| 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 | 50.7 | Low | 81.8 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | 0 | 121.7 | 0 | -63.5 | -176.1 | -52.8 | 0 | 0 | 106.4 | E3 F7 M475 | M1-E3 PolarHBondContact O-N 3.37Å; M1-F7 HydrophobicContact SD-CB 4.26Å; M1-M475 HydrophobicContact CE-CE 4.16Å; M1-M475 HydrophobicContact SD-CE 3.61Å | |||
| 2 | Q | 48 | Very low | 83.2 | Confident | 139 Ų | 139 | 75.3 Ų | 75.3 | 65% | 0.65 | 37% | 0.368 | S | S | * | . | trans | -62.8 | 127.5 | 166.6 | -75.8 | 172.2 | -17.6 | 0 | 0 | 106.7 | D4 Q5 | Q2-D4 PolarHBondContact O-N 3.38Å; Q2-Q5 PolarHBondContact O-N 3.12Å | ||
| 3 | E | 58.2 | Low | 84.3 | Confident | 192 Ų | 192 | 70.3 Ų | 70.3 | 90% | 0.897 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.7 | -170.3 | -83.8 | -177.1 | 144.2 | 0 | 0 | 114 | M1 | M1-E3 PolarHBondContact O-N 3.37Š|
| 4 | D | 73.3 | Confident | 85.3 | Confident | 155 Ų | 155 | 65.3 Ų | 65.3 | 83% | 0.829 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -10.2 | -175.7 | -64.5 | -31.6 | 0 | 0 | 0 | 115.4 | Q2 | Q2-D4 PolarHBondContact O-N 3.38Š|
| 5 | Q | 86 | Confident | 86.1 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 63% | 0.631 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -96.9 | 131 | -179.5 | -70 | -164.2 | -6.8 | 0 | 0 | 112 | Q2 F7 | Q2-Q5 PolarHBondContact O-N 3.12Å; Q5-F7 PolarHBondContact O-N 3.01Å |
| 6 | P | 94.1 | Very high | 86.8 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -58 | 128.2 | 173.3 | -25.1 | 34.9 | 0 | 0 | 0 | 111.2 | N31 K32 P249 | P6-N31 WeakPolarHBondContact CG-O 3.38Å; P6-K32 CarbonylContact C-O 3.53Å; P6-K32 WeakPolarHBondContact CA-O 3.35Å; P6-P249 HydrophobicContact CB-CG 4.17Å; P6-P249 HydrophobicContact CG-CB 4.16Å; P6-P249 HydrophobicContact CG-CG 4.01Å |
| 7 | F | 95.8 | Very high | 87.4 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 145.8 | 175.6 | 69.2 | -87.2 | 0 | 0 | 0 | 110 | M1 Q5 V9 F29 K32 V33 S34 D290 Y291 I471 M475 | M1-F7 HydrophobicContact SD-CB 4.26Å; Q5-F7 PolarHBondContact O-N 3.01Å; F7-V9 HydrophobicContact CD2-CG2 3.62Å; F7-V9 HydrophobicContact CE2-CG2 3.36Å; F7-V9 HydrophobicContact CZ-CG2 4.5Å; F7-F29 HydrophobicContact CE1-CB 4.15Å; F7-F29 AromaticContact CE1-CD1 3.72Å; F7-F29 HydrophobicContact CE1-CD1 3.72Å; F7-F29 HydrophobicContact CE1-CD2 4.21Å; F7-F29 HydrophobicContact CE1-CE1 4.05Å; F7-F29 AromaticContact CE1-CG 3.77Å; F7-F29 HydrophobicContact CE1-CG 3.77Å; F7-F29 HydrophobicContact CE1-CZ 4.41Å; F7-F29 HydrophobicContact CZ-CB 4.3Å; F7-F29 AromaticContact CZ-CD1 3.9Å; F7-F29 HydrophobicContact CZ-CD1 3.9Å; F7-F29 AromaticContact CZ-CD2 3.61Å; F7-F29 HydrophobicContact CZ-CD2 3.61Å; F7-F29 HydrophobicContact CZ-CE1 4Å; F7-F29 AromaticContact CZ-CE2 3.74Å; F7-F29 HydrophobicContact CZ-CE2 3.74Å; F7-F29 AromaticContact CZ-CG 3.67Å; F7-F29 HydrophobicContact CZ-CG 3.67Å; F7-F29 AromaticContact CZ-CZ 3.89Å; F7-F29 HydrophobicContact CZ-CZ 3.89Å; F7-K32 WeakPolarHBondContact CD1-O 3.5Å; F7-K32 WeakPolarHBondContact CE1-O 3.46Å; F7-K32 PolarHBondContact N-O 3.05Å; F7-V33 HydrophobicContact CD1-CB 4.44Å; F7-V33 HydrophobicContact CD2-CG2 4.1Å; F7-V33 HydrophobicContact CE1-CB 3.81Å; F7-V33 HydrophobicContact CE1-CG2 4.16Å; F7-V33 HydrophobicContact CE2-CB 4.14Å; F7-V33 HydrophobicContact CE2-CG2 3.55Å; F7-V33 HydrophobicContact CZ-CB 3.65Å; F7-V33 HydrophobicContact CZ-CG2 3.58Å; F7-S34 PolarHBondContact O-N 3.33Å; F7-D290 WeakPolarHBondContact CA-OD2 3.37Å; F7-D290 HydrophobicContact CB-CB 4.41Å; F7-Y291 AromaticContact CD2-CD2 3.86Å; F7-Y291 HydrophobicContact CD2-CD2 3.86Å; F7-Y291 HydrophobicContact CD2-CE2 4.05Å; F7-Y291 HydrophobicContact CE2-CD2 4.17Å; F7-Y291 HydrophobicContact CE2-CE2 4.39Å; F7-I471 HydrophobicContact CE2-CG2 4.38Å; F7-M475 HydrophobicContact CB-CE 3.81Å; F7-M475 HydrophobicContact CD1-CE 3.32Å; F7-M475 HydrophobicContact CD1-SD 4.01Å; F7-M475 HydrophobicContact CD2-CE 3.37Å; F7-M475 HydrophobicContact CE1-CE 3.58Å; F7-M475 HydrophobicContact CE1-SD 3.71Å; F7-M475 HydrophobicContact CE2-CE 3.59Å; F7-M475 HydrophobicContact CE2-SD 4.23Å; F7-M475 HydrophobicContact CG-CE 3.21Å; F7-M475 HydrophobicContact CG-SD 4.42Å; F7-M475 HydrophobicContact CZ-CE 3.7Å; F7-M475 HydrophobicContact CZ-SD 3.81Å |
| 8 | K | 97.7 | Very high | 88.1 | Confident | 97 Ų | 97 | 52.6 Ų | 52.6 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127 | -172.7 | -64.3 | -176.1 | 179.7 | -174 | 0 | 110.8 | S34 F289 D290 Y291 | K8-S34 CarbonylContact C-O 3.55Å; K8-S34 WeakPolarHBondContact CA-O 3.38Å; K8-F289 HydrophobicContact CB-CD1 3.92Å; K8-D290 PolarHBondContact N-OD2 3.07Å; K8-D290 PolarHBondContact O-N 2.66Å; K8-Y291 PolarHBondContact O-N 3.28Å |
| 9 | V | 98.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.1 | 175.4 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | F7 V11 L25 V33 S34 I35 T36 Y291 I293 | F7-V9 HydrophobicContact CD2-CG2 3.62Å; F7-V9 HydrophobicContact CE2-CG2 3.36Å; F7-V9 HydrophobicContact CZ-CG2 4.5Å; V9-V11 HydrophobicContact CG1-CG2 4.32Å; V9-L25 HydrophobicContact CB-CD1 4.26Å; V9-L25 HydrophobicContact CG1-CD1 3.79Å; V9-L25 HydrophobicContact CG2-CD1 4.25Å; V9-V33 HydrophobicContact CB-CG2 4.39Å; V9-V33 HydrophobicContact CG2-CG2 3.65Å; V9-S34 PolarHBondContact N-O 3.04Å; V9-I35 WeakPolarHBondContact O-CA 3.4Å; V9-T36 PolarHBondContact O-N 3.37Å; V9-Y291 WeakPolarHBondContact CA-O 3.12Å; V9-Y291 HydrophobicContact CG2-CD2 4.43Å; V9-I293 HydrophobicContact CG1-CD1 4.2Å; V9-I293 HydrophobicContact CG1-CG1 4.14Å |
| 10 | A | 98.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T36 F38 L274 F289 Y291 V292 I293 | A10-T36 CarbonylContact C-O 3.52Å; A10-T36 WeakPolarHBondContact CA-O 3.43Å; A10-F38 HydrophobicContact CB-CD2 4.37Å; A10-F38 HydrophobicContact CB-CE2 3.88Å; A10-L274 HydrophobicContact CB-CD1 4.47Å; A10-L274 HydrophobicContact CB-CD2 3.45Å; A10-L274 VanDerWaalsContact CB-CD2 3.45Å; A10-F289 HydrophobicContact CB-CB 4.31Å; A10-F289 HydrophobicContact CB-CD1 3.67Å; A10-F289 HydrophobicContact CB-CD2 3.78Å; A10-F289 HydrophobicContact CB-CE1 3.87Å; A10-F289 HydrophobicContact CB-CE2 3.96Å; A10-F289 HydrophobicContact CB-CG 3.62Å; A10-F289 HydrophobicContact CB-CZ 4.01Å; A10-F289 VanDerWaalsContact N-CD1 3.32Å; A10-Y291 PolarHBondContact N-O 3.23Å; A10-V292 HydrophobicContact CB-CG2 4.26Å; A10-V292 CarbonylContact O-C 3.55Å; A10-V292 WeakPolarHBondContact O-CA 3.32Å; A10-I293 PolarHBondContact O-N 3.14Å |
| 11 | V | 98.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.5 | 170.1 | -178.9 | 0 | 0 | 0 | 0 | 107.9 | V9 A22 I35 T36 L37 F38 I293 | V9-V11 HydrophobicContact CG1-CG2 4.32Å; V11-A22 HydrophobicContact CG2-CB 4.37Å; V11-I35 HydrophobicContact CG2-CG2 3.96Å; V11-T36 PolarHBondContact N-O 3Å; V11-L37 HydrophobicContact CB-CB 4.49Å; V11-L37 HydrophobicContact CB-CG 4.31Å; V11-L37 HydrophobicContact CG1-CD1 4.23Å; V11-L37 HydrophobicContact CG1-CG 4.33Å; V11-L37 CarbonylContact O-C 3.58Å; V11-L37 WeakPolarHBondContact O-CA 3.3Å; V11-F38 PolarHBondContact O-N 2.89Å; V11-I293 HydrophobicContact CG2-CB 4.37Å; V11-I293 HydrophobicContact CG2-CD1 4.42Å |
| 12 | V | 98.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 107.4 | -177.2 | -173 | 0 | 0 | 0 | 0 | 109 | V261 L274 V292 I293 L294 S295 L296 | V12-V261 HydrophobicContact CB-CG2 4.48Å; V12-V261 HydrophobicContact CG1-CB 3.92Å; V12-V261 HydrophobicContact CG1-CG2 3.75Å; V12-V261 HydrophobicContact CG2-CG2 3.95Å; V12-L274 HydrophobicContact CG2-CD2 3.95Å; V12-V292 HydrophobicContact CG2-CG1 4.34Å; V12-I293 PolarHBondContact N-O 3.49Å; V12-L294 HydrophobicContact CB-CD2 3.94Å; V12-L294 HydrophobicContact CG1-CD2 4.34Å; V12-L294 HydrophobicContact CG2-CD2 3.97Å; V12-S295 CarbonylContact O-C 3.46Å; V12-S295 VanDerWaalsContact O-C 3.29Å; V12-S295 VanDerWaalsContact O-CA 3.32Å; V12-S295 WeakPolarHBondContact O-CA 3.46Å; V12-S295 PolarHBondContact O-N 3.3Å; V12-L296 HydrophobicContact CB-CD2 4.41Å; V12-L296 HydrophobicContact CG1-CD2 4.12Å |
| 13 | G | 98 | Very high | 94.3 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | trans | 109.5 | 118.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G15 G18 F38 | G13-G15 VanDerWaalsContact C-N 3.28Å; G13-G15 PolarHBondContact O-N 3.19Å; G13-G18 WeakPolarHBondContact O-CA 3.26Å; G13-F38 PolarHBondContact N-O 3.4Å | ||
| 14 | G | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -88.1 | 21.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | E39 I44 G45 | G14-E39 WeakPolarHBondContact CA-OE2 3.48Å; G14-E39 PolarHBondContact N-OE2 2.95Å; G14-I44 WeakPolarHBondContact O-CG2 3.46Å; G14-G45 PolarHBondContact O-N 3.21Å | ||
| 15 | G | 97.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 17.5 Ų | 17.5 | 14% | 0.144 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 174.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | G13 G17 G18 A19 | G13-G15 VanDerWaalsContact C-N 3.28Å; G13-G15 PolarHBondContact O-N 3.19Å; G15-G17 PolarHBondContact O-N 3.36Å; G15-G18 PolarHBondContact O-N 2.96Å; G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 3.41Å |
| 16 | I | 97.5 | Very high | 98 | Very high | 15 Ų | 15 | 11.9 Ų | 11.9 | 8% | 0.077 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.1 | -32.3 | -178.1 | -170.4 | 63.3 | 0 | 0 | 0 | 114 | S20 I48 I236 P237 L240 A460 I461 | I16-S20 VanDerWaalsContact O-CB 3.24Å; I16-S20 WeakPolarHBondContact O-CB 3.32Å; I16-S20 PolarHBondContact O-N 3.47Å; I16-S20 PolarHBondContact O-OG 2.9Å; I16-I48 HydrophobicContact CB-CD1 3.67Å; I16-I48 HydrophobicContact CD1-CD1 4.42Å; I16-I48 HydrophobicContact CG1-CD1 4.12Å; I16-I48 HydrophobicContact CG2-CD1 4Å; I16-I236 HydrophobicContact CD1-CG2 4.11Å; I16-P237 HydrophobicContact CD1-CB 3.97Å; I16-P237 HydrophobicContact CD1-CG 4.44Å; I16-L240 HydrophobicContact CD1-CD1 3.75Å; I16-A460 HydrophobicContact CG2-CB 3.57Å; I16-I461 HydrophobicContact CD1-CD1 4.12Å; I16-I461 HydrophobicContact CD1-CG1 3.98Å; I16-I461 HydrophobicContact CG1-CD1 4.01Å; I16-I461 HydrophobicContact CG1-CG1 3.56Å |
| 17 | G | 97.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | G15 S20 S21 S295 | G15-G17 PolarHBondContact O-N 3.36Å; G17-S20 PolarHBondContact O-OG 2.91Å; G17-S20 VanDerWaalsContact O-OG 3.08Å; G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.35Å; G17-S21 PolarHBondContact O-OG 2.87Å; G17-S295 WeakPolarHBondContact CA-OG 3.15Å |
| 18 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.7 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G13 G15 S20 S21 A22 S295 | G13-G18 WeakPolarHBondContact O-CA 3.26Å; G15-G18 PolarHBondContact O-N 2.96Å; G18-S20 PolarHBondContact O-N 2.88Å; G18-S21 PolarHBondContact O-N 3.29Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.23Å; G18-S295 VanDerWaalsContact CA-CB 3.49Å; G18-S295 PolarHBondContact N-OG 3.36Å |
| 19 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G15 A22 Y23 P237 L240 V241 | G15-A19 WeakPolarHBondContact O-CB 3.49Å; G15-A19 PolarHBondContact O-N 3.41Å; A19-A22 PolarHBondContact O-N 3.42Å; A19-Y23 WeakPolarHBondContact O-CB 3.36Å; A19-Y23 PolarHBondContact O-N 2.87Å; A19-P237 HydrophobicContact CB-CB 3.8Å; A19-L240 HydrophobicContact CB-CB 4.06Å; A19-L240 HydrophobicContact CB-CD1 4.39Å; A19-V241 HydrophobicContact CB-CG2 3.64Å |
| 20 | S | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.2 | -39.2 | 176.9 | 59 | 0 | 0 | 0 | 0 | 112.6 | I16 G17 G18 A22 Y23 F24 | I16-S20 VanDerWaalsContact O-CB 3.24Å; I16-S20 WeakPolarHBondContact O-CB 3.32Å; I16-S20 PolarHBondContact O-N 3.47Å; I16-S20 PolarHBondContact O-OG 2.9Å; G17-S20 PolarHBondContact O-OG 2.91Å; G17-S20 VanDerWaalsContact O-OG 3.08Å; G18-S20 PolarHBondContact O-N 2.88Å; S20-A22 PolarHBondContact O-N 2.93Å; S20-Y23 PolarHBondContact O-N 2.7Å; S20-F24 WeakPolarHBondContact O-CD2 3.34Å; S20-F24 PolarHBondContact O-N 3.43Å |
| 21 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.1 | -49.9 | 173.6 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | G17 G18 Y23 F24 L25 G464 V467 | G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.35Å; G17-S21 PolarHBondContact O-OG 2.87Å; G18-S21 PolarHBondContact O-N 3.29Å; S21-Y23 PolarHBondContact O-N 3.49Å; S21-F24 PolarHBondContact O-N 3.05Å; S21-L25 WeakPolarHBondContact O-CB 3.38Å; S21-L25 VanDerWaalsContact O-CG 3.28Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 3.31Å; S21-G464 WeakPolarHBondContact OG-CA 3.49Å; S21-V467 WeakPolarHBondContact OG-CG2 3.42Å |
| 22 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | V11 G18 A19 S20 L25 R26 I35 A244 | V11-A22 HydrophobicContact CG2-CB 4.37Å; G18-A22 WeakPolarHBondContact O-CB 3.39Å; G18-A22 PolarHBondContact O-N 3.23Å; A19-A22 PolarHBondContact O-N 3.42Å; S20-A22 PolarHBondContact O-N 2.93Å; A22-L25 PolarHBondContact O-N 3.05Å; A22-R26 PolarHBondContact O-N 2.72Å; A22-I35 HydrophobicContact CB-CD1 4.43Å; A22-I35 HydrophobicContact CB-CG2 4.1Å; A22-I35 VanDerWaalsContact O-CD1 3.31Å; A22-I35 WeakPolarHBondContact O-CD1 3.49Å; A22-A244 HydrophobicContact CB-CB 3.79Å |
| 23 | Y | 98.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 177.2 | 176.9 | -88.6 | 0 | 0 | 0 | 111.9 | A19 S20 S21 L25 R26 Q27 F75 Q78 F79 L240 V243 | A19-Y23 WeakPolarHBondContact O-CB 3.36Å; A19-Y23 PolarHBondContact O-N 2.87Å; S20-Y23 PolarHBondContact O-N 2.7Å; S21-Y23 PolarHBondContact O-N 3.49Å; Y23-L25 PolarHBondContact O-N 2.82Å; Y23-R26 PolarHBondContact O-N 3.37Å; Y23-Q27 HydrophobicContact CD1-CG 4.02Å; Y23-Q27 HydrophobicContact CE1-CG 3.62Å; Y23-Q27 WeakPolarHBondContact O-CG 3.31Å; Y23-Q27 PolarHBondContact O-N 3.07Å; Y23-F75 HydrophobicContact CD1-CE1 4.09Å; Y23-F75 HydrophobicContact CD1-CZ 4.18Å; Y23-F75 AromaticContact CE1-CE1 3.64Å; Y23-F75 HydrophobicContact CE1-CE1 3.64Å; Y23-F75 HydrophobicContact CE1-CZ 4.16Å; Y23-F75 AromaticContact CZ-CE1 4Å; Y23-Q78 PolarHBondContact OH-NE2 3Å; Y23-Q78 PolarHBondContact OH-OE1 2.82Å; Y23-F79 HydrophobicContact CE2-CZ 4.14Å; Y23-L240 HydrophobicContact CD1-CD2 3.98Å; Y23-L240 HydrophobicContact CD2-CD2 3.49Å; Y23-L240 VanDerWaalsContact CD2-CD2 3.49Å; Y23-L240 HydrophobicContact CE1-CD2 4.41Å; Y23-L240 HydrophobicContact CE2-CD2 3.93Å; Y23-L240 HydrophobicContact CG-CD2 3.5Å; Y23-V243 HydrophobicContact CD2-CB 4.26Å; Y23-V243 HydrophobicContact CD2-CG1 4.05Å; Y23-V243 HydrophobicContact CE2-CB 4.36Å; Y23-V243 HydrophobicContact CE2-CG1 3.89Å |
| 24 | F | 98.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.4 | -34.3 | -179 | -70.9 | -58.7 | 0 | 0 | 0 | 112.8 | S20 S21 Q27 I28 Y71 F75 I461 R465 A468 | S20-F24 WeakPolarHBondContact O-CD2 3.34Å; S20-F24 PolarHBondContact O-N 3.43Å; S21-F24 PolarHBondContact O-N 3.05Å; F24-Q27 PolarHBondContact O-N 3.32Å; F24-I28 WeakPolarHBondContact O-CB 3.35Å; F24-I28 WeakPolarHBondContact O-CD1 3.34Å; F24-I28 VanDerWaalsContact O-CG1 3.23Å; F24-I28 WeakPolarHBondContact O-CG1 3.34Å; F24-I28 PolarHBondContact O-N 2.87Å; F24-Y71 HydrophobicContact CZ-CD1 4.03Å; F24-Y71 HydrophobicContact CZ-CE1 4Å; F24-F75 HydrophobicContact CE1-CZ 4.28Å; F24-F75 HydrophobicContact CE2-CZ 4.12Å; F24-F75 HydrophobicContact CZ-CE1 4.41Å; F24-F75 HydrophobicContact CZ-CE2 4.49Å; F24-F75 AromaticContact CZ-CZ 3.62Å; F24-F75 HydrophobicContact CZ-CZ 3.62Å; F24-I461 HydrophobicContact CE2-CG2 3.78Å; F24-I461 HydrophobicContact CZ-CG2 4.24Å; F24-R465 HydrophobicContact CD1-CG 4.11Å; F24-R465 HydrophobicContact CD2-CB 3.49Å; F24-R465 VanDerWaalsContact CD2-CB 3.49Å; F24-R465 HydrophobicContact CD2-CG 3.82Å; F24-R465 HydrophobicContact CE1-CG 4.23Å; F24-R465 HydrophobicContact CE2-CB 3.5Å; F24-R465 HydrophobicContact CE2-CG 3.95Å; F24-R465 HydrophobicContact CG-CB 4.1Å; F24-R465 HydrophobicContact CG-CG 3.91Å; F24-R465 HydrophobicContact CZ-CB 4.12Å; F24-R465 HydrophobicContact CZ-CG 4.15Å; F24-A468 HydrophobicContact CB-CB 3.7Å |
| 25 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | 169.8 | -76.8 | 174.1 | 0 | 0 | 0 | 111.3 | V9 S21 A22 Y23 Q27 I28 F29 I35 I293 A468 I471 | V9-L25 HydrophobicContact CB-CD1 4.26Å; V9-L25 HydrophobicContact CG1-CD1 3.79Å; V9-L25 HydrophobicContact CG2-CD1 4.25Å; S21-L25 WeakPolarHBondContact O-CB 3.38Å; S21-L25 VanDerWaalsContact O-CG 3.28Å; S21-L25 WeakPolarHBondContact O-CG 3.45Å; S21-L25 PolarHBondContact O-N 3.31Å; A22-L25 PolarHBondContact O-N 3.05Å; Y23-L25 PolarHBondContact O-N 2.82Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 2.99Å; L25-F29 HydrophobicContact CD2-CD2 3.97Å; L25-F29 HydrophobicContact CD2-CE2 3.66Å; L25-F29 WeakPolarHBondContact O-CB 3.02Å; L25-F29 VanDerWaalsContact O-CD2 3.31Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.36Å; L25-I35 HydrophobicContact CB-CD1 4.08Å; L25-I293 HydrophobicContact CD1-CD1 3.7Å; L25-A468 HydrophobicContact CD2-CB 4.1Å; L25-A468 HydrophobicContact CG-CB 4.09Å; L25-I471 HydrophobicContact CD2-CB 4.35Å; L25-I471 HydrophobicContact CD2-CD1 4.03Å; L25-I471 HydrophobicContact CD2-CG2 4.23Å |
| 26 | R | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 6% | 0.064 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.3 | 177.8 | 60.6 | 66.2 | -152.7 | -4.2 | 111.7 | A22 Y23 G30 V33 I35 A244 G247 N248 | A22-R26 PolarHBondContact O-N 2.72Å; Y23-R26 PolarHBondContact O-N 3.37Å; R26-G30 PolarHBondContact NH1-O 3.23Å; R26-G30 VanDerWaalsContact O-CA 3.31Å; R26-G30 WeakPolarHBondContact O-CA 3.3Å; R26-G30 PolarHBondContact O-N 3.47Å; R26-V33 PolarHBondContact NH1-O 2.99Å; R26-V33 PolarHBondContact NH2-O 3.42Å; R26-I35 HydrophobicContact CB-CD1 4.31Å; R26-A244 HydrophobicContact CB-CB 4.48Å; R26-A244 PolarHBondContact NE-O 3.24Å; R26-A244 PolarHBondContact NH2-O 3.19Å; R26-A244 VanDerWaalsContact NH2-O 3.11Å; R26-G247 VanDerWaalsContact CZ-C 3.42Å; R26-G247 PolarHBondContact NH1-O 3.21Å; R26-G247 PolarHBondContact NH2-O 3.42Å; R26-N248 PolarHBondContact NH2-OD1 3.49Å |
| 27 | Q | 97.5 | Very high | 97.7 | Very high | 111 Ų | 111 | 27.4 Ų | 27.4 | 52% | 0.519 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.6 | -42.9 | 177.5 | -70.2 | -62.8 | -51.1 | 0 | 0 | 112.3 | Y23 F24 L25 | Y23-Q27 HydrophobicContact CD1-CG 4.02Å; Y23-Q27 HydrophobicContact CE1-CG 3.62Å; Y23-Q27 WeakPolarHBondContact O-CG 3.31Å; Y23-Q27 PolarHBondContact O-N 3.07Å; F24-Q27 PolarHBondContact O-N 3.32Å; L25-Q27 VanDerWaalsContact C-N 3.33Å; L25-Q27 PolarHBondContact O-N 3.1Å |
| 28 | I | 97.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 36% | 0.359 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -73.8 | -41.9 | -176.9 | -67.8 | 164.6 | 0 | 0 | 0 | 111.7 | F24 L25 A468 L469 A472 | F24-I28 WeakPolarHBondContact O-CB 3.35Å; F24-I28 WeakPolarHBondContact O-CD1 3.34Å; F24-I28 VanDerWaalsContact O-CG1 3.23Å; F24-I28 WeakPolarHBondContact O-CG1 3.34Å; F24-I28 PolarHBondContact O-N 2.87Å; L25-I28 PolarHBondContact O-N 2.99Å; I28-A468 HydrophobicContact CD1-CB 4.03Å; I28-L469 HydrophobicContact CD1-CD2 3.97Å; I28-A472 HydrophobicContact CG2-CB 3.99Å |
| 29 | F | 96.4 | Very high | 97.7 | Very high | 27 Ų | 27 | 28 Ų | 28 | 12% | 0.118 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -106.1 | -11.9 | -168.5 | -64.2 | -73.7 | 0 | 0 | 0 | 114.6 | F7 L25 N31 K32 V33 I471 A472 M475 | F7-F29 HydrophobicContact CE1-CB 4.15Å; F7-F29 AromaticContact CE1-CD1 3.72Å; F7-F29 HydrophobicContact CE1-CD1 3.72Å; F7-F29 HydrophobicContact CE1-CD2 4.21Å; F7-F29 HydrophobicContact CE1-CE1 4.05Å; F7-F29 AromaticContact CE1-CG 3.77Å; F7-F29 HydrophobicContact CE1-CG 3.77Å; F7-F29 HydrophobicContact CE1-CZ 4.41Å; F7-F29 HydrophobicContact CZ-CB 4.3Å; F7-F29 AromaticContact CZ-CD1 3.9Å; F7-F29 HydrophobicContact CZ-CD1 3.9Å; F7-F29 AromaticContact CZ-CD2 3.61Å; F7-F29 HydrophobicContact CZ-CD2 3.61Å; F7-F29 HydrophobicContact CZ-CE1 4Å; F7-F29 AromaticContact CZ-CE2 3.74Å; F7-F29 HydrophobicContact CZ-CE2 3.74Å; F7-F29 AromaticContact CZ-CG 3.67Å; F7-F29 HydrophobicContact CZ-CG 3.67Å; F7-F29 AromaticContact CZ-CZ 3.89Å; F7-F29 HydrophobicContact CZ-CZ 3.89Å; L25-F29 HydrophobicContact CD2-CD2 3.97Å; L25-F29 HydrophobicContact CD2-CE2 3.66Å; L25-F29 WeakPolarHBondContact O-CB 3.02Å; L25-F29 VanDerWaalsContact O-CD2 3.31Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å; L25-F29 PolarHBondContact O-N 3.36Å; F29-N31 PolarHBondContact O-N 3Å; F29-K32 HydrophobicContact CB-CB 4.42Å; F29-K32 VanDerWaalsContact O-CB 3.28Å; F29-K32 WeakPolarHBondContact O-CB 3.49Å; F29-K32 PolarHBondContact O-N 3.15Å; F29-K32 VanDerWaalsContact O-N 3.08Å; F29-V33 HydrophobicContact CB-CB 3.94Å; F29-V33 HydrophobicContact CB-CG1 3.87Å; F29-I471 HydrophobicContact CE2-CG2 4.21Å; F29-I471 HydrophobicContact CZ-CG2 4.18Å; F29-A472 HydrophobicContact CE2-CB 4.4Å; F29-A472 HydrophobicContact CZ-CB 3.86Å; F29-M475 HydrophobicContact CE1-SD 3.65Å; F29-M475 HydrophobicContact CZ-SD 3.88Å |
| 30 | G | 95.9 | Very high | 97.5 | Very high | 30 Ų | 30 | 34.8 Ų | 34.8 | 31% | 0.309 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | 53.1 | -135.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R26 K32 | R26-G30 PolarHBondContact NH1-O 3.23Å; R26-G30 VanDerWaalsContact O-CA 3.31Å; R26-G30 WeakPolarHBondContact O-CA 3.3Å; R26-G30 PolarHBondContact O-N 3.47Å; G30-K32 PolarHBondContact O-N 3.34Å; G30-K32 VanDerWaalsContact O-N 3.14Å |
| 31 | N | 92.7 | Very high | 97.3 | Very high | 119 Ų | 119 | 38 Ų | 38 | 64% | 0.636 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -72.7 | -1.7 | -178.9 | -63.7 | -1.9 | 0 | 0 | 0 | 114.4 | P6 F29 V33 | P6-N31 WeakPolarHBondContact CG-O 3.38Å; F29-N31 PolarHBondContact O-N 3Å; N31-V33 PolarHBondContact O-N 2.94Å |
| 32 | K | 94.5 | Very high | 97.1 | Very high | 150 Ų | 150 | 39.5 Ų | 39.5 | 65% | 0.652 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -76.5 | -7.3 | 178.2 | -58.3 | -178.1 | 179.1 | -177.6 | 0 | 113.4 | P6 F7 F29 G30 | P6-K32 CarbonylContact C-O 3.53Å; P6-K32 WeakPolarHBondContact CA-O 3.35Å; F7-K32 WeakPolarHBondContact CD1-O 3.5Å; F7-K32 WeakPolarHBondContact CE1-O 3.46Å; F7-K32 PolarHBondContact N-O 3.05Å; F29-K32 HydrophobicContact CB-CB 4.42Å; F29-K32 VanDerWaalsContact O-CB 3.28Å; F29-K32 WeakPolarHBondContact O-CB 3.49Å; F29-K32 PolarHBondContact O-N 3.15Å; F29-K32 VanDerWaalsContact O-N 3.08Å; G30-K32 PolarHBondContact O-N 3.34Å; G30-K32 VanDerWaalsContact O-N 3.14Å |
| 33 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136 | 175 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | F7 V9 R26 F29 N31 I35 | F7-V33 HydrophobicContact CD1-CB 4.44Å; F7-V33 HydrophobicContact CD2-CG2 4.1Å; F7-V33 HydrophobicContact CE1-CB 3.81Å; F7-V33 HydrophobicContact CE1-CG2 4.16Å; F7-V33 HydrophobicContact CE2-CB 4.14Å; F7-V33 HydrophobicContact CE2-CG2 3.55Å; F7-V33 HydrophobicContact CZ-CB 3.65Å; F7-V33 HydrophobicContact CZ-CG2 3.58Å; V9-V33 HydrophobicContact CB-CG2 4.39Å; V9-V33 HydrophobicContact CG2-CG2 3.65Å; R26-V33 PolarHBondContact NH1-O 2.99Å; R26-V33 PolarHBondContact NH2-O 3.42Å; F29-V33 HydrophobicContact CB-CB 3.94Å; F29-V33 HydrophobicContact CB-CG1 3.87Å; N31-V33 PolarHBondContact O-N 2.94Å; V33-I35 HydrophobicContact CG1-CD1 4.1Å; V33-I35 HydrophobicContact CG1-CG1 4.1Å; V33-I35 HydrophobicContact CG2-CD1 4.48Å; V33-I35 HydrophobicContact CG2-CG1 3.78Å |
| 34 | S | 98.1 | Very high | 97 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117 | 167 | 175 | 0 | 0 | 0 | 0 | 108.1 | F7 K8 V9 A252 | F7-S34 PolarHBondContact O-N 3.33Å; K8-S34 CarbonylContact C-O 3.55Å; K8-S34 WeakPolarHBondContact CA-O 3.38Å; V9-S34 PolarHBondContact N-O 3.04Å; S34-A252 WeakPolarHBondContact OG-CB 3.49Å |
| 35 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.9 | -173.9 | -55.8 | 172.8 | 0 | 0 | 0 | 108.7 | V9 V11 A22 L25 R26 V33 L245 N248 | V9-I35 WeakPolarHBondContact O-CA 3.4Å; V11-I35 HydrophobicContact CG2-CG2 3.96Å; A22-I35 HydrophobicContact CB-CD1 4.43Å; A22-I35 HydrophobicContact CB-CG2 4.1Å; A22-I35 VanDerWaalsContact O-CD1 3.31Å; A22-I35 WeakPolarHBondContact O-CD1 3.49Å; L25-I35 HydrophobicContact CB-CD1 4.08Å; R26-I35 HydrophobicContact CB-CD1 4.31Å; V33-I35 HydrophobicContact CG1-CD1 4.1Å; V33-I35 HydrophobicContact CG1-CG1 4.1Å; V33-I35 HydrophobicContact CG2-CD1 4.48Å; V33-I35 HydrophobicContact CG2-CG1 3.78Å; I35-L245 HydrophobicContact CB-CD2 4.02Å; I35-L245 HydrophobicContact CG2-CD2 3.88Å; I35-N248 PolarHBondContact N-OD1 3.38Å; I35-N248 PolarHBondContact O-ND2 3.19Å |
