19Å; S207-D232 PolarHBondContact O-N 3.1Å |
| 208 | I | 95.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 110.4 | -179.4 | -61.9 | 176.4 | 0 | 0 | 0 | 108 | F136 I138 Y229 V231 I287 | F136-I208 HydrophobicContact CD2-CB 4.19Å; F136-I208 HydrophobicContact CE1-CB 4.37Å; F136-I208 HydrophobicContact CE1-CG2 4.03Å; F136-I208 HydrophobicContact CE2-CB 3.75Å; F136-I208 HydrophobicContact CE2-CD1 3.83Å; F136-I208 HydrophobicContact CE2-CG1 4.28Å; F136-I208 HydrophobicContact CE2-CG2 4Å; F136-I208 HydrophobicContact CZ-CB 3.84Å; F136-I208 HydrophobicContact CZ-CD1 4.31Å; F136-I208 HydrophobicContact CZ-CG2 3.56Å; F136-I208 PolarHBondContact N-O 3.46Å; F136-I208 VanDerWaalsContact N-O 3.13Å; F136-I208 PolarHBondContact O-N 3.13Å; I138-I208 HydrophobicContact CD1-CD1 3.84Å; I138-I208 HydrophobicContact CG1-CD1 4.4Å; I208-Y229 HydrophobicContact CG2-CD1 4.03Å; I208-V231 HydrophobicContact CG1-CG1 4.05Å; I208-V231 HydrophobicContact CG1-CG2 4.17Å; I208-V231 HydrophobicContact CG2-CG2 4.4Å; I208-I287 HydrophobicContact CD1-CG2 4.48Å |
| 209 | F | 97.1 | Very high | 83.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.4 | 168.4 | -165.9 | -98.4 | 0 | 0 | 0 | 108.2 | I109 V133 Y135 V180 V183 I184 I211 L230 | I109-F209 HydrophobicContact CG2-CD1 4.17Å; I109-F209 HydrophobicContact CG2-CE1 4.43Å; V133-F209 HydrophobicContact CB-CE1 4.44Å; V133-F209 HydrophobicContact CB-CE2 4.48Å; V133-F209 HydrophobicContact CB-CZ 3.9Å; V133-F209 HydrophobicContact CG1-CE1 4.02Å; V133-F209 HydrophobicContact CG1-CZ 3.81Å; Y135-F209 HydrophobicContact CD1-CD2 4.1Å; Y135-F209 HydrophobicContact CD1-CE2 4.46Å; Y135-F209 HydrophobicContact CD2-CB 4.03Å; Y135-F209 AromaticContact CD2-CD2 3.72Å; Y135-F209 HydrophobicContact CD2-CD2 3.72Å; Y135-F209 HydrophobicContact CD2-CG 4.4Å; Y135-F209 HydrophobicContact CE2-CB 4.29Å; Y135-F209 HydrophobicContact CE2-CD2 4.29Å; Y135-F209 AromaticContact CG-CD2 3.62Å; Y135-F209 HydrophobicContact CG-CD2 3.62Å; Y135-F209 HydrophobicContact CG-CE2 4.26Å; V180-F209 HydrophobicContact CG1-CE1 4.15Å; V180-F209 HydrophobicContact CG1-CZ 3.95Å; V183-F209 HydrophobicContact CG1-CE2 4.13Å; I184-F209 HydrophobicContact CD1-CE1 4.47Å; I184-F209 HydrophobicContact CD1-CE2 4.3Å; I184-F209 HydrophobicContact CD1-CZ 4.12Å; I184-F209 HydrophobicContact CG1-CD2 4.04Å; I184-F209 HydrophobicContact CG1-CE2 3.51Å; I184-F209 HydrophobicContact CG1-CZ 3.8Å; F209-I211 HydrophobicContact CD1-CD1 4.37Å; F209-I211 HydrophobicContact CD1-CG1 3.86Å; F209-I211 HydrophobicContact CE1-CD1 4.05Å; F209-I211 HydrophobicContact CE1-CG1 3.61Å; F209-L230 HydrophobicContact CB-CB 4.37Å; F209-L230 HydrophobicContact CD1-CD1 4.4Å; F209-L230 PolarHBondContact N-O 3.28Å; F209-L230 PolarHBondContact O-N 3.43Å |
| 210 | L | 96.6 | Very high | 85.5 | Confident | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.5 | 179.2 | 168.9 | 60.3 | 0 | 0 | 0 | 108.9 | V133 S134 K227 L228 Y229 | V133-L210 VanDerWaalsContact CA-O 3.31Å; V133-L210 WeakPolarHBondContact CA-O 3.44Å; S134-L210 PolarHBondContact N-O 3.04Å; S134-L210 PolarHBondContact O-N 3.47Å; L210-K227 HydrophobicContact CD1-CB 4.1Å; L210-L228 WeakPolarHBondContact CA-O 3.42Å; L210-Y229 HydrophobicContact CB-CD1 4.45Å; L210-Y229 HydrophobicContact CB-CE1 4.5Å; L210-Y229 HydrophobicContact CD1-CD1 4.01Å; L210-Y229 HydrophobicContact CD1-CD2 4.11Å; L210-Y229 HydrophobicContact CD1-CE1 3.87Å; L210-Y229 HydrophobicContact CD1-CE2 3.95Å; L210-Y229 HydrophobicContact CD1-CG 4.14Å; L210-Y229 HydrophobicContact CD2-CE1 4.05Å; L210-Y229 HydrophobicContact CG-CE1 4.36Å |
| 211 | I | 96.8 | Very high | 86.9 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.9 | 165.6 | -48.5 | 176.6 | 0 | 0 | 0 | 107.6 | I112 I116 I131 V133 F209 I213 L228 L230 | I112-I211 HydrophobicContact CG2-CD1 3.79Å; I116-I211 HydrophobicContact CD1-CD1 3.87Å; I116-I211 HydrophobicContact CD1-CG2 4.27Å; I131-I211 HydrophobicContact CG2-CG2 3.85Å; V133-I211 HydrophobicContact CG1-CG1 4.3Å; V133-I211 HydrophobicContact CG1-CG2 4.46Å; F209-I211 HydrophobicContact CD1-CD1 4.37Å; F209-I211 HydrophobicContact CD1-CG1 3.86Å; F209-I211 HydrophobicContact CE1-CD1 4.05Å; F209-I211 HydrophobicContact CE1-CG1 3.61Å; I211-I213 HydrophobicContact CG2-CG1 3.99Å; I211-L228 HydrophobicContact CB-CB 4.34Å; I211-L228 PolarHBondContact N-O 3.22Å; I211-L228 PolarHBondContact O-N 3.45Å; I211-L230 HydrophobicContact CD1-CD1 4.1Å |
| 212 | N | 95.5 | Very high | 88.1 | Confident | 15 Ų | 15 | 40.2 Ų | 40.2 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 105.5 | 178.9 | 177.2 | 17.1 | 0 | 0 | 0 | 107.8 | K132 | K132-N212 HydrophobicContact CB-CB 4.24Å; K132-N212 PolarHBondContact N-O 3.42Å; K132-N212 PolarHBondContact O-N 2.73Å |
| 213 | I | 95.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.2 | -179.3 | -49.4 | -177.9 | 0 | 0 | 0 | 108.1 | V74 L75 I116 F129 I131 I211 G226 | V74-I213 HydrophobicContact CG1-CD1 3.98Å; V74-I213 HydrophobicContact CG1-CG1 4.33Å; L75-I213 HydrophobicContact CD2-CD1 3.89Å; L75-I213 HydrophobicContact CD2-CG2 4.34Å; L75-I213 HydrophobicContact CG-CD1 4.43Å; I116-I213 HydrophobicContact CD1-CD1 3.93Å; I116-I213 HydrophobicContact CG1-CD1 4.05Å; I116-I213 HydrophobicContact CG2-CD1 3.87Å; F129-I213 HydrophobicContact CD1-CG2 4.06Å; I131-I213 HydrophobicContact CG1-CG2 4.47Å; I211-I213 HydrophobicContact CG2-CG1 3.99Å; I213-G226 PolarHBondContact N-O 3.45Å; I213-G226 PolarHBondContact O-N 3.14Å |
| 214 | K | 93.8 | Very high | 90 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.8 | 162.2 | -77.2 | 177.5 | 158.7 | -69.4 | 0 | 108.9 | H130 L224 E336 | H130-K214 HydrophobicContact CB-CB 4.02Å; H130-K214 PolarHBondContact N-O 3.02Å; H130-K214 PolarHBondContact O-N 2.85Å; K214-L224 WeakPolarHBondContact CA-O 3.39Å; K214-E336 IonicContact NZ-OE1 3.92Å; K214-E336 PolarHBondContact NZ-OE1 3.19Å; K214-E336 IonicContact NZ-OE2 2.85Å; K214-E336 PolarHBondContact NZ-OE2 3.49Å |
| 215 | Q | 91.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 148.6 | 168.3 | 68.7 | -175.1 | -24.2 | 0 | 0 | 109.7 | L75 E128 F129 K223 L224 | L75-Q215 PolarHBondContact O-NE2 3.5Å; E128-Q215 CarbonylContact O-C 3.59Å; E128-Q215 VanDerWaalsContact O-CA 3.3Å; E128-Q215 WeakPolarHBondContact O-CA 3.12Å; F129-Q215 HydrophobicContact CD1-CB 3.64Å; F129-Q215 HydrophobicContact CE1-CB 3.46Å; F129-Q215 VanDerWaalsContact CE1-CB 3.46Å; F129-Q215 HydrophobicContact CE1-CG 4.32Å; F129-Q215 VanDerWaalsContact CE1-OE1 3.25Å; F129-Q215 HydrophobicContact CG-CB 4.39Å; F129-Q215 HydrophobicContact CZ-CB 4.08Å; Q215-K223 CarbonylContact O-C 3.57Å; Q215-K223 WeakPolarHBondContact O-CA 3.36Å; Q215-L224 HydrophobicContact CG-CB 3.7Å; Q215-L224 PolarHBondContact N-O 3.35Å; Q215-L224 PolarHBondContact O-N 3.03Å |
| 216 | E | 90.5 | Very high | 91 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 120.8 | -179.7 | 179.6 | 158 | -179.8 | 0 | 0 | 109.7 | E128 K223 | E128-E216 PolarHBondContact N-O 2.93Å; E128-E216 PolarHBondContact O-N 3.03Å; E216-K223 HydrophobicContact CB-CG 4.23Å; E216-K223 HydrophobicContact CG-CG 3.92Å; E216-K223 WeakPolarHBondContact OE1-CE 3.44Å; E216-K223 IonicContact OE1-NZ 3.22Å; E216-K223 PolarHBondContact OE1-NZ 2.85Å; E216-K223 IonicContact OE2-NZ 3.99Å; E216-K223 PolarHBondContact OE2-NZ 3.18Å |
| 217 | N | 88.6 | Confident | 91.1 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 116.5 | 174.1 | 179.9 | -95.5 | 0 | 0 | 0 | 109.9 | N126 L127 E219 T220 E221 Q222 | N126-N217 CarbonylContact O-C 3.59Å; N126-N217 WeakPolarHBondContact O-CA 3.31Å; N126-N217 PolarHBondContact O-ND2 3.36Å; L127-N217 HydrophobicContact CD2-CB 3.75Å; N217-E219 VanDerWaalsContact C-N 3.33Å; N217-E219 PolarHBondContact O-N 2.85Å; N217-E219 PolarHBondContact OD1-N 2.72Å; N217-T220 PolarHBondContact O-N 3.23Å; N217-T220 WeakPolarHBondContact OD1-CB 3.44Å; N217-T220 WeakPolarHBondContact OD1-CG2 3.49Å; N217-T220 PolarHBondContact OD1-N 3.19Å; N217-T220 PolarHBondContact OD1-OG1 3.42Å; N217-E221 VanDerWaalsContact O-CA 3.31Å; N217-E221 WeakPolarHBondContact O-CA 3.26Å; N217-E221 PolarHBondContact O-N 3.22Å; N217-Q222 PolarHBondContact N-O 2.84Å |
| 218 | V | 86.8 | Confident | 91.2 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30.5 | -170.6 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | N126 E128 | N126-V218 PolarHBondContact O-N 3.2Å; E128-V218 HydrophobicContact CB-CG2 4.49Å |
| 219 | E | 84.9 | Confident | 91.3 | Very high | 144 Ų | 144 | 42.3 Ų | 42.3 | 67% | 0.673 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -33.8 | 178.7 | -64.5 | -171.4 | 167.5 | 0 | 0 | 113.9 | N126 N217 | N126-E219 HydrophobicContact CB-CG 4.42Å; N126-E219 PolarHBondContact ND2-OE1 3.41Å; N217-E219 VanDerWaalsContact C-N 3.33Å; N217-E219 PolarHBondContact O-N 2.85Å; N217-E219 PolarHBondContact OD1-N 2.72Å |
| 220 | T | 82 | Confident | 91.3 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -1.8 | -172.3 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | N217 Q222 Q341 | N217-T220 PolarHBondContact O-N 3.23Å; N217-T220 WeakPolarHBondContact OD1-CB 3.44Å; N217-T220 WeakPolarHBondContact OD1-CG2 3.49Å; N217-T220 PolarHBondContact OD1-N 3.19Å; N217-T220 PolarHBondContact OD1-OG1 3.42Å; T220-Q222 PolarHBondContact O-N 3.48Å; T220-Q222 VanDerWaalsContact O-N 3.07Å; T220-Q222 WeakPolarHBondContact OG1-CG 3.21Å; T220-Q341 PolarHBondContact O-NE2 2.97Å |
| 221 | E | 82.2 | Confident | 91.2 | Very high | 109 Ų | 109 | 41.4 Ų | 41.4 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 18 | -172.6 | -54.7 | -173.9 | 162.4 | 0 | 0 | 114.3 | N217 K223 T338 | N217-E221 VanDerWaalsContact O-CA 3.31Å; N217-E221 WeakPolarHBondContact O-CA 3.26Å; N217-E221 PolarHBondContact O-N 3.22Å; E221-K223 PolarHBondContact O-N 3.34Å; E221-T338 HydrophobicContact CB-CG2 3.62Å; E221-T338 VanDerWaalsContact O-CG2 3.25Å; E221-T338 WeakPolarHBondContact O-CG2 3.41Å |
| 222 | Q | 82.7 | Confident | 91.1 | Very high | 87 Ų | 87 | 41.5 Ų | 41.5 | 41% | 0.407 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 117.6 | -178.3 | -70 | -176.4 | 50.8 | 0 | 0 | 110.5 | N217 T220 L335 | N217-Q222 PolarHBondContact N-O 2.84Å; T220-Q222 PolarHBondContact O-N 3.48Å; T220-Q222 VanDerWaalsContact O-N 3.07Å; T220-Q222 WeakPolarHBondContact OG1-CG 3.21Å; Q222-L335 HydrophobicContact CB-CD1 4.42Å |
| 223 | K | 88.8 | Confident | 91 | Very high | 65 Ų | 65 | 41 Ų | 41 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.1 | 178.4 | -60.5 | 163.5 | -163.5 | -89.5 | 0 | 110 | Q215 E216 E221 E336 | Q215-K223 CarbonylContact O-C 3.57Å; Q215-K223 WeakPolarHBondContact O-CA 3.36Å; E216-K223 HydrophobicContact CB-CG 4.23Å; E216-K223 HydrophobicContact CG-CG 3.92Å; E216-K223 WeakPolarHBondContact OE1-CE 3.44Å; E216-K223 IonicContact OE1-NZ 3.22Å; E216-K223 PolarHBondContact OE1-NZ 2.85Å; E216-K223 IonicContact OE2-NZ 3.99Å; E216-K223 PolarHBondContact OE2-NZ 3.18Å; E221-K223 PolarHBondContact O-N 3.34Å; K223-E336 HydrophobicContact CB-CB 3.81Å; K223-E336 PolarHBondContact O-N 3.39Å |
| 224 | L | 91.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147 | 177.7 | -74.4 | 164.4 | 0 | 0 | 0 | 110.2 | K214 Q215 V333 L335 | K214-L224 WeakPolarHBondContact CA-O 3.39Å; Q215-L224 HydrophobicContact CG-CB 3.7Å; Q215-L224 PolarHBondContact N-O 3.35Å; Q215-L224 PolarHBondContact O-N 3.03Å; L224-V333 HydrophobicContact CD2-CG1 3.31Å; L224-L335 HydrophobicContact CD2-CB 4.13Å; L224-L335 HydrophobicContact CD2-CD1 3.79Å; L224-L335 HydrophobicContact CG-CD1 4.14Å |
| 225 | C | 91.9 | Very high | 90.6 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 9% | 0.088 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 90 | -165.7 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | N334 E336 | C225-N334 HydrophobicContact CB-CB 4.29Å; C225-N334 PolarHBondContact N-O 2.81Å; C225-N334 VanDerWaalsContact N-O 3.12Å; C225-N334 WeakPolarHBondContact O-CB 3.36Å; C225-N334 PolarHBondContact O-ND2 3Å; C225-E336 PolarHBondContact SG-OE1 3.04Å |
| 226 | G | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y78 I213 | Y78-G226 VanDerWaalsContact O-CA 3.3Å; Y78-G226 WeakPolarHBondContact O-CA 3.43Å; I213-G226 PolarHBondContact N-O 3.45Å; I213-G226 PolarHBondContact O-N 3.14Å |
| 227 | K | 94.1 | Very high | 90.2 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.1 | 172.6 | -64.9 | 175.9 | -177.1 | 172 | 0 | 111.2 | N79 G80 L210 Y229 | N79-K227 CarbonylContact C-O 3.6Å; N79-K227 VanDerWaalsContact CA-O 3.26Å; N79-K227 WeakPolarHBondContact CA-O 3.46Å; N79-K227 WeakPolarHBondContact OD1-CB 3.03Å; N79-K227 PolarHBondContact OD1-N 2.87Å; N79-K227 VanDerWaalsContact OD1-N 3.13Å; G80-K227 PolarHBondContact N-O 2.95Å; L210-K227 HydrophobicContact CD1-CB 4.1Å; K227-Y229 HydrophobicContact CB-CE2 4.04Å |
| 228 | L | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 107.8 | 179.6 | -178.6 | 47.4 | 0 | 0 | 0 | 110.6 | I70 V74 G80 I112 L210 I211 L230 | I70-L228 HydrophobicContact CG2-CD1 3.6Å; V74-L228 HydrophobicContact CG1-CB 4.09Å; V74-L228 HydrophobicContact CG2-CB 4.03Å; V74-L228 HydrophobicContact CG2-CD1 4.29Å; V74-L228 HydrophobicContact CG2-CD2 4.36Å; V74-L228 HydrophobicContact CG2-CG 4.46Å; G80-L228 WeakPolarHBondContact O-CA 3.44Å; I112-L228 HydrophobicContact CD1-CD2 4.28Å; I112-L228 HydrophobicContact CG2-CD2 3.74Å; L210-L228 WeakPolarHBondContact CA-O 3.42Å; I211-L228 HydrophobicContact CB-CB 4.34Å; I211-L228 PolarHBondContact N-O 3.22Å; I211-L228 PolarHBondContact O-N 3.45Å; L228-L230 HydrophobicContact CD1-CD2 3.75Å; L228-L230 HydrophobicContact CD1-CG 4.48Å; L228-L230 HydrophobicContact CD2-CD2 4.4Å; L228-L230 HydrophobicContact CG-CD2 3.83Å; L228-L230 HydrophobicContact CG-CG 4.12Å |
| 229 | Y | 96.6 | Very high | 89 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.8 | 175.9 | -67.6 | -94.2 | 0 | 0 | 0 | 110.3 | G80 T81 I82 I208 L210 K227 I287 | G80-Y229 PolarHBondContact O-N 3.44Å; T81-Y229 CarbonylContact C-O 3.47Å; T81-Y229 VanDerWaalsContact CA-O 3.32Å; T81-Y229 WeakPolarHBondContact CA-O 3.41Å; I82-Y229 PolarHBondContact N-O 2.9Å; I208-Y229 HydrophobicContact CG2-CD1 4.03Å; L210-Y229 HydrophobicContact CB-CD1 4.45Å; L210-Y229 HydrophobicContact CB-CE1 4.5Å; L210-Y229 HydrophobicContact CD1-CD1 4.01Å; L210-Y229 HydrophobicContact CD1-CD2 4.11Å; L210-Y229 HydrophobicContact CD1-CE1 3.87Å; L210-Y229 HydrophobicContact CD1-CE2 3.95Å; L210-Y229 HydrophobicContact CD1-CG 4.14Å; L210-Y229 HydrophobicContact CD2-CE1 4.05Å; L210-Y229 HydrophobicContact CG-CE1 4.36Å; K227-Y229 HydrophobicContact CB-CE2 4.04Å; Y229-I287 HydrophobicContact CE1-CG2 4.06Å |
| 230 | L | 96.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.6 | 178.3 | -54.6 | 177.2 | 0 | 0 | 0 | 107.9 | I82 M96 I109 I112 F209 I211 L228 | I82-L230 HydrophobicContact CB-CD2 3.91Å; I82-L230 HydrophobicContact CD1-CD2 3.96Å; I82-L230 HydrophobicContact CG1-CD2 4.07Å; M96-L230 HydrophobicContact CE-CB 3.88Å; I109-L230 HydrophobicContact CB-CD1 4.27Å; I109-L230 HydrophobicContact CD1-CB 4.35Å; I109-L230 HydrophobicContact CG1-CB 3.99Å; I109-L230 HydrophobicContact CG1-CD1 3.82Å; I109-L230 HydrophobicContact CG1-CG 4.48Å; I109-L230 HydrophobicContact CG2-CD1 4.16Å; I112-L230 HydrophobicContact CD1-CD1 3.93Å; I112-L230 HydrophobicContact CD1-CD2 3.59Å; I112-L230 HydrophobicContact CD1-CG 4.44Å; I112-L230 HydrophobicContact CG2-CD1 4.18Å; F209-L230 HydrophobicContact CB-CB 4.37Å; F209-L230 HydrophobicContact CD1-CD1 4.4Å; F209-L230 PolarHBondContact N-O 3.28Å; F209-L230 PolarHBondContact O-N 3.43Å; I211-L230 HydrophobicContact CD1-CD1 4.1Å; L228-L230 HydrophobicContact CD1-CD2 3.75Å; L228-L230 HydrophobicContact CD1-CG 4.48Å; L228-L230 HydrophobicContact CD2-CD2 4.4Å; L228-L230 HydrophobicContact CG-CD2 3.83Å; L228-L230 HydrophobicContact CG-CG 4.12Å |
| 231 | V | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 110.3 | -161.2 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | T81 I82 F83 A84 S207 I208 L233 L288 | T81-V231 HydrophobicContact CG2-CG2 4.49Å; I82-V231 PolarHBondContact O-N 2.83Å; F83-V231 CarbonylContact C-O 3.49Å; F83-V231 HydrophobicContact CD1-CB 3.65Å; F83-V231 HydrophobicContact CD1-CG1 3.8Å; F83-V231 HydrophobicContact CD1-CG2 4.06Å; F83-V231 HydrophobicContact CE1-CB 4.01Å; F83-V231 HydrophobicContact CE1-CG1 4.06Å; F83-V231 HydrophobicContact CE1-CG2 3.93Å; A84-V231 PolarHBondContact N-O 2.83Å; S207-V231 WeakPolarHBondContact O-CA 3.45Å; I208-V231 HydrophobicContact CG1-CG1 4.05Å; I208-V231 HydrophobicContact CG1-CG2 4.17Å; I208-V231 HydrophobicContact CG2-CG2 4.4Å; V231-L233 HydrophobicContact CG1-CD2 3.54Å; V231-L233 HydrophobicContact CG1-CG 4.03Å; V231-L288 HydrophobicContact CG2-CD2 4.15Å |
| 232 | D | 94.8 | Very high | 86.6 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.4 | 168.1 | -168.1 | 32.8 | 0 | 0 | 0 | 108.6 | K92 T93 M96 H206 S207 | K92-D232 VanDerWaalsContact C-OD1 3.25Å; K92-D232 WeakPolarHBondContact CB-OD1 3.49Å; T93-D232 WeakPolarHBondContact CA-OD2 3.41Å; T93-D232 VanDerWaalsContact CB-OD2 3.24Å; T93-D232 WeakPolarHBondContact CB-OD2 3.18Å; T93-D232 WeakPolarHBondContact CG2-OD2 3.43Å; T93-D232 PolarHBondContact N-OD1 3.4Å; T93-D232 VanDerWaalsContact N-OD1 3.16Å; T93-D232 PolarHBondContact OG1-OD2 3.23Å; M96-D232 HydrophobicContact CB-CB 4.35Å; M96-D232 HydrophobicContact CG-CB 4.06Å; H206-D232 CarbonylContact C-O 3.53Å; H206-D232 WeakPolarHBondContact CA-O 3.15Å; S207-D232 PolarHBondContact N-O 3.19Å; S207-D232 PolarHBondContact O-N 3.1Å |
| 233 | L | 93.1 | Very high | 85.7 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 164.4 | -177.8 | -60.9 | 171.7 | 0 | 0 | 0 | 111.3 | A84 Y85 K92 H206 V231 L259 L262 M284 | A84-L233 VanDerWaalsContact O-CB 3.29Å; A84-L233 WeakPolarHBondContact O-CB 3.49Å; A84-L233 WeakPolarHBondContact O-CG 3.24Å; A84-L233 PolarHBondContact O-N 3.37Å; Y85-L233 HydrophobicContact CD2-CD1 3.84Å; Y85-L233 HydrophobicContact CG-CD1 4.49Å; K92-L233 WeakPolarHBondContact CE-O 3.26Å; H206-L233 HydrophobicContact CB-CD2 4.37Å; H206-L233 WeakPolarHBondContact ND1-CA 3.17Å; H206-L233 WeakPolarHBondContact ND1-CD2 3.24Å; V231-L233 HydrophobicContact CG1-CD2 3.54Å; V231-L233 HydrophobicContact CG1-CG 4.03Å; L233-L259 HydrophobicContact CB-CD2 4.43Å; L233-L259 HydrophobicContact CD1-CD2 4.4Å; L233-L262 HydrophobicContact CD1-CD2 3.94Å; L233-M284 HydrophobicContact CD2-CE 4.35Å; L233-M284 HydrophobicContact CD2-SD 3.63Å |
| 234 | A | 90.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K92 H206 S236 I255 | K92-A234 VanDerWaalsContact CE-O 3.27Å; K92-A234 WeakPolarHBondContact CE-O 3.34Å; K92-A234 PolarHBondContact NZ-O 2.9Å; H206-A234 PolarHBondContact CE1-N 3.4Å; H206-A234 PolarHBondContact ND1-N 3.4Å; A234-S236 PolarHBondContact O-N 2.9Å; A234-I255 HydrophobicContact CB-CG2 3.56Å |
| 235 | G | 88.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 129.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T88 S203 E237 L259 | T88-G235 WeakPolarHBondContact OG1-CA 3.41Å; S203-G235 PolarHBondContact O-N 3.45Å; G235-E237 VanDerWaalsContact C-N 3.35Å; G235-E237 VanDerWaalsContact C-OE2 3.23Å; G235-E237 WeakPolarHBondContact CA-OE2 3.37Å; G235-L259 VanDerWaalsContact O-CD1 3.25Å; G235-L259 WeakPolarHBondContact O-CD1 3.36Å |
| 236 | S | 89.4 | Confident | 82.2 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | trans | -89.2 | 4.6 | 175.6 | 74.6 | 0 | 0 | 0 | 0 | 114.5 | G86 Q87 A234 | G86-S236 WeakPolarHBondContact CA-OG 3.5Å; G86-S236 PolarHBondContact O-N 3.27Å; G86-S236 VanDerWaalsContact O-N 3.15Å; G86-S236 PolarHBondContact O-OG 3.14Å; Q87-S236 PolarHBondContact N-OG 2.69Å; A234-S236 PolarHBondContact O-N 2.9Å | ||
| 237 | E | 83.8 | Confident | 80.9 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 16% | 0.159 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -69 | 148.3 | -179.9 | 62.5 | -81.1 | -169.9 | 0 | 0 | 112.8 | Q87 T88 G235 T242 E313 | Q87-E237 WeakPolarHBondContact CA-OE2 3.38Å; Q87-E237 HydrophobicContact CB-CB 4.26Å; T88-E237 WeakPolarHBondContact CB-OE1 3.45Å; T88-E237 PolarHBondContact N-OE2 3.17Å; T88-E237 PolarHBondContact OG1-OE1 2.72Å; T88-E237 PolarHBondContact OG1-OE2 3.1Å; G235-E237 VanDerWaalsContact C-N 3.35Å; G235-E237 VanDerWaalsContact C-OE2 3.23Å; G235-E237 WeakPolarHBondContact CA-OE2 3.37Å; E237-T242 HydrophobicContact CG-CG2 4.26Å; E237-E313 HydrophobicContact CB-CG 4.45Å |
| 238 | K | 77.6 | Confident | 79.6 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 52% | 0.522 | 27% | 0.271 | S | S | . | . | trans | -67 | 139 | -178.8 | -62.4 | -175.5 | -178.7 | -176.8 | 0 | 111.4 | S240 K241 E313 | K238-S240 PolarHBondContact O-N 2.91Å; K238-S240 VanDerWaalsContact O-N 3.15Å; K238-K241 WeakPolarHBondContact O-CA 3.21Å; K238-K241 WeakPolarHBondContact O-CB 3.34Å; K238-K241 PolarHBondContact O-N 2.78Å; K238-E313 PolarHBondContact N-OE1 3.37Å | ||
| 239 | V | 72.9 | Confident | 78.5 | Confident | 34 Ų | 34 | 47.5 Ų | 47.5 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -53 | -36.1 | 176 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | K241 T242 L249 A252 N256 | V239-K241 PolarHBondContact O-N 2.92Å; V239-K241 VanDerWaalsContact O-N 3.16Å; V239-T242 PolarHBondContact O-N 3.21Å; V239-T242 PolarHBondContact O-OG1 3.04Å; V239-L249 HydrophobicContact CG1-CD1 3.43Å; V239-L249 VanDerWaalsContact CG1-CD1 3.43Å; V239-A252 HydrophobicContact CG1-CB 3.92Å; V239-A252 HydrophobicContact CG2-CB 4.11Å; V239-N256 HydrophobicContact CG2-CB 4.2Å; V239-N256 WeakPolarHBondContact CG2-ND2 3.38Å |
| 240 | S | 69.5 | Low | 77.3 | Confident | 113 Ų | 113 | 50.1 Ų | 50.1 | 79% | 0.79 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.9 | -15.9 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | K238 | K238-S240 PolarHBondContact O-N 2.91Å; K238-S240 VanDerWaalsContact O-N 3.15Å |
| 241 | K | 65.8 | Low | 76.1 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -91.9 | -12 | 177.6 | -151.7 | -177.3 | -176.5 | -172.4 | 0 | 112.9 | K238 V239 Y309 E313 | K238-K241 WeakPolarHBondContact O-CA 3.21Å; K238-K241 WeakPolarHBondContact O-CB 3.34Å; K238-K241 PolarHBondContact O-N 2.78Å; V239-K241 PolarHBondContact O-N 2.92Å; V239-K241 VanDerWaalsContact O-N 3.16Å; K241-Y309 PolarHBondContact NZ-O 3.27Å; K241-Y309 VanDerWaalsContact NZ-O 3.16Å; K241-E313 HydrophobicContact CD-CG 4.1Å |
| 242 | T | 64.4 | Low | 75 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -15 | -178.6 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | E237 V239 A244 | E237-T242 HydrophobicContact CG-CG2 4.26Å; V239-T242 PolarHBondContact O-N 3.21Å; V239-T242 PolarHBondContact O-OG1 3.04Å; T242-A244 PolarHBondContact O-N 2.88Å; T242-A244 WeakPolarHBondContact OG1-CB 3.49Å |
| 243 | G | 64.1 | Low | 74.1 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 24.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 244 | A | 61.2 | Low | 73.3 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | trans | -76.5 | 129.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T242 V248 L249 | T242-A244 PolarHBondContact O-N 2.88Å; T242-A244 WeakPolarHBondContact OG1-CB 3.49Å; A244-V248 HydrophobicContact CB-CB 4.1Å; A244-V248 HydrophobicContact CB-CG1 3.78Å; A244-L249 WeakPolarHBondContact O-CD1 3.42Å | ||
| 245 | E | 64.3 | Low | 72.6 | Confident | 167 Ų | 167 | 58.6 Ų | 58.6 | 78% | 0.78 | 35% | 0.346 | S | S | * | . | trans | -121.7 | 161.5 | 174.6 | -65.4 | -178.5 | 177.3 | 0 | 0 | 110.5 | V248 | E245-V248 PolarHBondContact O-N 2.83Š| ||
| 246 | G | 73.4 | Confident | 72.1 | Confident | 60 Ų | 60 | 60 Ų | 60 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -138.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V248 L249 | G246-V248 PolarHBondContact O-N 2.8Å; G246-V248 VanDerWaalsContact O-N 3.14Å; G246-L249 VanDerWaalsContact O-CB 3.26Å; G246-L249 WeakPolarHBondContact O-CB 3.42Å; G246-L249 PolarHBondContact O-N 2.94Å |
| 247 | S | 65.3 | Low | 71.9 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -58.3 | -27.6 | -178.6 | 52.3 | 0 | 0 | 0 | 0 | 114 | L249 D250 E251 | S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 2.77Å; S247-D250 PolarHBondContact O-N 2.9Å; S247-E251 WeakPolarHBondContact O-CB 3.26Å; S247-E251 PolarHBondContact O-N 3.16Å |
| 248 | V | 66.9 | Low | 72.1 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.4 | -27.3 | 177.3 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | A244 E245 G246 A252 | A244-V248 HydrophobicContact CB-CB 4.1Å; A244-V248 HydrophobicContact CB-CG1 3.78Å; E245-V248 PolarHBondContact O-N 2.83Å; G246-V248 PolarHBondContact O-N 2.8Å; G246-V248 VanDerWaalsContact O-N 3.14Å; V248-A252 WeakPolarHBondContact O-CB 3.32Å; V248-A252 PolarHBondContact O-N 2.99Å |
| 249 | L | 72.9 | Confident | 72.7 | Confident | 78 Ų | 78 | 59 Ų | 59 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 174.9 | -178.6 | 65.6 | 0 | 0 | 0 | 111 | V239 A244 G246 S247 A252 K253 | V239-L249 HydrophobicContact CG1-CD1 3.43Å; V239-L249 VanDerWaalsContact CG1-CD1 3.43Å; A244-L249 WeakPolarHBondContact O-CD1 3.42Å; G246-L249 VanDerWaalsContact O-CB 3.26Å; G246-L249 WeakPolarHBondContact O-CB 3.42Å; G246-L249 PolarHBondContact O-N 2.94Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 2.77Å; L249-A252 PolarHBondContact O-N 3.35Å; L249-K253 VanDerWaalsContact O-CB 3.22Å; L249-K253 WeakPolarHBondContact O-CB 3.42Å; L249-K253 PolarHBondContact O-N 3.19Å |
| 250 | D | 71.4 | Confident | 73.5 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.6 | -31.7 | 179.5 | -111.5 | 11.4 | 0 | 0 | 0 | 112 | S247 K253 N254 | S247-D250 PolarHBondContact O-N 2.9Å; D250-K253 WeakPolarHBondContact OD1-CD 3.14Å; D250-K253 IonicContact OD1-NZ 3.48Å; D250-K253 PolarHBondContact OD1-NZ 3.01Å; D250-N254 WeakPolarHBondContact O-CB 3.23Å; D250-N254 PolarHBondContact O-N 2.94Å; D250-N254 PolarHBondContact O-ND2 2.86Å |
| 251 | E | 71.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.8 | -59.1 | 164.5 | -177.2 | -168 | 164 | 0 | 0 | 110.8 | Y139 R204 S247 K253 N254 I255 | Y139-E251 HydrophobicContact CE2-CG 3.83Å; Y139-E251 WeakPolarHBondContact OH-CG 3.49Å; Y139-E251 PolarHBondContact OH-OE1 3.3Å; R204-E251 WeakPolarHBondContact CD-OE1 3.5Å; R204-E251 IonicContact CZ-OE1 3.44Å; R204-E251 IonicContact NE-OE1 3.67Å; R204-E251 IonicContact NH1-OE1 3.33Å; R204-E251 PolarHBondContact NH1-OE1 2.96Å; R204-E251 IonicContact NH1-OE2 2.71Å; R204-E251 PolarHBondContact NH1-OE2 2.85Å; S247-E251 WeakPolarHBondContact O-CB 3.26Å; S247-E251 PolarHBondContact O-N 3.16Å; E251-K253 VanDerWaalsContact C-N 3.26Å; E251-K253 PolarHBondContact O-N 2.8Å; E251-N254 PolarHBondContact O-N 2.87Å; E251-N254 VanDerWaalsContact O-N 3.14Å; E251-I255 HydrophobicContact CG-CD1 3.94Å; E251-I255 WeakPolarHBondContact O-CD1 3.46Å; E251-I255 VanDerWaalsContact O-CG1 3.26Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.83Å |
| 252 | A | 72.4 | Confident | 75.9 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -33.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V239 V248 L249 N256 | V239-A252 HydrophobicContact CG1-CB 3.92Å; V239-A252 HydrophobicContact CG2-CB 4.11Å; V248-A252 WeakPolarHBondContact O-CB 3.32Å; V248-A252 PolarHBondContact O-N 2.99Å; L249-A252 PolarHBondContact O-N 3.35Å; A252-N256 WeakPolarHBondContact O-CB 3.3Å; A252-N256 PolarHBondContact O-N 3.06Å; A252-N256 PolarHBondContact O-ND2 3.43Å |
| 253 | K | 77.3 | Confident | 77.2 | Confident | 124 Ų | 124 | 49 Ų | 49 | 54% | 0.539 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 175.2 | -177.9 | -170.4 | -179.4 | -176.4 | 0 | 112.5 | L249 D250 E251 I255 N256 R257 | L249-K253 VanDerWaalsContact O-CB 3.22Å; L249-K253 WeakPolarHBondContact O-CB 3.42Å; L249-K253 PolarHBondContact O-N 3.19Å; D250-K253 WeakPolarHBondContact OD1-CD 3.14Å; D250-K253 IonicContact OD1-NZ 3.48Å; D250-K253 PolarHBondContact OD1-NZ 3.01Å; E251-K253 VanDerWaalsContact C-N 3.26Å; E251-K253 PolarHBondContact O-N 2.8Å; K253-I255 VanDerWaalsContact C-N 3.34Å; K253-N256 PolarHBondContact O-N 3.33Å; K253-R257 PolarHBondContact O-N 3.24Å |
| 254 | N | 75.7 | Confident | 78.6 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.5 | -32 | 175.2 | -79.2 | -70.7 | 0 | 0 | 0 | 112.5 | M140 D250 E251 R257 S258 | M140-N254 HydrophobicContact CB-CB 4.41Å; D250-N254 WeakPolarHBondContact O-CB 3.23Å; D250-N254 PolarHBondContact O-N 2.94Å; D250-N254 PolarHBondContact O-ND2 2.86Å; E251-N254 PolarHBondContact O-N 2.87Å; E251-N254 VanDerWaalsContact O-N 3.14Å; N254-R257 WeakPolarHBondContact O-CB 3.38Å; N254-R257 PolarHBondContact O-N 2.99Å; N254-S258 PolarHBondContact O-N 3.41Å |
| 255 | I | 76.4 | Confident | 80.1 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -50.6 | 172.1 | -63.4 | 160.1 | 0 | 0 | 0 | 109.6 | R204 A234 E251 K253 R257 S258 L259 | R204-I255 HydrophobicContact CB-CD1 3.47Å; R204-I255 VanDerWaalsContact CB-CD1 3.47Å; R204-I255 HydrophobicContact CG-CD1 3.75Å; R204-I255 VanDerWaalsContact O-CD1 3.22Å; R204-I255 WeakPolarHBondContact O-CD1 3.5Å; R204-I255 VanDerWaalsContact O-CG1 3.25Å; R204-I255 WeakPolarHBondContact O-CG1 3.35Å; A234-I255 HydrophobicContact CB-CG2 3.56Å; E251-I255 HydrophobicContact CG-CD1 3.94Å; E251-I255 WeakPolarHBondContact O-CD1 3.46Å; E251-I255 VanDerWaalsContact O-CG1 3.26Å; E251-I255 WeakPolarHBondContact O-CG1 3.48Å; E251-I255 PolarHBondContact O-N 2.83Å; K253-I255 VanDerWaalsContact C-N 3.34Å; I255-R257 PolarHBondContact O-N 3.32Å; I255-S258 PolarHBondContact O-N 2.93Å; I255-S258 PolarHBondContact O-OG 2.77Å; I255-L259 PolarHBondContact O-N 2.61Å |
| 256 | N | 78.3 | Confident | 81.5 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -29.1 | 176.3 | -87.9 | -85.1 | 0 | 0 | 0 | 112.8 | V239 A252 K253 S258 L259 S260 | V239-N256 HydrophobicContact CG2-CB 4.2Å; V239-N256 WeakPolarHBondContact CG2-ND2 3.38Å; A252-N256 WeakPolarHBondContact O-CB 3.3Å; A252-N256 PolarHBondContact O-N 3.06Å; A252-N256 PolarHBondContact O-ND2 3.43Å; K253-N256 PolarHBondContact O-N 3.33Å; N256-S258 PolarHBondContact O-N 3.25Å; N256-L259 PolarHBondContact O-N 2.83Å; N256-S260 VanDerWaalsContact O-CB 3.23Å; N256-S260 WeakPolarHBondContact O-CB 3.32Å; N256-S260 PolarHBondContact O-N 3.25Å; N256-S260 PolarHBondContact O-OG 3.13Å |
| 257 | R | 85.6 | Confident | 82.3 | Confident | 135 Ų | 135 | 39.5 Ų | 39.5 | 51% | 0.509 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56 | -49.8 | 172.4 | 176 | -173.7 | 169.6 | 157.2 | 3.1 | 111.6 | K253 N254 I255 L259 S260 A261 D281 | K253-R257 PolarHBondContact O-N 3.24Å; N254-R257 WeakPolarHBondContact O-CB 3.38Å; N254-R257 PolarHBondContact O-N 2.99Å; I255-R257 PolarHBondContact O-N 3.32Å; R257-L259 PolarHBondContact O-N 2.97Å; R257-S260 PolarHBondContact O-N 3.34Å; R257-A261 WeakPolarHBondContact O-CB 3.33Å; R257-A261 PolarHBondContact O-N 3.39Å; R257-D281 PolarHBondContact NE-O 3.12Å; R257-D281 PolarHBondContact NH2-O 3.24Å |
| 258 | S | 87.5 | Confident | 83.5 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | -179.9 | 65 | 0 | 0 | 0 | 0 | 112.9 | E141 H206 N254 I255 N256 L262 M284 | E141-S258 WeakPolarHBondContact OE1-CB 3.45Å; H206-S258 PolarHBondContact NE2-OG 3.5Å; N254-S258 PolarHBondContact O-N 3.41Å; I255-S258 PolarHBondContact O-N 2.93Å; I255-S258 PolarHBondContact O-OG 2.77Å; N256-S258 PolarHBondContact O-N 3.25Å; S258-L262 PolarHBondContact O-N 3.46Å; S258-M284 WeakPolarHBondContact O-CE 3.29Å |
| 259 | L | 89.1 | Confident | 84.7 | Confident | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.6 | -29.5 | 174.6 | -67.7 | -178.2 | 0 | 0 | 0 | 113.2 | Y85 L233 G235 I255 N256 R257 L262 G263 M284 | Y85-L259 HydrophobicContact CD2-CD2 4.44Å; Y85-L259 HydrophobicContact CE2-CD2 4.16Å; L233-L259 HydrophobicContact CB-CD2 4.43Å; L233-L259 HydrophobicContact CD1-CD2 4.4Å; G235-L259 VanDerWaalsContact O-CD1 3.25Å; G235-L259 WeakPolarHBondContact O-CD1 3.36Å; I255-L259 PolarHBondContact O-N 2.61Å; N256-L259 PolarHBondContact O-N 2.83Å; R257-L259 PolarHBondContact O-N 2.97Å; L259-L262 HydrophobicContact CD2-CD2 4.33Å; L259-L262 PolarHBondContact O-N 3.12Å; L259-G263 PolarHBondContact O-N 3.28Å; L259-M284 HydrophobicContact CD2-CE 4.22Å |
| 260 | S | 89.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 33.5 Ų | 33.5 | 43% | 0.434 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72.3 | -41.8 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | N256 R257 L262 G263 N264 | N256-S260 VanDerWaalsContact O-CB 3.23Å; N256-S260 WeakPolarHBondContact O-CB 3.32Å; N256-S260 PolarHBondContact O-N 3.25Å; N256-S260 PolarHBondContact O-OG 3.13Å; R257-S260 PolarHBondContact O-N 3.34Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.79Å; S260-G263 CarbonylContact O-C 3.57Å; S260-G263 WeakPolarHBondContact O-CA 3.49Å; S260-G263 PolarHBondContact O-N 2.82Å; S260-G263 VanDerWaalsContact O-N 3.11Å; S260-N264 VanDerWaalsContact O-CG 3.26Å; S260-N264 PolarHBondContact O-N 2.94Å; S260-N264 PolarHBondContact O-OD1 2.85Å |
| 261 | A | 93.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -45.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R257 G263 N264 V265 D281 T285 | R257-A261 WeakPolarHBondContact O-CB 3.33Å; R257-A261 PolarHBondContact O-N 3.39Å; A261-G263 VanDerWaalsContact C-N 3.33Å; A261-G263 PolarHBondContact O-N 3.06Å; A261-N264 PolarHBondContact O-N 2.85Å; A261-V265 WeakPolarHBondContact O-CG2 3.07Å; A261-V265 PolarHBondContact O-N 2.88Å; A261-D281 HydrophobicContact CB-CB 3.62Å; A261-T285 HydrophobicContact CB-CG2 4.1Å |
| 262 | L | 93.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -42.2 | 173.2 | 179.2 | 64.2 | 0 | 0 | 0 | 111.8 | L233 S258 L259 S260 I266 M284 T285 L292 F320 | L233-L262 HydrophobicContact CD1-CD2 3.94Å; S258-L262 PolarHBondContact O-N 3.46Å; L259-L262 HydrophobicContact CD2-CD2 4.33Å; L259-L262 PolarHBondContact O-N 3.12Å; S260-L262 VanDerWaalsContact C-N 3.32Å; S260-L262 PolarHBondContact O-N 2.79Å; L262-I266 HydrophobicContact CD1-CD1 3.94Å; L262-I266 HydrophobicContact CD1-CG1 4.43Å; L262-I266 HydrophobicContact CG-CD1 3.92Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.26Å; L262-I266 PolarHBondContact O-N 2.81Å; L262-M284 HydrophobicContact CB-CE 3.87Å; L262-M284 HydrophobicContact CD2-CE 4.07Å; L262-M284 HydrophobicContact CG-CE 4.48Å; L262-T285 HydrophobicContact CB-CG2 4.11Å; L262-T285 HydrophobicContact CD1-CG2 4.47Å; L262-L292 HydrophobicContact CD1-CD1 3.44Å; L262-L292 VanDerWaalsContact CD1-CD1 3.44Å; L262-F320 HydrophobicContact CD2-CZ 4Å; L262-F320 HydrophobicContact CG-CZ 4.12Å |
| 263 | G | 92.1 | Very high | 86.1 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L259 S260 A261 S267 | L259-G263 PolarHBondContact O-N 3.28Å; S260-G263 CarbonylContact O-C 3.57Å; S260-G263 WeakPolarHBondContact O-CA 3.49Å; S260-G263 PolarHBondContact O-N 2.82Å; S260-G263 VanDerWaalsContact O-N 3.11Å; A261-G263 VanDerWaalsContact C-N 3.33Å; A261-G263 PolarHBondContact O-N 3.06Å; G263-S267 WeakPolarHBondContact O-CB 3.42Å; G263-S267 PolarHBondContact O-N 3.26Å; G263-S267 PolarHBondContact O-OG 2.99Å |
| 264 | N | 92.3 | Very high | 85.8 | Confident | 85 Ų | 85 | 41.7 Ų | 41.7 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 176.4 | -70.2 | -8.3 | 0 | 0 | 0 | 111.3 | S260 A261 S267 A268 P278 | S260-N264 VanDerWaalsContact O-CG 3.26Å; S260-N264 PolarHBondContact O-N 2.94Å; S260-N264 PolarHBondContact O-OD1 2.85Å; A261-N264 PolarHBondContact O-N 2.85Å; N264-S267 PolarHBondContact O-N 2.95Å; N264-A268 WeakPolarHBondContact O-CB 3.48Å; N264-A268 PolarHBondContact O-N 2.57Å; N264-P278 HydrophobicContact CB-CG 4.09Å |
| 265 | V | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 173.7 | 164.9 | 0 | 0 | 0 | 0 | 110.7 | A261 S267 A268 L269 V277 P278 Y279 T285 L292 | A261-V265 WeakPolarHBondContact O-CG2 3.07Å; A261-V265 PolarHBondContact O-N 2.88Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.16Å; V265-A268 PolarHBondContact O-N 3.22Å; V265-L269 HydrophobicContact CG1-CD1 3.83Å; V265-L269 WeakPolarHBondContact O-CB 3.4Å; V265-L269 WeakPolarHBondContact O-CG 3.24Å; V265-L269 PolarHBondContact O-N 2.98Å; V265-V277 HydrophobicContact CB-CG1 4.25Å; V265-V277 HydrophobicContact CG1-CG1 3.9Å; V265-V277 HydrophobicContact CG2-CG1 4.17Å; V265-P278 HydrophobicContact CG2-CG 4.2Å; V265-Y279 HydrophobicContact CG1-CD1 3.82Å; V265-Y279 HydrophobicContact CG1-CE1 3.51Å; V265-Y279 HydrophobicContact CG2-CD1 4.03Å; V265-Y279 HydrophobicContact CG2-CE1 4.48Å; V265-T285 HydrophobicContact CB-CG2 4.48Å; V265-T285 HydrophobicContact CG2-CG2 3.97Å; V265-L292 HydrophobicContact CG1-CB 4.39Å; V265-L292 HydrophobicContact CG1-CD1 4.09Å |
| 266 | I | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.1 | -77.6 | 167.7 | 0 | 0 | 0 | 111.7 | L262 A270 M300 F320 R323 A324 I327 | L262-I266 HydrophobicContact CD1-CD1 3.94Å; L262-I266 HydrophobicContact CD1-CG1 4.43Å; L262-I266 HydrophobicContact CG-CD1 3.92Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.32Å; L262-I266 WeakPolarHBondContact O-CG1 3.26Å; L262-I266 PolarHBondContact O-N 2.81Å; I266-A270 WeakPolarHBondContact O-CB 3.29Å; I266-A270 PolarHBondContact O-N 3.42Å; I266-M300 HydrophobicContact CD1-CE 3.98Å; I266-F320 HydrophobicContact CD1-CE1 3.86Å; I266-F320 HydrophobicContact CD1-CE2 3.94Å; I266-F320 HydrophobicContact CD1-CZ 3.36Å; I266-R323 HydrophobicContact CG2-CB 3.91Å; I266-A324 HydrophobicContact CG2-CB 4.43Å; I266-I327 HydrophobicContact CB-CD1 4.07Å; I266-I327 HydrophobicContact CG1-CD1 3.87Å; I266-I327 HydrophobicContact CG2-CD1 4.03Å |
| 267 | S | 90.4 | Very high | 87.1 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.8 | -42.2 | -179.5 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | G263 N264 V265 L269 A270 E271 | G263-S267 WeakPolarHBondContact O-CB 3.42Å; G263-S267 PolarHBondContact O-N 3.26Å; G263-S267 PolarHBondContact O-OG 2.99Å; N264-S267 PolarHBondContact O-N 2.95Å; V265-S267 VanDerWaalsContact C-N 3.33Å; V265-S267 PolarHBondContact O-N 3.16Å; S267-L269 PolarHBondContact O-N 3.34Å; S267-A270 PolarHBondContact O-N 2.99Å; S267-E271 WeakPolarHBondContact O-CB 3.48Å; S267-E271 WeakPolarHBondContact O-CG 3.13Å; S267-E271 PolarHBondContact O-N 2.81Å |
| 268 | A | 91.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N264 V265 G272 K274 V277 | N264-A268 WeakPolarHBondContact O-CB 3.48Å; N264-A268 PolarHBondContact O-N 2.57Å; V265-A268 PolarHBondContact O-N 3.22Å; A268-G272 PolarHBondContact O-N 2.67Å; A268-G272 VanDerWaalsContact O-N 3.16Å; A268-K274 HydrophobicContact CB-CB 4.35Å; A268-K274 HydrophobicContact CB-CD 3.87Å; A268-V277 HydrophobicContact CB-CG1 4.45Å; A268-V277 HydrophobicContact CB-CG2 4.42Å |
| 269 | L | 90.4 | Very high | 87.8 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 174.6 | -73.7 | 168.9 | 0 | 0 | 0 | 112.9 | V265 S267 V277 L292 I327 | V265-L269 HydrophobicContact CG1-CD1 3.83Å; V265-L269 WeakPolarHBondContact O-CB 3.4Å; V265-L269 WeakPolarHBondContact O-CG 3.24Å; V265-L269 PolarHBondContact O-N 2.98Å; S267-L269 PolarHBondContact O-N 3.34Å; L269-V277 HydrophobicContact CD1-CG1 4.41Å; L269-V277 HydrophobicContact CD2-CG1 4.41Å; L269-V277 HydrophobicContact CD2-CG2 3.91Å; L269-V277 HydrophobicContact CG-CG1 4.02Å; L269-V277 HydrophobicContact CG-CG2 4.2Å; L269-L292 HydrophobicContact CD1-CB 3.91Å; L269-I327 HydrophobicContact CB-CD1 3.83Å; L269-I327 HydrophobicContact CB-CG1 3.8Å; L269-I327 HydrophobicContact CB-CG2 4.05Å; L269-I327 HydrophobicContact CD1-CD1 4.17Å; L269-I327 HydrophobicContact CD1-CG2 4.1Å |
| 270 | A | 87.4 | Confident | 87.9 | Confident | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -72.6 | -31.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I266 S267 R323 T326 I327 | I266-A270 WeakPolarHBondContact O-CB 3.29Å; I266-A270 PolarHBondContact O-N 3.42Å; S267-A270 PolarHBondContact O-N 2.99Å; A270-R323 HydrophobicContact CB-CB 4.4Å; A270-T326 VanDerWaalsContact CB-OG1 3.31Å; A270-T326 WeakPolarHBondContact CB-OG1 3.36Å; A270-I327 HydrophobicContact CB-CG1 4.46Å |
| 271 | E | 86.3 | Confident | 88.1 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -76.8 | -32.3 | 175.5 | -72 | 162.4 | -151.8 | 0 | 0 | 112.5 | S267 T273 K274 | S267-E271 WeakPolarHBondContact O-CB 3.48Å; S267-E271 WeakPolarHBondContact O-CG 3.13Å; S267-E271 PolarHBondContact O-N 2.81Å; E271-T273 PolarHBondContact O-N 2.65Å; E271-K274 IonicContact OE1-NZ 2.74Å; E271-K274 WeakPolarHBondContact OE2-CE 3.29Å; E271-K274 IonicContact OE2-NZ 2.71Å; E271-K274 PolarHBondContact OE2-NZ 2.98Å |
| 272 | G | 77.1 | Confident | 88.1 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | trans | 68.7 | -10.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A268 | A268-G272 PolarHBondContact O-N 2.67Å; A268-G272 VanDerWaalsContact O-N 3.16Å | ||
| 273 | T | 67.4 | Low | 88.1 | Confident | 119 Ų | 119 | 57 Ų | 57 | 73% | 0.73 | 32% | 0.318 | S | S | * | . | trans | -81.7 | -16.7 | -177.8 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | E271 | E271-T273 PolarHBondContact O-N 2.65Š| ||
| 274 | K | 71.2 | Confident | 88.2 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | trans | -94.6 | 107.2 | -173.2 | -74.1 | 164.1 | 178 | 159.3 | 0 | 111.2 | A268 E271 H276 | A268-K274 HydrophobicContact CB-CB 4.35Å; A268-K274 HydrophobicContact CB-CD 3.87Å; E271-K274 IonicContact OE1-NZ 2.74Å; E271-K274 WeakPolarHBondContact OE2-CE 3.29Å; E271-K274 IonicContact OE2-NZ 2.71Å; E271-K274 PolarHBondContact OE2-NZ 2.98Å; K274-H276 PolarHBondContact O-N 2.85Å | ||
| 275 | S | 76.9 | Confident | 88.2 | Confident | 134 Ų | 134 | 52.5 Ų | 52.5 | 94% | 0.937 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -56.1 | -30.2 | 176 | -178.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 276 | H | 88.7 | Confident | 88.2 | Confident | 141 Ų | 141 | 54.9 Ų | 54.9 | 65% | 0.653 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -113.5 | 122 | 175.8 | 178 | -88.9 | 0 | 0 | 0 | 111.6 | K274 | K274-H276 PolarHBondContact O-N 2.85Š|
| 277 | V | 91.9 | Very high | 88.2 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -99.2 | 128.9 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | V265 A268 L269 Y279 | V265-V277 HydrophobicContact CB-CG1 4.25Å; V265-V277 HydrophobicContact CG1-CG1 3.9Å; V265-V277 HydrophobicContact CG2-CG1 4.17Å; A268-V277 HydrophobicContact CB-CG1 4.45Å; A268-V277 HydrophobicContact CB-CG2 4.42Å; L269-V277 HydrophobicContact CD1-CG1 4.41Å; L269-V277 HydrophobicContact CD2-CG1 4.41Å; L269-V277 HydrophobicContact CD2-CG2 3.91Å; L269-V277 HydrophobicContact CG-CG1 4.02Å; L269-V277 HydrophobicContact CG-CG2 4.2Å; V277-Y279 VanDerWaalsContact C-N 3.26Å; V277-Y279 HydrophobicContact CB-CD2 4.12Å; V277-Y279 HydrophobicContact CB-CE2 3.57Å; V277-Y279 HydrophobicContact CG1-CD1 4.33Å; V277-Y279 HydrophobicContact CG1-CD2 4.08Å; V277-Y279 HydrophobicContact CG1-CE1 3.84Å; V277-Y279 HydrophobicContact CG1-CE2 3.59Å; V277-Y279 HydrophobicContact CG1-CG 4.42Å; V277-Y279 VanDerWaalsContact CG1-CZ 3.43Å; V277-Y279 WeakPolarHBondContact O-CD2 3.24Å; V277-Y279 PolarHBondContact O-N 2.91Å | ||
| 278 | P | 93.6 | Very high | 88.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | trans | -81.7 | 53 | -166.2 | 34.4 | -38.6 | 0 | 0 | 0 | 114.3 | N264 V265 R280 D281 | N264-P278 HydrophobicContact CB-CG 4.09Å; V265-P278 HydrophobicContact CG2-CG 4.2Å; P278-R280 PolarHBondContact O-N 3.21Å; P278-D281 PolarHBondContact O-N 3.36Å | ||
| 279 | Y | 93.8 | Very high | 88.1 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 11% | 0.114 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -57.6 | -24.2 | 178.6 | -59.6 | -72.4 | 0 | 0 | 0 | 113.6 | V265 V277 D281 T285 R286 Q289 L292 | V265-Y279 HydrophobicContact CG1-CD1 3.82Å; V265-Y279 HydrophobicContact CG1-CE1 3.51Å; V265-Y279 HydrophobicContact CG2-CD1 4.03Å; V265-Y279 HydrophobicContact CG2-CE1 4.48Å; V277-Y279 VanDerWaalsContact C-N 3.26Å; V277-Y279 HydrophobicContact CB-CD2 4.12Å; V277-Y279 HydrophobicContact CB-CE2 3.57Å; V277-Y279 HydrophobicContact CG1-CD1 4.33Å; V277-Y279 HydrophobicContact CG1-CD2 4.08Å; V277-Y279 HydrophobicContact CG1-CE1 3.84Å; V277-Y279 HydrophobicContact CG1-CE2 3.59Å; V277-Y279 HydrophobicContact CG1-CG 4.42Å; V277-Y279 VanDerWaalsContact CG1-CZ 3.43Å; V277-Y279 WeakPolarHBondContact O-CD2 3.24Å; V277-Y279 PolarHBondContact O-N 2.91Å; Y279-D281 PolarHBondContact O-N 3.04Å; Y279-T285 CarbonylContact O-C 3.33Å; Y279-T285 VanDerWaalsContact O-C 3.31Å; Y279-T285 VanDerWaalsContact O-CB 3.29Å; Y279-T285 WeakPolarHBondContact O-CB 3.46Å; Y279-T285 PolarHBondContact O-OG1 3.48Å; Y279-R286 WeakPolarHBondContact O-CG 3.21Å; Y279-R286 PolarHBondContact O-N 3.37Å; Y279-R286 VanDerWaalsContact O-N 3.12Å; Y279-Q289 HydrophobicContact CD1-CB 3.91Å; Y279-Q289 HydrophobicContact CD1-CG 3.87Å; Y279-Q289 HydrophobicContact CD2-CG 3.71Å; Y279-Q289 HydrophobicContact CE1-CB 4.37Å; Y279-Q289 HydrophobicContact CE1-CG 4.1Å; Y279-Q289 HydrophobicContact CE2-CG 3.92Å; Y279-Q289 HydrophobicContact CG-CB 4.03Å; Y279-Q289 HydrophobicContact CG-CG 3.68Å; Y279-L292 HydrophobicContact CE1-CB 4.47Å; Y279-L292 PolarHBondContact OH-O 3.47Å |
| 280 | R | 92.8 | Very high | 88 | Confident | 160 Ų | 160 | 56.5 Ų | 56.5 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -79.3 | -8.9 | -174.9 | -69.8 | -174.3 | 165.2 | -175.4 | -5.5 | 115.2 | E158 P278 S282 R286 | E158-R280 IonicContact OE1-CZ 2.81Å; E158-R280 IonicContact OE1-NE 2.61Å; E158-R280 IonicContact OE1-NH2 2.63Å; E158-R280 PolarHBondContact OE1-NH2 2.87Å; E158-R280 IonicContact OE2-NH2 3.88Å; E158-R280 PolarHBondContact OE2-NH2 3.36Å; P278-R280 PolarHBondContact O-N 3.21Å; R280-S282 PolarHBondContact O-N 2.63Å; R280-R286 HydrophobicContact CG-CG 4.21Å |
| 281 | D | 92 | Very high | 88 | Confident | 67 Ų | 67 | 55 Ų | 55 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -63 | -27.5 | -177.5 | -71.7 | 11 | 0 | 0 | 0 | 114 | R257 A261 P278 Y279 | R257-D281 PolarHBondContact NE-O 3.12Å; R257-D281 PolarHBondContact NH2-O 3.24Å; A261-D281 HydrophobicContact CB-CB 3.62Å; P278-D281 PolarHBondContact O-N 3.36Å; Y279-D281 PolarHBondContact O-N 3.04Å |
| 282 | S | 94.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -140.2 | 154.3 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | E141 R280 M284 T285 R286 | E141-S282 WeakPolarHBondContact OE1-CB 3.45Å; E141-S282 VanDerWaalsContact OE2-CA 3.29Å; E141-S282 WeakPolarHBondContact OE2-CA 3.25Å; R280-S282 PolarHBondContact O-N 2.63Å; S282-M284 PolarHBondContact O-N 2.71Å; S282-T285 PolarHBondContact N-OG1 2.92Å; S282-T285 PolarHBondContact O-N 3.37Å; S282-T285 PolarHBondContact O-OG1 2.74Å; S282-T285 PolarHBondContact OG-N 2.84Å; S282-T285 PolarHBondContact OG-OG1 3.08Å; S282-R286 PolarHBondContact O-N 2.61Å |
| 283 | K | 93.3 | Very high | 88.4 | Confident | 41 Ų | 41 | 49 Ų | 49 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 171.4 | -69.5 | -171.6 | -171.1 | 168 | 0 | 112 | E141 I143 N153 L154 V156 R286 I287 | E141-K283 WeakPolarHBondContact O-CD 3.39Å; E141-K283 WeakPolarHBondContact O-CE 3.32Å; E141-K283 PolarHBondContact O-NZ 3.32Å; E141-K283 PolarHBondContact OE2-N 3.01Å; I143-K283 HydrophobicContact CD1-CB 4.33Å; I143-K283 HydrophobicContact CD1-CD 3.82Å; I143-K283 HydrophobicContact CG1-CD 3.84Å; N153-K283 PolarHBondContact OD1-NZ 3.4Å; L154-K283 PolarHBondContact O-NZ 3.48Å; L154-K283 VanDerWaalsContact O-NZ 3.07Å; V156-K283 HydrophobicContact CG2-CB 4.02Å; V156-K283 HydrophobicContact CG2-CD 4.47Å; V156-K283 HydrophobicContact CG2-CG 4.27Å; K283-R286 PolarHBondContact O-N 3.46Å; K283-I287 WeakPolarHBondContact O-CD1 3.15Å; K283-I287 WeakPolarHBondContact O-CG1 3.16Å; K283-I287 PolarHBondContact O-N 2.88Å |
| 284 | M | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -52.1 | 178.2 | -174.3 | 179.4 | 75.4 | 0 | 0 | 111.1 | I138 H206 L233 S258 L259 L262 S282 R286 I287 L288 | I138-M284 HydrophobicContact CD1-CB 3.81Å; I138-M284 HydrophobicContact CD1-CG 4.17Å; H206-M284 HydrophobicContact CB-SD 4.22Å; H206-M284 VanDerWaalsContact CG-SD 3.59Å; L233-M284 HydrophobicContact CD2-CE 4.35Å; L233-M284 HydrophobicContact CD2-SD 3.63Å; S258-M284 WeakPolarHBondContact O-CE 3.29Å; L259-M284 HydrophobicContact CD2-CE 4.22Å; L262-M284 HydrophobicContact CB-CE 3.87Å; L262-M284 HydrophobicContact CD2-CE 4.07Å; L262-M284 HydrophobicContact CG-CE 4.48Å; S282-M284 PolarHBondContact O-N 2.71Å; M284-R286 VanDerWaalsContact C-N 3.26Å; M284-R286 PolarHBondContact O-N 3.44Å; M284-I287 PolarHBondContact O-N 2.88Å; M284-I287 VanDerWaalsContact O-N 3.11Å; M284-L288 HydrophobicContact CG-CD1 3.69Å; M284-L288 HydrophobicContact CG-CG 4.48Å; M284-L288 WeakPolarHBondContact O-CB 3.46Å; M284-L288 VanDerWaalsContact O-CG 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.29Å; M284-L288 PolarHBondContact O-N 3.49Å |
| 285 | T | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -26.1 | 177.3 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | A261 L262 V265 Y279 S282 Q289 | A261-T285 HydrophobicContact CB-CG2 4.1Å; L262-T285 HydrophobicContact CB-CG2 4.11Å; L262-T285 HydrophobicContact CD1-CG2 4.47Å; V265-T285 HydrophobicContact CB-CG2 4.48Å; V265-T285 HydrophobicContact CG2-CG2 3.97Å; Y279-T285 CarbonylContact O-C 3.33Å; Y279-T285 VanDerWaalsContact O-C 3.31Å; Y279-T285 VanDerWaalsContact O-CB 3.29Å; Y279-T285 WeakPolarHBondContact O-CB 3.46Å; Y279-T285 PolarHBondContact O-OG1 3.48Å; S282-T285 PolarHBondContact N-OG1 2.92Å; S282-T285 PolarHBondContact O-N 3.37Å; S282-T285 PolarHBondContact O-OG1 2.74Å; S282-T285 PolarHBondContact OG-N 2.84Å; S282-T285 PolarHBondContact OG-OG1 3.08Å; T285-Q289 PolarHBondContact O-N 3.25Å |
| 286 | R | 93.6 | Very high | 90.8 | Very high | 51 Ų | 51 | 34 Ų | 34 | 19% | 0.192 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70 | -40.6 | 170.1 | -68.6 | -174.1 | 69.6 | -144.6 | -3.4 | 112.8 | V156 E158 P164 Y279 R280 S282 K283 M284 Q289 | V156-R286 HydrophobicContact CG1-CB 4.06Å; V156-R286 PolarHBondContact O-NH1 3.19Å; V156-R286 PolarHBondContact O-NH2 2.66Å; E158-R286 IonicContact OE1-CZ 2.71Å; E158-R286 IonicContact OE1-NE 2.63Å; E158-R286 IonicContact OE1-NH2 3.46Å; E158-R286 PolarHBondContact OE1-NH2 2.95Å; P164-R286 WeakPolarHBondContact CB-O 3.41Å; P164-R286 WeakPolarHBondContact CG-O 3.32Å; Y279-R286 WeakPolarHBondContact O-CG 3.21Å; Y279-R286 PolarHBondContact O-N 3.37Å; Y279-R286 VanDerWaalsContact O-N 3.12Å; R280-R286 HydrophobicContact CG-CG 4.21Å; S282-R286 PolarHBondContact O-N 2.61Å; K283-R286 PolarHBondContact O-N 3.46Å; M284-R286 VanDerWaalsContact C-N 3.26Å; M284-R286 PolarHBondContact O-N 3.44Å; R286-Q289 WeakPolarHBondContact O-CB 3.36Å |