| 36 | T | 98.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.8 | 168.1 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | V9 A10 V11 F38 P253 I257 F289 | V9-T36 PolarHBondContact O-N 3.37Å; A10-T36 CarbonylContact C-O 3.52Å; A10-T36 WeakPolarHBondContact CA-O 3.43Å; V11-T36 PolarHBondContact N-O 3Å; T36-F38 HydrophobicContact CG2-CD2 4.21Å; T36-F38 HydrophobicContact CG2-CE1 4.02Å; T36-F38 HydrophobicContact CG2-CE2 3.54Å; T36-F38 HydrophobicContact CG2-CZ 3.45Å; T36-F38 VanDerWaalsContact CG2-CZ 3.45Å; T36-P253 HydrophobicContact CG2-CG 4.38Å; T36-I257 HydrophobicContact CG2-CD1 3.44Å; T36-I257 VanDerWaalsContact CG2-CD1 3.44Å; T36-I257 HydrophobicContact CG2-CG1 4.05Å; T36-F289 HydrophobicContact CG2-CE1 4.5Å; T36-F289 HydrophobicContact CG2-CZ 4.29Å |
| 37 | L | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.4 | 175.8 | -168.9 | 150.5 | 0 | 0 | 0 | 109.7 | V11 E39 I44 V241 L245 F256 I257 | V11-L37 HydrophobicContact CB-CB 4.49Å; V11-L37 HydrophobicContact CB-CG 4.31Å; V11-L37 HydrophobicContact CG1-CD1 4.23Å; V11-L37 HydrophobicContact CG1-CG 4.33Å; V11-L37 CarbonylContact O-C 3.58Å; V11-L37 WeakPolarHBondContact O-CA 3.3Å; L37-E39 HydrophobicContact CD2-CB 4.06Å; L37-I44 HydrophobicContact CD2-CD1 3.83Å; L37-V241 HydrophobicContact CD1-CG1 4.23Å; L37-V241 HydrophobicContact CD1-CG2 3.73Å; L37-L245 HydrophobicContact CB-CD1 4.37Å; L37-F256 HydrophobicContact CB-CB 4.19Å; L37-F256 HydrophobicContact CD2-CB 3.55Å; L37-F256 HydrophobicContact CD2-CG 4.43Å; L37-F256 HydrophobicContact CG-CB 4.46Å; L37-F256 CarbonylContact O-C 3.58Å; L37-F256 WeakPolarHBondContact O-CA 3.15Å; L37-I257 PolarHBondContact O-N 3.17Å |
| 38 | F | 98.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.8 | 176.4 | -60.1 | -89.4 | 0 | 0 | 0 | 109.6 | A10 V11 G13 T36 I257 A259 V261 L274 Y276 F289 | A10-F38 HydrophobicContact CB-CD2 4.37Å; A10-F38 HydrophobicContact CB-CE2 3.88Å; V11-F38 PolarHBondContact O-N 2.89Å; G13-F38 PolarHBondContact N-O 3.4Å; T36-F38 HydrophobicContact CG2-CD2 4.21Å; T36-F38 HydrophobicContact CG2-CE1 4.02Å; T36-F38 HydrophobicContact CG2-CE2 3.54Å; T36-F38 HydrophobicContact CG2-CZ 3.45Å; T36-F38 VanDerWaalsContact CG2-CZ 3.45Å; F38-I257 WeakPolarHBondContact CA-O 3.19Å; F38-I257 HydrophobicContact CD1-CB 3.95Å; F38-I257 HydrophobicContact CD1-CD1 4.35Å; F38-I257 HydrophobicContact CD1-CG2 4.18Å; F38-I257 HydrophobicContact CE1-CB 4.26Å; F38-I257 HydrophobicContact CE1-CD1 3.8Å; F38-I257 HydrophobicContact CE1-CG2 4.37Å; F38-I257 HydrophobicContact CZ-CD1 4.34Å; F38-A259 HydrophobicContact CD1-CB 4.3Å; F38-V261 HydrophobicContact CB-CG2 3.89Å; F38-V261 HydrophobicContact CD1-CG2 4.33Å; F38-V261 HydrophobicContact CD2-CG2 4.35Å; F38-V261 HydrophobicContact CG-CG2 3.95Å; F38-L274 HydrophobicContact CD2-CD2 4.33Å; F38-L274 HydrophobicContact CE2-CD2 3.98Å; F38-Y276 HydrophobicContact CD1-CD1 4.3Å; F38-Y276 HydrophobicContact CD1-CD2 4.36Å; F38-Y276 HydrophobicContact CD1-CG 4.16Å; F38-Y276 AromaticContact CE1-CD1 3.54Å; F38-Y276 HydrophobicContact CE1-CD1 3.54Å; F38-Y276 HydrophobicContact CE1-CD2 4.02Å; F38-Y276 AromaticContact CE1-CE1 3.56Å; F38-Y276 HydrophobicContact CE1-CE1 3.56Å; F38-Y276 HydrophobicContact CE1-CE2 4.04Å; F38-Y276 AromaticContact CE1-CG 3.78Å; F38-Y276 HydrophobicContact CE1-CG 3.78Å; F38-Y276 AromaticContact CE1-CZ 3.84Å; F38-Y276 HydrophobicContact CZ-CD1 4.01Å; F38-Y276 AromaticContact CZ-CE1 3.9Å; F38-Y276 HydrophobicContact CZ-CE1 3.9Å; F38-F289 HydrophobicContact CE2-CE2 4.13Å; F38-F289 AromaticContact CE2-CZ 3.77Å; F38-F289 HydrophobicContact CE2-CZ 3.77Å; F38-F289 HydrophobicContact CZ-CE2 4.06Å; F38-F289 AromaticContact CZ-CZ 3.72Å; F38-F289 HydrophobicContact CZ-CZ 3.72Å |
| 39 | E | 97.8 | Very high | 96 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.2 | 178.4 | 173.1 | 47.5 | -124.3 | 0 | 0 | 110.8 | G14 L37 S41 R43 I44 F256 I257 H258 A259 | G14-E39 WeakPolarHBondContact CA-OE2 3.48Å; G14-E39 PolarHBondContact N-OE2 2.95Å; L37-E39 HydrophobicContact CD2-CB 4.06Å; E39-S41 VanDerWaalsContact OE1-CB 3.24Å; E39-S41 WeakPolarHBondContact OE1-CB 3.31Å; E39-S41 PolarHBondContact OE1-N 2.83Å; E39-S41 PolarHBondContact OE1-OG 3.4Å; E39-R43 WeakPolarHBondContact CG-O 3.17Å; E39-I44 HydrophobicContact CB-CD1 4.35Å; E39-I44 HydrophobicContact CG-CD1 4.44Å; E39-F256 HydrophobicContact CB-CD2 3.84Å; E39-F256 HydrophobicContact CB-CE2 4.28Å; E39-F256 HydrophobicContact CB-CG 4.5Å; E39-I257 PolarHBondContact N-O 3.1Å; E39-H258 WeakPolarHBondContact O-CA 3.36Å; E39-H258 PolarHBondContact O-CD2 3.06Å; E39-A259 CarbonylContact C-O 3.58Å; E39-A259 PolarHBondContact O-N 3Å |
| 40 | K | 95.5 | Very high | 95.8 | Very high | 142 Ų | 142 | 40.4 Ų | 40.4 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -26.8 | -173.1 | 72.6 | 173.8 | -174.9 | 177.9 | 0 | 114.4 | H258 A259 | K40-H258 PolarHBondContact O-NE2 3.42Å; K40-A259 WeakPolarHBondContact CA-O 3.36Å; K40-A259 PolarHBondContact N-O 2.89Å |
| 41 | S | 94 | Very high | 95.6 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 47% | 0.469 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.4 | -172.9 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | E39 R43 | E39-S41 VanDerWaalsContact OE1-CB 3.24Å; E39-S41 WeakPolarHBondContact OE1-CB 3.31Å; E39-S41 PolarHBondContact OE1-N 2.83Å; E39-S41 PolarHBondContact OE1-OG 3.4Å; S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 PolarHBondContact OG-N 3.02Å; S41-R43 PolarHBondContact OG-O 3.45Å |
| 42 | G | 95.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 32% | 0.32 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 73.1 | 6.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F256 H258 | G42-F256 WeakPolarHBondContact O-CZ 3.41Å; G42-H258 PolarHBondContact N-CD2 2.96Å; G42-H258 VanDerWaalsContact N-CD2 3.33Å; G42-H258 PolarHBondContact N-NE2 3.38Å |
| 43 | R | 95.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | trans | -134.3 | 127.6 | -178.8 | -173.8 | -170.1 | 62.1 | 90.6 | 12.3 | 112.1 | E39 S41 G46 I48 E234 | E39-R43 WeakPolarHBondContact CG-O 3.17Å; S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 PolarHBondContact OG-N 3.02Å; S41-R43 PolarHBondContact OG-O 3.45Å; R43-G46 PolarHBondContact NH2-O 3.45Å; R43-I48 PolarHBondContact NH1-O 2.62Å; R43-E234 IonicContact CZ-OE2 3.48Å; R43-E234 IonicContact NH1-OE2 3.48Å; R43-E234 PolarHBondContact NH1-OE2 2.86Å | ||
| 44 | I | 97.9 | Very high | 95 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 135.8 | 170.3 | -58.1 | -55.7 | 0 | 0 | 0 | 110.3 | G14 L37 E39 P237 Q238 V241 F256 | G14-I44 WeakPolarHBondContact O-CG2 3.46Å; L37-I44 HydrophobicContact CD2-CD1 3.83Å; E39-I44 HydrophobicContact CB-CD1 4.35Å; E39-I44 HydrophobicContact CG-CD1 4.44Å; I44-P237 HydrophobicContact CG2-CB 4.07Å; I44-P237 WeakPolarHBondContact CG2-O 3.12Å; I44-Q238 HydrophobicContact CB-CG 4.06Å; I44-Q238 HydrophobicContact CG2-CG 4.14Å; I44-V241 HydrophobicContact CD1-CG1 4.29Å; I44-V241 HydrophobicContact CD1-CG2 4.24Å; I44-V241 HydrophobicContact CG1-CG1 4.35Å; I44-V241 HydrophobicContact CG1-CG2 4.43Å; I44-V241 HydrophobicContact CG2-CB 4.3Å; I44-V241 HydrophobicContact CG2-CG2 3.78Å; I44-F256 HydrophobicContact CD1-CB 4.24Å; I44-F256 HydrophobicContact CD1-CD1 3.72Å; I44-F256 HydrophobicContact CD1-CE1 4.22Å; I44-F256 HydrophobicContact CD1-CG 3.91Å; I44-F256 HydrophobicContact CG1-CD1 3.79Å; I44-F256 HydrophobicContact CG1-CE1 3.96Å; I44-F256 HydrophobicContact CG1-CG 4.48Å |
| 45 | G | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | 135.7 | -30 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G14 R47 I48 | G14-G45 PolarHBondContact O-N 3.21Å; G45-R47 PolarHBondContact O-N 3.4Å; G45-I48 CarbonylContact C-O 3.52Å; G45-I48 WeakPolarHBondContact O-CB 3.45Å; G45-I48 PolarHBondContact O-N 2.96Å |
| 46 | G | 94.2 | Very high | 93.5 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -119.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R43 I48 | R43-G46 PolarHBondContact NH2-O 3.45Å; G46-I48 PolarHBondContact O-N 3.13Å |
| 47 | R | 93.2 | Very high | 93 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 21% | 0.211 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -9.5 | 178.2 | -83 | 177.6 | -68.2 | 175.6 | -4 | 114.8 | G45 W419 L420 A421 E451 | G45-R47 PolarHBondContact O-N 3.4Å; R47-W419 HydrophobicContact CB-CE3 3.9Å; R47-W419 HydrophobicContact CB-CZ3 3.72Å; R47-W419 HydrophobicContact CG-CE3 3.7Å; R47-W419 HydrophobicContact CG-CZ3 3.93Å; R47-W419 WeakPolarHBondContact O-CZ3 2.96Å; R47-L420 VanDerWaalsContact CD-O 3.23Å; R47-L420 WeakPolarHBondContact CD-O 3.11Å; R47-A421 WeakPolarHBondContact CD-O 3.38Å; R47-A421 PolarHBondContact NH1-O 3.3Å; R47-E451 IonicContact CZ-OE1 2.89Å; R47-E451 IonicContact CZ-OE2 3.21Å; R47-E451 VanDerWaalsContact CZ-OE2 3.27Å; R47-E451 IonicContact NH1-OE1 3.12Å; R47-E451 IonicContact NH1-OE2 2.65Å; R47-E451 PolarHBondContact NH1-OE2 2.86Å; R47-E451 IonicContact NH2-OE1 2.67Å; R47-E451 PolarHBondContact NH2-OE1 2.81Å; R47-E451 IonicContact NH2-OE2 2.97Å; R47-E451 PolarHBondContact NH2-OE2 2.86Å |
| 48 | I | 94.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | trans | -89.4 | 109.8 | 165.6 | -50.1 | 175.2 | 0 | 0 | 0 | 106 | I16 R43 G45 G46 A62 A233 E234 P237 M457 | I16-I48 HydrophobicContact CB-CD1 3.67Å; I16-I48 HydrophobicContact CD1-CD1 4.42Å; I16-I48 HydrophobicContact CG1-CD1 4.12Å; I16-I48 HydrophobicContact CG2-CD1 4Å; R43-I48 PolarHBondContact NH1-O 2.62Å; G45-I48 CarbonylContact C-O 3.52Å; G45-I48 WeakPolarHBondContact O-CB 3.45Å; G45-I48 PolarHBondContact O-N 2.96Å; G46-I48 PolarHBondContact O-N 3.13Å; I48-A62 HydrophobicContact CG1-CB 4.42Å; I48-A233 VanDerWaalsContact CG2-C 3.48Å; I48-A233 HydrophobicContact CG2-CB 3.63Å; I48-E234 HydrophobicContact CG2-CB 4.18Å; I48-P237 HydrophobicContact CD1-CG 4.26Å; I48-M457 HydrophobicContact CD1-CG 3.67Å; I48-M457 HydrophobicContact CD1-SD 3.55Å; I48-M457 VanDerWaalsContact CD1-SD 3.55Å; I48-M457 HydrophobicContact CG1-CG 4.08Å; I48-M457 HydrophobicContact CG1-SD 4.04Å; I48-M457 HydrophobicContact CG2-SD 4.45Å | ||
| 49 | K | 93 | Very high | 92.2 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | trans | -151.3 | 132.4 | -172.6 | 178.6 | -178.7 | 179.1 | -171.8 | 0 | 109.3 | S60 | K49-S60 WeakPolarHBondContact CB-OG 3.45Å; K49-S60 WeakPolarHBondContact O-CB 3.39Å; K49-S60 PolarHBondContact O-N 3.35Å; K49-S60 PolarHBondContact O-OG 3.33Å | ||
| 50 | T | 92.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 42 Ų | 42 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 158 | 169.1 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | T57 C58 E234 | T50-T57 HydrophobicContact CG2-CG2 3.6Å; T50-C58 CarbonylContact C-O 3.53Å; T50-C58 VanDerWaalsContact CA-O 3.23Å; T50-C58 WeakPolarHBondContact CA-O 3.41Å; T50-E234 HydrophobicContact CG2-CG 4.41Å; T50-E234 PolarHBondContact OG1-OE1 3.03Å |
| 51 | V | 92 | Very high | 91.2 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 135.4 | 170.6 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | F53 C58 F324 V417 | V51-F53 PolarHBondContact O-N 3.08Å; V51-C58 HydrophobicContact CG2-CB 4.08Å; V51-C58 PolarHBondContact N-O 2.76Å; V51-C58 PolarHBondContact O-N 3.42Å; V51-F324 HydrophobicContact CG2-CD2 3.82Å; V51-F324 HydrophobicContact CG2-CE2 3.47Å; V51-F324 VanDerWaalsContact CG2-CE2 3.47Å; V51-F324 HydrophobicContact CG2-CZ 4.05Å; V51-V417 HydrophobicContact CG1-CG2 3.68Å; V51-V417 HydrophobicContact CG2-CG2 4.44Å |
| 52 | P | 91.8 | Very high | 90.4 | Very high | 116 Ų | 116 | 33.2 Ų | 33.2 | 75% | 0.753 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.3 | 169.8 | 29.7 | -32.1 | 0 | 0 | 0 | 109.3 | E56 | P52-E56 CarbonylContact C-O 3.56Å; P52-E56 WeakPolarHBondContact CA-O 3.29Å |
| 53 | F | 90.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 125.2 | 179.5 | -171.7 | -96.9 | 0 | 0 | 0 | 110.7 | V51 G55 E56 F324 V382 Q413 D415 | V51-F53 PolarHBondContact O-N 3.08Å; F53-G55 PolarHBondContact O-N 2.99Å; F53-E56 PolarHBondContact N-O 2.89Å; F53-E56 PolarHBondContact O-N 3.22Å; F53-F324 HydrophobicContact CD1-CB 3.83Å; F53-F324 HydrophobicContact CD2-CB 3.86Å; F53-F324 HydrophobicContact CE1-CB 3.84Å; F53-F324 HydrophobicContact CE2-CB 3.88Å; F53-F324 HydrophobicContact CG-CB 3.84Å; F53-F324 HydrophobicContact CG-CG 4.47Å; F53-F324 HydrophobicContact CZ-CB 3.86Å; F53-V382 HydrophobicContact CD1-CB 4.48Å; F53-V382 HydrophobicContact CD1-CG1 3.66Å; F53-V382 HydrophobicContact CD1-CG2 3.95Å; F53-V382 HydrophobicContact CE1-CG1 3.77Å; F53-V382 HydrophobicContact CE1-CG2 4.08Å; F53-Q413 HydrophobicContact CE2-CB 4.1Å; F53-Q413 HydrophobicContact CZ-CB 3.86Å; F53-Q413 WeakPolarHBondContact CZ-O 3.28Å; F53-D415 HydrophobicContact CD2-CB 3.8Å; F53-D415 HydrophobicContact CE2-CB 3.87Å |
| 54 | C | 88.1 | Confident | 89.3 | Confident | 19 Ų | 19 | 33.2 Ų | 33.2 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 41.1 | -177.3 | -59.2 | 0 | 0 | 0 | 0 | 114.5 | E56 S326 F371 L378 V382 Q413 | C54-E56 PolarHBondContact O-N 3.19Å; C54-S326 VanDerWaalsContact SG-CB 3.56Å; C54-F371 HydrophobicContact CB-CE2 4.43Å; C54-F371 WeakPolarHBondContact O-CZ 3.23Å; C54-L378 HydrophobicContact CB-CD1 3.79Å; C54-L378 HydrophobicContact CB-CD2 3.97Å; C54-V382 HydrophobicContact CB-CG2 4.09Å; C54-Q413 PolarHBondContact SG-OE1 2.79Å |
| 55 | G | 83.9 | Confident | 89.1 | Confident | 84 Ų | 84 | 32.8 Ų | 32.8 | 87% | 0.866 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F53 | F53-G55 PolarHBondContact O-N 2.99Š|
| 56 | E | 82.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 15% | 0.15 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 159.5 | 178.7 | -65.3 | -69.5 | 169.9 | 0 | 0 | 112 | P52 F53 C54 F371 K372 S373 | P52-E56 CarbonylContact C-O 3.56Å; P52-E56 WeakPolarHBondContact CA-O 3.29Å; F53-E56 PolarHBondContact N-O 2.89Å; F53-E56 PolarHBondContact O-N 3.22Å; C54-E56 PolarHBondContact O-N 3.19Å; E56-F371 HydrophobicContact CB-CE2 4.24Å; E56-F371 HydrophobicContact CG-CD2 3.44Å; E56-F371 VanDerWaalsContact CG-CD2 3.44Å; E56-F371 HydrophobicContact CG-CE1 4.46Å; E56-F371 HydrophobicContact CG-CE2 3.11Å; E56-F371 HydrophobicContact CG-CG 4.24Å; E56-F371 HydrophobicContact CG-CZ 3.68Å; E56-K372 WeakPolarHBondContact OE1-CB 3.42Å; E56-K372 PolarHBondContact OE1-N 2.85Å; E56-S373 PolarHBondContact OE1-N 3.28Å |
| 57 | T | 88.6 | Confident | 88.8 | Confident | 70 Ų | 70 | 34.7 Ų | 34.7 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.2 | 169.9 | -61.7 | 0 | 0 | 0 | 0 | 109.1 | T50 | T50-T57 HydrophobicContact CG2-CG2 3.6Å |
| 58 | C | 88.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131 | -178.7 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | T50 V51 S60 F324 L369 | T50-C58 CarbonylContact C-O 3.53Å; T50-C58 VanDerWaalsContact CA-O 3.23Å; T50-C58 WeakPolarHBondContact CA-O 3.41Å; V51-C58 HydrophobicContact CG2-CB 4.08Å; V51-C58 PolarHBondContact N-O 2.76Å; V51-C58 PolarHBondContact O-N 3.42Å; C58-S60 PolarHBondContact O-N 3.32Å; C58-F324 HydrophobicContact CB-CD1 4Å; C58-F324 HydrophobicContact CB-CE1 3.65Å; C58-F324 HydrophobicContact CB-CZ 4.05Å; C58-L369 HydrophobicContact CB-CD1 4.43Å |
| 59 | E | 91.4 | Very high | 88.9 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 130.9 | 168 | -68.8 | -68.4 | -179.1 | 0 | 0 | 109.7 | G232 A233 R322 F324 | E59-G232 VanDerWaalsContact OE1-CA 3.25Å; E59-G232 WeakPolarHBondContact OE1-CA 3.46Å; E59-A233 WeakPolarHBondContact OE1-CB 3.47Å; E59-A233 PolarHBondContact OE1-N 3.17Å; E59-R322 PolarHBondContact O-NH1 2.78Å; E59-R322 PolarHBondContact O-NH2 3.11Å; E59-R322 VanDerWaalsContact O-NH2 3.11Å; E59-F324 WeakPolarHBondContact O-CZ 3.36Å |
| 60 | S | 88.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -98.5 | -19.3 | 176.8 | 67.2 | 0 | 0 | 0 | 0 | 114.1 | K49 C58 R322 | K49-S60 WeakPolarHBondContact CB-OG 3.45Å; K49-S60 WeakPolarHBondContact O-CB 3.39Å; K49-S60 PolarHBondContact O-N 3.35Å; K49-S60 PolarHBondContact O-OG 3.33Å; C58-S60 PolarHBondContact O-N 3.32Å; S60-R322 WeakPolarHBondContact O-CD 3.36Å |
| 61 | G | 82.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -123.9 | -120.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | S63 R322 W419 | G61-S63 PolarHBondContact O-N 3.31Å; G61-R322 PolarHBondContact O-NH1 3.47Å; G61-R322 VanDerWaalsContact O-NH1 3.1Å; G61-W419 VanDerWaalsContact CA-CZ3 3.45Å |
| 62 | A | 78 | Confident | 89.6 | Confident | 21 Ų | 21 | 35 Ų | 35 | 17% | 0.174 | 23% | 0.228 | C | C | . | . | trans | -63.5 | 120.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I48 M457 | I48-A62 HydrophobicContact CG1-CB 4.42Å; A62-M457 HydrophobicContact CB-CE 4.2Å; A62-M457 HydrophobicContact CB-CG 3.71Å; A62-M457 HydrophobicContact CB-SD 4.02Å | ||
| 63 | S | 81.9 | Confident | 89.8 | Confident | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | trans | -119.8 | -22.8 | -174.4 | 54.5 | 0 | 0 | 0 | 0 | 114.5 | G61 T228 | G61-S63 PolarHBondContact O-N 3.31Å; S63-T228 WeakPolarHBondContact O-CG2 3.44Å | ||
| 64 | A | 87 | Confident | 90.1 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 45% | 0.446 | 22% | 0.221 | S | C | . | . | trans | -110.1 | 137.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V226 | A64-V226 HydrophobicContact CB-CG1 3.63Š| ||
| 65 | I | 91.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.3 | 173.2 | -59.5 | 168.2 | 0 | 0 | 0 | 107.8 | N69 M72 V226 F227 I229 M457 | I65-N69 HydrophobicContact CG2-CB 4.02Å; I65-M72 HydrophobicContact CD1-CB 4.24Å; I65-M72 HydrophobicContact CD1-CE 3.5Å; I65-M72 VanDerWaalsContact CD1-CE 3.5Å; I65-M72 HydrophobicContact CG1-CB 4.33Å; I65-M72 HydrophobicContact CG1-CE 3.99Å; I65-M72 HydrophobicContact CG1-CG 4.49Å; I65-M72 HydrophobicContact CG2-CB 3.7Å; I65-M72 HydrophobicContact CG2-CG 4.47Å; I65-V226 CarbonylContact O-C 3.49Å; I65-V226 WeakPolarHBondContact O-CA 3.22Å; I65-F227 HydrophobicContact CB-CB 4.39Å; I65-F227 PolarHBondContact N-O 3.41Å; I65-F227 PolarHBondContact O-N 2.81Å; I65-I229 HydrophobicContact CD1-CD1 3.7Å; I65-I229 HydrophobicContact CD1-CG1 3.53Å; I65-M457 HydrophobicContact CD1-CE 4.34Å; I65-M457 HydrophobicContact CG1-CE 3.61Å |
| 66 | H | 92.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 145.3 | 175.6 | 178.7 | -94.8 | 0 | 0 | 0 | 110.3 | S68 N69 A220 S224 | H66-S68 PolarHBondContact CE1-OG 3.46Å; H66-S68 WeakPolarHBondContact ND1-CB 3.28Å; H66-S68 PolarHBondContact ND1-N 3.03Å; H66-S68 VanDerWaalsContact ND1-N 3.13Å; H66-S68 PolarHBondContact O-N 2.88Å; H66-S68 VanDerWaalsContact O-N 3.07Å; H66-N69 PolarHBondContact N-ND2 3.13Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.34Å; H66-A220 PolarHBondContact CD2-O 2.87Å; H66-A220 PolarHBondContact NE2-O 3.28Å; H66-S224 PolarHBondContact CE1-OG 3.5Å; H66-S224 WeakPolarHBondContact NE2-CB 3.46Å; H66-S224 PolarHBondContact NE2-OG 2.53Å |
| 67 | S | 92.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.4 | -176 | 65.4 | 0 | 0 | 0 | 0 | 114.9 | N69 S224 D225 | S67-N69 VanDerWaalsContact C-N 3.35Å; S67-S224 WeakPolarHBondContact OG-CB 3.47Å; S67-D225 WeakPolarHBondContact CB-O 3.44Å; S67-D225 PolarHBondContact N-O 3.26Å |
| 68 | S | 93.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -0.4 | 175.2 | -48.5 | 0 | 0 | 0 | 0 | 114.4 | H66 Y70 Y145 | H66-S68 PolarHBondContact CE1-OG 3.46Å; H66-S68 WeakPolarHBondContact ND1-CB 3.28Å; H66-S68 PolarHBondContact ND1-N 3.03Å; H66-S68 VanDerWaalsContact ND1-N 3.13Å; H66-S68 PolarHBondContact O-N 2.88Å; H66-S68 VanDerWaalsContact O-N 3.07Å; S68-Y70 VanDerWaalsContact C-N 3.34Å; S68-Y70 PolarHBondContact O-N 3.17Å; S68-Y145 WeakPolarHBondContact O-CE2 3.42Å; S68-Y145 PolarHBondContact O-OH 2.99Å; S68-Y145 VanDerWaalsContact O-OH 3.12Å |
| 69 | N | 95.7 | Very high | 92.7 | Very high | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | trans | -76.2 | 85.2 | 177.1 | -68.5 | -2.2 | 0 | 0 | 0 | 109.9 | I65 H66 S67 Y71 M72 Y73 E458 | I65-N69 HydrophobicContact CG2-CB 4.02Å; H66-N69 PolarHBondContact N-ND2 3.13Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.34Å; S67-N69 VanDerWaalsContact C-N 3.35Å; N69-Y71 PolarHBondContact O-N 3.2Å; N69-M72 HydrophobicContact CB-CB 4.32Å; N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 PolarHBondContact O-N 3.33Å; N69-Y73 VanDerWaalsContact O-N 3.13Å; N69-E458 HydrophobicContact CB-CB 4.05Å; N69-E458 HydrophobicContact CB-CG 3.85Å; N69-E458 WeakPolarHBondContact CB-OE2 3.45Å | ||
| 70 | Y | 97.1 | Very high | 93 | Very high | 116 Ų | 116 | 46.1 Ų | 46.1 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | -173.4 | 173 | -99.1 | 0 | 0 | 0 | 113 | S68 S74 Y145 E458 | S68-Y70 VanDerWaalsContact C-N 3.34Å; S68-Y70 PolarHBondContact O-N 3.17Å; Y70-S74 WeakPolarHBondContact CE2-OG 3.39Å; Y70-S74 WeakPolarHBondContact O-CB 3.28Å; Y70-S74 PolarHBondContact O-N 2.86Å; Y70-S74 PolarHBondContact O-OG 3.32Å; Y70-Y145 AromaticContact CD1-CD1 3.84Å; Y70-Y145 HydrophobicContact CD1-CD1 3.84Å; Y70-Y145 HydrophobicContact CD1-CE1 4.32Å; Y70-Y145 HydrophobicContact CD1-CG 4.01Å; Y70-Y145 HydrophobicContact CG-CD1 4.13Å; Y70-Y145 HydrophobicContact CG-CD2 4.18Å; Y70-Y145 HydrophobicContact CG-CE1 4.4Å; Y70-Y145 HydrophobicContact CG-CE2 4.45Å; Y70-Y145 HydrophobicContact CG-CG 4.01Å; Y70-Y145 PolarHBondContact N-OH 3.13Å; Y70-Y145 VanDerWaalsContact N-OH 3.08Å; Y70-E458 PolarHBondContact N-OE1 3.23Å |
| 71 | Y | 98.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.8 | -48.5 | -175.4 | -69 | -52.9 | 0 | 0 | 0 | 112.6 | F24 N69 Y73 S74 F75 Y145 Q148 E458 I461 I462 R465 | F24-Y71 HydrophobicContact CZ-CD1 4.03Å; F24-Y71 HydrophobicContact CZ-CE1 4Å; N69-Y71 PolarHBondContact O-N 3.2Å; Y71-Y73 VanDerWaalsContact C-N 3.27Å; Y71-Y73 PolarHBondContact O-N 3.27Å; Y71-S74 PolarHBondContact O-N 2.97Å; Y71-F75 WeakPolarHBondContact O-CB 3.39Å; Y71-F75 VanDerWaalsContact O-CD2 3.25Å; Y71-F75 WeakPolarHBondContact O-CD2 3.37Å; Y71-F75 VanDerWaalsContact O-CG 3.28Å; Y71-F75 WeakPolarHBondContact O-CG 3.39Å; Y71-F75 PolarHBondContact O-N 3.46Å; Y71-Y145 HydrophobicContact CD2-CD1 4.19Å; Y71-Y145 AromaticContact CD2-CE1 3.82Å; Y71-Y145 HydrophobicContact CD2-CE1 3.82Å; Y71-Y145 AromaticContact CE2-CD1 3.67Å; Y71-Y145 HydrophobicContact CE2-CD1 3.67Å; Y71-Y145 AromaticContact CE2-CE1 3.72Å; Y71-Y145 HydrophobicContact CE2-CE1 3.72Å; Y71-Y145 AromaticContact CZ-CD1 3.82Å; Y71-Q148 PolarHBondContact OH-OE1 2.92Å; Y71-E458 WeakPolarHBondContact CB-OE1 3.47Å; Y71-E458 WeakPolarHBondContact CD2-OE1 3.06Å; Y71-E458 PolarHBondContact N-OE1 2.98Å; Y71-E458 PolarHBondContact N-OE2 3.01Å; Y71-I461 HydrophobicContact CD1-CG2 4.3Å; Y71-I461 HydrophobicContact CD2-CB 4.17Å; Y71-I461 HydrophobicContact CD2-CG2 3.54Å; Y71-I461 HydrophobicContact CE2-CG2 4.36Å; Y71-I461 HydrophobicContact CG-CB 4.41Å; Y71-I461 HydrophobicContact CG-CG2 3.52Å; Y71-I462 HydrophobicContact CD2-CG1 4.09Å; Y71-I462 HydrophobicContact CE2-CG1 3.89Å; Y71-R465 WeakPolarHBondContact OH-CD 3.47Å; Y71-R465 PolarHBondContact OH-NH1 3.04Å |
| 72 | M | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.9 | -44.9 | 175.7 | -75.1 | -59.3 | -61.2 | 0 | 0 | 111.5 | I65 N69 A76 I236 M457 E458 I461 | I65-M72 HydrophobicContact CD1-CB 4.24Å; I65-M72 HydrophobicContact CD1-CE 3.5Å; I65-M72 VanDerWaalsContact CD1-CE 3.5Å; I65-M72 HydrophobicContact CG1-CB 4.33Å; I65-M72 HydrophobicContact CG1-CE 3.99Å; I65-M72 HydrophobicContact CG1-CG 4.49Å; I65-M72 HydrophobicContact CG2-CB 3.7Å; I65-M72 HydrophobicContact CG2-CG 4.47Å; N69-M72 HydrophobicContact CB-CB 4.32Å; M72-A76 WeakPolarHBondContact O-CB 3.35Å; M72-A76 PolarHBondContact O-N 3.1Å; M72-I236 HydrophobicContact CE-CB 4.43Å; M72-I236 HydrophobicContact CE-CG1 4.01Å; M72-I236 HydrophobicContact CE-CG2 4.4Å; M72-I236 HydrophobicContact SD-CG2 4.27Å; M72-M457 HydrophobicContact CE-CB 4.5Å; M72-M457 HydrophobicContact CE-CE 3.96Å; M72-M457 HydrophobicContact CE-SD 3.66Å; M72-M457 HydrophobicContact CG-CB 4.1Å; M72-M457 HydrophobicContact SD-CB 3.82Å; M72-M457 HydrophobicContact SD-SD 4.17Å; M72-E458 WeakPolarHBondContact CG-OE2 3.2Å; M72-E458 PolarHBondContact N-OE2 3.4Å; M72-I461 HydrophobicContact CG-CD1 3.94Å; M72-I461 HydrophobicContact SD-CD1 3.53Å; M72-I461 VanDerWaalsContact SD-CD1 3.53Å |
| 73 | Y | 95.5 | Very high | 94.6 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 45% | 0.447 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 177.3 | -165.9 | -83 | 0 | 0 | 0 | 112 | N69 Y71 F75 A76 N77 M83 | N69-Y73 WeakPolarHBondContact O-CB 3.37Å; N69-Y73 PolarHBondContact O-N 3.33Å; N69-Y73 VanDerWaalsContact O-N 3.13Å; Y71-Y73 VanDerWaalsContact C-N 3.27Å; Y71-Y73 PolarHBondContact O-N 3.27Å; Y73-F75 PolarHBondContact O-N 2.83Å; Y73-A76 PolarHBondContact O-N 3.09Å; Y73-N77 WeakPolarHBondContact O-CB 3.3Å; Y73-N77 PolarHBondContact O-N 3.14Å; Y73-M83 HydrophobicContact CD2-CE 3.42Å; Y73-M83 VanDerWaalsContact CD2-CE 3.42Å; Y73-M83 HydrophobicContact CD2-SD 3.92Å; Y73-M83 HydrophobicContact CE1-CE 4.47Å; Y73-M83 HydrophobicContact CE2-CE 3.36Å; Y73-M83 HydrophobicContact CE2-SD 4.34Å; Y73-M83 HydrophobicContact CG-CE 4.03Å |
| 74 | S | 96.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | -179.3 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | Y70 Y71 Q78 | Y70-S74 WeakPolarHBondContact CE2-OG 3.39Å; Y70-S74 WeakPolarHBondContact O-CB 3.28Å; Y70-S74 PolarHBondContact O-N 2.86Å; Y70-S74 PolarHBondContact O-OG 3.32Å; Y71-S74 PolarHBondContact O-N 2.97Å; S74-Q78 WeakPolarHBondContact O-CB 3.36Å; S74-Q78 PolarHBondContact O-N 2.76Å |
| 75 | F | 97.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 177.1 | -66.1 | -34.4 | 0 | 0 | 0 | 112.4 | Y23 F24 Y71 Y73 N77 Q78 F79 I236 L240 I461 | Y23-F75 HydrophobicContact CD1-CE1 4.09Å; Y23-F75 HydrophobicContact CD1-CZ 4.18Å; Y23-F75 AromaticContact CE1-CE1 3.64Å; Y23-F75 HydrophobicContact CE1-CE1 3.64Å; Y23-F75 HydrophobicContact CE1-CZ 4.16Å; Y23-F75 AromaticContact CZ-CE1 4Å; F24-F75 HydrophobicContact CE1-CZ 4.28Å; F24-F75 HydrophobicContact CE2-CZ 4.12Å; F24-F75 HydrophobicContact CZ-CE1 4.41Å; F24-F75 HydrophobicContact CZ-CE2 4.49Å; F24-F75 AromaticContact CZ-CZ 3.62Å; F24-F75 HydrophobicContact CZ-CZ 3.62Å; Y71-F75 WeakPolarHBondContact O-CB 3.39Å; Y71-F75 VanDerWaalsContact O-CD2 3.25Å; Y71-F75 WeakPolarHBondContact O-CD2 3.37Å; Y71-F75 VanDerWaalsContact O-CG 3.28Å; Y71-F75 WeakPolarHBondContact O-CG 3.39Å; Y71-F75 PolarHBondContact O-N 3.46Å; Y73-F75 PolarHBondContact O-N 2.83Å; F75-N77 VanDerWaalsContact C-N 3.31Å; F75-N77 PolarHBondContact O-N 3.46Å; F75-Q78 PolarHBondContact O-N 3.03Å; F75-F79 HydrophobicContact CB-CD2 4.19Å; F75-F79 HydrophobicContact CB-CE2 4.06Å; F75-F79 HydrophobicContact CD1-CE2 4.38Å; F75-F79 HydrophobicContact CG-CE2 4.41Å; F75-F79 WeakPolarHBondContact O-CB 3.44Å; F75-F79 WeakPolarHBondContact O-CD2 3.36Å; F75-F79 WeakPolarHBondContact O-CG 3.41Å; F75-F79 PolarHBondContact O-N 3.29Å; F75-I236 HydrophobicContact CB-CD1 4.07Å; F75-I236 HydrophobicContact CB-CG2 4.07Å; F75-I236 HydrophobicContact CD2-CG2 4.2Å; F75-L240 HydrophobicContact CD1-CD2 3.87Å; F75-L240 HydrophobicContact CD2-CD1 4.07Å; F75-L240 HydrophobicContact CD2-CD2 4.08Å; F75-L240 HydrophobicContact CE1-CD2 3.71Å; F75-L240 HydrophobicContact CE2-CD1 3.91Å; F75-L240 HydrophobicContact CE2-CD2 3.9Å; F75-L240 HydrophobicContact CG-CD2 4.06Å; F75-L240 HydrophobicContact CZ-CD1 4.46Å; F75-L240 HydrophobicContact CZ-CD2 3.71Å; F75-I461 HydrophobicContact CD2-CD1 4.1Å; F75-I461 HydrophobicContact CE2-CD1 3.99Å; F75-I461 HydrophobicContact CE2-CG1 4.39Å; F75-I461 HydrophobicContact CE2-CG2 3.81Å; F75-I461 HydrophobicContact CZ-CG2 4.39Å |
| 76 | A | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M72 Y73 K80 I81 M83 I229 I236 | M72-A76 WeakPolarHBondContact O-CB 3.35Å; M72-A76 PolarHBondContact O-N 3.1Å; Y73-A76 PolarHBondContact O-N 3.09Å; A76-K80 WeakPolarHBondContact O-CA 3.33Å; A76-K80 PolarHBondContact O-N 3.3Å; A76-I81 PolarHBondContact O-N 3.4Å; A76-M83 HydrophobicContact CB-CE 4.04Å; A76-M83 HydrophobicContact CB-CG 3.95Å; A76-M83 HydrophobicContact CB-SD 3.74Å; A76-I229 HydrophobicContact CB-CD1 4.09Å; A76-I236 HydrophobicContact CB-CD1 4.12Å |
| 77 | N | 96.8 | Very high | 93.6 | Very high | 117 Ų | 117 | 57 Ų | 57 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.6 | -46.1 | 176.2 | -175.8 | 66.8 | 0 | 0 | 0 | 112.6 | Y73 F75 F79 K80 | Y73-N77 WeakPolarHBondContact O-CB 3.3Å; Y73-N77 PolarHBondContact O-N 3.14Å; F75-N77 VanDerWaalsContact C-N 3.31Å; F75-N77 PolarHBondContact O-N 3.46Å; N77-F79 VanDerWaalsContact C-N 3.31Å; N77-F79 PolarHBondContact O-N 2.96Å; N77-K80 PolarHBondContact O-N 3.2Å |
| 78 | Q | 97.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 60.3 Ų | 60.3 | 46% | 0.458 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 179 | 178.9 | 178.3 | -1.1 | 0 | 0 | 111.9 | Y23 S74 F75 K80 | Y23-Q78 PolarHBondContact OH-NE2 3Å; Y23-Q78 PolarHBondContact OH-OE1 2.82Å; S74-Q78 WeakPolarHBondContact O-CB 3.36Å; S74-Q78 PolarHBondContact O-N 2.76Å; F75-Q78 PolarHBondContact O-N 3.03Å; Q78-K80 VanDerWaalsContact C-N 3.34Å |
| 79 | F | 97.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 17% | 0.167 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 4 | -179.1 | -57.5 | -43.9 | 0 | 0 | 0 | 113.7 | Y23 F75 N77 I81 K239 L240 V243 | Y23-F79 HydrophobicContact CE2-CZ 4.14Å; F75-F79 HydrophobicContact CB-CD2 4.19Å; F75-F79 HydrophobicContact CB-CE2 4.06Å; F75-F79 HydrophobicContact CD1-CE2 4.38Å; F75-F79 HydrophobicContact CG-CE2 4.41Å; F75-F79 WeakPolarHBondContact O-CB 3.44Å; F75-F79 WeakPolarHBondContact O-CD2 3.36Å; F75-F79 WeakPolarHBondContact O-CG 3.41Å; F75-F79 PolarHBondContact O-N 3.29Å; N77-F79 VanDerWaalsContact C-N 3.31Å; N77-F79 PolarHBondContact O-N 2.96Å; F79-I81 HydrophobicContact CB-CD1 3.74Å; F79-I81 HydrophobicContact CB-CG1 3.96Å; F79-I81 HydrophobicContact CD2-CD1 4.39Å; F79-I81 PolarHBondContact O-N 2.92Å; F79-K239 HydrophobicContact CB-CB 4.49Å; F79-K239 HydrophobicContact CB-CG 4.36Å; F79-K239 HydrophobicContact CD1-CB 4.11Å; F79-K239 HydrophobicContact CD2-CB 3.62Å; F79-K239 HydrophobicContact CD2-CG 4.35Å; F79-K239 HydrophobicContact CE1-CB 4.24Å; F79-K239 HydrophobicContact CE2-CB 3.75Å; F79-K239 HydrophobicContact CG-CB 3.81Å; F79-K239 HydrophobicContact CG-CG 4.19Å; F79-K239 HydrophobicContact CZ-CB 4.06Å; F79-L240 HydrophobicContact CE2-CD2 3.79Å; F79-L240 HydrophobicContact CE2-CG 4.09Å; F79-L240 HydrophobicContact CZ-CD2 3.92Å; F79-L240 HydrophobicContact CZ-CG 4.5Å; F79-V243 HydrophobicContact CE1-CG2 4Å; F79-V243 HydrophobicContact CZ-CG2 4.45Å |
| 80 | K | 97.5 | Very high | 91.1 | Very high | 188 Ų | 188 | 59.5 Ų | 59.5 | 82% | 0.817 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.9 | -178.1 | -52.6 | -178.4 | -178.9 | -179.9 | 0 | 112.8 | A76 N77 Q78 | A76-K80 WeakPolarHBondContact O-CA 3.33Å; A76-K80 PolarHBondContact O-N 3.3Å; N77-K80 PolarHBondContact O-N 3.2Å; Q78-K80 VanDerWaalsContact C-N 3.34Å |
| 81 | I | 96.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | trans | -86.8 | 120.2 | 176.8 | -65.6 | 165.3 | 0 | 0 | 0 | 108.2 | A76 F79 I229 Q235 I236 K239 | A76-I81 PolarHBondContact O-N 3.4Å; F79-I81 HydrophobicContact CB-CD1 3.74Å; F79-I81 HydrophobicContact CB-CG1 3.96Å; F79-I81 HydrophobicContact CD2-CD1 4.39Å; F79-I81 PolarHBondContact O-N 2.92Å; I81-I229 HydrophobicContact CG2-CD1 4.09Å; I81-I229 HydrophobicContact CG2-CG2 3.4Å; I81-I229 VanDerWaalsContact CG2-CG2 3.4Å; I81-Q235 HydrophobicContact CD1-CB 3.76Å; I81-Q235 HydrophobicContact CG1-CB 4.44Å; I81-I236 HydrophobicContact CD1-CD1 3.56Å; I81-I236 HydrophobicContact CD1-CG1 4.2Å; I81-K239 HydrophobicContact CD1-CG 4.43Å | ||
| 82 | P | 94.1 | Very high | 90.2 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | trans | -65.9 | 135.7 | -177.2 | -19.5 | 31.5 | 0 | 0 | 0 | 112.9 | E230 | P82-E230 HydrophobicContact CB-CB 3.96Å; P82-E230 WeakPolarHBondContact CB-OE2 2.98Å; P82-E230 PolarHBondContact O-N 3.19Å | ||
| 83 | M | 92.1 | Very high | 90 | Very high | 44 Ų | 44 | 60.4 Ų | 60.4 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.6 | 172.2 | -73.2 | 179 | -64.5 | 0 | 0 | 109.9 | Y73 A76 F227 T228 I229 | Y73-M83 HydrophobicContact CD2-CE 3.42Å; Y73-M83 VanDerWaalsContact CD2-CE 3.42Å; Y73-M83 HydrophobicContact CD2-SD 3.92Å; Y73-M83 HydrophobicContact CE1-CE 4.47Å; Y73-M83 HydrophobicContact CE2-CE 3.36Å; Y73-M83 HydrophobicContact CE2-SD 4.34Å; Y73-M83 HydrophobicContact CG-CE 4.03Å; A76-M83 HydrophobicContact CB-CE 4.04Å; A76-M83 HydrophobicContact CB-CG 3.95Å; A76-M83 HydrophobicContact CB-SD 3.74Å; M83-F227 HydrophobicContact CB-CB 4.37Å; M83-F227 HydrophobicContact CB-CD1 4.21Å; M83-T228 CarbonylContact C-O 3.56Å; M83-T228 WeakPolarHBondContact CA-O 3.35Å; M83-I229 HydrophobicContact CG-CD1 3.61Å |
| 84 | V | 88.7 | Confident | 90.1 | Very high | 55 Ų | 55 | 55 Ų | 55 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.9 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | F227 T228 E230 | V84-F227 CarbonylContact O-C 3.56Å; V84-F227 VanDerWaalsContact O-CA 3.28Å; V84-F227 WeakPolarHBondContact O-CA 3.17Å; V84-T228 PolarHBondContact N-O 3.27Å; V84-T228 PolarHBondContact O-N 2.82Å; V84-E230 HydrophobicContact CG2-CB 4.21Å |
| 85 | P | 88.1 | Confident | 90.1 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 129.7 | 178.2 | 29.2 | -33.4 | 0 | 0 | 0 | 111.1 | R87 N88 F227 | P85-R87 VanDerWaalsContact C-N 3.28Å; P85-R87 HydrophobicContact CB-CG 4.26Å; P85-R87 PolarHBondContact O-N 3.31Å; P85-N88 PolarHBondContact O-N 3.37Å; P85-F227 HydrophobicContact CB-CD1 3.81Å; P85-F227 HydrophobicContact CB-CE1 3.69Å |
| 86 | L | 81.3 | Confident | 90 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -75.8 | -17.7 | -178.4 | -53.6 | -179.5 | 0 | 0 | 0 | 113.2 | N88 A89 Q91 V226 T228 W346 | L86-N88 PolarHBondContact O-N 2.94Å; L86-N88 VanDerWaalsContact O-N 3.12Å; L86-A89 WeakPolarHBondContact O-CB 3.28Å; L86-A89 PolarHBondContact O-N 3.44Å; L86-Q91 VanDerWaalsContact C-NE2 3.29Å; L86-Q91 PolarHBondContact O-NE2 3.48Å; L86-V226 WeakPolarHBondContact CB-O 3.09Å; L86-V226 HydrophobicContact CD1-CB 3.84Å; L86-V226 HydrophobicContact CD1-CG1 3.58Å; L86-V226 HydrophobicContact CG-CB 4.47Å; L86-V226 VanDerWaalsContact CG-O 3.31Å; L86-V226 WeakPolarHBondContact CG-O 3.37Å; L86-V226 PolarHBondContact N-O 3.05Å; L86-T228 HydrophobicContact CD1-CG2 4.3Å; L86-T228 HydrophobicContact CD2-CG2 3.42Å; L86-T228 VanDerWaalsContact CD2-CG2 3.42Å; L86-T228 HydrophobicContact CG-CG2 4.3Å; L86-W346 HydrophobicContact CB-CE3 4.32Å; L86-W346 HydrophobicContact CB-CH2 4.25Å; L86-W346 HydrophobicContact CB-CZ3 3.58Å; L86-W346 HydrophobicContact CD1-CH2 3.23Å; L86-W346 HydrophobicContact CD1-CZ2 4.32Å; L86-W346 HydrophobicContact CD1-CZ3 3.46Å; L86-W346 VanDerWaalsContact CD1-CZ3 3.46Å; L86-W346 HydrophobicContact CD2-CE3 4.48Å; L86-W346 HydrophobicContact CD2-CH2 3.74Å; L86-W346 HydrophobicContact CD2-CZ3 3.3Å; L86-W346 HydrophobicContact CG-CH2 3.86Å; L86-W346 HydrophobicContact CG-CZ3 3.54Å |
| 87 | R | 75.2 | Confident | 90 | Very high | 156 Ų | 156 | 56.3 Ų | 56.3 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -61 | -18.4 | 176 | 78.1 | -169.1 | -176.4 | 177 | 3.8 | 113.5 | P85 A89 D225 | P85-R87 VanDerWaalsContact C-N 3.28Å; P85-R87 HydrophobicContact CB-CG 4.26Å; P85-R87 PolarHBondContact O-N 3.31Å; R87-A89 VanDerWaalsContact C-N 3.26Å; R87-D225 WeakPolarHBondContact CD-OD1 3.48Å; R87-D225 IonicContact CZ-OD2 2.71Å; R87-D225 IonicContact NE-OD2 3.51Å; R87-D225 IonicContact NH1-OD2 2.69Å; R87-D225 PolarHBondContact NH1-OD2 2.83Å |
| 88 | N | 71.1 | Confident | 89.8 | Confident | 118 Ų | 118 | 53 Ų | 53 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -77.6 | -12.9 | 176.9 | -66.8 | 2.1 | 0 | 0 | 0 | 112.3 | P85 L86 | P85-N88 PolarHBondContact O-N 3.37Å; L86-N88 PolarHBondContact O-N 2.94Å; L86-N88 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 74.7 | Confident | 89.6 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -83.4 | 150.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L86 R87 Q91 W346 | L86-A89 WeakPolarHBondContact O-CB 3.28Å; L86-A89 PolarHBondContact O-N 3.44Å; R87-A89 VanDerWaalsContact C-N 3.26Å; A89-Q91 VanDerWaalsContact C-N 3.29Å; A89-Q91 HydrophobicContact CB-CG 4.39Å; A89-Q91 PolarHBondContact O-N 3.41Å; A89-W346 HydrophobicContact CB-CB 4.05Å; A89-W346 HydrophobicContact CB-CE3 3.99Å |
| 90 | D | 82.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 83.3 | 169.9 | -178.3 | 3.8 | 0 | 0 | 0 | 108.6 | R92 T112 K342 N344 Q345 W346 | D90-R92 IonicContact OD1-CZ 3.66Å; D90-R92 IonicContact OD1-NE 3.44Å; D90-R92 PolarHBondContact OD1-NE 2.87Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 PolarHBondContact OD1-NH2 3.08Å; D90-R92 IonicContact OD2-CZ 3.98Å; D90-R92 IonicContact OD2-NE 2.72Å; D90-R92 IonicContact OD2-NH2 2.79Å; D90-R92 PolarHBondContact OD2-NH2 2.7Å; D90-T112 WeakPolarHBondContact OD1-CG2 3.4Å; D90-K342 IonicContact OD2-NZ 3.24Å; D90-N344 PolarHBondContact N-O 2.66Å; D90-N344 VanDerWaalsContact N-O 3.1Å; D90-Q345 HydrophobicContact CB-CB 4.45Å; D90-Q345 WeakPolarHBondContact O-CA 3.46Å; D90-W346 PolarHBondContact O-N 3.14Å |
| 91 | Q | 86 | Confident | 89.3 | Confident | 99 Ų | 99 | 45.2 Ų | 45.2 | 46% | 0.463 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.8 | -173.6 | -65.3 | -176.8 | 12.7 | 0 | 0 | 112.5 | L86 A89 W346 | L86-Q91 VanDerWaalsContact C-NE2 3.29Å; L86-Q91 PolarHBondContact O-NE2 3.48Å; A89-Q91 VanDerWaalsContact C-N 3.29Å; A89-Q91 HydrophobicContact CB-CG 4.39Å; A89-Q91 PolarHBondContact O-N 3.41Å; Q91-W346 CarbonylContact C-O 3.56Å; Q91-W346 WeakPolarHBondContact CA-O 3.27Å |
| 92 | R | 91 | Very high | 89.3 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 3% | 0.034 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148 | -177.1 | -56.2 | -62.7 | 178.2 | 152.5 | 3.2 | 111.3 | D90 N106 V107 D109 T111 Q345 W346 A347 T348 | D90-R92 IonicContact OD1-CZ 3.66Å; D90-R92 IonicContact OD1-NE 3.44Å; D90-R92 PolarHBondContact OD1-NE 2.87Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 PolarHBondContact OD1-NH2 3.08Å; D90-R92 IonicContact OD2-CZ 3.98Å; D90-R92 IonicContact OD2-NE 2.72Å; D90-R92 IonicContact OD2-NH2 2.79Å; D90-R92 PolarHBondContact OD2-NH2 2.7Å; R92-N106 VanDerWaalsContact CA-OD1 3.3Å; R92-N106 WeakPolarHBondContact CA-OD1 3.37Å; R92-N106 WeakPolarHBondContact CB-OD1 3.48Å; R92-N106 WeakPolarHBondContact CD-O 3.41Å; R92-N106 PolarHBondContact NH1-O 3.42Å; R92-N106 VanDerWaalsContact NH1-O 3.14Å; R92-V107 HydrophobicContact CB-CG2 4.14Å; R92-D109 PolarHBondContact NH1-O 3.46Å; R92-D109 PolarHBondContact NH2-O 3.45Å; R92-T111 PolarHBondContact NH1-O 2.81Å; R92-Q345 HydrophobicContact CG-CG 3.73Å; R92-W346 PolarHBondContact N-O 2.89Å; R92-A347 HydrophobicContact CB-CB 4.4Å; R92-T348 PolarHBondContact O-N 3.33Å |
| 93 | L | 93.8 | Very high | 89.4 | Confident | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 133.5 | -176.3 | 179.9 | 65.4 | 0 | 0 | 0 | 109.6 | L95 F104 S105 N106 L194 T348 L350 | L93-L95 HydrophobicContact CD1-CD2 3.78Å; L93-L95 HydrophobicContact CD2-CD2 4.08Å; L93-L95 HydrophobicContact CD2-CG 4.32Å; L93-L95 HydrophobicContact CG-CD2 3.99Å; L93-L95 HydrophobicContact CG-CG 4.28Å; L93-F104 HydrophobicContact CB-CE1 4.33Å; L93-F104 HydrophobicContact CD2-CD1 4.39Å; L93-F104 HydrophobicContact CD2-CE1 4.13Å; L93-F104 HydrophobicContact CG-CD1 4.44Å; L93-F104 HydrophobicContact CG-CE1 4.32Å; L93-S105 WeakPolarHBondContact O-CA 3.47Å; L93-N106 PolarHBondContact N-OD1 3.29Å; L93-N106 PolarHBondContact O-N 3.45Å; L93-N106 VanDerWaalsContact O-N 3.12Å; L93-N106 PolarHBondContact O-OD1 3.1Å; L93-L194 HydrophobicContact CD2-CD2 3.7Å; L93-T348 WeakPolarHBondContact CA-O 3.23Å; L93-L350 HydrophobicContact CD1-CD1 3.8Å; L93-L350 HydrophobicContact CD1-CG 4Å |
| 94 | L | 96 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.4 | 164.2 | -173.1 | 151.1 | 0 | 0 | 0 | 107.8 | F96 P102 F104 V107 F334 L336 T348 F349 L350 | L94-F96 HydrophobicContact CD2-CB 3.76Å; L94-F96 HydrophobicContact CD2-CD1 3.89Å; L94-F96 HydrophobicContact CD2-CG 4.32Å; L94-P102 HydrophobicContact CD1-CB 4.19Å; L94-P102 HydrophobicContact CD2-CB 4.23Å; L94-P102 HydrophobicContact CG-CB 4.11Å; L94-F104 CarbonylContact C-O 3.55Å; L94-F104 WeakPolarHBondContact CA-O 3.29Å; L94-V107 HydrophobicContact CB-CG2 3.94Å; L94-V107 HydrophobicContact CD1-CG2 4.41Å; L94-F334 HydrophobicContact CD1-CB 4.06Å; L94-L336 HydrophobicContact CD1-CD1 3.92Å; L94-L336 HydrophobicContact CD1-CD2 4.08Å; L94-L336 HydrophobicContact CD1-CG 4.16Å; L94-T348 PolarHBondContact N-O 2.88Å; L94-F349 HydrophobicContact CB-CB 4.3Å; L94-F349 HydrophobicContact CB-CD1 3.45Å; L94-F349 VanDerWaalsContact CB-CD1 3.45Å; L94-F349 HydrophobicContact CB-CE1 3.88Å; L94-F349 HydrophobicContact CB-CG 3.93Å; L94-F349 HydrophobicContact CD1-CD1 4.41Å; L94-F349 HydrophobicContact CD1-CE1 4.26Å; L94-F349 HydrophobicContact CD1-CZ 4.31Å; L94-F349 HydrophobicContact CD2-CB 4.3Å; L94-F349 HydrophobicContact CD2-CG 4.28Å; L94-F349 HydrophobicContact CG-CD1 4.37Å; L94-F349 CarbonylContact O-C 3.59Å; L94-F349 VanDerWaalsContact O-CA 3.26Å; L94-F349 WeakPolarHBondContact O-CA 3.45Å; L94-L350 PolarHBondContact O-N 3.25Å |
| 95 | L | 97.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130 | 170.8 | -54.9 | 180 | 0 | 0 | 0 | 107.5 | L93 P102 V103 F104 Y123 E193 L194 L350 I352 | L93-L95 HydrophobicContact CD1-CD2 3.78Å; L93-L95 HydrophobicContact CD2-CD2 4.08Å; L93-L95 HydrophobicContact CD2-CG 4.32Å; L93-L95 HydrophobicContact CG-CD2 3.99Å; L93-L95 HydrophobicContact CG-CG 4.28Å; L95-P102 CarbonylContact O-C 3.53Å; L95-P102 WeakPolarHBondContact O-CA 3.31Å; L95-V103 HydrophobicContact CB-CG2 3.77Å; L95-V103 WeakPolarHBondContact O-CG2 3.47Å; L95-V103 PolarHBondContact O-N 3.45Å; L95-F104 HydrophobicContact CB-CB 4.12Å; L95-F104 HydrophobicContact CD1-CB 4.1Å; L95-F104 HydrophobicContact CD1-CD1 4.35Å; L95-F104 HydrophobicContact CD1-CG 4.44Å; L95-F104 HydrophobicContact CG-CB 4.18Å; L95-F104 HydrophobicContact CG-CD1 4.2Å; L95-F104 PolarHBondContact N-O 3.38Å; L95-F104 PolarHBondContact O-N 3.04Å; L95-Y123 WeakPolarHBondContact CD1-OH 3.3Å; L95-E193 HydrophobicContact CD1-CB 3.92Å; L95-L194 HydrophobicContact CD1-CD2 3.95Å; L95-L194 HydrophobicContact CD1-CG 4.43Å; L95-L194 HydrophobicContact CD2-CD2 4.45Å; L95-L350 CarbonylContact C-O 3.57Å; L95-L350 VanDerWaalsContact CA-O 3.3Å; L95-L350 WeakPolarHBondContact CA-O 3.46Å; L95-L350 HydrophobicContact CD2-CB 3.83Å; L95-L350 HydrophobicContact CD2-CD1 4.41Å; L95-L350 HydrophobicContact CD2-CG 4.48Å; L95-I352 HydrophobicContact CB-CG2 3.93Å |
| 96 | F | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.2 | -177.3 | 62.6 | -97.4 | 0 | 0 | 0 | 113.1 | L94 Y100 K101 F349 L350 P351 I352 Y355 V363 | L94-F96 HydrophobicContact CD2-CB 3.76Å; L94-F96 HydrophobicContact CD2-CD1 3.89Å; L94-F96 HydrophobicContact CD2-CG 4.32Å; F96-Y100 AromaticContact CD2-CD1 3.95Å; F96-Y100 HydrophobicContact CD2-CD1 3.95Å; F96-Y100 AromaticContact CE2-CD1 3.81Å; F96-Y100 HydrophobicContact CE2-CD1 3.81Å; F96-Y100 AromaticContact CE2-CE1 3.99Å; F96-Y100 HydrophobicContact CE2-CE1 3.99Å; F96-Y100 HydrophobicContact CG-CD1 4.42Å; F96-Y100 HydrophobicContact CZ-CD1 4.15Å; F96-Y100 HydrophobicContact CZ-CE1 4.23Å; F96-K101 CarbonylContact C-O 3.55Å; F96-K101 WeakPolarHBondContact CA-O 3.31Å; F96-K101 WeakPolarHBondContact CB-O 3.2Å; F96-F349 HydrophobicContact CD1-CB 4.01Å; F96-F349 HydrophobicContact CE1-CB 3.87Å; F96-L350 WeakPolarHBondContact CD1-O 3.42Å; F96-L350 PolarHBondContact N-O 3.41Å; F96-P351 HydrophobicContact CD2-CB 4.41Å; F96-P351 HydrophobicContact CE2-CB 3.72Å; F96-P351 HydrophobicContact CZ-CB 3.88Å; F96-P351 HydrophobicContact CZ-CG 4.41Å; F96-P351 CarbonylContact O-C 3.29Å; F96-P351 WeakPolarHBondContact O-CA 3.48Å; F96-I352 PolarHBondContact O-N 2.85Å; F96-Y355 HydrophobicContact CD2-CD2 4.05Å; F96-Y355 HydrophobicContact CD2-CE2 4.07Å; F96-Y355 HydrophobicContact CD2-CG 4.48Å; F96-Y355 HydrophobicContact CE2-CD1 4.19Å; F96-Y355 AromaticContact CE2-CD2 3.92Å; F96-Y355 HydrophobicContact CE2-CD2 3.92Å; F96-Y355 AromaticContact CE2-CE1 3.94Å; F96-Y355 HydrophobicContact CE2-CE1 3.94Å; F96-Y355 AromaticContact CE2-CE2 3.68Å; F96-Y355 HydrophobicContact CE2-CE2 3.68Å; F96-Y355 HydrophobicContact CE2-CG 4.16Å; F96-Y355 AromaticContact CE2-CZ 3.68Å; F96-V363 HydrophobicContact CZ-CG2 3.96Å |
| 97 | E | 95.4 | Very high | 90.5 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | trans | -105.6 | -159.3 | 171.5 | 70 | 179.4 | -167.4 | 0 | 0 | 110.7 | Y100 K101 V103 I352 Y355 | E97-Y100 PolarHBondContact O-N 2.9Å; E97-Y100 VanDerWaalsContact O-N 3.08Å; E97-K101 HydrophobicContact CG-CB 4.02Å; E97-K101 PolarHBondContact N-O 2.75Å; E97-V103 HydrophobicContact CB-CG1 3.97Å; E97-V103 HydrophobicContact CG-CG1 3.86Å; E97-V103 WeakPolarHBondContact OE2-CG1 3.44Å; E97-I352 HydrophobicContact CB-CD1 3.77Å; E97-I352 HydrophobicContact CB-CG1 3.98Å; E97-Y355 WeakPolarHBondContact O-CD2 3.37Å | ||
| 98 | E | 93.9 | Very high | 91.2 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -51.4 | 139.3 | 179.4 | -60.6 | 77.2 | -166 | 0 | 0 | 112.9 | Y100 S354 Y355 N358 | E98-Y100 PolarHBondContact O-N 3.06Å; E98-S354 WeakPolarHBondContact OE1-CB 3.28Å; E98-S354 PolarHBondContact OE1-OG 3.41Å; E98-S354 VanDerWaalsContact OE1-OG 3.13Å; E98-Y355 PolarHBondContact OE1-N 3.41Å; E98-N358 HydrophobicContact CG-CB 3.3Å; E98-N358 WeakPolarHBondContact OE1-CB 3.15Å; E98-N358 PolarHBondContact OE1-ND2 3.3Å |
| 99 | G | 93.2 | Very high | 92 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | 65.5 | 20.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K101 E359 | G99-K101 PolarHBondContact O-N 2.83Å; G99-E359 PolarHBondContact N-OE2 3.31Å; G99-E359 VanDerWaalsContact N-OE2 3.14Å |
| 100 | Y | 94.3 | Very high | 92.3 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | 65.1 | 17.4 | 176.9 | -56.4 | -88.1 | 0 | 0 | 0 | 114.8 | F96 E97 E98 L333 F334 Y355 V363 I366 L402 | F96-Y100 AromaticContact CD2-CD1 3.95Å; F96-Y100 HydrophobicContact CD2-CD1 3.95Å; F96-Y100 AromaticContact CE2-CD1 3.81Å; F96-Y100 HydrophobicContact CE2-CD1 3.81Å; F96-Y100 AromaticContact CE2-CE1 3.99Å; F96-Y100 HydrophobicContact CE2-CE1 3.99Å; F96-Y100 HydrophobicContact CG-CD1 4.42Å; F96-Y100 HydrophobicContact CZ-CD1 4.15Å; F96-Y100 HydrophobicContact CZ-CE1 4.23Å; E97-Y100 PolarHBondContact O-N 2.9Å; E97-Y100 VanDerWaalsContact O-N 3.08Å; E98-Y100 PolarHBondContact O-N 3.06Å; Y100-L333 WeakPolarHBondContact CB-O 3.47Å; Y100-L333 HydrophobicContact CD2-CD1 3.71Å; Y100-L333 HydrophobicContact CD2-CD2 4.18Å; Y100-L333 HydrophobicContact CD2-CG 4.08Å; Y100-L333 HydrophobicContact CG-CD1 4.13Å; Y100-L333 HydrophobicContact CG-CD2 4.19Å; Y100-L333 HydrophobicContact CG-CG 4.02Å; Y100-F334 HydrophobicContact CD1-CD1 4.49Å; Y100-F334 AromaticContact CD1-CE1 3.77Å; Y100-F334 HydrophobicContact CD1-CE1 3.77Å; Y100-F334 HydrophobicContact CG-CE1 4.15Å; Y100-Y355 HydrophobicContact CE1-CE2 4.35Å; Y100-Y355 WeakPolarHBondContact CE1-OH 3.47Å; Y100-Y355 PolarHBondContact OH-OH 3.3Å; Y100-V363 HydrophobicContact CE1-CG2 3.85Å; Y100-I366 HydrophobicContact CD1-CD1 4.32Å; Y100-I366 HydrophobicContact CE1-CD1 4.09Å; Y100-L402 HydrophobicContact CE2-CD1 3.92Å; Y100-L402 HydrophobicContact CE2-CD2 3.93Å; Y100-L402 HydrophobicContact CE2-CG 4.38Å; Y100-L402 VanDerWaalsContact OH-CD2 3.26Å; Y100-L402 WeakPolarHBondContact OH-CD2 3.41Å |
| 101 | K | 94.7 | Very high | 92.3 | Very high | 114 Ų | 114 | 41.9 Ų | 41.9 | 50% | 0.496 | 22% | 0.224 | S | C | . | . | trans | -65.2 | 128.6 | 177.8 | -68.6 | -178.6 | -179.3 | 178.4 | 0 | 110.9 | F96 E97 G99 V103 | F96-K101 CarbonylContact C-O 3.55Å; F96-K101 WeakPolarHBondContact CA-O 3.31Å; F96-K101 WeakPolarHBondContact CB-O 3.2Å; E97-K101 HydrophobicContact CG-CB 4.02Å; E97-K101 PolarHBondContact N-O 2.75Å; G99-K101 PolarHBondContact O-N 2.83Å; K101-V103 PolarHBondContact O-N 3.42Å | ||
| 102 | P | 95.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 40 Ų | 40 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.2 | -179.2 | 29.7 | -34.6 | 0 | 0 | 0 | 111.4 | L94 L95 F334 D335 | L94-P102 HydrophobicContact CD1-CB 4.19Å; L94-P102 HydrophobicContact CD2-CB 4.23Å; L94-P102 HydrophobicContact CG-CB 4.11Å; L95-P102 CarbonylContact O-C 3.53Å; L95-P102 WeakPolarHBondContact O-CA 3.31Å; P102-F334 WeakPolarHBondContact CD-O 3.04Å; P102-F334 WeakPolarHBondContact CG-O 3.39Å; P102-D335 HydrophobicContact CG-CB 3.91Å |
| 103 | V | 95.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 46 Ų | 46 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -21.7 | 167.7 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | L95 E97 K101 R122 I352 | L95-V103 HydrophobicContact CB-CG2 3.77Å; L95-V103 WeakPolarHBondContact O-CG2 3.47Å; L95-V103 PolarHBondContact O-N 3.45Å; E97-V103 HydrophobicContact CB-CG1 3.97Å; E97-V103 HydrophobicContact CG-CG1 3.86Å; E97-V103 WeakPolarHBondContact OE2-CG1 3.44Å; K101-V103 PolarHBondContact O-N 3.42Å; V103-R122 VanDerWaalsContact O-CZ 3.22Å; V103-R122 PolarHBondContact O-NH1 2.8Å; V103-R122 PolarHBondContact O-NH2 2.82Å; V103-I352 HydrophobicContact CG1-CD1 4Å; V103-I352 HydrophobicContact CG2-CD1 4.12Å; V103-I352 HydrophobicContact CG2-CG2 3.81Å |