| 287 | I | 92.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 177.2 | -68.6 | 159 | 0 | 0 | 0 | 110.5 | F136 I138 I143 V156 V166 I208 Y229 K283 M284 Q289 | F136-I287 HydrophobicContact CE2-CD1 4.01Å; F136-I287 HydrophobicContact CZ-CD1 4.44Å; I138-I287 HydrophobicContact CD1-CD1 3.92Å; I143-I287 HydrophobicContact CD1-CD1 3.86Å; V156-I287 HydrophobicContact CG1-CG1 4.09Å; V156-I287 HydrophobicContact CG2-CD1 3.85Å; V156-I287 HydrophobicContact CG2-CG1 3.72Å; V166-I287 HydrophobicContact CG2-CD1 3.77Å; V166-I287 HydrophobicContact CG2-CG1 4.11Å; I208-I287 HydrophobicContact CD1-CG2 4.48Å; Y229-I287 HydrophobicContact CE1-CG2 4.06Å; K283-I287 WeakPolarHBondContact O-CD1 3.15Å; K283-I287 WeakPolarHBondContact O-CG1 3.16Å; K283-I287 PolarHBondContact O-N 2.88Å; M284-I287 PolarHBondContact O-N 2.88Å; M284-I287 VanDerWaalsContact O-N 3.11Å; I287-Q289 VanDerWaalsContact C-N 3.27Å; I287-Q289 PolarHBondContact O-N 3.04Å |
| 288 | L | 89.6 | Confident | 91.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 10.9 | -177.5 | -56.1 | 172.6 | 0 | 0 | 0 | 113.7 | F83 V231 M284 D290 S291 L292 | F83-L288 HydrophobicContact CE1-CD1 3.44Å; F83-L288 VanDerWaalsContact CE1-CD1 3.44Å; F83-L288 HydrophobicContact CE1-CD2 3.62Å; F83-L288 HydrophobicContact CE1-CG 4.05Å; F83-L288 HydrophobicContact CZ-CB 4.29Å; F83-L288 HydrophobicContact CZ-CD1 3.82Å; F83-L288 HydrophobicContact CZ-CD2 3.81Å; F83-L288 HydrophobicContact CZ-CG 4.16Å; V231-L288 HydrophobicContact CG2-CD2 4.15Å; M284-L288 HydrophobicContact CG-CD1 3.69Å; M284-L288 HydrophobicContact CG-CG 4.48Å; M284-L288 WeakPolarHBondContact O-CB 3.46Å; M284-L288 VanDerWaalsContact O-CG 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.29Å; M284-L288 PolarHBondContact O-N 3.49Å; L288-D290 PolarHBondContact O-N 3.4Å; L288-S291 WeakPolarHBondContact O-CA 3.44Å; L288-S291 VanDerWaalsContact O-CB 3.29Å; L288-S291 WeakPolarHBondContact O-CB 3.34Å; L288-S291 PolarHBondContact O-N 3.27Å; L288-L292 HydrophobicContact CB-CD1 4.49Å; L288-L292 PolarHBondContact O-N 3.15Å |
| 289 | Q | 91.1 | Very high | 91.3 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 29% | 0.29 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -32.6 | -178 | 176.8 | 174 | -23.6 | 0 | 0 | 112.2 | P164 Y279 T285 R286 I287 S291 | P164-Q289 HydrophobicContact CG-CB 4.45Å; Y279-Q289 HydrophobicContact CD1-CB 3.91Å; Y279-Q289 HydrophobicContact CD1-CG 3.87Å; Y279-Q289 HydrophobicContact CD2-CG 3.71Å; Y279-Q289 HydrophobicContact CE1-CB 4.37Å; Y279-Q289 HydrophobicContact CE1-CG 4.1Å; Y279-Q289 HydrophobicContact CE2-CG 3.92Å; Y279-Q289 HydrophobicContact CG-CB 4.03Å; Y279-Q289 HydrophobicContact CG-CG 3.68Å; T285-Q289 PolarHBondContact O-N 3.25Å; R286-Q289 WeakPolarHBondContact O-CB 3.36Å; I287-Q289 VanDerWaalsContact C-N 3.27Å; I287-Q289 PolarHBondContact O-N 3.04Å; Q289-S291 VanDerWaalsContact C-N 3.35Å |
| 290 | D | 87.3 | Confident | 91.4 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -24.8 | 174.5 | -158.7 | 43.2 | 0 | 0 | 0 | 112.3 | N79 L288 G294 N295 C296 | N79-D290 PolarHBondContact ND2-OD2 2.91Å; L288-D290 PolarHBondContact O-N 3.4Å; D290-G294 CarbonylContact O-C 3.59Å; D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.36Å; D290-N295 PolarHBondContact O-N 3.01Å; D290-N295 WeakPolarHBondContact OD1-CA 3.04Å; D290-N295 VanDerWaalsContact OD1-CB 3.29Å; D290-N295 WeakPolarHBondContact OD1-CB 3.29Å; D290-N295 PolarHBondContact OD1-N 3.38Å; D290-C296 WeakPolarHBondContact O-CB 3.37Å |
| 291 | S | 88.5 | Confident | 91.7 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -20.7 | 179.3 | -48.1 | 0 | 0 | 0 | 0 | 113.9 | T81 L288 Q289 T298 N329 | T81-S291 WeakPolarHBondContact OG1-CB 3.46Å; T81-S291 PolarHBondContact OG1-OG 2.77Å; L288-S291 WeakPolarHBondContact O-CA 3.44Å; L288-S291 VanDerWaalsContact O-CB 3.29Å; L288-S291 WeakPolarHBondContact O-CB 3.34Å; L288-S291 PolarHBondContact O-N 3.27Å; Q289-S291 VanDerWaalsContact C-N 3.35Å; S291-T298 WeakPolarHBondContact O-CB 3.42Å; S291-T298 PolarHBondContact O-OG1 3.49Å; S291-N329 PolarHBondContact O-ND2 3.29Å |
| 292 | L | 88.5 | Confident | 91.9 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -131.6 | 107 | -171.1 | -58.6 | 172 | 0 | 0 | 0 | 108.4 | I10 F83 L262 V265 L269 Y279 L288 G294 | I10-L292 HydrophobicContact CD1-CD2 3.67Å; F83-L292 HydrophobicContact CE2-CD2 4Å; L262-L292 HydrophobicContact CD1-CD1 3.44Å; L262-L292 VanDerWaalsContact CD1-CD1 3.44Å; V265-L292 HydrophobicContact CG1-CB 4.39Å; V265-L292 HydrophobicContact CG1-CD1 4.09Å; L269-L292 HydrophobicContact CD1-CB 3.91Å; Y279-L292 HydrophobicContact CE1-CB 4.47Å; Y279-L292 PolarHBondContact OH-O 3.47Å; L288-L292 HydrophobicContact CB-CD1 4.49Å; L288-L292 PolarHBondContact O-N 3.15Å; L292-G294 PolarHBondContact O-N 3.4Å |
| 293 | G | 82.5 | Confident | 92.1 | Very high | 32 Ų | 32 | 16.7 Ų | 16.7 | 33% | 0.33 | 9% | 0.088 | S | C | . | . | S | Bend | trans | 71.4 | 15.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N329 | G293-N329 PolarHBondContact N-OD1 3.43Š|
| 294 | G | 86.4 | Confident | 92.3 | Very high | 15 Ų | 15 | 14.8 Ų | 14.8 | 16% | 0.155 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -124 | -159.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D290 L292 C296 N329 T330 | D290-G294 CarbonylContact O-C 3.59Å; D290-G294 VanDerWaalsContact O-CA 3.24Å; D290-G294 WeakPolarHBondContact O-CA 3.36Å; L292-G294 PolarHBondContact O-N 3.4Å; G294-C296 VanDerWaalsContact C-N 3.32Å; G294-C296 PolarHBondContact O-N 2.98Å; G294-C296 VanDerWaalsContact O-N 3.12Å; G294-N329 WeakPolarHBondContact O-CB 3.45Å; G294-T330 PolarHBondContact O-N 3.19Å |
| 295 | N | 88.9 | Confident | 92.4 | Very high | 26 Ų | 26 | 14.8 Ų | 14.8 | 14% | 0.139 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -86.3 | 59.3 | -174.8 | -178.1 | 33.2 | 0 | 0 | 0 | 112.7 | N79 D290 T330 T332 N334 | N79-N295 WeakPolarHBondContact CB-O 3.31Å; N79-N295 PolarHBondContact ND2-O 2.93Å; D290-N295 PolarHBondContact O-N 3.01Å; D290-N295 WeakPolarHBondContact OD1-CA 3.04Å; D290-N295 VanDerWaalsContact OD1-CB 3.29Å; D290-N295 WeakPolarHBondContact OD1-CB 3.29Å; D290-N295 PolarHBondContact OD1-N 3.38Å; N295-T330 WeakPolarHBondContact CA-O 3.41Å; N295-T332 VanDerWaalsContact CG-OG1 3.24Å; N295-T332 PolarHBondContact ND2-OG1 2.83Å; N295-T332 WeakPolarHBondContact OD1-CA 3.28Å; N295-T332 PolarHBondContact OD1-N 2.75Å; N295-T332 PolarHBondContact OD1-O 3.4Å; N295-T332 VanDerWaalsContact OD1-O 3.13Å; N295-T332 PolarHBondContact OD1-OG1 3.03Å; N295-N334 PolarHBondContact ND2-OD1 3.15Å |
| 296 | C | 91.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.007 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -149 | 139.9 | -173.8 | -168.2 | 0 | 0 | 0 | 0 | 114.2 | N79 G80 T81 D290 G294 T298 N329 V331 | N79-C296 VanDerWaalsContact C-SG 3.57Å; N79-C296 HydrophobicContact CB-CB 4.2Å; N79-C296 WeakPolarHBondContact O-CA 3.46Å; N79-C296 PolarHBondContact O-SG 3.26Å; G80-C296 VanDerWaalsContact CA-SG 3.52Å; T81-C296 PolarHBondContact N-SG 3.38Å; T81-C296 VanDerWaalsContact N-SG 3.41Å; T81-C296 PolarHBondContact OG1-SG 2.91Å; D290-C296 WeakPolarHBondContact O-CB 3.37Å; G294-C296 VanDerWaalsContact C-N 3.32Å; G294-C296 PolarHBondContact O-N 2.98Å; G294-C296 VanDerWaalsContact O-N 3.12Å; C296-T298 PolarHBondContact O-N 2.57Å; C296-N329 WeakPolarHBondContact O-CB 3.33Å; C296-N329 PolarHBondContact O-ND2 2.96Å; C296-V331 WeakPolarHBondContact O-CG2 3.5Å |
| 297 | R | 93.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 12.3 Ų | 12.3 | 27% | 0.272 | 7% | 0.07 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 101.2 | 166.6 | -63.6 | -160.3 | -167.1 | -90.4 | 25.7 | 110.1 | D73 N79 G80 T81 V331 | D73-R297 IonicContact OD1-CZ 2.69Å; D73-R297 IonicContact OD1-NE 2.69Å; D73-R297 PolarHBondContact OD1-NE 2.71Å; D73-R297 IonicContact OD1-NH2 3.6Å; D73-R297 PolarHBondContact OD1-NH2 3.33Å; D73-R297 VanDerWaalsContact OD2-CD 3.24Å; D73-R297 WeakPolarHBondContact OD2-CD 3.37Å; D73-R297 IonicContact OD2-CZ 2.86Å; D73-R297 IonicContact OD2-NE 3.39Å; D73-R297 PolarHBondContact OD2-NE 2.88Å; N79-R297 PolarHBondContact O-N 3.46Å; G80-R297 WeakPolarHBondContact CA-O 3.1Å; T81-R297 PolarHBondContact N-O 2.96Å; R297-V331 HydrophobicContact CG-CG1 3.89Å; R297-V331 HydrophobicContact CG-CG2 4.15Å |
| 298 | T | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.4 | -173.4 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | I10 K11 T81 F83 S291 C296 N329 | I10-T298 HydrophobicContact CD1-CG2 4.18Å; I10-T298 HydrophobicContact CG1-CG2 4.38Å; I10-T298 HydrophobicContact CG2-CG2 3.93Å; K11-T298 PolarHBondContact N-O 2.81Å; K11-T298 VanDerWaalsContact N-O 3.15Å; T81-T298 WeakPolarHBondContact O-CA 2.81Å; F83-T298 HydrophobicContact CD2-CG2 3.8Å; F83-T298 HydrophobicContact CE2-CG2 3.55Å; S291-T298 WeakPolarHBondContact O-CB 3.42Å; S291-T298 PolarHBondContact O-OG1 3.49Å; C296-T298 PolarHBondContact O-N 2.57Å; T298-N329 PolarHBondContact OG1-ND2 3.39Å |
| 299 | T | 95.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.6 | 170.6 | -74.5 | 0 | 0 | 0 | 0 | 110.3 | K11 L13 C66 I70 T81 I82 F83 F301 | K11-T299 CarbonylContact O-C 3.57Å; K11-T299 WeakPolarHBondContact O-CA 3.45Å; L13-T299 HydrophobicContact CD1-CG2 3.46Å; L13-T299 VanDerWaalsContact CD1-CG2 3.46Å; C66-T299 HydrophobicContact CB-CG2 4.16Å; I70-T299 WeakPolarHBondContact CD1-OG1 3.21Å; T81-T299 PolarHBondContact O-N 2.95Å; I82-T299 WeakPolarHBondContact CA-O 3.35Å; F83-T299 PolarHBondContact N-O 3.43Å; T299-F301 HydrophobicContact CG2-CD2 4.37Å; T299-F301 HydrophobicContact CG2-CE2 4.1Å |
| 300 | M | 96.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.5 | 179.3 | -177.5 | -177.7 | -67.6 | 0 | 0 | 111.2 | K11 V12 L13 F83 I266 I302 F320 A324 | K11-M300 PolarHBondContact O-N 3.29Å; V12-M300 WeakPolarHBondContact CA-O 3.46Å; V12-M300 HydrophobicContact CG2-CB 4.41Å; L13-M300 PolarHBondContact N-O 3.45Å; F83-M300 HydrophobicContact CB-CB 4.41Å; F83-M300 HydrophobicContact CB-CG 4.2Å; F83-M300 HydrophobicContact CD2-CE 4.34Å; I266-M300 HydrophobicContact CD1-CE 3.98Å; M300-I302 HydrophobicContact CG-CG2 4.14Å; M300-I302 HydrophobicContact SD-CG2 4.16Å; M300-F320 HydrophobicContact CE-CE1 4.01Å; M300-F320 HydrophobicContact SD-CD1 4.1Å; M300-F320 HydrophobicContact SD-CE1 3.66Å; M300-A324 HydrophobicContact CE-CB 3.81Å; M300-A324 HydrophobicContact SD-CB 3.67Å |
| 301 | F | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.3 | 166.9 | -74.9 | -84.4 | 0 | 0 | 0 | 110.5 | L13 F53 V62 C66 I82 F83 A84 Y85 T95 I108 T299 | L13-F301 HydrophobicContact CB-CD1 4.2Å; L13-F301 HydrophobicContact CB-CE1 4.16Å; L13-F301 CarbonylContact O-C 3.53Å; L13-F301 WeakPolarHBondContact O-CA 3.16Å; F53-F301 HydrophobicContact CD2-CE1 4.39Å; F53-F301 AromaticContact CE2-CE1 3.81Å; F53-F301 HydrophobicContact CE2-CE1 3.81Å; V62-F301 HydrophobicContact CG1-CE1 3.59Å; V62-F301 HydrophobicContact CG1-CZ 3.73Å; C66-F301 WeakPolarHBondContact SG-CZ 3.47Å; I82-F301 HydrophobicContact CG2-CD2 3.87Å; I82-F301 HydrophobicContact CG2-CE2 3.87Å; F83-F301 WeakPolarHBondContact O-CB 3.33Å; F83-F301 PolarHBondContact O-N 2.99Å; A84-F301 WeakPolarHBondContact CA-O 3.3Å; Y85-F301 PolarHBondContact N-O 3.21Å; T95-F301 HydrophobicContact CG2-CD1 4.11Å; T95-F301 HydrophobicContact CG2-CD2 4.42Å; T95-F301 HydrophobicContact CG2-CE1 4.37Å; T95-F301 HydrophobicContact CG2-CG 4.11Å; I108-F301 HydrophobicContact CD1-CD2 3.92Å; I108-F301 HydrophobicContact CD1-CE2 3.28Å; I108-F301 HydrophobicContact CD1-CZ 3.62Å; T299-F301 HydrophobicContact CG2-CD2 4.37Å; T299-F301 HydrophobicContact CG2-CE2 4.1Å |
| 302 | I | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 106 | 168.2 | 64.8 | -179.9 | 0 | 0 | 0 | 108.6 | V12 L13 C14 R15 Y49 Y85 M300 T317 L318 | V12-I302 HydrophobicContact CG1-CD1 4.01Å; V12-I302 HydrophobicContact CG1-CG1 4.29Å; V12-I302 HydrophobicContact CG1-CG2 4.11Å; L13-I302 PolarHBondContact O-N 2.83Å; C14-I302 WeakPolarHBondContact CA-O 3.32Å; C14-I302 HydrophobicContact CB-CD1 4.06Å; C14-I302 HydrophobicContact CB-CG1 3.76Å; R15-I302 PolarHBondContact N-O 2.92Å; Y49-I302 HydrophobicContact CD1-CD1 3.94Å; Y49-I302 HydrophobicContact CE1-CD1 3.4Å; Y49-I302 HydrophobicContact CE2-CD1 4.23Å; Y85-I302 HydrophobicContact CD1-CG2 4.36Å; M300-I302 HydrophobicContact CG-CG2 4.14Å; M300-I302 HydrophobicContact SD-CG2 4.16Å; I302-T317 HydrophobicContact CB-CG2 3.88Å; I302-L318 HydrophobicContact CD1-CD2 4.33Å |
| 303 | C | 97.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.8 | -175.3 | -65 | 0 | 0 | 0 | 0 | 110.4 | R15 Y85 S90 K92 | R15-C303 WeakPolarHBondContact O-CA 3.34Å; Y85-C303 PolarHBondContact O-N 3.49Å; S90-C303 WeakPolarHBondContact CB-O 3.32Å; S90-C303 VanDerWaalsContact OG-CB 3.23Å; S90-C303 WeakPolarHBondContact OG-CB 3.27Å; S90-C303 PolarHBondContact OG-O 3.42Å; K92-C303 HydrophobicContact CG-CB 4.08Å |
| 304 | C | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 146 | -168.9 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | R15 F16 R17 T314 | R15-C304 PolarHBondContact O-N 3.2Å; F16-C304 HydrophobicContact CD1-CB 3.62Å; F16-C304 HydrophobicContact CD2-CB 4.31Å; F16-C304 HydrophobicContact CE1-CB 3.46Å; F16-C304 VanDerWaalsContact CE1-CB 3.46Å; F16-C304 HydrophobicContact CE2-CB 4.18Å; F16-C304 HydrophobicContact CG-CB 4.06Å; F16-C304 HydrophobicContact CZ-CB 3.77Å; R17-C304 PolarHBondContact N-O 3.47Å; C304-T314 HydrophobicContact CB-CG2 3.83Å |
| 305 | S | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -90.5 | 137.9 | 165.2 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | R17 E23 S307 N310 T314 | R17-S305 PolarHBondContact NH2-OG 2.69Å; E23-S305 PolarHBondContact OE1-OG 3.06Å; S305-S307 PolarHBondContact O-N 3.37Å; S305-S307 WeakPolarHBondContact OG-CB 3.28Å; S305-S307 PolarHBondContact OG-N 3.49Å; S305-N310 PolarHBondContact OG-ND2 3.35Å; S305-T314 PolarHBondContact O-OG1 2.86Å | ||
| 306 | P | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -81.1 | 0.6 | 175.4 | 35.4 | -37.9 | 0 | 0 | 0 | 113.4 | F16 R17 L19 F30 I31 P32 | F16-P306 HydrophobicContact CD1-CB 4.24Å; R17-P306 WeakPolarHBondContact O-CD 3.42Å; R17-P306 VanDerWaalsContact O-CG 3.24Å; R17-P306 WeakPolarHBondContact O-CG 3.5Å; L19-P306 HydrophobicContact CD2-CG 3.85Å; L19-P306 HydrophobicContact CG-CG 3.94Å; F30-P306 WeakPolarHBondContact CA-O 3.37Å; F30-P306 HydrophobicContact CD2-CB 3.62Å; F30-P306 HydrophobicContact CD2-CG 3.97Å; F30-P306 HydrophobicContact CE2-CB 3.5Å; F30-P306 HydrophobicContact CE2-CG 3.87Å; F30-P306 HydrophobicContact CG-CB 4.3Å; F30-P306 HydrophobicContact CZ-CB 4.11Å; I31-P306 VanDerWaalsContact CG1-O 3.31Å; I31-P306 WeakPolarHBondContact CG1-O 3.42Å; I31-P306 PolarHBondContact N-O 3.34Å; P32-P306 HydrophobicContact CG-CB 3.67Å | ||
| 307 | S | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -73.6 | 137.5 | -176.7 | 157.1 | 0 | 0 | 0 | 0 | 113.3 | D28 S305 Y309 N310 D311 | D28-S307 WeakPolarHBondContact CB-OG 3.23Å; D28-S307 WeakPolarHBondContact OD2-CB 3.49Å; D28-S307 PolarHBondContact OD2-OG 3.14Å; S305-S307 PolarHBondContact O-N 3.37Å; S305-S307 WeakPolarHBondContact OG-CB 3.28Å; S305-S307 PolarHBondContact OG-N 3.49Å; S307-Y309 PolarHBondContact O-N 3.06Å; S307-Y309 WeakPolarHBondContact OG-CB 3.07Å; S307-Y309 PolarHBondContact OG-N 2.72Å; S307-N310 WeakPolarHBondContact O-CA 3.29Å; S307-N310 PolarHBondContact O-N 3.44Å; S307-D311 PolarHBondContact O-N 2.76Å |
| 308 | S | 93.6 | Very high | 95 | Very high | 51 Ų | 51 | 20.7 Ų | 20.7 | 36% | 0.357 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -57 | -25.7 | 170.2 | 55.5 | 0 | 0 | 0 | 0 | 115 | K29 N310 | K29-S308 PolarHBondContact N-OG 2.83Å; K29-S308 PolarHBondContact O-N 2.9Å; S308-N310 PolarHBondContact O-N 2.85Å |
| 309 | Y | 91.1 | Very high | 95 | Very high | 129 Ų | 129 | 24 Ų | 24 | 51% | 0.506 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -72.1 | -19.6 | 174.6 | -174.6 | -92.9 | 0 | 0 | 0 | 112.8 | K241 S307 | K241-Y309 PolarHBondContact NZ-O 3.27Å; K241-Y309 VanDerWaalsContact NZ-O 3.16Å; S307-Y309 PolarHBondContact O-N 3.06Å; S307-Y309 WeakPolarHBondContact OG-CB 3.07Å; S307-Y309 PolarHBondContact OG-N 2.72Å |
| 310 | N | 91.6 | Very high | 95 | Very high | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -108.1 | 13.5 | -177.4 | -69.4 | -41.6 | 0 | 0 | 0 | 112.9 | E23 Q87 S305 S307 S308 A312 E313 T314 | E23-N310 PolarHBondContact OE1-ND2 3.45Å; Q87-N310 PolarHBondContact NE2-OD1 3.36Å; Q87-N310 VanDerWaalsContact OE1-CB 3.28Å; Q87-N310 VanDerWaalsContact OE1-CG 3.26Å; Q87-N310 PolarHBondContact OE1-OD1 3.49Å; S305-N310 PolarHBondContact OG-ND2 3.35Å; S307-N310 WeakPolarHBondContact O-CA 3.29Å; S307-N310 PolarHBondContact O-N 3.44Å; S308-N310 PolarHBondContact O-N 2.85Å; N310-A312 PolarHBondContact O-N 3.12Å; N310-E313 PolarHBondContact O-N 2.9Å; N310-T314 VanDerWaalsContact O-CB 3.28Å; N310-T314 WeakPolarHBondContact O-CB 3.23Å; N310-T314 PolarHBondContact O-N 2.86Å; N310-T314 PolarHBondContact O-OG1 2.74Å |
| 311 | D | 92.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 24 Ų | 24 | 24% | 0.241 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.7 | -53.9 | -179.7 | 172.7 | 66.9 | 0 | 0 | 0 | 113.1 | I31 F42 S307 E313 T314 K315 | I31-D311 HydrophobicContact CD1-CB 3.86Å; F42-D311 HydrophobicContact CE1-CB 4.44Å; F42-D311 VanDerWaalsContact CE1-OD1 3.28Å; F42-D311 WeakPolarHBondContact CE1-OD1 3.33Å; S307-D311 PolarHBondContact O-N 2.76Å; D311-E313 PolarHBondContact O-N 2.99Å; D311-T314 PolarHBondContact O-N 3.44Å; D311-K315 WeakPolarHBondContact O-CB 3.49Å; D311-K315 WeakPolarHBondContact O-CG 3.36Å; D311-K315 PolarHBondContact O-N 3.22Å; D311-K315 WeakPolarHBondContact OD1-CE 3.4Å; D311-K315 IonicContact OD1-NZ 2.72Å; D311-K315 PolarHBondContact OD1-NZ 3.23Å; D311-K315 IonicContact OD2-NZ 3.66Å; D311-K315 PolarHBondContact OD2-NZ 2.86Å |
| 312 | A | 91.7 | Very high | 94.8 | Very high | 60 Ų | 60 | 26.8 Ų | 26.8 | 50% | 0.496 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.1 | -41.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N310 S316 | N310-A312 PolarHBondContact O-N 3.12Å; A312-S316 PolarHBondContact O-N 3.19Å; A312-S316 PolarHBondContact O-OG 2.82Å; A312-S316 VanDerWaalsContact O-OG 3.12Å |
| 313 | E | 92.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.7 | -35.3 | 179.7 | -61.9 | -59.5 | 163.9 | 0 | 0 | 111.6 | Q87 E237 K238 K241 N310 D311 S316 T317 | Q87-E313 HydrophobicContact CB-CB 4.41Å; E237-E313 HydrophobicContact CB-CG 4.45Å; K238-E313 PolarHBondContact N-OE1 3.37Å; K241-E313 HydrophobicContact CD-CG 4.1Å; N310-E313 PolarHBondContact O-N 2.9Å; D311-E313 PolarHBondContact O-N 2.99Å; E313-S316 PolarHBondContact O-N 2.86Å; E313-T317 WeakPolarHBondContact O-CB 3.29Å; E313-T317 PolarHBondContact O-N 2.95Å; E313-T317 PolarHBondContact O-OG1 2.69Å |
| 314 | T | 95.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.9 | -43.6 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | F16 F42 C304 S305 N310 D311 S316 T317 L318 | F16-T314 HydrophobicContact CE1-CG2 3.94Å; F16-T314 HydrophobicContact CZ-CG2 4.17Å; F42-T314 HydrophobicContact CD1-CG2 4.25Å; F42-T314 HydrophobicContact CD2-CG2 4.17Å; F42-T314 HydrophobicContact CE1-CG2 3.71Å; F42-T314 HydrophobicContact CE2-CG2 3.61Å; F42-T314 HydrophobicContact CG-CG2 4.45Å; F42-T314 HydrophobicContact CZ-CG2 3.34Å; C304-T314 HydrophobicContact CB-CG2 3.83Å; S305-T314 PolarHBondContact O-OG1 2.86Å; N310-T314 VanDerWaalsContact O-CB 3.28Å; N310-T314 WeakPolarHBondContact O-CB 3.23Å; N310-T314 PolarHBondContact O-N 2.86Å; N310-T314 PolarHBondContact O-OG1 2.74Å; D311-T314 PolarHBondContact O-N 3.44Å; T314-S316 VanDerWaalsContact C-N 3.34Å; T314-S316 PolarHBondContact O-N 2.88Å; T314-T317 WeakPolarHBondContact O-CB 3.04Å; T314-T317 PolarHBondContact O-N 3.37Å; T314-L318 HydrophobicContact CG2-CD1 3.98Å; T314-L318 HydrophobicContact CG2-CG 4.37Å; T314-L318 WeakPolarHBondContact O-CB 3.46Å; T314-L318 WeakPolarHBondContact O-CG 3.46Å; T314-L318 PolarHBondContact O-N 2.89Å |
| 315 | K | 95.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 34.3 Ų | 34.3 | 27% | 0.274 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 170.7 | -76.9 | 167.9 | 175.1 | 161.1 | 0 | 112.2 | F42 D311 L318 M319 | F42-K315 HydrophobicContact CD1-CG 3.75Å; F42-K315 HydrophobicContact CE1-CG 3.97Å; D311-K315 WeakPolarHBondContact O-CB 3.49Å; D311-K315 WeakPolarHBondContact O-CG 3.36Å; D311-K315 PolarHBondContact O-N 3.22Å; D311-K315 WeakPolarHBondContact OD1-CE 3.4Å; D311-K315 IonicContact OD1-NZ 2.72Å; D311-K315 PolarHBondContact OD1-NZ 3.23Å; D311-K315 IonicContact OD2-NZ 3.66Å; D311-K315 PolarHBondContact OD2-NZ 2.86Å; K315-L318 PolarHBondContact O-N 3.22Å; K315-M319 WeakPolarHBondContact O-CB 3.36Å; K315-M319 VanDerWaalsContact O-CG 3.26Å; K315-M319 WeakPolarHBondContact O-CG 3.21Å; K315-M319 PolarHBondContact O-N 2.77Å |
| 316 | S | 94 | Very high | 94 | Very high | 54 Ų | 54 | 38.3 Ų | 38.3 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 175.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | A312 E313 T314 M319 F320 | A312-S316 PolarHBondContact O-N 3.19Å; A312-S316 PolarHBondContact O-OG 2.82Å; A312-S316 VanDerWaalsContact O-OG 3.12Å; E313-S316 PolarHBondContact O-N 2.86Å; T314-S316 VanDerWaalsContact C-N 3.34Å; T314-S316 PolarHBondContact O-N 2.88Å; S316-M319 PolarHBondContact O-N 3.46Å; S316-F320 WeakPolarHBondContact O-CB 3.4Å; S316-F320 PolarHBondContact O-N 3.41Å |
| 317 | T | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.7 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | Y85 I302 E313 T314 F320 G321 | Y85-T317 HydrophobicContact CD1-CG2 4.22Å; Y85-T317 HydrophobicContact CE1-CG2 4.42Å; I302-T317 HydrophobicContact CB-CG2 3.88Å; E313-T317 WeakPolarHBondContact O-CB 3.29Å; E313-T317 PolarHBondContact O-N 2.95Å; E313-T317 PolarHBondContact O-OG1 2.69Å; T314-T317 WeakPolarHBondContact O-CB 3.04Å; T314-T317 PolarHBondContact O-N 3.37Å; T317-F320 PolarHBondContact O-N 3.44Å; T317-G321 PolarHBondContact O-N 3.04Å; T317-G321 VanDerWaalsContact O-N 3.14Å |
| 318 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 175.9 | -70.5 | 167.5 | 0 | 0 | 0 | 111.6 | V40 F42 Y47 Y49 I302 T314 K315 F320 G321 Q322 | V40-L318 HydrophobicContact CG1-CD2 3.98Å; F42-L318 HydrophobicContact CB-CD1 3.82Å; F42-L318 HydrophobicContact CD1-CD1 4.09Å; F42-L318 HydrophobicContact CD2-CD1 4.49Å; F42-L318 HydrophobicContact CG-CD1 3.88Å; Y47-L318 HydrophobicContact CD1-CB 3.64Å; Y47-L318 HydrophobicContact CD1-CD1 4.46Å; Y47-L318 HydrophobicContact CD1-CG 4.49Å; Y47-L318 HydrophobicContact CD2-CD1 4.05Å; Y47-L318 HydrophobicContact CE1-CB 3.61Å; Y47-L318 HydrophobicContact CE1-CD1 4.43Å; Y47-L318 HydrophobicContact CE2-CD1 4.04Å; Y47-L318 HydrophobicContact CG-CB 4.19Å; Y47-L318 HydrophobicContact CG-CD1 4.27Å; Y49-L318 HydrophobicContact CE2-CD2 3.65Å; Y49-L318 WeakPolarHBondContact OH-CA 3.29Å; Y49-L318 VanDerWaalsContact OH-CB 3.31Å; Y49-L318 WeakPolarHBondContact OH-CB 3.37Å; Y49-L318 WeakPolarHBondContact OH-CD2 3.28Å; Y49-L318 PolarHBondContact OH-O 3.29Å; I302-L318 HydrophobicContact CD1-CD2 4.33Å; T314-L318 HydrophobicContact CG2-CD1 3.98Å; T314-L318 HydrophobicContact CG2-CG 4.37Å; T314-L318 WeakPolarHBondContact O-CB 3.46Å; T314-L318 WeakPolarHBondContact O-CG 3.46Å; T314-L318 PolarHBondContact O-N 2.89Å; K315-L318 PolarHBondContact O-N 3.22Å; L318-F320 VanDerWaalsContact C-N 3.28Å; L318-F320 PolarHBondContact O-N 2.92Å; L318-G321 PolarHBondContact O-N 2.64Å; L318-Q322 WeakPolarHBondContact O-CG 3.32Å; L318-Q322 PolarHBondContact O-N 3.07Å |
| 319 | M | 94.8 | Very high | 93.3 | Very high | 74 Ų | 74 | 43.3 Ų | 43.3 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -33.6 | 177.7 | -71.4 | -63.5 | -56.4 | 0 | 0 | 112.9 | K45 Y47 K315 S316 R323 | K45-M319 PolarHBondContact NZ-SD 2.79Å; Y47-M319 HydrophobicContact CE1-CG 4.12Å; Y47-M319 HydrophobicContact CE1-SD 3.76Å; K315-M319 WeakPolarHBondContact O-CB 3.36Å; K315-M319 VanDerWaalsContact O-CG 3.26Å; K315-M319 WeakPolarHBondContact O-CG 3.21Å; K315-M319 PolarHBondContact O-N 2.77Å; S316-M319 PolarHBondContact O-N 3.46Å; M319-R323 PolarHBondContact O-N 2.94Å |
| 320 | F | 94.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.022 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 173.3 | 179.7 | -87.6 | 0 | 0 | 0 | 111.3 | Y85 L262 I266 M300 S316 T317 L318 Q322 R323 A324 | Y85-F320 AromaticContact CD1-CD1 3.48Å; Y85-F320 HydrophobicContact CD1-CD1 3.48Å; Y85-F320 VanDerWaalsContact CD1-CD1 3.48Å; Y85-F320 AromaticContact CD1-CE1 3.69Å; Y85-F320 HydrophobicContact CD1-CE1 3.69Å; Y85-F320 HydrophobicContact CD1-CG 4.14Å; Y85-F320 HydrophobicContact CD1-CZ 4.48Å; Y85-F320 HydrophobicContact CD2-CD1 4.41Å; Y85-F320 AromaticContact CD2-CE1 3.83Å; Y85-F320 HydrophobicContact CD2-CE1 3.83Å; Y85-F320 AromaticContact CD2-CZ 3.99Å; Y85-F320 HydrophobicContact CD2-CZ 3.99Å; Y85-F320 HydrophobicContact CE1-CB 3.84Å; Y85-F320 AromaticContact CE1-CD1 3.32Å; Y85-F320 HydrophobicContact CE1-CD1 3.32Å; Y85-F320 HydrophobicContact CE1-CD2 4.04Å; Y85-F320 AromaticContact CE1-CE1 3.74Å; Y85-F320 HydrophobicContact CE1-CE1 3.74Å; Y85-F320 HydrophobicContact CE1-CE2 4.4Å; Y85-F320 AromaticContact CE1-CG 3.48Å; Y85-F320 HydrophobicContact CE1-CG 3.48Å; Y85-F320 VanDerWaalsContact CE1-CG 3.48Å; Y85-F320 HydrophobicContact CE1-CZ 4.25Å; Y85-F320 HydrophobicContact CE2-CD1 4.28Å; Y85-F320 HydrophobicContact CE2-CD2 4.38Å; Y85-F320 AromaticContact CE2-CE1 3.87Å; Y85-F320 HydrophobicContact CE2-CE1 3.87Å; Y85-F320 AromaticContact CE2-CE2 3.99Å; Y85-F320 HydrophobicContact CE2-CE2 3.99Å; Y85-F320 AromaticContact CE2-CZ 3.71Å; Y85-F320 HydrophobicContact CE2-CZ 3.71Å; Y85-F320 HydrophobicContact CG-CD1 4.04Å; Y85-F320 AromaticContact CG-CE1 3.73Å; Y85-F320 HydrophobicContact CG-CE1 3.73Å; Y85-F320 HydrophobicContact CG-CZ 4.36Å; Y85-F320 AromaticContact CZ-CD1 3.74Å; Y85-F320 AromaticContact CZ-CD2 3.72Å; Y85-F320 AromaticContact CZ-CE1 3.82Å; Y85-F320 AromaticContact CZ-CE2 3.81Å; Y85-F320 AromaticContact CZ-CG 3.69Å; Y85-F320 AromaticContact CZ-CZ 3.85Å; Y85-F320 WeakPolarHBondContact OH-CD2 3.47Å; L262-F320 HydrophobicContact CD2-CZ 4Å; L262-F320 HydrophobicContact CG-CZ 4.12Å; I266-F320 HydrophobicContact CD1-CE1 3.86Å; I266-F320 HydrophobicContact CD1-CE2 3.94Å; I266-F320 HydrophobicContact CD1-CZ 3.36Å; M300-F320 HydrophobicContact CE-CE1 4.01Å; M300-F320 HydrophobicContact SD-CD1 4.1Å; M300-F320 HydrophobicContact SD-CE1 3.66Å; S316-F320 WeakPolarHBondContact O-CB 3.4Å; S316-F320 PolarHBondContact O-N 3.41Å; T317-F320 PolarHBondContact O-N 3.44Å; L318-F320 VanDerWaalsContact C-N 3.28Å; L318-F320 PolarHBondContact O-N 2.92Å; F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 PolarHBondContact O-N 3.16Å; F320-R323 PolarHBondContact O-N 3.23Å; F320-A324 PolarHBondContact O-N 3.42Å; F320-A324 VanDerWaalsContact O-N 3.1Å |
| 321 | G | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T317 L318 R323 A324 K325 | T317-G321 PolarHBondContact O-N 3.04Å; T317-G321 VanDerWaalsContact O-N 3.14Å; L318-G321 PolarHBondContact O-N 2.64Å; G321-R323 VanDerWaalsContact C-N 3.28Å; G321-R323 PolarHBondContact O-N 2.85Å; G321-A324 PolarHBondContact O-N 3.24Å; G321-K325 PolarHBondContact O-N 2.83Å; G321-K325 VanDerWaalsContact O-N 3.08Å |
| 322 | Q | 94.8 | Very high | 92.6 | Very high | 58 Ų | 58 | 42 Ų | 42 | 27% | 0.271 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -35.5 | 176.2 | -67.4 | -161.8 | -65.8 | 0 | 0 | 112.4 | Y47 Y49 L318 F320 | Y47-Q322 HydrophobicContact CD1-CG 4.14Å; Y49-Q322 HydrophobicContact CE1-CG 4.13Å; L318-Q322 WeakPolarHBondContact O-CG 3.32Å; L318-Q322 PolarHBondContact O-N 3.07Å; F320-Q322 VanDerWaalsContact C-N 3.33Å; F320-Q322 PolarHBondContact O-N 3.16Å |
| 323 | R | 93.7 | Very high | 92.4 | Very high | 102 Ų | 102 | 42.2 Ų | 42.2 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -74.5 | -37.5 | 173.7 | -65.6 | -174.1 | -61 | -119.9 | -1 | 112.5 | I266 A270 M319 F320 G321 K325 T326 | I266-R323 HydrophobicContact CG2-CB 3.91Å; A270-R323 HydrophobicContact CB-CB 4.4Å; M319-R323 PolarHBondContact O-N 2.94Å; F320-R323 PolarHBondContact O-N 3.23Å; G321-R323 VanDerWaalsContact C-N 3.28Å; G321-R323 PolarHBondContact O-N 2.85Å; R323-K325 VanDerWaalsContact C-N 3.3Å; R323-K325 PolarHBondContact O-N 2.89Å; R323-T326 PolarHBondContact O-N 2.93Å; R323-T326 PolarHBondContact O-OG1 2.89Å; R323-T326 VanDerWaalsContact O-OG1 3.07Å |
| 324 | A | 94 | Very high | 92 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 I266 M300 F320 G321 T326 I327 | V12-A324 HydrophobicContact CG2-CB 3.94Å; I266-A324 HydrophobicContact CG2-CB 4.43Å; M300-A324 HydrophobicContact CE-CB 3.81Å; M300-A324 HydrophobicContact SD-CB 3.67Å; F320-A324 PolarHBondContact O-N 3.42Å; F320-A324 VanDerWaalsContact O-N 3.1Å; G321-A324 PolarHBondContact O-N 3.24Å; A324-T326 VanDerWaalsContact C-N 3.25Å; A324-T326 PolarHBondContact O-N 3.31Å; A324-I327 WeakPolarHBondContact O-CB 3.34Å; A324-I327 PolarHBondContact O-N 3.4Å |
| 325 | K | 93.4 | Very high | 91.4 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.9 | -179 | -180 | 164.2 | 165.8 | 132.5 | 0 | 114.5 | V12 Y49 D50 G321 R323 | V12-K325 HydrophobicContact CB-CB 4.23Å; V12-K325 HydrophobicContact CG2-CB 3.76Å; Y49-K325 PolarHBondContact O-NZ 2.9Å; D50-K325 IonicContact OD1-NZ 3.35Å; D50-K325 PolarHBondContact OD1-NZ 3.27Å; D50-K325 IonicContact OD2-NZ 2.8Å; D50-K325 PolarHBondContact OD2-NZ 2.96Å; G321-K325 PolarHBondContact O-N 2.83Å; G321-K325 VanDerWaalsContact O-N 3.08Å; R323-K325 VanDerWaalsContact C-N 3.3Å; R323-K325 PolarHBondContact O-N 2.89Å |
| 326 | T | 91.2 | Very high | 90.5 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.3 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | A270 R323 A324 | A270-T326 VanDerWaalsContact CB-OG1 3.31Å; A270-T326 WeakPolarHBondContact CB-OG1 3.36Å; R323-T326 PolarHBondContact O-N 2.93Å; R323-T326 PolarHBondContact O-OG1 2.89Å; R323-T326 VanDerWaalsContact O-OG1 3.07Å; A324-T326 VanDerWaalsContact C-N 3.25Å; A324-T326 PolarHBondContact O-N 3.31Å |
| 327 | I | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -75.6 | 135.8 | 179.7 | -59.6 | 175.2 | 0 | 0 | 0 | 110.3 | N9 I10 I266 L269 A270 A324 | N9-I327 CarbonylContact C-O 3.58Å; N9-I327 VanDerWaalsContact CA-O 3.31Å; N9-I327 WeakPolarHBondContact CA-O 3.15Å; I10-I327 HydrophobicContact CD1-CB 3.8Å; I10-I327 HydrophobicContact CD1-CD1 4.25Å; I10-I327 HydrophobicContact CD1-CG2 3.63Å; I10-I327 HydrophobicContact CG1-CB 4.08Å; I10-I327 HydrophobicContact CG1-CG2 4.07Å; I10-I327 PolarHBondContact N-O 2.78Å; I266-I327 HydrophobicContact CB-CD1 4.07Å; I266-I327 HydrophobicContact CG1-CD1 3.87Å; I266-I327 HydrophobicContact CG2-CD1 4.03Å; L269-I327 HydrophobicContact CB-CD1 3.83Å; L269-I327 HydrophobicContact CB-CG1 3.8Å; L269-I327 HydrophobicContact CB-CG2 4.05Å; L269-I327 HydrophobicContact CD1-CD1 4.17Å; L269-I327 HydrophobicContact CD1-CG2 4.1Å; A270-I327 HydrophobicContact CB-CG1 4.46Å; A324-I327 WeakPolarHBondContact O-CB 3.34Å; A324-I327 PolarHBondContact O-N 3.4Å | ||
| 328 | R | 89.3 | Confident | 88 | Confident | 154 Ų | 154 | 47.2 Ų | 47.2 | 58% | 0.581 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139 | 171.9 | -50.9 | -166.2 | -172.4 | 179.6 | 2.2 | 110.8 | E7 | E7-R328 WeakPolarHBondContact OE2-CD 3.4Å; E7-R328 IonicContact OE2-CZ 3.48Å; E7-R328 IonicContact OE2-NE 3.37Å; E7-R328 IonicContact OE2-NH1 2.66Å; E7-R328 PolarHBondContact OE2-NH1 2.87Å |
| 329 | N | 89.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.4 | 170.3 | -73.4 | 12.7 | 0 | 0 | 0 | 108.8 | E7 C8 S291 G293 G294 C296 T298 V331 | E7-N329 WeakPolarHBondContact CA-O 3.43Å; C8-N329 PolarHBondContact N-O 3.38Å; C8-N329 PolarHBondContact O-N 2.83Å; S291-N329 PolarHBondContact O-ND2 3.29Å; G293-N329 PolarHBondContact N-OD1 3.43Å; G294-N329 WeakPolarHBondContact O-CB 3.45Å; C296-N329 WeakPolarHBondContact O-CB 3.33Å; C296-N329 PolarHBondContact O-ND2 2.96Å; T298-N329 PolarHBondContact OG1-ND2 3.39Å; N329-V331 HydrophobicContact CB-CG2 4.34Å |
| 330 | T | 87.3 | Confident | 85.5 | Confident | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.454 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 97.4 | -178.1 | -56.6 | 0 | 0 | 0 | 0 | 109.3 | A6 G294 N295 | A6-T330 HydrophobicContact CB-CG2 4.22Å; A6-T330 CarbonylContact O-C 3.51Å; A6-T330 WeakPolarHBondContact O-CA 3.29Å; G294-T330 PolarHBondContact O-N 3.19Å; N295-T330 WeakPolarHBondContact CA-O 3.41Å |
| 331 | V | 86.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | trans | -96.3 | 130 | -164.3 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | A6 C8 Y78 C296 R297 N329 | A6-V331 PolarHBondContact O-N 3.28Å; C8-V331 VanDerWaalsContact SG-CG2 3.51Å; Y78-V331 HydrophobicContact CD1-CG1 3.34Å; Y78-V331 HydrophobicContact CE1-CG1 3.73Å; Y78-V331 HydrophobicContact CG-CG1 4.05Å; C296-V331 WeakPolarHBondContact O-CG2 3.5Å; R297-V331 HydrophobicContact CG-CG1 3.89Å; R297-V331 HydrophobicContact CG-CG2 4.15Å; N329-V331 HydrophobicContact CB-CG2 4.34Å | ||
| 332 | T | 86.2 | Confident | 83.4 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 44% | 0.442 | 32% | 0.321 | S | S | . | . | trans | -140.7 | 150.2 | -174.2 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | Y78 N295 | Y78-T332 WeakPolarHBondContact CD1-O 3.4Å; N295-T332 VanDerWaalsContact CG-OG1 3.24Å; N295-T332 PolarHBondContact ND2-OG1 2.83Å; N295-T332 WeakPolarHBondContact OD1-CA 3.28Å; N295-T332 PolarHBondContact OD1-N 2.75Å; N295-T332 PolarHBondContact OD1-O 3.4Å; N295-T332 VanDerWaalsContact OD1-O 3.13Å; N295-T332 PolarHBondContact OD1-OG1 3.03Å | ||
| 333 | V | 87.5 | Confident | 82.5 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | trans | -78.1 | 127.1 | -177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | Y78 L224 L335 | Y78-V333 HydrophobicContact CD1-CG2 4.06Å; Y78-V333 HydrophobicContact CE1-CB 4.35Å; Y78-V333 HydrophobicContact CE1-CG2 3.4Å; Y78-V333 VanDerWaalsContact CE1-CG2 3.4Å; Y78-V333 HydrophobicContact CE2-CG2 4.19Å; Y78-V333 VanDerWaalsContact CZ-CG2 3.48Å; L224-V333 HydrophobicContact CD2-CG1 3.31Å; V333-L335 VanDerWaalsContact C-N 3.31Å; V333-L335 PolarHBondContact O-N 2.91Å | ||
| 334 | N | 84 | Confident | 81.6 | Confident | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | trans | -80.3 | 76 | 177.3 | -61.1 | -47.8 | 0 | 0 | 0 | 111.1 | G77 N79 C225 N295 | G77-N334 WeakPolarHBondContact O-CB 3.44Å; G77-N334 PolarHBondContact O-N 2.66Å; G77-N334 PolarHBondContact O-ND2 2.8Å; N79-N334 VanDerWaalsContact CG-ND2 3.29Å; N79-N334 PolarHBondContact ND2-ND2 2.85Å; N79-N334 PolarHBondContact OD1-ND2 3.47Å; C225-N334 HydrophobicContact CB-CB 4.29Å; C225-N334 PolarHBondContact N-O 2.81Å; C225-N334 VanDerWaalsContact N-O 3.12Å; C225-N334 WeakPolarHBondContact O-CB 3.36Å; C225-N334 PolarHBondContact O-ND2 3Å; N295-N334 PolarHBondContact ND2-OD1 3.15Å | ||
| 335 | L | 82.6 | Confident | 80.7 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.5 | 178.1 | -177 | 65.8 | 0 | 0 | 0 | 111.4 | Q222 L224 V333 L337 | Q222-L335 HydrophobicContact CB-CD1 4.42Å; L224-L335 HydrophobicContact CD2-CB 4.13Å; L224-L335 HydrophobicContact CD2-CD1 3.79Å; L224-L335 HydrophobicContact CG-CD1 4.14Å; V333-L335 VanDerWaalsContact C-N 3.31Å; V333-L335 PolarHBondContact O-N 2.91Å; L335-L337 HydrophobicContact CD2-CD2 3.5Å; L335-L337 HydrophobicContact CD2-CG 4.21Å; L335-L337 HydrophobicContact CG-CD2 3.86Å; L335-L337 HydrophobicContact CG-CG 4.15Å; L335-L337 PolarHBondContact O-N 3.32Å; L335-L337 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 77.3 | Confident | 80.1 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 82.2 | 171.2 | -79.1 | 179.3 | -155.3 | 0 | 0 | 109.9 | K214 K223 C225 | K214-E336 IonicContact NZ-OE1 3.92Å; K214-E336 PolarHBondContact NZ-OE1 3.19Å; K214-E336 IonicContact NZ-OE2 2.85Å; K214-E336 PolarHBondContact NZ-OE2 3.49Å; K223-E336 HydrophobicContact CB-CB 3.81Å; K223-E336 PolarHBondContact O-N 3.39Å; C225-E336 PolarHBondContact SG-OE1 3.04Å |
| 337 | L | 69.4 | Low | 79.9 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.141 | 39% | 0.387 | C | S | . | . | trans | -59.6 | 141.6 | 178 | -62.5 | 163 | 0 | 0 | 0 | 112.3 | L335 Q341 W342 K345 | L335-L337 HydrophobicContact CD2-CD2 3.5Å; L335-L337 HydrophobicContact CD2-CG 4.21Å; L335-L337 HydrophobicContact CG-CD2 3.86Å; L335-L337 HydrophobicContact CG-CG 4.15Å; L335-L337 PolarHBondContact O-N 3.32Å; L335-L337 VanDerWaalsContact O-N 3.08Å; L337-Q341 HydrophobicContact CB-CB 4.17Å; L337-Q341 HydrophobicContact CD2-CB 4.18Å; L337-W342 HydrophobicContact CB-CD2 4.42Å; L337-W342 HydrophobicContact CB-CG 4.31Å; L337-W342 HydrophobicContact CD1-CD2 4.27Å; L337-W342 HydrophobicContact CD1-CH2 4.28Å; L337-W342 HydrophobicContact CD1-CZ2 4.01Å; L337-W342 PolarHBondContact O-NE1 3.07Å; L337-K345 HydrophobicContact CD1-CD 3.92Å | ||
| 338 | T | 68.3 | Low | 79.4 | Confident | 19 Ų | 19 | 87.7 Ų | 87.7 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | trans | -69.2 | 163.7 | 175.1 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | E221 E340 Q341 W342 | E221-T338 HydrophobicContact CB-CG2 3.62Å; E221-T338 VanDerWaalsContact O-CG2 3.25Å; E221-T338 WeakPolarHBondContact O-CG2 3.41Å; T338-E340 PolarHBondContact O-N 3.29Å; T338-Q341 VanDerWaalsContact N-OE1 3.14Å; T338-Q341 PolarHBondContact O-N 3.46Å; T338-Q341 WeakPolarHBondContact OG1-CG 3.29Å; T338-Q341 PolarHBondContact OG1-N 2.88Å; T338-W342 VanDerWaalsContact O-CD1 3.29Å; T338-W342 PolarHBondContact O-N 3.23Å | ||
| 339 | A | 69.8 | Low | 79.2 | Confident | 85 Ų | 85 | 84.6 Ų | 84.6 | 70% | 0.702 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.3 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | K343 | A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 PolarHBondContact O-N 3.13Å |
| 340 | E | 68.4 | Low | 79.2 | Confident | 153 Ų | 153 | 90.1 Ų | 90.1 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.7 | -39.6 | 176.8 | -56.5 | -152.2 | 151.5 | 0 | 0 | 112.4 | T338 W342 K343 K344 | T338-E340 PolarHBondContact O-N 3.29Å; E340-W342 VanDerWaalsContact C-N 3.33Å; E340-W342 PolarHBondContact O-N 3.3Å; E340-K343 WeakPolarHBondContact O-CB 3.44Å; E340-K343 PolarHBondContact O-N 3.47Å; E340-K344 WeakPolarHBondContact O-CB 3.49Å; E340-K344 PolarHBondContact O-N 2.95Å |
| 341 | Q | 71.5 | Confident | 79.2 | Confident | 51 Ų | 51 | 91.3 Ų | 91.3 | 24% | 0.238 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 174 | -66.9 | 168.1 | 6.5 | 0 | 0 | 111.3 | T220 L337 T338 K344 K345 | T220-Q341 PolarHBondContact O-NE2 2.97Å; L337-Q341 HydrophobicContact CB-CB 4.17Å; L337-Q341 HydrophobicContact CD2-CB 4.18Å; T338-Q341 VanDerWaalsContact N-OE1 3.14Å; T338-Q341 PolarHBondContact O-N 3.46Å; T338-Q341 WeakPolarHBondContact OG1-CG 3.29Å; T338-Q341 PolarHBondContact OG1-N 2.88Å; Q341-K344 PolarHBondContact O-N 2.97Å; Q341-K345 PolarHBondContact O-N 3.36Å |
| 342 | W | 74.4 | Confident | 79.2 | Confident | 139 Ų | 139 | 95.4 Ų | 95.4 | 53% | 0.527 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 170.2 | -85.3 | 114.1 | 0 | 0 | 0 | 112.2 | L337 T338 E340 K344 K345 Y346 | L337-W342 HydrophobicContact CB-CD2 4.42Å; L337-W342 HydrophobicContact CB-CG 4.31Å; L337-W342 HydrophobicContact CD1-CD2 4.27Å; L337-W342 HydrophobicContact CD1-CH2 4.28Å; L337-W342 HydrophobicContact CD1-CZ2 4.01Å; L337-W342 PolarHBondContact O-NE1 3.07Å; T338-W342 VanDerWaalsContact O-CD1 3.29Å; T338-W342 PolarHBondContact O-N 3.23Å; E340-W342 VanDerWaalsContact C-N 3.33Å; E340-W342 PolarHBondContact O-N 3.3Å; W342-K344 VanDerWaalsContact C-N 3.35Å; W342-K344 PolarHBondContact O-N 2.84Å; W342-K345 PolarHBondContact O-N 2.91Å; W342-Y346 WeakPolarHBondContact O-CB 3.39Å; W342-Y346 PolarHBondContact O-N 3.36Å |
| 343 | K | 76.1 | Confident | 79 | Confident | 129 Ų | 129 | 96 Ų | 96 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.2 | -47 | 176 | -178 | -174.1 | 170 | -169.4 | 0 | 111.4 | A339 E340 Y346 E347 | A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 PolarHBondContact O-N 3.13Å; E340-K343 WeakPolarHBondContact O-CB 3.44Å; E340-K343 PolarHBondContact O-N 3.47Å; K343-Y346 WeakPolarHBondContact O-CB 3.39Å; K343-Y346 PolarHBondContact O-N 2.89Å; K343-E347 WeakPolarHBondContact CE-OE1 3.46Å; K343-E347 WeakPolarHBondContact O-CG 3.31Å; K343-E347 PolarHBondContact O-N 2.82Å |
| 344 | K | 75.7 | Confident | 79.2 | Confident | 162 Ų | 162 | 98.1 Ų | 98.1 | 70% | 0.704 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.2 | -37.1 | 179.8 | -166 | 172.1 | -173.8 | 173.3 | 0 | 112.9 | E340 Q341 W342 K348 | E340-K344 WeakPolarHBondContact O-CB 3.49Å; E340-K344 PolarHBondContact O-N 2.95Å; Q341-K344 PolarHBondContact O-N 2.97Å; W342-K344 VanDerWaalsContact C-N 3.35Å; W342-K344 PolarHBondContact O-N 2.84Å; K344-K348 PolarHBondContact O-N 3.38Å; K344-K348 VanDerWaalsContact O-N 3.15Å |
| 345 | K | 73.9 | Confident | 79.4 | Confident | 116 Ų | 116 | 99 Ų | 99 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 169.7 | -82.5 | -166.9 | 179.7 | -177.9 | 0 | 111.6 | L337 Q341 W342 E347 K348 E349 | L337-K345 HydrophobicContact CD1-CD 3.92Å; Q341-K345 PolarHBondContact O-N 3.36Å; W342-K345 PolarHBondContact O-N 2.91Å; K345-E347 PolarHBondContact O-N 3.48Å; K345-K348 PolarHBondContact O-N 2.82Å; K345-E349 PolarHBondContact O-N 3.39Å |
| 346 | Y | 80.5 | Confident | 79.7 | Confident | 154 Ų | 154 | 101.8 Ų | 101.8 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 178.6 | 173.8 | -101.4 | 0 | 0 | 0 | 112.1 | W342 K343 E349 K350 | W342-Y346 WeakPolarHBondContact O-CB 3.39Å; W342-Y346 PolarHBondContact O-N 3.36Å; K343-Y346 WeakPolarHBondContact O-CB 3.39Å; K343-Y346 PolarHBondContact O-N 2.89Å; Y346-E349 PolarHBondContact O-N 3.35Å; Y346-K350 HydrophobicContact CE1-CD 4.25Å; Y346-K350 WeakPolarHBondContact O-CB 3.44Å; Y346-K350 PolarHBondContact O-N 2.88Å |
| 347 | E | 87.1 | Confident | 80.3 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.8 | -74.8 | 168.2 | 175 | 0 | 0 | 111.5 | K343 K345 E349 K350 E351 | K343-E347 WeakPolarHBondContact CE-OE1 3.46Å; K343-E347 WeakPolarHBondContact O-CG 3.31Å; K343-E347 PolarHBondContact O-N 2.82Å; K345-E347 PolarHBondContact O-N 3.48Å; E347-E349 PolarHBondContact O-N 3.1Å; E347-K350 PolarHBondContact O-N 2.81Å; E347-E351 WeakPolarHBondContact O-CB 3.49Å; E347-E351 PolarHBondContact O-N 3.48Å |
| 348 | K | 82.7 | Confident | 81.3 | Confident | 149 Ų | 149 | 107 Ų | 107 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -38.9 | 176.1 | -170.1 | 172.9 | -175.7 | 175.5 | 0 | 113 | K344 K345 E351 K352 | K344-K348 PolarHBondContact O-N 3.38Å; K344-K348 VanDerWaalsContact O-N 3.15Å; K345-K348 PolarHBondContact O-N 2.82Å; K348-E351 WeakPolarHBondContact O-CB 3.31Å; K348-E351 PolarHBondContact O-N 3.13Å; K348-K352 PolarHBondContact O-N 3.37Å; K348-K352 VanDerWaalsContact O-N 3.11Å |
| 349 | E | 83.8 | Confident | 82.3 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 42% | 0.416 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.1 | -30.8 | 179.4 | -145 | 63.9 | -154.6 | 0 | 0 | 112.5 | K345 Y346 E347 E351 K352 N353 | K345-E349 PolarHBondContact O-N 3.39Å; Y346-E349 PolarHBondContact O-N 3.35Å; E347-E349 PolarHBondContact O-N 3.1Å; E349-E351 VanDerWaalsContact C-N 3.32Å; E349-K352 WeakPolarHBondContact OE1-CD 3.5Å; E349-K352 IonicContact OE1-NZ 2.69Å; E349-K352 PolarHBondContact OE1-NZ 2.72Å; E349-K352 WeakPolarHBondContact OE2-CE 3.34Å; E349-K352 IonicContact OE2-NZ 3.73Å; E349-K352 PolarHBondContact OE2-NZ 2.78Å; E349-N353 WeakPolarHBondContact O-CB 3.27Å; E349-N353 PolarHBondContact O-N 3.46Å; E349-N353 PolarHBondContact O-ND2 2.86Å |
| 350 | K | 89.9 | Confident | 83.2 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 168.8 | -177.7 | -174.8 | 178 | -169.3 | 0 | 111.4 | Y346 E347 N353 R354 | Y346-K350 HydrophobicContact CE1-CD 4.25Å; Y346-K350 WeakPolarHBondContact O-CB 3.44Å; Y346-K350 PolarHBondContact O-N 2.88Å; E347-K350 PolarHBondContact O-N 2.81Å; K350-N353 PolarHBondContact O-N 3.33Å; K350-R354 PolarHBondContact O-N 3.34Å; K350-R354 VanDerWaalsContact O-N 3.08Å |
| 351 | E | 87.6 | Confident | 84.3 | Confident | 99 Ų | 99 | 107.4 Ų | 107.4 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -50.4 | 174.4 | -156.9 | 61.2 | -143.3 | 0 | 0 | 111.4 | E347 K348 E349 N353 R354 S355 | E347-E351 WeakPolarHBondContact O-CB 3.49Å; E347-E351 PolarHBondContact O-N 3.48Å; K348-E351 WeakPolarHBondContact O-CB 3.31Å; K348-E351 PolarHBondContact O-N 3.13Å; E349-E351 VanDerWaalsContact C-N 3.32Å; E351-N353 VanDerWaalsContact C-N 3.3Å; E351-N353 PolarHBondContact O-N 2.72Å; E351-R354 WeakPolarHBondContact O-CB 3.36Å; E351-R354 PolarHBondContact O-N 2.82Å; E351-R354 IonicContact OE1-CZ 3.28Å; E351-R354 IonicContact OE1-NH1 3.8Å; E351-R354 PolarHBondContact OE1-NH1 2.97Å; E351-R354 IonicContact OE1-NH2 3.77Å; E351-R354 PolarHBondContact OE1-NH2 2.96Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NH1 3.56Å; E351-R354 PolarHBondContact OE2-NH1 2.94Å; E351-R354 IonicContact OE2-NH2 3.15Å; E351-R354 PolarHBondContact OE2-NH2 3.35Å; E351-S355 PolarHBondContact O-N 2.94Å |
| 352 | K | 86.5 | Confident | 85 | Confident | 97 Ų | 97 | 112.4 Ų | 112.4 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 172.5 | -68.5 | -173.8 | -162 | 153.5 | 0 | 112.3 | K348 E349 R354 S355 M356 | K348-K352 PolarHBondContact O-N 3.37Å; K348-K352 VanDerWaalsContact O-N 3.11Å; E349-K352 WeakPolarHBondContact OE1-CD 3.5Å; E349-K352 IonicContact OE1-NZ 2.69Å; E349-K352 PolarHBondContact OE1-NZ 2.72Å; E349-K352 WeakPolarHBondContact OE2-CE 3.34Å; E349-K352 IonicContact OE2-NZ 3.73Å; E349-K352 PolarHBondContact OE2-NZ 2.78Å; K352-R354 PolarHBondContact O-N 2.73Å; K352-S355 PolarHBondContact O-N 2.7Å; K352-M356 WeakPolarHBondContact O-CB 3.24Å; K352-M356 WeakPolarHBondContact O-CG 3.43Å; K352-M356 PolarHBondContact O-N 3.23Å |
| 353 | N | 83 | Confident | 85.6 | Confident | 86 Ų | 86 | 110.4 Ų | 110.4 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -30.9 | 178.4 | -92 | -90.5 | 0 | 0 | 0 | 112.5 | E349 K350 E351 K357 | E349-N353 WeakPolarHBondContact O-CB 3.27Å; E349-N353 PolarHBondContact O-N 3.46Å; E349-N353 PolarHBondContact O-ND2 2.86Å; K350-N353 PolarHBondContact O-N 3.33Å; E351-N353 VanDerWaalsContact C-N 3.3Å; E351-N353 PolarHBondContact O-N 2.72Å; N353-K357 WeakPolarHBondContact O-CB 3.38Å; N353-K357 VanDerWaalsContact O-CG 3.28Å; N353-K357 WeakPolarHBondContact O-CG 3.38Å; N353-K357 PolarHBondContact O-N 3.48Å; N353-K357 VanDerWaalsContact O-N 3.15Å |
| 354 | R | 91.3 | Very high | 86.2 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 41% | 0.408 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.2 | -51.8 | 172.6 | -154.8 | -167.1 | -55.5 | 123 | 27.5 | 110.7 | K350 E351 K352 M356 K357 E358 | K350-R354 PolarHBondContact O-N 3.34Å; K350-R354 VanDerWaalsContact O-N 3.08Å; E351-R354 WeakPolarHBondContact O-CB 3.36Å; E351-R354 PolarHBondContact O-N 2.82Å; E351-R354 IonicContact OE1-CZ 3.28Å; E351-R354 IonicContact OE1-NH1 3.8Å; E351-R354 PolarHBondContact OE1-NH1 2.97Å; E351-R354 IonicContact OE1-NH2 3.77Å; E351-R354 PolarHBondContact OE1-NH2 2.96Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NH1 3.56Å; E351-R354 PolarHBondContact OE2-NH1 2.94Å; E351-R354 IonicContact OE2-NH2 3.15Å; E351-R354 PolarHBondContact OE2-NH2 3.35Å; K352-R354 PolarHBondContact O-N 2.73Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.23Å; R354-K357 CarbonylContact O-C 3.31Å; R354-K357 WeakPolarHBondContact O-CA 3.26Å; R354-K357 WeakPolarHBondContact O-CB 3.12Å; R354-K357 PolarHBondContact O-N 2.8Å; R354-E358 WeakPolarHBondContact CD-OE1 3.45Å; R354-E358 WeakPolarHBondContact CG-OE1 3.1Å; R354-E358 WeakPolarHBondContact O-CG 3.12Å; R354-E358 PolarHBondContact O-N 3.42Å |
| 355 | S | 88.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 104.1 Ų | 104.1 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -37.6 | 178.1 | -176 | 0 | 0 | 0 | 0 | 113.2 | E351 K352 E358 T359 | E351-S355 PolarHBondContact O-N 2.94Å; K352-S355 PolarHBondContact O-N 2.7Å; S355-E358 WeakPolarHBondContact CA-OE2 3.48Å; S355-T359 WeakPolarHBondContact O-CB 3.38Å; S355-T359 PolarHBondContact O-N 2.94Å; S355-T359 PolarHBondContact O-OG1 3.39Å |
| 356 | M | 87.5 | Confident | 86.9 | Confident | 119 Ų | 119 | 103.3 Ų | 103.3 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 172.2 | -77.5 | 177.6 | 159.6 | 0 | 0 | 111.9 | K352 R354 T359 I360 | K352-M356 WeakPolarHBondContact O-CB 3.24Å; K352-M356 WeakPolarHBondContact O-CG 3.43Å; K352-M356 PolarHBondContact O-N 3.23Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.23Å; M356-T359 PolarHBondContact O-N 2.89Å; M356-I360 VanDerWaalsContact O-CG1 3.31Å; M356-I360 WeakPolarHBondContact O-CG1 3.44Å; M356-I360 PolarHBondContact O-N 3.42Å |
| 357 | K | 90.4 | Very high | 86.9 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 174.5 | -76.2 | 178.4 | 177.2 | -167.5 | 0 | 112.7 | N353 R354 T359 I360 Q361 | N353-K357 WeakPolarHBondContact O-CB 3.38Å; N353-K357 VanDerWaalsContact O-CG 3.28Å; N353-K357 WeakPolarHBondContact O-CG 3.38Å; N353-K357 PolarHBondContact O-N 3.48Å; N353-K357 VanDerWaalsContact O-N 3.15Å; R354-K357 CarbonylContact O-C 3.31Å; R354-K357 WeakPolarHBondContact O-CA 3.26Å; R354-K357 WeakPolarHBondContact O-CB 3.12Å; R354-K357 PolarHBondContact O-N 2.8Å; K357-T359 PolarHBondContact O-N 3.18Å; K357-I360 PolarHBondContact O-N 3Å; K357-Q361 WeakPolarHBondContact O-CB 3.47Å; K357-Q361 WeakPolarHBondContact O-CG 3.49Å; K357-Q361 PolarHBondContact O-N 3.48Å |
| 358 | E | 90.6 | Very high | 86.5 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -24.5 | 173.4 | -68.3 | 159.4 | -173.3 | 0 | 0 | 112.4 | R354 S355 R362 | R354-E358 WeakPolarHBondContact CD-OE1 3.45Å; R354-E358 WeakPolarHBondContact CG-OE1 3.1Å; R354-E358 WeakPolarHBondContact O-CG 3.12Å; R354-E358 PolarHBondContact O-N 3.42Å; S355-E358 WeakPolarHBondContact CA-OE2 3.48Å; E358-R362 WeakPolarHBondContact O-CG 3.33Å; E358-R362 PolarHBondContact O-N 2.95Å; E358-R362 PolarHBondContact O-NE 3.03Å |