| 104 | F | 95.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 139.7 | 173.2 | 172.3 | -88.2 | 0 | 0 | 0 | 108.8 | L93 L94 L95 H118 L119 | L93-F104 HydrophobicContact CB-CE1 4.33Å; L93-F104 HydrophobicContact CD2-CD1 4.39Å; L93-F104 HydrophobicContact CD2-CE1 4.13Å; L93-F104 HydrophobicContact CG-CD1 4.44Å; L93-F104 HydrophobicContact CG-CE1 4.32Å; L94-F104 CarbonylContact C-O 3.55Å; L94-F104 WeakPolarHBondContact CA-O 3.29Å; L95-F104 HydrophobicContact CB-CB 4.12Å; L95-F104 HydrophobicContact CD1-CB 4.1Å; L95-F104 HydrophobicContact CD1-CD1 4.35Å; L95-F104 HydrophobicContact CD1-CG 4.44Å; L95-F104 HydrophobicContact CG-CB 4.18Å; L95-F104 HydrophobicContact CG-CD1 4.2Å; L95-F104 PolarHBondContact N-O 3.38Å; L95-F104 PolarHBondContact O-N 3.04Å; F104-H118 HydrophobicContact CE2-CB 3.8Å; F104-H118 HydrophobicContact CZ-CB 4.24Å; F104-L119 HydrophobicContact CE1-CD2 3.91Å; F104-L119 HydrophobicContact CE2-CD2 3.88Å; F104-L119 HydrophobicContact CE2-CG 4.46Å; F104-L119 HydrophobicContact CZ-CD2 3.43Å; F104-L119 VanDerWaalsContact CZ-CD2 3.43Å; F104-L119 HydrophobicContact CZ-CG 3.97Å |
| 105 | S | 94.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 136.6 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 110 | L93 V107 | L93-S105 WeakPolarHBondContact O-CA 3.47Å; S105-V107 WeakPolarHBondContact OG-CB 3.37Å; S105-V107 WeakPolarHBondContact OG-CG2 3.38Å; S105-V107 PolarHBondContact OG-N 2.95Å |
| 106 | N | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -114.8 | 10.3 | 164.4 | 75 | -16.6 | 0 | 0 | 0 | 111.5 | R92 L93 T108 D109 T115 | R92-N106 VanDerWaalsContact CA-OD1 3.3Å; R92-N106 WeakPolarHBondContact CA-OD1 3.37Å; R92-N106 WeakPolarHBondContact CB-OD1 3.48Å; R92-N106 WeakPolarHBondContact CD-O 3.41Å; R92-N106 PolarHBondContact NH1-O 3.42Å; R92-N106 VanDerWaalsContact NH1-O 3.14Å; L93-N106 PolarHBondContact N-OD1 3.29Å; L93-N106 PolarHBondContact O-N 3.45Å; L93-N106 VanDerWaalsContact O-N 3.12Å; L93-N106 PolarHBondContact O-OD1 3.1Å; N106-T108 PolarHBondContact O-N 3.27Å; N106-D109 HydrophobicContact CB-CB 4.43Å; N106-D109 VanDerWaalsContact CB-OD2 3.3Å; N106-D109 WeakPolarHBondContact CB-OD2 3.21Å; N106-D109 WeakPolarHBondContact O-CB 3.45Å; N106-D109 PolarHBondContact O-N 3.42Å; N106-T115 WeakPolarHBondContact ND2-CG2 3.31Å; N106-T115 PolarHBondContact ND2-OG1 3.35Å | ||
| 107 | V | 91.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.4 | -172.3 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | R92 L94 S105 L336 L338 L341 Q345 F349 | R92-V107 HydrophobicContact CB-CG2 4.14Å; L94-V107 HydrophobicContact CB-CG2 3.94Å; L94-V107 HydrophobicContact CD1-CG2 4.41Å; S105-V107 WeakPolarHBondContact OG-CB 3.37Å; S105-V107 WeakPolarHBondContact OG-CG2 3.38Å; S105-V107 PolarHBondContact OG-N 2.95Å; V107-L336 HydrophobicContact CB-CD1 4.31Å; V107-L336 HydrophobicContact CG1-CD1 3.93Å; V107-L338 HydrophobicContact CG1-CD1 4.4Å; V107-L341 HydrophobicContact CG1-CD2 3.51Å; V107-Q345 PolarHBondContact O-NE2 2.88Å; V107-F349 HydrophobicContact CG1-CE1 4.5Å; V107-F349 HydrophobicContact CG2-CE1 3.78Å |
| 108 | T | 89.3 | Confident | 89.7 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.3 | 178.8 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | N106 Q110 L336 L338 | N106-T108 PolarHBondContact O-N 3.27Å; T108-Q110 PolarHBondContact O-N 2.89Å; T108-L336 HydrophobicContact CG2-CD2 4.2Å; T108-L338 HydrophobicContact CG2-CD1 3.67Å; T108-L338 HydrophobicContact CG2-CD2 4.21Å; T108-L338 HydrophobicContact CG2-CG 3.93Å |
| 109 | D | 88.1 | Confident | 89.6 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | trans | -64.5 | 131.4 | -177.9 | -72.4 | -5.6 | 0 | 0 | 0 | 110.2 | R92 N106 T111 H118 | R92-D109 PolarHBondContact NH1-O 3.46Å; R92-D109 PolarHBondContact NH2-O 3.45Å; N106-D109 HydrophobicContact CB-CB 4.43Å; N106-D109 VanDerWaalsContact CB-OD2 3.3Å; N106-D109 WeakPolarHBondContact CB-OD2 3.21Å; N106-D109 WeakPolarHBondContact O-CB 3.45Å; N106-D109 PolarHBondContact O-N 3.42Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-H118 IonicContact OD1-CE1 2.8Å; D109-H118 IonicContact OD2-CE1 3.49Å; D109-H118 PolarHBondContact OD2-CE1 2.77Å; D109-H118 IonicContact OD2-ND1 3.71Å; D109-H118 PolarHBondContact OD2-ND1 2.7Å | ||
| 110 | Q | 82 | Confident | 89.6 | Confident | 180 Ų | 180 | 58.9 Ų | 58.9 | 84% | 0.841 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -59.2 | -35.3 | -177.7 | -66 | -176.4 | -4.7 | 0 | 0 | 112.3 | T108 K342 | T108-Q110 PolarHBondContact O-N 2.89Å; Q110-K342 PolarHBondContact O-NZ 3.14Å |
| 111 | T | 82.7 | Confident | 89.6 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | trans | -130.2 | 145 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | R92 D109 L113 L114 | R92-T111 PolarHBondContact NH1-O 2.81Å; D109-T111 PolarHBondContact O-N 3.26Å; T111-L113 HydrophobicContact CG2-CB 4.2Å; T111-L113 PolarHBondContact O-N 2.91Å; T111-L113 WeakPolarHBondContact OG1-CG 3.48Å; T111-L113 PolarHBondContact OG1-N 3.2Å; T111-L114 HydrophobicContact CG2-CD1 4.06Å; T111-L114 HydrophobicContact CG2-CG 3.81Å | ||
| 112 | T | 80.6 | Confident | 89.6 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -68.7 | -19 | 173.7 | 50 | 0 | 0 | 0 | 0 | 112.5 | D90 L114 T115 | D90-T112 WeakPolarHBondContact OD1-CG2 3.4Å; T112-L114 PolarHBondContact O-N 2.77Å; T112-T115 VanDerWaalsContact O-CB 3.23Å; T112-T115 WeakPolarHBondContact O-CB 3.41Å; T112-T115 PolarHBondContact O-N 3.18Å; T112-T115 PolarHBondContact O-OG1 2.83Å |
| 113 | L | 82.6 | Confident | 89.6 | Confident | 135 Ų | 135 | 65.8 Ų | 65.8 | 71% | 0.707 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -63.6 | -21.9 | -178.6 | -62.6 | 177.2 | 0 | 0 | 0 | 113.6 | T111 P116 | T111-L113 HydrophobicContact CG2-CB 4.2Å; T111-L113 PolarHBondContact O-N 2.91Å; T111-L113 WeakPolarHBondContact OG1-CG 3.48Å; T111-L113 PolarHBondContact OG1-N 3.2Å; L113-P116 WeakPolarHBondContact O-CD 3.48Å |
| 114 | L | 85.6 | Confident | 89.5 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -80.2 | -19.9 | 175.6 | -65.5 | 175.9 | 0 | 0 | 0 | 112.7 | T111 T112 V117 H118 | T111-L114 HydrophobicContact CG2-CD1 4.06Å; T111-L114 HydrophobicContact CG2-CG 3.81Å; T112-L114 PolarHBondContact O-N 2.77Å; L114-V117 WeakPolarHBondContact O-CA 3.49Å; L114-V117 WeakPolarHBondContact O-CB 3.28Å; L114-V117 PolarHBondContact O-N 3.24Å; L114-H118 PolarHBondContact O-N 2.74Å |
| 115 | T | 86.1 | Confident | 89.5 | Confident | 22 Ų | 22 | 72 Ų | 72 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57 | -50.5 | -176.5 | -49.1 | 0 | 0 | 0 | 0 | 112.6 | N106 T112 V117 H118 L119 | N106-T115 WeakPolarHBondContact ND2-CG2 3.31Å; N106-T115 PolarHBondContact ND2-OG1 3.35Å; T112-T115 VanDerWaalsContact O-CB 3.23Å; T112-T115 WeakPolarHBondContact O-CB 3.41Å; T112-T115 PolarHBondContact O-N 3.18Å; T112-T115 PolarHBondContact O-OG1 2.83Å; T115-V117 PolarHBondContact O-N 3.03Å; T115-H118 PolarHBondContact O-N 3.48Å; T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.23Å; T115-L119 WeakPolarHBondContact O-CB 3.14Å; T115-L119 VanDerWaalsContact O-CG 3.29Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 3.11Å |
| 116 | P | 85.9 | Confident | 89.6 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -32.7 | 178.7 | -21.9 | 35.2 | 0 | 0 | 0 | 112.5 | L113 L120 | L113-P116 WeakPolarHBondContact O-CD 3.48Å; P116-L120 WeakPolarHBondContact O-CB 3.33Å; P116-L120 PolarHBondContact O-N 3.39Å |
| 117 | V | 89.4 | Confident | 89.7 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 53% | 0.527 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.7 | -48.7 | 177.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | L114 T115 L119 L120 W121 | L114-V117 WeakPolarHBondContact O-CA 3.49Å; L114-V117 WeakPolarHBondContact O-CB 3.28Å; L114-V117 PolarHBondContact O-N 3.24Å; T115-V117 PolarHBondContact O-N 3.03Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.11Å; V117-L120 PolarHBondContact O-N 2.84Å; V117-W121 WeakPolarHBondContact O-CB 3.35Å; V117-W121 PolarHBondContact O-N 2.86Å |
| 118 | H | 90.8 | Very high | 89.8 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.4 | -65.6 | 158.4 | 0 | 0 | 0 | 112.1 | F104 D109 L114 T115 W121 R122 | F104-H118 HydrophobicContact CE2-CB 3.8Å; F104-H118 HydrophobicContact CZ-CB 4.24Å; D109-H118 IonicContact OD1-CE1 2.8Å; D109-H118 IonicContact OD2-CE1 3.49Å; D109-H118 PolarHBondContact OD2-CE1 2.77Å; D109-H118 IonicContact OD2-ND1 3.71Å; D109-H118 PolarHBondContact OD2-ND1 2.7Å; L114-H118 PolarHBondContact O-N 2.74Å; T115-H118 PolarHBondContact O-N 3.48Å; H118-W121 PolarHBondContact O-N 2.95Å; H118-R122 WeakPolarHBondContact O-CB 3.42Å; H118-R122 PolarHBondContact O-N 2.95Å |
| 119 | L | 92.6 | Very high | 90.2 | Very high | 29 Ų | 29 | 79.2 Ų | 79.2 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.6 | -66.9 | 174.7 | 0 | 0 | 0 | 111.6 | F104 T115 V117 W121 R122 Y123 L127 | F104-L119 HydrophobicContact CE1-CD2 3.91Å; F104-L119 HydrophobicContact CE2-CD2 3.88Å; F104-L119 HydrophobicContact CE2-CG 4.46Å; F104-L119 HydrophobicContact CZ-CD2 3.43Å; F104-L119 VanDerWaalsContact CZ-CD2 3.43Å; F104-L119 HydrophobicContact CZ-CG 3.97Å; T115-L119 HydrophobicContact CG2-CD1 3.87Å; T115-L119 HydrophobicContact CG2-CG 4.23Å; T115-L119 WeakPolarHBondContact O-CB 3.14Å; T115-L119 VanDerWaalsContact O-CG 3.29Å; T115-L119 WeakPolarHBondContact O-CG 3.49Å; T115-L119 PolarHBondContact O-N 3.11Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.11Å; L119-W121 VanDerWaalsContact C-N 3.34Å; L119-R122 PolarHBondContact O-N 3.22Å; L119-Y123 HydrophobicContact CB-CD2 4.35Å; L119-Y123 HydrophobicContact CD2-CD2 4.22Å; L119-Y123 HydrophobicContact CD2-CE2 3.69Å; L119-Y123 WeakPolarHBondContact O-CB 3.2Å; L119-Y123 WeakPolarHBondContact O-CD2 3.48Å; L119-Y123 PolarHBondContact O-N 3.09Å; L119-L127 HydrophobicContact CB-CD2 3.79Å |
| 120 | L | 92.5 | Very high | 90.6 | Very high | 93 Ų | 93 | 78.1 Ų | 78.1 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.3 | -176.3 | 64.8 | 0 | 0 | 0 | 111.5 | P116 V117 G124 L127 | P116-L120 WeakPolarHBondContact O-CB 3.33Å; P116-L120 PolarHBondContact O-N 3.39Å; V117-L120 PolarHBondContact O-N 2.84Å; L120-G124 WeakPolarHBondContact O-CA 3.45Å; L120-G124 PolarHBondContact O-N 3.32Å; L120-L127 HydrophobicContact CB-CD2 4.45Å |
| 121 | W | 93.3 | Very high | 91.3 | Very high | 235 Ų | 235 | 74.9 Ų | 74.9 | 89% | 0.89 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 175.1 | -176 | -88.1 | 0 | 0 | 0 | 111.7 | V117 H118 L119 | V117-W121 WeakPolarHBondContact O-CB 3.35Å; V117-W121 PolarHBondContact O-N 2.86Å; H118-W121 PolarHBondContact O-N 2.95Å; L119-W121 VanDerWaalsContact C-N 3.34Å |
| 122 | R | 94.6 | Very high | 91.9 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 28% | 0.275 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.7 | -40.6 | -176.9 | -171.8 | 169.6 | -174.9 | 89.4 | 3 | 113.6 | V103 H118 L119 E193 | V103-R122 VanDerWaalsContact O-CZ 3.22Å; V103-R122 PolarHBondContact O-NH1 2.8Å; V103-R122 PolarHBondContact O-NH2 2.82Å; H118-R122 WeakPolarHBondContact O-CB 3.42Å; H118-R122 PolarHBondContact O-N 2.95Å; L119-R122 PolarHBondContact O-N 3.22Å; R122-E193 IonicContact CZ-OE1 2.91Å; R122-E193 IonicContact CZ-OE2 3.79Å; R122-E193 IonicContact NE-OE1 3.72Å; R122-E193 IonicContact NE-OE2 2.95Å; R122-E193 PolarHBondContact NE-OE2 3.19Å; R122-E193 IonicContact NH2-OE1 3.15Å; R122-E193 PolarHBondContact NH2-OE1 2.96Å; R122-E193 IonicContact NH2-OE2 3.01Å; R122-E193 PolarHBondContact NH2-OE2 3.39Å |
| 123 | Y | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 76 Ų | 76 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -108.1 | -12.2 | -172.2 | -55.7 | -62.1 | 0 | 0 | 0 | 114 | L95 L119 S126 N187 N189 Y190 E193 L194 | L95-Y123 WeakPolarHBondContact CD1-OH 3.3Å; L119-Y123 HydrophobicContact CB-CD2 4.35Å; L119-Y123 HydrophobicContact CD2-CD2 4.22Å; L119-Y123 HydrophobicContact CD2-CE2 3.69Å; L119-Y123 WeakPolarHBondContact O-CB 3.2Å; L119-Y123 WeakPolarHBondContact O-CD2 3.48Å; L119-Y123 PolarHBondContact O-N 3.09Å; Y123-S126 VanDerWaalsContact O-CB 3.22Å; Y123-S126 WeakPolarHBondContact O-CB 3.48Å; Y123-S126 PolarHBondContact O-N 3.09Å; Y123-S126 PolarHBondContact O-OG 3.12Å; Y123-N187 PolarHBondContact O-ND2 3.18Å; Y123-N189 HydrophobicContact CD1-CB 4.31Å; Y123-N189 HydrophobicContact CE1-CB 4.4Å; Y123-Y190 HydrophobicContact CD1-CD2 4.2Å; Y123-Y190 HydrophobicContact CG-CD2 4.04Å; Y123-E193 HydrophobicContact CE1-CB 4.35Å; Y123-E193 PolarHBondContact OH-OE2 3.1Å; Y123-L194 HydrophobicContact CD2-CD1 3.59Å; Y123-L194 HydrophobicContact CD2-CG 4.38Å; Y123-L194 HydrophobicContact CE1-CD1 4.36Å; Y123-L194 HydrophobicContact CE1-CG 4.24Å; Y123-L194 HydrophobicContact CE2-CD1 3.28Å; Y123-L194 HydrophobicContact CE2-CD2 4.34Å; Y123-L194 HydrophobicContact CE2-CG 3.65Å; Y123-L194 HydrophobicContact CG-CD1 4.28Å |
| 124 | G | 94.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 69.8 Ų | 69.8 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | -143.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L120 S126 L127 | L120-G124 WeakPolarHBondContact O-CA 3.45Å; L120-G124 PolarHBondContact O-N 3.32Å; G124-S126 PolarHBondContact O-N 2.94Å; G124-S126 VanDerWaalsContact O-N 3.07Å; G124-L127 PolarHBondContact O-N 3.05Å; G124-L127 VanDerWaalsContact O-N 3.14Å |
| 125 | F | 94.6 | Very high | 93.9 | Very high | 153 Ų | 153 | 70.5 Ų | 70.5 | 67% | 0.671 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -16.6 | 179 | -71.3 | -75.9 | 0 | 0 | 0 | 114.3 | L127 L128 R129 | F125-L127 PolarHBondContact O-N 3.41Å; F125-L128 PolarHBondContact O-N 3.05Å; F125-R129 WeakPolarHBondContact O-CG 3.12Å; F125-R129 PolarHBondContact O-N 2.91Å |
| 126 | S | 96.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Y123 G124 L128 R129 A130 L186 N187 | Y123-S126 VanDerWaalsContact O-CB 3.22Å; Y123-S126 WeakPolarHBondContact O-CB 3.48Å; Y123-S126 PolarHBondContact O-N 3.09Å; Y123-S126 PolarHBondContact O-OG 3.12Å; G124-S126 PolarHBondContact O-N 2.94Å; G124-S126 VanDerWaalsContact O-N 3.07Å; S126-L128 PolarHBondContact O-N 3.12Å; S126-R129 PolarHBondContact O-N 3.46Å; S126-A130 VanDerWaalsContact O-CB 3.25Å; S126-A130 WeakPolarHBondContact O-CB 3.18Å; S126-A130 PolarHBondContact O-N 3.06Å; S126-L186 WeakPolarHBondContact O-CD2 3.14Å; S126-N187 PolarHBondContact OG-N 3.33Å; S126-N187 VanDerWaalsContact OG-N 3.12Å; S126-N187 PolarHBondContact OG-ND2 3.48Å |
| 127 | L | 94.4 | Very high | 94.9 | Very high | 43 Ų | 43 | 69.3 Ų | 69.3 | 23% | 0.225 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 178 | -172.8 | 66.5 | 0 | 0 | 0 | 111.7 | L119 L120 G124 F125 R131 Y190 | L119-L127 HydrophobicContact CB-CD2 3.79Å; L120-L127 HydrophobicContact CB-CD2 4.45Å; G124-L127 PolarHBondContact O-N 3.05Å; G124-L127 VanDerWaalsContact O-N 3.14Å; F125-L127 PolarHBondContact O-N 3.41Å; L127-R131 WeakPolarHBondContact O-CB 3.17Å; L127-R131 PolarHBondContact O-N 3.24Å; L127-Y190 HydrophobicContact CD1-CE2 4.27Å |
| 128 | L | 94.1 | Very high | 95.2 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69 | -43.5 | 178.1 | -179.2 | 60.8 | 0 | 0 | 0 | 111.7 | F125 S126 R131 L132 | F125-L128 PolarHBondContact O-N 3.05Å; S126-L128 PolarHBondContact O-N 3.12Å; L128-R131 PolarHBondContact O-N 3.25Å; L128-L132 HydrophobicContact CD1-CD1 4.15Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 4.07Å; L128-L132 HydrophobicContact CG-CG 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.89Å |
| 129 | R | 96.9 | Very high | 95.5 | Very high | 131 Ų | 131 | 72 Ų | 72 | 49% | 0.494 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 176.7 | -73.9 | -178.4 | -171.5 | 150.4 | 4.2 | 111.4 | F125 S126 R131 L132 Y133 G185 L186 | F125-R129 WeakPolarHBondContact O-CG 3.12Å; F125-R129 PolarHBondContact O-N 2.91Å; S126-R129 PolarHBondContact O-N 3.46Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.84Å; R129-L132 PolarHBondContact O-N 3.43Å; R129-Y133 WeakPolarHBondContact O-CB 3.37Å; R129-Y133 PolarHBondContact O-N 3.25Å; R129-G185 PolarHBondContact NH1-O 3.01Å; R129-L186 HydrophobicContact CB-CD2 3.96Å |
| 130 | A | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | S126 Y133 L134 L186 Y190 | S126-A130 VanDerWaalsContact O-CB 3.25Å; S126-A130 WeakPolarHBondContact O-CB 3.18Å; S126-A130 PolarHBondContact O-N 3.06Å; A130-Y133 PolarHBondContact O-N 2.83Å; A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 WeakPolarHBondContact O-CG 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å; A130-L186 HydrophobicContact CB-CD1 4.02Å; A130-L186 HydrophobicContact CB-CD2 4.05Å; A130-Y190 HydrophobicContact CB-CE1 4.17Å; A130-Y190 HydrophobicContact CB-CE2 4.03Å; A130-Y190 WeakPolarHBondContact CB-OH 3.05Å |
| 131 | R | 95.2 | Very high | 96 | Very high | 113 Ų | 113 | 69.2 Ų | 69.2 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | 178.2 | 177.7 | 172 | 174.7 | 79.5 | 5.4 | 112.6 | L127 L128 R129 Y133 L134 M135 V223 | L127-R131 WeakPolarHBondContact O-CB 3.17Å; L127-R131 PolarHBondContact O-N 3.24Å; L128-R131 PolarHBondContact O-N 3.25Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.84Å; R131-Y133 VanDerWaalsContact C-N 3.33Å; R131-Y133 PolarHBondContact O-N 2.95Å; R131-L134 PolarHBondContact O-N 2.85Å; R131-M135 HydrophobicContact CG-SD 4.17Å; R131-M135 WeakPolarHBondContact O-CG 3.4Å; R131-M135 PolarHBondContact O-N 3.45Å; R131-V223 HydrophobicContact CB-CG1 4.1Å; R131-V223 HydrophobicContact CG-CB 4.49Å; R131-V223 HydrophobicContact CG-CG1 3.84Å; R131-V223 PolarHBondContact NH1-O 3.18Å; R131-V223 VanDerWaalsContact NH1-O 3.14Å |
| 132 | L | 96.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 56% | 0.56 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 179.8 | -68.7 | 174.5 | 0 | 0 | 0 | 111.6 | L128 R129 A136 | L128-L132 HydrophobicContact CD1-CD1 4.15Å; L128-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 HydrophobicContact CG-CD1 4.07Å; L128-L132 HydrophobicContact CG-CG 4.46Å; L128-L132 WeakPolarHBondContact O-CG 3.37Å; L128-L132 PolarHBondContact O-N 2.89Å; R129-L132 PolarHBondContact O-N 3.43Å; L132-A136 PolarHBondContact O-N 3.47Å |
| 133 | Y | 97.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 176.9 | -176.1 | -88.2 | 0 | 0 | 0 | 111.7 | R129 A130 R131 M135 A136 R137 M171 W179 I184 V216 | R129-Y133 WeakPolarHBondContact O-CB 3.37Å; R129-Y133 PolarHBondContact O-N 3.25Å; A130-Y133 PolarHBondContact O-N 2.83Å; R131-Y133 VanDerWaalsContact C-N 3.33Å; R131-Y133 PolarHBondContact O-N 2.95Å; Y133-M135 PolarHBondContact O-N 3.27Å; Y133-A136 PolarHBondContact O-N 3.29Å; Y133-R137 HydrophobicContact CD1-CG 3.98Å; Y133-R137 HydrophobicContact CE1-CG 3.49Å; Y133-R137 VanDerWaalsContact CE1-CG 3.49Å; Y133-R137 WeakPolarHBondContact O-CG 3.28Å; Y133-R137 PolarHBondContact O-N 3Å; Y133-R137 PolarHBondContact OH-NH1 3.48Å; Y133-M171 WeakPolarHBondContact OH-CE 3.31Å; Y133-W179 AromaticContact CE1-NE1 3.98Å; Y133-W179 AromaticContact CZ-NE1 3.48Å; Y133-W179 VanDerWaalsContact OH-CZ2 3.27Å; Y133-W179 WeakPolarHBondContact OH-CZ2 3.2Å; Y133-W179 PolarHBondContact OH-NE1 2.92Å; Y133-I184 HydrophobicContact CD1-CD1 3.54Å; Y133-I184 HydrophobicContact CD1-CG1 3.94Å; Y133-I184 HydrophobicContact CD1-CG2 4.43Å; Y133-I184 HydrophobicContact CD2-CG1 4Å; Y133-I184 HydrophobicContact CD2-CG2 4.19Å; Y133-I184 HydrophobicContact CE1-CD1 3.59Å; Y133-I184 HydrophobicContact CE1-CG1 3.88Å; Y133-I184 HydrophobicContact CE2-CG1 3.95Å; Y133-I184 HydrophobicContact CG-CD1 4.06Å; Y133-I184 HydrophobicContact CG-CG1 4.02Å; Y133-I184 HydrophobicContact CG-CG2 3.94Å; Y133-V216 HydrophobicContact CE1-CG2 4.27Å |
| 134 | L | 96.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | -179.9 | -71.8 | 168.7 | 0 | 0 | 0 | 111.6 | A130 R131 A136 R137 I138 V216 V223 | A130-L134 WeakPolarHBondContact O-CB 3.42Å; A130-L134 WeakPolarHBondContact O-CG 3.43Å; A130-L134 PolarHBondContact O-N 2.95Å; R131-L134 PolarHBondContact O-N 2.85Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.93Å; L134-R137 PolarHBondContact O-N 2.88Å; L134-I138 WeakPolarHBondContact O-CB 3.21Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.4Å; L134-V216 HydrophobicContact CD2-CG1 4.1Å; L134-V223 HydrophobicContact CB-CG1 4.03Å; L134-V223 HydrophobicContact CB-CG2 4.04Å; L134-V223 HydrophobicContact CD1-CG1 3.86Å |
| 135 | M | 96 | Very high | 96.6 | Very high | 90 Ų | 90 | 61 Ų | 61 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 177.5 | -71.2 | -179.8 | 73.7 | 0 | 0 | 112.4 | R131 Y133 R139 V223 | R131-M135 HydrophobicContact CG-SD 4.17Å; R131-M135 WeakPolarHBondContact O-CG 3.4Å; R131-M135 PolarHBondContact O-N 3.45Å; Y133-M135 PolarHBondContact O-N 3.27Å; M135-R139 PolarHBondContact O-N 2.94Å; M135-R139 VanDerWaalsContact O-N 3.11Å; M135-V223 HydrophobicContact CG-CB 4.28Å; M135-V223 HydrophobicContact CG-CG2 4.28Å |
| 136 | A | 96.7 | Very high | 96.7 | Very high | 44 Ų | 44 | 56 Ų | 56 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L132 Y133 L134 R139 E140 | L132-A136 PolarHBondContact O-N 3.47Å; Y133-A136 PolarHBondContact O-N 3.29Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.93Å; A136-R139 PolarHBondContact O-N 3.42Å; A136-E140 PolarHBondContact O-N 2.95Å |
| 137 | R | 97.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -37.4 | 178.6 | -63.7 | -62.8 | 92.5 | 98.5 | -6.8 | 112.6 | Y133 L134 R139 E140 F141 F168 M171 V216 | Y133-R137 HydrophobicContact CD1-CG 3.98Å; Y133-R137 HydrophobicContact CE1-CG 3.49Å; Y133-R137 VanDerWaalsContact CE1-CG 3.49Å; Y133-R137 WeakPolarHBondContact O-CG 3.28Å; Y133-R137 PolarHBondContact O-N 3Å; Y133-R137 PolarHBondContact OH-NH1 3.48Å; L134-R137 PolarHBondContact O-N 2.88Å; R137-R139 VanDerWaalsContact C-N 3.34Å; R137-E140 IonicContact CZ-OE1 2.88Å; R137-E140 IonicContact CZ-OE2 2.85Å; R137-E140 IonicContact NE-OE1 3.17Å; R137-E140 PolarHBondContact NE-OE1 3.02Å; R137-E140 IonicContact NE-OE2 2.68Å; R137-E140 PolarHBondContact NE-OE2 3.4Å; R137-E140 IonicContact NH2-OE1 2.89Å; R137-E140 PolarHBondContact NH2-OE1 3.2Å; R137-E140 IonicContact NH2-OE2 2.76Å; R137-E140 PolarHBondContact NH2-OE2 2.87Å; R137-E140 PolarHBondContact O-N 2.96Å; R137-F141 WeakPolarHBondContact O-CB 3.26Å; R137-F141 PolarHBondContact O-N 3.4Å; R137-F168 HydrophobicContact CB-CE1 4.39Å; R137-M171 VanDerWaalsContact CD-CE 3.48Å; R137-M171 HydrophobicContact CG-CE 4.19Å; R137-V216 HydrophobicContact CB-CG1 4.13Å; R137-V216 HydrophobicContact CG-CG1 4.42Å |
| 138 | I | 96 | Very high | 96.9 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.138 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 172.2 | -70.3 | 164.1 | 0 | 0 | 0 | 109.8 | L134 E140 F141 T142 A220 V223 | L134-I138 WeakPolarHBondContact O-CB 3.21Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.47Å; L134-I138 PolarHBondContact O-N 3.4Å; I138-E140 VanDerWaalsContact C-N 3.34Å; I138-E140 PolarHBondContact O-N 3.11Å; I138-F141 PolarHBondContact O-N 3.18Å; I138-F141 VanDerWaalsContact O-N 3.12Å; I138-T142 HydrophobicContact CG2-CG2 4.44Å; I138-T142 WeakPolarHBondContact O-CG2 3.38Å; I138-T142 PolarHBondContact O-N 3.02Å; I138-A220 HydrophobicContact CD1-CB 3.85Å; I138-A220 HydrophobicContact CG1-CB 4.07Å; I138-V223 HydrophobicContact CD1-CG2 3.44Å; I138-V223 VanDerWaalsContact CD1-CG2 3.44Å |
| 139 | R | 96.4 | Very high | 97.1 | Very high | 186 Ų | 186 | 56.4 Ų | 56.4 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.6 | -40.3 | 177.9 | -178.3 | -179.1 | 176.4 | -178 | 0.1 | 112.9 | M135 A136 R137 F141 T142 | M135-R139 PolarHBondContact O-N 2.94Å; M135-R139 VanDerWaalsContact O-N 3.11Å; A136-R139 PolarHBondContact O-N 3.42Å; R137-R139 VanDerWaalsContact C-N 3.34Å; R139-F141 VanDerWaalsContact C-N 3.34Å; R139-T142 PolarHBondContact O-OG1 2.82Å |
| 140 | E | 97.4 | Very high | 97 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 174.2 | -72 | 171.6 | -177.7 | 0 | 0 | 111.3 | A136 R137 I138 T142 H143 S165 F168 | A136-E140 PolarHBondContact O-N 2.95Å; R137-E140 IonicContact CZ-OE1 2.88Å; R137-E140 IonicContact CZ-OE2 2.85Å; R137-E140 IonicContact NE-OE1 3.17Å; R137-E140 PolarHBondContact NE-OE1 3.02Å; R137-E140 IonicContact NE-OE2 2.68Å; R137-E140 PolarHBondContact NE-OE2 3.4Å; R137-E140 IonicContact NH2-OE1 2.89Å; R137-E140 PolarHBondContact NH2-OE1 3.2Å; R137-E140 IonicContact NH2-OE2 2.76Å; R137-E140 PolarHBondContact NH2-OE2 2.87Å; R137-E140 PolarHBondContact O-N 2.96Å; I138-E140 VanDerWaalsContact C-N 3.34Å; I138-E140 PolarHBondContact O-N 3.11Å; E140-T142 PolarHBondContact O-N 2.78Å; E140-H143 WeakPolarHBondContact O-CB 3.31Å; E140-H143 PolarHBondContact O-N 2.98Å; E140-S165 VanDerWaalsContact OE2-CB 3.31Å; E140-S165 WeakPolarHBondContact OE2-CB 3.3Å; E140-S165 PolarHBondContact OE2-OG 3.3Å; E140-F168 HydrophobicContact CB-CE2 4.43Å; E140-F168 HydrophobicContact CB-CZ 3.91Å |
| 141 | F | 97.2 | Very high | 97 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | -179.6 | -170.3 | -92.9 | 0 | 0 | 0 | 112.6 | R137 I138 R139 H143 I144 L164 F168 F213 I217 M459 I462 | R137-F141 WeakPolarHBondContact O-CB 3.26Å; R137-F141 PolarHBondContact O-N 3.4Å; I138-F141 PolarHBondContact O-N 3.18Å; I138-F141 VanDerWaalsContact O-N 3.12Å; R139-F141 VanDerWaalsContact C-N 3.34Å; F141-H143 PolarHBondContact O-N 3.06Å; F141-I144 HydrophobicContact CE1-CG2 4.29Å; F141-I144 WeakPolarHBondContact O-CB 3.47Å; F141-I144 WeakPolarHBondContact O-CG2 3.29Å; F141-I144 PolarHBondContact O-N 3.34Å; F141-I144 VanDerWaalsContact O-N 3.09Å; F141-L164 HydrophobicContact CD2-CD1 3.98Å; F141-L164 HydrophobicContact CE2-CD1 4.09Å; F141-F168 HydrophobicContact CB-CE2 4.2Å; F141-F168 HydrophobicContact CB-CZ 4.06Å; F141-F168 HydrophobicContact CD2-CE2 4.02Å; F141-F168 HydrophobicContact CD2-CZ 4.43Å; F141-F213 HydrophobicContact CD2-CZ 4.05Å; F141-F213 AromaticContact CE2-CZ 3.92Å; F141-F213 HydrophobicContact CE2-CZ 3.92Å; F141-I217 HydrophobicContact CD2-CD1 4.33Å; F141-I217 HydrophobicContact CE2-CD1 4.47Å; F141-M459 HydrophobicContact CE1-SD 4.21Å; F141-M459 HydrophobicContact CE2-CE 4.35Å; F141-M459 HydrophobicContact CE2-SD 3.97Å; F141-M459 HydrophobicContact CZ-CE 4.24Å; F141-M459 HydrophobicContact CZ-SD 3.34Å; F141-M459 WeakPolarHBondContact CZ-SD 3.46Å; F141-I462 HydrophobicContact CE1-CD1 3.81Å; F141-I462 HydrophobicContact CZ-CD1 3.76Å |
| 142 | T | 96.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.27 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -13.6 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | I138 R139 E140 I144 Y145 | I138-T142 HydrophobicContact CG2-CG2 4.44Å; I138-T142 WeakPolarHBondContact O-CG2 3.38Å; I138-T142 PolarHBondContact O-N 3.02Å; R139-T142 PolarHBondContact O-OG1 2.82Å; E140-T142 PolarHBondContact O-N 2.78Å; T142-I144 PolarHBondContact O-N 3.34Å; T142-I144 VanDerWaalsContact O-N 3.12Å; T142-Y145 HydrophobicContact CG2-CE2 4.14Å; T142-Y145 WeakPolarHBondContact O-CD2 3.5Å; T142-Y145 PolarHBondContact O-N 2.84Å |
| 143 | H | 97.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -20 | 171.6 | -65.5 | 163.6 | 0 | 0 | 0 | 113.2 | E140 F141 Y145 A146 L147 L164 | E140-H143 WeakPolarHBondContact O-CB 3.31Å; E140-H143 PolarHBondContact O-N 2.98Å; F141-H143 PolarHBondContact O-N 3.06Å; H143-Y145 PolarHBondContact O-N 2.94Å; H143-A146 PolarHBondContact O-N 2.63Å; H143-A146 VanDerWaalsContact O-N 3.14Å; H143-L147 WeakPolarHBondContact O-CG 3.39Å; H143-L147 PolarHBondContact O-N 2.82Å; H143-L147 VanDerWaalsContact O-N 3.1Å; H143-L164 HydrophobicContact CB-CD2 4Å |
| 144 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.5 | -36.9 | 176.5 | -169.7 | 54.8 | 0 | 0 | 0 | 112.7 | F141 T142 A146 L147 Q148 F154 L160 L164 I462 | F141-I144 HydrophobicContact CE1-CG2 4.29Å; F141-I144 WeakPolarHBondContact O-CB 3.47Å; F141-I144 WeakPolarHBondContact O-CG2 3.29Å; F141-I144 PolarHBondContact O-N 3.34Å; F141-I144 VanDerWaalsContact O-N 3.09Å; T142-I144 PolarHBondContact O-N 3.34Å; T142-I144 VanDerWaalsContact O-N 3.12Å; I144-A146 PolarHBondContact O-N 2.97Å; I144-L147 HydrophobicContact CD1-CD1 4.44Å; I144-L147 PolarHBondContact O-N 3.2Å; I144-Q148 HydrophobicContact CD1-CG 4.07Å; I144-Q148 HydrophobicContact CG1-CG 4.33Å; I144-Q148 WeakPolarHBondContact O-CG 3.18Å; I144-Q148 PolarHBondContact O-N 2.83Å; I144-F154 HydrophobicContact CD1-CE2 4.28Å; I144-L160 HydrophobicContact CD1-CD1 4.01Å; I144-L160 HydrophobicContact CD1-CD2 3.95Å; I144-L160 HydrophobicContact CD1-CG 3.89Å; I144-L164 HydrophobicContact CB-CD1 4.19Å; I144-L164 HydrophobicContact CB-CD2 3.78Å; I144-L164 HydrophobicContact CD1-CD2 4.38Å; I144-I462 HydrophobicContact CD1-CG2 4.26Å; I144-I462 HydrophobicContact CG1-CD1 4.32Å; I144-I462 HydrophobicContact CG1-CG1 4.35Å; I144-I462 HydrophobicContact CG1-CG2 3.76Å; I144-I462 HydrophobicContact CG2-CD1 3.92Å; I144-I462 HydrophobicContact CG2-CG1 4.47Å |
| 145 | Y | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | -178.3 | -52.8 | -51.6 | 0 | 0 | 0 | 111.8 | S68 Y70 Y71 T142 H143 Q149 E458 I462 | S68-Y145 WeakPolarHBondContact O-CE2 3.42Å; S68-Y145 PolarHBondContact O-OH 2.99Å; S68-Y145 VanDerWaalsContact O-OH 3.12Å; Y70-Y145 AromaticContact CD1-CD1 3.84Å; Y70-Y145 HydrophobicContact CD1-CD1 3.84Å; Y70-Y145 HydrophobicContact CD1-CE1 4.32Å; Y70-Y145 HydrophobicContact CD1-CG 4.01Å; Y70-Y145 HydrophobicContact CG-CD1 4.13Å; Y70-Y145 HydrophobicContact CG-CD2 4.18Å; Y70-Y145 HydrophobicContact CG-CE1 4.4Å; Y70-Y145 HydrophobicContact CG-CE2 4.45Å; Y70-Y145 HydrophobicContact CG-CG 4.01Å; Y70-Y145 PolarHBondContact N-OH 3.13Å; Y70-Y145 VanDerWaalsContact N-OH 3.08Å; Y71-Y145 HydrophobicContact CD2-CD1 4.19Å; Y71-Y145 AromaticContact CD2-CE1 3.82Å; Y71-Y145 HydrophobicContact CD2-CE1 3.82Å; Y71-Y145 AromaticContact CE2-CD1 3.67Å; Y71-Y145 HydrophobicContact CE2-CD1 3.67Å; Y71-Y145 AromaticContact CE2-CE1 3.72Å; Y71-Y145 HydrophobicContact CE2-CE1 3.72Å; Y71-Y145 AromaticContact CZ-CD1 3.82Å; T142-Y145 HydrophobicContact CG2-CE2 4.14Å; T142-Y145 WeakPolarHBondContact O-CD2 3.5Å; T142-Y145 PolarHBondContact O-N 2.84Å; H143-Y145 PolarHBondContact O-N 2.94Å; Y145-Q149 VanDerWaalsContact O-CB 3.28Å; Y145-Q149 WeakPolarHBondContact O-CB 3.42Å; Y145-Q149 PolarHBondContact O-N 3.06Å; Y145-E458 WeakPolarHBondContact CE1-OE1 3.47Å; Y145-E458 VanDerWaalsContact CZ-OE1 3.25Å; Y145-E458 WeakPolarHBondContact OH-CG 3.15Å; Y145-E458 PolarHBondContact OH-OE1 2.81Å; Y145-I462 HydrophobicContact CE1-CD1 4.45Å |
| 146 | A | 97.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.8 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H143 I144 Q149 R150 | H143-A146 PolarHBondContact O-N 2.63Å; H143-A146 VanDerWaalsContact O-N 3.14Å; I144-A146 PolarHBondContact O-N 2.97Å; A146-Q149 PolarHBondContact O-N 3.37Å; A146-R150 WeakPolarHBondContact O-CG 3.43Å; A146-R150 PolarHBondContact O-N 3.15Å; A146-R150 VanDerWaalsContact O-N 3.13Å; A146-R150 PolarHBondContact O-NH1 2.9Å |
| 147 | L | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -52.4 | 174.4 | -66.2 | 168.8 | 0 | 0 | 0 | 110.7 | H143 I144 Q149 R150 G151 E152 F154 K163 L164 | H143-L147 WeakPolarHBondContact O-CG 3.39Å; H143-L147 PolarHBondContact O-N 2.82Å; H143-L147 VanDerWaalsContact O-N 3.1Å; I144-L147 HydrophobicContact CD1-CD1 4.44Å; I144-L147 PolarHBondContact O-N 3.2Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 3Å; L147-R150 PolarHBondContact O-N 3.3Å; L147-R150 VanDerWaalsContact O-N 3.13Å; L147-G151 PolarHBondContact O-N 3.4Å; L147-E152 HydrophobicContact CB-CB 4.23Å; L147-E152 VanDerWaalsContact CD2-CD 3.42Å; L147-E152 VanDerWaalsContact CD2-OE1 3.29Å; L147-E152 WeakPolarHBondContact CD2-OE1 3.28Å; L147-E152 VanDerWaalsContact CD2-OE2 3.28Å; L147-E152 WeakPolarHBondContact CD2-OE2 3.27Å; L147-E152 WeakPolarHBondContact O-CB 3.46Å; L147-E152 PolarHBondContact O-N 3.49Å; L147-F154 HydrophobicContact CD1-CZ 4.21Å; L147-K163 HydrophobicContact CD1-CB 4.5Å; L147-K163 HydrophobicContact CD1-CG 3.8Å; L147-K163 HydrophobicContact CD2-CG 3.99Å; L147-L164 HydrophobicContact CD1-CD2 3.53Å; L147-L164 HydrophobicContact CD1-CG 4.4Å |
| 148 | Q | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.7 | -25.5 | -179.6 | -67.9 | -170.5 | -40.1 | 0 | 0 | 113 | Y71 I144 G151 I462 R465 L469 | Y71-Q148 PolarHBondContact OH-OE1 2.92Å; I144-Q148 HydrophobicContact CD1-CG 4.07Å; I144-Q148 HydrophobicContact CG1-CG 4.33Å; I144-Q148 WeakPolarHBondContact O-CG 3.18Å; I144-Q148 PolarHBondContact O-N 2.83Å; Q148-G151 PolarHBondContact O-N 3.41Å; Q148-I462 PolarHBondContact NE2-O 3.32Å; Q148-R465 HydrophobicContact CB-CG 4.45Å; Q148-R465 PolarHBondContact O-NH2 3.38Å; Q148-L469 HydrophobicContact CB-CD1 4.05Å; Q148-L469 HydrophobicContact CG-CD1 4.21Å |
| 149 | Q | 96.5 | Very high | 97.4 | Very high | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.5 | -33 | 172.2 | -169.7 | 60.8 | 21.9 | 0 | 0 | 112.7 | Y145 A146 L147 G151 | Y145-Q149 VanDerWaalsContact O-CB 3.28Å; Y145-Q149 WeakPolarHBondContact O-CB 3.42Å; Y145-Q149 PolarHBondContact O-N 3.06Å; A146-Q149 PolarHBondContact O-N 3.37Å; L147-Q149 VanDerWaalsContact C-N 3.28Å; L147-Q149 PolarHBondContact O-N 3Å; Q149-G151 PolarHBondContact O-N 3.24Å |
| 150 | R | 96.7 | Very high | 97.5 | Very high | 160 Ų | 160 | 39.5 Ų | 39.5 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -0.7 | 172.3 | -67.8 | -170.4 | -59.5 | -91.8 | 5 | 113.7 | A146 L147 E152 | A146-R150 WeakPolarHBondContact O-CG 3.43Å; A146-R150 PolarHBondContact O-N 3.15Å; A146-R150 VanDerWaalsContact O-N 3.13Å; A146-R150 PolarHBondContact O-NH1 2.9Å; L147-R150 PolarHBondContact O-N 3.3Å; L147-R150 VanDerWaalsContact O-N 3.13Å; R150-E152 IonicContact CZ-OE1 3.68Å; R150-E152 IonicContact NE-OE1 2.66Å; R150-E152 PolarHBondContact NE-OE1 3.07Å; R150-E152 IonicContact NH2-OE1 3.85Å; R150-E152 PolarHBondContact NH2-OE1 2.65Å |
| 151 | G | 96.5 | Very high | 97.5 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 39% | 0.392 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 15.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L147 Q148 Q149 | L147-G151 PolarHBondContact O-N 3.4Å; Q148-G151 PolarHBondContact O-N 3.41Å; Q149-G151 PolarHBondContact O-N 3.24Å |
| 152 | E | 97.7 | Very high | 97.6 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | trans | -68.7 | 135.3 | 173.2 | -63.2 | -175.8 | -126.1 | 0 | 0 | 110.1 | L147 R150 F154 K163 L469 | L147-E152 HydrophobicContact CB-CB 4.23Å; L147-E152 VanDerWaalsContact CD2-CD 3.42Å; L147-E152 VanDerWaalsContact CD2-OE1 3.29Å; L147-E152 WeakPolarHBondContact CD2-OE1 3.28Å; L147-E152 VanDerWaalsContact CD2-OE2 3.28Å; L147-E152 WeakPolarHBondContact CD2-OE2 3.27Å; L147-E152 WeakPolarHBondContact O-CB 3.46Å; L147-E152 PolarHBondContact O-N 3.49Å; R150-E152 IonicContact CZ-OE1 3.68Å; R150-E152 IonicContact NE-OE1 2.66Å; R150-E152 PolarHBondContact NE-OE1 3.07Å; R150-E152 IonicContact NH2-OE1 3.85Å; R150-E152 PolarHBondContact NH2-OE1 2.65Å; E152-F154 HydrophobicContact CB-CZ 4.4Å; E152-K163 WeakPolarHBondContact OE2-CE 3.47Å; E152-K163 IonicContact OE2-NZ 3.87Å; E152-L469 WeakPolarHBondContact O-CD1 3.39Å | ||
| 153 | C | 97.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | trans | -138.8 | 153.4 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | N466 L469 L470 | C153-N466 WeakPolarHBondContact CA-OD1 3.29Å; C153-L469 HydrophobicContact CB-CB 3.69Å; C153-L470 HydrophobicContact CB-CD2 4.01Å; C153-L470 HydrophobicContact CB-CG 4.07Å | ||
| 154 | F | 97.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | trans | -128.1 | 137.8 | -170.4 | -52.6 | -82 | 0 | 0 | 0 | 111.3 | I144 L147 E152 L159 L160 K163 F438 N466 L470 | I144-F154 HydrophobicContact CD1-CE2 4.28Å; L147-F154 HydrophobicContact CD1-CZ 4.21Å; E152-F154 HydrophobicContact CB-CZ 4.4Å; F154-L159 HydrophobicContact CB-CB 4.36Å; F154-L159 HydrophobicContact CD1-CB 4.37Å; F154-L160 HydrophobicContact CB-CB 3.88Å; F154-L160 HydrophobicContact CD1-CB 4.37Å; F154-L160 HydrophobicContact CD2-CB 3.72Å; F154-L160 HydrophobicContact CD2-CD1 3.88Å; F154-L160 HydrophobicContact CD2-CG 3.68Å; F154-L160 HydrophobicContact CE2-CB 4.4Å; F154-L160 HydrophobicContact CE2-CD1 4.49Å; F154-L160 HydrophobicContact CE2-CG 4.06Å; F154-L160 HydrophobicContact CG-CB 3.7Å; F154-L160 HydrophobicContact CG-CG 4.21Å; F154-K163 HydrophobicContact CD1-CB 4.48Å; F154-K163 HydrophobicContact CE1-CB 3.55Å; F154-K163 HydrophobicContact CE1-CD 4.5Å; F154-K163 HydrophobicContact CE1-CG 3.66Å; F154-K163 HydrophobicContact CZ-CB 3.88Å; F154-K163 HydrophobicContact CZ-CG 3.73Å; F154-F438 VanDerWaalsContact O-CD2 3.28Å; F154-F438 WeakPolarHBondContact O-CD2 3.49Å; F154-N466 PolarHBondContact N-OD1 2.86Å; F154-N466 PolarHBondContact O-ND2 3.46Å; F154-L470 WeakPolarHBondContact O-CD1 3.48Å | ||
| 155 | A | 96.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 41 Ų | 41 | 33% | 0.331 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -73.7 | -28.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L159 Q437 F438 | A155-L159 HydrophobicContact CB-CD1 4.19Å; A155-Q437 PolarHBondContact O-OE1 2.91Å; A155-F438 WeakPolarHBondContact O-CB 3.19Å; A155-F438 PolarHBondContact O-N 2.77Å |
| 156 | S | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -136.1 | 159 | 178.4 | 72.3 | 0 | 0 | 0 | 0 | 112 | G158 L159 L160 Y432 G436 F438 | S156-G158 VanDerWaalsContact C-N 3.28Å; S156-G158 PolarHBondContact O-N 3.21Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 WeakPolarHBondContact OG-CG 3.44Å; S156-L159 PolarHBondContact OG-N 2.82Å; S156-L160 PolarHBondContact O-N 3.4Å; S156-Y432 PolarHBondContact OG-O 2.85Å; S156-G436 WeakPolarHBondContact CB-O 3.45Å; S156-F438 VanDerWaalsContact C-CE2 3.44Å |
| 157 | P | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -37.4 | 171.2 | -23.9 | 35.5 | 0 | 0 | 0 | 112.7 | L159 L160 L161 L435 G436 F438 A449 T453 | P157-L159 PolarHBondContact O-N 3.41Å; P157-L160 WeakPolarHBondContact O-CB 3.49Å; P157-L160 PolarHBondContact O-N 3.49Å; P157-L160 VanDerWaalsContact O-N 3.14Å; P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.13Å; P157-L435 HydrophobicContact CB-CB 4.19Å; P157-L435 HydrophobicContact CG-CB 4.47Å; P157-G436 WeakPolarHBondContact CD-O 3.23Å; P157-F438 HydrophobicContact CB-CE2 4.34Å; P157-F438 HydrophobicContact CB-CZ 4.42Å; P157-F438 HydrophobicContact CG-CD2 4.49Å; P157-F438 HydrophobicContact CG-CE2 3.91Å; P157-F438 HydrophobicContact CG-CZ 3.92Å; P157-A449 HydrophobicContact CG-CB 3.88Å; P157-A449 WeakPolarHBondContact CG-O 3.4Å; P157-T453 HydrophobicContact CB-CG2 3.52Å |
| 158 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S156 L160 L161 E162 P431 | S156-G158 VanDerWaalsContact C-N 3.28Å; S156-G158 PolarHBondContact O-N 3.21Å; G158-L160 VanDerWaalsContact C-N 3.33Å; G158-L160 PolarHBondContact O-N 3.2Å; G158-L161 PolarHBondContact O-N 3.23Å; G158-E162 WeakPolarHBondContact O-CB 3.02Å; G158-E162 PolarHBondContact O-N 2.88Å; G158-P431 WeakPolarHBondContact CA-O 3.48Å |
| 159 | L | 97.9 | Very high | 97.4 | Very high | 67 Ų | 67 | 47.7 Ų | 47.7 | 35% | 0.351 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 175.8 | -70.5 | 170.7 | 0 | 0 | 0 | 112.5 | F154 A155 S156 P157 K163 Y432 | F154-L159 HydrophobicContact CB-CB 4.36Å; F154-L159 HydrophobicContact CD1-CB 4.37Å; A155-L159 HydrophobicContact CB-CD1 4.19Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-L159 WeakPolarHBondContact OG-CG 3.44Å; S156-L159 PolarHBondContact OG-N 2.82Å; P157-L159 PolarHBondContact O-N 3.41Å; L159-K163 PolarHBondContact O-N 2.79Å; L159-Y432 HydrophobicContact CD2-CD1 3.94Å; L159-Y432 HydrophobicContact CD2-CE1 4.24Å; L159-Y432 HydrophobicContact CG-CD1 4.19Å |
| 160 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.2 | -175.4 | 159.7 | 0 | 0 | 0 | 110.5 | I144 F154 S156 P157 G158 K163 L164 F438 I450 I462 | I144-L160 HydrophobicContact CD1-CD1 4.01Å; I144-L160 HydrophobicContact CD1-CD2 3.95Å; I144-L160 HydrophobicContact CD1-CG 3.89Å; F154-L160 HydrophobicContact CB-CB 3.88Å; F154-L160 HydrophobicContact CD1-CB 4.37Å; F154-L160 HydrophobicContact CD2-CB 3.72Å; F154-L160 HydrophobicContact CD2-CD1 3.88Å; F154-L160 HydrophobicContact CD2-CG 3.68Å; F154-L160 HydrophobicContact CE2-CB 4.4Å; F154-L160 HydrophobicContact CE2-CD1 4.49Å; F154-L160 HydrophobicContact CE2-CG 4.06Å; F154-L160 HydrophobicContact CG-CB 3.7Å; F154-L160 HydrophobicContact CG-CG 4.21Å; S156-L160 PolarHBondContact O-N 3.4Å; P157-L160 WeakPolarHBondContact O-CB 3.49Å; P157-L160 PolarHBondContact O-N 3.49Å; P157-L160 VanDerWaalsContact O-N 3.14Å; G158-L160 VanDerWaalsContact C-N 3.33Å; G158-L160 PolarHBondContact O-N 3.2Å; L160-K163 PolarHBondContact O-N 3.34Å; L160-L164 HydrophobicContact CD2-CD1 3.7Å; L160-L164 HydrophobicContact CD2-CG 4.45Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.05Å; L160-F438 HydrophobicContact CD1-CE2 4.3Å; L160-F438 HydrophobicContact CD1-CZ 4.35Å; L160-I450 HydrophobicContact CD1-CD1 4.36Å; L160-I462 HydrophobicContact CD1-CG2 3.99Å |
| 161 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | -179.9 | -70.9 | -171.8 | 0 | 0 | 0 | 112 | P157 G158 K163 L164 S165 F168 P169 T172 F213 L435 T453 | P157-L161 WeakPolarHBondContact O-CG 3.43Å; P157-L161 PolarHBondContact O-N 3.13Å; G158-L161 PolarHBondContact O-N 3.23Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.47Å; L161-L164 PolarHBondContact O-N 2.85Å; L161-L164 VanDerWaalsContact O-N 3.11Å; L161-S165 PolarHBondContact O-N 3.23Å; L161-S165 VanDerWaalsContact O-N 3.11Å; L161-F168 HydrophobicContact CB-CB 3.77Å; L161-F168 HydrophobicContact CD1-CB 4.41Å; L161-F168 HydrophobicContact CD2-CB 4.19Å; L161-F168 HydrophobicContact CD2-CD2 4.29Å; L161-F168 HydrophobicContact CG-CB 4.33Å; L161-P169 HydrophobicContact CB-CG 4.29Å; L161-T172 HydrophobicContact CD1-CG2 4Å; L161-F213 HydrophobicContact CD1-CD1 4.46Å; L161-F213 HydrophobicContact CD1-CD2 4.48Å; L161-F213 HydrophobicContact CD1-CE1 4.49Å; L161-F213 HydrophobicContact CD1-CG 4.46Å; L161-F213 HydrophobicContact CD2-CD2 4.46Å; L161-F213 HydrophobicContact CD2-CE1 3.91Å; L161-F213 HydrophobicContact CD2-CE2 3.72Å; L161-F213 HydrophobicContact CD2-CZ 3.4Å; L161-L435 HydrophobicContact CD1-CD1 4.23Å; L161-T453 HydrophobicContact CD1-CG2 3.9Å; L161-T453 HydrophobicContact CG-CG2 4.48Å |
| 162 | E | 97.9 | Very high | 97.6 | Very high | 89 Ų | 89 | 35.9 Ų | 35.9 | 42% | 0.416 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.2 | -43 | 177 | 178.1 | -179.7 | -116.8 | 0 | 0 | 111.9 | G158 L164 S165 P169 Y432 | G158-E162 WeakPolarHBondContact O-CB 3.02Å; G158-E162 PolarHBondContact O-N 2.88Å; E162-L164 VanDerWaalsContact C-N 3.25Å; E162-L164 PolarHBondContact O-N 2.92Å; E162-S165 PolarHBondContact O-N 3.24Å; E162-P169 HydrophobicContact CB-CG 3.79Å; E162-Y432 HydrophobicContact CB-CE1 4.18Å; E162-Y432 PolarHBondContact OE1-OH 3.19Å |
| 163 | K | 97.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 37.1 Ų | 37.1 | 52% | 0.522 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -30.6 | -179.6 | -171.4 | 63.6 | 170.7 | -171.3 | 0 | 113.1 | L147 E152 F154 L159 L160 L161 | L147-K163 HydrophobicContact CD1-CB 4.5Å; L147-K163 HydrophobicContact CD1-CG 3.8Å; L147-K163 HydrophobicContact CD2-CG 3.99Å; E152-K163 WeakPolarHBondContact OE2-CE 3.47Å; E152-K163 IonicContact OE2-NZ 3.87Å; F154-K163 HydrophobicContact CD1-CB 4.48Å; F154-K163 HydrophobicContact CE1-CB 3.55Å; F154-K163 HydrophobicContact CE1-CD 4.5Å; F154-K163 HydrophobicContact CE1-CG 3.66Å; F154-K163 HydrophobicContact CZ-CB 3.88Å; F154-K163 HydrophobicContact CZ-CG 3.73Å; L159-K163 PolarHBondContact O-N 2.79Å; L160-K163 PolarHBondContact O-N 3.34Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.47Å |
| 164 | L | 97.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -80.4 | -43.9 | 179.9 | -64.3 | 173.4 | 0 | 0 | 0 | 112.2 | F141 H143 I144 L147 L160 L161 E162 F168 | F141-L164 HydrophobicContact CD2-CD1 3.98Å; F141-L164 HydrophobicContact CE2-CD1 4.09Å; H143-L164 HydrophobicContact CB-CD2 4Å; I144-L164 HydrophobicContact CB-CD1 4.19Å; I144-L164 HydrophobicContact CB-CD2 3.78Å; I144-L164 HydrophobicContact CD1-CD2 4.38Å; L147-L164 HydrophobicContact CD1-CD2 3.53Å; L147-L164 HydrophobicContact CD1-CG 4.4Å; L160-L164 HydrophobicContact CD2-CD1 3.7Å; L160-L164 HydrophobicContact CD2-CG 4.45Å; L160-L164 WeakPolarHBondContact O-CG 3.38Å; L160-L164 PolarHBondContact O-N 3.05Å; L161-L164 PolarHBondContact O-N 2.85Å; L161-L164 VanDerWaalsContact O-N 3.11Å; E162-L164 VanDerWaalsContact C-N 3.25Å; E162-L164 PolarHBondContact O-N 2.92Å; L164-F168 HydrophobicContact CB-CD2 3.68Å; L164-F168 HydrophobicContact CB-CE2 3.58Å; L164-F168 HydrophobicContact CD1-CD2 4.29Å; L164-F168 HydrophobicContact CD1-CE2 4.14Å |
| 165 | S | 97.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | trans | -161.6 | 136.1 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | E140 L161 E162 H167 F168 P169 | E140-S165 VanDerWaalsContact OE2-CB 3.31Å; E140-S165 WeakPolarHBondContact OE2-CB 3.3Å; E140-S165 PolarHBondContact OE2-OG 3.3Å; L161-S165 PolarHBondContact O-N 3.23Å; L161-S165 VanDerWaalsContact O-N 3.11Å; E162-S165 PolarHBondContact O-N 3.24Å; S165-H167 PolarHBondContact O-N 2.9Å; S165-H167 PolarHBondContact OG-N 3.41Å; S165-H167 PolarHBondContact OG-ND1 3.45Å; S165-F168 PolarHBondContact O-N 3.21Å; S165-F168 VanDerWaalsContact O-N 3.07Å; S165-P169 VanDerWaalsContact O-CD 3.29Å; S165-P169 WeakPolarHBondContact O-CD 3.41Å | ||
| 166 | K | 95.6 | Very high | 97.8 | Very high | 166 Ų | 166 | 35.1 Ų | 35.1 | 72% | 0.722 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.9 | 171.6 | 66.9 | 175.6 | -175.8 | 172.9 | 0 | 113.6 | ||
| 167 | H | 96.2 | Very high | 97.9 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -80.2 | -26.6 | -179.2 | -52.3 | 88.2 | 0 | 0 | 0 | 112.4 | S165 E170 M171 W179 | S165-H167 PolarHBondContact O-N 2.9Å; S165-H167 PolarHBondContact OG-N 3.41Å; S165-H167 PolarHBondContact OG-ND1 3.45Å; H167-E170 PolarHBondContact O-N 2.9Å; H167-M171 HydrophobicContact CB-CE 3.78Å; H167-M171 VanDerWaalsContact O-CG 3.29Å; H167-M171 WeakPolarHBondContact O-CG 3.44Å; H167-M171 PolarHBondContact O-N 2.83Å; H167-W179 HydrophobicContact CB-CH2 4.46Å |
| 168 | F | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.5 | -42.8 | -170.2 | -65.9 | -18.7 | 0 | 0 | 0 | 113.5 | R137 E140 F141 L161 L164 S165 E170 M171 F213 | R137-F168 HydrophobicContact CB-CE1 4.39Å; E140-F168 HydrophobicContact CB-CE2 4.43Å; E140-F168 HydrophobicContact CB-CZ 3.91Å; F141-F168 HydrophobicContact CB-CE2 4.2Å; F141-F168 HydrophobicContact CB-CZ 4.06Å; F141-F168 HydrophobicContact CD2-CE2 4.02Å; F141-F168 HydrophobicContact CD2-CZ 4.43Å; L161-F168 HydrophobicContact CB-CB 3.77Å; L161-F168 HydrophobicContact CD1-CB 4.41Å; L161-F168 HydrophobicContact CD2-CB 4.19Å; L161-F168 HydrophobicContact CD2-CD2 4.29Å; L161-F168 HydrophobicContact CG-CB 4.33Å; L164-F168 HydrophobicContact CB-CD2 3.68Å; L164-F168 HydrophobicContact CB-CE2 3.58Å; L164-F168 HydrophobicContact CD1-CD2 4.29Å; L164-F168 HydrophobicContact CD1-CE2 4.14Å; S165-F168 PolarHBondContact O-N 3.21Å; S165-F168 VanDerWaalsContact O-N 3.07Å; F168-E170 VanDerWaalsContact C-N 3.34Å; F168-E170 PolarHBondContact O-N 3.14Å; F168-M171 HydrophobicContact CD1-CE 3.98Å; F168-M171 HydrophobicContact CD1-SD 4.14Å; F168-M171 HydrophobicContact CE1-CE 4.29Å; F168-M171 PolarHBondContact O-N 2.9Å; F168-F213 HydrophobicContact CB-CD2 3.93Å; F168-F213 HydrophobicContact CB-CE2 3.82Å; F168-F213 AromaticContact CD1-CD2 3.92Å; F168-F213 HydrophobicContact CD1-CD2 3.92Å; F168-F213 AromaticContact CD1-CE2 3.65Å; F168-F213 HydrophobicContact CD1-CE2 3.65Å; F168-F213 AromaticContact CD2-CE2 3.88Å; F168-F213 HydrophobicContact CD2-CE2 3.88Å; F168-F213 HydrophobicContact CE1-CE2 4.1Å; F168-F213 HydrophobicContact CE2-CE2 4.33Å; F168-F213 AromaticContact CG-CD2 3.99Å; F168-F213 HydrophobicContact CG-CD2 3.99Å; F168-F213 AromaticContact CG-CE2 3.53Å; F168-F213 HydrophobicContact CG-CE2 3.53Å; F168-F213 HydrophobicContact CZ-CE2 4.44Å |
| 169 | P | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 169.8 | -24.6 | 35.4 | 0 | 0 | 0 | 112.3 | L161 E162 S165 M171 T172 P431 | L161-P169 HydrophobicContact CB-CG 4.29Å; E162-P169 HydrophobicContact CB-CG 3.79Å; S165-P169 VanDerWaalsContact O-CD 3.29Å; S165-P169 WeakPolarHBondContact O-CD 3.41Å; P169-M171 VanDerWaalsContact C-N 3.33Å; P169-M171 PolarHBondContact O-N 2.88Å; P169-T172 WeakPolarHBondContact O-CB 3.42Å; P169-T172 PolarHBondContact O-N 3.4Å; P169-T172 PolarHBondContact O-OG1 3.11Å; P169-P431 HydrophobicContact CB-CB 4.2Å; P169-P431 HydrophobicContact CB-CG 4.17Å |