| 359 | T | 89.7 | Confident | 86.2 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 34% | 0.337 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -81.8 | -44 | 173.5 | -55.7 | 0 | 0 | 0 | 0 | 111 | S355 M356 K357 R362 L363 | S355-T359 WeakPolarHBondContact O-CB 3.38Å; S355-T359 PolarHBondContact O-N 2.94Å; S355-T359 PolarHBondContact O-OG1 3.39Å; M356-T359 PolarHBondContact O-N 2.89Å; K357-T359 PolarHBondContact O-N 3.18Å; T359-R362 PolarHBondContact O-N 3.16Å; T359-R362 PolarHBondContact OG1-NH2 3.17Å; T359-R362 VanDerWaalsContact OG1-NH2 3.1Å; T359-L363 HydrophobicContact CG2-CD1 4.16Å; T359-L363 WeakPolarHBondContact O-CG 3.46Å; T359-L363 PolarHBondContact O-N 3.31Å |
| 360 | I | 88.9 | Confident | 85.7 | Confident | 85 Ų | 85 | 98.9 Ų | 98.9 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 172.8 | -71.1 | 163.7 | 0 | 0 | 0 | 110.3 | M356 K357 R362 L363 E364 | M356-I360 VanDerWaalsContact O-CG1 3.31Å; M356-I360 WeakPolarHBondContact O-CG1 3.44Å; M356-I360 PolarHBondContact O-N 3.42Å; K357-I360 PolarHBondContact O-N 3Å; I360-R362 VanDerWaalsContact C-N 3.32Å; I360-R362 PolarHBondContact O-N 3.04Å; I360-L363 CarbonylContact O-C 3.51Å; I360-L363 PolarHBondContact O-N 2.96Å; I360-L363 VanDerWaalsContact O-N 3.15Å; I360-E364 VanDerWaalsContact CG2-CD 3.49Å; I360-E364 HydrophobicContact CG2-CG 4.08Å; I360-E364 WeakPolarHBondContact CG2-OE1 3.3Å; I360-E364 WeakPolarHBondContact O-CB 3.19Å; I360-E364 VanDerWaalsContact O-CG 3.29Å; I360-E364 WeakPolarHBondContact O-CG 3.11Å; I360-E364 PolarHBondContact O-N 3.44Å |
| 361 | Q | 90.3 | Very high | 85.2 | Confident | 126 Ų | 126 | 101.9 Ų | 101.9 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -34.7 | 179 | -76.1 | -179.8 | -31.9 | 0 | 0 | 113.5 | K357 A365 | K357-Q361 WeakPolarHBondContact O-CB 3.47Å; K357-Q361 WeakPolarHBondContact O-CG 3.49Å; K357-Q361 PolarHBondContact O-N 3.48Å; Q361-A365 VanDerWaalsContact O-CB 3.3Å; Q361-A365 WeakPolarHBondContact O-CB 3.4Å; Q361-A365 PolarHBondContact O-N 3.16Å |
| 362 | R | 87.9 | Confident | 84.6 | Confident | 157 Ų | 157 | 103 Ų | 103 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | 172.9 | -83.6 | 177.7 | -70.3 | 147 | 0.6 | 111.6 | E358 T359 I360 E364 A365 E366 | E358-R362 WeakPolarHBondContact O-CG 3.33Å; E358-R362 PolarHBondContact O-N 2.95Å; E358-R362 PolarHBondContact O-NE 3.03Å; T359-R362 PolarHBondContact O-N 3.16Å; T359-R362 PolarHBondContact OG1-NH2 3.17Å; T359-R362 VanDerWaalsContact OG1-NH2 3.1Å; I360-R362 VanDerWaalsContact C-N 3.32Å; I360-R362 PolarHBondContact O-N 3.04Å; R362-E364 VanDerWaalsContact C-N 3.33Å; R362-E364 PolarHBondContact O-N 3.08Å; R362-A365 PolarHBondContact O-N 3Å; R362-E366 WeakPolarHBondContact O-CB 3.48Å; R362-E366 PolarHBondContact O-N 3.23Å |
| 363 | L | 86.5 | Confident | 83.4 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 176 | -68.5 | 169 | 0 | 0 | 0 | 111.8 | T359 I360 L367 | T359-L363 HydrophobicContact CG2-CD1 4.16Å; T359-L363 WeakPolarHBondContact O-CG 3.46Å; T359-L363 PolarHBondContact O-N 3.31Å; I360-L363 CarbonylContact O-C 3.51Å; I360-L363 PolarHBondContact O-N 2.96Å; I360-L363 VanDerWaalsContact O-N 3.15Å; L363-L367 VanDerWaalsContact O-CB 3.28Å; L363-L367 WeakPolarHBondContact O-CB 3.5Å; L363-L367 PolarHBondContact O-N 3.14Å |
| 364 | E | 87.5 | Confident | 82.2 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 174.8 | -74.3 | 171.7 | 158.3 | 0 | 0 | 112 | I360 R362 N368 | I360-E364 VanDerWaalsContact CG2-CD 3.49Å; I360-E364 HydrophobicContact CG2-CG 4.08Å; I360-E364 WeakPolarHBondContact CG2-OE1 3.3Å; I360-E364 WeakPolarHBondContact O-CB 3.19Å; I360-E364 VanDerWaalsContact O-CG 3.29Å; I360-E364 WeakPolarHBondContact O-CG 3.11Å; I360-E364 PolarHBondContact O-N 3.44Å; R362-E364 VanDerWaalsContact C-N 3.33Å; R362-E364 PolarHBondContact O-N 3.08Å; E364-N368 WeakPolarHBondContact O-CB 3.4Å; E364-N368 PolarHBondContact O-N 2.73Å; E364-N368 PolarHBondContact O-ND2 3.46Å |
| 365 | A | 83.7 | Confident | 80.5 | Confident | 54 Ų | 54 | 103.8 Ų | 103.8 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q361 R362 N368 C369 | Q361-A365 VanDerWaalsContact O-CB 3.3Å; Q361-A365 WeakPolarHBondContact O-CB 3.4Å; Q361-A365 PolarHBondContact O-N 3.16Å; R362-A365 PolarHBondContact O-N 3Å; A365-N368 PolarHBondContact O-N 3.4Å; A365-C369 PolarHBondContact O-N 3.15Å |
| 366 | E | 81.6 | Confident | 78.8 | Confident | 99 Ų | 99 | 108.1 Ų | 108.1 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.3 | -54.5 | 172.9 | -177.2 | 174.5 | -168.1 | 0 | 0 | 110.8 | R362 N368 C369 W370 | R362-E366 WeakPolarHBondContact O-CB 3.48Å; R362-E366 PolarHBondContact O-N 3.23Å; E366-N368 PolarHBondContact O-N 3.38Å; E366-N368 VanDerWaalsContact O-N 3.11Å; E366-C369 PolarHBondContact O-N 2.85Å; E366-W370 PolarHBondContact O-N 3.18Å |
| 367 | L | 79.3 | Confident | 77 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -28.6 | 179.3 | -137.4 | 166.1 | 0 | 0 | 0 | 112.4 | L363 R371 | L363-L367 VanDerWaalsContact O-CB 3.28Å; L363-L367 WeakPolarHBondContact O-CB 3.5Å; L363-L367 PolarHBondContact O-N 3.14Å; L367-R371 HydrophobicContact CD2-CG 4.16Å; L367-R371 WeakPolarHBondContact O-CB 3.22Å; L367-R371 WeakPolarHBondContact O-CD 3.5Å; L367-R371 WeakPolarHBondContact O-CG 3.31Å; L367-R371 PolarHBondContact O-N 3.5Å |
| 368 | N | 80.3 | Confident | 74.7 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 43% | 0.433 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -75 | -42.1 | 172.9 | -73 | -23.4 | 0 | 0 | 0 | 113.1 | E364 A365 E366 W370 R371 N372 | E364-N368 WeakPolarHBondContact O-CB 3.4Å; E364-N368 PolarHBondContact O-N 2.73Å; E364-N368 PolarHBondContact O-ND2 3.46Å; A365-N368 PolarHBondContact O-N 3.4Å; E366-N368 PolarHBondContact O-N 3.38Å; E366-N368 VanDerWaalsContact O-N 3.11Å; N368-W370 VanDerWaalsContact C-N 3.34Å; N368-W370 PolarHBondContact O-N 2.78Å; N368-R371 PolarHBondContact O-N 3.25Å; N368-N372 WeakPolarHBondContact O-CB 3.41Å; N368-N372 PolarHBondContact O-N 3.5Å; N368-N372 PolarHBondContact O-ND2 2.74Å; N368-N372 PolarHBondContact O-OD1 2.97Å |
| 369 | C | 75.8 | Confident | 72.6 | Confident | 44 Ų | 44 | 112.1 Ų | 112.1 | 30% | 0.297 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.8 | -45.1 | 171.7 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | A365 E366 R371 N372 G373 E374 | A365-C369 PolarHBondContact O-N 3.15Å; E366-C369 PolarHBondContact O-N 2.85Å; C369-R371 VanDerWaalsContact C-N 3.31Å; C369-R371 PolarHBondContact O-N 2.91Å; C369-N372 PolarHBondContact O-N 3.38Å; C369-N372 VanDerWaalsContact O-N 3.17Å; C369-G373 PolarHBondContact O-N 3.27Å; C369-E374 HydrophobicContact CB-CB 4.41Å; C369-E374 PolarHBondContact O-N 3.11Å; C369-E374 PolarHBondContact SG-OE2 2.75Å |
| 370 | W | 72.6 | Confident | 70.4 | Confident | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.67 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -35.9 | 175.1 | -76 | 68.7 | 0 | 0 | 0 | 112.3 | E366 N368 | E366-W370 PolarHBondContact O-N 3.18Å; N368-W370 VanDerWaalsContact C-N 3.34Å; N368-W370 PolarHBondContact O-N 2.78Å |
| 371 | R | 79 | Confident | 68 | Low | 180 Ų | 180 | 117 Ų | 117 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.9 | -31 | 173.9 | -80.3 | 169 | 172.1 | 170.4 | -0.7 | 113.8 | L367 N368 C369 G373 | L367-R371 HydrophobicContact CD2-CG 4.16Å; L367-R371 WeakPolarHBondContact O-CB 3.22Å; L367-R371 WeakPolarHBondContact O-CD 3.5Å; L367-R371 WeakPolarHBondContact O-CG 3.31Å; L367-R371 PolarHBondContact O-N 3.5Å; N368-R371 PolarHBondContact O-N 3.25Å; C369-R371 VanDerWaalsContact C-N 3.31Å; C369-R371 PolarHBondContact O-N 2.91Å; R371-G373 PolarHBondContact O-N 2.8Å |
| 372 | N | 76.9 | Confident | 65.7 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 66% | 0.658 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -2.5 | 178.6 | -66.4 | -12.2 | 0 | 0 | 0 | 112.9 | N368 C369 | N368-N372 WeakPolarHBondContact O-CB 3.41Å; N368-N372 PolarHBondContact O-N 3.5Å; N368-N372 PolarHBondContact O-ND2 2.74Å; N368-N372 PolarHBondContact O-OD1 2.97Å; C369-N372 PolarHBondContact O-N 3.38Å; C369-N372 VanDerWaalsContact O-N 3.17Å |
| 373 | G | 61.5 | Low | 63 | Low | 45 Ų | 45 | 116.1 Ų | 116.1 | 46% | 0.464 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86 | 7.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C369 R371 N375 | C369-G373 PolarHBondContact O-N 3.27Å; R371-G373 PolarHBondContact O-N 2.8Å; G373-N375 VanDerWaalsContact C-N 3.3Å; G373-N375 PolarHBondContact O-N 3.46Å; G373-N375 PolarHBondContact O-ND2 2.6Å |
| 374 | E | 57.5 | Low | 60.7 | Low | 114 Ų | 114 | 121.2 Ų | 121.2 | 53% | 0.533 | 65% | 0.654 | S | S | . | * | trans | -74 | 77.8 | 179.3 | -64 | -177.6 | 132.1 | 0 | 0 | 111.1 | C369 D376 | C369-E374 HydrophobicContact CB-CB 4.41Å; C369-E374 PolarHBondContact O-N 3.11Å; C369-E374 PolarHBondContact SG-OE2 2.75Å; E374-D376 PolarHBondContact O-N 2.93Å; E374-D376 VanDerWaalsContact O-N 3.09Å | ||
| 375 | N | 54.1 | Low | 58.1 | Low | 148 Ų | 148 | 119.6 Ų | 119.6 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -74.7 | 12.3 | -174 | -83.4 | -80.6 | 0 | 0 | 0 | 115.4 | G373 | G373-N375 VanDerWaalsContact C-N 3.3Å; G373-N375 PolarHBondContact O-N 3.46Å; G373-N375 PolarHBondContact O-ND2 2.6Å | ||
| 376 | D | 53.6 | Low | 55.6 | Low | 151 Ų | 151 | 122.2 Ų | 122.2 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | trans | -126.9 | 52.2 | -168 | -141 | -6.8 | 0 | 0 | 0 | 113.5 | E374 | E374-D376 PolarHBondContact O-N 2.93Å; E374-D376 VanDerWaalsContact O-N 3.09Å | ||
| 377 | V | 48.6 | Very low | 53.6 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -115.5 | 98.3 | 162.6 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | L379 | V377-L379 PolarHBondContact O-N 3.44Š|
| 378 | V | 43.9 | Very low | 51.6 | Low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -28.3 | 110.5 | -178.4 | -178.6 | 0 | 0 | 0 | 0 | 115.5 | G380 | V378-G380 VanDerWaalsContact C-N 3.27Å; V378-G380 PolarHBondContact O-N 2.82Å | ||
| 379 | L | 45.5 | Very low | 49.3 | Very low | 179 Ų | 179 | 130 Ų | 130 | 94% | 0.937 | 73% | 0.733 | S | S | * | * | trans | -71.3 | 78.5 | 164.5 | -173.3 | 81.7 | 0 | 0 | 0 | 110.2 | V377 | V377-L379 PolarHBondContact O-N 3.44Š| ||
| 380 | G | 43.4 | Very low | 47.2 | Very low | 46 Ų | 46 | 138 Ų | 138 | 47% | 0.474 | 76% | 0.757 | S | S | . | * | trans | -164.5 | 76.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117 | V378 | V378-G380 VanDerWaalsContact C-N 3.27Å; V378-G380 PolarHBondContact O-N 2.82Å | ||
| 381 | Q | 39.1 | Very low | 45.2 | Very low | 197 Ų | 197 | 139.8 Ų | 139.8 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -179.8 | 92.3 | 130.4 | -97.8 | 161.1 | 32.7 | 0 | 0 | 111.7 | ||||
| 382 | L | 40.6 | Very low | 42.9 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 100% | 1 | 77% | 0.774 | S | S | * | * | trans | -101.2 | 106.2 | 148.8 | -82.2 | 169.6 | 0 | 0 | 0 | 106.8 | ||||
| 383 | G | 32.8 | Very low | 41.1 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -159 | 139.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 384 | E | 38.5 | Very low | 39.6 | Very low | 205 Ų | 205 | 142.8 Ų | 142.8 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -82.4 | 148.8 | -174.1 | -55.4 | 168.8 | 117.8 | 0 | 0 | 111.6 | ||||
| 385 | G | 31.4 | Very low | 38.4 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 160.7 | 113.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 386 | S | 32.3 | Very low | 37.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 25.9 | 118 | 143.5 | 58.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 387 | E | 39.9 | Very low | 36.3 | Very low | 195 Ų | 195 | 146.4 Ų | 146.4 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | 42.1 | 147.6 | 122 | -58.9 | -170.2 | 132.9 | 0 | 0 | 123.8 | |||||
| 388 | D | 36.5 | Very low | 35.6 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | 70.3 | 87.3 | 154.8 | -133.1 | 13.8 | 0 | 0 | 0 | 119.6 | ||||
| 389 | A | 31.8 | Very low | 35.5 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -141.7 | 134.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 390 | R | 32 | Very low | 34.7 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -97 | 134.9 | -172.5 | -61.2 | 176.6 | -172.1 | 172.1 | 2.8 | 112 | ||||
| 391 | F | 29.6 | Very low | 34.4 | Very low | 213 Ų | 213 | 151.1 Ų | 151.1 | 93% | 0.934 | 82% | 0.819 | S | S | * | * | trans | -76.9 | 125.2 | 166 | -103.5 | -96.5 | 0 | 0 | 0 | 111.2 | ||||
| 392 | V | 31.5 | Very low | 34 | Very low | 127 Ų | 127 | 150 Ų | 150 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -137.9 | 132.6 | 157.8 | 179.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 393 | P | 38.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 148 Ų | 148 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -81.3 | 161.1 | -160.6 | 32.1 | -37 | 0 | 0 | 0 | 114.4 | ||||
| 394 | L | 30.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -110.1 | 129 | 161.5 | -84.9 | 163.8 | 0 | 0 | 0 | 108.6 | ||||
| 395 | D | 31.2 | Very low | 33 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -88.2 | 162.9 | 165.4 | -79.8 | -55.8 | 0 | 0 | 0 | 111 | ||||
| 396 | F | 33.4 | Very low | 34 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -20.6 | 147.5 | 159.9 | -63.2 | -102.3 | 0 | 0 | 0 | 115.7 | ||||
| 397 | E | 31.4 | Very low | 33.9 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | cis | -163 | -177 | 38 | -145.1 | 156 | -130.8 | 0 | 0 | 113.3 | ||||
| 398 | E | 33.3 | Very low | 33.5 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | trans | -14.6 | 156.2 | 166.7 | -90.5 | -172.6 | -176.9 | 0 | 0 | 121.8 | ||||
| 399 | P | 41.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | -152.9 | -161.1 | 59.8 | 44.3 | -21.9 | 0 | 0 | 0 | 118.6 | |||||
| 400 | T | 28.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 174.2 | -156.3 | 54.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 401 | L | 38.3 | Very low | 33.9 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -38.1 | 148.9 | 166.7 | -53.8 | 164.6 | 0 | 0 | 0 | 114.7 | ||||
| 402 | E | 31.4 | Very low | 35 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | -174.5 | 145.1 | 80.7 | -99.2 | -168.3 | -179.3 | 0 | 0 | 116.3 | |||||
| 403 | L | 31.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 61.2 | 146.1 | 133.4 | -142.2 | 70.4 | 0 | 0 | 0 | 125.7 | ||||
| 404 | C | 28.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | 99.6 | 97.8 | 141.9 | -102.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 405 | S | 29 | Very low | 35.7 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 73.9 | 175 | 114.2 | -124.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 406 | P | 53.7 | Low | 35.6 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | -139.7 | -175.2 | -101.2 | 44.4 | -25.1 | 0 | 0 | 0 | 119.2 | |||||
| 407 | C | 29.7 | Very low | 35.6 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | 94.4 | 134.4 | 149 | -69.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 408 | T | 30.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | 68.7 | 168.2 | 142.8 | 47.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 409 | P | 50.3 | Low | 35.5 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | cis | -136.9 | -176.4 | -22.8 | 26.8 | -3.2 | 0 | 0 | 0 | 115.4 | ||||
| 410 | C | 27.6 | Very low | 35 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | 146 | 160.3 | 130 | -79.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 411 | T | 32.8 | Very low | 35.1 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -127.5 | -163.9 | -170.3 | 0.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 412 | P | 52.1 | Low | 35 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -133.5 | -174.2 | -24.6 | 39 | -21.4 | 0 | 0 | 0 | 114.3 | ||||
| 413 | C | 29.3 | Very low | 35.4 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 91% | 0.905 | 77% | 0.773 | S | S | * | * | trans | -171.7 | 165 | 143.4 | -103.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 414 | S | 31.6 | Very low | 36.1 | Very low | 111 Ų | 111 | 118.4 Ų | 118.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -174.8 | 174.1 | -178.8 | -155.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 415 | P | 54.8 | Low | 36.8 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -125 | -173.2 | -23.7 | 41.1 | -26.4 | 0 | 0 | 0 | 113.1 | ||||
| 416 | C | 27.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 121 Ų | 121 | 90% | 0.899 | 76% | 0.758 | S | S | * | * | trans | -152.7 | 154.4 | 151.9 | -99.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 417 | S | 33.6 | Very low | 37.9 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -141.2 | 167.2 | -170.7 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 418 | L | 32.1 | Very low | 39.4 | Very low | 177 Ų | 177 | 121.3 Ų | 121.3 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | trans | 115.2 | 141.2 | 168.9 | -65.1 | 162.6 | 0 | 0 | 0 | 112.7 | ||||
| 419 | A | 31.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -169.9 | 175.1 | -18.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 420 | S | 31.8 | Very low | 41.4 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | 72.3 | 140.8 | 159.3 | -69.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 421 | S | 30.4 | Very low | 43.2 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | cis | -162.8 | -171.6 | -10.2 | -163.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 422 | I | 35.3 | Very low | 45.1 | Very low | 143 Ų | 143 | 120 Ų | 120 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 78.8 | 89.7 | 170.4 | -54 | 172 | 0 | 0 | 0 | 113.9 | V424 | I422-V424 HydrophobicContact CG2-CG2 4.11Š| ||
| 423 | V | 40.5 | Very low | 46.2 | Very low | 125 Ų | 125 | 121 Ų | 121 | 76% | 0.758 | 68% | 0.684 | S | S | * | * | trans | -79.6 | 118.1 | 160.2 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 424 | V | 46 | Very low | 48.2 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 65% | 0.648 | 67% | 0.665 | S | S | * | * | trans | -95.8 | 125.6 | 162.9 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | I422 I426 | I422-V424 HydrophobicContact CG2-CG2 4.11Å; V424-I426 PolarHBondContact O-N 3.45Å | ||
| 425 | H | 42.1 | Very low | 50.4 | Low | 180 Ų | 180 | 118.8 Ų | 118.8 | 83% | 0.833 | 64% | 0.644 | S | S | * | * | trans | -74.4 | 89.5 | 176.2 | -81.1 | -89.6 | 0 | 0 | 0 | 110.7 | ||||
| 426 | I | 50.5 | Low | 51.4 | Low | 88 Ų | 88 | 117.2 Ų | 117.2 | 45% | 0.451 | 63% | 0.627 | S | S | . | * | trans | -77.9 | 142.3 | 161.8 | -59.9 | 174.2 | 0 | 0 | 0 | 107.7 | V424 E430 R431 Y434 | V424-I426 PolarHBondContact O-N 3.45Å; I426-E430 HydrophobicContact CG2-CB 3.43Å; I426-E430 VanDerWaalsContact CG2-CB 3.43Å; I426-R431 HydrophobicContact CG2-CB 4.36Å; I426-Y434 HydrophobicContact CG2-CD2 4.38Å; I426-Y434 HydrophobicContact CG2-CE2 4.33Å | ||
| 427 | S | 56.8 | Low | 53.8 | Low | 46 Ų | 46 | 116.1 Ų | 116.1 | 32% | 0.322 | 61% | 0.609 | S | S | . | * | trans | -65.5 | 158.6 | 178.4 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | E429 E430 R431 | S427-E429 VanDerWaalsContact C-N 3.28Å; S427-E429 PolarHBondContact O-N 3.06Å; S427-E430 WeakPolarHBondContact CB-OE2 3.5Å; S427-E430 PolarHBondContact N-OE2 3.37Å; S427-E430 VanDerWaalsContact N-OE2 3.15Å; S427-E430 PolarHBondContact O-N 2.86Å; S427-E430 WeakPolarHBondContact OG-CB 3.35Å; S427-E430 WeakPolarHBondContact OG-CG 3.27Å; S427-E430 PolarHBondContact OG-N 2.68Å; S427-E430 PolarHBondContact OG-OE2 2.67Å; S427-R431 VanDerWaalsContact O-CB 3.29Å; S427-R431 WeakPolarHBondContact O-CB 3.1Å; S427-R431 PolarHBondContact O-N 2.92Å | ||
| 428 | E | 59.6 | Low | 55.9 | Low | 174 Ų | 174 | 115.4 Ų | 115.4 | 81% | 0.813 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -33.9 | 179.7 | -67.8 | -167.2 | 137.3 | 0 | 0 | 111.7 | H432 | E428-H432 WeakPolarHBondContact O-CB 3.25Å; E428-H432 PolarHBondContact O-N 3.48Å |
| 429 | E | 63.2 | Low | 58.1 | Low | 131 Ų | 131 | 113.6 Ų | 113.6 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.4 | -36 | 175.3 | -59.6 | 92.5 | 153 | 0 | 0 | 113.3 | S427 K433 | S427-E429 VanDerWaalsContact C-N 3.28Å; S427-E429 PolarHBondContact O-N 3.06Å; E429-K433 WeakPolarHBondContact O-CD 3.12Å; E429-K433 VanDerWaalsContact O-CG 3.22Å; E429-K433 WeakPolarHBondContact O-CG 3.21Å; E429-K433 PolarHBondContact O-N 3.23Å |
| 430 | E | 60.3 | Low | 60.6 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 42% | 0.421 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.9 | -42.7 | 173.1 | -72.6 | 164.9 | 141.8 | 0 | 0 | 111.1 | I426 S427 H432 K433 Y434 | I426-E430 HydrophobicContact CG2-CB 3.43Å; I426-E430 VanDerWaalsContact CG2-CB 3.43Å; S427-E430 WeakPolarHBondContact CB-OE2 3.5Å; S427-E430 PolarHBondContact N-OE2 3.37Å; S427-E430 VanDerWaalsContact N-OE2 3.15Å; S427-E430 PolarHBondContact O-N 2.86Å; S427-E430 WeakPolarHBondContact OG-CB 3.35Å; S427-E430 WeakPolarHBondContact OG-CG 3.27Å; S427-E430 PolarHBondContact OG-N 2.68Å; S427-E430 PolarHBondContact OG-OE2 2.67Å; E430-H432 PolarHBondContact O-N 3.42Å; E430-K433 WeakPolarHBondContact O-CB 3.44Å; E430-K433 PolarHBondContact O-N 2.73Å; E430-Y434 HydrophobicContact CB-CE2 4.36Å; E430-Y434 WeakPolarHBondContact O-CD2 3.46Å; E430-Y434 PolarHBondContact O-N 3.04Å |
| 431 | R | 65.8 | Low | 62.9 | Low | 151 Ų | 151 | 114.4 Ų | 114.4 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -44 | 175.9 | -177.9 | 178.7 | 168.2 | -174.2 | -7.4 | 111.5 | I426 S427 K433 Y434 E435 | I426-R431 HydrophobicContact CG2-CB 4.36Å; S427-R431 VanDerWaalsContact O-CB 3.29Å; S427-R431 WeakPolarHBondContact O-CB 3.1Å; S427-R431 PolarHBondContact O-N 2.92Å; R431-K433 VanDerWaalsContact C-N 3.32Å; R431-K433 PolarHBondContact O-N 3.01Å; R431-Y434 PolarHBondContact O-N 3.45Å; R431-E435 HydrophobicContact CG-CG 4.44Å; R431-E435 IonicContact CZ-OE1 3.2Å; R431-E435 IonicContact NE-OE1 2.73Å; R431-E435 PolarHBondContact NE-OE1 3.11Å; R431-E435 IonicContact NH2-OE1 2.78Å; R431-E435 PolarHBondContact NH2-OE1 3.29Å; R431-E435 WeakPolarHBondContact O-CB 2.85Å; R431-E435 WeakPolarHBondContact O-CG 3.24Å; R431-E435 PolarHBondContact O-N 2.99Å |
| 432 | H | 72.4 | Confident | 65.2 | Low | 103 Ų | 103 | 116.3 Ų | 116.3 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 176.6 | -169.1 | -77.8 | 0 | 0 | 0 | 112 | E428 E430 E436 | E428-H432 WeakPolarHBondContact O-CB 3.25Å; E428-H432 PolarHBondContact O-N 3.48Å; E430-H432 PolarHBondContact O-N 3.42Å; H432-E436 IonicContact CE1-OE1 3.55Å; H432-E436 WeakPolarHBondContact O-CB 3.39Å; H432-E436 PolarHBondContact O-N 2.87Å |
| 433 | K | 75.1 | Confident | 67.6 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -48.2 | 172.3 | -72.9 | 163.1 | -169.8 | 164.4 | 0 | 111.5 | E429 E430 R431 E435 E436 E437 | E429-K433 WeakPolarHBondContact O-CD 3.12Å; E429-K433 VanDerWaalsContact O-CG 3.22Å; E429-K433 WeakPolarHBondContact O-CG 3.21Å; E429-K433 PolarHBondContact O-N 3.23Å; E430-K433 WeakPolarHBondContact O-CB 3.44Å; E430-K433 PolarHBondContact O-N 2.73Å; R431-K433 VanDerWaalsContact C-N 3.32Å; R431-K433 PolarHBondContact O-N 3.01Å; K433-E435 PolarHBondContact O-N 3.12Å; K433-E436 PolarHBondContact O-N 3.3Å; K433-E437 VanDerWaalsContact O-CB 3.3Å; K433-E437 WeakPolarHBondContact O-CB 3.42Å; K433-E437 PolarHBondContact O-N 3.04Å |
| 434 | Y | 72.2 | Confident | 69.8 | Low | 128 Ų | 128 | 115 Ų | 115 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177 | -68.5 | -52.5 | 0 | 0 | 0 | 112.2 | I426 E430 R431 E437 I438 | I426-Y434 HydrophobicContact CG2-CD2 4.38Å; I426-Y434 HydrophobicContact CG2-CE2 4.33Å; E430-Y434 HydrophobicContact CB-CE2 4.36Å; E430-Y434 WeakPolarHBondContact O-CD2 3.46Å; E430-Y434 PolarHBondContact O-N 3.04Å; R431-Y434 PolarHBondContact O-N 3.45Å; Y434-E437 PolarHBondContact O-N 2.88Å; Y434-I438 VanDerWaalsContact O-CB 3.23Å; Y434-I438 WeakPolarHBondContact O-CB 3.45Å; Y434-I438 WeakPolarHBondContact O-CD1 3.4Å; Y434-I438 WeakPolarHBondContact O-CG1 3.2Å; Y434-I438 PolarHBondContact O-N 3.4Å |
| 435 | E | 76.4 | Confident | 71.5 | Confident | 71 Ų | 71 | 114.2 Ų | 114.2 | 33% | 0.332 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 175.1 | -74.1 | -176 | -168.6 | 0 | 0 | 112.6 | R431 K433 R439 | R431-E435 HydrophobicContact CG-CG 4.44Å; R431-E435 IonicContact CZ-OE1 3.2Å; R431-E435 IonicContact NE-OE1 2.73Å; R431-E435 PolarHBondContact NE-OE1 3.11Å; R431-E435 IonicContact NH2-OE1 2.78Å; R431-E435 PolarHBondContact NH2-OE1 3.29Å; R431-E435 WeakPolarHBondContact O-CB 2.85Å; R431-E435 WeakPolarHBondContact O-CG 3.24Å; R431-E435 PolarHBondContact O-N 2.99Å; K433-E435 PolarHBondContact O-N 3.12Å; E435-R439 WeakPolarHBondContact O-CB 3.42Å; E435-R439 PolarHBondContact O-N 3.31Å |
| 436 | E | 77 | Confident | 73.4 | Confident | 73 Ų | 73 | 110.2 Ų | 110.2 | 34% | 0.341 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 168.9 | -83.7 | -159.4 | 169.6 | 0 | 0 | 113.5 | H432 K433 R439 K440 | H432-E436 IonicContact CE1-OE1 3.55Å; H432-E436 WeakPolarHBondContact O-CB 3.39Å; H432-E436 PolarHBondContact O-N 2.87Å; K433-E436 PolarHBondContact O-N 3.3Å; E436-R439 PolarHBondContact O-N 3.13Å; E436-K440 WeakPolarHBondContact O-CB 3.16Å; E436-K440 WeakPolarHBondContact O-CD 3.28Å; E436-K440 VanDerWaalsContact O-CG 3.23Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.06Å; E436-K440 IonicContact OE2-NZ 2.84Å; E436-K440 PolarHBondContact OE2-NZ 3.32Å |
| 437 | E | 78.4 | Confident | 75.1 | Confident | 111 Ų | 111 | 110.2 Ų | 110.2 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -42.1 | -178.1 | -169.5 | 155.5 | -130.6 | 0 | 0 | 110.7 | K433 Y434 R439 K440 L441 | K433-E437 VanDerWaalsContact O-CB 3.3Å; K433-E437 WeakPolarHBondContact O-CB 3.42Å; K433-E437 PolarHBondContact O-N 3.04Å; Y434-E437 PolarHBondContact O-N 2.88Å; E437-R439 VanDerWaalsContact C-N 3.32Å; E437-R439 PolarHBondContact O-N 2.91Å; E437-K440 PolarHBondContact O-N 3.36Å; E437-L441 HydrophobicContact CG-CD1 4.47Å; E437-L441 WeakPolarHBondContact O-CB 3.26Å; E437-L441 VanDerWaalsContact O-CG 3.3Å; E437-L441 WeakPolarHBondContact O-CG 3.27Å; E437-L441 PolarHBondContact O-N 3.16Å |
| 438 | I | 76.4 | Confident | 76.5 | Confident | 89 Ų | 89 | 114.1 Ų | 114.1 | 46% | 0.456 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 167.6 | -71.4 | 166.3 | 0 | 0 | 0 | 110.8 | Y434 K440 L441 Y442 | Y434-I438 VanDerWaalsContact O-CB 3.23Å; Y434-I438 WeakPolarHBondContact O-CB 3.45Å; Y434-I438 WeakPolarHBondContact O-CD1 3.4Å; Y434-I438 WeakPolarHBondContact O-CG1 3.2Å; Y434-I438 PolarHBondContact O-N 3.4Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.42Å; I438-L441 PolarHBondContact O-N 3.11Å; I438-Y442 HydrophobicContact CG2-CD2 3.56Å; I438-Y442 HydrophobicContact CG2-CE2 3.42Å; I438-Y442 VanDerWaalsContact CG2-CE2 3.42Å; I438-Y442 VanDerWaalsContact O-CD2 3.28Å; I438-Y442 WeakPolarHBondContact O-CD2 3.29Å; I438-Y442 PolarHBondContact O-N 2.88Å |
| 439 | R | 79.1 | Confident | 77.7 | Confident | 139 Ų | 139 | 109.4 Ų | 109.4 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -31.5 | 177.8 | -164.3 | -178.4 | -55.2 | 122.8 | 6.6 | 112.9 | E435 E436 E437 K443 | E435-R439 WeakPolarHBondContact O-CB 3.42Å; E435-R439 PolarHBondContact O-N 3.31Å; E436-R439 PolarHBondContact O-N 3.13Å; E437-R439 VanDerWaalsContact C-N 3.32Å; E437-R439 PolarHBondContact O-N 2.91Å; R439-K443 PolarHBondContact O-N 3.19Å; R439-K443 VanDerWaalsContact O-N 3.14Å |
| 440 | K | 82.5 | Confident | 78.9 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | 170.9 | -71.9 | 158.3 | -168 | 155.7 | 0 | 111.4 | E436 E437 I438 K443 Q444 | E436-K440 WeakPolarHBondContact O-CB 3.16Å; E436-K440 WeakPolarHBondContact O-CD 3.28Å; E436-K440 VanDerWaalsContact O-CG 3.23Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.06Å; E436-K440 IonicContact OE2-NZ 2.84Å; E436-K440 PolarHBondContact OE2-NZ 3.32Å; E437-K440 PolarHBondContact O-N 3.36Å; I438-K440 VanDerWaalsContact C-N 3.35Å; I438-K440 PolarHBondContact O-N 3.42Å; K440-K443 PolarHBondContact O-N 2.71Å; K440-Q444 WeakPolarHBondContact O-CB 3.2Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 3.01Å |
| 441 | L | 81.3 | Confident | 80.2 | Confident | 102 Ų | 102 | 109 Ų | 109 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 177.4 | -73.4 | 167.9 | 0 | 0 | 0 | 112.4 | E437 I438 Q444 L445 | E437-L441 HydrophobicContact CG-CD1 4.47Å; E437-L441 WeakPolarHBondContact O-CB 3.26Å; E437-L441 VanDerWaalsContact O-CG 3.3Å; E437-L441 WeakPolarHBondContact O-CG 3.27Å; E437-L441 PolarHBondContact O-N 3.16Å; I438-L441 PolarHBondContact O-N 3.11Å; L441-Q444 CarbonylContact O-C 3.57Å; L441-Q444 PolarHBondContact O-N 3.46Å; L441-L445 PolarHBondContact O-N 3.31Å |
| 442 | Y | 79.4 | Confident | 81.3 | Confident | 148 Ų | 148 | 106 Ų | 106 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 171.1 | -82.6 | -60.9 | 0 | 0 | 0 | 111.2 | I438 Q444 L445 D446 | I438-Y442 HydrophobicContact CG2-CD2 3.56Å; I438-Y442 HydrophobicContact CG2-CE2 3.42Å; I438-Y442 VanDerWaalsContact CG2-CE2 3.42Å; I438-Y442 VanDerWaalsContact O-CD2 3.28Å; I438-Y442 WeakPolarHBondContact O-CD2 3.29Å; I438-Y442 PolarHBondContact O-N 2.88Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.87Å; Y442-L445 CarbonylContact O-C 3.54Å; Y442-L445 WeakPolarHBondContact O-CA 3.5Å; Y442-L445 VanDerWaalsContact O-CB 3.31Å; Y442-L445 WeakPolarHBondContact O-CB 3.27Å; Y442-L445 PolarHBondContact O-N 2.93Å; Y442-D446 VanDerWaalsContact O-CG 3.28Å; Y442-D446 PolarHBondContact O-N 3.48Å |
| 443 | K | 84.8 | Confident | 81.9 | Confident | 121 Ų | 121 | 105.2 Ų | 105.2 | 53% | 0.526 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.2 | 179.2 | 169.9 | 179.3 | -179 | 0 | 112.2 | R439 K440 L445 D446 D447 | R439-K443 PolarHBondContact O-N 3.19Å; R439-K443 VanDerWaalsContact O-N 3.14Å; K440-K443 PolarHBondContact O-N 2.71Å; K443-L445 PolarHBondContact O-N 2.89Å; K443-D446 PolarHBondContact O-N 3.21Å; K443-D447 WeakPolarHBondContact CE-OD1 3.17Å; K443-D447 WeakPolarHBondContact CE-OD2 3.12Å; K443-D447 IonicContact NZ-OD1 3.69Å; K443-D447 VanDerWaalsContact O-CB 3.28Å; K443-D447 WeakPolarHBondContact O-CB 3.38Å; K443-D447 PolarHBondContact O-N 3.04Å |
| 444 | Q | 86.4 | Confident | 82.5 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.1 | -21.2 | 175.3 | -76.3 | 176.1 | 11.4 | 0 | 0 | 113.4 | K440 L441 Y442 K448 | K440-Q444 WeakPolarHBondContact O-CB 3.2Å; K440-Q444 WeakPolarHBondContact O-CG 3.4Å; K440-Q444 PolarHBondContact O-N 3.01Å; L441-Q444 CarbonylContact O-C 3.57Å; L441-Q444 PolarHBondContact O-N 3.46Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.87Å; Q444-K448 VanDerWaalsContact O-CB 3.31Å; Q444-K448 WeakPolarHBondContact O-CB 3.23Å; Q444-K448 WeakPolarHBondContact O-CG 3.48Å; Q444-K448 PolarHBondContact O-N 3.45Å |
| 445 | L | 81.7 | Confident | 83.2 | Confident | 91 Ų | 91 | 103.9 Ų | 103.9 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -79.2 | -46.5 | 171.4 | -168.6 | 66.5 | 0 | 0 | 0 | 110.3 | L441 Y442 K443 K448 D449 | L441-L445 PolarHBondContact O-N 3.31Å; Y442-L445 CarbonylContact O-C 3.54Å; Y442-L445 WeakPolarHBondContact O-CA 3.5Å; Y442-L445 VanDerWaalsContact O-CB 3.31Å; Y442-L445 WeakPolarHBondContact O-CB 3.27Å; Y442-L445 PolarHBondContact O-N 2.93Å; K443-L445 PolarHBondContact O-N 2.89Å; L445-K448 CarbonylContact O-C 3.59Å; L445-K448 WeakPolarHBondContact O-CA 3.38Å; L445-K448 WeakPolarHBondContact O-CB 3.5Å; L445-K448 PolarHBondContact O-N 2.9Å; L445-D449 PolarHBondContact O-N 3.44Å |
| 446 | D | 82.5 | Confident | 83.7 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.2 | -51.3 | 173.8 | -55.9 | -32.9 | 0 | 0 | 0 | 111 | Y442 K443 K448 D449 D450 | Y442-D446 VanDerWaalsContact O-CG 3.28Å; Y442-D446 PolarHBondContact O-N 3.48Å; K443-D446 PolarHBondContact O-N 3.21Å; D446-K448 PolarHBondContact O-N 2.9Å; D446-D449 PolarHBondContact O-N 2.89Å; D446-D450 PolarHBondContact O-N 2.95Å |
| 447 | D | 85.6 | Confident | 84.2 | Confident | 87 Ų | 87 | 105 Ų | 105 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -17.5 | 175.2 | -68.7 | -23.9 | 0 | 0 | 0 | 112.2 | K443 | K443-D447 WeakPolarHBondContact CE-OD1 3.17Å; K443-D447 WeakPolarHBondContact CE-OD2 3.12Å; K443-D447 IonicContact NZ-OD1 3.69Å; K443-D447 VanDerWaalsContact O-CB 3.28Å; K443-D447 WeakPolarHBondContact O-CB 3.38Å; K443-D447 PolarHBondContact O-N 3.04Å |
| 448 | K | 86.1 | Confident | 84.6 | Confident | 128 Ų | 128 | 104.9 Ų | 104.9 | 56% | 0.557 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -98 | -37.4 | 177.4 | -80.5 | -72.7 | 174.7 | -164.9 | 0 | 113.5 | Q444 L445 D446 D450 E451 I452 | Q444-K448 VanDerWaalsContact O-CB 3.31Å; Q444-K448 WeakPolarHBondContact O-CB 3.23Å; Q444-K448 WeakPolarHBondContact O-CG 3.48Å; Q444-K448 PolarHBondContact O-N 3.45Å; L445-K448 CarbonylContact O-C 3.59Å; L445-K448 WeakPolarHBondContact O-CA 3.38Å; L445-K448 WeakPolarHBondContact O-CB 3.5Å; L445-K448 PolarHBondContact O-N 2.9Å; D446-K448 PolarHBondContact O-N 2.9Å; K448-D450 VanDerWaalsContact C-N 3.32Å; K448-E451 PolarHBondContact O-N 3.26Å; K448-I452 WeakPolarHBondContact O-CB 3.34Å; K448-I452 VanDerWaalsContact O-CG1 3.27Å; K448-I452 WeakPolarHBondContact O-CG1 3.36Å; K448-I452 PolarHBondContact O-N 2.94Å |
| 449 | D | 84.9 | Confident | 85.2 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -32.4 | 174.7 | -75.7 | -19.6 | 0 | 0 | 0 | 110.8 | L445 D446 I452 N453 | L445-D449 PolarHBondContact O-N 3.44Å; D446-D449 PolarHBondContact O-N 2.89Å; D449-I452 PolarHBondContact O-N 2.69Å; D449-N453 VanDerWaalsContact O-CB 3.32Å; D449-N453 WeakPolarHBondContact O-CB 3.28Å; D449-N453 PolarHBondContact O-N 2.92Å; D449-N453 PolarHBondContact O-ND2 3.1Å |
| 450 | D | 87.6 | Confident | 85.6 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 168.5 | -90 | -13.7 | 0 | 0 | 0 | 112.1 | D446 K448 N453 H454 | D446-D450 PolarHBondContact O-N 2.95Å; K448-D450 VanDerWaalsContact C-N 3.32Å; D450-N453 PolarHBondContact O-N 2.8Å; D450-H454 WeakPolarHBondContact O-CB 3.42Å; D450-H454 PolarHBondContact O-N 2.73Å |
| 451 | E | 89.6 | Confident | 85.9 | Confident | 96 Ų | 96 | 102.7 Ų | 102.7 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.3 | 177.5 | 68 | -145.1 | 0 | 0 | 111.4 | K448 N453 H454 Q455 | K448-E451 PolarHBondContact O-N 3.26Å; E451-N453 PolarHBondContact O-N 3.13Å; E451-H454 PolarHBondContact O-N 3.43Å; E451-Q455 WeakPolarHBondContact O-CB 3.3Å; E451-Q455 WeakPolarHBondContact O-CG 3.3Å; E451-Q455 PolarHBondContact O-N 2.66Å; E451-Q455 PolarHBondContact OE1-NE2 3.34Å |
| 452 | I | 88.3 | Confident | 86.2 | Confident | 89 Ų | 89 | 102.6 Ų | 102.6 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.7 | -71.4 | 164.4 | 0 | 0 | 0 | 110.9 | K448 D449 S456 | K448-I452 WeakPolarHBondContact O-CB 3.34Å; K448-I452 VanDerWaalsContact O-CG1 3.27Å; K448-I452 WeakPolarHBondContact O-CG1 3.36Å; K448-I452 PolarHBondContact O-N 2.94Å; D449-I452 PolarHBondContact O-N 2.69Å; I452-S456 VanDerWaalsContact O-CB 3.28Å; I452-S456 WeakPolarHBondContact O-CB 3.5Å; I452-S456 PolarHBondContact O-N 2.79Å; I452-S456 PolarHBondContact O-OG 2.95Å |
| 453 | N | 85 | Confident | 86.6 | Confident | 87 Ų | 87 | 100 Ų | 100 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.1 | -84.1 | -52.3 | 0 | 0 | 0 | 111.5 | D449 D450 E451 S456 Q457 | D449-N453 VanDerWaalsContact O-CB 3.32Å; D449-N453 WeakPolarHBondContact O-CB 3.28Å; D449-N453 PolarHBondContact O-N 2.92Å; D449-N453 PolarHBondContact O-ND2 3.1Å; D450-N453 PolarHBondContact O-N 2.8Å; E451-N453 PolarHBondContact O-N 3.13Å; N453-S456 PolarHBondContact O-N 3.23Å; N453-Q457 WeakPolarHBondContact O-CB 3.46Å; N453-Q457 WeakPolarHBondContact O-CG 3.36Å; N453-Q457 PolarHBondContact O-N 2.82Å |
| 454 | H | 87.4 | Confident | 86.8 | Confident | 137 Ų | 137 | 100 Ų | 100 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 178.2 | -136.7 | 86.4 | 0 | 0 | 0 | 111.8 | D450 E451 Q457 M458 | D450-H454 WeakPolarHBondContact O-CB 3.42Å; D450-H454 PolarHBondContact O-N 2.73Å; E451-H454 PolarHBondContact O-N 3.43Å; H454-Q457 PolarHBondContact O-N 2.78Å; H454-M458 WeakPolarHBondContact O-CB 3.04Å; H454-M458 PolarHBondContact O-N 3.28Å |
| 455 | Q | 87.7 | Confident | 86.8 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.4 | -69.9 | -178.6 | 18.6 | 0 | 0 | 111.8 | E451 M458 V459 | E451-Q455 WeakPolarHBondContact O-CB 3.3Å; E451-Q455 WeakPolarHBondContact O-CG 3.3Å; E451-Q455 PolarHBondContact O-N 2.66Å; E451-Q455 PolarHBondContact OE1-NE2 3.34Å; Q455-M458 PolarHBondContact O-N 2.83Å; Q455-V459 WeakPolarHBondContact O-CG2 3.23Å; Q455-V459 PolarHBondContact O-N 3.46Å |
| 456 | S | 86.1 | Confident | 86.9 | Confident | 61 Ų | 61 | 100 Ų | 100 | 43% | 0.427 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.7 | -59.2 | 0 | 0 | 0 | 0 | 112 | I452 N453 M458 V459 E460 | I452-S456 VanDerWaalsContact O-CB 3.28Å; I452-S456 WeakPolarHBondContact O-CB 3.5Å; I452-S456 PolarHBondContact O-N 2.79Å; I452-S456 PolarHBondContact O-OG 2.95Å; N453-S456 PolarHBondContact O-N 3.23Å; S456-M458 VanDerWaalsContact C-N 3.3Å; S456-M458 PolarHBondContact O-N 2.83Å; S456-V459 PolarHBondContact O-N 3.44Å; S456-E460 PolarHBondContact O-N 3.37Å |
| 457 | Q | 87.8 | Confident | 87 | Confident | 105 Ų | 105 | 100.4 Ų | 100.4 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 174.2 | -71.1 | 177.5 | 30.5 | 0 | 0 | 112.8 | N453 H454 K461 | N453-Q457 WeakPolarHBondContact O-CB 3.46Å; N453-Q457 WeakPolarHBondContact O-CG 3.36Å; N453-Q457 PolarHBondContact O-N 2.82Å; H454-Q457 PolarHBondContact O-N 2.78Å; Q457-K461 WeakPolarHBondContact O-CD 3.05Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 2.77Å |
| 458 | M | 87.1 | Confident | 87.1 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 174.2 | -176.6 | 171.5 | 61.9 | 0 | 0 | 111.5 | H454 Q455 S456 L462 | H454-M458 WeakPolarHBondContact O-CB 3.04Å; H454-M458 PolarHBondContact O-N 3.28Å; Q455-M458 PolarHBondContact O-N 2.83Å; S456-M458 VanDerWaalsContact C-N 3.3Å; S456-M458 PolarHBondContact O-N 2.83Å; M458-L462 HydrophobicContact CG-CD1 4.08Å; M458-L462 WeakPolarHBondContact O-CB 3.39Å; M458-L462 VanDerWaalsContact O-CG 3.27Å; M458-L462 WeakPolarHBondContact O-CG 3.38Å; M458-L462 PolarHBondContact O-N 3.32Å |
| 459 | V | 88.1 | Confident | 86.9 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 174.9 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | Q455 S456 L462 K463 | Q455-V459 WeakPolarHBondContact O-CG2 3.23Å; Q455-V459 PolarHBondContact O-N 3.46Å; S456-V459 PolarHBondContact O-N 3.44Å; V459-L462 PolarHBondContact O-N 2.68Å; V459-K463 WeakPolarHBondContact O-CG 3.3Å; V459-K463 PolarHBondContact O-N 3.06Å |
| 460 | E | 88.4 | Confident | 86.9 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | -179.6 | -141.5 | 62.7 | -149.6 | 0 | 0 | 112.1 | S456 L462 K463 E464 | S456-E460 PolarHBondContact O-N 3.37Å; E460-L462 VanDerWaalsContact C-N 3.28Å; E460-L462 PolarHBondContact O-N 3.2Å; E460-K463 WeakPolarHBondContact O-CB 3.49Å; E460-K463 PolarHBondContact O-N 2.92Å; E460-K463 VanDerWaalsContact O-N 3.16Å; E460-K463 VanDerWaalsContact OE1-CD 3.27Å; E460-K463 WeakPolarHBondContact OE1-CD 3.3Å; E460-K463 IonicContact OE1-NZ 2.65Å; E460-K463 PolarHBondContact OE1-NZ 3.32Å; E460-K463 IonicContact OE2-NZ 3.94Å; E460-K463 PolarHBondContact OE2-NZ 3.08Å; E460-E464 WeakPolarHBondContact O-CB 3.39Å; E460-E464 PolarHBondContact O-N 2.87Å |
| 461 | K | 89.1 | Confident | 86.9 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | 173.2 | -70.7 | 170.3 | -174.1 | 170.3 | 0 | 112.9 | Q457 Q465 | Q457-K461 WeakPolarHBondContact O-CD 3.05Å; Q457-K461 WeakPolarHBondContact O-CG 3.44Å; Q457-K461 PolarHBondContact O-N 2.77Å; K461-Q465 WeakPolarHBondContact O-CB 3.4Å; K461-Q465 VanDerWaalsContact O-CG 3.26Å; K461-Q465 WeakPolarHBondContact O-CG 3.22Å; K461-Q465 PolarHBondContact O-N 2.92Å |
| 462 | L | 87.5 | Confident | 86.8 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.7 | -32 | 175.3 | -73.6 | 168.8 | 0 | 0 | 0 | 112.4 | M458 V459 E460 M466 | M458-L462 HydrophobicContact CG-CD1 4.08Å; M458-L462 WeakPolarHBondContact O-CB 3.39Å; M458-L462 VanDerWaalsContact O-CG 3.27Å; M458-L462 WeakPolarHBondContact O-CG 3.38Å; M458-L462 PolarHBondContact O-N 3.32Å; V459-L462 PolarHBondContact O-N 2.68Å; E460-L462 VanDerWaalsContact C-N 3.28Å; E460-L462 PolarHBondContact O-N 3.2Å; L462-M466 VanDerWaalsContact O-CB 3.32Å; L462-M466 WeakPolarHBondContact O-CB 3.38Å; L462-M466 PolarHBondContact O-N 2.81Å; L462-M466 VanDerWaalsContact O-N 3.08Å |
| 463 | K | 86.3 | Confident | 86.6 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 41% | 0.409 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 169.6 | -67.9 | 169.1 | -179 | 165.6 | 0 | 111.4 | V459 E460 Q465 M466 L467 | V459-K463 WeakPolarHBondContact O-CG 3.3Å; V459-K463 PolarHBondContact O-N 3.06Å; E460-K463 WeakPolarHBondContact O-CB 3.49Å; E460-K463 PolarHBondContact O-N 2.92Å; E460-K463 VanDerWaalsContact O-N 3.16Å; E460-K463 VanDerWaalsContact OE1-CD 3.27Å; E460-K463 WeakPolarHBondContact OE1-CD 3.3Å; E460-K463 IonicContact OE1-NZ 2.65Å; E460-K463 PolarHBondContact OE1-NZ 3.32Å; E460-K463 IonicContact OE2-NZ 3.94Å; E460-K463 PolarHBondContact OE2-NZ 3.08Å; K463-Q465 PolarHBondContact O-N 3.17Å; K463-M466 WeakPolarHBondContact O-CA 3.41Å; K463-M466 WeakPolarHBondContact O-CB 3.48Å; K463-M466 PolarHBondContact O-N 3.35Å; K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 3.16Å |
| 464 | E | 89.4 | Confident | 86.6 | Confident | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -55.4 | -51.9 | 178 | -170.3 | 173.8 | -143.4 | 0 | 0 | 110.1 | E460 M466 L467 D468 | E460-E464 WeakPolarHBondContact O-CB 3.39Å; E460-E464 PolarHBondContact O-N 2.87Å; E464-M466 PolarHBondContact O-N 3.23Å; E464-L467 PolarHBondContact O-N 3.15Å; E464-D468 PolarHBondContact O-N 3.39Å |
| 465 | Q | 87.1 | Confident | 86.6 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -24.2 | 174.3 | -71.8 | 175.8 | 1.5 | 0 | 0 | 114.8 | K461 K463 Q469 | K461-Q465 WeakPolarHBondContact O-CB 3.4Å; K461-Q465 VanDerWaalsContact O-CG 3.26Å; K461-Q465 WeakPolarHBondContact O-CG 3.22Å; K461-Q465 PolarHBondContact O-N 2.92Å; K463-Q465 PolarHBondContact O-N 3.17Å; Q465-Q469 VanDerWaalsContact O-CG 3.29Å; Q465-Q469 WeakPolarHBondContact O-CG 3.27Å; Q465-Q469 PolarHBondContact O-N 2.85Å |
| 466 | M | 83.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 100 Ų | 100 | 51% | 0.507 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -79.6 | -40.6 | 175.6 | -169.4 | -175.4 | 80.1 | 0 | 0 | 111.1 | L462 K463 E464 Q469 E470 | L462-M466 VanDerWaalsContact O-CB 3.32Å; L462-M466 WeakPolarHBondContact O-CB 3.38Å; L462-M466 PolarHBondContact O-N 2.81Å; L462-M466 VanDerWaalsContact O-N 3.08Å; K463-M466 WeakPolarHBondContact O-CA 3.41Å; K463-M466 WeakPolarHBondContact O-CB 3.48Å; K463-M466 PolarHBondContact O-N 3.35Å; E464-M466 PolarHBondContact O-N 3.23Å; M466-Q469 PolarHBondContact O-N 2.84Å; M466-E470 WeakPolarHBondContact O-CG 3.47Å; M466-E470 PolarHBondContact O-N 3.45Å |
| 467 | L | 85.1 | Confident | 86.3 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 175 | -70.1 | 168.6 | 0 | 0 | 0 | 111.2 | K463 E464 Q469 E470 E471 | K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 3.16Å; E464-L467 PolarHBondContact O-N 3.15Å; L467-Q469 PolarHBondContact O-N 2.58Å; L467-E470 PolarHBondContact O-N 2.98Å; L467-E470 VanDerWaalsContact O-N 3.12Å; L467-E471 PolarHBondContact O-N 2.97Å |
| 468 | D | 87.8 | Confident | 86.2 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54 | -40.9 | 172.3 | -71.8 | -12.6 | 0 | 0 | 0 | 111.6 | E464 L472 | E464-D468 PolarHBondContact O-N 3.39Å; D468-L472 WeakPolarHBondContact O-CB 3.4Å; D468-L472 WeakPolarHBondContact O-CD1 3.49Å; D468-L472 VanDerWaalsContact O-CG 3.29Å; D468-L472 WeakPolarHBondContact O-CG 3.49Å; D468-L472 PolarHBondContact O-N 2.84Å |
| 469 | Q | 81.3 | Confident | 86.1 | Confident | 123 Ų | 123 | 99.9 Ų | 99.9 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.3 | -37.5 | 177.8 | -76.5 | 179.1 | 40.1 | 0 | 0 | 112.8 | Q465 M466 L467 L473 | Q465-Q469 VanDerWaalsContact O-CG 3.29Å; Q465-Q469 WeakPolarHBondContact O-CG 3.27Å; Q465-Q469 PolarHBondContact O-N 2.85Å; M466-Q469 PolarHBondContact O-N 2.84Å; L467-Q469 PolarHBondContact O-N 2.58Å; Q469-L473 VanDerWaalsContact O-CB 3.29Å; Q469-L473 WeakPolarHBondContact O-CB 3.38Å; Q469-L473 WeakPolarHBondContact O-CD1 3.5Å; Q469-L473 WeakPolarHBondContact O-CG 3.23Å; Q469-L473 PolarHBondContact O-N 3.43Å |
| 470 | E | 84.3 | Confident | 85.7 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 174.7 | -73.7 | -168.3 | 142.6 | 0 | 0 | 111.7 | M466 L467 L473 A474 | M466-E470 WeakPolarHBondContact O-CG 3.47Å; M466-E470 PolarHBondContact O-N 3.45Å; L467-E470 PolarHBondContact O-N 2.98Å; L467-E470 VanDerWaalsContact O-N 3.12Å; E470-L473 PolarHBondContact O-N 3.33Å; E470-A474 WeakPolarHBondContact O-CB 3.31Å; E470-A474 PolarHBondContact O-N 3.01Å |
| 471 | E | 88.6 | Confident | 85.6 | Confident | 145 Ų | 145 | 101.3 Ų | 101.3 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 173.8 | -172.4 | 176.5 | 172.1 | 0 | 0 | 111.7 | L467 L473 A474 S475 | L467-E471 PolarHBondContact O-N 2.97Å; E471-L473 VanDerWaalsContact C-N 3.29Å; E471-L473 PolarHBondContact O-N 3.41Å; E471-A474 PolarHBondContact O-N 2.69Å; E471-S475 WeakPolarHBondContact O-CB 3.41Å; E471-S475 PolarHBondContact O-N 3.46Å |
| 472 | L | 87 | Confident | 85.5 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -38.5 | 174.5 | -79.6 | 167 | 0 | 0 | 0 | 112.3 | D468 S476 | D468-L472 WeakPolarHBondContact O-CB 3.4Å; D468-L472 WeakPolarHBondContact O-CD1 3.49Å; D468-L472 VanDerWaalsContact O-CG 3.29Å; D468-L472 WeakPolarHBondContact O-CG 3.49Å; D468-L472 PolarHBondContact O-N 2.84Å; L472-S476 WeakPolarHBondContact O-CB 3.33Å; L472-S476 PolarHBondContact O-N 2.95Å |
| 473 | L | 83 | Confident | 85.4 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 175.8 | -74.3 | 169 | 0 | 0 | 0 | 112.4 | Q469 E470 E471 R477 | Q469-L473 VanDerWaalsContact O-CB 3.29Å; Q469-L473 WeakPolarHBondContact O-CB 3.38Å; Q469-L473 WeakPolarHBondContact O-CD1 3.5Å; Q469-L473 WeakPolarHBondContact O-CG 3.23Å; Q469-L473 PolarHBondContact O-N 3.43Å; E470-L473 PolarHBondContact O-N 3.33Å; E471-L473 VanDerWaalsContact C-N 3.29Å; E471-L473 PolarHBondContact O-N 3.41Å; L473-R477 WeakPolarHBondContact O-CB 3.47Å; L473-R477 VanDerWaalsContact O-CG 3.25Å; L473-R477 WeakPolarHBondContact O-CG 3.44Å; L473-R477 PolarHBondContact O-N 3.27Å |
| 474 | A | 85.7 | Confident | 85.3 | Confident | 61 Ų | 61 | 104 Ų | 104 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E470 E471 R477 G478 | E470-A474 WeakPolarHBondContact O-CB 3.31Å; E470-A474 PolarHBondContact O-N 3.01Å; E471-A474 PolarHBondContact O-N 2.69Å; A474-R477 PolarHBondContact O-N 3.34Å; A474-G478 PolarHBondContact O-N 2.85Å |
| 475 | S | 87.6 | Confident | 85.1 | Confident | 69 Ų | 69 | 102.4 Ų | 102.4 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | E471 R477 G478 D479 | E471-S475 WeakPolarHBondContact O-CB 3.41Å; E471-S475 PolarHBondContact O-N 3.46Å; S475-R477 VanDerWaalsContact C-N 3.34Å; S475-R477 PolarHBondContact O-N 3.31Å; S475-G478 PolarHBondContact O-N 2.91Å; S475-G478 VanDerWaalsContact O-N 3.16Å; S475-D479 PolarHBondContact O-N 3.02Å |
| 476 | S | 81.6 | Confident | 85.1 | Confident | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 177.2 | -176 | 0 | 0 | 0 | 0 | 113.3 | L472 S480 | L472-S476 WeakPolarHBondContact O-CB 3.33Å; L472-S476 PolarHBondContact O-N 2.95Å; S476-S480 WeakPolarHBondContact O-CB 3.17Å; S476-S480 PolarHBondContact O-N 2.77Å |
| 477 | R | 86.6 | Confident | 85.2 | Confident | 172 Ų | 172 | 101.6 Ų | 101.6 | 65% | 0.649 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -47.9 | 172.1 | -75.8 | 173.1 | -175.5 | -172.6 | 4.6 | 111.9 | L473 A474 S475 D479 S480 E481 | L473-R477 WeakPolarHBondContact O-CB 3.47Å; L473-R477 VanDerWaalsContact O-CG 3.25Å; L473-R477 WeakPolarHBondContact O-CG 3.44Å; L473-R477 PolarHBondContact O-N 3.27Å; A474-R477 PolarHBondContact O-N 3.34Å; S475-R477 VanDerWaalsContact C-N 3.34Å; S475-R477 PolarHBondContact O-N 3.31Å; R477-D479 VanDerWaalsContact C-N 3.29Å; R477-D479 PolarHBondContact O-N 3.14Å; R477-S480 WeakPolarHBondContact O-CB 3.47Å; R477-S480 PolarHBondContact O-N 3.35Å; R477-S480 VanDerWaalsContact O-N 3.13Å; R477-E481 WeakPolarHBondContact O-CG 3.49Å; R477-E481 PolarHBondContact O-N 3.49Å |
| 478 | G | 84.8 | Confident | 85.2 | Confident | 22 Ų | 22 | 98.4 Ų | 98.4 | 23% | 0.227 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A474 S475 K482 | A474-G478 PolarHBondContact O-N 2.85Å; S475-G478 PolarHBondContact O-N 2.91Å; S475-G478 VanDerWaalsContact O-N 3.16Å; G478-K482 WeakPolarHBondContact O-CE 3.43Å; G478-K482 VanDerWaalsContact O-CG 3.24Å; G478-K482 WeakPolarHBondContact O-CG 3.49Å; G478-K482 PolarHBondContact O-N 3.37Å; G478-K482 VanDerWaalsContact O-N 3.1Å |
| 479 | D | 86 | Confident | 85.3 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.2 | -37 | 173.4 | -78.6 | -8 | 0 | 0 | 0 | 112.7 | S475 R477 E481 K482 V483 | S475-D479 PolarHBondContact O-N 3.02Å; R477-D479 VanDerWaalsContact C-N 3.29Å; R477-D479 PolarHBondContact O-N 3.14Å; D479-E481 VanDerWaalsContact C-N 3.33Å; D479-E481 PolarHBondContact O-N 3.46Å; D479-K482 PolarHBondContact O-N 3.11Å; D479-K482 IonicContact OD1-NZ 2.92Å; D479-K482 PolarHBondContact OD1-NZ 3.42Å; D479-V483 WeakPolarHBondContact O-CG2 3.37Å; D479-V483 PolarHBondContact O-N 2.66Å |
| 480 | S | 78.8 | Confident | 85.4 | Confident | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 171.3 | -172.9 | 0 | 0 | 0 | 0 | 112 | S476 R477 V483 Q484 | S476-S480 WeakPolarHBondContact O-CB 3.17Å; S476-S480 PolarHBondContact O-N 2.77Å; R477-S480 WeakPolarHBondContact O-CB 3.47Å; R477-S480 PolarHBondContact O-N 3.35Å; R477-S480 VanDerWaalsContact O-N 3.13Å; S480-V483 PolarHBondContact O-N 3.18Å; S480-Q484 VanDerWaalsContact O-CB 3.3Å; S480-Q484 WeakPolarHBondContact O-CB 3.38Å; S480-Q484 PolarHBondContact O-N 3.24Å |
| 481 | E | 87.1 | Confident | 85.4 | Confident | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 176.7 | -73.4 | 172.9 | -167.7 | 0 | 0 | 112.2 | R477 D479 Q484 S485 | R477-E481 WeakPolarHBondContact O-CG 3.49Å; R477-E481 PolarHBondContact O-N 3.49Å; D479-E481 VanDerWaalsContact C-N 3.33Å; D479-E481 PolarHBondContact O-N 3.46Å; E481-Q484 PolarHBondContact O-N 2.79Å; E481-S485 WeakPolarHBondContact O-CB 3.47Å; E481-S485 PolarHBondContact O-N 2.93Å |
| 482 | K | 86.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 94 Ų | 94 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 173 | -69.6 | 163.9 | -151.3 | 163.4 | 0 | 111.5 | G478 D479 Q484 S485 E486 | G478-K482 WeakPolarHBondContact O-CE 3.43Å; G478-K482 VanDerWaalsContact O-CG 3.24Å; G478-K482 WeakPolarHBondContact O-CG 3.49Å; G478-K482 PolarHBondContact O-N 3.37Å; G478-K482 VanDerWaalsContact O-N 3.1Å; D479-K482 PolarHBondContact O-N 3.11Å; D479-K482 IonicContact OD1-NZ 2.92Å; D479-K482 PolarHBondContact OD1-NZ 3.42Å; K482-Q484 VanDerWaalsContact C-N 3.32Å; K482-Q484 PolarHBondContact O-N 2.57Å; K482-S485 PolarHBondContact O-N 3.37Å; K482-E486 WeakPolarHBondContact O-CG 3.29Å; K482-E486 PolarHBondContact O-N 2.82Å |
| 483 | V | 86.9 | Confident | 85 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 179.6 | 170 | 0 | 0 | 0 | 0 | 111.4 | D479 S480 L487 | D479-V483 WeakPolarHBondContact O-CG2 3.37Å; D479-V483 PolarHBondContact O-N 2.66Å; S480-V483 PolarHBondContact O-N 3.18Å; V483-L487 VanDerWaalsContact O-CB 3.29Å; V483-L487 WeakPolarHBondContact O-CB 3.28Å; V483-L487 PolarHBondContact O-N 3.21Å |
| 484 | Q | 82.9 | Confident | 85 | Confident | 140 Ų | 140 | 92.1 Ų | 92.1 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -34.2 | 177.5 | -170 | 164.4 | -15.2 | 0 | 0 | 112.5 | S480 E481 K482 G488 | S480-Q484 VanDerWaalsContact O-CB 3.3Å; S480-Q484 WeakPolarHBondContact O-CB 3.38Å; S480-Q484 PolarHBondContact O-N 3.24Å; E481-Q484 PolarHBondContact O-N 2.79Å; K482-Q484 VanDerWaalsContact C-N 3.32Å; K482-Q484 PolarHBondContact O-N 2.57Å; Q484-G488 PolarHBondContact O-N 3.01Å |
| 485 | S | 86.1 | Confident | 85 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.8 | -45.9 | 172.2 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | E481 K482 L487 G488 R489 | E481-S485 WeakPolarHBondContact O-CB 3.47Å; E481-S485 PolarHBondContact O-N 2.93Å; K482-S485 PolarHBondContact O-N 3.37Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.25Å; S485-G488 PolarHBondContact O-N 3.14Å; S485-R489 PolarHBondContact O-N 3.5Å |
| 486 | E | 86.1 | Confident | 84.9 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 172.8 | -79.1 | -106.3 | 92.8 | 0 | 0 | 112 | K482 G488 R489 L490 | K482-E486 WeakPolarHBondContact O-CG 3.29Å; K482-E486 PolarHBondContact O-N 2.82Å; E486-G488 VanDerWaalsContact C-N 3.34Å; E486-G488 PolarHBondContact O-N 3.37Å; E486-R489 PolarHBondContact O-N 3.31Å; E486-R489 IonicContact OE1-CZ 2.72Å; E486-R489 IonicContact OE1-NE 2.65Å; E486-R489 PolarHBondContact OE1-NE 2.87Å; E486-R489 IonicContact OE1-NH2 2.67Å; E486-R489 PolarHBondContact OE1-NH2 3.34Å; E486-L490 WeakPolarHBondContact O-CB 3.5Å; E486-L490 VanDerWaalsContact O-CG 3.3Å; E486-L490 WeakPolarHBondContact O-CG 3.45Å; E486-L490 PolarHBondContact O-N 2.75Å |
| 487 | L | 85.1 | Confident | 84.8 | Confident | 93 Ų | 93 | 92.2 Ų | 92.2 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 176 | -177.5 | 62.7 | 0 | 0 | 0 | 111.7 | V483 S485 L490 Q491 | V483-L487 VanDerWaalsContact O-CB 3.29Å; V483-L487 WeakPolarHBondContact O-CB 3.28Å; V483-L487 PolarHBondContact O-N 3.21Å; S485-L487 VanDerWaalsContact C-N 3.34Å; S485-L487 PolarHBondContact O-N 3.25Å; L487-L490 PolarHBondContact O-N 3.48Å; L487-Q491 WeakPolarHBondContact O-CB 3.29Å; L487-Q491 VanDerWaalsContact O-CG 3.26Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.11Å |
| 488 | G | 85.8 | Confident | 84.7 | Confident | 37 Ų | 37 | 88.8 Ų | 88.8 | 38% | 0.381 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q484 S485 E486 Q491 A492 | Q484-G488 PolarHBondContact O-N 3.01Å; S485-G488 PolarHBondContact O-N 3.14Å; E486-G488 VanDerWaalsContact C-N 3.34Å; E486-G488 PolarHBondContact O-N 3.37Å; G488-Q491 PolarHBondContact O-N 2.86Å; G488-A492 PolarHBondContact O-N 2.85Å |
| 489 | R | 90.4 | Very high | 84.6 | Confident | 111 Ų | 111 | 91.3 Ų | 91.3 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 174.3 | -177.8 | -179.2 | 65.7 | 75.3 | 0.8 | 111.5 | S485 E486 Q491 A492 E493 | S485-R489 PolarHBondContact O-N 3.5Å; E486-R489 PolarHBondContact O-N 3.31Å; E486-R489 IonicContact OE1-CZ 2.72Å; E486-R489 IonicContact OE1-NE 2.65Å; E486-R489 PolarHBondContact OE1-NE 2.87Å; E486-R489 IonicContact OE1-NH2 2.67Å; E486-R489 PolarHBondContact OE1-NH2 3.34Å; R489-Q491 VanDerWaalsContact C-N 3.3Å; R489-Q491 PolarHBondContact O-N 2.94Å; R489-A492 PolarHBondContact O-N 2.92Å; R489-E493 VanDerWaalsContact CG-OE1 3.28Å; R489-E493 WeakPolarHBondContact CG-OE1 3.45Å; R489-E493 IonicContact CZ-OE1 2.71Å; R489-E493 IonicContact NH1-OE1 2.63Å; R489-E493 PolarHBondContact NH1-OE1 3.41Å; R489-E493 IonicContact NH1-OE2 3.22Å; R489-E493 PolarHBondContact NH1-OE2 3.21Å; R489-E493 WeakPolarHBondContact O-CG 3.42Å; R489-E493 PolarHBondContact O-N 3.35Å |
| 490 | L | 83.1 | Confident | 84.5 | Confident | 89 Ų | 89 | 93 Ų | 93 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -30.9 | 179.5 | -70.9 | 170.6 | 0 | 0 | 0 | 112.6 | E486 L487 N494 | E486-L490 WeakPolarHBondContact O-CB 3.5Å; E486-L490 VanDerWaalsContact O-CG 3.3Å; E486-L490 WeakPolarHBondContact O-CG 3.45Å; E486-L490 PolarHBondContact O-N 2.75Å; L487-L490 PolarHBondContact O-N 3.48Å; L490-N494 VanDerWaalsContact O-CB 3.25Å; L490-N494 WeakPolarHBondContact O-CB 3.37Å; L490-N494 PolarHBondContact O-N 2.97Å |
| 491 | Q | 84.4 | Confident | 84.7 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 171.7 | -76.9 | 173.6 | 4.5 | 0 | 0 | 111.8 | L487 G488 R489 N494 E495 | L487-Q491 WeakPolarHBondContact O-CB 3.29Å; L487-Q491 VanDerWaalsContact O-CG 3.26Å; L487-Q491 WeakPolarHBondContact O-CG 3.48Å; L487-Q491 PolarHBondContact O-N 3.11Å; G488-Q491 PolarHBondContact O-N 2.86Å; R489-Q491 VanDerWaalsContact C-N 3.3Å; R489-Q491 PolarHBondContact O-N 2.94Å; Q491-N494 WeakPolarHBondContact O-CB 3.49Å; Q491-N494 PolarHBondContact O-N 2.87Å; Q491-N494 VanDerWaalsContact O-N 3.17Å; Q491-E495 PolarHBondContact O-N 2.89Å |
| 492 | A | 84.8 | Confident | 84.4 | Confident | 65 Ų | 65 | 94.4 Ų | 94.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G488 R489 N494 E495 S496 | G488-A492 PolarHBondContact O-N 2.85Å; R489-A492 PolarHBondContact O-N 2.92Å; A492-N494 VanDerWaalsContact C-N 3.29Å; A492-N494 PolarHBondContact O-N 3.31Å; A492-E495 PolarHBondContact O-N 2.93Å; A492-S496 PolarHBondContact O-N 2.96Å |
| 493 | E | 82.7 | Confident | 84.3 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -35.7 | 173.5 | -73.2 | 169.4 | -166.8 | 0 | 0 | 111.8 | R489 A497 | R489-E493 VanDerWaalsContact CG-OE1 3.28Å; R489-E493 WeakPolarHBondContact CG-OE1 3.45Å; R489-E493 IonicContact CZ-OE1 2.71Å; R489-E493 IonicContact NH1-OE1 2.63Å; R489-E493 PolarHBondContact NH1-OE1 3.41Å; R489-E493 IonicContact NH1-OE2 3.22Å; R489-E493 PolarHBondContact NH1-OE2 3.21Å; R489-E493 WeakPolarHBondContact O-CG 3.42Å; R489-E493 PolarHBondContact O-N 3.35Å; E493-A497 WeakPolarHBondContact O-CB 3.26Å; E493-A497 PolarHBondContact O-N 2.76Å |
| 494 | N | 83.3 | Confident | 83.9 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.2 | -163.5 | -100 | 0 | 0 | 0 | 113.2 | L490 Q491 A492 K498 | L490-N494 VanDerWaalsContact O-CB 3.25Å; L490-N494 WeakPolarHBondContact O-CB 3.37Å; L490-N494 PolarHBondContact O-N 2.97Å; Q491-N494 WeakPolarHBondContact O-CB 3.49Å; Q491-N494 PolarHBondContact O-N 2.87Å; Q491-N494 VanDerWaalsContact O-N 3.17Å; A492-N494 VanDerWaalsContact C-N 3.29Å; A492-N494 PolarHBondContact O-N 3.31Å; N494-K498 WeakPolarHBondContact O-CD 3.41Å; N494-K498 WeakPolarHBondContact O-CG 3.46Å; N494-K498 PolarHBondContact O-N 2.85Å; N494-K498 VanDerWaalsContact O-N 3.08Å; N494-K498 WeakPolarHBondContact OD1-CE 3.46Å; N494-K498 PolarHBondContact OD1-NZ 3.17Å |
| 495 | E | 85.7 | Confident | 83.6 | Confident | 108 Ų | 108 | 92.9 Ų | 92.9 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -38.6 | 173.5 | -62.8 | -52.3 | 143.3 | 0 | 0 | 112 | Q491 A492 A497 K498 T499 | Q491-E495 PolarHBondContact O-N 2.89Å; A492-E495 PolarHBondContact O-N 2.93Å; E495-A497 PolarHBondContact O-N 2.8Å; E495-K498 WeakPolarHBondContact O-CB 3.25Å; E495-K498 PolarHBondContact O-N 3.34Å; E495-K498 VanDerWaalsContact O-N 3.12Å; E495-K498 IonicContact OE1-NZ 3.17Å; E495-K498 PolarHBondContact OE1-NZ 3.03Å; E495-K498 WeakPolarHBondContact OE2-CD 3.29Å; E495-K498 IonicContact OE2-NZ 3.51Å; E495-T499 PolarHBondContact O-N 2.89Å; E495-T499 PolarHBondContact O-OG1 3.37Å |
| 496 | S | 83.7 | Confident | 83.2 | Confident | 57 Ų | 57 | 93.8 Ų | 93.8 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 171.8 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | A492 K498 T499 E500 | A492-S496 PolarHBondContact O-N 2.96Å; S496-K498 VanDerWaalsContact C-N 3.29Å; S496-K498 PolarHBondContact O-N 2.67Å; S496-T499 WeakPolarHBondContact CA-OG1 3.41Å; S496-T499 PolarHBondContact O-N 3.47Å; S496-T499 VanDerWaalsContact O-N 3.16Å; S496-T499 PolarHBondContact O-OG1 2.71Å; S496-E500 WeakPolarHBondContact O-CG 3.33Å; S496-E500 PolarHBondContact O-N 2.89Å; S496-E500 PolarHBondContact OG-OE1 3.35Å |
| 497 | A | 80.8 | Confident | 82.7 | Confident | 44 Ų | 44 | 91.7 Ų | 91.7 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -32.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E493 E495 V501 | E493-A497 WeakPolarHBondContact O-CB 3.26Å; E493-A497 PolarHBondContact O-N 2.76Å; E495-A497 PolarHBondContact O-N 2.8Å; A497-V501 WeakPolarHBondContact O-CB 3.47Å; A497-V501 VanDerWaalsContact O-CG2 3.24Å; A497-V501 WeakPolarHBondContact O-CG2 3.41Å; A497-V501 PolarHBondContact O-N 2.94Å |
| 498 | K | 84.8 | Confident | 82.2 | Confident | 99 Ų | 99 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 172.7 | -77.2 | 158.9 | 174 | 151 | 0 | 112.2 | N494 E495 S496 K502 | N494-K498 WeakPolarHBondContact O-CD 3.41Å; N494-K498 WeakPolarHBondContact O-CG 3.46Å; N494-K498 PolarHBondContact O-N 2.85Å; N494-K498 VanDerWaalsContact O-N 3.08Å; N494-K498 WeakPolarHBondContact OD1-CE 3.46Å; N494-K498 PolarHBondContact OD1-NZ 3.17Å; E495-K498 WeakPolarHBondContact O-CB 3.25Å; E495-K498 PolarHBondContact O-N 3.34Å; E495-K498 VanDerWaalsContact O-N 3.12Å; E495-K498 IonicContact OE1-NZ 3.17Å; E495-K498 PolarHBondContact OE1-NZ 3.03Å; E495-K498 WeakPolarHBondContact OE2-CD 3.29Å; E495-K498 IonicContact OE2-NZ 3.51Å; S496-K498 VanDerWaalsContact C-N 3.29Å; S496-K498 PolarHBondContact O-N 2.67Å; K498-K502 WeakPolarHBondContact O-CB 3.42Å; K498-K502 PolarHBondContact O-N 3.39Å |
| 499 | T | 83.2 | Confident | 81.9 | Confident | 76 Ų | 76 | 97 Ų | 97 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 175.1 | 38.8 | 0 | 0 | 0 | 0 | 111.5 | E495 S496 V501 K502 E503 | E495-T499 PolarHBondContact O-N 2.89Å; E495-T499 PolarHBondContact O-OG1 3.37Å; S496-T499 WeakPolarHBondContact CA-OG1 3.41Å; S496-T499 PolarHBondContact O-N 3.47Å; S496-T499 VanDerWaalsContact O-N 3.16Å; S496-T499 PolarHBondContact O-OG1 2.71Å; T499-V501 PolarHBondContact O-N 3.4Å; T499-K502 WeakPolarHBondContact O-CB 3.29Å; T499-K502 PolarHBondContact O-N 2.93Å; T499-K502 VanDerWaalsContact O-N 3.12Å; T499-E503 WeakPolarHBondContact O-CG 3.12Å; T499-E503 PolarHBondContact O-N 3.47Å |
| 500 | E | 83.3 | Confident | 81.2 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 175 | -70.5 | 168.1 | -137.6 | 0 | 0 | 112 | S496 K502 E503 V504 | S496-E500 WeakPolarHBondContact O-CG 3.33Å; S496-E500 PolarHBondContact O-N 2.89Å; S496-E500 PolarHBondContact OG-OE1 3.35Å; E500-K502 VanDerWaalsContact C-N 3.31Å; E500-K502 PolarHBondContact O-N 3.48Å; E500-E503 PolarHBondContact O-N 2.76Å; E500-V504 WeakPolarHBondContact O-CG2 3.19Å; E500-V504 PolarHBondContact O-N 2.87Å |
| 501 | V | 83.3 | Confident | 80.8 | Confident | 89 Ų | 89 | 97.8 Ų | 97.8 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 176.4 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | A497 T499 L505 | A497-V501 WeakPolarHBondContact O-CB 3.47Å; A497-V501 VanDerWaalsContact O-CG2 3.24Å; A497-V501 WeakPolarHBondContact O-CG2 3.41Å; A497-V501 PolarHBondContact O-N 2.94Å; T499-V501 PolarHBondContact O-N 3.4Å; V501-L505 HydrophobicContact CG1-CD1 3.99Å; V501-L505 HydrophobicContact CG1-CG 4.49Å; V501-L505 WeakPolarHBondContact O-CB 3.43Å; V501-L505 VanDerWaalsContact O-CG 3.25Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 3.33Å |
| 502 | K | 80.6 | Confident | 80.2 | Confident | 150 Ų | 150 | 93.2 Ų | 93.2 | 65% | 0.652 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -44 | 176.5 | -173.8 | -173.1 | 174.4 | -166.8 | 0 | 111.7 | K498 T499 E500 L505 Q506 | K498-K502 WeakPolarHBondContact O-CB 3.42Å; K498-K502 PolarHBondContact O-N 3.39Å; T499-K502 WeakPolarHBondContact O-CB 3.29Å; T499-K502 PolarHBondContact O-N 2.93Å; T499-K502 VanDerWaalsContact O-N 3.12Å; E500-K502 VanDerWaalsContact C-N 3.31Å; E500-K502 PolarHBondContact O-N 3.48Å; K502-L505 PolarHBondContact O-N 2.84Å; K502-Q506 PolarHBondContact O-N 3.02Å |
| 503 | E | 82.8 | Confident | 79.8 | Confident | 135 Ų | 135 | 94.8 Ų | 94.8 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 176.2 | -71.4 | 175.3 | -170.7 | 0 | 0 | 111.7 | T499 E500 L505 Q506 A507 | T499-E503 WeakPolarHBondContact O-CG 3.12Å; T499-E503 PolarHBondContact O-N 3.47Å; E500-E503 PolarHBondContact O-N 2.76Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 3.38Å; E503-Q506 PolarHBondContact O-N 3.34Å; E503-A507 WeakPolarHBondContact O-CB 3.33Å; E503-A507 PolarHBondContact O-N 3.26Å |
| 504 | V | 79.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 95 Ų | 95 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 175.3 | 170 | 0 | 0 | 0 | 0 | 111.6 | E500 L508 | E500-V504 WeakPolarHBondContact O-CG2 3.19Å; E500-V504 PolarHBondContact O-N 2.87Å; V504-L508 HydrophobicContact CG1-CD1 4Å; V504-L508 WeakPolarHBondContact O-CB 3.29Å; V504-L508 VanDerWaalsContact O-CG 3.24Å; V504-L508 WeakPolarHBondContact O-CG 3.43Å; V504-L508 PolarHBondContact O-N 2.86Å |
| 505 | L | 77.1 | Confident | 79.2 | Confident | 108 Ų | 108 | 95.8 Ų | 95.8 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 175.7 | -76.5 | 169.2 | 0 | 0 | 0 | 112.2 | V501 K502 E503 L508 E509 | V501-L505 HydrophobicContact CG1-CD1 3.99Å; V501-L505 HydrophobicContact CG1-CG 4.49Å; V501-L505 WeakPolarHBondContact O-CB 3.43Å; V501-L505 VanDerWaalsContact O-CG 3.25Å; V501-L505 WeakPolarHBondContact O-CG 3.39Å; V501-L505 PolarHBondContact O-N 3.33Å; K502-L505 PolarHBondContact O-N 2.84Å; E503-L505 VanDerWaalsContact C-N 3.34Å; E503-L505 PolarHBondContact O-N 3.38Å; L505-L508 PolarHBondContact O-N 3.35Å; L505-E509 PolarHBondContact O-N 3.33Å |
| 506 | Q | 78.5 | Confident | 78.9 | Confident | 107 Ų | 107 | 94.8 Ų | 94.8 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.8 | -177.5 | 178.5 | -29.2 | 0 | 0 | 111.4 | K502 E503 L508 E509 E510 | K502-Q506 PolarHBondContact O-N 3.02Å; E503-Q506 PolarHBondContact O-N 3.34Å; Q506-L508 VanDerWaalsContact C-N 3.25Å; Q506-L508 PolarHBondContact O-N 2.89Å; Q506-E509 PolarHBondContact O-N 2.98Å; Q506-E509 VanDerWaalsContact O-N 3.08Å; Q506-E510 WeakPolarHBondContact CG-OE1 3.41Å; Q506-E510 PolarHBondContact NE2-OE1 3.45Å; Q506-E510 PolarHBondContact O-N 3.46Å |
| 507 | A | 75.3 | Confident | 78.6 | Confident | 56 Ų | 56 | 98 Ų | 98 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | E503 L511 | E503-A507 WeakPolarHBondContact O-CB 3.33Å; E503-A507 PolarHBondContact O-N 3.26Å; A507-L511 WeakPolarHBondContact O-CB 3.27Å; A507-L511 PolarHBondContact O-N 3.48Å |
| 508 | L | 73.2 | Confident | 78.4 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.1 | -33 | 173.8 | -74.1 | 169.1 | 0 | 0 | 0 | 113 | V504 L505 Q506 A512 | V504-L508 HydrophobicContact CG1-CD1 4Å; V504-L508 WeakPolarHBondContact O-CB 3.29Å; V504-L508 VanDerWaalsContact O-CG 3.24Å; V504-L508 WeakPolarHBondContact O-CG 3.43Å; V504-L508 PolarHBondContact O-N 2.86Å; L505-L508 PolarHBondContact O-N 3.35Å; Q506-L508 VanDerWaalsContact C-N 3.25Å; Q506-L508 PolarHBondContact O-N 2.89Å; L508-A512 WeakPolarHBondContact O-CB 3.4Å; L508-A512 PolarHBondContact O-N 3.47Å |
| 509 | E | 79.6 | Confident | 77.8 | Confident | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71 | -46.4 | 174.8 | -172.7 | 157.2 | -140.5 | 0 | 0 | 111.1 | L505 Q506 L511 A512 V513 | L505-E509 PolarHBondContact O-N 3.33Å; Q506-E509 PolarHBondContact O-N 2.98Å; Q506-E509 VanDerWaalsContact O-N 3.08Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.87Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3Å; E509-A512 VanDerWaalsContact O-N 3.12Å; E509-V513 WeakPolarHBondContact O-CG2 3.34Å; E509-V513 PolarHBondContact O-N 3.19Å |
| 510 | E | 77.1 | Confident | 77.7 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 172.1 | -70.5 | 176 | -157.5 | 0 | 0 | 111.8 | Q506 A512 V513 N514 | Q506-E510 WeakPolarHBondContact CG-OE1 3.41Å; Q506-E510 PolarHBondContact NE2-OE1 3.45Å; Q506-E510 PolarHBondContact O-N 3.46Å; E510-A512 VanDerWaalsContact C-N 3.34Å; E510-A512 PolarHBondContact O-N 2.95Å; E510-V513 PolarHBondContact O-N 3.34Å; E510-N514 WeakPolarHBondContact O-CB 2.92Å; E510-N514 PolarHBondContact O-N 2.97Å; E510-N514 PolarHBondContact O-ND2 3.19Å |
| 511 | L | 73.8 | Confident | 77.4 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -34.5 | 175.8 | -176 | 62.7 | 0 | 0 | 0 | 112.4 | A507 E509 F515 | A507-L511 WeakPolarHBondContact O-CB 3.27Å; A507-L511 PolarHBondContact O-N 3.48Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.87Å; L511-F515 WeakPolarHBondContact O-CB 3.43Å; L511-F515 PolarHBondContact O-N 3.06Å |
| 512 | A | 71.1 | Confident | 77.1 | Confident | 18 Ų | 18 | 98.2 Ų | 98.2 | 15% | 0.149 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L508 E509 E510 N514 F515 D516 | L508-A512 WeakPolarHBondContact O-CB 3.4Å; L508-A512 PolarHBondContact O-N 3.47Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3Å; E509-A512 VanDerWaalsContact O-N 3.12Å; E510-A512 VanDerWaalsContact C-N 3.34Å; E510-A512 PolarHBondContact O-N 2.95Å; A512-N514 VanDerWaalsContact C-N 3.33Å; A512-N514 PolarHBondContact O-N 3.5Å; A512-F515 WeakPolarHBondContact O-CB 3.41Å; A512-F515 PolarHBondContact O-N 3.37Å; A512-F515 VanDerWaalsContact O-N 3.13Å; A512-D516 PolarHBondContact O-N 3.02Å |
| 513 | V | 78.1 | Confident | 77.1 | Confident | 97 Ų | 97 | 97.7 Ų | 97.7 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | E509 E510 F515 D516 Q517 | E509-V513 WeakPolarHBondContact O-CG2 3.34Å; E509-V513 PolarHBondContact O-N 3.19Å; E510-V513 PolarHBondContact O-N 3.34Å; V513-F515 VanDerWaalsContact C-N 3.33Å; V513-F515 PolarHBondContact O-N 3.46Å; V513-D516 PolarHBondContact O-N 3.5Å; V513-Q517 WeakPolarHBondContact O-CB 3.37Å; V513-Q517 PolarHBondContact O-N 2.84Å |
| 514 | N | 70.8 | Confident | 77.1 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 174.7 | -83.4 | -74 | 0 | 0 | 0 | 112.8 | E510 A512 K518 | E510-N514 WeakPolarHBondContact O-CB 2.92Å; E510-N514 PolarHBondContact O-N 2.97Å; E510-N514 PolarHBondContact O-ND2 3.19Å; A512-N514 VanDerWaalsContact C-N 3.33Å; A512-N514 PolarHBondContact O-N 3.5Å; N514-K518 WeakPolarHBondContact O-CB 3.3Å; N514-K518 VanDerWaalsContact O-CG 3.24Å; N514-K518 WeakPolarHBondContact O-CG 2.86Å; N514-K518 PolarHBondContact O-N 3.17Å |
| 515 | F | 82.6 | Confident | 77.2 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 176.9 | 178.5 | -89.8 | 0 | 0 | 0 | 112.1 | L511 A512 V513 K518 S519 | L511-F515 WeakPolarHBondContact O-CB 3.43Å; L511-F515 PolarHBondContact O-N 3.06Å; A512-F515 WeakPolarHBondContact O-CB 3.41Å; A512-F515 PolarHBondContact O-N 3.37Å; A512-F515 VanDerWaalsContact O-N 3.13Å; V513-F515 VanDerWaalsContact C-N 3.33Å; V513-F515 PolarHBondContact O-N 3.46Å; F515-K518 PolarHBondContact O-N 2.92Å; F515-S519 PolarHBondContact O-N 2.84Å |
| 516 | D | 77.4 | Confident | 77.1 | Confident | 86 Ų | 86 | 92.8 Ų | 92.8 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | -178.8 | -69.5 | -23.5 | 0 | 0 | 0 | 111 | A512 V513 K518 S519 L520 | A512-D516 PolarHBondContact O-N 3.02Å; V513-D516 PolarHBondContact O-N 3.5Å; D516-K518 VanDerWaalsContact C-N 3.33Å; D516-K518 PolarHBondContact O-N 2.8Å; D516-S519 WeakPolarHBondContact O-CB 3.34Å; D516-S519 PolarHBondContact O-N 2.78Å; D516-S519 VanDerWaalsContact O-N 3.12Å; D516-L520 PolarHBondContact O-N 3.25Å |
| 517 | Q | 78.7 | Confident | 77.4 | Confident | 126 Ų | 126 | 94.2 Ų | 94.2 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60 | -40.3 | 172.5 | -173.8 | 63.9 | 12.5 | 0 | 0 | 112.2 | V513 L520 E521 | V513-Q517 WeakPolarHBondContact O-CB 3.37Å; V513-Q517 PolarHBondContact O-N 2.84Å; Q517-L520 PolarHBondContact O-N 2.78Å; Q517-E521 PolarHBondContact O-N 3.31Å; Q517-E521 VanDerWaalsContact O-N 3.11Å |
| 518 | K | 75.7 | Confident | 77.8 | Confident | 114 Ų | 114 | 94.3 Ų | 94.3 | 50% | 0.496 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.1 | -30.2 | 174.9 | -72.9 | -71.9 | 164 | -164.7 | 0 | 113 | N514 F515 D516 E521 V522 | N514-K518 WeakPolarHBondContact O-CB 3.3Å; N514-K518 VanDerWaalsContact O-CG 3.24Å; N514-K518 WeakPolarHBondContact O-CG 2.86Å; N514-K518 PolarHBondContact O-N 3.17Å; F515-K518 PolarHBondContact O-N 2.92Å; D516-K518 VanDerWaalsContact C-N 3.33Å; D516-K518 PolarHBondContact O-N 2.8Å; K518-E521 WeakPolarHBondContact CD-OE2 3.4Å; K518-E521 IonicContact NZ-OE2 3.82Å; K518-E521 PolarHBondContact NZ-OE2 3.24Å; K518-E521 PolarHBondContact O-N 2.99Å; K518-V522 WeakPolarHBondContact O-CB 3.26Å; K518-V522 VanDerWaalsContact O-CG2 3.29Å; K518-V522 WeakPolarHBondContact O-CG2 3.36Å; K518-V522 PolarHBondContact O-N 3.28Å |
| 519 | S | 73.3 | Confident | 77.7 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 173.3 | -164.4 | 0 | 0 | 0 | 0 | 111.3 | F515 D516 V522 E523 | F515-S519 PolarHBondContact O-N 2.84Å; D516-S519 WeakPolarHBondContact O-CB 3.34Å; D516-S519 PolarHBondContact O-N 2.78Å; D516-S519 VanDerWaalsContact O-N 3.12Å; S519-V522 PolarHBondContact O-N 3.42Å; S519-E523 PolarHBondContact O-N 3.12Å |
| 520 | L | 81 | Confident | 78 | Confident | 106 Ų | 106 | 93.6 Ų | 93.6 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.5 | -44.9 | 174.9 | -67.6 | 170.8 | 0 | 0 | 0 | 112.2 | D516 Q517 V522 E523 E524 | D516-L520 PolarHBondContact O-N 3.25Å; Q517-L520 PolarHBondContact O-N 2.78Å; L520-V522 VanDerWaalsContact C-N 3.27Å; L520-V522 PolarHBondContact O-N 3.29Å; L520-E523 PolarHBondContact O-N 3.01Å; L520-E523 VanDerWaalsContact O-N 3.14Å; L520-E524 PolarHBondContact O-N 3.14Å |
| 521 | E | 76.5 | Confident | 78.5 | Confident | 44 Ų | 44 | 92.5 Ų | 92.5 | 21% | 0.206 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 175.8 | -169.4 | -170.2 | 159 | 0 | 0 | 112.1 | Q517 K518 K525 | Q517-E521 PolarHBondContact O-N 3.31Å; Q517-E521 VanDerWaalsContact O-N 3.11Å; K518-E521 WeakPolarHBondContact CD-OE2 3.4Å; K518-E521 IonicContact NZ-OE2 3.82Å; K518-E521 PolarHBondContact NZ-OE2 3.24Å; K518-E521 PolarHBondContact O-N 2.99Å; E521-K525 HydrophobicContact CG-CD 4.29Å; E521-K525 WeakPolarHBondContact O-CB 3.49Å; E521-K525 VanDerWaalsContact O-CG 3.29Å; E521-K525 WeakPolarHBondContact O-CG 3.25Å; E521-K525 PolarHBondContact O-N 3.14Å; E521-K525 VanDerWaalsContact O-N 3.08Å; E521-K525 WeakPolarHBondContact OE1-CE 3.22Å; E521-K525 IonicContact OE1-NZ 2.75Å; E521-K525 PolarHBondContact OE1-NZ 3.06Å |
| 522 | V | 76.4 | Confident | 78.9 | Confident | 99 Ų | 99 | 91.7 Ų | 91.7 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 112 | K518 S519 L520 S526 | K518-V522 WeakPolarHBondContact O-CB 3.26Å; K518-V522 VanDerWaalsContact O-CG2 3.29Å; K518-V522 WeakPolarHBondContact O-CG2 3.36Å; K518-V522 PolarHBondContact O-N 3.28Å; S519-V522 PolarHBondContact O-N 3.42Å; L520-V522 VanDerWaalsContact C-N 3.27Å; L520-V522 PolarHBondContact O-N 3.29Å; V522-S526 WeakPolarHBondContact O-CB 3.42Å; V522-S526 PolarHBondContact O-N 3.29Å |
| 523 | E | 81.2 | Confident | 79.2 | Confident | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.4 | -40.3 | 178.3 | -170.7 | 151.4 | -130.8 | 0 | 0 | 112 | S519 L520 S526 M527 | S519-E523 PolarHBondContact O-N 3.12Å; L520-E523 PolarHBondContact O-N 3.01Å; L520-E523 VanDerWaalsContact O-N 3.14Å; E523-S526 WeakPolarHBondContact O-CB 3.47Å; E523-S526 PolarHBondContact O-N 3.13Å; E523-M527 PolarHBondContact O-N 2.78Å |
| 524 | E | 83.5 | Confident | 79.7 | Confident | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 172.6 | -163.3 | -161.2 | 155.6 | 0 | 0 | 111.3 | L520 S526 M527 Q528 | L520-E524 PolarHBondContact O-N 3.14Å; E524-S526 VanDerWaalsContact C-N 3.29Å; E524-S526 PolarHBondContact O-N 3.32Å; E524-M527 WeakPolarHBondContact O-CA 3.37Å; E524-M527 WeakPolarHBondContact O-CB 3.32Å; E524-M527 PolarHBondContact O-N 2.96Å; E524-Q528 WeakPolarHBondContact O-CG 3.37Å; E524-Q528 PolarHBondContact O-N 3.21Å; E524-Q528 PolarHBondContact OE1-NE2 3.4Å |
| 525 | K | 79.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 95.1 Ų | 95.1 | 30% | 0.296 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | 177 | -73.5 | 176.2 | 178.4 | -180 | 0 | 112.7 | E521 M527 Q528 N529 H775 | E521-K525 HydrophobicContact CG-CD 4.29Å; E521-K525 WeakPolarHBondContact O-CB 3.49Å; E521-K525 VanDerWaalsContact O-CG 3.29Å; E521-K525 WeakPolarHBondContact O-CG 3.25Å; E521-K525 PolarHBondContact O-N 3.14Å; E521-K525 VanDerWaalsContact O-N 3.08Å; E521-K525 WeakPolarHBondContact OE1-CE 3.22Å; E521-K525 IonicContact OE1-NZ 2.75Å; E521-K525 PolarHBondContact OE1-NZ 3.06Å; K525-M527 VanDerWaalsContact C-N 3.3Å; K525-M527 PolarHBondContact O-N 3.29Å; K525-Q528 PolarHBondContact O-N 3.03Å; K525-N529 VanDerWaalsContact O-CB 3.3Å; K525-N529 WeakPolarHBondContact O-CB 3.46Å; K525-N529 PolarHBondContact O-N 2.96Å; K525-N529 PolarHBondContact O-ND2 3.16Å; K525-H775 WeakPolarHBondContact CE-CE1 3.39Å |
| 526 | S | 75.4 | Confident | 80.3 | Confident | 55 Ų | 55 | 96 Ų | 96 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 171.4 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | V522 E523 E524 K530 | V522-S526 WeakPolarHBondContact O-CB 3.42Å; V522-S526 PolarHBondContact O-N 3.29Å; E523-S526 WeakPolarHBondContact O-CB 3.47Å; E523-S526 PolarHBondContact O-N 3.13Å; E524-S526 VanDerWaalsContact C-N 3.29Å; E524-S526 PolarHBondContact O-N 3.32Å; S526-K530 WeakPolarHBondContact O-CG 3.47Å; S526-K530 PolarHBondContact O-N 2.88Å |
| 527 | M | 85.5 | Confident | 80.7 | Confident | 137 Ų | 137 | 93.8 Ų | 93.8 | 68% | 0.675 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72 | -44.8 | 174.1 | -166.8 | 166 | 179.3 | 0 | 0 | 112.2 | E523 E524 K525 N529 K530 V531 | E523-M527 PolarHBondContact O-N 2.78Å; E524-M527 WeakPolarHBondContact O-CA 3.37Å; E524-M527 WeakPolarHBondContact O-CB 3.32Å; E524-M527 PolarHBondContact O-N 2.96Å; K525-M527 VanDerWaalsContact C-N 3.3Å; K525-M527 PolarHBondContact O-N 3.29Å; M527-N529 PolarHBondContact O-N 2.99Å; M527-K530 PolarHBondContact O-N 2.85Å; M527-V531 PolarHBondContact O-N 2.79Å |
| 528 | Q | 82.6 | Confident | 81.1 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 27% | 0.271 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 174.9 | -65.2 | 178.9 | 12.4 | 0 | 0 | 111.7 | E524 K525 K530 V531 L532 H775 | E524-Q528 WeakPolarHBondContact O-CG 3.37Å; E524-Q528 PolarHBondContact O-N 3.21Å; E524-Q528 PolarHBondContact OE1-NE2 3.4Å; K525-Q528 PolarHBondContact O-N 3.03Å; Q528-K530 VanDerWaalsContact C-N 3.31Å; Q528-K530 PolarHBondContact O-N 2.83Å; Q528-V531 PolarHBondContact O-N 2.75Å; Q528-V531 VanDerWaalsContact O-N 3.14Å; Q528-L532 PolarHBondContact O-N 3.2Å; Q528-H775 PolarHBondContact OE1-NE2 3.31Å |
| 529 | N | 71.3 | Confident | 81.6 | Confident | 97 Ų | 97 | 95.6 Ų | 95.6 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -29.9 | 178.2 | -82.1 | -23.9 | 0 | 0 | 0 | 113.7 | K525 M527 A533 | K525-N529 VanDerWaalsContact O-CB 3.3Å; K525-N529 WeakPolarHBondContact O-CB 3.46Å; K525-N529 PolarHBondContact O-N 2.96Å; K525-N529 PolarHBondContact O-ND2 3.16Å; M527-N529 PolarHBondContact O-N 2.99Å; N529-A533 VanDerWaalsContact O-CB 3.31Å; N529-A533 WeakPolarHBondContact O-CB 3.4Å; N529-A533 PolarHBondContact O-N 3.07Å |
| 530 | K | 85.4 | Confident | 81.9 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.2 | -43.9 | 172 | -71.7 | 163.9 | -169.7 | 167.4 | 0 | 111.5 | S526 M527 Q528 A533 E534 | S526-K530 WeakPolarHBondContact O-CG 3.47Å; S526-K530 PolarHBondContact O-N 2.88Å; M527-K530 PolarHBondContact O-N 2.85Å; Q528-K530 VanDerWaalsContact C-N 3.31Å; Q528-K530 PolarHBondContact O-N 2.83Å; K530-A533 PolarHBondContact O-N 2.81Å; K530-E534 PolarHBondContact O-N 3.35Å |
| 531 | V | 87.6 | Confident | 82.2 | Confident | 79 Ų | 79 | 95.8 Ų | 95.8 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | M527 Q528 A533 E534 E535 | M527-V531 PolarHBondContact O-N 2.79Å; Q528-V531 PolarHBondContact O-N 2.75Å; Q528-V531 VanDerWaalsContact O-N 3.14Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 2.97Å; V531-E534 WeakPolarHBondContact O-CB 3.02Å; V531-E534 PolarHBondContact O-N 3.09Å; V531-E535 PolarHBondContact O-N 2.84Å |
| 532 | L | 82.6 | Confident | 82.8 | Confident | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.3 | -69 | 172.5 | 0 | 0 | 0 | 112.6 | Q528 E535 L536 | Q528-L532 PolarHBondContact O-N 3.2Å; L532-E535 PolarHBondContact O-N 2.87Å; L532-L536 VanDerWaalsContact O-CB 3.32Å; L532-L536 WeakPolarHBondContact O-CB 3.22Å; L532-L536 PolarHBondContact O-N 2.99Å |
| 533 | A | 77.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | N529 K530 V531 G537 | N529-A533 VanDerWaalsContact O-CB 3.31Å; N529-A533 WeakPolarHBondContact O-CB 3.4Å; N529-A533 PolarHBondContact O-N 3.07Å; K530-A533 PolarHBondContact O-N 2.81Å; V531-A533 VanDerWaalsContact C-N 3.33Å; V531-A533 PolarHBondContact O-N 2.97Å; A533-G537 PolarHBondContact O-N 2.98Å |
| 534 | E | 88.9 | Confident | 83.4 | Confident | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 172.4 | -73.8 | -172.2 | -159.6 | 0 | 0 | 112.8 | K530 V531 G537 K538 | K530-E534 PolarHBondContact O-N 3.35Å; V531-E534 WeakPolarHBondContact O-CB 3.02Å; V531-E534 PolarHBondContact O-N 3.09Å; E534-G537 PolarHBondContact O-N 3.12Å; E534-K538 WeakPolarHBondContact O-CD 3.45Å; E534-K538 VanDerWaalsContact O-CG 3.25Å; E534-K538 WeakPolarHBondContact O-CG 3.19Å; E534-K538 PolarHBondContact O-N 2.75Å; E534-K538 IonicContact OE2-NZ 2.94Å; E534-K538 PolarHBondContact OE2-NZ 2.98Å |
| 535 | E | 85.8 | Confident | 83.6 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.3 | -68.8 | -157.8 | 153.2 | 0 | 0 | 112 | V531 L532 G537 K538 K539 | V531-E535 PolarHBondContact O-N 2.84Å; L532-E535 PolarHBondContact O-N 2.87Å; E535-G537 VanDerWaalsContact C-N 3.29Å; E535-G537 PolarHBondContact O-N 3.08Å; E535-K538 WeakPolarHBondContact O-CB 3.12Å; E535-K538 PolarHBondContact O-N 3.45Å; E535-K538 VanDerWaalsContact O-N 3.12Å; E535-K539 WeakPolarHBondContact O-CG 3.42Å; E535-K539 PolarHBondContact O-N 3.02Å |
| 536 | L | 80.2 | Confident | 84 | Confident | 123 Ų | 123 | 99.6 Ų | 99.6 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.8 | -40.3 | 173.2 | -175.6 | 61.6 | 0 | 0 | 0 | 111.2 | L532 K538 K539 M540 | L532-L536 VanDerWaalsContact O-CB 3.32Å; L532-L536 WeakPolarHBondContact O-CB 3.22Å; L532-L536 PolarHBondContact O-N 2.99Å; L536-K538 PolarHBondContact O-N 2.87Å; L536-K539 PolarHBondContact O-N 2.64Å; L536-M540 WeakPolarHBondContact O-CB 3.36Å; L536-M540 PolarHBondContact O-N 2.62Å |
| 537 | G | 85.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 102.3 Ų | 102.3 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A533 E534 E535 M540 S541 | A533-G537 PolarHBondContact O-N 2.98Å; E534-G537 PolarHBondContact O-N 3.12Å; E535-G537 VanDerWaalsContact C-N 3.29Å; E535-G537 PolarHBondContact O-N 3.08Å; G537-M540 PolarHBondContact O-N 2.76Å; G537-S541 PolarHBondContact O-N 3.45Å; G537-S541 VanDerWaalsContact O-N 3.07Å; G537-S541 PolarHBondContact O-OG 3.3Å |
| 538 | K | 88.4 | Confident | 84.4 | Confident | 121 Ų | 121 | 98.8 Ų | 98.8 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 175.1 | -66.1 | 157 | -163.5 | 158 | 0 | 111.9 | E534 E535 L536 S541 H542 | E534-K538 WeakPolarHBondContact O-CD 3.45Å; E534-K538 VanDerWaalsContact O-CG 3.25Å; E534-K538 WeakPolarHBondContact O-CG 3.19Å; E534-K538 PolarHBondContact O-N 2.75Å; E534-K538 IonicContact OE2-NZ 2.94Å; E534-K538 PolarHBondContact OE2-NZ 2.98Å; E535-K538 WeakPolarHBondContact O-CB 3.12Å; E535-K538 PolarHBondContact O-N 3.45Å; E535-K538 VanDerWaalsContact O-N 3.12Å; L536-K538 PolarHBondContact O-N 2.87Å; K538-S541 PolarHBondContact O-OG 3.01Å; K538-S541 VanDerWaalsContact O-OG 3.07Å; K538-H542 PolarHBondContact O-N 3.24Å |
| 539 | K | 84.6 | Confident | 84.7 | Confident | 157 Ų | 157 | 99.8 Ų | 99.8 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70.8 | -41.4 | 174.3 | -65.5 | -69.9 | -176.9 | 175.7 | 0 | 112 | E535 L536 H542 L543 | E535-K539 WeakPolarHBondContact O-CG 3.42Å; E535-K539 PolarHBondContact O-N 3.02Å; L536-K539 PolarHBondContact O-N 2.64Å; K539-H542 PolarHBondContact O-N 3.06Å; K539-L543 WeakPolarHBondContact O-CB 3.46Å; K539-L543 PolarHBondContact O-N 3.46Å |
| 540 | M | 79.9 | Confident | 85.2 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | -179.2 | -164.4 | -170.7 | -152.8 | 0 | 0 | 112.5 | L536 G537 R544 | L536-M540 WeakPolarHBondContact O-CB 3.36Å; L536-M540 PolarHBondContact O-N 2.62Å; G537-M540 PolarHBondContact O-N 2.76Å; M540-R544 WeakPolarHBondContact O-CG 3.22Å; M540-R544 PolarHBondContact O-N 3.27Å; M540-R544 VanDerWaalsContact O-N 3.07Å |
| 541 | S | 88.4 | Confident | 85.1 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | G537 K538 R544 A545 | G537-S541 PolarHBondContact O-N 3.45Å; G537-S541 VanDerWaalsContact O-N 3.07Å; G537-S541 PolarHBondContact O-OG 3.3Å; K538-S541 PolarHBondContact O-OG 3.01Å; K538-S541 VanDerWaalsContact O-OG 3.07Å; S541-R544 PolarHBondContact O-N 2.99Å; S541-A545 PolarHBondContact O-N 2.85Å |
| 542 | H | 88.3 | Confident | 85.2 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 173.8 | -163.1 | 82.9 | 0 | 0 | 0 | 112.2 | K538 K539 A545 L546 | K538-H542 PolarHBondContact O-N 3.24Å; K539-H542 PolarHBondContact O-N 3.06Å; H542-A545 WeakPolarHBondContact O-CB 3.35Å; H542-A545 PolarHBondContact O-N 3.39Å; H542-L546 PolarHBondContact O-N 3.38Å; H542-L546 VanDerWaalsContact O-N 3.14Å |
| 543 | L | 84.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 98.6 Ų | 98.6 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.7 | -172.5 | 149.6 | 0 | 0 | 0 | 111.4 | K539 A545 L546 E547 | K539-L543 WeakPolarHBondContact O-CB 3.46Å; K539-L543 PolarHBondContact O-N 3.46Å; L543-A545 VanDerWaalsContact C-N 3.26Å; L543-A545 PolarHBondContact O-N 3.31Å; L543-L546 WeakPolarHBondContact O-CB 3.49Å; L543-L546 PolarHBondContact O-N 3.36Å; L543-E547 VanDerWaalsContact CD2-CD 3.41Å; L543-E547 HydrophobicContact CD2-CG 3.9Å; L543-E547 WeakPolarHBondContact O-CG 3.4Å; L543-E547 PolarHBondContact O-N 2.72Å |
| 544 | R | 84.9 | Confident | 85.4 | Confident | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -33.8 | 174.6 | -74.2 | 172 | 178.2 | 160.5 | 1.2 | 113.6 | M540 S541 A548 | M540-R544 WeakPolarHBondContact O-CG 3.22Å; M540-R544 PolarHBondContact O-N 3.27Å; M540-R544 VanDerWaalsContact O-N 3.07Å; S541-R544 PolarHBondContact O-N 2.99Å; R544-A548 WeakPolarHBondContact O-CB 3Å; R544-A548 PolarHBondContact O-N 3.2Å |
| 545 | A | 89.3 | Confident | 85.2 | Confident | 61 Ų | 61 | 100.8 Ų | 100.8 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S541 H542 L543 E549 | S541-A545 PolarHBondContact O-N 2.85Å; H542-A545 WeakPolarHBondContact O-CB 3.35Å; H542-A545 PolarHBondContact O-N 3.39Å; L543-A545 VanDerWaalsContact C-N 3.26Å; L543-A545 PolarHBondContact O-N 3.31Å; A545-E549 PolarHBondContact O-N 2.9Å |
| 546 | L | 86.6 | Confident | 85.2 | Confident | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.6 | -38.8 | 174 | -66.5 | 169.8 | 0 | 0 | 0 | 112.2 | H542 L543 E549 L550 | H542-L546 PolarHBondContact O-N 3.38Å; H542-L546 VanDerWaalsContact O-N 3.14Å; L543-L546 WeakPolarHBondContact O-CB 3.49Å; L543-L546 PolarHBondContact O-N 3.36Å; L546-E549 PolarHBondContact O-N 3.18Å; L546-L550 WeakPolarHBondContact O-CB 3.41Å; L546-L550 PolarHBondContact O-N 2.89Å |
| 547 | E | 82.4 | Confident | 85.1 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 173.2 | -71 | 177.1 | 138 | 0 | 0 | 112 | L543 L550 S551 | L543-E547 VanDerWaalsContact CD2-CD 3.41Å; L543-E547 HydrophobicContact CD2-CG 3.9Å; L543-E547 WeakPolarHBondContact O-CG 3.4Å; L543-E547 PolarHBondContact O-N 2.72Å; E547-L550 PolarHBondContact O-N 3.4Å; E547-S551 WeakPolarHBondContact O-CB 3.29Å; E547-S551 PolarHBondContact O-N 2.7Å |
| 548 | A | 88.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 95.1 Ų | 95.1 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | R544 S551 R552 | R544-A548 WeakPolarHBondContact O-CB 3Å; R544-A548 PolarHBondContact O-N 3.2Å; A548-S551 PolarHBondContact O-N 2.84Å; A548-R552 PolarHBondContact O-N 3.36Å |
| 549 | E | 88.9 | Confident | 84.2 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 176.6 | -178.1 | 59.6 | -168.3 | 0 | 0 | 112.1 | A545 L546 R552 I553 | A545-E549 PolarHBondContact O-N 2.9Å; L546-E549 PolarHBondContact O-N 3.18Å; E549-R552 WeakPolarHBondContact O-CB 3.46Å; E549-R552 PolarHBondContact O-N 2.98Å; E549-R552 IonicContact OE1-CZ 2.74Å; E549-R552 IonicContact OE1-NE 3.7Å; E549-R552 PolarHBondContact OE1-NE 3.42Å; E549-R552 IonicContact OE1-NH2 2.75Å; E549-R552 PolarHBondContact OE1-NH2 2.81Å; E549-R552 IonicContact OE2-CZ 4Å; E549-R552 IonicContact OE2-NE 3.64Å; E549-R552 PolarHBondContact OE2-NE 2.94Å; E549-R552 IonicContact OE2-NH2 2.78Å; E549-R552 PolarHBondContact OE2-NH2 3Å; E549-I553 HydrophobicContact CG-CD1 4.16Å; E549-I553 VanDerWaalsContact O-CG1 3.31Å; E549-I553 WeakPolarHBondContact O-CG1 3.49Å; E549-I553 PolarHBondContact O-N 2.78Å |
| 550 | L | 81.1 | Confident | 83.9 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 172.7 | 179.6 | 62.8 | 0 | 0 | 0 | 111.4 | L546 E547 I553 Q554 | L546-L550 WeakPolarHBondContact O-CB 3.41Å; L546-L550 PolarHBondContact O-N 2.89Å; E547-L550 PolarHBondContact O-N 3.4Å; L550-I553 PolarHBondContact O-N 2.94Å; L550-Q554 WeakPolarHBondContact O-CG 3.36Å; L550-Q554 PolarHBondContact O-N 2.78Å |
| 551 | S | 83.2 | Confident | 83.6 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 174.9 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | E547 A548 I553 Q554 E555 | E547-S551 WeakPolarHBondContact O-CB 3.29Å; E547-S551 PolarHBondContact O-N 2.7Å; A548-S551 PolarHBondContact O-N 2.84Å; S551-I553 VanDerWaalsContact C-N 3.3Å; S551-I553 PolarHBondContact O-N 2.83Å; S551-Q554 WeakPolarHBondContact O-CB 3.28Å; S551-Q554 PolarHBondContact O-N 3.18Å; S551-E555 PolarHBondContact O-N 3.08Å |
| 552 | R | 90.3 | Very high | 83 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 176 | -160.8 | -174.4 | 71.2 | 78.4 | 2.5 | 112.5 | A548 E549 V556 | A548-R552 PolarHBondContact O-N 3.36Å; E549-R552 WeakPolarHBondContact O-CB 3.46Å; E549-R552 PolarHBondContact O-N 2.98Å; E549-R552 IonicContact OE1-CZ 2.74Å; E549-R552 IonicContact OE1-NE 3.7Å; E549-R552 PolarHBondContact OE1-NE 3.42Å; E549-R552 IonicContact OE1-NH2 2.75Å; E549-R552 PolarHBondContact OE1-NH2 2.81Å; E549-R552 IonicContact OE2-CZ 4Å; E549-R552 IonicContact OE2-NE 3.64Å; E549-R552 PolarHBondContact OE2-NE 2.94Å; E549-R552 IonicContact OE2-NH2 2.78Å; E549-R552 PolarHBondContact OE2-NH2 3Å; R552-V556 WeakPolarHBondContact O-CG2 3.32Å; R552-V556 PolarHBondContact O-N 3.44Å; R552-V556 VanDerWaalsContact O-N 3.16Å |
| 553 | I | 84.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 100.8 Ų | 100.8 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -40.7 | 174.6 | -69.1 | 165 | 0 | 0 | 0 | 111.3 | E549 L550 S551 V556 S557 | E549-I553 HydrophobicContact CG-CD1 4.16Å; E549-I553 VanDerWaalsContact O-CG1 3.31Å; E549-I553 WeakPolarHBondContact O-CG1 3.49Å; E549-I553 PolarHBondContact O-N 2.78Å; L550-I553 PolarHBondContact O-N 2.94Å; S551-I553 VanDerWaalsContact C-N 3.3Å; S551-I553 PolarHBondContact O-N 2.83Å; I553-V556 PolarHBondContact O-N 2.93Å; I553-S557 WeakPolarHBondContact O-CB 3.48Å; I553-S557 PolarHBondContact O-N 3.27Å |
| 554 | Q | 79.1 | Confident | 82.2 | Confident | 112 Ų | 112 | 101.3 Ų | 101.3 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 175.8 | -71.5 | -176 | 21.3 | 0 | 0 | 112.3 | L550 S551 S557 S558 | L550-Q554 WeakPolarHBondContact O-CG 3.36Å; L550-Q554 PolarHBondContact O-N 2.78Å; S551-Q554 WeakPolarHBondContact O-CB 3.28Å; S551-Q554 PolarHBondContact O-N 3.18Å; Q554-S557 WeakPolarHBondContact O-CB 3.25Å; Q554-S557 PolarHBondContact O-N 2.98Å; Q554-S558 WeakPolarHBondContact O-CB 3.44Å; Q554-S558 PolarHBondContact O-N 2.92Å |
| 555 | E | 85.1 | Confident | 81.6 | Confident | 115 Ų | 115 | 96.4 Ų | 96.4 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 174.1 | -75.6 | -175.5 | 178.2 | 0 | 0 | 111.5 | S551 S557 S558 H559 | S551-E555 PolarHBondContact O-N 3.08Å; E555-S557 VanDerWaalsContact C-N 3.34Å; E555-S557 PolarHBondContact O-N 3.35Å; E555-S558 PolarHBondContact O-N 3.21Å; E555-S558 VanDerWaalsContact O-N 3.13Å; E555-S558 PolarHBondContact O-OG 2.81Å; E555-H559 PolarHBondContact O-N 3.47Å; E555-H559 PolarHBondContact O-ND1 3.46Å |
| 556 | V | 86 | Confident | 81.2 | Confident | 70 Ų | 70 | 99.5 Ų | 99.5 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | R552 I553 S558 H559 Q560 | R552-V556 WeakPolarHBondContact O-CG2 3.32Å; R552-V556 PolarHBondContact O-N 3.44Å; R552-V556 VanDerWaalsContact O-N 3.16Å; I553-V556 PolarHBondContact O-N 2.93Å; V556-S558 VanDerWaalsContact C-N 3.31Å; V556-S558 PolarHBondContact O-N 3.49Å; V556-H559 PolarHBondContact O-N 2.93Å; V556-Q560 WeakPolarHBondContact O-CG 3.35Å; V556-Q560 PolarHBondContact O-N 2.93Å |
| 557 | S | 76.3 | Confident | 80.8 | Confident | 40 Ų | 40 | 98.6 Ų | 98.6 | 28% | 0.28 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 173.9 | 171.3 | 0 | 0 | 0 | 0 | 112.8 | I553 Q554 E555 R561 | I553-S557 WeakPolarHBondContact O-CB 3.48Å; I553-S557 PolarHBondContact O-N 3.27Å; Q554-S557 WeakPolarHBondContact O-CB 3.25Å; Q554-S557 PolarHBondContact O-N 2.98Å; E555-S557 VanDerWaalsContact C-N 3.34Å; E555-S557 PolarHBondContact O-N 3.35Å; S557-R561 WeakPolarHBondContact O-CB 3.39Å; S557-R561 WeakPolarHBondContact O-CG 3.23Å; S557-R561 PolarHBondContact O-N 2.89Å; S557-R561 PolarHBondContact O-NE 3.48Å; S557-R561 PolarHBondContact OG-NE 3.44Å; S557-R561 PolarHBondContact OG-NH2 3.21Å |
| 558 | S | 72.9 | Confident | 80.1 | Confident | 40 Ų | 40 | 98 Ų | 98 | 28% | 0.28 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.6 | 83.9 | 0 | 0 | 0 | 0 | 111.8 | Q554 E555 V556 R561 K562 | Q554-S558 WeakPolarHBondContact O-CB 3.44Å; Q554-S558 PolarHBondContact O-N 2.92Å; E555-S558 PolarHBondContact O-N 3.21Å; E555-S558 VanDerWaalsContact O-N 3.13Å; E555-S558 PolarHBondContact O-OG 2.81Å; V556-S558 VanDerWaalsContact C-N 3.31Å; V556-S558 PolarHBondContact O-N 3.49Å; S558-R561 PolarHBondContact O-N 3.31Å; S558-K562 WeakPolarHBondContact O-CG 3.42Å; S558-K562 PolarHBondContact O-N 3.02Å |
| 559 | H | 82.2 | Confident | 79.3 | Confident | 117 Ų | 117 | 100 Ų | 100 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.7 | -74.2 | 90.9 | 0 | 0 | 0 | 111.9 | E555 V556 K562 R563 | E555-H559 PolarHBondContact O-N 3.47Å; E555-H559 PolarHBondContact O-ND1 3.46Å; V556-H559 PolarHBondContact O-N 2.93Å; H559-K562 PolarHBondContact O-N 3.43Å; H559-R563 WeakPolarHBondContact O-CB 3.33Å; H559-R563 PolarHBondContact O-N 2.78Å |
| 560 | Q | 78.8 | Confident | 78.7 | Confident | 119 Ų | 119 | 97 Ų | 97 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 172.6 | -72.4 | 177.5 | 1 | 0 | 0 | 111.6 | V556 R563 I564 | V556-Q560 WeakPolarHBondContact O-CG 3.35Å; V556-Q560 PolarHBondContact O-N 2.93Å; Q560-R563 PolarHBondContact O-N 2.97Å; Q560-I564 WeakPolarHBondContact O-CD1 3.36Å; Q560-I564 VanDerWaalsContact O-CG1 3.31Å; Q560-I564 WeakPolarHBondContact O-CG1 3.35Å; Q560-I564 PolarHBondContact O-N 3.03Å |
| 561 | R | 73.6 | Confident | 78.3 | Confident | 157 Ų | 157 | 97 Ų | 97 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 177 | -79.4 | 178.7 | -79.5 | 170.2 | -5.5 | 113 | S557 S558 I564 A565 | S557-R561 WeakPolarHBondContact O-CB 3.39Å; S557-R561 WeakPolarHBondContact O-CG 3.23Å; S557-R561 PolarHBondContact O-N 2.89Å; S557-R561 PolarHBondContact O-NE 3.48Å; S557-R561 PolarHBondContact OG-NE 3.44Å; S557-R561 PolarHBondContact OG-NH2 3.21Å; S558-R561 PolarHBondContact O-N 3.31Å; R561-I564 PolarHBondContact O-N 2.86Å; R561-A565 PolarHBondContact O-N 3.17Å |
| 562 | K | 75.8 | Confident | 77.7 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 53% | 0.526 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57 | -51.6 | 172.7 | -74.6 | 175.7 | -179.4 | 175.6 | 0 | 111.3 | S558 H559 I564 A565 E566 | S558-K562 WeakPolarHBondContact O-CG 3.42Å; S558-K562 PolarHBondContact O-N 3.02Å; H559-K562 PolarHBondContact O-N 3.43Å; K562-I564 VanDerWaalsContact C-N 3.33Å; K562-I564 PolarHBondContact O-N 3.24Å; K562-A565 WeakPolarHBondContact O-CB 3.4Å; K562-A565 PolarHBondContact O-N 3.03Å; K562-A565 VanDerWaalsContact O-N 3.07Å; K562-E566 WeakPolarHBondContact O-CG 3.36Å; K562-E566 PolarHBondContact O-N 2.93Å |
| 563 | R | 80.8 | Confident | 76.9 | Confident | 184 Ų | 184 | 100.1 Ų | 100.1 | 69% | 0.694 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -35.7 | -179.4 | -167.6 | 176.4 | -178.5 | -175.7 | 1.3 | 113.3 | H559 Q560 V567 | H559-R563 WeakPolarHBondContact O-CB 3.33Å; H559-R563 PolarHBondContact O-N 2.78Å; Q560-R563 PolarHBondContact O-N 2.97Å; R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.13Å; R563-V567 VanDerWaalsContact O-N 3.13Å |
| 564 | I | 74.9 | Confident | 76.4 | Confident | 104 Ų | 104 | 100 Ų | 100 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 172.6 | -72.2 | 160.2 | 0 | 0 | 0 | 110.7 | Q560 R561 K562 V567 L568 | Q560-I564 WeakPolarHBondContact O-CD1 3.36Å; Q560-I564 VanDerWaalsContact O-CG1 3.31Å; Q560-I564 WeakPolarHBondContact O-CG1 3.35Å; Q560-I564 PolarHBondContact O-N 3.03Å; R561-I564 PolarHBondContact O-N 2.86Å; K562-I564 VanDerWaalsContact C-N 3.33Å; K562-I564 PolarHBondContact O-N 3.24Å; I564-V567 PolarHBondContact O-N 3.28Å; I564-L568 HydrophobicContact CG2-CD1 4.47Å; I564-L568 PolarHBondContact O-N 3.16Å |
| 565 | A | 72.3 | Confident | 75.9 | Confident | 43 Ų | 43 | 99.8 Ų | 99.8 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R561 K562 L568 N569 | R561-A565 PolarHBondContact O-N 3.17Å; K562-A565 WeakPolarHBondContact O-CB 3.4Å; K562-A565 PolarHBondContact O-N 3.03Å; K562-A565 VanDerWaalsContact O-N 3.07Å; A565-L568 PolarHBondContact O-N 2.97Å; A565-N569 VanDerWaalsContact O-CB 3.32Å; A565-N569 WeakPolarHBondContact O-CB 3.47Å; A565-N569 VanDerWaalsContact O-CG 3.28Å; A565-N569 PolarHBondContact O-N 2.94Å; A565-N569 PolarHBondContact O-ND2 3.31Å |
| 566 | E | 82.5 | Confident | 74.8 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 172.8 | -73.4 | 158.5 | -166.3 | 0 | 0 | 111.6 | K562 N569 G570 | K562-E566 WeakPolarHBondContact O-CG 3.36Å; K562-E566 PolarHBondContact O-N 2.93Å; E566-N569 PolarHBondContact O-N 3.29Å; E566-G570 PolarHBondContact O-N 3.44Å |
| 567 | V | 76.6 | Confident | 74 | Confident | 89 Ų | 89 | 105.2 Ų | 105.2 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | R563 I564 G570 L571 | R563-V567 WeakPolarHBondContact O-CG2 3.42Å; R563-V567 PolarHBondContact O-N 3.13Å; R563-V567 VanDerWaalsContact O-N 3.13Å; I564-V567 PolarHBondContact O-N 3.28Å; V567-G570 PolarHBondContact O-N 2.95Å; V567-L571 HydrophobicContact CG1-CD1 4.11Å; V567-L571 WeakPolarHBondContact O-CG 3.22Å; V567-L571 PolarHBondContact O-N 3.35Å |
| 568 | L | 67.7 | Low | 73.1 | Confident | 99 Ų | 99 | 109.6 Ų | 109.6 | 52% | 0.518 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 176 | -109.3 | 161.8 | 0 | 0 | 0 | 112.3 | I564 A565 G570 L571 M572 | I564-L568 HydrophobicContact CG2-CD1 4.47Å; I564-L568 PolarHBondContact O-N 3.16Å; A565-L568 PolarHBondContact O-N 2.97Å; L568-G570 VanDerWaalsContact C-N 3.29Å; L568-G570 PolarHBondContact O-N 2.97Å; L568-L571 PolarHBondContact O-N 3.12Å; L568-M572 WeakPolarHBondContact O-CB 3.26Å; L568-M572 VanDerWaalsContact O-CG 3.29Å; L568-M572 WeakPolarHBondContact O-CG 3.44Å; L568-M572 PolarHBondContact O-N 3.42Å |
| 569 | N | 72.1 | Confident | 71.9 | Confident | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.7 | -21.9 | 175.8 | -72.8 | -42.1 | 0 | 0 | 0 | 113.1 | A565 E566 R573 | A565-N569 VanDerWaalsContact O-CB 3.32Å; A565-N569 WeakPolarHBondContact O-CB 3.47Å; A565-N569 VanDerWaalsContact O-CG 3.28Å; A565-N569 PolarHBondContact O-N 2.94Å; A565-N569 PolarHBondContact O-ND2 3.31Å; E566-N569 PolarHBondContact O-N 3.29Å; N569-R573 WeakPolarHBondContact O-CB 3.44Å; N569-R573 PolarHBondContact O-N 3.42Å |
| 570 | G | 76.4 | Confident | 70.7 | Confident | 17 Ų | 17 | 110.4 Ų | 110.4 | 18% | 0.175 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -65.7 | -62.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E566 V567 L568 M572 R573 D574 | E566-G570 PolarHBondContact O-N 3.44Å; V567-G570 PolarHBondContact O-N 2.95Å; L568-G570 VanDerWaalsContact C-N 3.29Å; L568-G570 PolarHBondContact O-N 2.97Å; G570-M572 VanDerWaalsContact C-N 3.25Å; G570-M572 PolarHBondContact O-N 2.97Å; G570-M572 VanDerWaalsContact O-N 3.14Å; G570-R573 WeakPolarHBondContact O-CA 3.48Å; G570-R573 VanDerWaalsContact O-CB 3.23Å; G570-R573 WeakPolarHBondContact O-CB 3.48Å; G570-R573 PolarHBondContact O-N 3.01Å; G570-D574 VanDerWaalsContact O-CG 3.25Å; G570-D574 PolarHBondContact O-N 3.07Å; G570-D574 VanDerWaalsContact O-OD1 3.1Å |