| 170 | E | 97.7 | Very high | 97.9 | Very high | 84 Ų | 84 | 36.3 Ų | 36.3 | 39% | 0.393 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 179.9 | -62.1 | -52.8 | 121.4 | 0 | 0 | 113 | H167 F168 T172 K173 W179 | H167-E170 PolarHBondContact O-N 2.9Å; F168-E170 VanDerWaalsContact C-N 3.34Å; F168-E170 PolarHBondContact O-N 3.14Å; E170-T172 PolarHBondContact O-N 2.65Å; E170-T172 VanDerWaalsContact O-N 3.13Å; E170-K173 WeakPolarHBondContact O-CB 3.44Å; E170-K173 PolarHBondContact O-N 3Å; E170-K173 IonicContact OE1-NZ 3.87Å; E170-K173 PolarHBondContact OE1-NZ 3.08Å; E170-K173 IonicContact OE2-NZ 3.05Å; E170-K173 PolarHBondContact OE2-NZ 3.39Å; E170-W179 HydrophobicContact CB-CH2 4.44Å; E170-W179 HydrophobicContact CB-CZ3 4.18Å |
| 171 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17 | 173 | -73.8 | -177.7 | -155.1 | 0 | 0 | 113.6 | Y133 R137 H167 F168 P169 K173 W179 A212 F213 V216 | Y133-M171 WeakPolarHBondContact OH-CE 3.31Å; R137-M171 VanDerWaalsContact CD-CE 3.48Å; R137-M171 HydrophobicContact CG-CE 4.19Å; H167-M171 HydrophobicContact CB-CE 3.78Å; H167-M171 VanDerWaalsContact O-CG 3.29Å; H167-M171 WeakPolarHBondContact O-CG 3.44Å; H167-M171 PolarHBondContact O-N 2.83Å; F168-M171 HydrophobicContact CD1-CE 3.98Å; F168-M171 HydrophobicContact CD1-SD 4.14Å; F168-M171 HydrophobicContact CE1-CE 4.29Å; F168-M171 PolarHBondContact O-N 2.9Å; P169-M171 VanDerWaalsContact C-N 3.33Å; P169-M171 PolarHBondContact O-N 2.88Å; M171-K173 VanDerWaalsContact C-N 3.35Å; M171-W179 HydrophobicContact CE-CH2 4.46Å; M171-W179 HydrophobicContact CE-CZ2 3.7Å; M171-W179 HydrophobicContact CG-CD2 3.81Å; M171-W179 HydrophobicContact CG-CE3 3.97Å; M171-W179 HydrophobicContact CG-CH2 3.73Å; M171-W179 HydrophobicContact CG-CZ2 3.57Å; M171-W179 HydrophobicContact CG-CZ3 3.92Å; M171-W179 HydrophobicContact SD-CZ2 4.42Å; M171-A212 HydrophobicContact CB-CB 4.06Å; M171-A212 HydrophobicContact CG-CB 4.37Å; M171-A212 WeakPolarHBondContact O-CA 3.41Å; M171-A212 VanDerWaalsContact O-CB 3.26Å; M171-A212 WeakPolarHBondContact O-CB 3.34Å; M171-A212 PolarHBondContact O-N 2.98Å; M171-F213 HydrophobicContact CB-CB 3.83Å; M171-F213 PolarHBondContact O-N 2.98Å; M171-F213 HydrophobicContact SD-CD2 4.2Å; M171-V216 HydrophobicContact SD-CB 4.41Å; M171-V216 HydrophobicContact SD-CG2 3.99Å |
| 172 | T | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -10.9 | 175.2 | 67 | 0 | 0 | 0 | 0 | 112.4 | L161 P169 E170 H211 F213 P427 V428 P431 L435 | L161-T172 HydrophobicContact CD1-CG2 4Å; P169-T172 WeakPolarHBondContact O-CB 3.42Å; P169-T172 PolarHBondContact O-N 3.4Å; P169-T172 PolarHBondContact O-OG1 3.11Å; E170-T172 PolarHBondContact O-N 2.65Å; E170-T172 VanDerWaalsContact O-N 3.13Å; T172-H211 WeakPolarHBondContact O-CB 3.45Å; T172-F213 HydrophobicContact CG2-CB 3.84Å; T172-F213 HydrophobicContact CG2-CG 4.46Å; T172-P427 CarbonylContact O-C 3.53Å; T172-P427 VanDerWaalsContact O-CA 3.28Å; T172-P427 WeakPolarHBondContact O-CA 3.39Å; T172-V428 PolarHBondContact O-N 3.43Å; T172-P431 WeakPolarHBondContact OG1-CB 3.43Å; T172-P431 VanDerWaalsContact OG1-CG 3.29Å; T172-P431 WeakPolarHBondContact OG1-CG 3.42Å; T172-L435 HydrophobicContact CG2-CD1 3.96Å; T172-L435 HydrophobicContact CG2-CD2 4.44Å |
| 173 | K | 98.2 | Very high | 97.8 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -95.2 | -2.4 | -175.8 | -58.8 | -179.9 | -179.6 | 167.4 | 0 | 115.1 | E170 M171 V428 P431 | E170-K173 WeakPolarHBondContact O-CB 3.44Å; E170-K173 PolarHBondContact O-N 3Å; E170-K173 IonicContact OE1-NZ 3.87Å; E170-K173 PolarHBondContact OE1-NZ 3.08Å; E170-K173 IonicContact OE2-NZ 3.05Å; E170-K173 PolarHBondContact OE2-NZ 3.39Å; M171-K173 VanDerWaalsContact C-N 3.35Å; K173-V428 WeakPolarHBondContact CA-O 3.23Å; K173-P431 HydrophobicContact CD-CG 4.36Å; K173-P431 VanDerWaalsContact CE-CD 3.47Å; K173-P431 HydrophobicContact CG-CG 3.93Å |
| 174 | C | 98 | Very high | 97.7 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -144.5 | 164.5 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | W179 H211 A212 | C174-W179 VanDerWaalsContact SG-CE3 3.58Å; C174-H211 CarbonylContact O-C 3.56Å; C174-H211 WeakPolarHBondContact O-CA 3.28Å; C174-A212 PolarHBondContact O-N 2.99Å |
| 175 | T | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 155.9 | -177.2 | 66 | 0 | 0 | 0 | 0 | 110.7 | A177 E178 W179 A208 A210 P427 | T175-A177 VanDerWaalsContact C-N 3.29Å; T175-A177 PolarHBondContact O-N 3.08Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T175-E178 PolarHBondContact N-OE2 3.48Å; T175-E178 PolarHBondContact O-N 3.17Å; T175-E178 VanDerWaalsContact OG1-CB 3.32Å; T175-E178 WeakPolarHBondContact OG1-CB 3.34Å; T175-E178 VanDerWaalsContact OG1-CD 3.26Å; T175-E178 WeakPolarHBondContact OG1-CG 3.36Å; T175-E178 PolarHBondContact OG1-N 2.69Å; T175-E178 PolarHBondContact OG1-OE2 3.47Å; T175-W179 PolarHBondContact O-N 2.9Å; T175-A208 WeakPolarHBondContact CG2-O 3.46Å; T175-A210 CarbonylContact C-O 3.54Å; T175-A210 WeakPolarHBondContact CA-O 3.42Å; T175-P427 HydrophobicContact CG2-CG 3.68Å |
| 176 | Y | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.7 | -175.7 | -141.7 | 0 | 0 | 0 | 112.4 | W179 M180 L199 S207 A210 A212 V216 S219 | Y176-W179 PolarHBondContact O-N 3.3Å; Y176-M180 HydrophobicContact CD1-CE 3.66Å; Y176-M180 HydrophobicContact CD1-SD 4.32Å; Y176-M180 HydrophobicContact CD2-CE 4.29Å; Y176-M180 HydrophobicContact CD2-CG 3.95Å; Y176-M180 HydrophobicContact CD2-SD 4.44Å; Y176-M180 HydrophobicContact CE1-CE 3.66Å; Y176-M180 HydrophobicContact CE1-CG 4.47Å; Y176-M180 HydrophobicContact CE1-SD 3.76Å; Y176-M180 HydrophobicContact CE2-CE 4.27Å; Y176-M180 HydrophobicContact CE2-CG 3.52Å; Y176-M180 HydrophobicContact CE2-SD 3.87Å; Y176-M180 HydrophobicContact CG-CE 3.98Å; Y176-M180 WeakPolarHBondContact O-CB 3.33Å; Y176-M180 WeakPolarHBondContact O-CG 3.24Å; Y176-M180 PolarHBondContact O-N 2.77Å; Y176-L199 HydrophobicContact CD1-CD2 4.05Å; Y176-S207 PolarHBondContact N-O 2.62Å; Y176-A210 PolarHBondContact N-O 2.86Å; Y176-A212 HydrophobicContact CD2-CB 4.31Å; Y176-V216 HydrophobicContact CE2-CG2 4.09Å; Y176-S219 PolarHBondContact OH-OG 3.18Å |
| 177 | A | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | T175 R181 I191 S207 | T175-A177 VanDerWaalsContact C-N 3.29Å; T175-A177 PolarHBondContact O-N 3.08Å; A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 2.98Å; A177-R181 PolarHBondContact O-NH1 2.7Å; A177-I191 HydrophobicContact CB-CG2 4.05Å; A177-S207 WeakPolarHBondContact CB-O 3.45Å; A177-S207 PolarHBondContact N-O 3.12Å |
| 178 | E | 98.2 | Very high | 97.7 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 176.6 | -73.3 | 170.7 | 127.6 | 0 | 0 | 112.5 | T175 R181 K182 | T175-E178 WeakPolarHBondContact CG2-OE2 3.46Å; T175-E178 PolarHBondContact N-OE2 3.48Å; T175-E178 PolarHBondContact O-N 3.17Å; T175-E178 VanDerWaalsContact OG1-CB 3.32Å; T175-E178 WeakPolarHBondContact OG1-CB 3.34Å; T175-E178 VanDerWaalsContact OG1-CD 3.26Å; T175-E178 WeakPolarHBondContact OG1-CG 3.36Å; T175-E178 PolarHBondContact OG1-N 2.69Å; T175-E178 PolarHBondContact OG1-OE2 3.47Å; E178-R181 PolarHBondContact O-N 3.32Å; E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.39Å; E178-K182 PolarHBondContact O-N 2.98Å |
| 179 | W | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 179.8 | -174.3 | -84.3 | 0 | 0 | 0 | 112.2 | Y133 H167 E170 M171 C174 T175 Y176 R181 E183 I184 A212 | Y133-W179 AromaticContact CE1-NE1 3.98Å; Y133-W179 AromaticContact CZ-NE1 3.48Å; Y133-W179 VanDerWaalsContact OH-CZ2 3.27Å; Y133-W179 WeakPolarHBondContact OH-CZ2 3.2Å; Y133-W179 PolarHBondContact OH-NE1 2.92Å; H167-W179 HydrophobicContact CB-CH2 4.46Å; E170-W179 HydrophobicContact CB-CH2 4.44Å; E170-W179 HydrophobicContact CB-CZ3 4.18Å; M171-W179 HydrophobicContact CE-CH2 4.46Å; M171-W179 HydrophobicContact CE-CZ2 3.7Å; M171-W179 HydrophobicContact CG-CD2 3.81Å; M171-W179 HydrophobicContact CG-CE3 3.97Å; M171-W179 HydrophobicContact CG-CH2 3.73Å; M171-W179 HydrophobicContact CG-CZ2 3.57Å; M171-W179 HydrophobicContact CG-CZ3 3.92Å; M171-W179 HydrophobicContact SD-CZ2 4.42Å; C174-W179 VanDerWaalsContact SG-CE3 3.58Å; T175-W179 PolarHBondContact O-N 2.9Å; Y176-W179 PolarHBondContact O-N 3.3Å; W179-R181 VanDerWaalsContact C-N 3.26Å; W179-R181 PolarHBondContact O-N 3.49Å; W179-E183 HydrophobicContact CD2-CB 3.83Å; W179-E183 HydrophobicContact CD2-CG 3.69Å; W179-E183 HydrophobicContact CE3-CB 4.27Å; W179-E183 HydrophobicContact CE3-CG 3.61Å; W179-E183 HydrophobicContact CG-CB 4.2Å; W179-E183 HydrophobicContact CG-CG 4.35Å; W179-E183 HydrophobicContact CH2-CB 4.35Å; W179-E183 HydrophobicContact CH2-CG 3.9Å; W179-E183 HydrophobicContact CZ2-CB 3.87Å; W179-E183 HydrophobicContact CZ2-CG 3.93Å; W179-E183 HydrophobicContact CZ3-CG 3.74Å; W179-E183 WeakPolarHBondContact O-CB 3.47Å; W179-E183 PolarHBondContact O-N 2.85Å; W179-I184 PolarHBondContact O-N 3.21Å; W179-I184 VanDerWaalsContact O-N 3.15Å; W179-A212 HydrophobicContact CB-CB 3.26Å; W179-A212 HydrophobicContact CD2-CB 4.07Å; W179-A212 HydrophobicContact CE3-CB 4.47Å; W179-A212 HydrophobicContact CG-CB 3.53Å |
| 180 | M | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -57.7 | -41 | 174.3 | -76.1 | -170.2 | -73.5 | 0 | 0 | 112 | Y176 I184 G185 L186 Y190 I191 | Y176-M180 HydrophobicContact CD1-CE 3.66Å; Y176-M180 HydrophobicContact CD1-SD 4.32Å; Y176-M180 HydrophobicContact CD2-CE 4.29Å; Y176-M180 HydrophobicContact CD2-CG 3.95Å; Y176-M180 HydrophobicContact CD2-SD 4.44Å; Y176-M180 HydrophobicContact CE1-CE 3.66Å; Y176-M180 HydrophobicContact CE1-CG 4.47Å; Y176-M180 HydrophobicContact CE1-SD 3.76Å; Y176-M180 HydrophobicContact CE2-CE 4.27Å; Y176-M180 HydrophobicContact CE2-CG 3.52Å; Y176-M180 HydrophobicContact CE2-SD 3.87Å; Y176-M180 HydrophobicContact CG-CE 3.98Å; Y176-M180 WeakPolarHBondContact O-CB 3.33Å; Y176-M180 WeakPolarHBondContact O-CG 3.24Å; Y176-M180 PolarHBondContact O-N 2.77Å; M180-I184 HydrophobicContact CG-CD1 4.17Å; M180-G185 PolarHBondContact O-N 3.35Å; M180-L186 HydrophobicContact CB-CB 4.48Å; M180-L186 HydrophobicContact CB-CD1 4.01Å; M180-L186 HydrophobicContact CB-CG 4.44Å; M180-L186 HydrophobicContact CG-CD1 3.95Å; M180-L186 PolarHBondContact O-N 2.88Å; M180-L186 HydrophobicContact SD-CD1 4.1Å; M180-Y190 HydrophobicContact SD-CD1 4.29Å; M180-Y190 HydrophobicContact SD-CE1 4.19Å; M180-I191 HydrophobicContact CB-CD1 4.07Å; M180-I191 HydrophobicContact CB-CG1 3.75Å; M180-I191 HydrophobicContact CE-CB 4.21Å; M180-I191 HydrophobicContact CE-CG1 4.12Å; M180-I191 HydrophobicContact CE-CG2 3.88Å; M180-I191 HydrophobicContact SD-CG1 4.2Å |
| 181 | R | 97.8 | Very high | 97.6 | Very high | 93 Ų | 93 | 41.3 Ų | 41.3 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -71.5 | -52 | -179.3 | -171.8 | 179.1 | -65.5 | 101.6 | 2.4 | 112.5 | A177 E178 W179 E188 I191 | A177-R181 WeakPolarHBondContact O-CB 3.42Å; A177-R181 PolarHBondContact O-N 2.98Å; A177-R181 PolarHBondContact O-NH1 2.7Å; E178-R181 PolarHBondContact O-N 3.32Å; W179-R181 VanDerWaalsContact C-N 3.26Å; W179-R181 PolarHBondContact O-N 3.49Å; R181-E188 IonicContact CZ-OE1 2.85Å; R181-E188 VanDerWaalsContact CZ-OE1 3.32Å; R181-E188 IonicContact CZ-OE2 3.45Å; R181-E188 IonicContact NE-OE1 3.64Å; R181-E188 PolarHBondContact NE-OE1 3.37Å; R181-E188 IonicContact NE-OE2 3.98Å; R181-E188 VanDerWaalsContact NH2-CD 3.34Å; R181-E188 IonicContact NH2-OE1 2.75Å; R181-E188 PolarHBondContact NH2-OE1 2.85Å; R181-E188 VanDerWaalsContact NH2-OE1 3.11Å; R181-E188 IonicContact NH2-OE2 3.23Å; R181-E188 PolarHBondContact NH2-OE2 3.13Å; R181-I191 HydrophobicContact CB-CD1 3.83Å; R181-I191 HydrophobicContact CG-CD1 4.47Å |
| 182 | K | 97.2 | Very high | 97.5 | Very high | 148 Ų | 148 | 43.8 Ų | 43.8 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | I | π-helix | trans | -84.5 | -45.5 | -169.6 | -65.3 | 178.9 | -178.4 | 170.7 | 0 | 112.8 | E178 | E178-K182 WeakPolarHBondContact O-CB 3.48Å; E178-K182 WeakPolarHBondContact O-CG 3.39Å; E178-K182 PolarHBondContact O-N 2.98Å |
| 183 | E | 96.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 44.5 Ų | 44.5 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | I | π-helix | trans | -97 | -37.3 | -170.7 | -60.7 | -59.9 | 138.1 | 0 | 0 | 112.7 | W179 | W179-E183 HydrophobicContact CD2-CB 3.83Å; W179-E183 HydrophobicContact CD2-CG 3.69Å; W179-E183 HydrophobicContact CE3-CB 4.27Å; W179-E183 HydrophobicContact CE3-CG 3.61Å; W179-E183 HydrophobicContact CG-CB 4.2Å; W179-E183 HydrophobicContact CG-CG 4.35Å; W179-E183 HydrophobicContact CH2-CB 4.35Å; W179-E183 HydrophobicContact CH2-CG 3.9Å; W179-E183 HydrophobicContact CZ2-CB 3.87Å; W179-E183 HydrophobicContact CZ2-CG 3.93Å; W179-E183 HydrophobicContact CZ3-CG 3.74Å; W179-E183 WeakPolarHBondContact O-CB 3.47Å; W179-E183 PolarHBondContact O-N 2.85Å |
| 184 | I | 96.9 | Very high | 97.3 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -88.8 | -29.9 | 178 | -46 | -177.9 | 0 | 0 | 0 | 111.5 | Y133 W179 M180 L186 | Y133-I184 HydrophobicContact CD1-CD1 3.54Å; Y133-I184 HydrophobicContact CD1-CG1 3.94Å; Y133-I184 HydrophobicContact CD1-CG2 4.43Å; Y133-I184 HydrophobicContact CD2-CG1 4Å; Y133-I184 HydrophobicContact CD2-CG2 4.19Å; Y133-I184 HydrophobicContact CE1-CD1 3.59Å; Y133-I184 HydrophobicContact CE1-CG1 3.88Å; Y133-I184 HydrophobicContact CE2-CG1 3.95Å; Y133-I184 HydrophobicContact CG-CD1 4.06Å; Y133-I184 HydrophobicContact CG-CG1 4.02Å; Y133-I184 HydrophobicContact CG-CG2 3.94Å; W179-I184 PolarHBondContact O-N 3.21Å; W179-I184 VanDerWaalsContact O-N 3.15Å; M180-I184 HydrophobicContact CG-CD1 4.17Å; I184-L186 HydrophobicContact CB-CD1 4.3Å; I184-L186 HydrophobicContact CB-CD2 4.36Å; I184-L186 HydrophobicContact CB-CG 3.91Å; I184-L186 HydrophobicContact CD1-CD1 4.44Å; I184-L186 HydrophobicContact CG2-CD1 3.98Å; I184-L186 HydrophobicContact CG2-CD2 3.59Å; I184-L186 HydrophobicContact CG2-CG 3.65Å |
| 185 | G | 97.2 | Very high | 97.2 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | trans | 73.7 | 44 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R129 M180 | R129-G185 PolarHBondContact NH1-O 3.01Å; M180-G185 PolarHBondContact O-N 3.35Å | ||
| 186 | L | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | trans | -90.2 | 149.4 | 176.7 | -52.3 | -176 | 0 | 0 | 0 | 111.2 | S126 R129 A130 M180 I184 Y190 I191 | S126-L186 WeakPolarHBondContact O-CD2 3.14Å; R129-L186 HydrophobicContact CB-CD2 3.96Å; A130-L186 HydrophobicContact CB-CD1 4.02Å; A130-L186 HydrophobicContact CB-CD2 4.05Å; M180-L186 HydrophobicContact CB-CB 4.48Å; M180-L186 HydrophobicContact CB-CD1 4.01Å; M180-L186 HydrophobicContact CB-CG 4.44Å; M180-L186 HydrophobicContact CG-CD1 3.95Å; M180-L186 PolarHBondContact O-N 2.88Å; M180-L186 HydrophobicContact SD-CD1 4.1Å; I184-L186 HydrophobicContact CB-CD1 4.3Å; I184-L186 HydrophobicContact CB-CD2 4.36Å; I184-L186 HydrophobicContact CB-CG 3.91Å; I184-L186 HydrophobicContact CD1-CD1 4.44Å; I184-L186 HydrophobicContact CG2-CD1 3.98Å; I184-L186 HydrophobicContact CG2-CD2 3.59Å; I184-L186 HydrophobicContact CG2-CG 3.65Å; L186-Y190 HydrophobicContact CB-CD1 4.29Å; L186-Y190 HydrophobicContact CD1-CD1 3.46Å; L186-Y190 VanDerWaalsContact CD1-CD1 3.46Å; L186-Y190 HydrophobicContact CD1-CE1 3.49Å; L186-Y190 VanDerWaalsContact CD1-CE1 3.49Å; L186-Y190 HydrophobicContact CD1-CG 4.29Å; L186-Y190 HydrophobicContact CG-CD1 4.4Å; L186-I191 HydrophobicContact CB-CD1 4.4Å; L186-I191 HydrophobicContact CB-CG1 4.19Å; L186-I191 WeakPolarHBondContact O-CD1 3.48Å | ||
| 187 | N | 96.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | trans | -76.6 | 161.9 | 176.3 | 64.2 | 31.6 | 0 | 0 | 0 | 112.7 | Y123 S126 N189 Y190 I191 | Y123-N187 PolarHBondContact O-ND2 3.18Å; S126-N187 PolarHBondContact OG-N 3.33Å; S126-N187 VanDerWaalsContact OG-N 3.12Å; S126-N187 PolarHBondContact OG-ND2 3.48Å; N187-N189 VanDerWaalsContact C-N 3.3Å; N187-N189 PolarHBondContact O-N 2.97Å; N187-Y190 PolarHBondContact O-N 2.96Å; N187-Y190 WeakPolarHBondContact OD1-CB 3.47Å; N187-Y190 PolarHBondContact OD1-N 3.43Å; N187-I191 WeakPolarHBondContact O-CG1 3.5Å; N187-I191 PolarHBondContact O-N 2.84Å; N187-I191 VanDerWaalsContact O-N 3.12Å | ||
| 188 | E | 96.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.4 | -38 | -178.8 | -66.2 | -53.4 | 129.6 | 0 | 0 | 112.9 | R181 Y190 I191 N192 | R181-E188 IonicContact CZ-OE1 2.85Å; R181-E188 VanDerWaalsContact CZ-OE1 3.32Å; R181-E188 IonicContact CZ-OE2 3.45Å; R181-E188 IonicContact NE-OE1 3.64Å; R181-E188 PolarHBondContact NE-OE1 3.37Å; R181-E188 IonicContact NE-OE2 3.98Å; R181-E188 VanDerWaalsContact NH2-CD 3.34Å; R181-E188 IonicContact NH2-OE1 2.75Å; R181-E188 PolarHBondContact NH2-OE1 2.85Å; R181-E188 VanDerWaalsContact NH2-OE1 3.11Å; R181-E188 IonicContact NH2-OE2 3.23Å; R181-E188 PolarHBondContact NH2-OE2 3.13Å; E188-Y190 VanDerWaalsContact C-N 3.35Å; E188-Y190 PolarHBondContact O-N 3.5Å; E188-I191 PolarHBondContact O-N 3.37Å; E188-N192 WeakPolarHBondContact O-CB 3.5Å; E188-N192 PolarHBondContact O-N 2.7Å; E188-N192 PolarHBondContact O-ND2 3.32Å; E188-N192 PolarHBondContact OE2-ND2 3.17Å |
| 189 | N | 96.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 177.5 | -66.5 | 1.9 | 0 | 0 | 0 | 111.4 | Y123 N187 E193 | Y123-N189 HydrophobicContact CD1-CB 4.31Å; Y123-N189 HydrophobicContact CE1-CB 4.4Å; N187-N189 VanDerWaalsContact C-N 3.3Å; N187-N189 PolarHBondContact O-N 2.97Å; N189-E193 WeakPolarHBondContact O-CB 3.41Å; N189-E193 WeakPolarHBondContact O-CG 3.38Å; N189-E193 PolarHBondContact O-N 3.42Å; N189-E193 VanDerWaalsContact O-N 3.13Å |
| 190 | Y | 97.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.4 | -174.2 | -78.3 | 0 | 0 | 0 | 111.2 | Y123 L127 A130 M180 L186 N187 E188 L194 G195 | Y123-Y190 HydrophobicContact CD1-CD2 4.2Å; Y123-Y190 HydrophobicContact CG-CD2 4.04Å; L127-Y190 HydrophobicContact CD1-CE2 4.27Å; A130-Y190 HydrophobicContact CB-CE1 4.17Å; A130-Y190 HydrophobicContact CB-CE2 4.03Å; A130-Y190 WeakPolarHBondContact CB-OH 3.05Å; M180-Y190 HydrophobicContact SD-CD1 4.29Å; M180-Y190 HydrophobicContact SD-CE1 4.19Å; L186-Y190 HydrophobicContact CB-CD1 4.29Å; L186-Y190 HydrophobicContact CD1-CD1 3.46Å; L186-Y190 VanDerWaalsContact CD1-CD1 3.46Å; L186-Y190 HydrophobicContact CD1-CE1 3.49Å; L186-Y190 VanDerWaalsContact CD1-CE1 3.49Å; L186-Y190 HydrophobicContact CD1-CG 4.29Å; L186-Y190 HydrophobicContact CG-CD1 4.4Å; N187-Y190 PolarHBondContact O-N 2.96Å; N187-Y190 WeakPolarHBondContact OD1-CB 3.47Å; N187-Y190 PolarHBondContact OD1-N 3.43Å; E188-Y190 VanDerWaalsContact C-N 3.35Å; E188-Y190 PolarHBondContact O-N 3.5Å; Y190-L194 HydrophobicContact CD2-CB 4.45Å; Y190-L194 HydrophobicContact CD2-CD1 3.95Å; Y190-L194 HydrophobicContact CE2-CB 4.3Å; Y190-L194 HydrophobicContact CE2-CD1 3.71Å; Y190-L194 PolarHBondContact O-N 3.46Å; Y190-L194 VanDerWaalsContact O-N 3.17Å; Y190-G195 PolarHBondContact O-N 2.9Å |
| 191 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -62.3 | -48.9 | -176.8 | -70 | 167.9 | 0 | 0 | 0 | 111.2 | A177 M180 R181 L186 N187 E188 E193 F196 | A177-I191 HydrophobicContact CB-CG2 4.05Å; M180-I191 HydrophobicContact CB-CD1 4.07Å; M180-I191 HydrophobicContact CB-CG1 3.75Å; M180-I191 HydrophobicContact CE-CB 4.21Å; M180-I191 HydrophobicContact CE-CG1 4.12Å; M180-I191 HydrophobicContact CE-CG2 3.88Å; M180-I191 HydrophobicContact SD-CG1 4.2Å; R181-I191 HydrophobicContact CB-CD1 3.83Å; R181-I191 HydrophobicContact CG-CD1 4.47Å; L186-I191 HydrophobicContact CB-CD1 4.4Å; L186-I191 HydrophobicContact CB-CG1 4.19Å; L186-I191 WeakPolarHBondContact O-CD1 3.48Å; N187-I191 WeakPolarHBondContact O-CG1 3.5Å; N187-I191 PolarHBondContact O-N 2.84Å; N187-I191 VanDerWaalsContact O-N 3.12Å; E188-I191 PolarHBondContact O-N 3.37Å; I191-E193 VanDerWaalsContact C-N 3.35Å; I191-F196 PolarHBondContact O-N 3.41Å |
| 192 | N | 96.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | I | π-helix | trans | -82 | -14.1 | -171.7 | -68.6 | -29.2 | 0 | 0 | 0 | 113.1 | E188 I352 S353 | E188-N192 WeakPolarHBondContact O-CB 3.5Å; E188-N192 PolarHBondContact O-N 2.7Å; E188-N192 PolarHBondContact O-ND2 3.32Å; E188-N192 PolarHBondContact OE2-ND2 3.17Å; N192-I352 WeakPolarHBondContact O-CB 3.24Å; N192-S353 VanDerWaalsContact CB-OG 3.29Å; N192-S353 WeakPolarHBondContact CB-OG 3.33Å; N192-S353 PolarHBondContact O-N 2.9Å; N192-S353 PolarHBondContact O-OG 3.38Å |
| 193 | E | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -114.8 | -76.3 | -178.2 | -53.5 | 177 | -166.6 | 0 | 0 | 112.2 | L95 R122 Y123 N189 I191 G197 I352 | L95-E193 HydrophobicContact CD1-CB 3.92Å; R122-E193 IonicContact CZ-OE1 2.91Å; R122-E193 IonicContact CZ-OE2 3.79Å; R122-E193 IonicContact NE-OE1 3.72Å; R122-E193 IonicContact NE-OE2 2.95Å; R122-E193 PolarHBondContact NE-OE2 3.19Å; R122-E193 IonicContact NH2-OE1 3.15Å; R122-E193 PolarHBondContact NH2-OE1 2.96Å; R122-E193 IonicContact NH2-OE2 3.01Å; R122-E193 PolarHBondContact NH2-OE2 3.39Å; Y123-E193 HydrophobicContact CE1-CB 4.35Å; Y123-E193 PolarHBondContact OH-OE2 3.1Å; N189-E193 WeakPolarHBondContact O-CB 3.41Å; N189-E193 WeakPolarHBondContact O-CG 3.38Å; N189-E193 PolarHBondContact O-N 3.42Å; N189-E193 VanDerWaalsContact O-N 3.13Å; I191-E193 VanDerWaalsContact C-N 3.35Å; E193-G197 PolarHBondContact O-N 3.04Å; E193-I352 HydrophobicContact CB-CB 4.49Å; E193-I352 HydrophobicContact CB-CG2 3.88Å; E193-I352 HydrophobicContact CG-CB 4.26Å; E193-I352 HydrophobicContact CG-CG2 3.87Å |
| 194 | L | 95.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -65.7 | -50.8 | -179.8 | -72.8 | -179.7 | 0 | 0 | 0 | 111.8 | L93 L95 Y123 Y190 F196 G197 I198 | L93-L194 HydrophobicContact CD2-CD2 3.7Å; L95-L194 HydrophobicContact CD1-CD2 3.95Å; L95-L194 HydrophobicContact CD1-CG 4.43Å; L95-L194 HydrophobicContact CD2-CD2 4.45Å; Y123-L194 HydrophobicContact CD2-CD1 3.59Å; Y123-L194 HydrophobicContact CD2-CG 4.38Å; Y123-L194 HydrophobicContact CE1-CD1 4.36Å; Y123-L194 HydrophobicContact CE1-CG 4.24Å; Y123-L194 HydrophobicContact CE2-CD1 3.28Å; Y123-L194 HydrophobicContact CE2-CD2 4.34Å; Y123-L194 HydrophobicContact CE2-CG 3.65Å; Y123-L194 HydrophobicContact CG-CD1 4.28Å; Y190-L194 HydrophobicContact CD2-CB 4.45Å; Y190-L194 HydrophobicContact CD2-CD1 3.95Å; Y190-L194 HydrophobicContact CE2-CB 4.3Å; Y190-L194 HydrophobicContact CE2-CD1 3.71Å; Y190-L194 PolarHBondContact O-N 3.46Å; Y190-L194 VanDerWaalsContact O-N 3.17Å; L194-F196 VanDerWaalsContact C-N 3.31Å; L194-F196 PolarHBondContact O-N 2.88Å; L194-G197 PolarHBondContact O-N 3Å; L194-I198 HydrophobicContact CB-CD1 4.28Å; L194-I198 WeakPolarHBondContact O-CB 3.42Å; L194-I198 VanDerWaalsContact O-CD1 3.27Å; L194-I198 WeakPolarHBondContact O-CD1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.25Å; L194-I198 PolarHBondContact O-N 2.92Å |
| 195 | G | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -59 | -43.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y190 L199 | Y190-G195 PolarHBondContact O-N 2.9Å; G195-L199 PolarHBondContact O-N 3.35Å |
| 196 | F | 96.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -54.1 | 174.2 | -175.1 | -85.6 | 0 | 0 | 0 | 112.1 | I191 L194 I198 L199 S200 N206 P351 I352 Y356 | I191-F196 PolarHBondContact O-N 3.41Å; L194-F196 VanDerWaalsContact C-N 3.31Å; L194-F196 PolarHBondContact O-N 2.88Å; F196-I198 VanDerWaalsContact C-N 3.34Å; F196-I198 PolarHBondContact O-N 3.4Å; F196-L199 PolarHBondContact O-N 2.85Å; F196-S200 WeakPolarHBondContact O-CB 3.41Å; F196-S200 PolarHBondContact O-N 2.88Å; F196-N206 HydrophobicContact CE2-CB 3.83Å; F196-P351 WeakPolarHBondContact CD1-O 3.33Å; F196-P351 HydrophobicContact CE1-CB 4.47Å; F196-P351 HydrophobicContact CE1-CG 4.28Å; F196-I352 VanDerWaalsContact CD1-C 3.44Å; F196-I352 WeakPolarHBondContact CE1-O 3.19Å; F196-Y356 AromaticContact CE1-CD2 3.64Å; F196-Y356 HydrophobicContact CE1-CD2 3.64Å; F196-Y356 HydrophobicContact CE1-CE2 4.06Å; F196-Y356 AromaticContact CZ-CD2 3.42Å; F196-Y356 HydrophobicContact CZ-CD2 3.42Å; F196-Y356 VanDerWaalsContact CZ-CD2 3.42Å; F196-Y356 HydrophobicContact CZ-CE2 4.12Å; F196-Y356 HydrophobicContact CZ-CG 4.03Å |
| 197 | G | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | E193 L194 S200 S201 P351 | E193-G197 PolarHBondContact O-N 3.04Å; L194-G197 PolarHBondContact O-N 3Å; G197-S200 PolarHBondContact O-N 3.13Å; G197-S201 WeakPolarHBondContact O-CB 3.42Å; G197-S201 PolarHBondContact O-N 3.15Å; G197-P351 VanDerWaalsContact CA-O 3.28Å; G197-P351 WeakPolarHBondContact CA-O 3.31Å |