| 571 | L | 73.9 | Confident | 69.9 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -55.1 | -37.5 | -179.1 | -67 | 168.2 | 0 | 0 | 0 | 113.3 | V567 L568 R573 L575 | V567-L571 HydrophobicContact CG1-CD1 4.11Å; V567-L571 WeakPolarHBondContact O-CG 3.22Å; V567-L571 PolarHBondContact O-N 3.35Å; L568-L571 PolarHBondContact O-N 3.12Å; L571-R573 VanDerWaalsContact C-N 3.3Å; L571-R573 PolarHBondContact O-N 3.07Å; L571-L575 WeakPolarHBondContact O-CB 3.49Å; L571-L575 WeakPolarHBondContact O-CD1 3.48Å; L571-L575 VanDerWaalsContact O-CG 3.29Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 2.62Å |
| 572 | M | 68.6 | Low | 69.1 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 52% | 0.522 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.2 | -20.5 | 175.4 | -72.8 | -62.1 | -61.9 | 0 | 0 | 114.2 | L568 G570 L575 R576 | L568-M572 WeakPolarHBondContact O-CB 3.26Å; L568-M572 VanDerWaalsContact O-CG 3.29Å; L568-M572 WeakPolarHBondContact O-CG 3.44Å; L568-M572 PolarHBondContact O-N 3.42Å; G570-M572 VanDerWaalsContact C-N 3.25Å; G570-M572 PolarHBondContact O-N 2.97Å; G570-M572 VanDerWaalsContact O-N 3.14Å; M572-L575 HydrophobicContact SD-CD1 4.32Å; M572-R576 WeakPolarHBondContact O-CG 3.39Å; M572-R576 PolarHBondContact O-N 3.22Å |
| 573 | R | 74.9 | Confident | 67.8 | Low | 148 Ų | 148 | 104.8 Ų | 104.8 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -82.5 | -47.5 | 171.5 | -171.5 | -163.2 | -40.3 | -169.7 | 7.3 | 110.3 | N569 G570 L571 L575 R576 E577 | N569-R573 WeakPolarHBondContact O-CB 3.44Å; N569-R573 PolarHBondContact O-N 3.42Å; G570-R573 WeakPolarHBondContact O-CA 3.48Å; G570-R573 VanDerWaalsContact O-CB 3.23Å; G570-R573 WeakPolarHBondContact O-CB 3.48Å; G570-R573 PolarHBondContact O-N 3.01Å; L571-R573 VanDerWaalsContact C-N 3.3Å; L571-R573 PolarHBondContact O-N 3.07Å; R573-L575 PolarHBondContact O-N 2.61Å; R573-R576 WeakPolarHBondContact O-CA 3.44Å; R573-R576 WeakPolarHBondContact O-CB 3.14Å; R573-R576 PolarHBondContact O-N 2.97Å; R573-E577 PolarHBondContact O-N 3.44Å |
| 574 | D | 74.1 | Confident | 66.1 | Low | 89 Ų | 89 | 100.6 Ų | 100.6 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -54.6 | -42.4 | 175.2 | -51.7 | -11 | 0 | 0 | 0 | 110.3 | G570 E577 F578 | G570-D574 VanDerWaalsContact O-CG 3.25Å; G570-D574 PolarHBondContact O-N 3.07Å; G570-D574 VanDerWaalsContact O-OD1 3.1Å; D574-E577 PolarHBondContact O-N 3.03Å; D574-F578 VanDerWaalsContact O-CB 3.29Å; D574-F578 WeakPolarHBondContact O-CB 3.34Å; D574-F578 PolarHBondContact O-N 3.19Å |
| 575 | L | 68.1 | Low | 64.8 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 57% | 0.571 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.6 | -32.2 | 173.6 | -79.5 | 166 | 0 | 0 | 0 | 114.1 | L571 M572 R573 S579 | L571-L575 WeakPolarHBondContact O-CB 3.49Å; L571-L575 WeakPolarHBondContact O-CD1 3.48Å; L571-L575 VanDerWaalsContact O-CG 3.29Å; L571-L575 WeakPolarHBondContact O-CG 3.48Å; L571-L575 PolarHBondContact O-N 2.62Å; M572-L575 HydrophobicContact SD-CD1 4.32Å; R573-L575 PolarHBondContact O-N 2.61Å; L575-S579 WeakPolarHBondContact O-CB 3.24Å; L575-S579 PolarHBondContact O-N 3.46Å |
| 576 | R | 62.2 | Low | 63 | Low | 192 Ų | 192 | 112.1 Ų | 112.1 | 73% | 0.725 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.1 | -44.3 | 173.5 | -81.5 | 179.9 | 175.5 | -167.3 | 0.1 | 111.4 | M572 R573 F578 S579 T580 | M572-R576 WeakPolarHBondContact O-CG 3.39Å; M572-R576 PolarHBondContact O-N 3.22Å; R573-R576 WeakPolarHBondContact O-CA 3.44Å; R573-R576 WeakPolarHBondContact O-CB 3.14Å; R573-R576 PolarHBondContact O-N 2.97Å; R576-F578 VanDerWaalsContact C-N 3.34Å; R576-S579 WeakPolarHBondContact O-CB 3.4Å; R576-S579 PolarHBondContact O-N 3Å; R576-S579 VanDerWaalsContact O-N 3.11Å; R576-T580 PolarHBondContact O-N 2.99Å; R576-T580 PolarHBondContact O-OG1 3.45Å |
| 577 | E | 69.1 | Low | 61.3 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -45 | 176.9 | -71 | 174.4 | -160.2 | 0 | 0 | 110.2 | R573 D574 S579 T580 I581 | R573-E577 PolarHBondContact O-N 3.44Å; D574-E577 PolarHBondContact O-N 3.03Å; E577-S579 VanDerWaalsContact C-N 3.33Å; E577-S579 PolarHBondContact O-N 3.26Å; E577-T580 WeakPolarHBondContact CA-OG1 3.38Å; E577-T580 PolarHBondContact O-N 3.15Å; E577-T580 VanDerWaalsContact O-N 3.16Å; E577-T580 PolarHBondContact O-OG1 3.34Å; E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.13Å |
| 578 | F | 57 | Low | 59.4 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.8 | -42.9 | 170.6 | -166.2 | -94 | 0 | 0 | 0 | 112.4 | D574 R576 T580 I581 V582 | D574-F578 VanDerWaalsContact O-CB 3.29Å; D574-F578 WeakPolarHBondContact O-CB 3.34Å; D574-F578 PolarHBondContact O-N 3.19Å; R576-F578 VanDerWaalsContact C-N 3.34Å; F578-T580 PolarHBondContact O-N 3.41Å; F578-I581 PolarHBondContact O-N 2.97Å; F578-V582 HydrophobicContact CD1-CG2 3.99Å; F578-V582 HydrophobicContact CE1-CG2 3.72Å; F578-V582 HydrophobicContact CZ-CG2 4.03Å; F578-V582 WeakPolarHBondContact O-CB 3.35Å; F578-V582 WeakPolarHBondContact O-CG2 3.37Å; F578-V582 PolarHBondContact O-N 3Å |
| 579 | S | 49 | Very low | 58.2 | Low | 81 Ų | 81 | 119.8 Ų | 119.8 | 57% | 0.566 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.5 | -36.9 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | L575 R576 E577 G583 | L575-S579 WeakPolarHBondContact O-CB 3.24Å; L575-S579 PolarHBondContact O-N 3.46Å; R576-S579 WeakPolarHBondContact O-CB 3.4Å; R576-S579 PolarHBondContact O-N 3Å; R576-S579 VanDerWaalsContact O-N 3.11Å; E577-S579 VanDerWaalsContact C-N 3.33Å; E577-S579 PolarHBondContact O-N 3.26Å; S579-G583 PolarHBondContact O-N 3.41Å |
| 580 | T | 56.9 | Low | 56.8 | Low | 93 Ų | 93 | 120.1 Ų | 120.1 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.6 | -35.1 | 175.4 | 40.4 | 0 | 0 | 0 | 0 | 113.1 | R576 E577 F578 S584 | R576-T580 PolarHBondContact O-N 2.99Å; R576-T580 PolarHBondContact O-OG1 3.45Å; E577-T580 WeakPolarHBondContact CA-OG1 3.38Å; E577-T580 PolarHBondContact O-N 3.15Å; E577-T580 VanDerWaalsContact O-N 3.16Å; E577-T580 PolarHBondContact O-OG1 3.34Å; F578-T580 PolarHBondContact O-N 3.41Å; T580-S584 PolarHBondContact O-OG 3Å |
| 581 | I | 60.7 | Low | 55.3 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 64% | 0.641 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.9 | -47.4 | 175.1 | -68.3 | 163.3 | 0 | 0 | 0 | 110.1 | E577 F578 S584 | E577-I581 VanDerWaalsContact O-CG1 3.3Å; E577-I581 WeakPolarHBondContact O-CG1 3.49Å; E577-I581 PolarHBondContact O-N 3.13Å; F578-I581 PolarHBondContact O-N 2.97Å; I581-S584 PolarHBondContact O-N 2.91Å |
| 582 | V | 57 | Low | 54 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 56% | 0.558 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.1 | -28 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 113 | F578 S584 | F578-V582 HydrophobicContact CD1-CG2 3.99Å; F578-V582 HydrophobicContact CE1-CG2 3.72Å; F578-V582 HydrophobicContact CZ-CG2 4.03Å; F578-V582 WeakPolarHBondContact O-CB 3.35Å; F578-V582 WeakPolarHBondContact O-CG2 3.37Å; F578-V582 PolarHBondContact O-N 3Å; V582-S584 VanDerWaalsContact C-N 3.25Å; V582-S584 PolarHBondContact O-N 3.19Å |
| 583 | G | 48.9 | Very low | 52.8 | Low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.2 | -17.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S579 R585 | S579-G583 PolarHBondContact O-N 3.41Å; G583-R585 PolarHBondContact O-N 3.34Å |
| 584 | S | 44.4 | Very low | 51.7 | Low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -100 | 79.6 | -170.6 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | T580 I581 V582 | T580-S584 PolarHBondContact O-OG 3Å; I581-S584 PolarHBondContact O-N 2.91Å; V582-S584 VanDerWaalsContact C-N 3.25Å; V582-S584 PolarHBondContact O-N 3.19Å |
| 585 | R | 47.8 | Very low | 50.6 | Low | 237 Ų | 237 | 127.1 Ų | 127.1 | 89% | 0.894 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 122.4 | -178.7 | -73.2 | -176.5 | 173.7 | -174.7 | -1.9 | 113.7 | G583 | G583-R585 PolarHBondContact O-N 3.34Š| ||
| 586 | E | 34.8 | Very low | 49.8 | Very low | 153 Ų | 153 | 124 Ų | 124 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | -157 | 135.6 | 111.8 | -118.6 | -164.8 | -154.1 | 0 | 0 | 110.8 | K588 | E586-K588 IonicContact OE1-NZ 2.78Å; E586-K588 IonicContact OE2-NZ 2.84Å; E586-K588 PolarHBondContact OE2-NZ 3.15Å | |||
| 587 | I | 47.6 | Very low | 49.4 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 81% | 0.805 | 66% | 0.656 | S | S | * | * | trans | -111.7 | 113.2 | 174.9 | -62.2 | 175.5 | 0 | 0 | 0 | 108.6 | ||||
| 588 | K | 35.3 | Very low | 48.7 | Very low | 164 Ų | 164 | 122 Ų | 122 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | trans | -137.9 | 103.5 | 162.6 | -73.1 | 179.9 | -175.7 | 121.3 | 0 | 108.9 | E586 | E586-K588 IonicContact OE1-NZ 2.78Å; E586-K588 IonicContact OE2-NZ 2.84Å; E586-K588 PolarHBondContact OE2-NZ 3.15Å | ||
| 589 | L | 42.3 | Very low | 48.7 | Very low | 155 Ų | 155 | 122.4 Ų | 122.4 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | trans | -71.3 | 147.6 | 164.2 | -83.2 | 146.7 | 0 | 0 | 0 | 109.1 | ||||
| 590 | P | 44.1 | Very low | 49.1 | Very low | 112 Ų | 112 | 125.4 Ų | 125.4 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | -142.9 | 141.3 | 103.4 | 34.7 | -19.9 | 0 | 0 | 0 | 115.9 | |||||
| 591 | V | 44.4 | Very low | 49.2 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | trans | 75.2 | 145 | 146.8 | 175.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 592 | E | 47.4 | Very low | 49.7 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | 61.5 | 112.1 | 172.3 | -80.2 | 167.8 | -137.7 | 0 | 0 | 119 | ||||
| 593 | I | 42.1 | Very low | 50.2 | Low | 138 Ų | 138 | 123.2 Ų | 123.2 | 71% | 0.708 | 65% | 0.654 | S | S | * | * | 176.6 | 114.9 | 118.8 | -87.4 | 153.9 | 0 | 0 | 0 | 107.9 | G595 A596 | I593-G595 PolarHBondContact O-N 3.04Å; I593-A596 HydrophobicContact CG2-CB 4.41Å; I593-A596 PolarHBondContact O-N 3.13Å | |||
| 594 | T | 51.7 | Low | 51 | Low | 141 Ų | 141 | 122.3 Ų | 122.3 | 87% | 0.865 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -10.5 | -172.8 | -25.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 595 | G | 52.2 | Low | 52.1 | Low | 35 Ų | 35 | 125 Ų | 125 | 36% | 0.361 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -28.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I593 I597 E598 E599 | I593-G595 PolarHBondContact O-N 3.04Å; G595-I597 PolarHBondContact O-N 2.86Å; G595-I597 VanDerWaalsContact O-N 3.16Å; G595-E598 PolarHBondContact O-N 3.48Å; G595-E599 PolarHBondContact O-N 3.31Å; G595-E599 VanDerWaalsContact O-N 3.12Å |
| 596 | A | 51.7 | Low | 53.1 | Low | 44 Ų | 44 | 119.1 Ų | 119.1 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.4 | -32.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | I593 E599 E600 | I593-A596 HydrophobicContact CG2-CB 4.41Å; I593-A596 PolarHBondContact O-N 3.13Å; A596-E599 PolarHBondContact O-N 2.93Å; A596-E600 WeakPolarHBondContact O-CB 3.4Å; A596-E600 WeakPolarHBondContact O-CG 3.43Å; A596-E600 PolarHBondContact O-N 2.9Å |
| 597 | I | 53.5 | Low | 54.9 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 59% | 0.585 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.4 | -36.3 | 177.5 | -61.8 | 176.2 | 0 | 0 | 0 | 111.2 | G595 F601 | G595-I597 PolarHBondContact O-N 2.86Å; G595-I597 VanDerWaalsContact O-N 3.16Å; I597-F601 HydrophobicContact CG2-CD2 3.9Å; I597-F601 HydrophobicContact CG2-CE2 4.11Å; I597-F601 WeakPolarHBondContact O-CB 3.41Å; I597-F601 WeakPolarHBondContact O-CD2 3.49Å; I597-F601 PolarHBondContact O-N 2.85Å |
| 598 | E | 52.8 | Low | 56.1 | Low | 143 Ų | 143 | 116.7 Ų | 116.7 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.4 | -33.1 | 175.1 | -66.7 | -155.8 | 120.7 | 0 | 0 | 112.1 | G595 T602 | G595-E598 PolarHBondContact O-N 3.48Å; E598-T602 VanDerWaalsContact O-CB 3.26Å; E598-T602 WeakPolarHBondContact O-CB 3.47Å; E598-T602 PolarHBondContact O-N 3.29Å; E598-T602 PolarHBondContact O-OG1 3.3Å |
| 599 | E | 57.2 | Low | 57.7 | Low | 140 Ų | 140 | 112.4 Ų | 112.4 | 65% | 0.654 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.5 | -49.2 | 171.5 | -67.7 | -169 | 127.6 | 0 | 0 | 111.3 | G595 A596 F601 T602 V603 | G595-E599 PolarHBondContact O-N 3.31Å; G595-E599 VanDerWaalsContact O-N 3.12Å; A596-E599 PolarHBondContact O-N 2.93Å; E599-F601 PolarHBondContact O-N 3.08Å; E599-T602 CarbonylContact O-C 3.54Å; E599-T602 WeakPolarHBondContact O-CA 3.44Å; E599-T602 WeakPolarHBondContact O-CB 3.46Å; E599-T602 PolarHBondContact O-N 2.91Å; E599-V603 WeakPolarHBondContact O-CB 3.44Å; E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 3.28Å |
| 600 | E | 57.6 | Low | 59.3 | Low | 144 Ų | 144 | 111.6 Ų | 111.6 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -52.4 | -49.6 | 172.5 | -79.5 | -76.1 | 140.5 | 0 | 0 | 111.9 | A596 T602 V603 A604 | A596-E600 WeakPolarHBondContact O-CB 3.4Å; A596-E600 WeakPolarHBondContact O-CG 3.43Å; A596-E600 PolarHBondContact O-N 2.9Å; E600-T602 VanDerWaalsContact C-N 3.27Å; E600-T602 PolarHBondContact O-N 2.88Å; E600-V603 PolarHBondContact O-N 3.4Å; E600-A604 VanDerWaalsContact O-CB 3.31Å; E600-A604 WeakPolarHBondContact O-CB 3.45Å; E600-A604 PolarHBondContact O-N 3.14Å |
| 601 | F | 59.2 | Low | 60.7 | Low | 136 Ų | 136 | 111.3 Ų | 111.3 | 60% | 0.596 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.5 | -26 | 175.6 | -92.1 | -75.4 | 0 | 0 | 0 | 113.3 | I597 E599 R605 | I597-F601 HydrophobicContact CG2-CD2 3.9Å; I597-F601 HydrophobicContact CG2-CE2 4.11Å; I597-F601 WeakPolarHBondContact O-CB 3.41Å; I597-F601 WeakPolarHBondContact O-CD2 3.49Å; I597-F601 PolarHBondContact O-N 2.85Å; E599-F601 PolarHBondContact O-N 3.08Å; F601-R605 WeakPolarHBondContact O-CB 3.24Å; F601-R605 WeakPolarHBondContact O-CG 3.4Å; F601-R605 PolarHBondContact O-N 3.33Å; F601-R605 PolarHBondContact O-NE 3.14Å |
| 602 | T | 71.2 | Confident | 61.8 | Low | 59 Ų | 59 | 113.3 Ų | 113.3 | 36% | 0.362 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -78.3 | -41.8 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | E598 E599 E600 R605 L606 | E598-T602 VanDerWaalsContact O-CB 3.26Å; E598-T602 WeakPolarHBondContact O-CB 3.47Å; E598-T602 PolarHBondContact O-N 3.29Å; E598-T602 PolarHBondContact O-OG1 3.3Å; E599-T602 CarbonylContact O-C 3.54Å; E599-T602 WeakPolarHBondContact O-CA 3.44Å; E599-T602 WeakPolarHBondContact O-CB 3.46Å; E599-T602 PolarHBondContact O-N 2.91Å; E600-T602 VanDerWaalsContact C-N 3.27Å; E600-T602 PolarHBondContact O-N 2.88Å; T602-R605 PolarHBondContact O-N 3.18Å; T602-R605 PolarHBondContact OG1-NH2 3.01Å; T602-L606 HydrophobicContact CG2-CD1 4.28Å; T602-L606 WeakPolarHBondContact O-CB 3.36Å; T602-L606 WeakPolarHBondContact O-CG 3.5Å; T602-L606 PolarHBondContact O-N 3.01Å |
| 603 | V | 67 | Low | 63.1 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 42% | 0.418 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -48.2 | 170.5 | 170.6 | 0 | 0 | 0 | 0 | 110 | E599 E600 R605 L606 Y607 | E599-V603 WeakPolarHBondContact O-CB 3.44Å; E599-V603 WeakPolarHBondContact O-CG2 3.21Å; E599-V603 PolarHBondContact O-N 3.28Å; E600-V603 PolarHBondContact O-N 3.4Å; V603-R605 PolarHBondContact O-N 3.03Å; V603-L606 WeakPolarHBondContact O-CB 3.4Å; V603-L606 PolarHBondContact O-N 3.04Å; V603-L606 VanDerWaalsContact O-N 3.14Å; V603-Y607 HydrophobicContact CG1-CD2 3.65Å; V603-Y607 HydrophobicContact CG1-CE2 3.64Å; V603-Y607 WeakPolarHBondContact O-CD2 3.4Å; V603-Y607 PolarHBondContact O-N 3.02Å |
| 604 | A | 67.3 | Low | 64.8 | Low | 43 Ų | 43 | 107.1 Ų | 107.1 | 36% | 0.355 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E600 L606 Y607 I608 | E600-A604 VanDerWaalsContact O-CB 3.31Å; E600-A604 WeakPolarHBondContact O-CB 3.45Å; E600-A604 PolarHBondContact O-N 3.14Å; A604-L606 PolarHBondContact O-N 2.98Å; A604-Y607 PolarHBondContact O-N 2.99Å; A604-I608 WeakPolarHBondContact O-CB 3.45Å; A604-I608 VanDerWaalsContact O-CG1 3.28Å; A604-I608 WeakPolarHBondContact O-CG1 3.41Å; A604-I608 PolarHBondContact O-N 2.98Å |
| 605 | R | 67.4 | Low | 65.9 | Low | 151 Ų | 151 | 103.9 Ų | 103.9 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -39.4 | 174.2 | -77.4 | 176.2 | -66.6 | -173.5 | 4.7 | 112.3 | F601 T602 V603 S609 | F601-R605 WeakPolarHBondContact O-CB 3.24Å; F601-R605 WeakPolarHBondContact O-CG 3.4Å; F601-R605 PolarHBondContact O-N 3.33Å; F601-R605 PolarHBondContact O-NE 3.14Å; T602-R605 PolarHBondContact O-N 3.18Å; T602-R605 PolarHBondContact OG1-NH2 3.01Å; V603-R605 PolarHBondContact O-N 3.03Å; R605-S609 WeakPolarHBondContact O-CB 3.42Å; R605-S609 PolarHBondContact O-N 3.03Å |
| 606 | L | 67.9 | Low | 67.1 | Low | 115 Ų | 115 | 109.4 Ų | 109.4 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -42.7 | 175.2 | -75.1 | 166 | 0 | 0 | 0 | 112 | T602 V603 A604 S609 K610 | T602-L606 HydrophobicContact CG2-CD1 4.28Å; T602-L606 WeakPolarHBondContact O-CB 3.36Å; T602-L606 WeakPolarHBondContact O-CG 3.5Å; T602-L606 PolarHBondContact O-N 3.01Å; V603-L606 WeakPolarHBondContact O-CB 3.4Å; V603-L606 PolarHBondContact O-N 3.04Å; V603-L606 VanDerWaalsContact O-N 3.14Å; A604-L606 PolarHBondContact O-N 2.98Å; L606-S609 WeakPolarHBondContact O-CB 3.25Å; L606-S609 PolarHBondContact O-N 3.32Å; L606-K610 WeakPolarHBondContact O-CB 3.32Å; L606-K610 PolarHBondContact O-N 3.32Å |
| 607 | Y | 72.7 | Confident | 68.5 | Low | 148 Ų | 148 | 109.4 Ų | 109.4 | 58% | 0.58 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 173.7 | -89.1 | -76.6 | 0 | 0 | 0 | 112 | V603 A604 S609 K610 I611 | V603-Y607 HydrophobicContact CG1-CD2 3.65Å; V603-Y607 HydrophobicContact CG1-CE2 3.64Å; V603-Y607 WeakPolarHBondContact O-CD2 3.4Å; V603-Y607 PolarHBondContact O-N 3.02Å; A604-Y607 PolarHBondContact O-N 2.99Å; Y607-S609 VanDerWaalsContact C-N 3.29Å; Y607-S609 PolarHBondContact O-N 2.91Å; Y607-K610 PolarHBondContact O-N 3.48Å; Y607-I611 WeakPolarHBondContact O-CB 3.49Å; Y607-I611 VanDerWaalsContact O-CG1 3.28Å; Y607-I611 WeakPolarHBondContact O-CG1 3.49Å; Y607-I611 PolarHBondContact O-N 3.38Å |
| 608 | I | 73.9 | Confident | 69.7 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -40.7 | 174.9 | -70.2 | 164.5 | 0 | 0 | 0 | 110.8 | A604 K612 | A604-I608 WeakPolarHBondContact O-CB 3.45Å; A604-I608 VanDerWaalsContact O-CG1 3.28Å; A604-I608 WeakPolarHBondContact O-CG1 3.41Å; A604-I608 PolarHBondContact O-N 2.98Å; I608-K612 WeakPolarHBondContact O-CB 3.3Å; I608-K612 PolarHBondContact O-N 3.46Å |
| 609 | S | 68.7 | Low | 71 | Confident | 74 Ų | 74 | 105.2 Ų | 105.2 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.4 | -164.7 | 0 | 0 | 0 | 0 | 112.4 | R605 L606 Y607 K612 S613 | R605-S609 WeakPolarHBondContact O-CB 3.42Å; R605-S609 PolarHBondContact O-N 3.03Å; L606-S609 WeakPolarHBondContact O-CB 3.25Å; L606-S609 PolarHBondContact O-N 3.32Å; Y607-S609 VanDerWaalsContact C-N 3.29Å; Y607-S609 PolarHBondContact O-N 2.91Å; S609-K612 PolarHBondContact O-N 2.86Å; S609-S613 PolarHBondContact O-N 3.03Å |
| 610 | K | 74.4 | Confident | 72.1 | Confident | 138 Ų | 138 | 105.9 Ų | 105.9 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 176 | -170.1 | 177.8 | -178.8 | -178.4 | 0 | 111.8 | L606 Y607 S613 E614 | L606-K610 WeakPolarHBondContact O-CB 3.32Å; L606-K610 PolarHBondContact O-N 3.32Å; Y607-K610 PolarHBondContact O-N 3.48Å; K610-S613 VanDerWaalsContact O-CB 3.31Å; K610-S613 WeakPolarHBondContact O-CB 3.47Å; K610-S613 PolarHBondContact O-N 3.26Å; K610-E614 PolarHBondContact O-N 3.06Å |
| 611 | I | 74.1 | Confident | 73.2 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.8 | -68.3 | 164.2 | 0 | 0 | 0 | 110.4 | Y607 S613 E614 V615 | Y607-I611 WeakPolarHBondContact O-CB 3.49Å; Y607-I611 VanDerWaalsContact O-CG1 3.28Å; Y607-I611 WeakPolarHBondContact O-CG1 3.49Å; Y607-I611 PolarHBondContact O-N 3.38Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 2.99Å; I611-E614 PolarHBondContact O-N 3.02Å; I611-V615 HydrophobicContact CG2-CG2 4.3Å; I611-V615 WeakPolarHBondContact O-CB 3.3Å; I611-V615 WeakPolarHBondContact O-CG2 3.39Å; I611-V615 PolarHBondContact O-N 3.37Å |
| 612 | K | 68.6 | Low | 73.8 | Confident | 160 Ų | 160 | 101.7 Ų | 101.7 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | 175.4 | -174.2 | 175 | -177.6 | 175.6 | 0 | 112.4 | I608 S609 K616 | I608-K612 WeakPolarHBondContact O-CB 3.3Å; I608-K612 PolarHBondContact O-N 3.46Å; S609-K612 PolarHBondContact O-N 2.86Å; K612-K616 VanDerWaalsContact O-CB 3.31Å; K612-K616 WeakPolarHBondContact O-CB 3.38Å; K612-K616 PolarHBondContact O-N 3.39Å |
| 613 | S | 74.8 | Confident | 74.3 | Confident | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -50.9 | 171.5 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | S609 K610 I611 V615 K616 S617 | S609-S613 PolarHBondContact O-N 3.03Å; K610-S613 VanDerWaalsContact O-CB 3.31Å; K610-S613 WeakPolarHBondContact O-CB 3.47Å; K610-S613 PolarHBondContact O-N 3.26Å; I611-S613 VanDerWaalsContact C-N 3.27Å; I611-S613 PolarHBondContact O-N 2.99Å; S613-V615 PolarHBondContact O-N 3.47Å; S613-K616 CarbonylContact O-C 3.59Å; S613-K616 PolarHBondContact O-N 3.33Å; S613-K616 VanDerWaalsContact O-N 3.14Å; S613-S617 PolarHBondContact O-N 3.33Å |
| 614 | E | 76 | Confident | 75.1 | Confident | 105 Ų | 105 | 108.9 Ų | 108.9 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | -179 | -72.8 | -55.3 | 152.6 | 0 | 0 | 113.1 | K610 I611 K616 S617 M618 | K610-E614 PolarHBondContact O-N 3.06Å; I611-E614 PolarHBondContact O-N 3.02Å; E614-K616 VanDerWaalsContact C-N 3.3Å; E614-K616 PolarHBondContact O-N 2.87Å; E614-S617 CarbonylContact O-C 3.59Å; E614-S617 WeakPolarHBondContact O-CB 3.43Å; E614-S617 PolarHBondContact O-N 3.23Å; E614-M618 WeakPolarHBondContact O-CB 3.38Å; E614-M618 PolarHBondContact O-N 3.46Å |
| 615 | V | 76.2 | Confident | 75.6 | Confident | 73 Ų | 73 | 112.3 Ų | 112.3 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 172.6 | 172 | 0 | 0 | 0 | 0 | 110.6 | I611 S613 S617 M618 V619 | I611-V615 HydrophobicContact CG2-CG2 4.3Å; I611-V615 WeakPolarHBondContact O-CB 3.3Å; I611-V615 WeakPolarHBondContact O-CG2 3.39Å; I611-V615 PolarHBondContact O-N 3.37Å; S613-V615 PolarHBondContact O-N 3.47Å; V615-S617 VanDerWaalsContact C-N 3.34Å; V615-S617 PolarHBondContact O-N 3Å; V615-M618 PolarHBondContact O-N 2.98Å; V615-V619 HydrophobicContact CG1-CG2 4.48Å; V615-V619 WeakPolarHBondContact O-CG2 3.45Å; V615-V619 PolarHBondContact O-N 2.96Å |
| 616 | K | 77.8 | Confident | 76.1 | Confident | 151 Ų | 151 | 110.6 Ų | 110.6 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.1 | -30.6 | 176.4 | -163.5 | 174.2 | -173.9 | 179.5 | 0 | 112.7 | K612 S613 E614 K620 | K612-K616 VanDerWaalsContact O-CB 3.31Å; K612-K616 WeakPolarHBondContact O-CB 3.38Å; K612-K616 PolarHBondContact O-N 3.39Å; S613-K616 CarbonylContact O-C 3.59Å; S613-K616 PolarHBondContact O-N 3.33Å; S613-K616 VanDerWaalsContact O-N 3.14Å; E614-K616 VanDerWaalsContact C-N 3.3Å; E614-K616 PolarHBondContact O-N 2.87Å; K616-K620 WeakPolarHBondContact O-CG 3.33Å; K616-K620 PolarHBondContact O-N 3.47Å |
| 617 | S | 80.4 | Confident | 76.9 | Confident | 45 Ų | 45 | 110.1 Ų | 110.1 | 32% | 0.315 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 169.8 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | S613 E614 V615 K620 R621 | S613-S617 PolarHBondContact O-N 3.33Å; E614-S617 CarbonylContact O-C 3.59Å; E614-S617 WeakPolarHBondContact O-CB 3.43Å; E614-S617 PolarHBondContact O-N 3.23Å; V615-S617 VanDerWaalsContact C-N 3.34Å; V615-S617 PolarHBondContact O-N 3Å; S617-K620 PolarHBondContact O-N 3.36Å; S617-R621 PolarHBondContact O-N 2.92Å; S617-R621 VanDerWaalsContact O-N 3.12Å; S617-R621 PolarHBondContact O-NE 3.31Å; S617-R621 PolarHBondContact OG-NH2 2.89Å |
| 618 | M | 77.9 | Confident | 77.3 | Confident | 100 Ų | 100 | 107.6 Ų | 107.6 | 49% | 0.493 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 178.3 | -169.7 | 169.2 | 71.9 | 0 | 0 | 111.6 | E614 V615 K620 R621 C622 | E614-M618 WeakPolarHBondContact O-CB 3.38Å; E614-M618 PolarHBondContact O-N 3.46Å; V615-M618 PolarHBondContact O-N 2.98Å; M618-K620 VanDerWaalsContact C-N 3.27Å; M618-K620 PolarHBondContact O-N 2.94Å; M618-R621 CarbonylContact O-C 3.51Å; M618-R621 WeakPolarHBondContact O-CA 3.42Å; M618-R621 WeakPolarHBondContact O-CB 3.28Å; M618-R621 PolarHBondContact O-N 3.49Å; M618-C622 PolarHBondContact O-N 3.46Å; M618-C622 PolarHBondContact O-SG 2.94Å; M618-C622 VanDerWaalsContact O-SG 3.34Å |
| 619 | V | 81.1 | Confident | 77.5 | Confident | 69 Ų | 69 | 107.7 Ų | 107.7 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 175.6 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | V615 R623 | V615-V619 HydrophobicContact CG1-CG2 4.48Å; V615-V619 WeakPolarHBondContact O-CG2 3.45Å; V615-V619 PolarHBondContact O-N 2.96Å; V619-R623 WeakPolarHBondContact O-CG 3.33Å; V619-R623 PolarHBondContact O-N 2.98Å; V619-R623 VanDerWaalsContact O-N 3.12Å |
| 620 | K | 81 | Confident | 78.2 | Confident | 154 Ų | 154 | 108.4 Ų | 108.4 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 171.6 | -80.9 | -176.1 | 172.6 | -168.6 | 0 | 112.6 | K616 S617 M618 H624 | K616-K620 WeakPolarHBondContact O-CG 3.33Å; K616-K620 PolarHBondContact O-N 3.47Å; S617-K620 PolarHBondContact O-N 3.36Å; M618-K620 VanDerWaalsContact C-N 3.27Å; M618-K620 PolarHBondContact O-N 2.94Å; K620-H624 PolarHBondContact O-N 3.37Å; K620-H624 VanDerWaalsContact O-N 3.09Å |
| 621 | R | 80.3 | Confident | 78.6 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 177 | -77.2 | 178.1 | -79.3 | 140.6 | -8.1 | 112.2 | S617 M618 H624 L625 | S617-R621 PolarHBondContact O-N 2.92Å; S617-R621 VanDerWaalsContact O-N 3.12Å; S617-R621 PolarHBondContact O-NE 3.31Å; S617-R621 PolarHBondContact OG-NH2 2.89Å; M618-R621 CarbonylContact O-C 3.51Å; M618-R621 WeakPolarHBondContact O-CA 3.42Å; M618-R621 WeakPolarHBondContact O-CB 3.28Å; M618-R621 PolarHBondContact O-N 3.49Å; R621-H624 PolarHBondContact O-N 3.16Å; R621-L625 WeakPolarHBondContact O-CG 3.42Å; R621-L625 PolarHBondContact O-N 2.88Å |
| 622 | C | 71.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 104.1 Ų | 104.1 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 172.5 | -63.3 | 0 | 0 | 0 | 0 | 111 | M618 H624 L625 E626 | M618-C622 PolarHBondContact O-N 3.46Å; M618-C622 PolarHBondContact O-SG 2.94Å; M618-C622 VanDerWaalsContact O-SG 3.34Å; C622-H624 VanDerWaalsContact C-N 3.27Å; C622-H624 PolarHBondContact O-N 3.2Å; C622-L625 PolarHBondContact O-N 3.37Å; C622-L625 VanDerWaalsContact O-N 3.07Å; C622-E626 WeakPolarHBondContact O-CG 3.37Å; C622-E626 PolarHBondContact O-N 3.11Å |
| 623 | R | 82.3 | Confident | 79 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.1 | -32.6 | 176.3 | -71.8 | -178.5 | -179.2 | -168.5 | -0.9 | 114.3 | V619 E626 N627 | V619-R623 WeakPolarHBondContact O-CG 3.33Å; V619-R623 PolarHBondContact O-N 2.98Å; V619-R623 VanDerWaalsContact O-N 3.12Å; R623-E626 WeakPolarHBondContact CA-OE2 3.32Å; R623-N627 WeakPolarHBondContact O-CB 3.5Å; R623-N627 PolarHBondContact O-N 3.11Å; R623-N627 PolarHBondContact O-OD1 2.87Å |
| 624 | H | 83.2 | Confident | 79.7 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 175.4 | -175.2 | 45.1 | 0 | 0 | 0 | 112.1 | K620 R621 C622 L628 | K620-H624 PolarHBondContact O-N 3.37Å; K620-H624 VanDerWaalsContact O-N 3.09Å; R621-H624 PolarHBondContact O-N 3.16Å; C622-H624 VanDerWaalsContact C-N 3.27Å; C622-H624 PolarHBondContact O-N 3.2Å; H624-L628 WeakPolarHBondContact O-CB 3.47Å; H624-L628 PolarHBondContact O-N 3.47Å |
| 625 | L | 77 | Confident | 80.1 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.3 | -39.9 | 174.1 | -68.4 | 169.3 | 0 | 0 | 0 | 112 | R621 C622 L628 Q629 | R621-L625 WeakPolarHBondContact O-CG 3.42Å; R621-L625 PolarHBondContact O-N 2.88Å; C622-L625 PolarHBondContact O-N 3.37Å; C622-L625 VanDerWaalsContact O-N 3.07Å; L625-L628 PolarHBondContact O-N 3.4Å; L625-Q629 WeakPolarHBondContact O-CB 3.47Å; L625-Q629 PolarHBondContact O-N 2.89Å |
| 626 | E | 77.9 | Confident | 80.1 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57 | -49.3 | 171.9 | -71.7 | 161.1 | -178.3 | 0 | 0 | 110.6 | C622 R623 L628 Q629 T630 | C622-E626 WeakPolarHBondContact O-CG 3.37Å; C622-E626 PolarHBondContact O-N 3.11Å; R623-E626 WeakPolarHBondContact CA-OE2 3.32Å; E626-L628 PolarHBondContact O-N 2.89Å; E626-Q629 WeakPolarHBondContact O-CB 3.45Å; E626-Q629 PolarHBondContact O-N 3.41Å; E626-T630 PolarHBondContact O-N 2.81Å; E626-T630 PolarHBondContact O-OG1 3.44Å |
| 627 | N | 84.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 102.1 Ų | 102.1 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 176.7 | -72.3 | 6.2 | 0 | 0 | 0 | 112.6 | R623 T630 E631 | R623-N627 WeakPolarHBondContact O-CB 3.5Å; R623-N627 PolarHBondContact O-N 3.11Å; R623-N627 PolarHBondContact O-OD1 2.87Å; N627-T630 WeakPolarHBondContact CA-OG1 3.43Å; N627-T630 PolarHBondContact O-N 3.01Å; N627-T630 PolarHBondContact O-OG1 3.47Å; N627-E631 PolarHBondContact O-N 3.27Å |
| 628 | L | 82.3 | Confident | 80.5 | Confident | 94 Ų | 94 | 103 Ų | 103 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.3 | -87.6 | 161.2 | 0 | 0 | 0 | 112.1 | H624 L625 E626 E631 C632 | H624-L628 WeakPolarHBondContact O-CB 3.47Å; H624-L628 PolarHBondContact O-N 3.47Å; L625-L628 PolarHBondContact O-N 3.4Å; E626-L628 PolarHBondContact O-N 2.89Å; L628-E631 PolarHBondContact O-N 3.48Å; L628-C632 WeakPolarHBondContact O-CB 3.42Å; L628-C632 PolarHBondContact O-N 3.12Å |
| 629 | Q | 77.6 | Confident | 80.5 | Confident | 113 Ų | 113 | 101.9 Ų | 101.9 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.9 | -170.9 | 65.6 | 52.1 | 0 | 0 | 111.1 | L625 E626 E631 C632 N633 | L625-Q629 WeakPolarHBondContact O-CB 3.47Å; L625-Q629 PolarHBondContact O-N 2.89Å; E626-Q629 WeakPolarHBondContact O-CB 3.45Å; E626-Q629 PolarHBondContact O-N 3.41Å; Q629-E631 PolarHBondContact O-N 2.95Å; Q629-C632 PolarHBondContact O-N 3.2Å; Q629-N633 PolarHBondContact NE2-OD1 2.85Å; Q629-N633 VanDerWaalsContact O-CG 3.32Å; Q629-N633 PolarHBondContact O-N 2.72Å; Q629-N633 PolarHBondContact O-OD1 2.75Å |
| 630 | T | 83.1 | Confident | 80.4 | Confident | 89 Ų | 89 | 102 Ų | 102 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | E626 N627 N633 R634 | E626-T630 PolarHBondContact O-N 2.81Å; E626-T630 PolarHBondContact O-OG1 3.44Å; N627-T630 WeakPolarHBondContact CA-OG1 3.43Å; N627-T630 PolarHBondContact O-N 3.01Å; N627-T630 PolarHBondContact O-OG1 3.47Å; T630-N633 PolarHBondContact O-N 3.41Å; T630-R634 WeakPolarHBondContact O-CB 3.49Å; T630-R634 PolarHBondContact O-N 3.25Å |
| 631 | E | 83.6 | Confident | 80.7 | Confident | 75 Ų | 75 | 101 Ų | 101 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.7 | -33 | 176.3 | 177.7 | 59.1 | -167.1 | 0 | 0 | 112.1 | N627 L628 Q629 R634 K635 | N627-E631 PolarHBondContact O-N 3.27Å; L628-E631 PolarHBondContact O-N 3.48Å; Q629-E631 PolarHBondContact O-N 2.95Å; E631-R634 IonicContact OE1-CZ 2.76Å; E631-R634 IonicContact OE1-NE 3.76Å; E631-R634 IonicContact OE1-NH2 3.63Å; E631-R634 PolarHBondContact OE1-NH2 3.35Å; E631-R634 IonicContact OE2-CZ 3.73Å; E631-R634 IonicContact OE2-NE 2.71Å; E631-R634 PolarHBondContact OE2-NE 2.8Å; E631-R634 IonicContact OE2-NH2 3.85Å; E631-R634 PolarHBondContact OE2-NH2 3.23Å; E631-K635 WeakPolarHBondContact O-CG 3.41Å; E631-K635 PolarHBondContact O-N 2.99Å; E631-K635 VanDerWaalsContact O-N 3.16Å; E631-K635 WeakPolarHBondContact OE1-CE 3.36Å; E631-K635 IonicContact OE1-NZ 2.89Å |
| 632 | C | 74.2 | Confident | 80.9 | Confident | 79 Ų | 79 | 100.1 Ų | 100.1 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -48.3 | 172.7 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | L628 Q629 R634 K635 M636 | L628-C632 WeakPolarHBondContact O-CB 3.42Å; L628-C632 PolarHBondContact O-N 3.12Å; Q629-C632 PolarHBondContact O-N 3.2Å; C632-R634 PolarHBondContact O-N 3.07Å; C632-K635 PolarHBondContact O-N 3.02Å; C632-M636 PolarHBondContact O-N 3.21Å; C632-M636 VanDerWaalsContact O-N 3.07Å |
| 633 | N | 77.3 | Confident | 81.3 | Confident | 63 Ų | 63 | 102.6 Ų | 102.6 | 34% | 0.337 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.2 | -69.7 | 13.4 | 0 | 0 | 0 | 111.4 | Q629 T630 K635 M636 E637 | Q629-N633 PolarHBondContact NE2-OD1 2.85Å; Q629-N633 VanDerWaalsContact O-CG 3.32Å; Q629-N633 PolarHBondContact O-N 2.72Å; Q629-N633 PolarHBondContact O-OD1 2.75Å; T630-N633 PolarHBondContact O-N 3.41Å; N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.95Å; N633-M636 WeakPolarHBondContact O-CB 3.41Å; N633-M636 PolarHBondContact O-N 2.8Å; N633-E637 PolarHBondContact O-N 3.01Å |
| 634 | R | 89.4 | Confident | 81.5 | Confident | 97 Ų | 97 | 98.3 Ų | 98.3 | 37% | 0.366 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.7 | -41.6 | 178 | -167.2 | -166.6 | 67.5 | 68.1 | 6.2 | 112.3 | T630 E631 C632 E637 E638 | T630-R634 WeakPolarHBondContact O-CB 3.49Å; T630-R634 PolarHBondContact O-N 3.25Å; E631-R634 IonicContact OE1-CZ 2.76Å; E631-R634 IonicContact OE1-NE 3.76Å; E631-R634 IonicContact OE1-NH2 3.63Å; E631-R634 PolarHBondContact OE1-NH2 3.35Å; E631-R634 IonicContact OE2-CZ 3.73Å; E631-R634 IonicContact OE2-NE 2.71Å; E631-R634 PolarHBondContact OE2-NE 2.8Å; E631-R634 IonicContact OE2-NH2 3.85Å; E631-R634 PolarHBondContact OE2-NH2 3.23Å; C632-R634 PolarHBondContact O-N 3.07Å; R634-E637 PolarHBondContact O-N 3.26Å; R634-E638 IonicContact CZ-OE2 3.48Å; R634-E638 IonicContact NH1-OE1 3.22Å; R634-E638 IonicContact NH1-OE2 3.48Å; R634-E638 PolarHBondContact NH1-OE2 2.98Å; R634-E638 IonicContact NH2-OE2 2.68Å; R634-E638 WeakPolarHBondContact O-CB 3.47Å; R634-E638 PolarHBondContact O-N 3.42Å |
| 635 | K | 84.7 | Confident | 81.6 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 175.5 | -71.1 | -176.4 | -172.4 | -171.3 | 0 | 113.1 | E631 C632 N633 E638 T639 | E631-K635 WeakPolarHBondContact O-CG 3.41Å; E631-K635 PolarHBondContact O-N 2.99Å; E631-K635 VanDerWaalsContact O-N 3.16Å; E631-K635 WeakPolarHBondContact OE1-CE 3.36Å; E631-K635 IonicContact OE1-NZ 2.89Å; C632-K635 PolarHBondContact O-N 3.02Å; N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.95Å; K635-E638 WeakPolarHBondContact O-CB 3.43Å; K635-E638 PolarHBondContact O-N 3.33Å; K635-T639 PolarHBondContact O-N 2.95Å; K635-T639 PolarHBondContact O-OG1 3.42Å |
| 636 | M | 75.5 | Confident | 81.6 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 61% | 0.611 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.1 | -36.8 | 175.3 | -171.8 | 175.6 | 66.7 | 0 | 0 | 111.9 | C632 N633 E638 T639 S640 | C632-M636 PolarHBondContact O-N 3.21Å; C632-M636 VanDerWaalsContact O-N 3.07Å; N633-M636 WeakPolarHBondContact O-CB 3.41Å; N633-M636 PolarHBondContact O-N 2.8Å; M636-E638 VanDerWaalsContact C-N 3.32Å; M636-T639 PolarHBondContact O-OG1 3.3Å; M636-S640 WeakPolarHBondContact O-CB 3.23Å; M636-S640 PolarHBondContact O-N 3Å |
| 637 | E | 81.7 | Confident | 81.8 | Confident | 118 Ų | 118 | 95 Ų | 95 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.4 | -31 | 170.1 | -69.7 | 172.9 | -168.5 | 0 | 0 | 112.4 | N633 R634 R641 | N633-E637 PolarHBondContact O-N 3.01Å; R634-E637 PolarHBondContact O-N 3.26Å; E637-R641 WeakPolarHBondContact O-CG 3.11Å; E637-R641 PolarHBondContact O-N 3.08Å; E637-R641 VanDerWaalsContact O-N 3.09Å; E637-R641 PolarHBondContact O-NE 3.47Å; E637-R641 VanDerWaalsContact O-NE 3.09Å |
| 638 | E | 85.6 | Confident | 82 | Confident | 63 Ų | 63 | 95 Ų | 95 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -54.1 | 175.9 | -156.4 | 120.7 | -90.9 | 0 | 0 | 111.7 | R634 K635 M636 S640 R641 E642 | R634-E638 IonicContact CZ-OE2 3.48Å; R634-E638 IonicContact NH1-OE1 3.22Å; R634-E638 IonicContact NH1-OE2 3.48Å; R634-E638 PolarHBondContact NH1-OE2 2.98Å; R634-E638 IonicContact NH2-OE2 2.68Å; R634-E638 WeakPolarHBondContact O-CB 3.47Å; R634-E638 PolarHBondContact O-N 3.42Å; K635-E638 WeakPolarHBondContact O-CB 3.43Å; K635-E638 PolarHBondContact O-N 3.33Å; M636-E638 VanDerWaalsContact C-N 3.32Å; E638-S640 VanDerWaalsContact C-N 3.29Å; E638-S640 PolarHBondContact O-N 3.14Å; E638-R641 VanDerWaalsContact CA-NH2 3.31Å; E638-R641 WeakPolarHBondContact O-CB 3.31Å; E638-R641 PolarHBondContact O-N 3.3Å; E638-R641 VanDerWaalsContact O-N 3.15Å; E638-R641 IonicContact OE1-CZ 3.3Å; E638-R641 IonicContact OE1-NH1 3.03Å; E638-R641 PolarHBondContact OE1-NH1 3.06Å; E638-R641 VanDerWaalsContact OE1-NH1 3.17Å; E638-R641 IonicContact OE1-NH2 3.79Å; E638-R641 PolarHBondContact OE1-NH2 2.92Å; E638-E642 WeakPolarHBondContact O-CG 3.44Å; E638-E642 PolarHBondContact O-N 3.47Å |
| 639 | T | 77.8 | Confident | 82.2 | Confident | 78 Ų | 78 | 94.8 Ų | 94.8 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -30.7 | 177.6 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | K635 M636 E642 L643 | K635-T639 PolarHBondContact O-N 2.95Å; K635-T639 PolarHBondContact O-OG1 3.42Å; M636-T639 PolarHBondContact O-OG1 3.3Å; T639-E642 PolarHBondContact O-N 2.98Å; T639-L643 VanDerWaalsContact O-CB 3.29Å; T639-L643 WeakPolarHBondContact O-CB 3.32Å; T639-L643 PolarHBondContact O-N 2.89Å |
| 640 | S | 77.6 | Confident | 82.2 | Confident | 70 Ų | 70 | 93.9 Ų | 93.9 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 172 | -178.6 | 0 | 0 | 0 | 0 | 112.3 | M636 E638 S644 | M636-S640 WeakPolarHBondContact O-CB 3.23Å; M636-S640 PolarHBondContact O-N 3Å; E638-S640 VanDerWaalsContact C-N 3.29Å; E638-S640 PolarHBondContact O-N 3.14Å; S640-S644 WeakPolarHBondContact O-CB 3.46Å; S640-S644 PolarHBondContact O-N 3.35Å; S640-S644 VanDerWaalsContact O-N 3.07Å; S640-S644 PolarHBondContact O-OG 2.88Å |
| 641 | R | 88.3 | Confident | 82.3 | Confident | 133 Ų | 133 | 92.5 Ų | 92.5 | 50% | 0.502 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 173.3 | -78 | 176.9 | -79.8 | 118.8 | -10.6 | 112.2 | E637 E638 S644 S645 | E637-R641 WeakPolarHBondContact O-CG 3.11Å; E637-R641 PolarHBondContact O-N 3.08Å; E637-R641 VanDerWaalsContact O-N 3.09Å; E637-R641 PolarHBondContact O-NE 3.47Å; E637-R641 VanDerWaalsContact O-NE 3.09Å; E638-R641 VanDerWaalsContact CA-NH2 3.31Å; E638-R641 WeakPolarHBondContact O-CB 3.31Å; E638-R641 PolarHBondContact O-N 3.3Å; E638-R641 VanDerWaalsContact O-N 3.15Å; E638-R641 IonicContact OE1-CZ 3.3Å; E638-R641 IonicContact OE1-NH1 3.03Å; E638-R641 PolarHBondContact OE1-NH1 3.06Å; E638-R641 VanDerWaalsContact OE1-NH1 3.17Å; E638-R641 IonicContact OE1-NH2 3.79Å; E638-R641 PolarHBondContact OE1-NH2 2.92Å; R641-S644 PolarHBondContact O-N 3Å; R641-S645 PolarHBondContact O-N 3.42Å |
| 642 | E | 85.4 | Confident | 82.4 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.7 | -69.8 | 172.4 | 165.8 | 0 | 0 | 111.7 | E638 T639 S644 S645 C646 | E638-E642 WeakPolarHBondContact O-CG 3.44Å; E638-E642 PolarHBondContact O-N 3.47Å; T639-E642 PolarHBondContact O-N 2.98Å; E642-S644 VanDerWaalsContact C-N 3.29Å; E642-S644 PolarHBondContact O-N 3.25Å; E642-S645 WeakPolarHBondContact O-CA 3.33Å; E642-S645 VanDerWaalsContact O-CB 3.29Å; E642-S645 WeakPolarHBondContact O-CB 3.31Å; E642-S645 PolarHBondContact O-N 3.26Å; E642-C646 PolarHBondContact O-N 3.03Å; E642-C646 PolarHBondContact O-SG 3.34Å |
| 643 | L | 78.7 | Confident | 82.9 | Confident | 110 Ų | 110 | 95.4 Ų | 95.4 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | 180 | -164.6 | 153.7 | 0 | 0 | 0 | 112.2 | T639 C646 H647 | T639-L643 VanDerWaalsContact O-CB 3.29Å; T639-L643 WeakPolarHBondContact O-CB 3.32Å; T639-L643 PolarHBondContact O-N 2.89Å; L643-C646 PolarHBondContact O-N 3.21Å; L643-H647 PolarHBondContact O-N 2.85Å; L643-H647 PolarHBondContact O-ND1 3.46Å |
| 644 | S | 85.7 | Confident | 83 | Confident | 71 Ų | 71 | 96.7 Ų | 96.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | S640 R641 E642 H647 L648 | S640-S644 WeakPolarHBondContact O-CB 3.46Å; S640-S644 PolarHBondContact O-N 3.35Å; S640-S644 VanDerWaalsContact O-N 3.07Å; S640-S644 PolarHBondContact O-OG 2.88Å; R641-S644 PolarHBondContact O-N 3Å; E642-S644 VanDerWaalsContact C-N 3.29Å; E642-S644 PolarHBondContact O-N 3.25Å; S644-H647 PolarHBondContact O-N 3.11Å; S644-L648 PolarHBondContact O-N 2.99Å; S644-L648 VanDerWaalsContact O-N 3.08Å |
| 645 | S | 85.9 | Confident | 82.7 | Confident | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175 | -166.7 | 0 | 0 | 0 | 0 | 111.7 | R641 E642 H647 L648 L649 | R641-S645 PolarHBondContact O-N 3.42Å; E642-S645 WeakPolarHBondContact O-CA 3.33Å; E642-S645 VanDerWaalsContact O-CB 3.29Å; E642-S645 WeakPolarHBondContact O-CB 3.31Å; E642-S645 PolarHBondContact O-N 3.26Å; S645-H647 PolarHBondContact O-N 3.1Å; S645-L648 PolarHBondContact O-N 3.32Å; S645-L649 PolarHBondContact O-N 2.93Å |
| 646 | C | 77.8 | Confident | 82.9 | Confident | 73 Ų | 73 | 95.7 Ų | 95.7 | 49% | 0.493 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.1 | -66 | 0 | 0 | 0 | 0 | 112.5 | E642 L643 L648 L649 I650 | E642-C646 PolarHBondContact O-N 3.03Å; E642-C646 PolarHBondContact O-SG 3.34Å; L643-C646 PolarHBondContact O-N 3.21Å; C646-L648 VanDerWaalsContact C-N 3.35Å; C646-L648 PolarHBondContact O-N 3.15Å; C646-L649 PolarHBondContact O-N 3.48Å; C646-I650 VanDerWaalsContact O-CG1 3.31Å; C646-I650 WeakPolarHBondContact O-CG1 3.38Å; C646-I650 PolarHBondContact O-N 2.68Å |
| 647 | H | 81.1 | Confident | 83.2 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.5 | -43.3 | 173.6 | -96.5 | 73.8 | 0 | 0 | 0 | 112.5 | L643 S644 S645 I650 S651 | L643-H647 PolarHBondContact O-N 2.85Å; L643-H647 PolarHBondContact O-ND1 3.46Å; S644-H647 PolarHBondContact O-N 3.11Å; S645-H647 PolarHBondContact O-N 3.1Å; H647-I650 PolarHBondContact O-N 3.31Å; H647-S651 PolarHBondContact O-N 3.22Å |
| 648 | L | 88.3 | Confident | 83.4 | Confident | 106 Ų | 106 | 95.5 Ų | 95.5 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -42.2 | 177.3 | -178.2 | 62 | 0 | 0 | 0 | 111.7 | S644 S645 C646 S651 Q652 | S644-L648 PolarHBondContact O-N 2.99Å; S644-L648 VanDerWaalsContact O-N 3.08Å; S645-L648 PolarHBondContact O-N 3.32Å; C646-L648 VanDerWaalsContact C-N 3.35Å; C646-L648 PolarHBondContact O-N 3.15Å; L648-S651 PolarHBondContact O-N 2.89Å; L648-Q652 WeakPolarHBondContact O-CG 3.44Å; L648-Q652 PolarHBondContact O-N 3.07Å |
| 649 | L | 86.1 | Confident | 83.5 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 178 | -175.9 | 62.6 | 0 | 0 | 0 | 112.2 | S645 C646 Q652 H653 | S645-L649 PolarHBondContact O-N 2.93Å; C646-L649 PolarHBondContact O-N 3.48Å; L649-Q652 PolarHBondContact O-N 3.04Å; L649-H653 PolarHBondContact O-CD2 3.14Å; L649-H653 PolarHBondContact O-N 2.87Å |
| 650 | I | 78.3 | Confident | 83.8 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -49.6 | 174 | -69.3 | 163.1 | 0 | 0 | 0 | 110.1 | C646 H647 Q652 H653 E654 | C646-I650 VanDerWaalsContact O-CG1 3.31Å; C646-I650 WeakPolarHBondContact O-CG1 3.38Å; C646-I650 PolarHBondContact O-N 2.68Å; H647-I650 PolarHBondContact O-N 3.31Å; I650-Q652 VanDerWaalsContact C-N 3.3Å; I650-Q652 PolarHBondContact O-N 2.65Å; I650-H653 WeakPolarHBondContact O-CA 3.24Å; I650-H653 WeakPolarHBondContact O-CB 3.4Å; I650-H653 PolarHBondContact O-N 2.62Å; I650-E654 HydrophobicContact CG2-CG 4.44Å; I650-E654 WeakPolarHBondContact O-CG 3.46Å; I650-E654 PolarHBondContact O-N 2.69Å |
| 651 | S | 85.6 | Confident | 83.8 | Confident | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.7 | -165.3 | 0 | 0 | 0 | 0 | 112.9 | H647 L648 E654 A655 | H647-S651 PolarHBondContact O-N 3.22Å; L648-S651 PolarHBondContact O-N 2.89Å; S651-E654 PolarHBondContact O-N 3.35Å; S651-A655 WeakPolarHBondContact O-CB 3.45Å; S651-A655 PolarHBondContact O-N 3.18Å |
| 652 | Q | 85.5 | Confident | 83.6 | Confident | 112 Ų | 112 | 96.8 Ų | 96.8 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 171.5 | -73.6 | 175 | 10.9 | 0 | 0 | 112.5 | L648 L649 I650 A655 K656 | L648-Q652 WeakPolarHBondContact O-CG 3.44Å; L648-Q652 PolarHBondContact O-N 3.07Å; L649-Q652 PolarHBondContact O-N 3.04Å; I650-Q652 VanDerWaalsContact C-N 3.3Å; I650-Q652 PolarHBondContact O-N 2.65Å; Q652-A655 PolarHBondContact O-N 3.33Å; Q652-K656 PolarHBondContact O-N 3.25Å |
| 653 | H | 84.1 | Confident | 83.6 | Confident | 102 Ų | 102 | 94.7 Ų | 94.7 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 174.7 | -72.1 | -53.9 | 0 | 0 | 0 | 112.3 | L649 I650 A655 K656 I657 | L649-H653 PolarHBondContact O-CD2 3.14Å; L649-H653 PolarHBondContact O-N 2.87Å; I650-H653 WeakPolarHBondContact O-CA 3.24Å; I650-H653 WeakPolarHBondContact O-CB 3.4Å; I650-H653 PolarHBondContact O-N 2.62Å; H653-A655 VanDerWaalsContact C-N 3.3Å; H653-A655 PolarHBondContact O-N 3.16Å; H653-K656 PolarHBondContact O-N 3.43Å; H653-I657 VanDerWaalsContact O-CG1 3.3Å; H653-I657 WeakPolarHBondContact O-CG1 3.45Å; H653-I657 PolarHBondContact O-N 2.85Å |
| 654 | E | 79.4 | Confident | 83.6 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 173.9 | -66 | 173.3 | -175.9 | 0 | 0 | 113 | I650 S651 R658 | I650-E654 HydrophobicContact CG2-CG 4.44Å; I650-E654 WeakPolarHBondContact O-CG 3.46Å; I650-E654 PolarHBondContact O-N 2.69Å; S651-E654 PolarHBondContact O-N 3.35Å; E654-R658 WeakPolarHBondContact O-CG 3.43Å; E654-R658 PolarHBondContact O-N 3.07Å; E654-R658 VanDerWaalsContact O-N 3.13Å; E654-R658 PolarHBondContact O-NE 3.02Å; E654-R658 IonicContact OE2-NH2 3.49Å; E654-R658 PolarHBondContact OE2-NH2 2.97Å; E654-R658 VanDerWaalsContact OE2-NH2 3.15Å |
| 655 | A | 84.3 | Confident | 83.4 | Confident | 54 Ų | 54 | 97.4 Ų | 97.4 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S651 Q652 H653 R658 S659 | S651-A655 WeakPolarHBondContact O-CB 3.45Å; S651-A655 PolarHBondContact O-N 3.18Å; Q652-A655 PolarHBondContact O-N 3.33Å; H653-A655 VanDerWaalsContact C-N 3.3Å; H653-A655 PolarHBondContact O-N 3.16Å; A655-R658 PolarHBondContact O-N 3.05Å; A655-S659 PolarHBondContact O-N 3.4Å |
| 656 | K | 87.6 | Confident | 83.3 | Confident | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 176 | -172 | 175.3 | 179.9 | -179.3 | 0 | 112.4 | Q652 H653 S659 L660 | Q652-K656 PolarHBondContact O-N 3.25Å; H653-K656 PolarHBondContact O-N 3.43Å; K656-S659 PolarHBondContact O-N 3.42Å; K656-L660 HydrophobicContact CG-CD1 4.2Å; K656-L660 WeakPolarHBondContact O-CG 3.45Å; K656-L660 PolarHBondContact O-N 2.97Å |
| 657 | I | 81.8 | Confident | 83.5 | Confident | 100 Ų | 100 | 99.8 Ų | 99.8 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 175.9 | -70.1 | 163.3 | 0 | 0 | 0 | 110.2 | H653 S659 L660 M661 | H653-I657 VanDerWaalsContact O-CG1 3.3Å; H653-I657 WeakPolarHBondContact O-CG1 3.45Å; H653-I657 PolarHBondContact O-N 2.85Å; I657-S659 PolarHBondContact O-N 3.13Å; I657-L660 PolarHBondContact O-N 3.44Å; I657-L660 VanDerWaalsContact O-N 3.15Å; I657-M661 HydrophobicContact CG2-SD 4.16Å; I657-M661 WeakPolarHBondContact O-CG 3.41Å; I657-M661 PolarHBondContact O-N 3.24Å |
| 658 | R | 85.7 | Confident | 83.1 | Confident | 137 Ų | 137 | 98.7 Ų | 98.7 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 174.4 | -78.6 | 175.5 | -88.3 | -169.9 | -11.4 | 112.2 | E654 A655 L660 M661 D662 | E654-R658 WeakPolarHBondContact O-CG 3.43Å; E654-R658 PolarHBondContact O-N 3.07Å; E654-R658 VanDerWaalsContact O-N 3.13Å; E654-R658 PolarHBondContact O-NE 3.02Å; E654-R658 IonicContact OE2-NH2 3.49Å; E654-R658 PolarHBondContact OE2-NH2 2.97Å; E654-R658 VanDerWaalsContact OE2-NH2 3.15Å; A655-R658 PolarHBondContact O-N 3.05Å; R658-L660 VanDerWaalsContact C-N 3.26Å; R658-L660 PolarHBondContact O-N 3.38Å; R658-M661 PolarHBondContact O-N 3.11Å; R658-M661 VanDerWaalsContact O-N 3.13Å; R658-D662 PolarHBondContact O-N 3.42Å |
| 659 | S | 89.1 | Confident | 82.9 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -31.3 | 177.3 | -175.6 | 0 | 0 | 0 | 0 | 113.7 | A655 K656 I657 C663 | A655-S659 PolarHBondContact O-N 3.4Å; K656-S659 PolarHBondContact O-N 3.42Å; I657-S659 PolarHBondContact O-N 3.13Å; S659-C663 WeakPolarHBondContact O-CB 3.34Å; S659-C663 PolarHBondContact O-N 2.87Å |
| 660 | L | 82.8 | Confident | 82.7 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -74.8 | -39.3 | 174.3 | -78.7 | 163.8 | 0 | 0 | 0 | 112 | K656 I657 R658 C663 M664 | K656-L660 HydrophobicContact CG-CD1 4.2Å; K656-L660 WeakPolarHBondContact O-CG 3.45Å; K656-L660 PolarHBondContact O-N 2.97Å; I657-L660 PolarHBondContact O-N 3.44Å; I657-L660 VanDerWaalsContact O-N 3.15Å; R658-L660 VanDerWaalsContact C-N 3.26Å; R658-L660 PolarHBondContact O-N 3.38Å; L660-C663 WeakPolarHBondContact O-CB 3.47Å; L660-C663 PolarHBondContact O-N 3.5Å; L660-M664 WeakPolarHBondContact O-CB 3.48Å; L660-M664 PolarHBondContact O-N 2.89Å |
| 661 | M | 77.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 100.9 Ų | 100.9 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.3 | -70.2 | 176.9 | 67.2 | 0 | 0 | 111.7 | I657 R658 C663 M664 Q665 | I657-M661 HydrophobicContact CG2-SD 4.16Å; I657-M661 WeakPolarHBondContact O-CG 3.41Å; I657-M661 PolarHBondContact O-N 3.24Å; R658-M661 PolarHBondContact O-N 3.11Å; R658-M661 VanDerWaalsContact O-N 3.13Å; M661-C663 VanDerWaalsContact C-N 3.31Å; M661-C663 PolarHBondContact O-N 3.15Å; M661-M664 PolarHBondContact O-N 3.47Å; M661-Q665 WeakPolarHBondContact O-CG 3.33Å; M661-Q665 PolarHBondContact O-N 2.86Å |
| 662 | D | 84.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.5 | -66.4 | -16.1 | 0 | 0 | 0 | 111 | R658 Q665 N666 | R658-D662 PolarHBondContact O-N 3.42Å; D662-Q665 PolarHBondContact O-N 3Å; D662-N666 PolarHBondContact O-N 3.18Å; D662-N666 VanDerWaalsContact O-N 3.08Å; D662-N666 PolarHBondContact O-ND2 3.34Å |
| 663 | C | 84.6 | Confident | 81.7 | Confident | 74 Ų | 74 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 174.6 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | S659 L660 M661 Q665 N666 V667 | S659-C663 WeakPolarHBondContact O-CB 3.34Å; S659-C663 PolarHBondContact O-N 2.87Å; L660-C663 WeakPolarHBondContact O-CB 3.47Å; L660-C663 PolarHBondContact O-N 3.5Å; M661-C663 VanDerWaalsContact C-N 3.31Å; M661-C663 PolarHBondContact O-N 3.15Å; C663-Q665 PolarHBondContact O-N 2.88Å; C663-N666 PolarHBondContact O-N 3.11Å; C663-V667 WeakPolarHBondContact O-CG2 3.39Å; C663-V667 PolarHBondContact O-N 3.05Å |
| 664 | M | 79.9 | Confident | 81.2 | Confident | 120 Ų | 120 | 105.8 Ų | 105.8 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 178 | -173.3 | -179.4 | 76.8 | 0 | 0 | 112.1 | L660 M661 N666 V667 E668 | L660-M664 WeakPolarHBondContact O-CB 3.48Å; L660-M664 PolarHBondContact O-N 2.89Å; M661-M664 PolarHBondContact O-N 3.47Å; M664-N666 VanDerWaalsContact C-N 3.35Å; M664-N666 PolarHBondContact O-N 2.75Å; M664-V667 PolarHBondContact O-N 3.14Å; M664-E668 PolarHBondContact O-N 2.68Å |
| 665 | Q | 80.7 | Confident | 80.5 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 175.8 | -72.1 | -177.6 | 14.8 | 0 | 0 | 112.7 | M661 D662 C663 E668 L669 | M661-Q665 WeakPolarHBondContact O-CG 3.33Å; M661-Q665 PolarHBondContact O-N 2.86Å; D662-Q665 PolarHBondContact O-N 3Å; C663-Q665 PolarHBondContact O-N 2.88Å; Q665-E668 PolarHBondContact O-N 3.21Å; Q665-L669 WeakPolarHBondContact O-CB 3.43Å; Q665-L669 PolarHBondContact O-N 3.12Å |
| 666 | N | 84.9 | Confident | 79.9 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.2 | -35.4 | 174.3 | -81.7 | -81.2 | 0 | 0 | 0 | 112.3 | D662 C663 M664 K670 | D662-N666 PolarHBondContact O-N 3.18Å; D662-N666 VanDerWaalsContact O-N 3.08Å; D662-N666 PolarHBondContact O-ND2 3.34Å; C663-N666 PolarHBondContact O-N 3.11Å; M664-N666 VanDerWaalsContact C-N 3.35Å; M664-N666 PolarHBondContact O-N 2.75Å; N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.32Å; N666-K670 PolarHBondContact O-N 3.22Å |
| 667 | V | 81.9 | Confident | 79.4 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67 | -46.5 | 173.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | C663 M664 L669 K670 K671 | C663-V667 WeakPolarHBondContact O-CG2 3.39Å; C663-V667 PolarHBondContact O-N 3.05Å; M664-V667 PolarHBondContact O-N 3.14Å; V667-L669 PolarHBondContact O-N 3.3Å; V667-K670 PolarHBondContact O-N 3.37Å; V667-K671 WeakPolarHBondContact O-CB 3.38Å; V667-K671 PolarHBondContact O-N 3Å |
| 668 | E | 72 | Confident | 78.7 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.9 | -156.6 | 76.4 | -124.2 | 0 | 0 | 111.9 | M664 Q665 K670 K671 R672 | M664-E668 PolarHBondContact O-N 2.68Å; Q665-E668 PolarHBondContact O-N 3.21Å; E668-K670 PolarHBondContact O-N 2.93Å; E668-K671 PolarHBondContact O-N 2.79Å; E668-K671 IonicContact OE1-NZ 3.67Å; E668-K671 PolarHBondContact OE1-NZ 3.01Å; E668-R672 PolarHBondContact O-N 3.25Å |
| 669 | L | 83.8 | Confident | 77.6 | Confident | 98 Ų | 98 | 105.8 Ų | 105.8 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 173.8 | -179.4 | 64.9 | 0 | 0 | 0 | 111.8 | Q665 V667 R672 Q673 | Q665-L669 WeakPolarHBondContact O-CB 3.43Å; Q665-L669 PolarHBondContact O-N 3.12Å; V667-L669 PolarHBondContact O-N 3.3Å; L669-R672 PolarHBondContact O-N 2.85Å; L669-Q673 WeakPolarHBondContact O-CG 3.39Å; L669-Q673 PolarHBondContact O-N 3.43Å; L669-Q673 VanDerWaalsContact O-N 3.08Å |
| 670 | K | 82.9 | Confident | 76.6 | Confident | 140 Ų | 140 | 105.7 Ų | 105.7 | 61% | 0.609 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73.6 | -34.2 | -178.6 | -166.7 | 173.9 | -173.9 | -179.3 | 0 | 112.6 | N666 V667 E668 Q673 L674 | N666-K670 VanDerWaalsContact O-CB 3.27Å; N666-K670 WeakPolarHBondContact O-CB 3.32Å; N666-K670 PolarHBondContact O-N 3.22Å; V667-K670 PolarHBondContact O-N 3.37Å; E668-K670 PolarHBondContact O-N 2.93Å; K670-Q673 PolarHBondContact O-N 3.25Å; K670-L674 WeakPolarHBondContact O-CG 3.24Å; K670-L674 PolarHBondContact O-N 3.34Å |
| 671 | K | 74.7 | Confident | 76 | Confident | 98 Ų | 98 | 105.6 Ų | 105.6 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -50.2 | 167.7 | 169.1 | -175.7 | 153.8 | -159.1 | 0 | 110.2 | V667 E668 Q673 L674 E675 | V667-K671 WeakPolarHBondContact O-CB 3.38Å; V667-K671 PolarHBondContact O-N 3Å; E668-K671 PolarHBondContact O-N 2.79Å; E668-K671 IonicContact OE1-NZ 3.67Å; E668-K671 PolarHBondContact OE1-NZ 3.01Å; K671-Q673 VanDerWaalsContact C-N 3.31Å; K671-Q673 PolarHBondContact O-N 3.41Å; K671-L674 WeakPolarHBondContact O-CA 3.48Å; K671-L674 WeakPolarHBondContact O-CB 3.48Å; K671-L674 PolarHBondContact O-N 2.92Å; K671-E675 WeakPolarHBondContact CE-OE1 3.31Å; K671-E675 HydrophobicContact CG-CG 4.44Å; K671-E675 WeakPolarHBondContact O-CG 3.29Å; K671-E675 PolarHBondContact O-N 3.23Å |
| 672 | R | 74.9 | Confident | 75.2 | Confident | 157 Ų | 157 | 104.3 Ų | 104.3 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.6 | -41.2 | 178.7 | -162 | 179.2 | -168.7 | 89.9 | 9.9 | 113 | E668 L669 L674 E675 D676 | E668-R672 PolarHBondContact O-N 3.25Å; L669-R672 PolarHBondContact O-N 2.85Å; R672-L674 VanDerWaalsContact C-N 3.26Å; R672-L674 PolarHBondContact O-N 2.92Å; R672-E675 WeakPolarHBondContact CA-OE2 3.48Å; R672-E675 WeakPolarHBondContact O-CB 3.44Å; R672-E675 PolarHBondContact O-N 3.47Å; R672-D676 PolarHBondContact O-N 2.85Å |
| 673 | Q | 77.6 | Confident | 74.2 | Confident | 106 Ų | 106 | 106 Ų | 106 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -30.2 | 174.3 | -72.1 | 171.7 | -9.4 | 0 | 0 | 113.4 | L669 K670 K671 S677 | L669-Q673 WeakPolarHBondContact O-CG 3.39Å; L669-Q673 PolarHBondContact O-N 3.43Å; L669-Q673 VanDerWaalsContact O-N 3.08Å; K670-Q673 PolarHBondContact O-N 3.25Å; K671-Q673 VanDerWaalsContact C-N 3.31Å; K671-Q673 PolarHBondContact O-N 3.41Å; Q673-S677 WeakPolarHBondContact O-CB 3.5Å; Q673-S677 PolarHBondContact O-N 3.23Å; Q673-S677 PolarHBondContact O-OG 3.04Å |
| 674 | L | 73.4 | Confident | 73.5 | Confident | 115 Ų | 115 | 108 Ų | 108 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.3 | -36.2 | 174.7 | -68.8 | 166.8 | 0 | 0 | 0 | 111.8 | K670 K671 R672 S677 Y678 | K670-L674 WeakPolarHBondContact O-CG 3.24Å; K670-L674 PolarHBondContact O-N 3.34Å; K671-L674 WeakPolarHBondContact O-CA 3.48Å; K671-L674 WeakPolarHBondContact O-CB 3.48Å; K671-L674 PolarHBondContact O-N 2.92Å; R672-L674 VanDerWaalsContact C-N 3.26Å; R672-L674 PolarHBondContact O-N 2.92Å; L674-S677 PolarHBondContact O-N 2.75Å; L674-Y678 WeakPolarHBondContact O-CB 3.49Å; L674-Y678 PolarHBondContact O-N 3.31Å |
| 675 | E | 65.6 | Low | 72.6 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 41% | 0.407 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -53.5 | 170.7 | -66.4 | 166.7 | 160.7 | 0 | 0 | 110.2 | K671 R672 S677 Y678 D679 | K671-E675 WeakPolarHBondContact CE-OE1 3.31Å; K671-E675 HydrophobicContact CG-CG 4.44Å; K671-E675 WeakPolarHBondContact O-CG 3.29Å; K671-E675 PolarHBondContact O-N 3.23Å; R672-E675 WeakPolarHBondContact CA-OE2 3.48Å; R672-E675 WeakPolarHBondContact O-CB 3.44Å; R672-E675 PolarHBondContact O-N 3.47Å; E675-S677 PolarHBondContact O-N 3.32Å; E675-S677 VanDerWaalsContact O-N 3.17Å; E675-Y678 PolarHBondContact O-N 3.19Å; E675-D679 PolarHBondContact O-N 3.48Å; E675-D679 VanDerWaalsContact O-N 3.08Å |
| 676 | D | 72.3 | Confident | 71.6 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55.8 | -34.7 | 175.8 | -62.8 | -33.2 | 0 | 0 | 0 | 112.1 | R672 S680 | R672-D676 PolarHBondContact O-N 2.85Å; D676-S680 PolarHBondContact O-N 3.07Å |
| 677 | S | 75.9 | Confident | 70.3 | Confident | 73 Ų | 73 | 103.7 Ų | 103.7 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.4 | -34.7 | 177.9 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | Q673 L674 E675 L681 | Q673-S677 WeakPolarHBondContact O-CB 3.5Å; Q673-S677 PolarHBondContact O-N 3.23Å; Q673-S677 PolarHBondContact O-OG 3.04Å; L674-S677 PolarHBondContact O-N 2.75Å; E675-S677 PolarHBondContact O-N 3.32Å; E675-S677 VanDerWaalsContact O-N 3.17Å; S677-L681 PolarHBondContact O-N 2.88Å; S677-L681 VanDerWaalsContact O-N 3.16Å |
| 678 | Y | 67.7 | Low | 69.5 | Low | 159 Ų | 159 | 103.4 Ų | 103.4 | 62% | 0.624 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | 178.5 | 176.3 | -92.3 | 0 | 0 | 0 | 111.4 | L674 E675 L681 T682 | L674-Y678 WeakPolarHBondContact O-CB 3.49Å; L674-Y678 PolarHBondContact O-N 3.31Å; E675-Y678 PolarHBondContact O-N 3.19Å; Y678-L681 PolarHBondContact O-N 3.22Å; Y678-T682 WeakPolarHBondContact O-CB 3.37Å; Y678-T682 PolarHBondContact O-N 3.39Å; Y678-T682 PolarHBondContact O-OG1 2.86Å |
| 679 | D | 62.2 | Low | 68.6 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 57% | 0.567 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -45.2 | 176.9 | -73.5 | -8.1 | 0 | 0 | 0 | 110.9 | E675 L681 T682 E683 | E675-D679 PolarHBondContact O-N 3.48Å; E675-D679 VanDerWaalsContact O-N 3.08Å; D679-L681 VanDerWaalsContact C-N 3.34Å; D679-L681 PolarHBondContact O-N 2.93Å; D679-T682 WeakPolarHBondContact O-CB 3.38Å; D679-T682 PolarHBondContact O-N 3.41Å; D679-E683 PolarHBondContact O-N 3.26Å |
| 680 | S | 68.8 | Low | 67 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | D676 T682 E684 | D676-S680 PolarHBondContact O-N 3.07Å; S680-T682 VanDerWaalsContact C-N 3.35Å; S680-E684 PolarHBondContact O-N 3.47Å; S680-E684 VanDerWaalsContact O-N 3.17Å |
| 681 | L | 69.6 | Low | 65.4 | Low | 105 Ų | 105 | 103.6 Ų | 103.6 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.2 | -31.1 | 178.3 | -163.6 | 71.3 | 0 | 0 | 0 | 111.6 | S677 Y678 D679 E684 M685 | S677-L681 PolarHBondContact O-N 2.88Å; S677-L681 VanDerWaalsContact O-N 3.16Å; Y678-L681 PolarHBondContact O-N 3.22Å; D679-L681 VanDerWaalsContact C-N 3.34Å; D679-L681 PolarHBondContact O-N 2.93Å; L681-E684 PolarHBondContact O-N 2.89Å; L681-M685 WeakPolarHBondContact O-CB 3.38Å; L681-M685 VanDerWaalsContact O-CG 3.3Å; L681-M685 WeakPolarHBondContact O-CG 3.44Å; L681-M685 PolarHBondContact O-N 3.42Å |
| 682 | T | 60.6 | Low | 64.1 | Low | 67 Ų | 67 | 104.9 Ų | 104.9 | 41% | 0.411 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | Y678 D679 S680 M685 A686 | Y678-T682 WeakPolarHBondContact O-CB 3.37Å; Y678-T682 PolarHBondContact O-N 3.39Å; Y678-T682 PolarHBondContact O-OG1 2.86Å; D679-T682 WeakPolarHBondContact O-CB 3.38Å; D679-T682 PolarHBondContact O-N 3.41Å; S680-T682 VanDerWaalsContact C-N 3.35Å; T682-M685 PolarHBondContact O-N 3.12Å; T682-A686 PolarHBondContact O-N 3.44Å |
| 683 | E | 64.3 | Low | 62.7 | Low | 130 Ų | 130 | 101.4 Ų | 101.4 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 172.8 | -173.5 | 175.1 | -171 | 0 | 0 | 112 | D679 M685 A686 N687 | D679-E683 PolarHBondContact O-N 3.26Å; E683-M685 PolarHBondContact O-N 2.9Å; E683-A686 PolarHBondContact O-N 2.88Å; E683-N687 PolarHBondContact O-N 2.93Å; E683-N687 PolarHBondContact O-ND2 3.02Å |
| 684 | E | 70.4 | Confident | 60.9 | Low | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.1 | -172.2 | 171.5 | -156.1 | 0 | 0 | 111.6 | S680 L681 A686 N687 L688 | S680-E684 PolarHBondContact O-N 3.47Å; S680-E684 VanDerWaalsContact O-N 3.17Å; L681-E684 PolarHBondContact O-N 2.89Å; E684-A686 VanDerWaalsContact C-N 3.32Å; E684-A686 PolarHBondContact O-N 3.28Å; E684-N687 PolarHBondContact O-N 3.42Å; E684-L688 HydrophobicContact CG-CD1 4.29Å; E684-L688 WeakPolarHBondContact O-CG 3.4Å; E684-L688 PolarHBondContact O-N 2.9Å |
| 685 | M | 60.8 | Low | 59.5 | Low | 95 Ų | 95 | 101.9 Ų | 101.9 | 47% | 0.468 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -33.3 | 175.9 | -75.2 | -69.8 | -71.4 | 0 | 0 | 113.5 | L681 T682 E683 R689 | L681-M685 WeakPolarHBondContact O-CB 3.38Å; L681-M685 VanDerWaalsContact O-CG 3.3Å; L681-M685 WeakPolarHBondContact O-CG 3.44Å; L681-M685 PolarHBondContact O-N 3.42Å; T682-M685 PolarHBondContact O-N 3.12Å; E683-M685 PolarHBondContact O-N 2.9Å; M685-R689 WeakPolarHBondContact O-CD 3.39Å; M685-R689 WeakPolarHBondContact O-CG 3.32Å; M685-R689 PolarHBondContact O-N 2.86Å |
| 686 | A | 60.3 | Low | 58.3 | Low | 60 Ų | 60 | 105 Ų | 105 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T682 E683 E684 R689 A690 | T682-A686 PolarHBondContact O-N 3.44Å; E683-A686 PolarHBondContact O-N 2.88Å; E684-A686 VanDerWaalsContact C-N 3.32Å; E684-A686 PolarHBondContact O-N 3.28Å; A686-R689 PolarHBondContact O-N 3.49Å; A686-A690 PolarHBondContact O-N 3.4Å; A686-A690 VanDerWaalsContact O-N 3.15Å |
| 687 | N | 56.8 | Low | 56.6 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -42.5 | 178.7 | -77.4 | -58.6 | 0 | 0 | 0 | 112.5 | E683 E684 R689 A690 Q691 | E683-N687 PolarHBondContact O-N 2.93Å; E683-N687 PolarHBondContact O-ND2 3.02Å; E684-N687 PolarHBondContact O-N 3.42Å; N687-R689 PolarHBondContact O-N 2.86Å; N687-A690 PolarHBondContact O-N 3.25Å; N687-Q691 PolarHBondContact O-N 3.46Å |
| 688 | L | 65.5 | Low | 54.7 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 46% | 0.461 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.4 | -42.9 | 177.1 | -71.8 | 169.2 | 0 | 0 | 0 | 112.3 | E684 A690 Q691 E692 | E684-L688 HydrophobicContact CG-CD1 4.29Å; E684-L688 WeakPolarHBondContact O-CG 3.4Å; E684-L688 PolarHBondContact O-N 2.9Å; L688-A690 VanDerWaalsContact C-N 3.35Å; L688-A690 PolarHBondContact O-N 2.7Å; L688-Q691 PolarHBondContact O-N 3.39Å; L688-E692 PolarHBondContact O-N 3.38Å |
| 689 | R | 53.2 | Low | 53 | Low | 164 Ų | 164 | 110.9 Ų | 110.9 | 62% | 0.619 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64 | -36.7 | 176.7 | -72.1 | 171.6 | 175.7 | -178.6 | -0.6 | 112.9 | M685 A686 N687 S693 | M685-R689 WeakPolarHBondContact O-CD 3.39Å; M685-R689 WeakPolarHBondContact O-CG 3.32Å; M685-R689 PolarHBondContact O-N 2.86Å; A686-R689 PolarHBondContact O-N 3.49Å; N687-R689 PolarHBondContact O-N 2.86Å; R689-S693 WeakPolarHBondContact O-CB 3.44Å; R689-S693 PolarHBondContact O-N 3.46Å; R689-S693 VanDerWaalsContact O-N 3.15Å; R689-S693 PolarHBondContact O-OG 3.39Å |
| 690 | A | 50.6 | Low | 51.5 | Low | 55 Ų | 55 | 109.1 Ų | 109.1 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A686 N687 L688 S693 M694 | A686-A690 PolarHBondContact O-N 3.4Å; A686-A690 VanDerWaalsContact O-N 3.15Å; N687-A690 PolarHBondContact O-N 3.25Å; L688-A690 VanDerWaalsContact C-N 3.35Å; L688-A690 PolarHBondContact O-N 2.7Å; A690-S693 PolarHBondContact O-N 2.92Å; A690-M694 PolarHBondContact O-N 2.93Å |
| 691 | Q | 49.1 | Very low | 49.7 | Very low | 126 Ų | 126 | 114 Ų | 114 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.5 | -37.3 | 179.4 | -160 | 171.4 | 38.4 | 0 | 0 | 112.6 | N687 L688 S695 | N687-Q691 PolarHBondContact O-N 3.46Å; L688-Q691 PolarHBondContact O-N 3.39Å; Q691-S695 PolarHBondContact O-N 2.9Å; Q691-S695 PolarHBondContact O-OG 2.9Å |
| 692 | E | 46.5 | Very low | 48 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.1 | -41.7 | 172 | -173.1 | 169.2 | -145.9 | 0 | 0 | 111.5 | L688 M694 S695 | L688-E692 PolarHBondContact O-N 3.38Å; E692-M694 PolarHBondContact O-N 3.43Å; E692-S695 PolarHBondContact O-N 3.04Å; E692-S695 VanDerWaalsContact O-N 3.13Å |
| 693 | S | 45.3 | Very low | 46.6 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.1 | -38.5 | 179.1 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | R689 A690 S695 | R689-S693 WeakPolarHBondContact O-CB 3.44Å; R689-S693 PolarHBondContact O-N 3.46Å; R689-S693 VanDerWaalsContact O-N 3.15Å; R689-S693 PolarHBondContact O-OG 3.39Å; A690-S693 PolarHBondContact O-N 2.92Å; S693-S695 VanDerWaalsContact C-N 3.29Å; S693-S695 PolarHBondContact O-N 3.26Å |
| 694 | M | 40.8 | Very low | 45.1 | Very low | 148 Ų | 148 | 117.2 Ų | 117.2 | 73% | 0.729 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.6 | -25.4 | 174.1 | -81.4 | -164.3 | -72.5 | 0 | 0 | 113.4 | A690 E692 Q696 | A690-M694 PolarHBondContact O-N 2.93Å; E692-M694 PolarHBondContact O-N 3.43Å; M694-Q696 VanDerWaalsContact C-N 3.28Å; M694-Q696 PolarHBondContact O-N 3.17Å |
| 695 | S | 42.6 | Very low | 43.6 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -11.4 | -173.5 | -59.7 | 0 | 0 | 0 | 0 | 114 | Q691 E692 S693 | Q691-S695 PolarHBondContact O-N 2.9Å; Q691-S695 PolarHBondContact O-OG 2.9Å; E692-S695 PolarHBondContact O-N 3.04Å; E692-S695 VanDerWaalsContact O-N 3.13Å; S693-S695 VanDerWaalsContact C-N 3.29Å; S693-S695 PolarHBondContact O-N 3.26Å |
| 696 | Q | 41 | Very low | 43 | Very low | 154 Ų | 154 | 116.1 Ų | 116.1 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -6.7 | -175.6 | -62.3 | -173.9 | 14.7 | 0 | 0 | 114.6 | M694 | M694-Q696 VanDerWaalsContact C-N 3.28Å; M694-Q696 PolarHBondContact O-N 3.17Å |
| 697 | M | 36.1 | Very low | 42.1 | Very low | 174 Ų | 174 | 121.1 Ų | 121.1 | 86% | 0.857 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -89.1 | 1.5 | -177 | -74.6 | -167.5 | 176.4 | 0 | 0 | 115.5 | ||
| 698 | T | 36 | Very low | 41.7 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | trans | -129.4 | 94.2 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 699 | N | 31.7 | Very low | 40.8 | Very low | 174 Ų | 174 | 123 Ų | 123 | 93% | 0.93 | 67% | 0.671 | S | S | * | * | trans | 166.5 | 134.9 | 133.3 | -85.3 | -36.2 | 0 | 0 | 0 | 111.8 | ||||
| 700 | G | 31.9 | Very low | 40.4 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -173.3 | 156.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 701 | E | 31.2 | Very low | 40.2 | Very low | 179 Ų | 179 | 120.9 Ų | 120.9 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | trans | 70.6 | 145.5 | 171 | -57.6 | -152.7 | -163 | 0 | 0 | 118.1 | ||||
| 702 | N | 33.3 | Very low | 40.3 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 59% | 0.594 | 67% | 0.67 | S | S | * | * | cis | -165.6 | 150 | -18.6 | -114.8 | -32.2 | 0 | 0 | 0 | 111.9 | ||||
| 703 | N | 31.9 | Very low | 40.4 | Very low | 134 Ų | 134 | 119.3 Ų | 119.3 | 72% | 0.717 | 66% | 0.663 | S | S | * | * | trans | 60.1 | 177.8 | 153 | -69.1 | -44.1 | 0 | 0 | 0 | 117.5 | ||||
| 704 | T | 33.1 | Very low | 40.8 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | cis | -156.7 | 168.1 | -32.5 | 25.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 705 | S | 37.7 | Very low | 41.6 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | cis | -163.2 | 146.2 | -11.8 | 45 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 706 | V | 48.4 | Very low | 42.1 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 53% | 0.533 | 64% | 0.64 | S | S | . | * | trans | 28.5 | 104.2 | 142.7 | -164.9 | 0 | 0 | 0 | 0 | 120.1 | L709 | V706-L709 HydrophobicContact CG1-CB 4.25Å; V706-L709 HydrophobicContact CG1-CD2 4.34Å; V706-L709 HydrophobicContact CG2-CD1 4.26Å; V706-L709 HydrophobicContact CG2-CD2 4.18Å | ||
| 707 | Q | 41.7 | Very low | 42.7 | Very low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 63% | 0.629 | S | S | * | * | S | Bend | -162.6 | -19.8 | 118.1 | -164.8 | 57.7 | 10.6 | 0 | 0 | 113.3 | L709 | Q707-L709 PolarHBondContact O-N 2.7Š| |
| 708 | N | 48.1 | Very low | 43.7 | Very low | 132 Ų | 132 | 113 Ų | 113 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -68.5 | 20.1 | 165.7 | -67.7 | -22.1 | 0 | 0 | 0 | 113.2 | S710 M712 | N708-S710 VanDerWaalsContact C-N 3.34Å; N708-S710 PolarHBondContact O-N 2.82Å; N708-M712 HydrophobicContact CB-CE 4.11Å; N708-M712 WeakPolarHBondContact O-CB 3.43Å |
| 709 | L | 46.5 | Very low | 44.7 | Very low | 92 Ų | 92 | 114.6 Ų | 114.6 | 48% | 0.482 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | 20.4 | -155 | -150.3 | 99.2 | 0 | 0 | 0 | 114.4 | V706 Q707 K713 | V706-L709 HydrophobicContact CG1-CB 4.25Å; V706-L709 HydrophobicContact CG1-CD2 4.34Å; V706-L709 HydrophobicContact CG2-CD1 4.26Å; V706-L709 HydrophobicContact CG2-CD2 4.18Å; Q707-L709 PolarHBondContact O-N 2.7Å; L709-K713 WeakPolarHBondContact O-CB 3.43Å |
| 710 | S | 44 | Very low | 45.7 | Very low | 81 Ų | 81 | 110.1 Ų | 110.1 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -69.6 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110 | N708 K713 R714 | N708-S710 VanDerWaalsContact C-N 3.34Å; N708-S710 PolarHBondContact O-N 2.82Å; S710-K713 WeakPolarHBondContact O-CA 3.31Å; S710-K713 WeakPolarHBondContact O-CB 3.29Å; S710-K713 PolarHBondContact O-N 3.25Å; S710-K713 VanDerWaalsContact O-N 3.08Å; S710-R714 PolarHBondContact O-N 3.34Å |
| 711 | D | 48.3 | Very low | 46.9 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.6 | -34.1 | -177.2 | -60.3 | -82.9 | 0 | 0 | 0 | 112.4 | K713 R714 A715 | D711-K713 VanDerWaalsContact C-N 3.28Å; D711-K713 PolarHBondContact O-N 2.71Å; D711-R714 PolarHBondContact O-N 2.89Å; D711-R714 IonicContact OD1-CZ 2.75Å; D711-R714 IonicContact OD1-NH1 2.85Å; D711-R714 PolarHBondContact OD1-NH1 3.49Å; D711-R714 IonicContact OD1-NH2 2.85Å; D711-R714 PolarHBondContact OD1-NH2 2.87Å; D711-A715 WeakPolarHBondContact O-CB 3.49Å; D711-A715 PolarHBondContact O-N 3.34Å |
| 712 | M | 50.7 | Low | 48.3 | Very low | 117 Ų | 117 | 108 Ų | 108 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.6 | -34.6 | 168 | -167.2 | -176.4 | -66.5 | 0 | 0 | 111.2 | N708 L716 | N708-M712 HydrophobicContact CB-CE 4.11Å; N708-M712 WeakPolarHBondContact O-CB 3.43Å; M712-L716 WeakPolarHBondContact O-CB 3.35Å; M712-L716 PolarHBondContact O-N 3.46Å |
| 713 | K | 49.3 | Very low | 49.4 | Very low | 103 Ų | 103 | 108 Ų | 108 | 45% | 0.448 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.4 | -44.2 | 175.3 | 174.3 | 179.6 | 171.9 | -177.3 | 0 | 111.4 | L709 S710 D711 L716 E717 | L709-K713 WeakPolarHBondContact O-CB 3.43Å; S710-K713 WeakPolarHBondContact O-CA 3.31Å; S710-K713 WeakPolarHBondContact O-CB 3.29Å; S710-K713 PolarHBondContact O-N 3.25Å; S710-K713 VanDerWaalsContact O-N 3.08Å; D711-K713 VanDerWaalsContact C-N 3.28Å; D711-K713 PolarHBondContact O-N 2.71Å; K713-L716 CarbonylContact O-C 3.57Å; K713-L716 PolarHBondContact O-N 2.75Å; K713-E717 VanDerWaalsContact CE-CD 3.45Å; K713-E717 WeakPolarHBondContact CE-OE1 3.33Å; K713-E717 HydrophobicContact CG-CG 4.23Å; K713-E717 IonicContact NZ-OE1 2.78Å; K713-E717 VanDerWaalsContact O-CB 3.29Å; K713-E717 WeakPolarHBondContact O-CB 3.35Å; K713-E717 VanDerWaalsContact O-CG 3.28Å; K713-E717 WeakPolarHBondContact O-CG 3.49Å; K713-E717 PolarHBondContact O-N 2.87Å |
| 714 | R | 53.1 | Low | 50.6 | Low | 136 Ų | 136 | 108.9 Ų | 108.9 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -47.3 | 175.8 | -176.7 | 177.4 | 61.8 | -120.9 | -16.1 | 111.6 | S710 D711 L716 E717 E718 | S710-R714 PolarHBondContact O-N 3.34Å; D711-R714 PolarHBondContact O-N 2.89Å; D711-R714 IonicContact OD1-CZ 2.75Å; D711-R714 IonicContact OD1-NH1 2.85Å; D711-R714 PolarHBondContact OD1-NH1 3.49Å; D711-R714 IonicContact OD1-NH2 2.85Å; D711-R714 PolarHBondContact OD1-NH2 2.87Å; R714-L716 VanDerWaalsContact C-N 3.35Å; R714-L716 PolarHBondContact O-N 2.72Å; R714-E717 PolarHBondContact O-N 3.31Å; R714-E718 PolarHBondContact O-N 2.91Å |
| 715 | A | 57.4 | Low | 51.9 | Low | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D711 E718 Q719 | D711-A715 WeakPolarHBondContact O-CB 3.49Å; D711-A715 PolarHBondContact O-N 3.34Å; A715-E718 PolarHBondContact O-N 3.05Å; A715-Q719 WeakPolarHBondContact O-CB 3.34Å; A715-Q719 PolarHBondContact O-N 2.93Å |
| 716 | L | 52.8 | Low | 53.1 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 44% | 0.44 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -34.1 | 174.3 | -174.8 | 65.8 | 0 | 0 | 0 | 111.9 | M712 K713 R714 Q719 M720 | M712-L716 WeakPolarHBondContact O-CB 3.35Å; M712-L716 PolarHBondContact O-N 3.46Å; K713-L716 CarbonylContact O-C 3.57Å; K713-L716 PolarHBondContact O-N 2.75Å; R714-L716 VanDerWaalsContact C-N 3.35Å; R714-L716 PolarHBondContact O-N 2.72Å; L716-Q719 PolarHBondContact O-N 3.47Å; L716-M720 HydrophobicContact CD1-CG 4.02Å; L716-M720 HydrophobicContact CD1-SD 4.33Å; L716-M720 HydrophobicContact CD2-SD 4.34Å; L716-M720 HydrophobicContact CG-CG 4.06Å; L716-M720 HydrophobicContact CG-SD 3.91Å; L716-M720 WeakPolarHBondContact O-CA 3.37Å; L716-M720 WeakPolarHBondContact O-CB 3.44Å; L716-M720 WeakPolarHBondContact O-CG 3.27Å; L716-M720 PolarHBondContact O-N 2.83Å |
| 717 | E | 52.5 | Low | 53.7 | Low | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | 174.5 | -80.3 | 174.6 | 159.3 | 0 | 0 | 111.4 | K713 R714 K721 | K713-E717 VanDerWaalsContact CE-CD 3.45Å; K713-E717 WeakPolarHBondContact CE-OE1 3.33Å; K713-E717 HydrophobicContact CG-CG 4.23Å; K713-E717 IonicContact NZ-OE1 2.78Å; K713-E717 VanDerWaalsContact O-CB 3.29Å; K713-E717 WeakPolarHBondContact O-CB 3.35Å; K713-E717 VanDerWaalsContact O-CG 3.28Å; K713-E717 WeakPolarHBondContact O-CG 3.49Å; K713-E717 PolarHBondContact O-N 2.87Å; R714-E717 PolarHBondContact O-N 3.31Å; E717-K721 WeakPolarHBondContact O-CB 3.39Å; E717-K721 PolarHBondContact O-N 2.95Å |
| 718 | E | 58.7 | Low | 54.6 | Low | 133 Ų | 133 | 100.9 Ų | 100.9 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.9 | -44 | 171.9 | -71.6 | -179.6 | 150.1 | 0 | 0 | 111.9 | R714 A715 K721 S722 | R714-E718 PolarHBondContact O-N 2.91Å; A715-E718 PolarHBondContact O-N 3.05Å; E718-K721 PolarHBondContact O-N 3.45Å; E718-S722 WeakPolarHBondContact O-CB 3.29Å; E718-S722 PolarHBondContact O-N 3Å |
| 719 | Q | 55.5 | Low | 55.8 | Low | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 176.4 | -166.7 | -176.5 | 14.3 | 0 | 0 | 111.8 | A715 L716 K721 S722 H723 | A715-Q719 WeakPolarHBondContact O-CB 3.34Å; A715-Q719 PolarHBondContact O-N 2.93Å; L716-Q719 PolarHBondContact O-N 3.47Å; Q719-K721 VanDerWaalsContact C-N 3.33Å; Q719-S722 PolarHBondContact O-N 3.22Å; Q719-H723 VanDerWaalsContact O-CB 3.26Å; Q719-H723 WeakPolarHBondContact O-CB 3.32Å; Q719-H723 PolarHBondContact O-N 3.5Å |
| 720 | M | 52.9 | Low | 56.8 | Low | 81 Ų | 81 | 102.5 Ų | 102.5 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 174.3 | -73.8 | -178.8 | 83.8 | 0 | 0 | 111.7 | L716 R724 | L716-M720 HydrophobicContact CD1-CG 4.02Å; L716-M720 HydrophobicContact CD1-SD 4.33Å; L716-M720 HydrophobicContact CD2-SD 4.34Å; L716-M720 HydrophobicContact CG-CG 4.06Å; L716-M720 HydrophobicContact CG-SD 3.91Å; L716-M720 WeakPolarHBondContact O-CA 3.37Å; L716-M720 WeakPolarHBondContact O-CB 3.44Å; L716-M720 WeakPolarHBondContact O-CG 3.27Å; L716-M720 PolarHBondContact O-N 2.83Å; M720-R724 WeakPolarHBondContact O-CB 3.48Å; M720-R724 WeakPolarHBondContact O-CD 3.31Å; M720-R724 WeakPolarHBondContact O-CG 3.29Å; M720-R724 PolarHBondContact O-N 3.06Å |
| 721 | K | 57.3 | Low | 57.6 | Low | 126 Ų | 126 | 103.2 Ų | 103.2 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -47.4 | 171.8 | -178.6 | 179.1 | 173 | -174.3 | 0 | 110.5 | E717 E718 Q719 H723 R724 E725 | E717-K721 WeakPolarHBondContact O-CB 3.39Å; E717-K721 PolarHBondContact O-N 2.95Å; E718-K721 PolarHBondContact O-N 3.45Å; Q719-K721 VanDerWaalsContact C-N 3.33Å; K721-H723 VanDerWaalsContact C-N 3.32Å; K721-H723 PolarHBondContact O-N 3.08Å; K721-R724 PolarHBondContact O-N 3.37Å; K721-E725 WeakPolarHBondContact CE-OE1 3.5Å; K721-E725 WeakPolarHBondContact O-CB 3.16Å; K721-E725 WeakPolarHBondContact O-CG 3.3Å; K721-E725 PolarHBondContact O-N 2.89Å |
| 722 | S | 60.3 | Low | 58.8 | Low | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | E718 Q719 E725 A726 | E718-S722 WeakPolarHBondContact O-CB 3.29Å; E718-S722 PolarHBondContact O-N 3Å; Q719-S722 PolarHBondContact O-N 3.22Å; S722-E725 PolarHBondContact O-N 3.08Å; S722-A726 WeakPolarHBondContact O-CB 3.46Å; S722-A726 PolarHBondContact O-N 3.28Å |
| 723 | H | 57.3 | Low | 60 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 177.6 | -159.3 | -80.2 | 0 | 0 | 0 | 112.3 | Q719 K721 A726 Q727 | Q719-H723 VanDerWaalsContact O-CB 3.26Å; Q719-H723 WeakPolarHBondContact O-CB 3.32Å; Q719-H723 PolarHBondContact O-N 3.5Å; K721-H723 VanDerWaalsContact C-N 3.32Å; K721-H723 PolarHBondContact O-N 3.08Å; H723-A726 PolarHBondContact O-N 2.86Å; H723-Q727 VanDerWaalsContact CE1-CD 3.41Å; H723-Q727 PolarHBondContact ND1-OE1 3.5Å; H723-Q727 VanDerWaalsContact O-CB 3.3Å; H723-Q727 WeakPolarHBondContact O-CB 3.4Å; H723-Q727 VanDerWaalsContact O-CG 3.3Å; H723-Q727 WeakPolarHBondContact O-CG 3.43Å; H723-Q727 PolarHBondContact O-N 3.41Å; H723-Q727 PolarHBondContact O-OE1 3.03Å |
| 724 | R | 56.4 | Low | 61 | Low | 152 Ų | 152 | 102.3 Ų | 102.3 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -37.7 | 172.1 | -77.4 | 165.9 | 177.3 | 154.6 | -2.5 | 112 | M720 K721 S728 | M720-R724 WeakPolarHBondContact O-CB 3.48Å; M720-R724 WeakPolarHBondContact O-CD 3.31Å; M720-R724 WeakPolarHBondContact O-CG 3.29Å; M720-R724 PolarHBondContact O-N 3.06Å; K721-R724 PolarHBondContact O-N 3.37Å; R724-S728 WeakPolarHBondContact O-CA 3.5Å; R724-S728 WeakPolarHBondContact O-CB 3.47Å; R724-S728 PolarHBondContact O-N 3.35Å |
| 725 | E | 60.7 | Low | 62 | Low | 85 Ų | 85 | 104 Ų | 104 | 40% | 0.397 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -37 | 174 | -75.6 | -179.1 | -152.5 | 0 | 0 | 111.9 | K721 S722 K729 | K721-E725 WeakPolarHBondContact CE-OE1 3.5Å; K721-E725 WeakPolarHBondContact O-CB 3.16Å; K721-E725 WeakPolarHBondContact O-CG 3.3Å; K721-E725 PolarHBondContact O-N 2.89Å; S722-E725 PolarHBondContact O-N 3.08Å; E725-K729 WeakPolarHBondContact O-CB 3.34Å; E725-K729 WeakPolarHBondContact O-CD 3.32Å; E725-K729 VanDerWaalsContact O-CG 3.23Å; E725-K729 WeakPolarHBondContact O-CG 3.41Å; E725-K729 PolarHBondContact O-N 2.84Å; E725-K729 IonicContact OE2-NZ 3.44Å |
| 726 | A | 63.3 | Low | 63.2 | Low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -49.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S722 H723 S728 K729 Q730 | S722-A726 WeakPolarHBondContact O-CB 3.46Å; S722-A726 PolarHBondContact O-N 3.28Å; H723-A726 PolarHBondContact O-N 2.86Å; A726-S728 VanDerWaalsContact C-N 3.33Å; A726-S728 PolarHBondContact O-N 3.08Å; A726-K729 PolarHBondContact O-N 2.63Å; A726-Q730 WeakPolarHBondContact O-CB 3.39Å; A726-Q730 PolarHBondContact O-N 2.73Å |
| 727 | Q | 60.9 | Low | 64.6 | Low | 91 Ų | 91 | 107.2 Ų | 107.2 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.1 | -74.9 | 175.7 | -57.4 | 0 | 0 | 111.8 | H723 Q730 L731 | H723-Q727 VanDerWaalsContact CE1-CD 3.41Å; H723-Q727 PolarHBondContact ND1-OE1 3.5Å; H723-Q727 VanDerWaalsContact O-CB 3.3Å; H723-Q727 WeakPolarHBondContact O-CB 3.4Å; H723-Q727 VanDerWaalsContact O-CG 3.3Å; H723-Q727 WeakPolarHBondContact O-CG 3.43Å; H723-Q727 PolarHBondContact O-N 3.41Å; H723-Q727 PolarHBondContact O-OE1 3.03Å; Q727-Q730 PolarHBondContact O-N 3.01Å; Q727-L731 VanDerWaalsContact O-CB 3.27Å; Q727-L731 WeakPolarHBondContact O-CB 3.28Å; Q727-L731 WeakPolarHBondContact O-CG 3.44Å; Q727-L731 PolarHBondContact O-N 3.05Å |
| 728 | S | 61.6 | Low | 65.9 | Low | 79 Ų | 79 | 107.6 Ų | 107.6 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 175 | 177 | 0 | 0 | 0 | 0 | 111.9 | R724 A726 G732 | R724-S728 WeakPolarHBondContact O-CA 3.5Å; R724-S728 WeakPolarHBondContact O-CB 3.47Å; R724-S728 PolarHBondContact O-N 3.35Å; A726-S728 VanDerWaalsContact C-N 3.33Å; A726-S728 PolarHBondContact O-N 3.08Å; S728-G732 PolarHBondContact O-N 3.39Å |
| 729 | K | 71.4 | Confident | 66.9 | Low | 133 Ų | 133 | 106.2 Ų | 106.2 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -35.5 | 173.4 | -73.5 | 162.9 | -175.4 | 160.4 | 0 | 112.3 | E725 A726 G732 R733 | E725-K729 WeakPolarHBondContact O-CB 3.34Å; E725-K729 WeakPolarHBondContact O-CD 3.32Å; E725-K729 VanDerWaalsContact O-CG 3.23Å; E725-K729 WeakPolarHBondContact O-CG 3.41Å; E725-K729 PolarHBondContact O-N 2.84Å; E725-K729 IonicContact OE2-NZ 3.44Å; A726-K729 PolarHBondContact O-N 2.63Å; K729-G732 PolarHBondContact O-N 3.07Å; K729-R733 WeakPolarHBondContact O-CG 3.29Å; K729-R733 PolarHBondContact O-N 3.4Å |
| 730 | Q | 68.4 | Low | 68.4 | Low | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.6 | -43.4 | 176.2 | -172.5 | 171.6 | -4.7 | 0 | 0 | 111.6 | A726 Q727 G732 R733 L734 | A726-Q730 WeakPolarHBondContact O-CB 3.39Å; A726-Q730 PolarHBondContact O-N 2.73Å; Q727-Q730 PolarHBondContact O-N 3.01Å; Q730-G732 VanDerWaalsContact C-N 3.29Å; Q730-G732 PolarHBondContact O-N 3.5Å; Q730-R733 PolarHBondContact O-N 3.46Å; Q730-L734 HydrophobicContact CG-CD1 4.18Å; Q730-L734 WeakPolarHBondContact O-CB 3.46Å; Q730-L734 VanDerWaalsContact O-CG 3.29Å; Q730-L734 WeakPolarHBondContact O-CG 3.33Å; Q730-L734 PolarHBondContact O-N 3.47Å |
| 731 | L | 61.7 | Low | 70 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 171.5 | -72.5 | 167.9 | 0 | 0 | 0 | 112.2 | Q727 R735 | Q727-L731 VanDerWaalsContact O-CB 3.27Å; Q727-L731 WeakPolarHBondContact O-CB 3.28Å; Q727-L731 WeakPolarHBondContact O-CG 3.44Å; Q727-L731 PolarHBondContact O-N 3.05Å; L731-R735 WeakPolarHBondContact O-CB 3.19Å; L731-R735 WeakPolarHBondContact O-CD 3.39Å; L731-R735 WeakPolarHBondContact O-CG 3.29Å; L731-R735 PolarHBondContact O-N 3.32Å |
| 732 | G | 72.6 | Confident | 71 | Confident | 25 Ų | 25 | 106.3 Ų | 106.3 | 26% | 0.258 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -59.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | S728 K729 Q730 L734 R735 D736 | S728-G732 PolarHBondContact O-N 3.39Å; K729-G732 PolarHBondContact O-N 3.07Å; Q730-G732 VanDerWaalsContact C-N 3.29Å; Q730-G732 PolarHBondContact O-N 3.5Å; G732-L734 VanDerWaalsContact C-N 3.29Å; G732-L734 PolarHBondContact O-N 2.44Å; G732-R735 WeakPolarHBondContact O-CA 3.45Å; G732-R735 WeakPolarHBondContact O-CB 2.98Å; G732-R735 PolarHBondContact O-N 3.35Å; G732-D736 VanDerWaalsContact O-CG 3.25Å; G732-D736 PolarHBondContact O-N 2.92Å |
| 733 | R | 75.6 | Confident | 72.3 | Confident | 189 Ų | 189 | 107.7 Ų | 107.7 | 71% | 0.713 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54.9 | -41.8 | 177.3 | -70.9 | 175.3 | -178.7 | -169.9 | -0.9 | 113.4 | K729 Q730 R735 D736 E737 | K729-R733 WeakPolarHBondContact O-CG 3.29Å; K729-R733 PolarHBondContact O-N 3.4Å; Q730-R733 PolarHBondContact O-N 3.46Å; R733-R735 VanDerWaalsContact C-N 3.34Å; R733-D736 PolarHBondContact O-N 3.46Å; R733-E737 WeakPolarHBondContact O-CB 3.4Å; R733-E737 PolarHBondContact O-N 2.96Å |
| 734 | L | 71.6 | Confident | 73.8 | Confident | 80 Ų | 80 | 105.6 Ų | 105.6 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -34 | 177.4 | -72.3 | 168.6 | 0 | 0 | 0 | 112 | Q730 G732 I738 | Q730-L734 HydrophobicContact CG-CD1 4.18Å; Q730-L734 WeakPolarHBondContact O-CB 3.46Å; Q730-L734 VanDerWaalsContact O-CG 3.29Å; Q730-L734 WeakPolarHBondContact O-CG 3.33Å; Q730-L734 PolarHBondContact O-N 3.47Å; G732-L734 VanDerWaalsContact C-N 3.29Å; G732-L734 PolarHBondContact O-N 2.44Å; L734-I738 VanDerWaalsContact O-CB 3.29Å; L734-I738 WeakPolarHBondContact O-CB 3.48Å; L734-I738 WeakPolarHBondContact O-CD1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.2Å; L734-I738 PolarHBondContact O-N 3.14Å |
| 735 | R | 73.6 | Confident | 75.1 | Confident | 171 Ų | 171 | 102.5 Ų | 102.5 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.3 | -42.2 | 171.6 | -74.4 | 166.8 | 177.9 | -163.9 | -2.6 | 111.9 | L731 G732 R733 E737 I738 N739 | L731-R735 WeakPolarHBondContact O-CB 3.19Å; L731-R735 WeakPolarHBondContact O-CD 3.39Å; L731-R735 WeakPolarHBondContact O-CG 3.29Å; L731-R735 PolarHBondContact O-N 3.32Å; G732-R735 WeakPolarHBondContact O-CA 3.45Å; G732-R735 WeakPolarHBondContact O-CB 2.98Å; G732-R735 PolarHBondContact O-N 3.35Å; R733-R735 VanDerWaalsContact C-N 3.34Å; R735-E737 VanDerWaalsContact C-N 3.32Å; R735-I738 PolarHBondContact O-N 3.02Å; R735-N739 WeakPolarHBondContact O-CB 3.4Å; R735-N739 PolarHBondContact O-N 3.41Å; R735-N739 PolarHBondContact O-ND2 3.12Å |
| 736 | D | 81.6 | Confident | 76.2 | Confident | 101 Ų | 101 | 102 Ų | 102 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.8 | -58.3 | -32.8 | 0 | 0 | 0 | 110.5 | G732 R733 N739 E740 | G732-D736 VanDerWaalsContact O-CG 3.25Å; G732-D736 PolarHBondContact O-N 2.92Å; R733-D736 PolarHBondContact O-N 3.46Å; D736-N739 PolarHBondContact O-N 3.06Å; D736-E740 PolarHBondContact O-N 2.86Å |
| 737 | E | 83.3 | Confident | 77.5 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 174.3 | -175.2 | 168.4 | -166.7 | 0 | 0 | 112.2 | R733 R735 N739 E740 K741 | R733-E737 WeakPolarHBondContact O-CB 3.4Å; R733-E737 PolarHBondContact O-N 2.96Å; R735-E737 VanDerWaalsContact C-N 3.32Å; E737-N739 VanDerWaalsContact C-N 3.28Å; E737-N739 PolarHBondContact O-N 3.5Å; E737-E740 PolarHBondContact O-N 3.49Å; E737-K741 HydrophobicContact CG-CG 4.42Å; E737-K741 WeakPolarHBondContact O-CB 3.29Å; E737-K741 VanDerWaalsContact O-CG 3.25Å; E737-K741 WeakPolarHBondContact O-CG 3.5Å; E737-K741 PolarHBondContact O-N 2.94Å |
| 738 | I | 79.4 | Confident | 78.7 | Confident | 109 Ų | 109 | 104.8 Ų | 104.8 | 56% | 0.559 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -40 | 173.2 | -75.3 | 163.6 | 0 | 0 | 0 | 111 | L734 R735 K741 Q742 | L734-I738 VanDerWaalsContact O-CB 3.29Å; L734-I738 WeakPolarHBondContact O-CB 3.48Å; L734-I738 WeakPolarHBondContact O-CD1 3.29Å; L734-I738 WeakPolarHBondContact O-CG1 3.2Å; L734-I738 PolarHBondContact O-N 3.14Å; R735-I738 PolarHBondContact O-N 3.02Å; I738-K741 PolarHBondContact O-N 3.41Å; I738-Q742 WeakPolarHBondContact O-CB 3.49Å; I738-Q742 PolarHBondContact O-N 3.1Å |
| 739 | N | 79.8 | Confident | 79.7 | Confident | 103 Ų | 103 | 103.9 Ų | 103.9 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 177.1 | -68.8 | -26.6 | 0 | 0 | 0 | 112.3 | R735 D736 E737 Q742 K743 | R735-N739 WeakPolarHBondContact O-CB 3.4Å; R735-N739 PolarHBondContact O-N 3.41Å; R735-N739 PolarHBondContact O-ND2 3.12Å; D736-N739 PolarHBondContact O-N 3.06Å; E737-N739 VanDerWaalsContact C-N 3.28Å; E737-N739 PolarHBondContact O-N 3.5Å; N739-Q742 PolarHBondContact O-N 3.21Å; N739-K743 WeakPolarHBondContact O-CB 3.33Å; N739-K743 PolarHBondContact O-N 3.06Å |
| 740 | E | 86.9 | Confident | 80.5 | Confident | 126 Ų | 126 | 102.9 Ų | 102.9 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 172.7 | -82.2 | -88.4 | 110.3 | 0 | 0 | 111.7 | D736 E737 T744 | D736-E740 PolarHBondContact O-N 2.86Å; E737-E740 PolarHBondContact O-N 3.49Å; E740-T744 PolarHBondContact O-N 2.86Å; E740-T744 PolarHBondContact O-OG1 3.01Å |
| 741 | K | 85.4 | Confident | 81.5 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 175.7 | -66 | -63 | 178.2 | -175.5 | 0 | 111.7 | E737 I738 T744 I745 | E737-K741 HydrophobicContact CG-CG 4.42Å; E737-K741 WeakPolarHBondContact O-CB 3.29Å; E737-K741 VanDerWaalsContact O-CG 3.25Å; E737-K741 WeakPolarHBondContact O-CG 3.5Å; E737-K741 PolarHBondContact O-N 2.94Å; I738-K741 PolarHBondContact O-N 3.41Å; K741-T744 WeakPolarHBondContact O-CB 3.31Å; K741-T744 PolarHBondContact O-N 3.46Å; K741-I745 WeakPolarHBondContact O-CG1 3.45Å; K741-I745 PolarHBondContact O-N 3.38Å |
| 742 | Q | 78.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 102.1 Ų | 102.1 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -50.1 | 175.9 | -174.1 | 60 | 55.6 | 0 | 0 | 110.6 | I738 N739 T744 I745 D746 | I738-Q742 WeakPolarHBondContact O-CB 3.49Å; I738-Q742 PolarHBondContact O-N 3.1Å; N739-Q742 PolarHBondContact O-N 3.21Å; Q742-T744 PolarHBondContact O-N 3.49Å; Q742-I745 CarbonylContact O-C 3.57Å; Q742-I745 WeakPolarHBondContact O-CA 3.34Å; Q742-I745 WeakPolarHBondContact O-CB 3.47Å; Q742-I745 PolarHBondContact O-N 3.18Å; Q742-D746 PolarHBondContact NE2-OD1 3.28Å; Q742-D746 PolarHBondContact O-N 2.96Å |
| 743 | K | 89.3 | Confident | 83.1 | Confident | 107 Ų | 107 | 106.4 Ų | 106.4 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.6 | -37.1 | 175 | 179.8 | 176.4 | 173.2 | -72.5 | 0 | 112.7 | N739 D746 E747 | N739-K743 WeakPolarHBondContact O-CB 3.33Å; N739-K743 PolarHBondContact O-N 3.06Å; K743-D746 PolarHBondContact O-N 3.38Å; K743-E747 WeakPolarHBondContact CE-OE1 3.34Å; K743-E747 IonicContact NZ-OE1 3.37Å; K743-E747 PolarHBondContact NZ-OE1 2.88Å; K743-E747 WeakPolarHBondContact O-CB 3.33Å; K743-E747 WeakPolarHBondContact O-CG 3.33Å; K743-E747 PolarHBondContact O-N 3.35Å |
| 744 | T | 88 | Confident | 83.8 | Confident | 66 Ų | 66 | 104.1 Ų | 104.1 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | E740 K741 Q742 L748 | E740-T744 PolarHBondContact O-N 2.86Å; E740-T744 PolarHBondContact O-OG1 3.01Å; K741-T744 WeakPolarHBondContact O-CB 3.31Å; K741-T744 PolarHBondContact O-N 3.46Å; Q742-T744 PolarHBondContact O-N 3.49Å; T744-L748 HydrophobicContact CG2-CD1 4.12Å; T744-L748 WeakPolarHBondContact O-CB 3.36Å; T744-L748 VanDerWaalsContact O-CG 3.23Å; T744-L748 WeakPolarHBondContact O-CG 3.49Å; T744-L748 PolarHBondContact O-N 3.47Å |
| 745 | I | 83.6 | Confident | 84.4 | Confident | 88 Ų | 88 | 104.6 Ų | 104.6 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 174.3 | -69.4 | 161.8 | 0 | 0 | 0 | 110.5 | K741 Q742 L748 T749 | K741-I745 WeakPolarHBondContact O-CG1 3.45Å; K741-I745 PolarHBondContact O-N 3.38Å; Q742-I745 CarbonylContact O-C 3.57Å; Q742-I745 WeakPolarHBondContact O-CA 3.34Å; Q742-I745 WeakPolarHBondContact O-CB 3.47Å; Q742-I745 PolarHBondContact O-N 3.18Å; I745-L748 PolarHBondContact O-N 3.46Å; I745-T749 WeakPolarHBondContact O-CB 3.34Å; I745-T749 PolarHBondContact O-N 3.42Å; I745-T749 PolarHBondContact O-OG1 2.86Å |
| 746 | D | 84 | Confident | 84.8 | Confident | 75 Ų | 75 | 102.1 Ų | 102.1 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -50 | 177.5 | -54 | -26.6 | 0 | 0 | 0 | 110.4 | Q742 K743 L748 T749 D750 | Q742-D746 PolarHBondContact NE2-OD1 3.28Å; Q742-D746 PolarHBondContact O-N 2.96Å; K743-D746 PolarHBondContact O-N 3.38Å; D746-L748 VanDerWaalsContact C-N 3.31Å; D746-L748 PolarHBondContact O-N 3.14Å; D746-T749 WeakPolarHBondContact O-CB 3.44Å; D746-T749 PolarHBondContact O-N 2.88Å; D746-D750 PolarHBondContact O-N 3.24Å |
| 747 | E | 90.7 | Very high | 85.1 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 175.9 | -75 | 175.5 | -162.9 | 0 | 0 | 113 | K743 F751 | K743-E747 WeakPolarHBondContact CE-OE1 3.34Å; K743-E747 IonicContact NZ-OE1 3.37Å; K743-E747 PolarHBondContact NZ-OE1 2.88Å; K743-E747 WeakPolarHBondContact O-CB 3.33Å; K743-E747 WeakPolarHBondContact O-CG 3.33Å; K743-E747 PolarHBondContact O-N 3.35Å; E747-F751 WeakPolarHBondContact O-CB 3.47Å; E747-F751 PolarHBondContact O-N 3.23Å |
| 748 | L | 85.3 | Confident | 85.3 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.6 | -28.2 | 173.9 | -73.8 | 170.2 | 0 | 0 | 0 | 112.8 | T744 I745 D746 N752 | T744-L748 HydrophobicContact CG2-CD1 4.12Å; T744-L748 WeakPolarHBondContact O-CB 3.36Å; T744-L748 VanDerWaalsContact O-CG 3.23Å; T744-L748 WeakPolarHBondContact O-CG 3.49Å; T744-L748 PolarHBondContact O-N 3.47Å; I745-L748 PolarHBondContact O-N 3.46Å; D746-L748 VanDerWaalsContact C-N 3.31Å; D746-L748 PolarHBondContact O-N 3.14Å; L748-N752 PolarHBondContact O-N 2.89Å; L748-N752 PolarHBondContact O-ND2 2.88Å |
| 749 | T | 82.6 | Confident | 85.4 | Confident | 61 Ų | 61 | 104.2 Ų | 104.2 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.4 | -48.1 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 110.3 | I745 D746 F751 N752 Q753 | I745-T749 WeakPolarHBondContact O-CB 3.34Å; I745-T749 PolarHBondContact O-N 3.42Å; I745-T749 PolarHBondContact O-OG1 2.86Å; D746-T749 WeakPolarHBondContact O-CB 3.44Å; D746-T749 PolarHBondContact O-N 2.88Å; T749-F751 VanDerWaalsContact C-N 3.26Å; T749-F751 PolarHBondContact O-N 3.38Å; T749-N752 PolarHBondContact O-N 3Å; T749-Q753 WeakPolarHBondContact O-CG 3.44Å; T749-Q753 PolarHBondContact O-N 3.33Å |
| 750 | D | 87.8 | Confident | 85.7 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.7 | -41 | 172.6 | -80.2 | 2.1 | 0 | 0 | 0 | 111.5 | D746 K754 | D746-D750 PolarHBondContact O-N 3.24Å; D750-K754 WeakPolarHBondContact O-CB 3.49Å; D750-K754 PolarHBondContact O-N 3.24Å |
| 751 | F | 90.1 | Very high | 85.8 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 177.6 | -171.5 | -99.9 | 0 | 0 | 0 | 112.7 | E747 T749 K754 Q755 | E747-F751 WeakPolarHBondContact O-CB 3.47Å; E747-F751 PolarHBondContact O-N 3.23Å; T749-F751 VanDerWaalsContact C-N 3.26Å; T749-F751 PolarHBondContact O-N 3.38Å; F751-K754 PolarHBondContact O-N 2.89Å; F751-Q755 HydrophobicContact CD1-CG 4.43Å; F751-Q755 HydrophobicContact CE1-CG 4.08Å; F751-Q755 VanDerWaalsContact CE1-NE2 3.3Å; F751-Q755 HydrophobicContact CZ-CG 4.35Å; F751-Q755 PolarHBondContact O-N 3.47Å |
| 752 | N | 81.1 | Confident | 85.7 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 174.6 | -86.4 | -81 | 0 | 0 | 0 | 111.8 | L748 T749 K754 Q755 Q756 | L748-N752 PolarHBondContact O-N 2.89Å; L748-N752 PolarHBondContact O-ND2 2.88Å; T749-N752 PolarHBondContact O-N 3Å; N752-K754 VanDerWaalsContact C-N 3.26Å; N752-K754 PolarHBondContact O-N 3.26Å; N752-Q755 PolarHBondContact O-N 2.96Å; N752-Q755 VanDerWaalsContact O-N 3.14Å; N752-Q756 WeakPolarHBondContact O-CB 3.3Å; N752-Q756 PolarHBondContact O-N 3.1Å |
| 753 | Q | 86.9 | Confident | 85.9 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.7 | -42.3 | 175.6 | -71.8 | -178 | 20.8 | 0 | 0 | 111.3 | T749 Q756 L757 | T749-Q753 WeakPolarHBondContact O-CG 3.44Å; T749-Q753 PolarHBondContact O-N 3.33Å; Q753-Q756 PolarHBondContact O-N 2.91Å; Q753-L757 WeakPolarHBondContact O-CG 3.41Å; Q753-L757 PolarHBondContact O-N 2.95Å |
| 754 | K | 89.9 | Confident | 85.7 | Confident | 140 Ų | 140 | 104.2 Ų | 104.2 | 61% | 0.609 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 175.7 | -174 | 179.1 | 176.3 | -175.9 | 0 | 112.7 | D750 F751 N752 Q756 L757 E758 | D750-K754 WeakPolarHBondContact O-CB 3.49Å; D750-K754 PolarHBondContact O-N 3.24Å; F751-K754 PolarHBondContact O-N 2.89Å; N752-K754 VanDerWaalsContact C-N 3.26Å; N752-K754 PolarHBondContact O-N 3.26Å; K754-Q756 VanDerWaalsContact C-N 3.3Å; K754-Q756 PolarHBondContact O-N 2.89Å; K754-L757 PolarHBondContact O-N 2.71Å; K754-E758 PolarHBondContact O-N 2.8Å |
| 755 | Q | 84.6 | Confident | 85.4 | Confident | 91 Ų | 91 | 105.2 Ų | 105.2 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 175.5 | -74.6 | -163.8 | -24.3 | 0 | 0 | 112.2 | F751 N752 E758 L759 | F751-Q755 HydrophobicContact CD1-CG 4.43Å; F751-Q755 HydrophobicContact CE1-CG 4.08Å; F751-Q755 VanDerWaalsContact CE1-NE2 3.3Å; F751-Q755 HydrophobicContact CZ-CG 4.35Å; F751-Q755 PolarHBondContact O-N 3.47Å; N752-Q755 PolarHBondContact O-N 2.96Å; N752-Q755 VanDerWaalsContact O-N 3.14Å; Q755-E758 PolarHBondContact O-N 2.88Å; Q755-L759 WeakPolarHBondContact O-CB 3.29Å; Q755-L759 WeakPolarHBondContact O-CG 3.33Å; Q755-L759 PolarHBondContact O-N 2.95Å |
| 756 | Q | 80.9 | Confident | 85.5 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -41.3 | 178.6 | -170 | 162.7 | -22.3 | 0 | 0 | 111.8 | N752 Q753 K754 E758 L759 E760 | N752-Q756 WeakPolarHBondContact O-CB 3.3Å; N752-Q756 PolarHBondContact O-N 3.1Å; Q753-Q756 PolarHBondContact O-N 2.91Å; K754-Q756 VanDerWaalsContact C-N 3.3Å; K754-Q756 PolarHBondContact O-N 2.89Å; Q756-E758 VanDerWaalsContact C-N 3.33Å; Q756-E758 PolarHBondContact O-N 2.73Å; Q756-L759 PolarHBondContact O-N 3.37Å; Q756-E760 WeakPolarHBondContact O-CG 3.49Å; Q756-E760 PolarHBondContact O-N 3.19Å |
| 757 | L | 88.5 | Confident | 85.2 | Confident | 113 Ų | 113 | 108.1 Ų | 108.1 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -38 | 170.8 | -69.8 | 168.9 | 0 | 0 | 0 | 112.5 | Q753 K754 E760 Q761 | Q753-L757 WeakPolarHBondContact O-CG 3.41Å; Q753-L757 PolarHBondContact O-N 2.95Å; K754-L757 PolarHBondContact O-N 2.71Å; L757-E760 PolarHBondContact O-N 3.02Å; L757-Q761 WeakPolarHBondContact O-CB 3.47Å; L757-Q761 PolarHBondContact O-N 3.35Å |
| 758 | E | 88.3 | Confident | 85 | Confident | 130 Ų | 130 | 106.9 Ų | 106.9 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -35.1 | 176.2 | -168.3 | 166.3 | -170.3 | 0 | 0 | 111.9 | K754 Q755 Q756 L762 | K754-E758 PolarHBondContact O-N 2.8Å; Q755-E758 PolarHBondContact O-N 2.88Å; Q756-E758 VanDerWaalsContact C-N 3.33Å; Q756-E758 PolarHBondContact O-N 2.73Å; E758-L762 VanDerWaalsContact O-CB 3.3Å; E758-L762 WeakPolarHBondContact O-CB 3.4Å; E758-L762 PolarHBondContact O-N 2.99Å |
| 759 | L | 81.6 | Confident | 84.7 | Confident | 117 Ų | 117 | 106.7 Ų | 106.7 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.6 | -43.3 | 171.7 | -75.9 | 168.3 | 0 | 0 | 0 | 112.6 | Q755 Q756 L762 H763 | Q755-L759 WeakPolarHBondContact O-CB 3.29Å; Q755-L759 WeakPolarHBondContact O-CG 3.33Å; Q755-L759 PolarHBondContact O-N 2.95Å; Q756-L759 PolarHBondContact O-N 3.37Å; L759-L762 PolarHBondContact O-N 3.42Å; L759-H763 WeakPolarHBondContact O-CB 3.49Å; L759-H763 PolarHBondContact O-N 3.27Å |
| 760 | E | 85.6 | Confident | 84.5 | Confident | 110 Ų | 110 | 110 Ų | 110 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.9 | -75.7 | 172.1 | -165.5 | 0 | 0 | 111.4 | Q756 L757 H763 S764 | Q756-E760 WeakPolarHBondContact O-CG 3.49Å; Q756-E760 PolarHBondContact O-N 3.19Å; L757-E760 PolarHBondContact O-N 3.02Å; E760-H763 PolarHBondContact O-N 3.03Å; E760-S764 PolarHBondContact O-N 2.87Å |
| 761 | Q | 88 | Confident | 84 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 174.6 | -175.5 | 170 | -4.6 | 0 | 0 | 111.7 | L757 H763 S764 D765 | L757-Q761 WeakPolarHBondContact O-CB 3.47Å; L757-Q761 PolarHBondContact O-N 3.35Å; Q761-H763 VanDerWaalsContact C-N 3.28Å; Q761-H763 PolarHBondContact O-N 2.99Å; Q761-S764 PolarHBondContact O-N 2.93Å; Q761-D765 PolarHBondContact O-N 2.88Å |
| 762 | L | 83.6 | Confident | 83.5 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -32.8 | 177.4 | -171.3 | 67.3 | 0 | 0 | 0 | 112.4 | E758 L759 F766 | E758-L762 VanDerWaalsContact O-CB 3.3Å; E758-L762 WeakPolarHBondContact O-CB 3.4Å; E758-L762 PolarHBondContact O-N 2.99Å; L759-L762 PolarHBondContact O-N 3.42Å; L762-F766 WeakPolarHBondContact O-CB 3.36Å; L762-F766 PolarHBondContact O-N 2.89Å |
| 763 | H | 83.2 | Confident | 83.1 | Confident | 117 Ų | 117 | 111.7 Ų | 111.7 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 173.9 | -162 | 71.1 | 0 | 0 | 0 | 111.5 | L759 E760 Q761 F766 E767 | L759-H763 WeakPolarHBondContact O-CB 3.49Å; L759-H763 PolarHBondContact O-N 3.27Å; E760-H763 PolarHBondContact O-N 3.03Å; Q761-H763 VanDerWaalsContact C-N 3.28Å; Q761-H763 PolarHBondContact O-N 2.99Å; H763-F766 WeakPolarHBondContact O-CB 3.27Å; H763-F766 PolarHBondContact O-N 3.36Å; H763-E767 PolarHBondContact O-N 3.47Å |
| 764 | S | 84.8 | Confident | 82.5 | Confident | 77 Ų | 77 | 109.8 Ų | 109.8 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 175 | -166.6 | 0 | 0 | 0 | 0 | 112.3 | E760 Q761 F766 E767 C768 | E760-S764 PolarHBondContact O-N 2.87Å; Q761-S764 PolarHBondContact O-N 2.93Å; S764-F766 VanDerWaalsContact C-N 3.33Å; S764-F766 PolarHBondContact O-N 3.45Å; S764-E767 PolarHBondContact O-N 2.98Å; S764-C768 WeakPolarHBondContact O-CB 3.36Å; S764-C768 PolarHBondContact O-N 3.1Å |
| 765 | D | 82.5 | Confident | 82.1 | Confident | 88 Ų | 88 | 105.5 Ų | 105.5 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 173.6 | -85.1 | -24 | 0 | 0 | 0 | 111.8 | Q761 C768 L769 | Q761-D765 PolarHBondContact O-N 2.88Å; D765-C768 PolarHBondContact O-N 3.48Å; D765-L769 WeakPolarHBondContact O-CB 3.48Å; D765-L769 VanDerWaalsContact O-CG 3.24Å; D765-L769 WeakPolarHBondContact O-CG 3.32Å; D765-L769 PolarHBondContact O-N 2.88Å |
| 766 | F | 85.2 | Confident | 81.8 | Confident | 117 Ų | 117 | 107.4 Ų | 107.4 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.7 | 176.6 | -99.3 | 0 | 0 | 0 | 112.4 | L762 H763 S764 C768 L769 R770 | L762-F766 WeakPolarHBondContact O-CB 3.36Å; L762-F766 PolarHBondContact O-N 2.89Å; H763-F766 WeakPolarHBondContact O-CB 3.27Å; H763-F766 PolarHBondContact O-N 3.36Å; S764-F766 VanDerWaalsContact C-N 3.33Å; S764-F766 PolarHBondContact O-N 3.45Å; F766-C768 VanDerWaalsContact C-N 3.35Å; F766-C768 PolarHBondContact O-N 2.91Å; F766-L769 PolarHBondContact O-N 2.76Å; F766-R770 VanDerWaalsContact O-CB 3.28Å; F766-R770 WeakPolarHBondContact O-CB 3.41Å; F766-R770 PolarHBondContact O-N 2.81Å |