| 198 | I | 95.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 8% | 0.082 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 178.4 | -66.3 | 159.7 | 0 | 0 | 0 | 111.1 | L194 F196 S201 N202 S218 T222 | L194-I198 HydrophobicContact CB-CD1 4.28Å; L194-I198 WeakPolarHBondContact O-CB 3.42Å; L194-I198 VanDerWaalsContact O-CD1 3.27Å; L194-I198 WeakPolarHBondContact O-CD1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.25Å; L194-I198 PolarHBondContact O-N 2.92Å; F196-I198 VanDerWaalsContact C-N 3.34Å; F196-I198 PolarHBondContact O-N 3.4Å; I198-S201 PolarHBondContact O-N 2.86Å; I198-N202 PolarHBondContact O-N 3.18Å; I198-N202 PolarHBondContact O-ND2 2.83Å; I198-S218 WeakPolarHBondContact CG2-O 3.27Å; I198-S218 PolarHBondContact O-OG 2.87Å; I198-T222 HydrophobicContact CD1-CG2 3.45Å; I198-T222 VanDerWaalsContact CD1-CG2 3.45Å; I198-T222 HydrophobicContact CG1-CG2 4.33Å |
| 199 | L | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 177.3 | -177.4 | 59.9 | 0 | 0 | 0 | 111.9 | Y176 G195 F196 S201 N202 Y203 C204 S207 A210 | Y176-L199 HydrophobicContact CD1-CD2 4.05Å; G195-L199 PolarHBondContact O-N 3.35Å; F196-L199 PolarHBondContact O-N 2.85Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.43Å; L199-N202 PolarHBondContact O-N 3.06Å; L199-Y203 HydrophobicContact CD1-CD2 3.83Å; L199-Y203 HydrophobicContact CD1-CG 4.28Å; L199-Y203 PolarHBondContact O-N 3.28Å; L199-C204 PolarHBondContact O-N 3.46Å; L199-S207 VanDerWaalsContact CD2-CA 3.48Å; L199-A210 HydrophobicContact CD2-CB 3.77Å |
| 200 | S | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 173 | 179 | 0 | 0 | 0 | 0 | 111.1 | F196 G197 C204 Q205 R364 | F196-S200 WeakPolarHBondContact O-CB 3.41Å; F196-S200 PolarHBondContact O-N 2.88Å; G197-S200 PolarHBondContact O-N 3.13Å; S200-C204 WeakPolarHBondContact O-CA 3.3Å; S200-C204 PolarHBondContact O-N 3.29Å; S200-Q205 PolarHBondContact N-O 3.25Å; S200-R364 WeakPolarHBondContact OG-CD 3.49Å; S200-R364 PolarHBondContact OG-O 3.01Å |
| 201 | S | 92.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 13% | 0.126 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 179.4 | -166.4 | 0 | 0 | 0 | 0 | 113.4 | G197 I198 L199 | G197-S201 WeakPolarHBondContact O-CB 3.42Å; G197-S201 PolarHBondContact O-N 3.15Å; I198-S201 PolarHBondContact O-N 2.86Å; L199-S201 VanDerWaalsContact C-N 3.33Å; L199-S201 PolarHBondContact O-N 3.43Å |
| 202 | N | 92.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 18.8 Ų | 18.8 | 32% | 0.316 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -89.1 | -34.8 | -169.3 | -70.1 | -22.8 | 0 | 0 | 0 | 113.5 | I198 L199 S218 Y422 | I198-N202 PolarHBondContact O-N 3.18Å; I198-N202 PolarHBondContact O-ND2 2.83Å; L199-N202 PolarHBondContact O-N 3.06Å; N202-S218 VanDerWaalsContact CB-OG 3.32Å; N202-S218 WeakPolarHBondContact CB-OG 3.41Å; N202-S218 PolarHBondContact ND2-O 2.92Å; N202-S218 PolarHBondContact ND2-OG 3.4Å; N202-Y422 WeakPolarHBondContact O-CE2 3.31Å |
| 203 | Y | 92.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 4% | 0.043 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -123.7 | -0.8 | -175.1 | -74 | -74.4 | 0 | 0 | 0 | 114 | L199 Q205 V214 Y422 Y425 S455 | L199-Y203 HydrophobicContact CD1-CD2 3.83Å; L199-Y203 HydrophobicContact CD1-CG 4.28Å; L199-Y203 PolarHBondContact O-N 3.28Å; Y203-Q205 WeakPolarHBondContact O-CG 3.27Å; Y203-Q205 PolarHBondContact O-N 3.19Å; Y203-Q205 PolarHBondContact O-NE2 3.12Å; Y203-V214 HydrophobicContact CD1-CG2 3.99Å; Y203-V214 HydrophobicContact CD2-CG2 3.54Å; Y203-V214 HydrophobicContact CE1-CG2 3.89Å; Y203-V214 HydrophobicContact CE2-CG2 3.43Å; Y203-V214 VanDerWaalsContact CE2-CG2 3.43Å; Y203-V214 HydrophobicContact CG-CG2 3.79Å; Y203-Y422 HydrophobicContact CD1-CD1 4.39Å; Y203-Y422 HydrophobicContact CD1-CD2 4Å; Y203-Y422 HydrophobicContact CD1-CE2 4.35Å; Y203-Y422 HydrophobicContact CD1-CG 4.02Å; Y203-Y422 HydrophobicContact CE1-CD1 4.47Å; Y203-Y425 AromaticContact CD1-CE2 3.53Å; Y203-Y425 HydrophobicContact CD1-CE2 3.53Å; Y203-Y425 AromaticContact CD1-CZ 3.94Å; Y203-Y425 HydrophobicContact CE1-CE2 4.11Å; Y203-Y425 VanDerWaalsContact CE1-OH 3.32Å; Y203-Y425 WeakPolarHBondContact CE1-OH 3.01Å; Y203-Y425 HydrophobicContact CG-CE2 4.07Å; Y203-S455 VanDerWaalsContact CE1-O 3.28Å; Y203-S455 WeakPolarHBondContact CE1-O 3.38Å; Y203-S455 PolarHBondContact OH-N 2.87Å; Y203-S455 PolarHBondContact OH-O 2.86Å |
| 204 | C | 93.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 3% | 0.034 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 57.5 | 35.2 | 177.5 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | L199 S200 M320 R364 | L199-C204 PolarHBondContact O-N 3.46Å; S200-C204 WeakPolarHBondContact O-CA 3.3Å; S200-C204 PolarHBondContact O-N 3.29Å; C204-M320 HydrophobicContact CB-CE 3.42Å; C204-M320 VanDerWaalsContact CB-CE 3.42Å; C204-M320 HydrophobicContact CB-CG 4.28Å; C204-M320 HydrophobicContact CB-SD 3.47Å; C204-M320 WeakPolarHBondContact CB-SD 3.5Å; C204-M320 WeakPolarHBondContact SG-CE 3.44Å; C204-R364 VanDerWaalsContact C-CZ 3.46Å; C204-R364 VanDerWaalsContact C-NE 3.35Å; C204-R364 HydrophobicContact CB-CB 4.45Å; C204-R364 HydrophobicContact CB-CG 3.8Å; C204-R364 PolarHBondContact O-NE 3.49Å; C204-R364 PolarHBondContact O-NH2 2.84Å |
| 205 | Q | 93 | Very high | 95.5 | Very high | 12 Ų | 12 | 15.1 Ų | 15.1 | 6% | 0.056 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -139.2 | 163.3 | -174.7 | -74.3 | 177.8 | 68.7 | 0 | 0 | 110.9 | S200 Y203 P423 | S200-Q205 PolarHBondContact N-O 3.25Å; Y203-Q205 WeakPolarHBondContact O-CG 3.27Å; Y203-Q205 PolarHBondContact O-N 3.19Å; Y203-Q205 PolarHBondContact O-NE2 3.12Å; Q205-P423 PolarHBondContact NE2-O 3.24Å |
| 206 | N | 94 | Very high | 95.5 | Very high | 35 Ų | 35 | 15.4 Ų | 15.4 | 19% | 0.187 | 9% | 0.091 | C | C | . | . | trans | -91.8 | 142.1 | -174 | -55.6 | -25 | 0 | 0 | 0 | 111 | F196 A208 D209 A210 R364 | F196-N206 HydrophobicContact CE2-CB 3.83Å; N206-A208 PolarHBondContact O-N 3.22Å; N206-D209 HydrophobicContact CB-CB 4.44Å; N206-D209 WeakPolarHBondContact CB-OD2 3.39Å; N206-D209 PolarHBondContact ND2-OD2 3.29Å; N206-D209 PolarHBondContact O-N 2.93Å; N206-D209 VanDerWaalsContact O-N 3.08Å; N206-A210 PolarHBondContact O-N 2.87Å; N206-R364 PolarHBondContact OD1-NH1 3.45Å | ||
| 207 | S | 94.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.7 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | Y176 A177 L199 D209 | Y176-S207 PolarHBondContact N-O 2.62Å; A177-S207 WeakPolarHBondContact CB-O 3.45Å; A177-S207 PolarHBondContact N-O 3.12Å; L199-S207 VanDerWaalsContact CD2-CA 3.48Å; S207-D209 VanDerWaalsContact C-N 3.35Å |
| 208 | A | 94.5 | Very high | 95.4 | Very high | 60 Ų | 60 | 17.2 Ų | 17.2 | 50% | 0.496 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T175 N206 | T175-A208 WeakPolarHBondContact CG2-O 3.46Å; N206-A208 PolarHBondContact O-N 3.22Å |
| 209 | D | 95.3 | Very high | 95.5 | Very high | 89 Ų | 89 | 16.4 Ų | 16.4 | 48% | 0.476 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -44.5 | -177 | -58.9 | -47 | 0 | 0 | 0 | 111.1 | N206 S207 H426 P427 | N206-D209 HydrophobicContact CB-CB 4.44Å; N206-D209 WeakPolarHBondContact CB-OD2 3.39Å; N206-D209 PolarHBondContact ND2-OD2 3.29Å; N206-D209 PolarHBondContact O-N 2.93Å; N206-D209 VanDerWaalsContact O-N 3.08Å; S207-D209 VanDerWaalsContact C-N 3.35Å; D209-H426 WeakPolarHBondContact O-CA 3.19Å; D209-P427 VanDerWaalsContact O-CD 3.24Å; D209-P427 WeakPolarHBondContact O-CD 3.12Å |
| 210 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -72 | 140.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T175 Y176 L199 N206 V214 | T175-A210 CarbonylContact C-O 3.54Å; T175-A210 WeakPolarHBondContact CA-O 3.42Å; Y176-A210 PolarHBondContact N-O 2.86Å; L199-A210 HydrophobicContact CD2-CB 3.77Å; N206-A210 PolarHBondContact O-N 2.87Å; A210-V214 HydrophobicContact CB-CG1 3.9Å |
| 211 | H | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -65.2 | 156.2 | 177.4 | 67 | 75.7 | 0 | 0 | 0 | 112.3 | T172 C174 F213 V214 Y425 H426 S452 T453 | T172-H211 WeakPolarHBondContact O-CB 3.45Å; C174-H211 CarbonylContact O-C 3.56Å; C174-H211 WeakPolarHBondContact O-CA 3.28Å; H211-F213 VanDerWaalsContact C-N 3.34Å; H211-F213 PolarHBondContact ND1-N 2.67Å; H211-F213 PolarHBondContact O-N 2.75Å; H211-V214 PolarHBondContact CE1-N 3.42Å; H211-V214 WeakPolarHBondContact O-CG1 3.14Å; H211-V214 PolarHBondContact O-N 3.09Å; H211-Y425 AromaticContact NE2-CD1 3.47Å; H211-Y425 WeakPolarHBondContact NE2-CD1 3.42Å; H211-H426 PolarHBondContact CD2-O 3.37Å; H211-S452 PolarHBondContact NE2-O 3.24Å; H211-T453 PolarHBondContact CE1-O 3.37Å |
| 212 | A | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.7 | -33.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | M171 C174 Y176 W179 V214 G215 V216 | M171-A212 HydrophobicContact CB-CB 4.06Å; M171-A212 HydrophobicContact CG-CB 4.37Å; M171-A212 WeakPolarHBondContact O-CA 3.41Å; M171-A212 VanDerWaalsContact O-CB 3.26Å; M171-A212 WeakPolarHBondContact O-CB 3.34Å; M171-A212 PolarHBondContact O-N 2.98Å; C174-A212 PolarHBondContact O-N 2.99Å; Y176-A212 HydrophobicContact CD2-CB 4.31Å; W179-A212 HydrophobicContact CB-CB 3.26Å; W179-A212 HydrophobicContact CD2-CB 4.07Å; W179-A212 HydrophobicContact CE3-CB 4.47Å; W179-A212 HydrophobicContact CG-CB 3.53Å; A212-V214 PolarHBondContact O-N 3.25Å; A212-G215 WeakPolarHBondContact O-CA 3.2Å; A212-G215 PolarHBondContact O-N 3.41Å; A212-G215 VanDerWaalsContact O-N 3.09Å; A212-V216 WeakPolarHBondContact O-CG2 3.48Å; A212-V216 PolarHBondContact O-N 2.68Å |
| 213 | F | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | -177.7 | -174.4 | -93.9 | 0 | 0 | 0 | 112 | F141 L161 F168 M171 T172 H211 G215 V216 I217 T453 A454 M459 | F141-F213 HydrophobicContact CD2-CZ 4.05Å; F141-F213 AromaticContact CE2-CZ 3.92Å; F141-F213 HydrophobicContact CE2-CZ 3.92Å; L161-F213 HydrophobicContact CD1-CD1 4.46Å; L161-F213 HydrophobicContact CD1-CD2 4.48Å; L161-F213 HydrophobicContact CD1-CE1 4.49Å; L161-F213 HydrophobicContact CD1-CG 4.46Å; L161-F213 HydrophobicContact CD2-CD2 4.46Å; L161-F213 HydrophobicContact CD2-CE1 3.91Å; L161-F213 HydrophobicContact CD2-CE2 3.72Å; L161-F213 HydrophobicContact CD2-CZ 3.4Å; F168-F213 HydrophobicContact CB-CD2 3.93Å; F168-F213 HydrophobicContact CB-CE2 3.82Å; F168-F213 AromaticContact CD1-CD2 3.92Å; F168-F213 HydrophobicContact CD1-CD2 3.92Å; F168-F213 AromaticContact CD1-CE2 3.65Å; F168-F213 HydrophobicContact CD1-CE2 3.65Å; F168-F213 AromaticContact CD2-CE2 3.88Å; F168-F213 HydrophobicContact CD2-CE2 3.88Å; F168-F213 HydrophobicContact CE1-CE2 4.1Å; F168-F213 HydrophobicContact CE2-CE2 4.33Å; F168-F213 AromaticContact CG-CD2 3.99Å; F168-F213 HydrophobicContact CG-CD2 3.99Å; F168-F213 AromaticContact CG-CE2 3.53Å; F168-F213 HydrophobicContact CG-CE2 3.53Å; F168-F213 HydrophobicContact CZ-CE2 4.44Å; M171-F213 HydrophobicContact CB-CB 3.83Å; M171-F213 PolarHBondContact O-N 2.98Å; M171-F213 HydrophobicContact SD-CD2 4.2Å; T172-F213 HydrophobicContact CG2-CB 3.84Å; T172-F213 HydrophobicContact CG2-CG 4.46Å; H211-F213 VanDerWaalsContact C-N 3.34Å; H211-F213 PolarHBondContact ND1-N 2.67Å; H211-F213 PolarHBondContact O-N 2.75Å; F213-G215 VanDerWaalsContact C-N 3.28Å; F213-G215 PolarHBondContact O-N 2.76Å; F213-V216 PolarHBondContact O-N 2.97Å; F213-I217 HydrophobicContact CD1-CG1 4.07Å; F213-I217 HydrophobicContact CE1-CD1 4.15Å; F213-I217 HydrophobicContact CE1-CG1 3.64Å; F213-I217 HydrophobicContact CZ-CD1 3.93Å; F213-I217 HydrophobicContact CZ-CG1 3.91Å; F213-I217 WeakPolarHBondContact O-CG1 3.44Å; F213-I217 PolarHBondContact O-N 2.91Å; F213-T453 WeakPolarHBondContact CD1-O 3.49Å; F213-A454 HydrophobicContact CE1-CB 4.37Å; F213-M459 HydrophobicContact CE1-CE 4.16Å |
| 214 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 176.3 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | Y203 A210 H211 A212 I217 S218 Y425 T453 A454 | Y203-V214 HydrophobicContact CD1-CG2 3.99Å; Y203-V214 HydrophobicContact CD2-CG2 3.54Å; Y203-V214 HydrophobicContact CE1-CG2 3.89Å; Y203-V214 HydrophobicContact CE2-CG2 3.43Å; Y203-V214 VanDerWaalsContact CE2-CG2 3.43Å; Y203-V214 HydrophobicContact CG-CG2 3.79Å; A210-V214 HydrophobicContact CB-CG1 3.9Å; H211-V214 PolarHBondContact CE1-N 3.42Å; H211-V214 WeakPolarHBondContact O-CG1 3.14Å; H211-V214 PolarHBondContact O-N 3.09Å; A212-V214 PolarHBondContact O-N 3.25Å; V214-I217 PolarHBondContact O-N 3.47Å; V214-S218 VanDerWaalsContact O-CB 3.24Å; V214-S218 WeakPolarHBondContact O-CB 3.41Å; V214-S218 PolarHBondContact O-N 3.37Å; V214-Y425 HydrophobicContact CB-CD1 4.21Å; V214-Y425 HydrophobicContact CB-CD2 4.48Å; V214-Y425 HydrophobicContact CB-CE1 4.32Å; V214-Y425 HydrophobicContact CB-CG 4.29Å; V214-Y425 HydrophobicContact CG1-CD1 4.09Å; V214-Y425 HydrophobicContact CG1-CD2 4.08Å; V214-Y425 HydrophobicContact CG1-CG 3.78Å; V214-Y425 HydrophobicContact CG2-CD1 4.34Å; V214-Y425 HydrophobicContact CG2-CD2 4.01Å; V214-Y425 HydrophobicContact CG2-CE1 4.11Å; V214-Y425 HydrophobicContact CG2-CE2 3.83Å; V214-Y425 HydrophobicContact CG2-CG 4.29Å; V214-T453 WeakPolarHBondContact CB-O 3.46Å; V214-A454 HydrophobicContact CB-CB 4.47Å; V214-A454 HydrophobicContact CG2-CB 4.26Å |
| 215 | G | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A212 F213 S218 S219 | A212-G215 WeakPolarHBondContact O-CA 3.2Å; A212-G215 PolarHBondContact O-N 3.41Å; A212-G215 VanDerWaalsContact O-N 3.09Å; F213-G215 VanDerWaalsContact C-N 3.28Å; F213-G215 PolarHBondContact O-N 2.76Å; G215-S218 WeakPolarHBondContact O-CB 3.18Å; G215-S218 PolarHBondContact O-N 3.45Å; G215-S219 WeakPolarHBondContact O-CB 3.28Å; G215-S219 PolarHBondContact O-N 3.3Å; G215-S219 PolarHBondContact O-OG 3.05Å |
| 216 | V | 97.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | 174.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | Y133 L134 R137 M171 Y176 A212 F213 S218 S219 A220 | Y133-V216 HydrophobicContact CE1-CG2 4.27Å; L134-V216 HydrophobicContact CD2-CG1 4.1Å; R137-V216 HydrophobicContact CB-CG1 4.13Å; R137-V216 HydrophobicContact CG-CG1 4.42Å; M171-V216 HydrophobicContact SD-CB 4.41Å; M171-V216 HydrophobicContact SD-CG2 3.99Å; Y176-V216 HydrophobicContact CE2-CG2 4.09Å; A212-V216 WeakPolarHBondContact O-CG2 3.48Å; A212-V216 PolarHBondContact O-N 2.68Å; F213-V216 PolarHBondContact O-N 2.97Å; V216-S218 VanDerWaalsContact C-N 3.34Å; V216-S218 PolarHBondContact O-N 2.88Å; V216-S219 PolarHBondContact O-N 3.4Å; V216-A220 PolarHBondContact O-N 3.44Å |
| 217 | I | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.195 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 174.6 | -65.4 | -60.9 | 0 | 0 | 0 | 111 | F141 F213 V214 S219 A220 A454 | F141-I217 HydrophobicContact CD2-CD1 4.33Å; F141-I217 HydrophobicContact CE2-CD1 4.47Å; F213-I217 HydrophobicContact CD1-CG1 4.07Å; F213-I217 HydrophobicContact CE1-CD1 4.15Å; F213-I217 HydrophobicContact CE1-CG1 3.64Å; F213-I217 HydrophobicContact CZ-CD1 3.93Å; F213-I217 HydrophobicContact CZ-CG1 3.91Å; F213-I217 WeakPolarHBondContact O-CG1 3.44Å; F213-I217 PolarHBondContact O-N 2.91Å; V214-I217 PolarHBondContact O-N 3.47Å; I217-S219 VanDerWaalsContact C-N 3.27Å; I217-S219 PolarHBondContact O-N 3.2Å; I217-A220 WeakPolarHBondContact O-CB 3.25Å; I217-A220 PolarHBondContact O-N 3.21Å; I217-A454 HydrophobicContact CB-CB 4.05Å; I217-A454 HydrophobicContact CG1-CB 4.04Å; I217-A454 HydrophobicContact CG2-CB 3.9Å |
| 218 | S | 95.4 | Very high | 93.8 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.035 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.6 | -40.9 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 112 | I198 N202 V214 G215 V216 A220 C221 | I198-S218 WeakPolarHBondContact CG2-O 3.27Å; I198-S218 PolarHBondContact O-OG 2.87Å; N202-S218 VanDerWaalsContact CB-OG 3.32Å; N202-S218 WeakPolarHBondContact CB-OG 3.41Å; N202-S218 PolarHBondContact ND2-O 2.92Å; N202-S218 PolarHBondContact ND2-OG 3.4Å; V214-S218 VanDerWaalsContact O-CB 3.24Å; V214-S218 WeakPolarHBondContact O-CB 3.41Å; V214-S218 PolarHBondContact O-N 3.37Å; G215-S218 WeakPolarHBondContact O-CB 3.18Å; G215-S218 PolarHBondContact O-N 3.45Å; V216-S218 VanDerWaalsContact C-N 3.34Å; V216-S218 PolarHBondContact O-N 2.88Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.48Å; S218-C221 PolarHBondContact O-SG 2.95Å |
| 219 | S | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -81.9 | -9.4 | -174.9 | -55.3 | 0 | 0 | 0 | 0 | 113.9 | Y176 G215 V216 I217 C221 T222 | Y176-S219 PolarHBondContact OH-OG 3.18Å; G215-S219 WeakPolarHBondContact O-CB 3.28Å; G215-S219 PolarHBondContact O-N 3.3Å; G215-S219 PolarHBondContact O-OG 3.05Å; V216-S219 PolarHBondContact O-N 3.4Å; I217-S219 VanDerWaalsContact C-N 3.27Å; I217-S219 PolarHBondContact O-N 3.2Å; S219-C221 PolarHBondContact O-N 3.05Å; S219-C221 VanDerWaalsContact O-N 3.17Å; S219-T222 WeakPolarHBondContact O-CB 3.26Å; S219-T222 PolarHBondContact O-N 3.32Å; S219-T222 PolarHBondContact O-OG1 3.29Å |
| 220 | A | 93.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -57.4 | -31.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | H66 I138 V216 I217 S218 T222 V223 | H66-A220 PolarHBondContact CD2-O 2.87Å; H66-A220 PolarHBondContact NE2-O 3.28Å; I138-A220 HydrophobicContact CD1-CB 3.85Å; I138-A220 HydrophobicContact CG1-CB 4.07Å; V216-A220 PolarHBondContact O-N 3.44Å; I217-A220 WeakPolarHBondContact O-CB 3.25Å; I217-A220 PolarHBondContact O-N 3.21Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.48Å; A220-T222 PolarHBondContact O-N 3.42Å; A220-T222 VanDerWaalsContact O-N 3.08Å; A220-V223 WeakPolarHBondContact O-CG2 3.35Å; A220-V223 PolarHBondContact O-N 3.33Å |
| 221 | C | 88.3 | Confident | 92.9 | Very high | 51 Ų | 51 | 25.9 Ų | 25.9 | 35% | 0.345 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -62.4 | -15 | 177.1 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | S218 S219 V226 | S218-C221 PolarHBondContact O-SG 2.95Å; S219-C221 PolarHBondContact O-N 3.05Å; S219-C221 VanDerWaalsContact O-N 3.17Å; C221-V226 HydrophobicContact CB-CG2 3.87Å |
| 222 | T | 89.5 | Confident | 92.7 | Very high | 66 Ų | 66 | 25.9 Ų | 25.9 | 41% | 0.405 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -83.1 | -12.1 | -179 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | I198 S219 A220 | I198-T222 HydrophobicContact CD1-CG2 3.45Å; I198-T222 VanDerWaalsContact CD1-CG2 3.45Å; I198-T222 HydrophobicContact CG1-CG2 4.33Å; S219-T222 WeakPolarHBondContact O-CB 3.26Å; S219-T222 PolarHBondContact O-N 3.32Å; S219-T222 PolarHBondContact O-OG1 3.29Å; A220-T222 PolarHBondContact O-N 3.42Å; A220-T222 VanDerWaalsContact O-N 3.08Å |
| 223 | V | 89.6 | Confident | 92.5 | Very high | 16 Ų | 16 | 26 Ų | 26 | 10% | 0.097 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -9.7 | -173.2 | -61 | 0 | 0 | 0 | 0 | 114.6 | R131 L134 M135 I138 A220 | R131-V223 HydrophobicContact CB-CG1 4.1Å; R131-V223 HydrophobicContact CG-CB 4.49Å; R131-V223 HydrophobicContact CG-CG1 3.84Å; R131-V223 PolarHBondContact NH1-O 3.18Å; R131-V223 VanDerWaalsContact NH1-O 3.14Å; L134-V223 HydrophobicContact CB-CG1 4.03Å; L134-V223 HydrophobicContact CB-CG2 4.04Å; L134-V223 HydrophobicContact CD1-CG1 3.86Å; M135-V223 HydrophobicContact CG-CB 4.28Å; M135-V223 HydrophobicContact CG-CG2 4.28Å; I138-V223 HydrophobicContact CD1-CG2 3.44Å; I138-V223 VanDerWaalsContact CD1-CG2 3.44Å; A220-V223 WeakPolarHBondContact O-CG2 3.35Å; A220-V223 PolarHBondContact O-N 3.33Å |
| 224 | S | 86.9 | Confident | 92.3 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -139 | 165.8 | -177.2 | -34.9 | 0 | 0 | 0 | 0 | 112.3 | H66 S67 | H66-S224 PolarHBondContact CE1-OG 3.5Å; H66-S224 WeakPolarHBondContact NE2-CB 3.46Å; H66-S224 PolarHBondContact NE2-OG 2.53Å; S67-S224 WeakPolarHBondContact OG-CB 3.47Å |
| 225 | D | 89.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 17% | 0.168 | S | C | . | . | trans | -60 | 142.2 | 173.8 | -71.5 | -21.5 | 0 | 0 | 0 | 111.8 | S67 R87 F227 | S67-D225 WeakPolarHBondContact CB-O 3.44Å; S67-D225 PolarHBondContact N-O 3.26Å; R87-D225 WeakPolarHBondContact CD-OD1 3.48Å; R87-D225 IonicContact CZ-OD2 2.71Å; R87-D225 IonicContact NE-OD2 3.51Å; R87-D225 IonicContact NH1-OD2 2.69Å; R87-D225 PolarHBondContact NH1-OD2 2.83Å; D225-F227 HydrophobicContact CB-CE2 3.95Å; D225-F227 HydrophobicContact CB-CZ 4.19Å | ||
| 226 | V | 90.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 30 Ų | 30 | 13% | 0.127 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.1 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | A64 I65 L86 C221 | A64-V226 HydrophobicContact CB-CG1 3.63Å; I65-V226 CarbonylContact O-C 3.49Å; I65-V226 WeakPolarHBondContact O-CA 3.22Å; L86-V226 WeakPolarHBondContact CB-O 3.09Å; L86-V226 HydrophobicContact CD1-CB 3.84Å; L86-V226 HydrophobicContact CD1-CG1 3.58Å; L86-V226 HydrophobicContact CG-CB 4.47Å; L86-V226 VanDerWaalsContact CG-O 3.31Å; L86-V226 WeakPolarHBondContact CG-O 3.37Å; L86-V226 PolarHBondContact N-O 3.05Å; C221-V226 HydrophobicContact CB-CG2 3.87Å |
| 227 | F | 91.8 | Very high | 92.3 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 13% | 0.132 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.2 | -177.9 | -57 | -99.6 | 0 | 0 | 0 | 110.6 | I65 M83 V84 P85 D225 | I65-F227 HydrophobicContact CB-CB 4.39Å; I65-F227 PolarHBondContact N-O 3.41Å; I65-F227 PolarHBondContact O-N 2.81Å; M83-F227 HydrophobicContact CB-CB 4.37Å; M83-F227 HydrophobicContact CB-CD1 4.21Å; V84-F227 CarbonylContact O-C 3.56Å; V84-F227 VanDerWaalsContact O-CA 3.28Å; V84-F227 WeakPolarHBondContact O-CA 3.17Å; P85-F227 HydrophobicContact CB-CD1 3.81Å; P85-F227 HydrophobicContact CB-CE1 3.69Å; D225-F227 HydrophobicContact CB-CE2 3.95Å; D225-F227 HydrophobicContact CB-CZ 4.19Å |
| 228 | T | 89.9 | Confident | 92.4 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 164.3 | 162.9 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | S63 M83 V84 L86 | S63-T228 WeakPolarHBondContact O-CG2 3.44Å; M83-T228 CarbonylContact C-O 3.56Å; M83-T228 WeakPolarHBondContact CA-O 3.35Å; V84-T228 PolarHBondContact N-O 3.27Å; V84-T228 PolarHBondContact O-N 2.82Å; L86-T228 HydrophobicContact CD1-CG2 4.3Å; L86-T228 HydrophobicContact CD2-CG2 3.42Å; L86-T228 VanDerWaalsContact CD2-CG2 3.42Å; L86-T228 HydrophobicContact CG-CG2 4.3Å |
| 229 | I | 91.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.046 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.9 | 173.3 | -65 | -72.6 | 0 | 0 | 0 | 109 | I65 A76 I81 M83 N231 G232 A233 | I65-I229 HydrophobicContact CD1-CD1 3.7Å; I65-I229 HydrophobicContact CD1-CG1 3.53Å; A76-I229 HydrophobicContact CB-CD1 4.09Å; I81-I229 HydrophobicContact CG2-CD1 4.09Å; I81-I229 HydrophobicContact CG2-CG2 3.4Å; I81-I229 VanDerWaalsContact CG2-CG2 3.4Å; M83-I229 HydrophobicContact CG-CD1 3.61Å; I229-N231 PolarHBondContact O-N 2.8Å; I229-G232 VanDerWaalsContact CG2-C 3.49Å; I229-G232 VanDerWaalsContact CG2-O 3.23Å; I229-G232 WeakPolarHBondContact CG2-O 3.43Å; I229-G232 PolarHBondContact O-N 3.03Å; I229-A233 HydrophobicContact CB-CB 4.1Å; I229-A233 HydrophobicContact CG1-CB 3.97Å |
| 230 | E | 89.1 | Confident | 92.7 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 129.4 | 173.1 | 177.9 | 156.2 | -127.3 | 0 | 0 | 110.5 | P82 V84 G232 Q235 K372 | P82-E230 HydrophobicContact CB-CB 3.96Å; P82-E230 WeakPolarHBondContact CB-OE2 2.98Å; P82-E230 PolarHBondContact O-N 3.19Å; V84-E230 HydrophobicContact CG2-CB 4.21Å; E230-G232 PolarHBondContact O-N 3.21Å; E230-Q235 PolarHBondContact O-NE2 2.8Å; E230-K372 IonicContact OE1-NZ 3.06Å; E230-K372 PolarHBondContact OE1-NZ 2.88Å |
| 231 | N | 88.6 | Confident | 93 | Very high | 100 Ų | 100 | 34.4 Ų | 34.4 | 54% | 0.535 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 17.6 | -178.3 | -51.6 | -31.7 | 0 | 0 | 0 | 114.9 | I229 Q235 | I229-N231 PolarHBondContact O-N 2.8Å; N231-Q235 PolarHBondContact O-NE2 3.14Å |
| 232 | G | 92.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | 108.1 | 133 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E59 I229 E230 E234 Q235 | E59-G232 VanDerWaalsContact OE1-CA 3.25Å; E59-G232 WeakPolarHBondContact OE1-CA 3.46Å; I229-G232 VanDerWaalsContact CG2-C 3.49Å; I229-G232 VanDerWaalsContact CG2-O 3.23Å; I229-G232 WeakPolarHBondContact CG2-O 3.43Å; I229-G232 PolarHBondContact O-N 3.03Å; E230-G232 PolarHBondContact O-N 3.21Å; G232-E234 PolarHBondContact O-N 3.47Å; G232-Q235 WeakPolarHBondContact O-CG 3.44Å; G232-Q235 PolarHBondContact O-N 2.88Å; G232-Q235 PolarHBondContact O-NE2 3.07Å | ||