| 767 | E | 78.9 | Confident | 81.3 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.9 | -67.3 | -142.2 | 121.1 | 0 | 0 | 112.3 | H763 S764 R770 S771 | H763-E767 PolarHBondContact O-N 3.47Å; S764-E767 PolarHBondContact O-N 2.98Å; E767-R770 PolarHBondContact O-N 2.89Å; E767-S771 WeakPolarHBondContact O-CB 3.35Å; E767-S771 PolarHBondContact O-N 2.93Å |
| 768 | C | 84.9 | Confident | 80.9 | Confident | 81 Ų | 81 | 104 Ų | 104 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | S764 D765 F766 R772 | S764-C768 WeakPolarHBondContact O-CB 3.36Å; S764-C768 PolarHBondContact O-N 3.1Å; D765-C768 PolarHBondContact O-N 3.48Å; F766-C768 VanDerWaalsContact C-N 3.35Å; F766-C768 PolarHBondContact O-N 2.91Å; C768-R772 WeakPolarHBondContact O-CB 3.38Å; C768-R772 PolarHBondContact O-N 2.89Å; C768-R772 VanDerWaalsContact O-N 3.11Å |
| 769 | L | 79.4 | Confident | 80.2 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175.8 | -74.9 | 172 | 0 | 0 | 0 | 112.1 | D765 F766 R772 E773 | D765-L769 WeakPolarHBondContact O-CB 3.48Å; D765-L769 VanDerWaalsContact O-CG 3.24Å; D765-L769 WeakPolarHBondContact O-CG 3.32Å; D765-L769 PolarHBondContact O-N 2.88Å; F766-L769 PolarHBondContact O-N 2.76Å; L769-R772 CarbonylContact O-C 3.55Å; L769-R772 PolarHBondContact O-N 3.44Å; L769-E773 PolarHBondContact O-N 3.14Å |
| 770 | R | 78.6 | Confident | 79.5 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 49% | 0.494 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 178.3 | -173.2 | -176.4 | -172.9 | -173.4 | 5.3 | 112.4 | F766 E767 R772 E773 D774 | F766-R770 VanDerWaalsContact O-CB 3.28Å; F766-R770 WeakPolarHBondContact O-CB 3.41Å; F766-R770 PolarHBondContact O-N 2.81Å; E767-R770 PolarHBondContact O-N 2.89Å; R770-R772 VanDerWaalsContact C-N 3.27Å; R770-R772 PolarHBondContact O-N 3.37Å; R770-E773 WeakPolarHBondContact O-CB 3.42Å; R770-E773 PolarHBondContact O-N 3.15Å; R770-E773 VanDerWaalsContact O-N 3.16Å; R770-D774 WeakPolarHBondContact O-CB 3.25Å; R770-D774 PolarHBondContact O-N 3.39Å |
| 771 | S | 77.3 | Confident | 79 | Confident | 77 Ų | 77 | 101.8 Ų | 101.8 | 54% | 0.538 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 174.2 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | E767 H775 | E767-S771 WeakPolarHBondContact O-CB 3.35Å; E767-S771 PolarHBondContact O-N 2.93Å; S771-H775 WeakPolarHBondContact O-CB 3.37Å; S771-H775 PolarHBondContact O-N 2.95Å |
| 772 | R | 79.8 | Confident | 78.6 | Confident | 150 Ų | 150 | 101.5 Ų | 101.5 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.6 | -28.3 | 175.8 | -167.5 | 178 | 68.2 | 172.9 | 0.4 | 113.5 | C768 L769 R770 K776 | C768-R772 WeakPolarHBondContact O-CB 3.38Å; C768-R772 PolarHBondContact O-N 2.89Å; C768-R772 VanDerWaalsContact O-N 3.11Å; L769-R772 CarbonylContact O-C 3.55Å; L769-R772 PolarHBondContact O-N 3.44Å; R770-R772 VanDerWaalsContact C-N 3.27Å; R770-R772 PolarHBondContact O-N 3.37Å; R772-K776 WeakPolarHBondContact O-CG 3.29Å; R772-K776 PolarHBondContact O-N 2.93Å |
| 773 | E | 71.8 | Confident | 78.2 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -55.2 | 170.2 | -178.3 | 176.6 | -169.7 | 0 | 0 | 110.3 | L769 R770 H775 K776 S777 | L769-E773 PolarHBondContact O-N 3.14Å; R770-E773 WeakPolarHBondContact O-CB 3.42Å; R770-E773 PolarHBondContact O-N 3.15Å; R770-E773 VanDerWaalsContact O-N 3.16Å; E773-H775 VanDerWaalsContact C-N 3.25Å; E773-H775 PolarHBondContact O-N 2.91Å; E773-K776 WeakPolarHBondContact O-CA 3.33Å; E773-K776 WeakPolarHBondContact O-CB 3.43Å; E773-K776 PolarHBondContact O-N 3.27Å; E773-S777 PolarHBondContact O-N 3.24Å; E773-S777 PolarHBondContact O-OG 3.08Å |
| 774 | D | 74.6 | Confident | 77.7 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -51 | -42.4 | 175.5 | -87.8 | 6.9 | 0 | 0 | 0 | 112.8 | R770 S777 R778 | R770-D774 WeakPolarHBondContact O-CB 3.25Å; R770-D774 PolarHBondContact O-N 3.39Å; D774-S777 PolarHBondContact O-N 3.38Å; D774-R778 VanDerWaalsContact O-CG 3.32Å; D774-R778 WeakPolarHBondContact O-CG 3.26Å; D774-R778 PolarHBondContact O-N 2.86Å; D774-R778 VanDerWaalsContact O-N 3.11Å; D774-R778 PolarHBondContact O-NE 3.18Å; D774-R778 IonicContact OD2-NH2 3.66Å |
| 775 | H | 81.2 | Confident | 77.6 | Confident | 51 Ų | 51 | 101.1 Ų | 101.1 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.3 | -172.6 | 105.5 | 0 | 0 | 0 | 112.2 | K525 Q528 S771 E773 Q779 | K525-H775 WeakPolarHBondContact CE-CE1 3.39Å; Q528-H775 PolarHBondContact OE1-NE2 3.31Å; S771-H775 WeakPolarHBondContact O-CB 3.37Å; S771-H775 PolarHBondContact O-N 2.95Å; E773-H775 VanDerWaalsContact C-N 3.25Å; E773-H775 PolarHBondContact O-N 2.91Å; H775-Q779 PolarHBondContact NE2-NE2 2.96Å; H775-Q779 WeakPolarHBondContact O-CG 3.43Å; H775-Q779 PolarHBondContact O-N 2.72Å; H775-Q779 VanDerWaalsContact O-N 3.1Å |
| 776 | K | 79.3 | Confident | 77.3 | Confident | 130 Ų | 130 | 101.3 Ų | 101.3 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.4 | -37.7 | 176.6 | -76 | 179.9 | 176.3 | -171.3 | 0 | 112.3 | R772 E773 Q779 L780 | R772-K776 WeakPolarHBondContact O-CG 3.29Å; R772-K776 PolarHBondContact O-N 2.93Å; E773-K776 WeakPolarHBondContact O-CA 3.33Å; E773-K776 WeakPolarHBondContact O-CB 3.43Å; E773-K776 PolarHBondContact O-N 3.27Å; K776-Q779 PolarHBondContact O-N 3.3Å; K776-L780 WeakPolarHBondContact O-CB 3.41Å; K776-L780 PolarHBondContact O-N 3.02Å |
| 777 | S | 69.8 | Low | 76.7 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 36% | 0.357 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 174.5 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | E773 D774 Q779 L780 E781 | E773-S777 PolarHBondContact O-N 3.24Å; E773-S777 PolarHBondContact O-OG 3.08Å; D774-S777 PolarHBondContact O-N 3.38Å; S777-Q779 PolarHBondContact O-N 3.2Å; S777-L780 WeakPolarHBondContact O-CB 3.44Å; S777-L780 PolarHBondContact O-N 2.94Å; S777-L780 VanDerWaalsContact O-N 3.11Å; S777-E781 WeakPolarHBondContact O-CG 3.35Å; S777-E781 PolarHBondContact O-N 3.4Å |
| 778 | R | 79.6 | Confident | 76.6 | Confident | 110 Ų | 110 | 99.8 Ų | 99.8 | 42% | 0.415 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.5 | -66.5 | 173.7 | -134.8 | 158.9 | -0.2 | 113.1 | D774 E782 | D774-R778 VanDerWaalsContact O-CG 3.32Å; D774-R778 WeakPolarHBondContact O-CG 3.26Å; D774-R778 PolarHBondContact O-N 2.86Å; D774-R778 VanDerWaalsContact O-N 3.11Å; D774-R778 PolarHBondContact O-NE 3.18Å; D774-R778 IonicContact OD2-NH2 3.66Å; R778-E782 PolarHBondContact O-N 2.94Å; R778-E782 VanDerWaalsContact O-N 3.14Å |
| 779 | Q | 74.6 | Confident | 76.3 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 36% | 0.36 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 173.6 | -75.8 | -178.1 | -26 | 0 | 0 | 112.4 | H775 K776 S777 L783 | H775-Q779 PolarHBondContact NE2-NE2 2.96Å; H775-Q779 WeakPolarHBondContact O-CG 3.43Å; H775-Q779 PolarHBondContact O-N 2.72Å; H775-Q779 VanDerWaalsContact O-N 3.1Å; K776-Q779 PolarHBondContact O-N 3.3Å; S777-Q779 PolarHBondContact O-N 3.2Å; Q779-L783 WeakPolarHBondContact O-CG 3.39Å; Q779-L783 PolarHBondContact O-N 2.9Å; Q779-L783 VanDerWaalsContact O-N 3.15Å |
| 780 | L | 67.6 | Low | 75.9 | Confident | 114 Ų | 114 | 106 Ų | 106 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | 176.3 | -174.5 | 63 | 0 | 0 | 0 | 111.3 | K776 S777 E782 L783 T784 | K776-L780 WeakPolarHBondContact O-CB 3.41Å; K776-L780 PolarHBondContact O-N 3.02Å; S777-L780 WeakPolarHBondContact O-CB 3.44Å; S777-L780 PolarHBondContact O-N 2.94Å; S777-L780 VanDerWaalsContact O-N 3.11Å; L780-E782 PolarHBondContact O-N 3.23Å; L780-L783 PolarHBondContact O-N 2.97Å; L780-T784 WeakPolarHBondContact O-CB 3.42Å; L780-T784 PolarHBondContact O-N 2.9Å; L780-T784 PolarHBondContact O-OG1 2.96Å |
| 781 | E | 75.2 | Confident | 75.5 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.3 | -47 | 173.4 | -72.5 | 161.6 | -162.7 | 0 | 0 | 112.2 | S777 T784 F785 | S777-E781 WeakPolarHBondContact O-CG 3.35Å; S777-E781 PolarHBondContact O-N 3.4Å; E781-T784 PolarHBondContact O-N 3.47Å; E781-F785 WeakPolarHBondContact O-CB 3.46Å; E781-F785 PolarHBondContact O-N 3.46Å |
| 782 | E | 79.9 | Confident | 75.5 | Confident | 128 Ų | 128 | 103.7 Ų | 103.7 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 179.1 | -172.2 | 169.1 | -162.7 | 0 | 0 | 112 | R778 L780 L786 | R778-E782 PolarHBondContact O-N 2.94Å; R778-E782 VanDerWaalsContact O-N 3.14Å; L780-E782 PolarHBondContact O-N 3.23Å; E782-L786 VanDerWaalsContact O-CG 3.32Å; E782-L786 WeakPolarHBondContact O-CG 3.49Å; E782-L786 PolarHBondContact O-N 2.95Å; E782-L786 VanDerWaalsContact O-N 3.16Å |
| 783 | L | 74.2 | Confident | 75.2 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.4 | -41.6 | 174.2 | -73.2 | 170.2 | 0 | 0 | 0 | 112.4 | Q779 L780 L786 C787 | Q779-L783 WeakPolarHBondContact O-CG 3.39Å; Q779-L783 PolarHBondContact O-N 2.9Å; Q779-L783 VanDerWaalsContact O-N 3.15Å; L780-L783 PolarHBondContact O-N 2.97Å; L783-L786 PolarHBondContact O-N 3.28Å; L783-C787 PolarHBondContact O-N 2.93Å; L783-C787 PolarHBondContact O-SG 3.3Å |
| 784 | T | 72.3 | Confident | 75.3 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.7 | -71.4 | 0 | 0 | 0 | 0 | 111.1 | L780 E781 L786 C787 E788 | L780-T784 WeakPolarHBondContact O-CB 3.42Å; L780-T784 PolarHBondContact O-N 2.9Å; L780-T784 PolarHBondContact O-OG1 2.96Å; E781-T784 PolarHBondContact O-N 3.47Å; T784-L786 VanDerWaalsContact C-N 3.29Å; T784-L786 PolarHBondContact O-N 3.33Å; T784-C787 WeakPolarHBondContact O-CB 3.2Å; T784-C787 PolarHBondContact O-N 3.06Å; T784-E788 HydrophobicContact CG2-CG 4.34Å; T784-E788 WeakPolarHBondContact O-CG 3.26Å; T784-E788 PolarHBondContact O-N 3.09Å |
| 785 | F | 82.4 | Confident | 75.3 | Confident | 127 Ų | 127 | 99.9 Ų | 99.9 | 56% | 0.557 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.5 | -38.9 | 175.6 | 175.8 | -106.1 | 0 | 0 | 0 | 112.8 | E781 R789 | E781-F785 WeakPolarHBondContact O-CB 3.46Å; E781-F785 PolarHBondContact O-N 3.46Å; F785-R789 WeakPolarHBondContact O-CB 3.44Å; F785-R789 PolarHBondContact O-N 3.44Å |
| 786 | L | 75.8 | Confident | 75 | Confident | 93 Ų | 93 | 101.9 Ų | 101.9 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 174.5 | -72.2 | 170.6 | 0 | 0 | 0 | 112.4 | E782 L783 T784 H790 | E782-L786 VanDerWaalsContact O-CG 3.32Å; E782-L786 WeakPolarHBondContact O-CG 3.49Å; E782-L786 PolarHBondContact O-N 2.95Å; E782-L786 VanDerWaalsContact O-N 3.16Å; L783-L786 PolarHBondContact O-N 3.28Å; T784-L786 VanDerWaalsContact C-N 3.29Å; T784-L786 PolarHBondContact O-N 3.33Å; L786-H790 WeakPolarHBondContact O-CB 3.26Å; L786-H790 PolarHBondContact O-N 2.87Å; L786-H790 VanDerWaalsContact O-N 3.07Å |
| 787 | C | 73.3 | Confident | 74.9 | Confident | 86 Ų | 86 | 101 Ų | 101 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 173.8 | -74.2 | 0 | 0 | 0 | 0 | 112.7 | L783 T784 H790 E791 | L783-C787 PolarHBondContact O-N 2.93Å; L783-C787 PolarHBondContact O-SG 3.3Å; T784-C787 WeakPolarHBondContact O-CB 3.2Å; T784-C787 PolarHBondContact O-N 3.06Å; C787-H790 PolarHBondContact O-N 2.83Å; C787-E791 PolarHBondContact O-N 2.9Å |
| 788 | E | 77.6 | Confident | 75.2 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 175.7 | -72.7 | 172.5 | 173.2 | 0 | 0 | 111.1 | T784 H790 E791 Q792 | T784-E788 HydrophobicContact CG2-CG 4.34Å; T784-E788 WeakPolarHBondContact O-CG 3.26Å; T784-E788 PolarHBondContact O-N 3.09Å; E788-H790 VanDerWaalsContact C-N 3.29Å; E788-H790 PolarHBondContact O-N 3.31Å; E788-E791 PolarHBondContact O-N 2.86Å; E788-Q792 PolarHBondContact O-N 3.01Å |
| 789 | R | 78.4 | Confident | 74.9 | Confident | 171 Ų | 171 | 100.5 Ų | 100.5 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -38.5 | 175.3 | 177.4 | -176.5 | 161.3 | 110.8 | 4.7 | 112.5 | F785 S793 | F785-R789 WeakPolarHBondContact O-CB 3.44Å; F785-R789 PolarHBondContact O-N 3.44Å; R789-S793 PolarHBondContact O-N 3.02Å; R789-S793 VanDerWaalsContact O-N 3.14Å; R789-S793 PolarHBondContact O-OG 2.71Å |
| 790 | H | 70.4 | Confident | 74.9 | Confident | 130 Ų | 130 | 102 Ų | 102 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 176.6 | -178.4 | -82.5 | 0 | 0 | 0 | 111.8 | L786 C787 E788 S793 K794 | L786-H790 WeakPolarHBondContact O-CB 3.26Å; L786-H790 PolarHBondContact O-N 2.87Å; L786-H790 VanDerWaalsContact O-N 3.07Å; C787-H790 PolarHBondContact O-N 2.83Å; E788-H790 VanDerWaalsContact C-N 3.29Å; E788-H790 PolarHBondContact O-N 3.31Å; H790-S793 WeakPolarHBondContact O-CB 3.34Å; H790-S793 PolarHBondContact O-N 2.91Å; H790-K794 WeakPolarHBondContact O-CB 3.43Å; H790-K794 PolarHBondContact O-N 3.22Å; H790-K794 VanDerWaalsContact O-N 3.11Å |
| 791 | E | 71 | Confident | 75.2 | Confident | 79 Ų | 79 | 103.2 Ų | 103.2 | 37% | 0.369 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 179.2 | -166.4 | 59.5 | -154.5 | 0 | 0 | 112 | C787 E788 K794 Q795 | C787-E791 PolarHBondContact O-N 2.9Å; E788-E791 PolarHBondContact O-N 2.86Å; E791-K794 CarbonylContact O-C 3.59Å; E791-K794 WeakPolarHBondContact O-CB 3.32Å; E791-K794 PolarHBondContact O-N 2.8Å; E791-K794 IonicContact OE1-NZ 3.68Å; E791-K794 PolarHBondContact OE1-NZ 3.09Å; E791-K794 IonicContact OE2-NZ 3.73Å; E791-K794 PolarHBondContact OE2-NZ 3.15Å; E791-Q795 WeakPolarHBondContact O-CG 3.48Å; E791-Q795 PolarHBondContact O-N 3.19Å |
| 792 | Q | 76.1 | Confident | 75.4 | Confident | 81 Ų | 81 | 101 Ų | 101 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 169.2 | -176.7 | 65.6 | 59.2 | 0 | 0 | 111.2 | E788 K794 Q795 D796 | E788-Q792 PolarHBondContact O-N 3.01Å; Q792-K794 PolarHBondContact O-N 3.09Å; Q792-K794 VanDerWaalsContact O-N 3.12Å; Q792-Q795 PolarHBondContact O-N 2.99Å; Q792-D796 PolarHBondContact NE2-OD1 2.87Å; Q792-D796 PolarHBondContact O-N 3.05Å |
| 793 | S | 74.7 | Confident | 75.4 | Confident | 58 Ų | 58 | 98.4 Ų | 98.4 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -32.3 | 178 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | R789 H790 L797 | R789-S793 PolarHBondContact O-N 3.02Å; R789-S793 VanDerWaalsContact O-N 3.14Å; R789-S793 PolarHBondContact O-OG 2.71Å; H790-S793 WeakPolarHBondContact O-CB 3.34Å; H790-S793 PolarHBondContact O-N 2.91Å; S793-L797 WeakPolarHBondContact O-CG 3.45Å; S793-L797 PolarHBondContact O-N 2.63Å |
| 794 | K | 73.3 | Confident | 75.6 | Confident | 107 Ų | 107 | 96.8 Ų | 96.8 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -78.8 | -33.7 | 177 | 168.1 | 168.2 | 160.7 | -101.7 | 0 | 112.8 | H790 E791 Q792 K798 | H790-K794 WeakPolarHBondContact O-CB 3.43Å; H790-K794 PolarHBondContact O-N 3.22Å; H790-K794 VanDerWaalsContact O-N 3.11Å; E791-K794 CarbonylContact O-C 3.59Å; E791-K794 WeakPolarHBondContact O-CB 3.32Å; E791-K794 PolarHBondContact O-N 2.8Å; E791-K794 IonicContact OE1-NZ 3.68Å; E791-K794 PolarHBondContact OE1-NZ 3.09Å; E791-K794 IonicContact OE2-NZ 3.73Å; E791-K794 PolarHBondContact OE2-NZ 3.15Å; Q792-K794 PolarHBondContact O-N 3.09Å; Q792-K794 VanDerWaalsContact O-N 3.12Å; K794-K798 WeakPolarHBondContact O-CB 3.47Å; K794-K798 PolarHBondContact O-N 3.23Å |
| 795 | Q | 74.4 | Confident | 75.7 | Confident | 105 Ų | 105 | 96.4 Ų | 96.4 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 170.2 | -69.9 | -176.5 | 34.6 | 0 | 0 | 111.7 | E791 Q792 L797 K798 G799 | E791-Q795 WeakPolarHBondContact O-CG 3.48Å; E791-Q795 PolarHBondContact O-N 3.19Å; Q792-Q795 PolarHBondContact O-N 2.99Å; Q795-L797 PolarHBondContact O-N 3.31Å; Q795-K798 PolarHBondContact O-N 3.04Å; Q795-K798 VanDerWaalsContact O-N 3.15Å; Q795-G799 PolarHBondContact O-N 2.93Å |
| 796 | D | 75.3 | Confident | 75.5 | Confident | 94 Ų | 94 | 97.8 Ų | 97.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.8 | -60.2 | -19.5 | 0 | 0 | 0 | 111 | Q792 K798 G799 L800 | Q792-D796 PolarHBondContact NE2-OD1 2.87Å; Q792-D796 PolarHBondContact O-N 3.05Å; D796-K798 PolarHBondContact O-N 3.49Å; D796-G799 PolarHBondContact O-N 3.01Å; D796-L800 PolarHBondContact O-N 3.39Å |
| 797 | L | 76.2 | Confident | 75.7 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 172.5 | -82.1 | 166 | 0 | 0 | 0 | 112.2 | S793 Q795 L800 E801 | S793-L797 WeakPolarHBondContact O-CG 3.45Å; S793-L797 PolarHBondContact O-N 2.63Å; Q795-L797 PolarHBondContact O-N 3.31Å; L797-L800 WeakPolarHBondContact O-CB 3.3Å; L797-L800 PolarHBondContact O-N 2.8Å; L797-E801 PolarHBondContact O-N 3.34Å |
| 798 | K | 76.9 | Confident | 75.7 | Confident | 115 Ų | 115 | 99.9 Ų | 99.9 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 177.5 | -170.6 | -171.3 | 176.8 | -110.2 | 0 | 112.2 | K794 Q795 D796 L800 E801 E802 | K794-K798 WeakPolarHBondContact O-CB 3.47Å; K794-K798 PolarHBondContact O-N 3.23Å; Q795-K798 PolarHBondContact O-N 3.04Å; Q795-K798 VanDerWaalsContact O-N 3.15Å; D796-K798 PolarHBondContact O-N 3.49Å; K798-L800 VanDerWaalsContact C-N 3.27Å; K798-L800 PolarHBondContact O-N 3.31Å; K798-E801 PolarHBondContact O-N 3.05Å; K798-E802 WeakPolarHBondContact CE-OE1 3.37Å; K798-E802 IonicContact NZ-OE1 3.57Å; K798-E802 PolarHBondContact NZ-OE1 3.33Å; K798-E802 PolarHBondContact O-N 3.07Å |
| 799 | G | 73.6 | Confident | 75.7 | Confident | 35 Ų | 35 | 102 Ų | 102 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q795 D796 T803 | Q795-G799 PolarHBondContact O-N 2.93Å; D796-G799 PolarHBondContact O-N 3.01Å; G799-T803 WeakPolarHBondContact O-CB 3.44Å; G799-T803 PolarHBondContact O-N 3.42Å; G799-T803 PolarHBondContact O-OG1 3.01Å |
| 800 | L | 74.7 | Confident | 75.6 | Confident | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.6 | -43.5 | 172.7 | -172.8 | 63.7 | 0 | 0 | 0 | 112.1 | D796 L797 K798 T803 V804 | D796-L800 PolarHBondContact O-N 3.39Å; L797-L800 WeakPolarHBondContact O-CB 3.3Å; L797-L800 PolarHBondContact O-N 2.8Å; K798-L800 VanDerWaalsContact C-N 3.27Å; K798-L800 PolarHBondContact O-N 3.31Å; L800-T803 PolarHBondContact O-N 3.08Å; L800-V804 WeakPolarHBondContact O-CG2 3.33Å; L800-V804 PolarHBondContact O-N 3.14Å |
| 801 | E | 73.6 | Confident | 75.9 | Confident | 140 Ų | 140 | 96 Ų | 96 | 65% | 0.654 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.5 | -45.5 | 173.9 | -73.2 | -170.1 | 140.7 | 0 | 0 | 112.2 | L797 K798 T803 V804 A805 | L797-E801 PolarHBondContact O-N 3.34Å; K798-E801 PolarHBondContact O-N 3.05Å; E801-T803 VanDerWaalsContact C-N 3.29Å; E801-T803 PolarHBondContact O-N 2.99Å; E801-V804 PolarHBondContact O-N 3.01Å; E801-A805 WeakPolarHBondContact O-CB 3.44Å; E801-A805 PolarHBondContact O-N 3.35Å |
| 802 | E | 80 | Confident | 75.9 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 175.8 | -75.8 | -170.6 | -151 | 0 | 0 | 112.2 | K798 A805 R806 | K798-E802 WeakPolarHBondContact CE-OE1 3.37Å; K798-E802 IonicContact NZ-OE1 3.57Å; K798-E802 PolarHBondContact NZ-OE1 3.33Å; K798-E802 PolarHBondContact O-N 3.07Å; E802-A805 PolarHBondContact O-N 3.48Å; E802-R806 VanDerWaalsContact O-CG 3.23Å; E802-R806 WeakPolarHBondContact O-CG 3.43Å; E802-R806 PolarHBondContact O-N 3.02Å; E802-R806 IonicContact OE2-NH2 3.67Å; E802-R806 PolarHBondContact OE2-NH2 2.89Å |
| 803 | T | 79.2 | Confident | 75.8 | Confident | 74 Ų | 74 | 96.1 Ų | 96.1 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | G799 L800 E801 A805 R806 E807 | G799-T803 WeakPolarHBondContact O-CB 3.44Å; G799-T803 PolarHBondContact O-N 3.42Å; G799-T803 PolarHBondContact O-OG1 3.01Å; L800-T803 PolarHBondContact O-N 3.08Å; E801-T803 VanDerWaalsContact C-N 3.29Å; E801-T803 PolarHBondContact O-N 2.99Å; T803-A805 VanDerWaalsContact C-N 3.32Å; T803-A805 PolarHBondContact O-N 2.88Å; T803-R806 PolarHBondContact O-N 3.31Å; T803-E807 PolarHBondContact O-N 3.32Å |
| 804 | V | 78.4 | Confident | 76 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L800 E801 E807 L808 | L800-V804 WeakPolarHBondContact O-CG2 3.33Å; L800-V804 PolarHBondContact O-N 3.14Å; E801-V804 PolarHBondContact O-N 3.01Å; V804-E807 PolarHBondContact O-N 2.89Å; V804-L808 HydrophobicContact CG1-CD1 3.88Å; V804-L808 HydrophobicContact CG1-CG 4.33Å; V804-L808 WeakPolarHBondContact O-CB 3.4Å; V804-L808 VanDerWaalsContact O-CG 3.27Å; V804-L808 WeakPolarHBondContact O-CG 3.22Å; V804-L808 PolarHBondContact O-N 3.22Å |
| 805 | A | 74.4 | Confident | 76.1 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E801 E802 T803 Y809 | E801-A805 WeakPolarHBondContact O-CB 3.44Å; E801-A805 PolarHBondContact O-N 3.35Å; E802-A805 PolarHBondContact O-N 3.48Å; T803-A805 VanDerWaalsContact C-N 3.32Å; T803-A805 PolarHBondContact O-N 2.88Å; A805-Y809 WeakPolarHBondContact O-CB 3.31Å; A805-Y809 PolarHBondContact O-N 3.48Å |
| 806 | R | 78.9 | Confident | 76.1 | Confident | 155 Ų | 155 | 102.7 Ų | 102.7 | 59% | 0.585 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 173.9 | -70.2 | 167.5 | -154.6 | -165.7 | 8.4 | 111 | E802 T803 L808 Y809 T810 | E802-R806 VanDerWaalsContact O-CG 3.23Å; E802-R806 WeakPolarHBondContact O-CG 3.43Å; E802-R806 PolarHBondContact O-N 3.02Å; E802-R806 IonicContact OE2-NH2 3.67Å; E802-R806 PolarHBondContact OE2-NH2 2.89Å; T803-R806 PolarHBondContact O-N 3.31Å; R806-L808 PolarHBondContact O-N 2.69Å; R806-Y809 WeakPolarHBondContact O-CB 3.24Å; R806-Y809 PolarHBondContact O-N 3.5Å; R806-Y809 VanDerWaalsContact O-N 3.12Å; R806-T810 PolarHBondContact O-N 2.85Å; R806-T810 PolarHBondContact O-OG1 3.42Å; R806-T810 VanDerWaalsContact O-OG1 3.07Å |
| 807 | E | 78.4 | Confident | 76.1 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.2 | -73.1 | -53.2 | 128.6 | 0 | 0 | 112.9 | T803 V804 Y809 T810 L811 | T803-E807 PolarHBondContact O-N 3.32Å; V804-E807 PolarHBondContact O-N 2.89Å; E807-Y809 VanDerWaalsContact C-N 3.31Å; E807-Y809 PolarHBondContact O-N 3.02Å; E807-T810 PolarHBondContact O-N 3.36Å; E807-L811 WeakPolarHBondContact O-CB 3.5Å; E807-L811 PolarHBondContact O-N 3.48Å |
| 808 | L | 74.6 | Confident | 76.1 | Confident | 109 Ų | 109 | 104 Ų | 104 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -34.9 | 173.7 | -72.8 | 172.5 | 0 | 0 | 0 | 112.5 | V804 R806 H812 | V804-L808 HydrophobicContact CG1-CD1 3.88Å; V804-L808 HydrophobicContact CG1-CG 4.33Å; V804-L808 WeakPolarHBondContact O-CB 3.4Å; V804-L808 VanDerWaalsContact O-CG 3.27Å; V804-L808 WeakPolarHBondContact O-CG 3.22Å; V804-L808 PolarHBondContact O-N 3.22Å; R806-L808 PolarHBondContact O-N 2.69Å; L808-H812 WeakPolarHBondContact O-CB 3.49Å; L808-H812 PolarHBondContact O-N 3.32Å |
| 809 | Y | 76.8 | Confident | 75.9 | Confident | 152 Ų | 152 | 102 Ų | 102 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -40.5 | 174.1 | -175.7 | -108.4 | 0 | 0 | 0 | 112.1 | A805 R806 E807 H812 N813 | A805-Y809 WeakPolarHBondContact O-CB 3.31Å; A805-Y809 PolarHBondContact O-N 3.48Å; R806-Y809 WeakPolarHBondContact O-CB 3.24Å; R806-Y809 PolarHBondContact O-N 3.5Å; R806-Y809 VanDerWaalsContact O-N 3.12Å; E807-Y809 VanDerWaalsContact C-N 3.31Å; E807-Y809 PolarHBondContact O-N 3.02Å; Y809-H812 PolarHBondContact O-N 3.03Å; Y809-N813 WeakPolarHBondContact CD1-ND2 3.49Å; Y809-N813 WeakPolarHBondContact CE1-ND2 3.43Å; Y809-N813 VanDerWaalsContact CZ-ND2 3.33Å; Y809-N813 PolarHBondContact O-N 2.91Å; Y809-N813 PolarHBondContact O-ND2 3.05Å |
| 810 | T | 77 | Confident | 75.7 | Confident | 64 Ų | 64 | 105.2 Ų | 105.2 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 172.4 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | R806 E807 H812 N813 L814 | R806-T810 PolarHBondContact O-N 2.85Å; R806-T810 PolarHBondContact O-OG1 3.42Å; R806-T810 VanDerWaalsContact O-OG1 3.07Å; E807-T810 PolarHBondContact O-N 3.36Å; T810-H812 VanDerWaalsContact C-N 3.34Å; T810-H812 PolarHBondContact O-N 3.41Å; T810-N813 PolarHBondContact O-N 2.98Å; T810-L814 HydrophobicContact CG2-CD1 4.2Å; T810-L814 WeakPolarHBondContact O-CG 3.46Å; T810-L814 PolarHBondContact O-N 2.93Å |
| 811 | L | 75.5 | Confident | 75.6 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -40.6 | 173.4 | -98.3 | 161.9 | 0 | 0 | 0 | 112.8 | E807 R815 | E807-L811 WeakPolarHBondContact O-CB 3.5Å; E807-L811 PolarHBondContact O-N 3.48Å; L811-R815 VanDerWaalsContact O-CB 3.3Å; L811-R815 WeakPolarHBondContact O-CB 3.46Å; L811-R815 PolarHBondContact O-N 3.48Å |
| 812 | H | 72.6 | Confident | 75.4 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 53% | 0.532 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.9 | -173.6 | 97.5 | 0 | 0 | 0 | 111.7 | L808 Y809 T810 R815 K816 | L808-H812 WeakPolarHBondContact O-CB 3.49Å; L808-H812 PolarHBondContact O-N 3.32Å; Y809-H812 PolarHBondContact O-N 3.03Å; T810-H812 VanDerWaalsContact C-N 3.34Å; T810-H812 PolarHBondContact O-N 3.41Å; H812-R815 PolarHBondContact O-N 2.98Å; H812-K816 WeakPolarHBondContact O-CB 3.18Å; H812-K816 PolarHBondContact O-N 2.9Å |
| 813 | N | 74.3 | Confident | 74.7 | Confident | 47 Ų | 47 | 101.5 Ų | 101.5 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 178 | -74.5 | -37.6 | 0 | 0 | 0 | 112.2 | Y809 T810 R815 K816 L817 | Y809-N813 WeakPolarHBondContact CD1-ND2 3.49Å; Y809-N813 WeakPolarHBondContact CE1-ND2 3.43Å; Y809-N813 VanDerWaalsContact CZ-ND2 3.33Å; Y809-N813 PolarHBondContact O-N 2.91Å; Y809-N813 PolarHBondContact O-ND2 3.05Å; T810-N813 PolarHBondContact O-N 2.98Å; N813-R815 VanDerWaalsContact C-N 3.35Å; N813-R815 PolarHBondContact O-N 2.87Å; N813-K816 WeakPolarHBondContact O-CB 3.42Å; N813-K816 PolarHBondContact O-N 2.97Å; N813-L817 WeakPolarHBondContact O-CB 3.36Å; N813-L817 WeakPolarHBondContact O-CG 3.48Å; N813-L817 PolarHBondContact O-N 3.08Å |
| 814 | L | 77.5 | Confident | 74.3 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -43.9 | 173.1 | -71.5 | 171.5 | 0 | 0 | 0 | 111.4 | T810 K816 L817 F818 | T810-L814 HydrophobicContact CG2-CD1 4.2Å; T810-L814 WeakPolarHBondContact O-CG 3.46Å; T810-L814 PolarHBondContact O-N 2.93Å; L814-K816 PolarHBondContact O-N 3.22Å; L814-L817 PolarHBondContact O-N 3.41Å; L814-F818 VanDerWaalsContact O-CB 3.31Å; L814-F818 WeakPolarHBondContact O-CB 3.35Å; L814-F818 PolarHBondContact O-N 3.34Å |
| 815 | R | 75.5 | Confident | 73.6 | Confident | 187 Ų | 187 | 103.8 Ų | 103.8 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -41.6 | 173.7 | -179.4 | 179 | 175.2 | -177 | -1.3 | 112.1 | L811 H812 N813 F818 V819 | L811-R815 VanDerWaalsContact O-CB 3.3Å; L811-R815 WeakPolarHBondContact O-CB 3.46Å; L811-R815 PolarHBondContact O-N 3.48Å; H812-R815 PolarHBondContact O-N 2.98Å; N813-R815 VanDerWaalsContact C-N 3.35Å; N813-R815 PolarHBondContact O-N 2.87Å; R815-F818 PolarHBondContact O-N 3.04Å; R815-V819 WeakPolarHBondContact O-CB 3.14Å; R815-V819 VanDerWaalsContact O-CG2 3.3Å; R815-V819 WeakPolarHBondContact O-CG2 3.37Å; R815-V819 PolarHBondContact O-N 2.96Å |
| 816 | K | 74.9 | Confident | 73.1 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 178.6 | -176.7 | -179.3 | 177.2 | -176 | 0 | 111.5 | H812 N813 L814 V819 Q820 | H812-K816 WeakPolarHBondContact O-CB 3.18Å; H812-K816 PolarHBondContact O-N 2.9Å; N813-K816 WeakPolarHBondContact O-CB 3.42Å; N813-K816 PolarHBondContact O-N 2.97Å; L814-K816 PolarHBondContact O-N 3.22Å; K816-V819 PolarHBondContact O-N 3.24Å; K816-Q820 WeakPolarHBondContact O-CB 3.38Å; K816-Q820 WeakPolarHBondContact O-CG 3.22Å; K816-Q820 PolarHBondContact O-N 3.32Å |
| 817 | L | 74.2 | Confident | 72.2 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 174.8 | -71.1 | 169.2 | 0 | 0 | 0 | 111.4 | N813 L814 V819 Q820 D821 | N813-L817 WeakPolarHBondContact O-CB 3.36Å; N813-L817 WeakPolarHBondContact O-CG 3.48Å; N813-L817 PolarHBondContact O-N 3.08Å; L814-L817 PolarHBondContact O-N 3.41Å; L817-V819 PolarHBondContact O-N 3.42Å; L817-Q820 PolarHBondContact O-N 3.02Å; L817-D821 VanDerWaalsContact O-CB 3.29Å; L817-D821 WeakPolarHBondContact O-CB 3.47Å; L817-D821 PolarHBondContact O-N 3.36Å |
| 818 | F | 77.5 | Confident | 71.3 | Confident | 127 Ų | 127 | 107.7 Ų | 107.7 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 177.2 | -175.1 | -93.8 | 0 | 0 | 0 | 112.4 | L814 R815 L822 | L814-F818 VanDerWaalsContact O-CB 3.31Å; L814-F818 WeakPolarHBondContact O-CB 3.35Å; L814-F818 PolarHBondContact O-N 3.34Å; R815-F818 PolarHBondContact O-N 3.04Å; F818-L822 VanDerWaalsContact O-CB 3.27Å; F818-L822 WeakPolarHBondContact O-CB 3.33Å; F818-L822 PolarHBondContact O-N 2.86Å |
| 819 | V | 71.8 | Confident | 70.3 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | R815 K816 L817 D821 L822 T823 | R815-V819 WeakPolarHBondContact O-CB 3.14Å; R815-V819 VanDerWaalsContact O-CG2 3.3Å; R815-V819 WeakPolarHBondContact O-CG2 3.37Å; R815-V819 PolarHBondContact O-N 2.96Å; K816-V819 PolarHBondContact O-N 3.24Å; L817-V819 PolarHBondContact O-N 3.42Å; V819-D821 PolarHBondContact O-N 2.98Å; V819-L822 PolarHBondContact O-N 3.32Å; V819-T823 PolarHBondContact O-N 3.17Å; V819-T823 PolarHBondContact O-OG1 3.5Å |
| 820 | Q | 69.1 | Low | 69 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 176.6 | -75.9 | 178.2 | -44.5 | 0 | 0 | 112.2 | K816 L817 T823 T824 | K816-Q820 WeakPolarHBondContact O-CB 3.38Å; K816-Q820 WeakPolarHBondContact O-CG 3.22Å; K816-Q820 PolarHBondContact O-N 3.32Å; L817-Q820 PolarHBondContact O-N 3.02Å; Q820-T823 PolarHBondContact O-N 3.21Å; Q820-T824 WeakPolarHBondContact O-CB 3.41Å; Q820-T824 PolarHBondContact O-N 3.32Å; Q820-T824 PolarHBondContact O-OG1 3.46Å |
| 821 | D | 73 | Confident | 67.5 | Low | 73 Ų | 73 | 108.9 Ų | 108.9 | 39% | 0.39 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 177.6 | -175.9 | 28.6 | 0 | 0 | 0 | 111.6 | L817 V819 T824 R825 | L817-D821 VanDerWaalsContact O-CB 3.29Å; L817-D821 WeakPolarHBondContact O-CB 3.47Å; L817-D821 PolarHBondContact O-N 3.36Å; V819-D821 PolarHBondContact O-N 2.98Å; D821-T824 PolarHBondContact O-N 2.93Å; D821-R825 VanDerWaalsContact CG-CZ 3.42Å; D821-R825 VanDerWaalsContact CG-NH2 3.26Å; D821-R825 PolarHBondContact O-N 3.48Å; D821-R825 IonicContact OD1-CZ 3.19Å; D821-R825 IonicContact OD1-NH1 2.73Å; D821-R825 PolarHBondContact OD1-NH1 2.69Å; D821-R825 IonicContact OD1-NH2 3.75Å; D821-R825 IonicContact OD2-CZ 2.71Å; D821-R825 IonicContact OD2-NH1 3.43Å; D821-R825 PolarHBondContact OD2-NH1 2.96Å; D821-R825 IonicContact OD2-NH2 3.51Å; D821-R825 PolarHBondContact OD2-NH2 2.85Å |
| 822 | L | 69.1 | Low | 66 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | 170.8 | -165.6 | 80.6 | 0 | 0 | 0 | 111.7 | F818 V819 T824 R825 V826 | F818-L822 VanDerWaalsContact O-CB 3.27Å; F818-L822 WeakPolarHBondContact O-CB 3.33Å; F818-L822 PolarHBondContact O-N 2.86Å; V819-L822 PolarHBondContact O-N 3.32Å; L822-T824 VanDerWaalsContact C-N 3.29Å; L822-T824 PolarHBondContact O-N 2.9Å; L822-R825 PolarHBondContact O-N 3.16Å; L822-V826 WeakPolarHBondContact O-CG2 3.43Å; L822-V826 PolarHBondContact O-N 2.86Å |
| 823 | T | 66.7 | Low | 64.6 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -37.7 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | V819 Q820 V826 R827 | V819-T823 PolarHBondContact O-N 3.17Å; V819-T823 PolarHBondContact O-OG1 3.5Å; Q820-T823 PolarHBondContact O-N 3.21Å; T823-V826 PolarHBondContact O-N 3.34Å; T823-R827 PolarHBondContact O-N 2.93Å |
| 824 | T | 69.6 | Low | 63.5 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -38.4 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | Q820 D821 L822 K828 | Q820-T824 WeakPolarHBondContact O-CB 3.41Å; Q820-T824 PolarHBondContact O-N 3.32Å; Q820-T824 PolarHBondContact O-OG1 3.46Å; D821-T824 PolarHBondContact O-N 2.93Å; L822-T824 VanDerWaalsContact C-N 3.29Å; L822-T824 PolarHBondContact O-N 2.9Å; T824-K828 WeakPolarHBondContact O-CG 3.38Å; T824-K828 PolarHBondContact O-N 3.35Å |
| 825 | R | 64.9 | Low | 61.9 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 48% | 0.475 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 170.5 | -81 | -169 | -78.2 | -88.5 | -0.6 | 112.4 | D821 L822 R827 K828 S829 | D821-R825 VanDerWaalsContact CG-CZ 3.42Å; D821-R825 VanDerWaalsContact CG-NH2 3.26Å; D821-R825 PolarHBondContact O-N 3.48Å; D821-R825 IonicContact OD1-CZ 3.19Å; D821-R825 IonicContact OD1-NH1 2.73Å; D821-R825 PolarHBondContact OD1-NH1 2.69Å; D821-R825 IonicContact OD1-NH2 3.75Å; D821-R825 IonicContact OD2-CZ 2.71Å; D821-R825 IonicContact OD2-NH1 3.43Å; D821-R825 PolarHBondContact OD2-NH1 2.96Å; D821-R825 IonicContact OD2-NH2 3.51Å; D821-R825 PolarHBondContact OD2-NH2 2.85Å; L822-R825 PolarHBondContact O-N 3.16Å; R825-R827 VanDerWaalsContact C-N 3.34Å; R825-R827 PolarHBondContact O-N 3.4Å; R825-K828 PolarHBondContact O-N 2.97Å; R825-S829 PolarHBondContact O-N 3.19Å; R825-S829 PolarHBondContact O-OG 3.29Å |
| 826 | V | 62.6 | Low | 60.1 | Low | 87 Ų | 87 | 116 Ų | 116 | 53% | 0.527 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -40.3 | 178.3 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | L822 T823 S829 T830 | L822-V826 WeakPolarHBondContact O-CG2 3.43Å; L822-V826 PolarHBondContact O-N 2.86Å; T823-V826 PolarHBondContact O-N 3.34Å; V826-S829 WeakPolarHBondContact CA-OG 3.49Å; V826-S829 PolarHBondContact O-N 3.41Å; V826-S829 PolarHBondContact O-OG 3.12Å; V826-T830 PolarHBondContact O-N 3.23Å; V826-T830 PolarHBondContact O-OG1 2.82Å |
| 827 | R | 61.6 | Low | 58.9 | Low | 175 Ų | 175 | 117.2 Ų | 117.2 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.5 | -51.2 | 169.9 | -99.1 | -176.5 | 169.2 | 164.3 | -3.7 | 112.1 | T823 R825 S829 T830 E831 | T823-R827 PolarHBondContact O-N 2.93Å; R825-R827 VanDerWaalsContact C-N 3.34Å; R825-R827 PolarHBondContact O-N 3.4Å; R827-S829 PolarHBondContact O-N 3.33Å; R827-S829 VanDerWaalsContact O-N 3.15Å; R827-T830 WeakPolarHBondContact CA-OG1 3.37Å; R827-T830 PolarHBondContact O-N 3.46Å; R827-T830 PolarHBondContact O-OG1 3.02Å; R827-E831 PolarHBondContact O-N 2.94Å |
| 828 | K | 58.1 | Low | 57.6 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.3 | -21.5 | 179 | -73.3 | -173 | 174 | -172.7 | 0 | 114.2 | T824 R825 | T824-K828 WeakPolarHBondContact O-CG 3.38Å; T824-K828 PolarHBondContact O-N 3.35Å; R825-K828 PolarHBondContact O-N 2.97Å |
| 829 | S | 53.5 | Low | 56.3 | Low | 90 Ų | 90 | 110.6 Ų | 110.6 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 0.5 | 170.8 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | R825 V826 R827 | R825-S829 PolarHBondContact O-N 3.19Å; R825-S829 PolarHBondContact O-OG 3.29Å; V826-S829 WeakPolarHBondContact CA-OG 3.49Å; V826-S829 PolarHBondContact O-N 3.41Å; V826-S829 PolarHBondContact O-OG 3.12Å; R827-S829 PolarHBondContact O-N 3.33Å; R827-S829 VanDerWaalsContact O-N 3.15Å |
| 830 | T | 49.7 | Very low | 55.4 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -113.7 | 3.8 | 175.9 | 34.5 | 0 | 0 | 0 | 0 | 113.8 | V826 R827 | V826-T830 PolarHBondContact O-N 3.23Å; V826-T830 PolarHBondContact O-OG1 2.82Å; R827-T830 WeakPolarHBondContact CA-OG1 3.37Å; R827-T830 PolarHBondContact O-N 3.46Å; R827-T830 PolarHBondContact O-OG1 3.02Å |
| 831 | E | 45.6 | Very low | 54.6 | Low | 149 Ų | 149 | 115.7 Ų | 115.7 | 70% | 0.696 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -113.1 | 12 | -180 | -67.8 | 175.8 | 154.6 | 0 | 0 | 113.4 | R827 | R827-E831 PolarHBondContact O-N 2.94Š|
| 832 | L | 45.3 | Very low | 53.8 | Low | 150 Ų | 150 | 116.3 Ų | 116.3 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | -123.1 | 95.6 | -177.6 | -83.3 | 163.3 | 0 | 0 | 0 | 111.9 | ||||
| 833 | E | 41.2 | Very low | 53 | Low | 177 Ų | 177 | 117.9 Ų | 117.9 | 83% | 0.827 | 63% | 0.634 | S | S | * | * | trans | -65 | 155.4 | 163.1 | -83.7 | -68.4 | 116 | 0 | 0 | 111.3 | ||||
| 834 | P | 52.9 | Low | 52.6 | Low | 100 Ų | 100 | 120.9 Ų | 120.9 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | trans | -87 | 129.3 | -164.1 | 32.9 | -33.7 | 0 | 0 | 0 | 113.6 | ||||
| 835 | N | 42.4 | Very low | 52.1 | Low | 159 Ų | 159 | 123.7 Ų | 123.7 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | trans | -162.6 | 165.1 | 142.1 | -102.6 | -39.6 | 0 | 0 | 0 | 112.5 | ||||
| 836 | D | 38.3 | Very low | 51.8 | Low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | trans | 58.4 | 87.2 | 171.8 | -78.8 | -49.2 | 0 | 0 | 0 | 120.6 | G838 | D836-G838 PolarHBondContact O-N 3.29Š| ||
| 837 | T | 50 | Low | 51.8 | Low | 140 Ų | 140 | 124.8 Ų | 124.8 | 86% | 0.859 | 65% | 0.652 | S | S | * | * | S | Bend | 58.1 | -19.7 | 110.2 | -41.4 | 0 | 0 | 0 | 0 | 120.9 | |||
| 838 | G | 47.6 | Very low | 51.8 | Low | 56 Ų | 56 | 119.8 Ų | 119.8 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | trans | -86.7 | -10.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D836 F840 | D836-G838 PolarHBondContact O-N 3.29Å; G838-F840 PolarHBondContact O-N 2.94Å | ||
| 839 | G | 50.4 | Low | 52.2 | Low | 39 Ų | 39 | 119.5 Ų | 119.5 | 40% | 0.402 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.2 | -29.2 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | I841 T842 Q843 | G839-I841 PolarHBondContact O-N 2.73Å; G839-T842 PolarHBondContact O-OG1 3.03Å; G839-Q843 WeakPolarHBondContact O-CB 3.46Å; G839-Q843 PolarHBondContact O-N 2.75Å |
| 840 | F | 51.1 | Low | 52.8 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 70% | 0.697 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.6 | -37.8 | -165.3 | -166.4 | -106.9 | 0 | 0 | 0 | 114 | G838 K844 | G838-F840 PolarHBondContact O-N 2.94Å; F840-K844 VanDerWaalsContact O-CB 3.28Å; F840-K844 WeakPolarHBondContact O-CB 3.49Å; F840-K844 PolarHBondContact O-N 3.44Å; F840-K844 VanDerWaalsContact O-N 3.08Å |
| 841 | I | 53 | Low | 53.5 | Low | 123 Ų | 123 | 121 Ų | 121 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75 | -46.7 | -176.8 | -62.1 | 175.4 | 0 | 0 | 0 | 111 | G839 K844 Q845 | G839-I841 PolarHBondContact O-N 2.73Å; I841-K844 PolarHBondContact O-N 2.79Å; I841-Q845 PolarHBondContact O-N 3.34Å |
| 842 | T | 55.5 | Low | 54.7 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 52% | 0.521 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.8 | -33.4 | 179.6 | 49.5 | 0 | 0 | 0 | 0 | 112 | G839 K846 | G839-T842 PolarHBondContact O-OG1 3.03Å; T842-K846 PolarHBondContact O-N 3.01Å |
| 843 | Q | 54.3 | Low | 55.8 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.7 | -42.3 | 171.9 | -167.2 | 171.5 | 20.2 | 0 | 0 | 111.5 | G839 Q845 K846 I847 | G839-Q843 WeakPolarHBondContact O-CB 3.46Å; G839-Q843 PolarHBondContact O-N 2.75Å; Q843-Q845 PolarHBondContact O-N 3.22Å; Q843-K846 PolarHBondContact O-N 2.79Å; Q843-I847 HydrophobicContact CG-CD1 4.23Å; Q843-I847 WeakPolarHBondContact O-CG1 3.32Å; Q843-I847 PolarHBondContact O-N 2.84Å |
| 844 | K | 56.7 | Low | 57.3 | Low | 142 Ų | 142 | 111 Ų | 111 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.1 | -38.7 | 176 | -167 | 174.9 | -174.8 | -179.9 | 0 | 112.8 | F840 I841 I847 S848 | F840-K844 VanDerWaalsContact O-CB 3.28Å; F840-K844 WeakPolarHBondContact O-CB 3.49Å; F840-K844 PolarHBondContact O-N 3.44Å; F840-K844 VanDerWaalsContact O-N 3.08Å; I841-K844 PolarHBondContact O-N 2.79Å; K844-I847 PolarHBondContact O-N 3.07Å; K844-S848 PolarHBondContact O-N 3.02Å |
| 845 | Q | 59.3 | Low | 58 | Low | 132 Ų | 132 | 111.1 Ų | 111.1 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.5 | -41.4 | 171.8 | -74.6 | 177.6 | -24 | 0 | 0 | 112.3 | I841 Q843 S848 F849 | I841-Q845 PolarHBondContact O-N 3.34Å; Q843-Q845 PolarHBondContact O-N 3.22Å; Q845-S848 PolarHBondContact O-N 3.43Å; Q845-F849 WeakPolarHBondContact O-CB 3.32Å; Q845-F849 PolarHBondContact O-N 3.43Å |
| 846 | K | 60 | Low | 59.3 | Low | 153 Ų | 153 | 108.6 Ų | 108.6 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -41.2 | 174.6 | -104.5 | 174.4 | 176.4 | 170.1 | 0 | 112.9 | T842 Q843 F849 L850 | T842-K846 PolarHBondContact O-N 3.01Å; Q843-K846 PolarHBondContact O-N 2.79Å; K846-F849 PolarHBondContact O-N 2.77Å; K846-L850 WeakPolarHBondContact O-CB 2.93Å; K846-L850 VanDerWaalsContact O-CG 3.29Å; K846-L850 WeakPolarHBondContact O-CG 3.34Å; K846-L850 PolarHBondContact O-N 3.34Å |
| 847 | I | 62.3 | Low | 60.9 | Low | 83 Ų | 83 | 108.4 Ų | 108.4 | 43% | 0.426 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -52.5 | 175.3 | -70.8 | 164.1 | 0 | 0 | 0 | 109.6 | Q843 K844 F849 L850 E851 | Q843-I847 HydrophobicContact CG-CD1 4.23Å; Q843-I847 WeakPolarHBondContact O-CG1 3.32Å; Q843-I847 PolarHBondContact O-N 2.84Å; K844-I847 PolarHBondContact O-N 3.07Å; I847-F849 VanDerWaalsContact C-N 3.31Å; I847-F849 PolarHBondContact O-N 2.85Å; I847-L850 PolarHBondContact O-N 3.01Å; I847-E851 HydrophobicContact CG2-CG 4.19Å; I847-E851 WeakPolarHBondContact CG2-OE1 3.34Å; I847-E851 WeakPolarHBondContact O-CG 3.31Å; I847-E851 PolarHBondContact O-N 2.99Å |
| 848 | S | 62 | Low | 62.1 | Low | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 178.8 | -176.6 | 0 | 0 | 0 | 0 | 113.6 | K844 Q845 E851 N852 | K844-S848 PolarHBondContact O-N 3.02Å; Q845-S848 PolarHBondContact O-N 3.43Å; S848-E851 WeakPolarHBondContact CA-OE2 3.35Å; S848-N852 WeakPolarHBondContact O-CB 3.37Å; S848-N852 PolarHBondContact O-N 3.25Å; S848-N852 VanDerWaalsContact O-N 3.08Å |
| 849 | F | 65.3 | Low | 63.7 | Low | 138 Ų | 138 | 106.7 Ų | 106.7 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 173.8 | -178.2 | -98.2 | 0 | 0 | 0 | 112.3 | Q845 K846 I847 N853 | Q845-F849 WeakPolarHBondContact O-CB 3.32Å; Q845-F849 PolarHBondContact O-N 3.43Å; K846-F849 PolarHBondContact O-N 2.77Å; I847-F849 VanDerWaalsContact C-N 3.31Å; I847-F849 PolarHBondContact O-N 2.85Å; F849-N853 VanDerWaalsContact CE1-ND2 3.32Å; F849-N853 WeakPolarHBondContact CE1-ND2 3.49Å; F849-N853 VanDerWaalsContact CZ-ND2 3.31Å; F849-N853 WeakPolarHBondContact CZ-ND2 3.49Å; F849-N853 PolarHBondContact O-N 3.29Å; F849-N853 VanDerWaalsContact O-N 3.08Å; F849-N853 PolarHBondContact O-ND2 3.29Å |
| 850 | L | 67.3 | Low | 65.1 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -41.2 | 177.4 | -72.6 | 168.7 | 0 | 0 | 0 | 111.8 | K846 I847 N853 L854 | K846-L850 WeakPolarHBondContact O-CB 2.93Å; K846-L850 VanDerWaalsContact O-CG 3.29Å; K846-L850 WeakPolarHBondContact O-CG 3.34Å; K846-L850 PolarHBondContact O-N 3.34Å; I847-L850 PolarHBondContact O-N 3.01Å; L850-N853 PolarHBondContact O-N 3.41Å; L850-L854 VanDerWaalsContact O-CB 3.26Å; L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 PolarHBondContact O-N 2.9Å |
| 851 | E | 62.8 | Low | 66.3 | Low | 121 Ų | 121 | 107.2 Ų | 107.2 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.5 | -48.3 | 175.1 | -72.6 | 169 | 154.1 | 0 | 0 | 111.3 | I847 S848 N853 L854 E855 | I847-E851 HydrophobicContact CG2-CG 4.19Å; I847-E851 WeakPolarHBondContact CG2-OE1 3.34Å; I847-E851 WeakPolarHBondContact O-CG 3.31Å; I847-E851 PolarHBondContact O-N 2.99Å; S848-E851 WeakPolarHBondContact CA-OE2 3.35Å; E851-N853 PolarHBondContact O-N 2.88Å; E851-L854 PolarHBondContact O-N 3.21Å; E851-E855 WeakPolarHBondContact O-CB 3.46Å; E851-E855 PolarHBondContact O-N 3.31Å |
| 852 | N | 70.4 | Confident | 67.7 | Low | 80 Ų | 80 | 108 Ų | 108 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 178.2 | -168.7 | -16.8 | 0 | 0 | 0 | 112 | S848 L854 E855 Q856 | S848-N852 WeakPolarHBondContact O-CB 3.37Å; S848-N852 PolarHBondContact O-N 3.25Å; S848-N852 VanDerWaalsContact O-N 3.08Å; N852-L854 PolarHBondContact O-N 3.29Å; N852-E855 PolarHBondContact O-N 3.24Å; N852-Q856 WeakPolarHBondContact O-CG 3.38Å; N852-Q856 PolarHBondContact O-N 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.89Å |
| 853 | N | 69.1 | Low | 69 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.2 | -83.4 | -92.2 | 0 | 0 | 0 | 112.4 | F849 L850 E851 E855 Q856 L857 | F849-N853 VanDerWaalsContact CE1-ND2 3.32Å; F849-N853 WeakPolarHBondContact CE1-ND2 3.49Å; F849-N853 VanDerWaalsContact CZ-ND2 3.31Å; F849-N853 WeakPolarHBondContact CZ-ND2 3.49Å; F849-N853 PolarHBondContact O-N 3.29Å; F849-N853 VanDerWaalsContact O-N 3.08Å; F849-N853 PolarHBondContact O-ND2 3.29Å; L850-N853 PolarHBondContact O-N 3.41Å; E851-N853 PolarHBondContact O-N 2.88Å; N853-E855 VanDerWaalsContact C-N 3.34Å; N853-Q856 PolarHBondContact O-N 3.06Å; N853-L857 WeakPolarHBondContact O-CB 3.32Å; N853-L857 PolarHBondContact O-N 3.14Å |
| 854 | L | 72.6 | Confident | 70.1 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.2 | -33.6 | 179 | -157 | 156.2 | 0 | 0 | 0 | 111 | L850 E851 N852 S858 | L850-L854 VanDerWaalsContact O-CB 3.26Å; L850-L854 WeakPolarHBondContact O-CB 3.45Å; L850-L854 PolarHBondContact O-N 2.9Å; E851-L854 PolarHBondContact O-N 3.21Å; N852-L854 PolarHBondContact O-N 3.29Å; L854-S858 VanDerWaalsContact O-CB 3.26Å; L854-S858 WeakPolarHBondContact O-CB 3.42Å; L854-S858 PolarHBondContact O-N 3.22Å; L854-S858 PolarHBondContact O-OG 3.18Å |
| 855 | E | 67.8 | Low | 71.4 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 170.5 | -158.1 | -162.5 | 151.9 | 0 | 0 | 112 | E851 N852 N853 S858 K859 | E851-E855 WeakPolarHBondContact O-CB 3.46Å; E851-E855 PolarHBondContact O-N 3.31Å; N852-E855 PolarHBondContact O-N 3.24Å; N853-E855 VanDerWaalsContact C-N 3.34Å; E855-S858 WeakPolarHBondContact O-CB 3.47Å; E855-S858 PolarHBondContact O-N 3.33Å; E855-K859 VanDerWaalsContact CD-NZ 3.29Å; E855-K859 WeakPolarHBondContact O-CG 3.46Å; E855-K859 PolarHBondContact O-N 3.36Å; E855-K859 WeakPolarHBondContact OE1-CE 3.45Å; E855-K859 IonicContact OE1-NZ 3.37Å; E855-K859 PolarHBondContact OE1-NZ 3.4Å; E855-K859 IonicContact OE2-NZ 2.66Å |
| 856 | Q | 69.3 | Low | 72.5 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174 | -73.4 | -175.6 | 27.2 | 0 | 0 | 112 | N852 N853 S858 K859 V860 | N852-Q856 WeakPolarHBondContact O-CG 3.38Å; N852-Q856 PolarHBondContact O-N 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.89Å; N853-Q856 PolarHBondContact O-N 3.06Å; Q856-S858 VanDerWaalsContact C-N 3.25Å; Q856-S858 PolarHBondContact O-N 3.07Å; Q856-K859 WeakPolarHBondContact O-CB 3.25Å; Q856-K859 PolarHBondContact O-N 3.28Å; Q856-V860 WeakPolarHBondContact O-CG2 3.4Å; Q856-V860 PolarHBondContact O-N 3.5Å |
| 857 | L | 72.1 | Confident | 73.3 | Confident | 128 Ų | 128 | 99 Ų | 99 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -37.9 | 175.9 | -161.2 | 74 | 0 | 0 | 0 | 111.2 | N853 V860 H861 | N853-L857 WeakPolarHBondContact O-CB 3.32Å; N853-L857 PolarHBondContact O-N 3.14Å; L857-V860 PolarHBondContact O-N 2.89Å; L857-H861 WeakPolarHBondContact O-CB 3.29Å; L857-H861 PolarHBondContact O-N 2.98Å |
| 858 | S | 74.4 | Confident | 73.9 | Confident | 46 Ų | 46 | 98.8 Ų | 98.8 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 173.5 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | L854 E855 Q856 K862 | L854-S858 VanDerWaalsContact O-CB 3.26Å; L854-S858 WeakPolarHBondContact O-CB 3.42Å; L854-S858 PolarHBondContact O-N 3.22Å; L854-S858 PolarHBondContact O-OG 3.18Å; E855-S858 WeakPolarHBondContact O-CB 3.47Å; E855-S858 PolarHBondContact O-N 3.33Å; Q856-S858 VanDerWaalsContact C-N 3.25Å; Q856-S858 PolarHBondContact O-N 3.07Å; S858-K862 VanDerWaalsContact O-CB 3.26Å; S858-K862 WeakPolarHBondContact O-CB 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.37Å; S858-K862 PolarHBondContact O-N 3.07Å |
| 859 | K | 81.3 | Confident | 74.9 | Confident | 113 Ų | 113 | 97.7 Ų | 97.7 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -46 | 174 | -74.8 | 164.8 | -176.9 | 165.4 | 0 | 111.1 | E855 Q856 K862 Q863 | E855-K859 VanDerWaalsContact CD-NZ 3.29Å; E855-K859 WeakPolarHBondContact O-CG 3.46Å; E855-K859 PolarHBondContact O-N 3.36Å; E855-K859 WeakPolarHBondContact OE1-CE 3.45Å; E855-K859 IonicContact OE1-NZ 3.37Å; E855-K859 PolarHBondContact OE1-NZ 3.4Å; E855-K859 IonicContact OE2-NZ 2.66Å; Q856-K859 WeakPolarHBondContact O-CB 3.25Å; Q856-K859 PolarHBondContact O-N 3.28Å; K859-K862 CarbonylContact O-C 3.58Å; K859-K862 PolarHBondContact O-N 3.43Å; K859-Q863 PolarHBondContact O-N 2.87Å |
| 860 | V | 79.8 | Confident | 75.4 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | Q856 L857 K862 Q863 L864 | Q856-V860 WeakPolarHBondContact O-CG2 3.4Å; Q856-V860 PolarHBondContact O-N 3.5Å; L857-V860 PolarHBondContact O-N 2.89Å; V860-K862 PolarHBondContact O-N 3.25Å; V860-Q863 WeakPolarHBondContact O-CB 3.47Å; V860-Q863 PolarHBondContact O-N 3.5Å; V860-L864 HydrophobicContact CG1-CD1 4.09Å; V860-L864 PolarHBondContact O-N 3.07Å |
| 861 | H | 77.5 | Confident | 75.8 | Confident | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 176.2 | -174.6 | 68.7 | 0 | 0 | 0 | 112 | L857 Q863 L864 V865 | L857-H861 WeakPolarHBondContact O-CB 3.29Å; L857-H861 PolarHBondContact O-N 2.98Å; H861-Q863 PolarHBondContact O-N 2.96Å; H861-L864 PolarHBondContact O-N 2.89Å; H861-V865 WeakPolarHBondContact O-CB 3.47Å; H861-V865 VanDerWaalsContact O-CG2 3.29Å; H861-V865 WeakPolarHBondContact O-CG2 3.47Å; H861-V865 PolarHBondContact O-N 3.09Å |
| 862 | K | 82.1 | Confident | 76.6 | Confident | 138 Ų | 138 | 99.4 Ų | 99.4 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -20.1 | 173.5 | -75.4 | 173.3 | -179.6 | 178.9 | 0 | 113.7 | S858 K859 V860 R866 | S858-K862 VanDerWaalsContact O-CB 3.26Å; S858-K862 WeakPolarHBondContact O-CB 3.46Å; S858-K862 WeakPolarHBondContact O-CG 3.37Å; S858-K862 PolarHBondContact O-N 3.07Å; K859-K862 CarbonylContact O-C 3.58Å; K859-K862 PolarHBondContact O-N 3.43Å; V860-K862 PolarHBondContact O-N 3.25Å; K862-R866 PolarHBondContact O-NE 2.93Å; K862-R866 PolarHBondContact O-NH2 3.46Å |
| 863 | Q | 81.8 | Confident | 77.1 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -79.4 | -56 | 172.4 | -167.2 | 59.4 | 51.4 | 0 | 0 | 109.8 | K859 V860 H861 V865 R866 D867 | K859-Q863 PolarHBondContact O-N 2.87Å; V860-Q863 WeakPolarHBondContact O-CB 3.47Å; V860-Q863 PolarHBondContact O-N 3.5Å; H861-Q863 PolarHBondContact O-N 2.96Å; Q863-V865 PolarHBondContact O-N 3.26Å; Q863-V865 VanDerWaalsContact O-N 3.09Å; Q863-R866 CarbonylContact O-C 3.57Å; Q863-R866 WeakPolarHBondContact O-CA 3.44Å; Q863-R866 WeakPolarHBondContact O-CB 3.34Å; Q863-R866 PolarHBondContact O-N 3.12Å; Q863-R866 VanDerWaalsContact OE1-CZ 3.24Å; Q863-D867 VanDerWaalsContact C-OD2 3.31Å; Q863-D867 PolarHBondContact NE2-OD1 3.29Å; Q863-D867 PolarHBondContact O-N 3.12Å |
| 864 | L | 77.8 | Confident | 77.4 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.4 | -34.3 | 178.1 | -72.8 | 168.8 | 0 | 0 | 0 | 113.7 | V860 H861 N868 | V860-L864 HydrophobicContact CG1-CD1 4.09Å; V860-L864 PolarHBondContact O-N 3.07Å; H861-L864 PolarHBondContact O-N 2.89Å; L864-N868 VanDerWaalsContact O-CB 3.32Å; L864-N868 WeakPolarHBondContact O-CB 3.46Å; L864-N868 PolarHBondContact O-N 3.29Å; L864-N868 PolarHBondContact O-ND2 3.2Å |
| 865 | V | 84.2 | Confident | 77.4 | Confident | 84 Ų | 84 | 98.7 Ų | 98.7 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 174.6 | 169.3 | 0 | 0 | 0 | 0 | 112.6 | H861 Q863 A869 | H861-V865 WeakPolarHBondContact O-CB 3.47Å; H861-V865 VanDerWaalsContact O-CG2 3.29Å; H861-V865 WeakPolarHBondContact O-CG2 3.47Å; H861-V865 PolarHBondContact O-N 3.09Å; Q863-V865 PolarHBondContact O-N 3.26Å; Q863-V865 VanDerWaalsContact O-N 3.09Å; V865-A869 PolarHBondContact O-N 3.43Å |
| 866 | R | 82.3 | Confident | 77.9 | Confident | 128 Ų | 128 | 97 Ų | 97 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.1 | -48 | 172.5 | -81.3 | 176.9 | -73.7 | 141.2 | 8 | 110.9 | K862 Q863 N868 A869 D870 | K862-R866 PolarHBondContact O-NE 2.93Å; K862-R866 PolarHBondContact O-NH2 3.46Å; Q863-R866 CarbonylContact O-C 3.57Å; Q863-R866 WeakPolarHBondContact O-CA 3.44Å; Q863-R866 WeakPolarHBondContact O-CB 3.34Å; Q863-R866 PolarHBondContact O-N 3.12Å; Q863-R866 VanDerWaalsContact OE1-CZ 3.24Å; R866-N868 PolarHBondContact O-N 3.41Å; R866-A869 CarbonylContact O-C 3.56Å; R866-A869 WeakPolarHBondContact O-CA 3.45Å; R866-A869 WeakPolarHBondContact O-CB 3.46Å; R866-A869 PolarHBondContact O-N 3.42Å; R866-D870 PolarHBondContact O-N 3.36Å |
| 867 | D | 77.4 | Confident | 78.4 | Confident | 59 Ų | 59 | 97 Ų | 97 | 32% | 0.316 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 178.4 | -47.9 | -31.9 | 0 | 0 | 0 | 111.2 | Q863 D870 L871 | Q863-D867 VanDerWaalsContact C-OD2 3.31Å; Q863-D867 PolarHBondContact NE2-OD1 3.29Å; Q863-D867 PolarHBondContact O-N 3.12Å; D867-D870 PolarHBondContact O-N 3.31Å; D867-L871 WeakPolarHBondContact O-CB 3.41Å; D867-L871 VanDerWaalsContact O-CG 3.25Å; D867-L871 WeakPolarHBondContact O-CG 3.36Å; D867-L871 PolarHBondContact O-N 2.91Å |
| 868 | N | 74.8 | Confident | 78.4 | Confident | 79 Ų | 79 | 95.7 Ų | 95.7 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -31.7 | 172.8 | -90.7 | -94.7 | 0 | 0 | 0 | 113.8 | L864 R866 R872 | L864-N868 VanDerWaalsContact O-CB 3.32Å; L864-N868 WeakPolarHBondContact O-CB 3.46Å; L864-N868 PolarHBondContact O-N 3.29Å; L864-N868 PolarHBondContact O-ND2 3.2Å; R866-N868 PolarHBondContact O-N 3.41Å; N868-R872 WeakPolarHBondContact O-CB 3.48Å; N868-R872 WeakPolarHBondContact O-CD 3.41Å; N868-R872 WeakPolarHBondContact O-CG 3.29Å; N868-R872 PolarHBondContact O-N 2.94Å |
| 869 | A | 83.1 | Confident | 78.6 | Confident | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.9 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V865 R866 R872 C873 | V865-A869 PolarHBondContact O-N 3.43Å; R866-A869 CarbonylContact O-C 3.56Å; R866-A869 WeakPolarHBondContact O-CA 3.45Å; R866-A869 WeakPolarHBondContact O-CB 3.46Å; R866-A869 PolarHBondContact O-N 3.42Å; A869-R872 PolarHBondContact O-N 3.29Å; A869-C873 PolarHBondContact O-N 3.33Å; A869-C873 PolarHBondContact O-SG 3.44Å; A869-C873 VanDerWaalsContact O-SG 3.36Å |
| 870 | D | 76.4 | Confident | 78.7 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 178.9 | -65.8 | -33.9 | 0 | 0 | 0 | 111.5 | R866 D867 R872 C873 E874 | R866-D870 PolarHBondContact O-N 3.36Å; D867-D870 PolarHBondContact O-N 3.31Å; D870-R872 VanDerWaalsContact C-N 3.33Å; D870-R872 PolarHBondContact O-N 3.18Å; D870-C873 CarbonylContact O-C 3.2Å; D870-C873 WeakPolarHBondContact O-CA 3.31Å; D870-C873 WeakPolarHBondContact O-CB 3.47Å; D870-C873 PolarHBondContact O-N 2.94Å; D870-E874 PolarHBondContact O-N 3.31Å |
| 871 | L | 74.9 | Confident | 78.8 | Confident | 119 Ų | 119 | 103 Ų | 103 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 172.2 | -74.2 | 168.7 | 0 | 0 | 0 | 112.5 | D867 C873 E874 L875 | D867-L871 WeakPolarHBondContact O-CB 3.41Å; D867-L871 VanDerWaalsContact O-CG 3.25Å; D867-L871 WeakPolarHBondContact O-CG 3.36Å; D867-L871 PolarHBondContact O-N 2.91Å; L871-C873 VanDerWaalsContact C-N 3.26Å; L871-C873 PolarHBondContact O-N 3.38Å; L871-E874 PolarHBondContact O-N 2.68Å; L871-L875 WeakPolarHBondContact O-CB 3.38Å; L871-L875 PolarHBondContact O-N 3.48Å |
| 872 | R | 79.2 | Confident | 78.8 | Confident | 187 Ų | 187 | 103.1 Ų | 103.1 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.6 | -24.7 | 173.7 | -75.2 | 170.2 | 179.9 | 173.8 | 0.8 | 113 | N868 A869 D870 P876 | N868-R872 WeakPolarHBondContact O-CB 3.48Å; N868-R872 WeakPolarHBondContact O-CD 3.41Å; N868-R872 WeakPolarHBondContact O-CG 3.29Å; N868-R872 PolarHBondContact O-N 2.94Å; A869-R872 PolarHBondContact O-N 3.29Å; D870-R872 VanDerWaalsContact C-N 3.33Å; D870-R872 PolarHBondContact O-N 3.18Å; R872-P876 WeakPolarHBondContact O-CD 3.34Å |
| 873 | C | 80.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 102.9 Ų | 102.9 | 51% | 0.507 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -82.8 | -29.2 | 173.6 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | A869 D870 L871 K877 | A869-C873 PolarHBondContact O-N 3.33Å; A869-C873 PolarHBondContact O-SG 3.44Å; A869-C873 VanDerWaalsContact O-SG 3.36Å; D870-C873 CarbonylContact O-C 3.2Å; D870-C873 WeakPolarHBondContact O-CA 3.31Å; D870-C873 WeakPolarHBondContact O-CB 3.47Å; D870-C873 PolarHBondContact O-N 2.94Å; L871-C873 VanDerWaalsContact C-N 3.26Å; L871-C873 PolarHBondContact O-N 3.38Å; C873-K877 VanDerWaalsContact O-CE 3.22Å; C873-K877 WeakPolarHBondContact O-CE 3.31Å |
| 874 | E | 76.2 | Confident | 78.9 | Confident | 77 Ų | 77 | 102.4 Ų | 102.4 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -81.5 | -35.9 | 176.7 | -75.7 | -54.9 | 127.7 | 0 | 0 | 113.8 | D870 L871 K877 L878 | D870-E874 PolarHBondContact O-N 3.31Å; L871-E874 PolarHBondContact O-N 2.68Å; E874-K877 WeakPolarHBondContact O-CA 3.46Å; E874-K877 WeakPolarHBondContact O-CB 3.42Å; E874-K877 PolarHBondContact O-N 3.38Å; E874-K877 WeakPolarHBondContact OE1-CD 3.39Å; E874-K877 WeakPolarHBondContact OE1-CE 3.36Å; E874-K877 IonicContact OE1-NZ 3.77Å; E874-K877 PolarHBondContact OE1-NZ 2.96Å; E874-L878 PolarHBondContact O-N 3.48Å |
| 875 | L | 72.9 | Confident | 78.9 | Confident | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -54.2 | -45.7 | -176.8 | -168.5 | 159.1 | 0 | 0 | 0 | 113 | L871 K877 L878 E879 | L871-L875 WeakPolarHBondContact O-CB 3.38Å; L871-L875 PolarHBondContact O-N 3.48Å; L875-K877 VanDerWaalsContact C-N 3.29Å; L875-K877 PolarHBondContact O-N 2.91Å; L875-L878 PolarHBondContact O-N 3.32Å; L875-E879 HydrophobicContact CD2-CG 4.23Å; L875-E879 WeakPolarHBondContact CD2-OE1 3.29Å; L875-E879 PolarHBondContact O-N 3.11Å |
| 876 | P | 78.1 | Confident | 78.5 | Confident | 67 Ų | 67 | 99.7 Ų | 99.7 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -27.1 | 174.4 | -22 | 34.5 | 0 | 0 | 0 | 114.3 | R872 K880 | R872-P876 WeakPolarHBondContact O-CD 3.34Å; P876-K880 WeakPolarHBondContact O-CB 3.41Å; P876-K880 PolarHBondContact O-N 2.96Å |
| 877 | K | 78.8 | Confident | 78.7 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 45% | 0.452 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -40.6 | 176.6 | -57.1 | 174.6 | -167.6 | 167.7 | 0 | 110.6 | C873 E874 L875 K880 R881 | C873-K877 VanDerWaalsContact O-CE 3.22Å; C873-K877 WeakPolarHBondContact O-CE 3.31Å; E874-K877 WeakPolarHBondContact O-CA 3.46Å; E874-K877 WeakPolarHBondContact O-CB 3.42Å; E874-K877 PolarHBondContact O-N 3.38Å; E874-K877 WeakPolarHBondContact OE1-CD 3.39Å; E874-K877 WeakPolarHBondContact OE1-CE 3.36Å; E874-K877 IonicContact OE1-NZ 3.77Å; E874-K877 PolarHBondContact OE1-NZ 2.96Å; L875-K877 VanDerWaalsContact C-N 3.29Å; L875-K877 PolarHBondContact O-N 2.91Å; K877-K880 PolarHBondContact O-N 3.45Å; K877-R881 WeakPolarHBondContact O-CG 3.37Å; K877-R881 PolarHBondContact O-N 3.16Å |
| 878 | L | 73.5 | Confident | 79.1 | Confident | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.1 | -71.1 | 168.5 | 0 | 0 | 0 | 111.2 | E874 L875 K880 R881 L882 | E874-L878 PolarHBondContact O-N 3.48Å; L875-L878 PolarHBondContact O-N 3.32Å; L878-K880 VanDerWaalsContact C-N 3.32Å; L878-K880 PolarHBondContact O-N 3Å; L878-R881 PolarHBondContact O-N 3.39Å; L878-L882 PolarHBondContact O-N 2.88Å |
| 879 | E | 76.6 | Confident | 79.4 | Confident | 78 Ų | 78 | 104.5 Ų | 104.5 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 172.6 | -70.4 | -174.7 | -167.9 | 0 | 0 | 112.6 | L875 L882 R883 | L875-E879 HydrophobicContact CD2-CG 4.23Å; L875-E879 WeakPolarHBondContact CD2-OE1 3.29Å; L875-E879 PolarHBondContact O-N 3.11Å; E879-L882 PolarHBondContact O-N 2.89Å; E879-R883 VanDerWaalsContact CB-NH2 3.27Å; E879-R883 WeakPolarHBondContact O-CB 3.42Å; E879-R883 WeakPolarHBondContact O-CG 3.4Å; E879-R883 PolarHBondContact O-N 3.46Å; E879-R883 IonicContact OE2-CZ 3.52Å; E879-R883 IonicContact OE2-NH1 3.45Å; E879-R883 PolarHBondContact OE2-NH1 3.43Å; E879-R883 IonicContact OE2-NH2 2.67Å; E879-R883 PolarHBondContact OE2-NH2 2.96Å |
| 880 | K | 85.1 | Confident | 79.6 | Confident | 155 Ų | 155 | 109.5 Ų | 109.5 | 67% | 0.674 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.8 | -38.1 | 178.8 | -170.4 | 175.2 | -178.4 | 178.9 | 0 | 111.9 | P876 K877 L878 S884 | P876-K880 WeakPolarHBondContact O-CB 3.41Å; P876-K880 PolarHBondContact O-N 2.96Å; K877-K880 PolarHBondContact O-N 3.45Å; L878-K880 VanDerWaalsContact C-N 3.32Å; L878-K880 PolarHBondContact O-N 3Å; K880-S884 WeakPolarHBondContact O-CB 3.38Å; K880-S884 PolarHBondContact O-N 3.46Å |
| 881 | R | 81.3 | Confident | 80 | Confident | 166 Ų | 166 | 107.8 Ų | 107.8 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 171.2 | -74 | 174.6 | 175.8 | 165.8 | 0.3 | 111.4 | K877 L878 S884 T885 | K877-R881 WeakPolarHBondContact O-CG 3.37Å; K877-R881 PolarHBondContact O-N 3.16Å; L878-R881 PolarHBondContact O-N 3.39Å; R881-S884 PolarHBondContact O-N 3.43Å; R881-T885 WeakPolarHBondContact O-CB 3.46Å; R881-T885 PolarHBondContact O-N 2.93Å; R881-T885 PolarHBondContact O-OG1 3.23Å |
| 882 | L | 76.4 | Confident | 80.4 | Confident | 127 Ų | 127 | 107.5 Ų | 107.5 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -48.4 | 178.2 | -175.2 | 62.9 | 0 | 0 | 0 | 111.8 | L878 E879 T885 A886 | L878-L882 PolarHBondContact O-N 2.88Å; E879-L882 PolarHBondContact O-N 2.89Å; L882-T885 PolarHBondContact O-N 3.14Å; L882-A886 PolarHBondContact O-N 2.88Å |
| 883 | R | 83.7 | Confident | 80.5 | Confident | 132 Ų | 132 | 104.3 Ų | 104.3 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.4 | -75.5 | -174.2 | -80.3 | -100.8 | 1.4 | 112 | E879 T885 A886 E887 | E879-R883 VanDerWaalsContact CB-NH2 3.27Å; E879-R883 WeakPolarHBondContact O-CB 3.42Å; E879-R883 WeakPolarHBondContact O-CG 3.4Å; E879-R883 PolarHBondContact O-N 3.46Å; E879-R883 IonicContact OE2-CZ 3.52Å; E879-R883 IonicContact OE2-NH1 3.45Å; E879-R883 PolarHBondContact OE2-NH1 3.43Å; E879-R883 IonicContact OE2-NH2 2.67Å; E879-R883 PolarHBondContact OE2-NH2 2.96Å; R883-T885 VanDerWaalsContact C-N 3.27Å; R883-T885 PolarHBondContact O-N 3.39Å; R883-A886 PolarHBondContact O-N 2.88Å; R883-E887 WeakPolarHBondContact O-CG 3.48Å; R883-E887 PolarHBondContact O-N 3.27Å |
| 884 | S | 84 | Confident | 80.8 | Confident | 70 Ų | 70 | 102.1 Ų | 102.1 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -32.4 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 113.3 | K880 R881 R888 | K880-S884 WeakPolarHBondContact O-CB 3.38Å; K880-S884 PolarHBondContact O-N 3.46Å; R881-S884 PolarHBondContact O-N 3.43Å; S884-R888 WeakPolarHBondContact O-CB 3.36Å; S884-R888 PolarHBondContact O-N 2.82Å; S884-R888 VanDerWaalsContact O-N 3.08Å |
| 885 | T | 77.4 | Confident | 81.2 | Confident | 66 Ų | 66 | 101 Ų | 101 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -42.3 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | R881 L882 R883 R888 V889 | R881-T885 WeakPolarHBondContact O-CB 3.46Å; R881-T885 PolarHBondContact O-N 2.93Å; R881-T885 PolarHBondContact O-OG1 3.23Å; L882-T885 PolarHBondContact O-N 3.14Å; R883-T885 VanDerWaalsContact C-N 3.27Å; R883-T885 PolarHBondContact O-N 3.39Å; T885-R888 PolarHBondContact O-N 2.95Å; T885-V889 WeakPolarHBondContact O-CG2 3.49Å; T885-V889 PolarHBondContact O-N 3.47Å |
| 886 | A | 75.1 | Confident | 81.5 | Confident | 56 Ų | 56 | 102.3 Ų | 102.3 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L882 R883 R888 V889 K890 | L882-A886 PolarHBondContact O-N 2.88Å; R883-A886 PolarHBondContact O-N 2.88Å; A886-R888 VanDerWaalsContact C-N 3.34Å; A886-R888 PolarHBondContact O-N 3.39Å; A886-V889 PolarHBondContact O-N 3.41Å; A886-K890 WeakPolarHBondContact O-CB 3.47Å; A886-K890 PolarHBondContact O-N 3.34Å |
| 887 | E | 86.4 | Confident | 81.9 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 172.6 | -72.7 | 166.4 | 169.1 | 0 | 0 | 111.6 | R883 K890 A891 | R883-E887 WeakPolarHBondContact O-CG 3.48Å; R883-E887 PolarHBondContact O-N 3.27Å; E887-K890 PolarHBondContact O-N 3.35Å; E887-A891 WeakPolarHBondContact O-CB 3.32Å; E887-A891 PolarHBondContact O-N 2.95Å |
| 888 | R | 86.7 | Confident | 82.3 | Confident | 166 Ų | 166 | 107.1 Ų | 107.1 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66 | -40.1 | 175.9 | -171.8 | -179.7 | 67.1 | 179.3 | 0.4 | 112.6 | S884 T885 A886 A891 L892 | S884-R888 WeakPolarHBondContact O-CB 3.36Å; S884-R888 PolarHBondContact O-N 2.82Å; S884-R888 VanDerWaalsContact O-N 3.08Å; T885-R888 PolarHBondContact O-N 2.95Å; A886-R888 VanDerWaalsContact C-N 3.34Å; A886-R888 PolarHBondContact O-N 3.39Å; R888-A891 PolarHBondContact O-N 2.99Å; R888-L892 HydrophobicContact CG-CD1 4.37Å; R888-L892 WeakPolarHBondContact O-CG 3.38Å; R888-L892 PolarHBondContact O-N 2.85Å; R888-L892 VanDerWaalsContact O-N 3.08Å |
| 889 | V | 81.3 | Confident | 82.7 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 174 | 169.2 | 0 | 0 | 0 | 0 | 110 | T885 A886 A891 L892 E893 | T885-V889 WeakPolarHBondContact O-CG2 3.49Å; T885-V889 PolarHBondContact O-N 3.47Å; A886-V889 PolarHBondContact O-N 3.41Å; V889-A891 VanDerWaalsContact C-N 3.28Å; V889-A891 PolarHBondContact O-N 3.07Å; V889-L892 WeakPolarHBondContact O-CB 3.43Å; V889-L892 PolarHBondContact O-N 3.01Å; V889-E893 HydrophobicContact CG1-CG 4.32Å; V889-E893 WeakPolarHBondContact CG1-OE1 3.31Å; V889-E893 WeakPolarHBondContact O-CG 3.48Å; V889-E893 PolarHBondContact O-N 3.45Å |
| 890 | K | 86.7 | Confident | 83.1 | Confident | 153 Ų | 153 | 107.9 Ų | 107.9 | 67% | 0.665 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.3 | -35.5 | 177.9 | -170.1 | 179.1 | -178.8 | -178.2 | 0 | 113.4 | A886 E887 G894 | A886-K890 WeakPolarHBondContact O-CB 3.47Å; A886-K890 PolarHBondContact O-N 3.34Å; E887-K890 PolarHBondContact O-N 3.35Å; K890-G894 PolarHBondContact O-N 2.93Å |
| 891 | A | 84.6 | Confident | 83.2 | Confident | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E887 R888 V889 G894 A895 | E887-A891 WeakPolarHBondContact O-CB 3.32Å; E887-A891 PolarHBondContact O-N 2.95Å; R888-A891 PolarHBondContact O-N 2.99Å; V889-A891 VanDerWaalsContact C-N 3.28Å; V889-A891 PolarHBondContact O-N 3.07Å; A891-G894 PolarHBondContact O-N 3.34Å; A891-A895 PolarHBondContact O-N 3.02Å |
| 892 | L | 82.7 | Confident | 83.3 | Confident | 113 Ų | 113 | 97.3 Ų | 97.3 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | 175.4 | -69.4 | 167.5 | 0 | 0 | 0 | 112.1 | R888 V889 G894 A895 L896 | R888-L892 HydrophobicContact CG-CD1 4.37Å; R888-L892 WeakPolarHBondContact O-CG 3.38Å; R888-L892 PolarHBondContact O-N 2.85Å; R888-L892 VanDerWaalsContact O-N 3.08Å; V889-L892 WeakPolarHBondContact O-CB 3.43Å; V889-L892 PolarHBondContact O-N 3.01Å; L892-G894 VanDerWaalsContact C-N 3.34Å; L892-A895 PolarHBondContact O-N 3.4Å; L892-L896 VanDerWaalsContact O-CB 3.29Å; L892-L896 WeakPolarHBondContact O-CB 3.34Å; L892-L896 PolarHBondContact O-N 2.99Å |
| 893 | E | 82.8 | Confident | 83.5 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -42 | 171.6 | -70.2 | 169.3 | 166 | 0 | 0 | 111.6 | V889 L896 K897 | V889-E893 HydrophobicContact CG1-CG 4.32Å; V889-E893 WeakPolarHBondContact CG1-OE1 3.31Å; V889-E893 WeakPolarHBondContact O-CG 3.48Å; V889-E893 PolarHBondContact O-N 3.45Å; E893-L896 PolarHBondContact O-N 2.83Å; E893-K897 WeakPolarHBondContact O-CB 3.46Å; E893-K897 PolarHBondContact O-N 2.85Å |
| 894 | G | 86.8 | Confident | 83.5 | Confident | 29 Ų | 29 | 94.5 Ų | 94.5 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -52.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K890 A891 L892 L896 K897 E898 | K890-G894 PolarHBondContact O-N 2.93Å; A891-G894 PolarHBondContact O-N 3.34Å; L892-G894 VanDerWaalsContact C-N 3.34Å; G894-L896 VanDerWaalsContact C-N 3.31Å; G894-L896 PolarHBondContact O-N 2.84Å; G894-K897 WeakPolarHBondContact O-CB 3.34Å; G894-K897 PolarHBondContact O-N 3.06Å; G894-K897 VanDerWaalsContact O-N 3.1Å; G894-E898 PolarHBondContact O-N 3.03Å |
| 895 | A | 85.1 | Confident | 83.5 | Confident | 53 Ų | 53 | 96.4 Ų | 96.4 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A891 L892 E898 A899 | A891-A895 PolarHBondContact O-N 3.02Å; L892-A895 PolarHBondContact O-N 3.4Å; A895-E898 PolarHBondContact O-N 2.74Å; A895-A899 WeakPolarHBondContact O-CB 3.45Å; A895-A899 PolarHBondContact O-N 3.13Å |
| 896 | L | 78.5 | Confident | 83.8 | Confident | 129 Ų | 129 | 96.6 Ų | 96.6 | 68% | 0.675 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 174.7 | -177.5 | 63.5 | 0 | 0 | 0 | 111.8 | L892 E893 G894 K900 | L892-L896 VanDerWaalsContact O-CB 3.29Å; L892-L896 WeakPolarHBondContact O-CB 3.34Å; L892-L896 PolarHBondContact O-N 2.99Å; E893-L896 PolarHBondContact O-N 2.83Å; G894-L896 VanDerWaalsContact C-N 3.31Å; G894-L896 PolarHBondContact O-N 2.84Å; L896-K900 WeakPolarHBondContact O-CB 3.28Å; L896-K900 PolarHBondContact O-N 3.16Å |
| 897 | K | 87.1 | Confident | 84.2 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 174.2 | -169.9 | -176.1 | -176.8 | -98.8 | 0 | 111.5 | E893 G894 A899 K900 E901 | E893-K897 WeakPolarHBondContact O-CB 3.46Å; E893-K897 PolarHBondContact O-N 2.85Å; G894-K897 WeakPolarHBondContact O-CB 3.34Å; G894-K897 PolarHBondContact O-N 3.06Å; G894-K897 VanDerWaalsContact O-N 3.1Å; K897-A899 PolarHBondContact O-N 3.01Å; K897-K900 PolarHBondContact O-N 3.05Å; K897-E901 IonicContact NZ-OE1 3.81Å; K897-E901 PolarHBondContact NZ-OE1 3.2Å; K897-E901 PolarHBondContact O-N 3.18Å |
| 898 | E | 86.6 | Confident | 84.1 | Confident | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 177.3 | -72.5 | 177.5 | -175.7 | 0 | 0 | 111.8 | G894 A895 E901 G902 | G894-E898 PolarHBondContact O-N 3.03Å; A895-E898 PolarHBondContact O-N 2.74Å; E898-E901 PolarHBondContact O-N 2.81Å; E898-G902 PolarHBondContact O-N 3.42Å |
| 899 | A | 82.6 | Confident | 83.9 | Confident | 62 Ų | 62 | 100 Ų | 100 | 51% | 0.512 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A895 K897 G902 A903 | A895-A899 WeakPolarHBondContact O-CB 3.45Å; A895-A899 PolarHBondContact O-N 3.13Å; K897-A899 PolarHBondContact O-N 3.01Å; A899-G902 PolarHBondContact O-N 3.14Å; A899-A903 WeakPolarHBondContact O-CB 3.37Å; A899-A903 PolarHBondContact O-N 3.3Å |
| 900 | K | 84.3 | Confident | 84 | Confident | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 174.9 | -173.6 | -178.8 | 177.9 | -175.4 | 0 | 111.8 | L896 K897 M904 | L896-K900 WeakPolarHBondContact O-CB 3.28Å; L896-K900 PolarHBondContact O-N 3.16Å; K897-K900 PolarHBondContact O-N 3.05Å; K900-M904 WeakPolarHBondContact O-CB 3.3Å; K900-M904 PolarHBondContact O-N 3.18Å |
| 901 | E | 86.6 | Confident | 83.6 | Confident | 73 Ų | 73 | 102.5 Ų | 102.5 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 175.9 | -75.2 | -173 | -149.4 | 0 | 0 | 112.7 | K897 E898 K905 | K897-E901 IonicContact NZ-OE1 3.81Å; K897-E901 PolarHBondContact NZ-OE1 3.2Å; K897-E901 PolarHBondContact O-N 3.18Å; E898-E901 PolarHBondContact O-N 2.81Å; E901-K905 WeakPolarHBondContact O-CB 3.36Å; E901-K905 VanDerWaalsContact O-CD 3.31Å; E901-K905 WeakPolarHBondContact O-CD 3.28Å; E901-K905 VanDerWaalsContact O-CG 3.24Å; E901-K905 WeakPolarHBondContact O-CG 3.23Å; E901-K905 PolarHBondContact O-N 3.21Å; E901-K905 IonicContact OE2-NZ 3.68Å; E901-K905 PolarHBondContact OE2-NZ 3.21Å |
| 902 | G | 83.5 | Confident | 83.4 | Confident | 27 Ų | 27 | 104.9 Ų | 104.9 | 28% | 0.278 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -54.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E898 A899 M904 K905 D906 | E898-G902 PolarHBondContact O-N 3.42Å; A899-G902 PolarHBondContact O-N 3.14Å; G902-M904 PolarHBondContact O-N 2.86Å; G902-K905 PolarHBondContact O-N 3.29Å; G902-K905 VanDerWaalsContact O-N 3.1Å; G902-D906 PolarHBondContact O-N 3.48Å |
| 903 | A | 81.1 | Confident | 83.2 | Confident | 64 Ų | 64 | 103.4 Ų | 103.4 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.1 | -35.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A899 R907 | A899-A903 WeakPolarHBondContact O-CB 3.37Å; A899-A903 PolarHBondContact O-N 3.3Å; A903-R907 WeakPolarHBondContact O-CB 3.2Å; A903-R907 PolarHBondContact O-N 3.4Å |
| 904 | M | 82.9 | Confident | 82.9 | Confident | 136 Ų | 136 | 100.7 Ų | 100.7 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | 175.3 | -168.1 | 174.5 | -166.2 | 0 | 0 | 112.4 | K900 G902 R907 Q908 | K900-M904 WeakPolarHBondContact O-CB 3.3Å; K900-M904 PolarHBondContact O-N 3.18Å; G902-M904 PolarHBondContact O-N 2.86Å; M904-R907 PolarHBondContact O-N 2.86Å; M904-Q908 WeakPolarHBondContact O-CB 3.36Å; M904-Q908 PolarHBondContact O-N 2.95Å |
| 905 | K | 85.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175 | -73 | 159.1 | -171.3 | 153.2 | 0 | 111.5 | E901 G902 Q908 R909 | E901-K905 WeakPolarHBondContact O-CB 3.36Å; E901-K905 VanDerWaalsContact O-CD 3.31Å; E901-K905 WeakPolarHBondContact O-CD 3.28Å; E901-K905 VanDerWaalsContact O-CG 3.24Å; E901-K905 WeakPolarHBondContact O-CG 3.23Å; E901-K905 PolarHBondContact O-N 3.21Å; E901-K905 IonicContact OE2-NZ 3.68Å; E901-K905 PolarHBondContact OE2-NZ 3.21Å; G902-K905 PolarHBondContact O-N 3.29Å; G902-K905 VanDerWaalsContact O-N 3.1Å; K905-Q908 WeakPolarHBondContact O-CB 3.5Å; K905-Q908 PolarHBondContact O-N 2.9Å; K905-R909 PolarHBondContact O-N 2.94Å |
| 906 | D | 82.3 | Confident | 82.2 | Confident | 70 Ų | 70 | 106.1 Ų | 106.1 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.6 | -35.8 | 179 | -67.1 | -22.6 | 0 | 0 | 0 | 112.3 | G902 Q908 R909 Y910 | G902-D906 PolarHBondContact O-N 3.48Å; D906-Q908 VanDerWaalsContact C-N 3.26Å; D906-Q908 PolarHBondContact O-N 2.74Å; D906-R909 WeakPolarHBondContact O-CB 3.45Å; D906-R909 PolarHBondContact O-N 3.49Å; D906-R909 IonicContact OD1-CZ 3.43Å; D906-R909 IonicContact OD1-NE 2.77Å; D906-R909 PolarHBondContact OD1-NE 2.93Å; D906-R909 IonicContact OD1-NH2 2.79Å; D906-R909 PolarHBondContact OD1-NH2 3.45Å; D906-Y910 WeakPolarHBondContact O-CD2 3.31Å; D906-Y910 PolarHBondContact O-N 2.8Å |
| 907 | R | 83.7 | Confident | 82 | Confident | 141 Ų | 141 | 104.3 Ų | 104.3 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 165.4 | -177.1 | 177.6 | 177.3 | -167.1 | -2.6 | 111.1 | A903 M904 Y910 Q911 | A903-R907 WeakPolarHBondContact O-CB 3.2Å; A903-R907 PolarHBondContact O-N 3.4Å; M904-R907 PolarHBondContact O-N 2.86Å; R907-Y910 PolarHBondContact O-N 2.74Å; R907-Q911 WeakPolarHBondContact O-CB 3.31Å; R907-Q911 PolarHBondContact O-N 2.75Å |
| 908 | Q | 85 | Confident | 81.3 | Confident | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.4 | -37.4 | 177.1 | -164.6 | 175.7 | 29.8 | 0 | 0 | 112.5 | M904 K905 D906 Q911 Q912 | M904-Q908 WeakPolarHBondContact O-CB 3.36Å; M904-Q908 PolarHBondContact O-N 2.95Å; K905-Q908 WeakPolarHBondContact O-CB 3.5Å; K905-Q908 PolarHBondContact O-N 2.9Å; D906-Q908 VanDerWaalsContact C-N 3.26Å; D906-Q908 PolarHBondContact O-N 2.74Å; Q908-Q911 PolarHBondContact O-N 2.9Å; Q908-Q912 WeakPolarHBondContact O-CG 3.39Å; Q908-Q912 PolarHBondContact O-N 2.89Å |
| 909 | R | 82.7 | Confident | 80.5 | Confident | 165 Ų | 165 | 99.2 Ų | 99.2 | 62% | 0.623 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.8 | -48 | 170.7 | -70.5 | -168.7 | -116.1 | -135.3 | 5.5 | 112 | K905 D906 Q911 Q912 E913 | K905-R909 PolarHBondContact O-N 2.94Å; D906-R909 WeakPolarHBondContact O-CB 3.45Å; D906-R909 PolarHBondContact O-N 3.49Å; D906-R909 IonicContact OD1-CZ 3.43Å; D906-R909 IonicContact OD1-NE 2.77Å; D906-R909 PolarHBondContact OD1-NE 2.93Å; D906-R909 IonicContact OD1-NH2 2.79Å; D906-R909 PolarHBondContact OD1-NH2 3.45Å; R909-Q911 VanDerWaalsContact C-N 3.31Å; R909-Q911 PolarHBondContact O-N 3.35Å; R909-Q912 PolarHBondContact O-N 3.36Å; R909-E913 PolarHBondContact O-N 2.89Å |
| 910 | Y | 82.9 | Confident | 79.8 | Confident | 177 Ų | 177 | 101.3 Ų | 101.3 | 69% | 0.694 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.4 | -41.8 | 176.4 | -88.4 | -72.1 | 0 | 0 | 0 | 111.7 | D906 R907 Q912 E913 V914 | D906-Y910 WeakPolarHBondContact O-CD2 3.31Å; D906-Y910 PolarHBondContact O-N 2.8Å; R907-Y910 PolarHBondContact O-N 2.74Å; Y910-Q912 PolarHBondContact O-N 3.48Å; Y910-E913 PolarHBondContact O-N 3.13Å; Y910-V914 WeakPolarHBondContact O-CB 3.16Å; Y910-V914 VanDerWaalsContact O-CG2 3.31Å; Y910-V914 WeakPolarHBondContact O-CG2 3.35Å; Y910-V914 PolarHBondContact O-N 3.2Å |
| 911 | Q | 79.1 | Confident | 78.4 | Confident | 95 Ų | 95 | 101.8 Ų | 101.8 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | -157.7 | 73.2 | 35.1 | 0 | 0 | 111.7 | R907 Q908 R909 E913 V914 E915 | R907-Q911 WeakPolarHBondContact O-CB 3.31Å; R907-Q911 PolarHBondContact O-N 2.75Å; Q908-Q911 PolarHBondContact O-N 2.9Å; R909-Q911 VanDerWaalsContact C-N 3.31Å; R909-Q911 PolarHBondContact O-N 3.35Å; Q911-E913 VanDerWaalsContact C-N 3.33Å; Q911-E913 PolarHBondContact O-N 3.35Å; Q911-V914 PolarHBondContact O-N 3.21Å; Q911-E915 WeakPolarHBondContact O-CG 3.48Å; Q911-E915 PolarHBondContact O-N 2.84Å |
| 912 | Q | 80.9 | Confident | 77.1 | Confident | 115 Ų | 115 | 106.8 Ų | 106.8 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -30.9 | 176.4 | -72.7 | 173.9 | 2.3 | 0 | 0 | 113.2 | Q908 R909 Y910 R916 | Q908-Q912 WeakPolarHBondContact O-CG 3.39Å; Q908-Q912 PolarHBondContact O-N 2.89Å; R909-Q912 PolarHBondContact O-N 3.36Å; Y910-Q912 PolarHBondContact O-N 3.48Å; Q912-R916 WeakPolarHBondContact O-CB 3.37Å; Q912-R916 PolarHBondContact O-N 2.98Å; Q912-R916 VanDerWaalsContact O-N 3.14Å |
| 913 | E | 77.5 | Confident | 75.5 | Confident | 82 Ų | 82 | 115.2 Ų | 115.2 | 38% | 0.383 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.3 | -44.5 | 173.4 | -158.5 | 63.9 | -137.4 | 0 | 0 | 111 | R909 Y910 Q911 R916 I917 | R909-E913 PolarHBondContact O-N 2.89Å; Y910-E913 PolarHBondContact O-N 3.13Å; Q911-E913 VanDerWaalsContact C-N 3.33Å; Q911-E913 PolarHBondContact O-N 3.35Å; E913-R916 PolarHBondContact O-N 3.39Å; E913-R916 IonicContact OE1-CZ 2.75Å; E913-R916 IonicContact OE1-NH1 3.53Å; E913-R916 PolarHBondContact OE1-NH1 3.29Å; E913-R916 IonicContact OE1-NH2 3.65Å; E913-R916 IonicContact OE2-CZ 2.73Å; E913-R916 IonicContact OE2-NH1 3.19Å; E913-R916 PolarHBondContact OE2-NH1 2.93Å; E913-R916 IonicContact OE2-NH2 2.69Å; E913-R916 PolarHBondContact OE2-NH2 2.84Å; E913-I917 HydrophobicContact CG-CD1 4.34Å; E913-I917 VanDerWaalsContact O-CG1 3.29Å; E913-I917 WeakPolarHBondContact O-CG1 3.49Å; E913-I917 PolarHBondContact O-N 3.4Å |
| 914 | V | 77.6 | Confident | 73.9 | Confident | 62 Ų | 62 | 119.1 Ų | 119.1 | 38% | 0.376 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.5 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | Y910 Q911 I917 K918 | Y910-V914 WeakPolarHBondContact O-CB 3.16Å; Y910-V914 VanDerWaalsContact O-CG2 3.31Å; Y910-V914 WeakPolarHBondContact O-CG2 3.35Å; Y910-V914 PolarHBondContact O-N 3.2Å; Q911-V914 PolarHBondContact O-N 3.21Å; V914-I917 PolarHBondContact O-N 2.84Å; V914-K918 HydrophobicContact CG1-CD 4.23Å; V914-K918 WeakPolarHBondContact O-CG 3.34Å; V914-K918 PolarHBondContact O-N 2.83Å |
| 915 | E | 76.8 | Confident | 72 | Confident | 64 Ų | 64 | 117.6 Ų | 117.6 | 30% | 0.299 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 174.8 | -66 | -49.6 | 131.5 | 0 | 0 | 112 | Q911 I917 K918 D919 | Q911-E915 WeakPolarHBondContact O-CG 3.48Å; Q911-E915 PolarHBondContact O-N 2.84Å; E915-I917 VanDerWaalsContact C-N 3.33Å; E915-I917 PolarHBondContact O-N 2.95Å; E915-K918 PolarHBondContact O-N 3.39Å; E915-K918 WeakPolarHBondContact OE1-CD 3.46Å; E915-K918 WeakPolarHBondContact OE1-CE 3.33Å; E915-K918 IonicContact OE1-NZ 2.68Å; E915-K918 PolarHBondContact OE1-NZ 3.3Å; E915-K918 VanDerWaalsContact OE2-CD 3.29Å; E915-K918 WeakPolarHBondContact OE2-CD 3.43Å; E915-K918 IonicContact OE2-NZ 2.72Å; E915-D919 WeakPolarHBondContact O-CB 3.33Å; E915-D919 PolarHBondContact O-N 3.05Å |
| 916 | R | 78.8 | Confident | 70.1 | Confident | 132 Ų | 132 | 121.4 Ų | 121.4 | 50% | 0.498 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -38.7 | 173 | -159.9 | -169.6 | -46.8 | 131.2 | 20.5 | 111.9 | Q912 E913 V920 | Q912-R916 WeakPolarHBondContact O-CB 3.37Å; Q912-R916 PolarHBondContact O-N 2.98Å; Q912-R916 VanDerWaalsContact O-N 3.14Å; E913-R916 PolarHBondContact O-N 3.39Å; E913-R916 IonicContact OE1-CZ 2.75Å; E913-R916 IonicContact OE1-NH1 3.53Å; E913-R916 PolarHBondContact OE1-NH1 3.29Å; E913-R916 IonicContact OE1-NH2 3.65Å; E913-R916 IonicContact OE2-CZ 2.73Å; E913-R916 IonicContact OE2-NH1 3.19Å; E913-R916 PolarHBondContact OE2-NH1 2.93Å; E913-R916 IonicContact OE2-NH2 2.69Å; E913-R916 PolarHBondContact OE2-NH2 2.84Å; R916-V920 WeakPolarHBondContact O-CG2 3.34Å; R916-V920 PolarHBondContact O-N 2.77Å; R916-V920 VanDerWaalsContact O-N 3.1Å |
| 917 | I | 74.5 | Confident | 67.9 | Low | 91 Ų | 91 | 127 Ų | 127 | 47% | 0.467 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -46 | 173.7 | -68.9 | 163 | 0 | 0 | 0 | 110.3 | E913 V914 E915 D919 V920 M921 | E913-I917 HydrophobicContact CG-CD1 4.34Å; E913-I917 VanDerWaalsContact O-CG1 3.29Å; E913-I917 WeakPolarHBondContact O-CG1 3.49Å; E913-I917 PolarHBondContact O-N 3.4Å; V914-I917 PolarHBondContact O-N 2.84Å; E915-I917 VanDerWaalsContact C-N 3.33Å; E915-I917 PolarHBondContact O-N 2.95Å; I917-D919 VanDerWaalsContact C-N 3.34Å; I917-D919 PolarHBondContact O-N 3.14Å; I917-V920 PolarHBondContact O-N 2.87Å; I917-M921 HydrophobicContact CG2-SD 4.12Å; I917-M921 WeakPolarHBondContact O-CG 3.4Å; I917-M921 PolarHBondContact O-N 2.96Å |
| 918 | K | 72 | Confident | 66.1 | Low | 83 Ų | 83 | 130.6 Ų | 130.6 | 36% | 0.361 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.6 | -41.9 | 175.3 | -76 | 170.2 | 177.7 | 177.3 | 0 | 112.3 | V914 E915 M921 R922 | V914-K918 HydrophobicContact CG1-CD 4.23Å; V914-K918 WeakPolarHBondContact O-CG 3.34Å; V914-K918 PolarHBondContact O-N 2.83Å; E915-K918 PolarHBondContact O-N 3.39Å; E915-K918 WeakPolarHBondContact OE1-CD 3.46Å; E915-K918 WeakPolarHBondContact OE1-CE 3.33Å; E915-K918 IonicContact OE1-NZ 2.68Å; E915-K918 PolarHBondContact OE1-NZ 3.3Å; E915-K918 VanDerWaalsContact OE2-CD 3.29Å; E915-K918 WeakPolarHBondContact OE2-CD 3.43Å; E915-K918 IonicContact OE2-NZ 2.72Å; K918-M921 PolarHBondContact O-N 3.34Å; K918-R922 WeakPolarHBondContact O-CB 3.37Å; K918-R922 VanDerWaalsContact O-CG 3.31Å; K918-R922 WeakPolarHBondContact O-CG 3.49Å; K918-R922 PolarHBondContact O-N 3.42Å |
| 919 | D | 71.6 | Confident | 64.1 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.8 | -33.4 | 177.6 | -92.4 | 0.3 | 0 | 0 | 0 | 112.8 | E915 I917 R923 | E915-D919 WeakPolarHBondContact O-CB 3.33Å; E915-D919 PolarHBondContact O-N 3.05Å; I917-D919 VanDerWaalsContact C-N 3.34Å; I917-D919 PolarHBondContact O-N 3.14Å; D919-R923 VanDerWaalsContact O-CG 3.31Å; D919-R923 WeakPolarHBondContact O-CG 3.26Å; D919-R923 PolarHBondContact O-N 2.81Å |
| 920 | V | 66.8 | Low | 62 | Low | 106 Ų | 106 | 129 Ų | 129 | 64% | 0.642 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66 | -40.9 | 170.2 | 168.8 | 0 | 0 | 0 | 0 | 111 | R916 I917 | R916-V920 WeakPolarHBondContact O-CG2 3.34Å; R916-V920 PolarHBondContact O-N 2.77Å; R916-V920 VanDerWaalsContact O-N 3.1Å; I917-V920 PolarHBondContact O-N 2.87Å |
| 921 | M | 55.7 | Low | 59.7 | Low | 142 Ų | 142 | 125.7 Ų | 125.7 | 70% | 0.7 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.9 | -42.7 | 177.6 | -67.5 | -179.1 | 77.1 | 0 | 0 | 112.8 | I917 K918 R923 N924 | I917-M921 HydrophobicContact CG2-SD 4.12Å; I917-M921 WeakPolarHBondContact O-CG 3.4Å; I917-M921 PolarHBondContact O-N 2.96Å; K918-M921 PolarHBondContact O-N 3.34Å; M921-R923 PolarHBondContact O-N 2.94Å; M921-N924 PolarHBondContact O-N 2.88Å |
| 922 | R | 59.3 | Low | 57.8 | Low | 178 Ų | 178 | 125.7 Ų | 125.7 | 67% | 0.672 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.3 | -24.2 | 179.1 | -80.2 | 174.6 | 170.4 | 166.4 | -3.2 | 113.5 | K918 N924 | K918-R922 WeakPolarHBondContact O-CB 3.37Å; K918-R922 VanDerWaalsContact O-CG 3.31Å; K918-R922 WeakPolarHBondContact O-CG 3.49Å; K918-R922 PolarHBondContact O-N 3.42Å; R922-N924 PolarHBondContact O-N 3.4Å |
| 923 | R | 49.9 | Very low | 55.5 | Low | 205 Ų | 205 | 128.9 Ų | 128.9 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -3.6 | -177.6 | -77.6 | 179.7 | 179.3 | -159.3 | 0.7 | 115.3 | D919 M921 | D919-R923 VanDerWaalsContact O-CG 3.31Å; D919-R923 WeakPolarHBondContact O-CG 3.26Å; D919-R923 PolarHBondContact O-N 2.81Å; M921-R923 PolarHBondContact O-N 2.94Å |
| 924 | N | 46.4 | Very low | 53.3 | Low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | trans | -135.5 | 81.2 | 178.1 | -92.8 | -24.7 | 0 | 0 | 0 | 113.2 | M921 R922 F926 | M921-N924 PolarHBondContact O-N 2.88Å; R922-N924 PolarHBondContact O-N 3.4Å; N924-F926 PolarHBondContact O-N 2.64Å | ||
| 925 | P | 43.8 | Very low | 51 | Low | 104 Ų | 104 | 134 Ų | 134 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | trans | -87.1 | 17.2 | -176.4 | 34.7 | -36.3 | 0 | 0 | 0 | 116.1 | ||||
| 926 | F | 44.6 | Very low | 48.8 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | trans | -145.6 | 101.6 | -178.4 | -79.9 | -74.7 | 0 | 0 | 0 | 115.5 | N924 | N924-F926 PolarHBondContact O-N 2.64Š| ||
| 927 | R | 36.6 | Very low | 47 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | 170.5 | 142.5 | 131 | -100 | -179.9 | 172.2 | -143 | 2.6 | 113.9 | E989 | R927-E989 IonicContact CZ-OE2 2.76Å; R927-E989 IonicContact NH1-OE1 3.59Å; R927-E989 PolarHBondContact NH1-OE1 3Å; R927-E989 IonicContact NH1-OE2 2.64Å; R927-E989 PolarHBondContact NH1-OE2 3.16Å | ||
| 928 | R | 45.9 | Very low | 45.4 | Very low | 215 Ų | 215 | 141.7 Ų | 141.7 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -112.7 | 159 | 140.8 | -73.5 | -175.7 | 176.6 | 177.9 | -0.2 | 107.6 | ||||
| 929 | P | 42 | Very low | 43.5 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | -140.3 | -169.2 | 107.1 | 35.4 | -19.8 | 0 | 0 | 0 | 114 | E989 | P929-E989 WeakPolarHBondContact CG-OE1 3.47Š| |||
| 930 | H | 38.7 | Very low | 42 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -108.5 | 162 | -161.9 | -69.9 | -114.5 | 0 | 0 | 0 | 115.2 | ||||
| 931 | A | 35.5 | Very low | 40.2 | Very low | 107 Ų | 107 | 149.5 Ų | 149.5 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | trans | 58.7 | 160.1 | 142 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 932 | A | 39 | Very low | 38.9 | Very low | 95 Ų | 95 | 152.2 Ų | 152.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -139 | 139.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 933 | Q | 32.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -161.8 | 125.2 | 153.1 | -112 | 175.2 | 23.8 | 0 | 0 | 112.3 | ||||
| 934 | I | 31.3 | Very low | 37.5 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | 37.3 | 126.2 | 145 | -51.7 | 173.9 | 0 | 0 | 0 | 119.7 | ||||
| 935 | A | 29.8 | Very low | 36.6 | Very low | 93 Ų | 93 | 149.5 Ų | 149.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -111.5 | 164.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 936 | K | 30.8 | Very low | 35.9 | Very low | 200 Ų | 200 | 154.6 Ų | 154.6 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -131 | 161.9 | 168.5 | -87.1 | -174.5 | 178 | 176.9 | 0 | 110.8 | ||||
| 937 | P | 40.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -105.5 | 141.7 | -131.3 | 36.8 | -37.4 | 0 | 0 | 0 | 119.6 | ||||
| 938 | V | 40.5 | Very low | 37.1 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | 41.1 | 123.4 | 133.9 | -172.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 939 | R | 32.2 | Very low | 36.5 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -159.6 | 162.9 | 132.2 | -103.7 | 162.1 | -163.6 | -132.8 | 2.4 | 111.1 | ||||
| 940 | P | 39.6 | Very low | 36 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -121.6 | 165.8 | -146.8 | 42.4 | -34.5 | 0 | 0 | 0 | 118.1 | ||||
| 941 | G | 28.9 | Very low | 35.8 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 168.1 | 130.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 942 | H | 29.1 | Very low | 35.6 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | 75.1 | 141.9 | 151 | -76.8 | 82 | 0 | 0 | 0 | 124.8 | ||||
| 943 | Y | 32.4 | Very low | 35.2 | Very low | 218 Ų | 218 | 149.3 Ų | 149.3 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -88.9 | 179.3 | 168.7 | -89.3 | -94.5 | 0 | 0 | 0 | 110.6 | ||||
| 944 | P | 46.1 | Very low | 35.3 | Very low | 108 Ų | 108 | 147 Ų | 147 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -154.4 | 171.3 | 30.7 | 43.9 | -21 | 0 | 0 | 0 | 122.2 | ||||
| 945 | L | 28.9 | Very low | 35.4 | Very low | 144 Ų | 144 | 149 Ų | 149 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 50.9 | 118.9 | 139.5 | -65.6 | 165.9 | 0 | 0 | 0 | 125.9 | ||||
| 946 | Y | 27.4 | Very low | 35.4 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | 37.6 | 161.2 | 115.9 | -82.7 | -110.6 | 0 | 0 | 0 | 122.9 | |||||
| 947 | P | 53.8 | Low | 35.5 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | cis | -135.3 | -124.4 | -33.4 | 35.4 | -11.1 | 0 | 0 | 0 | 111.5 | ||||
| 948 | P | 53.9 | Low | 35.2 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | cis | -135.3 | -167.4 | -37.3 | 36.1 | -14.1 | 0 | 0 | 0 | 116.5 | ||||
| 949 | I | 32.9 | Very low | 34.7 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | 81.3 | 125.3 | 159.5 | -58.4 | 169.3 | 0 | 0 | 0 | 117.6 | ||||
| 950 | N | 32.4 | Very low | 34.6 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | 97.2 | 146 | 32.8 | -82.6 | -16 | 0 | 0 | 0 | 114.7 | ||||
| 951 | H | 32.8 | Very low | 34.9 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 62% | 0.616 | 73% | 0.732 | S | S | * | * | cis | -165.8 | 175.2 | 6 | -146.4 | -83.3 | 0 | 0 | 0 | 113.9 | ||||
| 952 | F | 33 | Very low | 34.9 | Very low | 141 Ų | 141 | 146 Ų | 146 | 62% | 0.618 | 74% | 0.741 | S | S | * | * | trans | 74.4 | 146.1 | 158 | -69 | -60.5 | 0 | 0 | 0 | 120.4 | ||||
| 953 | F | 30.4 | Very low | 35 | Very low | 167 Ų | 167 | 140 Ų | 140 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | cis | -135.9 | 173.8 | -0.6 | -76.6 | -70.4 | 0 | 0 | 0 | 109.2 | ||||
| 954 | I | 34.5 | Very low | 34.8 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | 80.3 | 135.1 | 23.6 | -52.2 | 174.6 | 0 | 0 | 0 | 113.1 | ||||
| 955 | R | 33.4 | Very low | 34 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | cis | -141.6 | 165.4 | 16.6 | -133.7 | 163.9 | -170.5 | -160.6 | -6.7 | 108.9 | Y957 | R955-Y957 HydrophobicContact CG-CD2 3.98Å; R955-Y957 HydrophobicContact CG-CE2 3.72Å | ||
| 956 | G | 30.2 | Very low | 34.1 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | cis | 104.9 | 139.6 | 25.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 957 | Y | 33.2 | Very low | 34.3 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | cis | -160.1 | 149.1 | 26.1 | -93.1 | -105.1 | 0 | 0 | 0 | 114.2 | R955 | R955-Y957 HydrophobicContact CG-CD2 3.98Å; R955-Y957 HydrophobicContact CG-CE2 3.72Å | ||
| 958 | S | 33.1 | Very low | 33.1 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | 69.2 | 165.8 | 128.7 | 86.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 959 | E | 30.5 | Very low | 32.2 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | cis | -149.6 | -179.8 | 9.5 | -147.1 | 134.4 | -97.2 | 0 | 0 | 116.4 | ||||
| 960 | N | 30.4 | Very low | 32 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -90.3 | -166.4 | -173.9 | -99 | -35.9 | 0 | 0 | 0 | 112 | ||||
| 961 | P | 45.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -155.1 | 175.6 | 21.6 | 46.4 | -24.5 | 0 | 0 | 0 | 121.9 | ||||
| 962 | V | 29.3 | Very low | 31.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 87% | 0.873 | 74% | 0.742 | S | S | * | * | trans | 66.6 | 155.5 | 142.4 | 159 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 963 | A | 30.2 | Very low | 31.8 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | cis | -172.3 | 166.7 | -49 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 964 | F | 28.5 | Very low | 31.8 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 135.3 | 149.6 | -84 | -64 | 0 | 0 | 0 | 125.8 | ||||
| 965 | C | 29.5 | Very low | 32 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 73.7 | 154.9 | 141.7 | -74.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 966 | N | 31.2 | Very low | 32.4 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | cis | -171.2 | 167.8 | -36.6 | -148.9 | -13.4 | 0 | 0 | 0 | 113 | ||||
| 967 | A | 32.2 | Very low | 32.3 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | 79.5 | 144.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 968 | G | 28 | Very low | 32.2 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 135.3 | 52.8 | 165 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 969 | F | 33.9 | Very low | 33 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | 74.8 | 143.8 | 87.5 | -110.9 | -75.4 | 0 | 0 | 0 | 119.3 | |||||
| 970 | Q | 30.5 | Very low | 33 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 90.8 | 136.4 | 172.4 | -60.1 | -162 | 37.2 | 0 | 0 | 117.9 | ||||
| 971 | N | 29.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | cis | -159.9 | 128.6 | -17 | -143.1 | -6.8 | 0 | 0 | 0 | 114.6 | ||||
| 972 | K | 32.3 | Very low | 32 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 45.7 | 137.7 | 143.9 | -78.6 | 176.9 | -177.7 | 178.6 | 0 | 125.8 | ||||
| 973 | N | 31.5 | Very low | 32.4 | Very low | 138 Ų | 138 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 78.5 | 147.5 | 150.6 | -58.3 | -4.8 | 0 | 0 | 0 | 117.4 | ||||
| 974 | N | 31.2 | Very low | 33.5 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | cis | -153.9 | 123.8 | 13.1 | -146.9 | 7.3 | 0 | 0 | 0 | 115.7 | ||||
| 975 | R | 37 | Very low | 33.6 | Very low | 236 Ų | 236 | 132.3 Ų | 132.3 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | 58.9 | 165 | 151.6 | -84.7 | -162.2 | 167.4 | -171.8 | -3.5 | 121.3 | ||||
| 976 | P | 42.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -125.4 | 176.4 | -137.8 | 45.5 | -35 | 0 | 0 | 0 | 117.1 | ||||
| 977 | A | 27.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -135.1 | 142.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 978 | A | 31.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -172.2 | 170.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 979 | P | 48.5 | Very low | 34 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -137.7 | -177.9 | -2.4 | 45.2 | -30.1 | 0 | 0 | 0 | 115.1 | ||||
| 980 | M | 32.1 | Very low | 34 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | trans | 66 | 163.2 | 148.1 | -64.7 | -132.5 | -177.3 | 0 | 0 | 120.5 | ||||
| 981 | D | 28.4 | Very low | 34 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | cis | 171.7 | 142.2 | -43 | -102.8 | -52 | 0 | 0 | 0 | 107.6 | ||||
| 982 | A | 26.3 | Very low | 33.9 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 115.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 983 | P | 37.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -125 | -166.9 | 179.4 | 44.7 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 984 | P | 52.8 | Low | 34.4 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -137 | -161.9 | -41.2 | 29.1 | -5.5 | 0 | 0 | 0 | 114.5 | ||||
| 985 | V | 31.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 78.5 | 128.6 | 158.5 | -144 | 0 | 0 | 0 | 0 | 116 | ||||
| 986 | R | 30.1 | Very low | 33.9 | Very low | 216 Ų | 216 | 131.3 Ų | 131.3 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | cis | 73.9 | 150 | 42.8 | -67.4 | -172.8 | 175.3 | -167.1 | 1.7 | 114.8 | ||||
| 987 | D | 31.3 | Very low | 33.1 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | -163.2 | 148.7 | -17.1 | -99.2 | -25.2 | 0 | 0 | 0 | 112.4 | ||||
| 988 | A | 33.6 | Very low | 33.2 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | 66 | 136.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 127.8 | ||||
| 989 | E | 33.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 55% | 0.547 | 75% | 0.745 | S | S | . | * | trans | 35 | 157.5 | 148.8 | -52.6 | -161.5 | 170.9 | 0 | 0 | 122.9 | R927 P929 | R927-E989 IonicContact CZ-OE2 2.76Å; R927-E989 IonicContact NH1-OE1 3.59Å; R927-E989 PolarHBondContact NH1-OE1 3Å; R927-E989 IonicContact NH1-OE2 2.64Å; R927-E989 PolarHBondContact NH1-OE2 3.16Å; P929-E989 WeakPolarHBondContact CG-OE1 3.47Å | ||
| 990 | A | 33.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | cis | -169.9 | 163.3 | 27.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 991 | R | 30.4 | Very low | 32.1 | Very low | 216 Ų | 216 | 135.7 Ų | 135.7 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | 72.8 | 118 | 147.9 | -68.3 | 179.6 | -172.3 | -142.1 | 2.4 | 124.3 | ||||
| 992 | L | 27.5 | Very low | 32.2 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | 48.5 | 159.5 | 115.2 | -64.1 | 177 | 0 | 0 | 0 | 121.9 | |||||
| 993 | P | 43.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | cis | -141.5 | 173.4 | 15.3 | 44.9 | -27.4 | 0 | 0 | 0 | 118.8 | ||||
| 994 | K | 30.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | 49.1 | 152.8 | 136.6 | -71.2 | -175.1 | 146.4 | -70.4 | 0 | 122.4 | ||||
| 995 | D | 29.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 57% | 0.572 | 74% | 0.738 | S | S | * | * | cis | -162.9 | 160.1 | -0.4 | -99.3 | -25.7 | 0 | 0 | 0 | 110.3 | ||||
| 996 | E | 28.4 | Very low | 31 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | 56.3 | 153.9 | 157.7 | -63.7 | 177.6 | -178.4 | 0 | 0 | 120 | ||||
| 997 | C | 26.8 | Very low | 30.9 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | cis | -155.8 | -171.3 | 19.7 | -158.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 998 | N | 29.7 | Very low | 31.2 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -84.4 | 157.1 | -171.4 | -61.5 | -65.1 | 0 | 0 | 0 | 117 | ||||
| 999 | Q | 28.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 171.1 | 136.3 | 109.2 | -91.5 | -177.4 | 21.8 | 0 | 0 | 117.4 | |||||
| 1000 | N | 29.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 49.2 | 116.6 | 142.6 | -64.1 | -3.1 | 0 | 0 | 0 | 125.9 | ||||
| 1001 | S | 31.2 | Very low | 30.5 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | 76.2 | 157.1 | 133.2 | 91.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1002 | S | 30.2 | Very low | 30.8 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -151.8 | 160.8 | 6.7 | -69 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1003 | A | 32.8 | Very low | 31.2 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | 63.2 | 117.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1004 | E | 30.9 | Very low | 30.9 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | 92.4 | 141.1 | 95.1 | -80.7 | -172.1 | 164.3 | 0 | 0 | 113.7 | |||||
| 1005 | L | 29.6 | Very low | 31 | Very low | 131 Ų | 131 | 131 Ų | 131 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | cis | -149.9 | 157 | 11.8 | -106.9 | 144.6 | 0 | 0 | 0 | 112 | ||||
| 1006 | I | 28.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 69 | 109.8 | 155.9 | -65.3 | 163.3 | 0 | 0 | 0 | 119.3 | ||||
| 1007 | N | 28.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | trans | -99.2 | 165.8 | 153.6 | -154.6 | 14.6 | 0 | 0 | 0 | 107.4 | Q1009 | N1007-Q1009 PolarHBondContact ND2-O 3.5Å; N1007-Q1009 PolarHBondContact OD1-N 3.22Å | ||
| 1008 | P | 36.9 | Very low | 32.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | -145.1 | 116.1 | 65.8 | 34.3 | -12.4 | 0 | 0 | 0 | 116 | |||||
| 1009 | Q | 28.2 | Very low | 32.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -91 | 153.1 | 135.7 | -93.6 | 177.8 | -91.5 | 0 | 0 | 110 | N1007 D1011 | N1007-Q1009 PolarHBondContact ND2-O 3.5Å; N1007-Q1009 PolarHBondContact OD1-N 3.22Å; Q1009-D1011 PolarHBondContact NE2-OD2 3.12Å | ||
| 1010 | S | 27.6 | Very low | 33 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -149.8 | 79 | 159 | 62.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1011 | D | 30.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 134 Ų | 134 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | trans | -81.7 | 157.8 | 155.7 | -56.4 | -77.2 | 0 | 0 | 0 | 108.9 | Q1009 | Q1009-D1011 PolarHBondContact NE2-OD2 3.12Š| ||
| 1012 | D | 37.3 | Very low | 33.3 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 59.9 | 169.4 | 157.4 | -61.8 | -25 | 0 | 0 | 0 | 117.8 | ||||
| 1013 | D | 36.4 | Very low | 33.5 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | -149.4 | 176.3 | 2.6 | -149.7 | -19 | 0 | 0 | 0 | 111.6 | ||||
| 1014 | G | 36.8 | Very low | 33.5 | Very low | 50 Ų | 50 | 140.4 Ų | 140.4 | 52% | 0.515 | 78% | 0.778 | S | S | . | * | 84 | 97.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 1015 | D | 32.4 | Very low | 33.7 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | 168 | 142.2 | 109.3 | -89.3 | -21 | 0 | 0 | 0 | 109.1 | |||||
| 1016 | A | 40 | Very low | 34 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | cis | 92.3 | 131 | 23.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1017 | Q | 37.3 | Very low | 34.4 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | 71.2 | 132.1 | 166.1 | -57.6 | -168.7 | 1.9 | 0 | 0 | 120.6 | ||||
| 1018 | N | 39 | Very low | 34.9 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -47.2 | 147.2 | 165.4 | -46.6 | -18.2 | 0 | 0 | 0 | 113 | ||||
| 1019 | N | 36.3 | Very low | 34.7 | Very low | 226 Ų | 226 | 140.2 Ų | 140.2 | 100% | 1.209 | 79% | 0.791 | S | S | * | * | -155 | 0 | 94.4 | -157.8 | 69.4 | 0 | 0 | 0 | 112.4 |
Retrieved 1,019 of 1,019 residues in 472.8 ms
(Link to these results)