| 233 | A | 94.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I48 E59 I229 Q235 I236 P237 M457 | I48-A233 VanDerWaalsContact CG2-C 3.48Å; I48-A233 HydrophobicContact CG2-CB 3.63Å; E59-A233 WeakPolarHBondContact OE1-CB 3.47Å; E59-A233 PolarHBondContact OE1-N 3.17Å; I229-A233 HydrophobicContact CB-CB 4.1Å; I229-A233 HydrophobicContact CG1-CB 3.97Å; A233-Q235 PolarHBondContact O-N 3.36Å; A233-I236 WeakPolarHBondContact O-CB 3.39Å; A233-I236 PolarHBondContact O-N 3.13Å; A233-I236 VanDerWaalsContact O-N 3.08Å; A233-P237 VanDerWaalsContact O-CD 3.24Å; A233-P237 WeakPolarHBondContact O-CD 3.43Å; A233-M457 HydrophobicContact CB-CE 4.46Å; A233-M457 HydrophobicContact CB-SD 4.05Å |
| 234 | E | 95.1 | Very high | 94.2 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.3 | 176.5 | 61.4 | 169.5 | -144.7 | 0 | 0 | 113.6 | R43 I48 T50 G232 I236 P237 Q238 | R43-E234 IonicContact CZ-OE2 3.48Å; R43-E234 IonicContact NH1-OE2 3.48Å; R43-E234 PolarHBondContact NH1-OE2 2.86Å; I48-E234 HydrophobicContact CG2-CB 4.18Å; T50-E234 HydrophobicContact CG2-CG 4.41Å; T50-E234 PolarHBondContact OG1-OE1 3.03Å; G232-E234 PolarHBondContact O-N 3.47Å; E234-I236 PolarHBondContact O-N 3.2Å; E234-P237 WeakPolarHBondContact O-CD 3.47Å; E234-P237 VanDerWaalsContact O-CG 3.27Å; E234-P237 WeakPolarHBondContact O-CG 3.32Å; E234-Q238 WeakPolarHBondContact O-CB 3.46Å; E234-Q238 VanDerWaalsContact O-CD 3.22Å; E234-Q238 WeakPolarHBondContact O-CG 3.34Å; E234-Q238 PolarHBondContact O-N 2.97Å; E234-Q238 PolarHBondContact OE1-NE2 3.03Å |
| 235 | Q | 96.6 | Very high | 94.8 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57 | -33.7 | 170.8 | -68.2 | 173.6 | 81.6 | 0 | 0 | 112.4 | I81 E230 N231 G232 A233 K239 | I81-Q235 HydrophobicContact CD1-CB 3.76Å; I81-Q235 HydrophobicContact CG1-CB 4.44Å; E230-Q235 PolarHBondContact O-NE2 2.8Å; N231-Q235 PolarHBondContact O-NE2 3.14Å; G232-Q235 WeakPolarHBondContact O-CG 3.44Å; G232-Q235 PolarHBondContact O-N 2.88Å; G232-Q235 PolarHBondContact O-NE2 3.07Å; A233-Q235 PolarHBondContact O-N 3.36Å; Q235-K239 WeakPolarHBondContact O-CB 3.11Å; Q235-K239 VanDerWaalsContact O-CG 3.31Å; Q235-K239 WeakPolarHBondContact O-CG 3.4Å; Q235-K239 PolarHBondContact O-N 3.47Å |
| 236 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -60.3 | -178.9 | -61.2 | -74.5 | 0 | 0 | 0 | 111.5 | I16 M72 F75 A76 I81 A233 E234 Q238 K239 L240 | I16-I236 HydrophobicContact CD1-CG2 4.11Å; M72-I236 HydrophobicContact CE-CB 4.43Å; M72-I236 HydrophobicContact CE-CG1 4.01Å; M72-I236 HydrophobicContact CE-CG2 4.4Å; M72-I236 HydrophobicContact SD-CG2 4.27Å; F75-I236 HydrophobicContact CB-CD1 4.07Å; F75-I236 HydrophobicContact CB-CG2 4.07Å; F75-I236 HydrophobicContact CD2-CG2 4.2Å; A76-I236 HydrophobicContact CB-CD1 4.12Å; I81-I236 HydrophobicContact CD1-CD1 3.56Å; I81-I236 HydrophobicContact CD1-CG1 4.2Å; A233-I236 WeakPolarHBondContact O-CB 3.39Å; A233-I236 PolarHBondContact O-N 3.13Å; A233-I236 VanDerWaalsContact O-N 3.08Å; E234-I236 PolarHBondContact O-N 3.2Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 2.9Å; I236-K239 PolarHBondContact O-N 3.31Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 HydrophobicContact CG2-CG 4.48Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.24Å |
| 237 | P | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -34.3 | 177.3 | 23.9 | -33.2 | 0 | 0 | 0 | 112.7 | I16 A19 I44 I48 A233 E234 L240 V241 | I16-P237 HydrophobicContact CD1-CB 3.97Å; I16-P237 HydrophobicContact CD1-CG 4.44Å; A19-P237 HydrophobicContact CB-CB 3.8Å; I44-P237 HydrophobicContact CG2-CB 4.07Å; I44-P237 WeakPolarHBondContact CG2-O 3.12Å; I48-P237 HydrophobicContact CD1-CG 4.26Å; A233-P237 VanDerWaalsContact O-CD 3.24Å; A233-P237 WeakPolarHBondContact O-CD 3.43Å; E234-P237 WeakPolarHBondContact O-CD 3.47Å; E234-P237 VanDerWaalsContact O-CG 3.27Å; E234-P237 WeakPolarHBondContact O-CG 3.32Å; P237-L240 PolarHBondContact O-N 2.96Å; P237-V241 WeakPolarHBondContact O-CG2 3.33Å; P237-V241 PolarHBondContact O-N 2.96Å |
| 238 | Q | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 174.5 | -71.5 | 164.3 | 3.9 | 0 | 0 | 111.6 | I44 E234 I236 L240 V241 E242 | I44-Q238 HydrophobicContact CB-CG 4.06Å; I44-Q238 HydrophobicContact CG2-CG 4.14Å; E234-Q238 WeakPolarHBondContact O-CB 3.46Å; E234-Q238 VanDerWaalsContact O-CD 3.22Å; E234-Q238 WeakPolarHBondContact O-CG 3.34Å; E234-Q238 PolarHBondContact O-N 2.97Å; E234-Q238 PolarHBondContact OE1-NE2 3.03Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 2.9Å; Q238-L240 PolarHBondContact O-N 3.47Å; Q238-V241 PolarHBondContact O-N 2.96Å; Q238-E242 WeakPolarHBondContact O-CB 3.28Å; Q238-E242 PolarHBondContact O-N 3.31Å |
| 239 | K | 98.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 33.4 Ų | 33.4 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 177.9 | -73.5 | -72 | 167.3 | -156.4 | 0 | 113.2 | F79 I81 Q235 I236 E242 V243 | F79-K239 HydrophobicContact CB-CB 4.49Å; F79-K239 HydrophobicContact CB-CG 4.36Å; F79-K239 HydrophobicContact CD1-CB 4.11Å; F79-K239 HydrophobicContact CD2-CB 3.62Å; F79-K239 HydrophobicContact CD2-CG 4.35Å; F79-K239 HydrophobicContact CE1-CB 4.24Å; F79-K239 HydrophobicContact CE2-CB 3.75Å; F79-K239 HydrophobicContact CG-CB 3.81Å; F79-K239 HydrophobicContact CG-CG 4.19Å; F79-K239 HydrophobicContact CZ-CB 4.06Å; I81-K239 HydrophobicContact CD1-CG 4.43Å; Q235-K239 WeakPolarHBondContact O-CB 3.11Å; Q235-K239 VanDerWaalsContact O-CG 3.31Å; Q235-K239 WeakPolarHBondContact O-CG 3.4Å; Q235-K239 PolarHBondContact O-N 3.47Å; I236-K239 PolarHBondContact O-N 3.31Å; K239-E242 WeakPolarHBondContact CD-OE2 3.32Å; K239-E242 WeakPolarHBondContact CE-OE2 3.34Å; K239-E242 IonicContact NZ-OE1 2.7Å; K239-E242 PolarHBondContact NZ-OE1 3.39Å; K239-E242 IonicContact NZ-OE2 3.6Å; K239-E242 PolarHBondContact NZ-OE2 3.28Å; K239-E242 PolarHBondContact O-N 2.85Å; K239-V243 WeakPolarHBondContact O-CG2 3.38Å; K239-V243 PolarHBondContact O-N 3.43Å |
| 240 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 175 | -69.9 | 173.4 | 0 | 0 | 0 | 111.7 | I16 A19 Y23 F75 F79 I236 P237 Q238 A244 | I16-L240 HydrophobicContact CD1-CD1 3.75Å; A19-L240 HydrophobicContact CB-CB 4.06Å; A19-L240 HydrophobicContact CB-CD1 4.39Å; Y23-L240 HydrophobicContact CD1-CD2 3.98Å; Y23-L240 HydrophobicContact CD2-CD2 3.49Å; Y23-L240 VanDerWaalsContact CD2-CD2 3.49Å; Y23-L240 HydrophobicContact CE1-CD2 4.41Å; Y23-L240 HydrophobicContact CE2-CD2 3.93Å; Y23-L240 HydrophobicContact CG-CD2 3.5Å; F75-L240 HydrophobicContact CD1-CD2 3.87Å; F75-L240 HydrophobicContact CD2-CD1 4.07Å; F75-L240 HydrophobicContact CD2-CD2 4.08Å; F75-L240 HydrophobicContact CE1-CD2 3.71Å; F75-L240 HydrophobicContact CE2-CD1 3.91Å; F75-L240 HydrophobicContact CE2-CD2 3.9Å; F75-L240 HydrophobicContact CG-CD2 4.06Å; F75-L240 HydrophobicContact CZ-CD1 4.46Å; F75-L240 HydrophobicContact CZ-CD2 3.71Å; F79-L240 HydrophobicContact CE2-CD2 3.79Å; F79-L240 HydrophobicContact CE2-CG 4.09Å; F79-L240 HydrophobicContact CZ-CD2 3.92Å; F79-L240 HydrophobicContact CZ-CG 4.5Å; I236-L240 HydrophobicContact CG2-CD1 4.06Å; I236-L240 HydrophobicContact CG2-CG 4.48Å; I236-L240 VanDerWaalsContact O-CG 3.3Å; I236-L240 WeakPolarHBondContact O-CG 3.4Å; I236-L240 PolarHBondContact O-N 3.24Å; P237-L240 PolarHBondContact O-N 2.96Å; Q238-L240 PolarHBondContact O-N 3.47Å; L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.23Å; L240-A244 PolarHBondContact O-N 2.79Å |
| 241 | V | 98.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 40.5 Ų | 40.5 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.3 | -46.3 | 177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | A19 L37 I44 P237 Q238 V243 A244 L245 | A19-V241 HydrophobicContact CB-CG2 3.64Å; L37-V241 HydrophobicContact CD1-CG1 4.23Å; L37-V241 HydrophobicContact CD1-CG2 3.73Å; I44-V241 HydrophobicContact CD1-CG1 4.29Å; I44-V241 HydrophobicContact CD1-CG2 4.24Å; I44-V241 HydrophobicContact CG1-CG1 4.35Å; I44-V241 HydrophobicContact CG1-CG2 4.43Å; I44-V241 HydrophobicContact CG2-CB 4.3Å; I44-V241 HydrophobicContact CG2-CG2 3.78Å; P237-V241 WeakPolarHBondContact O-CG2 3.33Å; P237-V241 PolarHBondContact O-N 2.96Å; Q238-V241 PolarHBondContact O-N 2.96Å; V241-V243 VanDerWaalsContact C-N 3.33Å; V241-V243 PolarHBondContact O-N 2.72Å; V241-A244 PolarHBondContact O-N 3.24Å; V241-L245 HydrophobicContact CG1-CD1 3.59Å; V241-L245 HydrophobicContact CG1-CG 4.04Å; V241-L245 WeakPolarHBondContact O-CB 3.2Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 2.79Å |
| 242 | E | 98.1 | Very high | 96.2 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -51.6 | -52 | 176.6 | -176.4 | -172.6 | 150.6 | 0 | 0 | 110.9 | Q238 K239 A244 A246 | Q238-E242 WeakPolarHBondContact O-CB 3.28Å; Q238-E242 PolarHBondContact O-N 3.31Å; K239-E242 WeakPolarHBondContact CD-OE2 3.32Å; K239-E242 WeakPolarHBondContact CE-OE2 3.34Å; K239-E242 IonicContact NZ-OE1 2.7Å; K239-E242 PolarHBondContact NZ-OE1 3.39Å; K239-E242 IonicContact NZ-OE2 3.6Å; K239-E242 PolarHBondContact NZ-OE2 3.28Å; K239-E242 PolarHBondContact O-N 2.85Å; E242-A244 PolarHBondContact O-N 2.85Å; E242-A246 WeakPolarHBondContact O-CB 3.18Å; E242-A246 PolarHBondContact O-N 2.98Å |
| 243 | V | 97.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | Y23 F79 K239 V241 | Y23-V243 HydrophobicContact CD2-CB 4.26Å; Y23-V243 HydrophobicContact CD2-CG1 4.05Å; Y23-V243 HydrophobicContact CE2-CB 4.36Å; Y23-V243 HydrophobicContact CE2-CG1 3.89Å; F79-V243 HydrophobicContact CE1-CG2 4Å; F79-V243 HydrophobicContact CZ-CG2 4.45Å; K239-V243 WeakPolarHBondContact O-CG2 3.38Å; K239-V243 PolarHBondContact O-N 3.43Å; V241-V243 VanDerWaalsContact C-N 3.33Å; V241-V243 PolarHBondContact O-N 2.72Å |
| 244 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A22 R26 L240 V241 E242 | A22-A244 HydrophobicContact CB-CB 3.79Å; R26-A244 HydrophobicContact CB-CB 4.48Å; R26-A244 PolarHBondContact NE-O 3.24Å; R26-A244 PolarHBondContact NH2-O 3.19Å; R26-A244 VanDerWaalsContact NH2-O 3.11Å; L240-A244 VanDerWaalsContact O-CB 3.31Å; L240-A244 WeakPolarHBondContact O-CB 3.23Å; L240-A244 PolarHBondContact O-N 2.79Å; V241-A244 PolarHBondContact O-N 3.24Å; E242-A244 PolarHBondContact O-N 2.85Å |
| 245 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.8 | -27.6 | -174.6 | -58.2 | -174.3 | 0 | 0 | 0 | 113 | I35 L37 V241 G247 N248 K254 E255 | I35-L245 HydrophobicContact CB-CD2 4.02Å; I35-L245 HydrophobicContact CG2-CD2 3.88Å; L37-L245 HydrophobicContact CB-CD1 4.37Å; V241-L245 HydrophobicContact CG1-CD1 3.59Å; V241-L245 HydrophobicContact CG1-CG 4.04Å; V241-L245 WeakPolarHBondContact O-CB 3.2Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 2.79Å; L245-G247 PolarHBondContact O-N 3.05Å; L245-N248 VanDerWaalsContact O-CB 3.26Å; L245-N248 WeakPolarHBondContact O-CB 3.32Å; L245-N248 PolarHBondContact O-N 3.46Å; L245-K254 VanDerWaalsContact CB-O 3.27Å; L245-K254 WeakPolarHBondContact CB-O 3.49Å; L245-E255 VanDerWaalsContact CD1-C 3.44Å |
| 246 | A | 97.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.4 | -33.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | E242 N248 | E242-A246 WeakPolarHBondContact O-CB 3.18Å; E242-A246 PolarHBondContact O-N 2.98Å; A246-N248 VanDerWaalsContact C-N 3.28Å; A246-N248 PolarHBondContact O-N 3.45Å |
| 247 | G | 94.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 6.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R26 L245 | R26-G247 VanDerWaalsContact CZ-C 3.42Å; R26-G247 PolarHBondContact NH1-O 3.21Å; R26-G247 PolarHBondContact NH2-O 3.42Å; L245-G247 PolarHBondContact O-N 3.05Å |
| 248 | N | 97.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.9 | 179.5 | -92.4 | -28.6 | 0 | 0 | 0 | 112.4 | R26 I35 L245 A246 A252 P253 | R26-N248 PolarHBondContact NH2-OD1 3.49Å; I35-N248 PolarHBondContact N-OD1 3.38Å; I35-N248 PolarHBondContact O-ND2 3.19Å; L245-N248 VanDerWaalsContact O-CB 3.26Å; L245-N248 WeakPolarHBondContact O-CB 3.32Å; L245-N248 PolarHBondContact O-N 3.46Å; A246-N248 VanDerWaalsContact C-N 3.28Å; A246-N248 PolarHBondContact O-N 3.45Å; N248-A252 HydrophobicContact CB-CB 3.93Å; N248-P253 PolarHBondContact ND2-O 3.47Å |
| 249 | P | 94.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 53 Ų | 53 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 161.1 | 176.6 | 30 | -36.6 | 0 | 0 | 0 | 111.3 | P6 G251 A252 | P6-P249 HydrophobicContact CB-CG 4.17Å; P6-P249 HydrophobicContact CG-CB 4.16Å; P6-P249 HydrophobicContact CG-CG 4.01Å; P249-G251 PolarHBondContact O-N 3.04Å; P249-A252 HydrophobicContact CG-CB 4.15Å; P249-A252 WeakPolarHBondContact O-CB 3.34Å; P249-A252 PolarHBondContact O-N 3.14Å |
| 250 | S | 92 | Very high | 96.5 | Very high | 131 Ų | 131 | 51.3 Ų | 51.3 | 92% | 0.916 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 132 | 174.8 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 251 | G | 91 | Very high | 96.4 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 93% | 0.928 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -10 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P249 | P249-G251 PolarHBondContact O-N 3.04Š|
| 252 | A | 94.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 14% | 0.14 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -93.3 | 146.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S34 N248 P249 K254 | S34-A252 WeakPolarHBondContact OG-CB 3.49Å; N248-A252 HydrophobicContact CB-CB 3.93Å; P249-A252 HydrophobicContact CG-CB 4.15Å; P249-A252 WeakPolarHBondContact O-CB 3.34Å; P249-A252 PolarHBondContact O-N 3.14Å; A252-K254 PolarHBondContact O-N 2.91Å |
| 253 | P | 95.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 29% | 0.292 | 32% | 0.322 | S | S | . | . | trans | -60.1 | 132.3 | -179.9 | -23.3 | 33.9 | 0 | 0 | 0 | 112 | T36 N248 E255 I257 | T36-P253 HydrophobicContact CG2-CG 4.38Å; N248-P253 PolarHBondContact ND2-O 3.47Å; P253-E255 VanDerWaalsContact C-N 3.32Å; P253-E255 WeakPolarHBondContact CB-O 3.36Å; P253-I257 HydrophobicContact CG-CD1 4.21Å; P253-I257 HydrophobicContact CG-CG1 4.44Å | ||
| 254 | K | 97.1 | Very high | 96.2 | Very high | 137 Ų | 137 | 51.9 Ų | 51.9 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -89.7 | -3.2 | 172.3 | -64.6 | -169.2 | 178 | -172.8 | 0 | 113.2 | L245 A252 | L245-K254 VanDerWaalsContact CB-O 3.27Å; L245-K254 WeakPolarHBondContact CB-O 3.49Å; A252-K254 PolarHBondContact O-N 2.91Å |
| 255 | E | 97 | Very high | 96.1 | Very high | 153 Ų | 153 | 53.4 Ų | 53.4 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -128 | 166.8 | 175.5 | -64.8 | -178.2 | 172.5 | 0 | 0 | 109.2 | L245 P253 | L245-E255 VanDerWaalsContact CD1-C 3.44Å; P253-E255 VanDerWaalsContact C-N 3.32Å; P253-E255 WeakPolarHBondContact CB-O 3.36Å |
| 256 | F | 97.6 | Very high | 96 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | trans | -72.8 | 155.4 | 174.9 | 69.8 | -90 | 0 | 0 | 0 | 111 | L37 E39 G42 I44 H258 | L37-F256 HydrophobicContact CB-CB 4.19Å; L37-F256 HydrophobicContact CD2-CB 3.55Å; L37-F256 HydrophobicContact CD2-CG 4.43Å; L37-F256 HydrophobicContact CG-CB 4.46Å; L37-F256 CarbonylContact O-C 3.58Å; L37-F256 WeakPolarHBondContact O-CA 3.15Å; E39-F256 HydrophobicContact CB-CD2 3.84Å; E39-F256 HydrophobicContact CB-CE2 4.28Å; E39-F256 HydrophobicContact CB-CG 4.5Å; G42-F256 WeakPolarHBondContact O-CZ 3.41Å; I44-F256 HydrophobicContact CD1-CB 4.24Å; I44-F256 HydrophobicContact CD1-CD1 3.72Å; I44-F256 HydrophobicContact CD1-CE1 4.22Å; I44-F256 HydrophobicContact CD1-CG 3.91Å; I44-F256 HydrophobicContact CG1-CD1 3.79Å; I44-F256 HydrophobicContact CG1-CE1 3.96Å; I44-F256 HydrophobicContact CG1-CG 4.48Å; F256-H258 HydrophobicContact CE2-CB 4.27Å | ||
| 257 | I | 97.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 55 Ų | 55 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 121 | 173.7 | -57.6 | -176.3 | 0 | 0 | 0 | 108.4 | T36 L37 F38 E39 P253 A259 Y276 L278 | T36-I257 HydrophobicContact CG2-CD1 3.44Å; T36-I257 VanDerWaalsContact CG2-CD1 3.44Å; T36-I257 HydrophobicContact CG2-CG1 4.05Å; L37-I257 PolarHBondContact O-N 3.17Å; F38-I257 WeakPolarHBondContact CA-O 3.19Å; F38-I257 HydrophobicContact CD1-CB 3.95Å; F38-I257 HydrophobicContact CD1-CD1 4.35Å; F38-I257 HydrophobicContact CD1-CG2 4.18Å; F38-I257 HydrophobicContact CE1-CB 4.26Å; F38-I257 HydrophobicContact CE1-CD1 3.8Å; F38-I257 HydrophobicContact CE1-CG2 4.37Å; F38-I257 HydrophobicContact CZ-CD1 4.34Å; E39-I257 PolarHBondContact N-O 3.1Å; P253-I257 HydrophobicContact CG-CD1 4.21Å; P253-I257 HydrophobicContact CG-CG1 4.44Å; I257-A259 HydrophobicContact CG2-CB 3.79Å; I257-A259 PolarHBondContact O-N 3.39Å; I257-Y276 HydrophobicContact CG2-CE2 4.4Å; I257-L278 HydrophobicContact CG2-CD2 3.65Å |
| 258 | H | 97.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 88.9 | 173.1 | -173.3 | -169.2 | 0 | 0 | 0 | 110 | E39 K40 G42 F256 A279 | E39-H258 WeakPolarHBondContact O-CA 3.36Å; E39-H258 PolarHBondContact O-CD2 3.06Å; K40-H258 PolarHBondContact O-NE2 3.42Å; G42-H258 PolarHBondContact N-CD2 2.96Å; G42-H258 VanDerWaalsContact N-CD2 3.33Å; G42-H258 PolarHBondContact N-NE2 3.38Å; F256-H258 HydrophobicContact CE2-CB 4.27Å; H258-A279 HydrophobicContact CB-CB 4.38Å; H258-A279 WeakPolarHBondContact CE1-CB 3.25Å; H258-A279 WeakPolarHBondContact ND1-CB 3.39Å; H258-A279 WeakPolarHBondContact NE2-CB 3.41Å; H258-A279 WeakPolarHBondContact O-CB 3.31Å; H258-A279 PolarHBondContact O-N 2.99Å |
| 259 | A | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 155.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | F38 E39 K40 I257 Y276 D277 L278 | F38-A259 HydrophobicContact CD1-CB 4.3Å; E39-A259 CarbonylContact C-O 3.58Å; E39-A259 PolarHBondContact O-N 3Å; K40-A259 WeakPolarHBondContact CA-O 3.36Å; K40-A259 PolarHBondContact N-O 2.89Å; I257-A259 HydrophobicContact CG2-CB 3.79Å; I257-A259 PolarHBondContact O-N 3.39Å; A259-Y276 HydrophobicContact CB-CD2 3.73Å; A259-Y276 HydrophobicContact CB-CG 4.35Å; A259-D277 CarbonylContact C-O 3.59Å; A259-D277 WeakPolarHBondContact CA-O 3.39Å; A259-D277 VanDerWaalsContact CB-O 3.31Å; A259-D277 WeakPolarHBondContact CB-O 3.08Å; A259-L278 HydrophobicContact CB-CD2 4.28Å |
| 260 | T | 96.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 69.7 Ų | 69.7 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.2 | 171.1 | -60 | 0 | 0 | 0 | 0 | 109.8 | K262 Y276 D277 | T260-K262 HydrophobicContact CG2-CD 4.12Å; T260-Y276 CarbonylContact O-C 3.54Å; T260-Y276 VanDerWaalsContact O-CA 3.25Å; T260-Y276 WeakPolarHBondContact O-CA 3.36Å; T260-D277 PolarHBondContact N-O 2.88Å; T260-D277 PolarHBondContact O-N 3.24Å |
| 261 | V | 97 | Very high | 94.9 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128.5 | 172.3 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | V12 F38 I264 L274 | V12-V261 HydrophobicContact CB-CG2 4.48Å; V12-V261 HydrophobicContact CG1-CB 3.92Å; V12-V261 HydrophobicContact CG1-CG2 3.75Å; V12-V261 HydrophobicContact CG2-CG2 3.95Å; F38-V261 HydrophobicContact CB-CG2 3.89Å; F38-V261 HydrophobicContact CD1-CG2 4.33Å; F38-V261 HydrophobicContact CD2-CG2 4.35Å; F38-V261 HydrophobicContact CG-CG2 3.95Å; V261-I264 HydrophobicContact CG1-CG1 4.37Å; V261-L274 HydrophobicContact CG1-CD2 4.21Å; V261-L274 HydrophobicContact CG1-CG 4.15Å; V261-L274 HydrophobicContact CG2-CD2 4.29Å |
| 262 | K | 95.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 30% | 0.296 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -31.7 | -176.7 | -64.1 | -61.2 | -165.5 | 177.9 | 0 | 113.4 | T260 S275 D277 I304 S305 | T260-K262 HydrophobicContact CG2-CD 4.12Å; K262-S275 PolarHBondContact N-O 2.84Å; K262-D277 WeakPolarHBondContact CE-OD2 3.18Å; K262-D277 WeakPolarHBondContact CG-OD2 3.38Å; K262-D277 IonicContact NZ-OD2 2.74Å; K262-I304 WeakPolarHBondContact O-CA 3.22Å; K262-S305 PolarHBondContact O-N 3.27Å; K262-S305 PolarHBondContact O-OG 3.17Å; K262-S305 VanDerWaalsContact O-OG 3.14Å |
| 263 | K | 96.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 142 | -172.8 | -169 | 179.1 | -167.6 | -166.9 | 0 | 112 | T265 L274 S275 S305 | K263-T265 HydrophobicContact CD-CG2 3.89Å; K263-T265 HydrophobicContact CG-CG2 3.92Å; K263-L274 WeakPolarHBondContact O-CA 3.46Å; K263-S275 PolarHBondContact N-O 3.48Å; K263-S275 PolarHBondContact O-N 3.36Å; K263-S305 CarbonylContact C-O 3.59Å; K263-S305 VanDerWaalsContact CA-O 3.25Å; K263-S305 WeakPolarHBondContact CA-O 3.42Å; K263-S305 WeakPolarHBondContact CB-OG 3.41Å; K263-S305 VanDerWaalsContact CG-OG 3.27Å; K263-S305 WeakPolarHBondContact CG-OG 3.47Å |
| 264 | I | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 113.3 | 171.5 | -55.2 | 164.2 | 0 | 0 | 0 | 107.8 | V261 L272 C273 L274 V292 L294 I304 S305 T306 S307 I310 | V261-I264 HydrophobicContact CG1-CG1 4.37Å; I264-L272 HydrophobicContact CG2-CD2 4.18Å; I264-C273 WeakPolarHBondContact CA-O 3.48Å; I264-L274 HydrophobicContact CB-CD1 4.48Å; I264-L274 HydrophobicContact CG1-CD1 4.09Å; I264-L274 HydrophobicContact CG1-CG 4.14Å; I264-L274 HydrophobicContact CG2-CD1 4.01Å; I264-V292 HydrophobicContact CD1-CG1 4.09Å; I264-V292 HydrophobicContact CG2-CG2 4.43Å; I264-L294 HydrophobicContact CD1-CD1 3.92Å; I264-L294 HydrophobicContact CD1-CD2 3.46Å; I264-L294 VanDerWaalsContact CD1-CD2 3.46Å; I264-L294 HydrophobicContact CD1-CG 4.07Å; I264-I304 HydrophobicContact CD1-CG2 3.9Å; I264-I304 HydrophobicContact CG1-CG2 4.1Å; I264-S305 PolarHBondContact N-O 3.04Å; I264-T306 HydrophobicContact CB-CG2 4.32Å; I264-T306 VanDerWaalsContact O-CA 3.28Å; I264-T306 WeakPolarHBondContact O-CA 3.39Å; I264-S307 PolarHBondContact O-N 3Å; I264-S307 VanDerWaalsContact O-N 3.15Å; I264-I310 HydrophobicContact CG2-CD1 3.98Å |
| 265 | T | 96.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.5 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | K263 L272 C273 S307 | K263-T265 HydrophobicContact CD-CG2 3.89Å; K263-T265 HydrophobicContact CG-CG2 3.92Å; T265-L272 CarbonylContact O-C 3.37Å; T265-L272 WeakPolarHBondContact O-CA 3.31Å; T265-C273 PolarHBondContact N-O 3.04Å; T265-C273 PolarHBondContact O-N 2.84Å; T265-C273 PolarHBondContact OG1-O 2.98Å; T265-S307 WeakPolarHBondContact CA-OG 3.24Å |
| 266 | R | 95.9 | Very high | 95.5 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.8 | 167.8 | -167.4 | 174.3 | -57.7 | -77.4 | -7.5 | 109.7 | D270 R271 S307 D309 S442 | R266-D270 WeakPolarHBondContact CD-OD1 3.42Å; R266-D270 IonicContact CZ-OD1 2.79Å; R266-D270 IonicContact NE-OD1 3.81Å; R266-D270 IonicContact NH1-OD1 3.75Å; R266-D270 PolarHBondContact NH1-OD1 2.84Å; R266-R271 WeakPolarHBondContact CA-O 3.35Å; R266-S307 PolarHBondContact N-OG 3.17Å; R266-D309 IonicContact CZ-OD2 3.72Å; R266-D309 VanDerWaalsContact CZ-OD2 3.23Å; R266-D309 IonicContact NE-OD1 3.96Å; R266-D309 IonicContact NE-OD2 3.98Å; R266-D309 PolarHBondContact NE-OD2 2.81Å; R266-D309 IonicContact NH2-OD2 2.69Å; R266-D309 PolarHBondContact NH2-OD2 2.82Å; R266-S442 PolarHBondContact NH1-O 3.06Å; R266-S442 PolarHBondContact NH2-O 3.46Å |
| 267 | T | 94.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | trans | -89.8 | 165.3 | 173.5 | 71 | 0 | 0 | 0 | 0 | 110.8 | N269 D270 R271 C273 L288 | T267-N269 PolarHBondContact O-N 3.37Å; T267-N269 VanDerWaalsContact O-N 3.08Å; T267-D270 PolarHBondContact O-N 3.13Å; T267-R271 PolarHBondContact N-O 3.12Å; T267-R271 PolarHBondContact OG1-N 2.99Å; T267-R271 PolarHBondContact OG1-O 3.31Å; T267-C273 HydrophobicContact CG2-CB 4.08Å; T267-L288 HydrophobicContact CG2-CD2 3.83Å | ||
| 268 | D | 88.8 | Confident | 95.4 | Very high | 173 Ų | 173 | 46.6 Ų | 46.6 | 93% | 0.925 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.4 | 179.9 | -58.4 | -27.4 | 0 | 0 | 0 | 113.5 | D270 | D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.23Å |
| 269 | N | 87.8 | Confident | 95.3 | Very high | 140 Ų | 140 | 45.4 Ų | 45.4 | 75% | 0.749 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 18.8 | 177.7 | -67.6 | -18 | 0 | 0 | 0 | 113.4 | T267 R271 | T267-N269 PolarHBondContact O-N 3.37Å; T267-N269 VanDerWaalsContact O-N 3.08Å; N269-R271 PolarHBondContact O-N 3Å; N269-R271 VanDerWaalsContact O-N 3.17Å |
| 270 | D | 87.9 | Confident | 94.7 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 57.6 | 24.9 | -177.1 | -167 | 41.7 | 0 | 0 | 0 | 114.2 | R266 T267 D268 R443 | R266-D270 WeakPolarHBondContact CD-OD1 3.42Å; R266-D270 IonicContact CZ-OD1 2.79Å; R266-D270 IonicContact NE-OD1 3.81Å; R266-D270 IonicContact NH1-OD1 3.75Å; R266-D270 PolarHBondContact NH1-OD1 2.84Å; T267-D270 PolarHBondContact O-N 3.13Å; D268-D270 VanDerWaalsContact C-N 3.29Å; D268-D270 PolarHBondContact O-N 3.23Å; D270-R443 IonicContact OD2-CZ 2.83Å; D270-R443 IonicContact OD2-NE 3.38Å; D270-R443 PolarHBondContact OD2-NE 3.38Å; D270-R443 IonicContact OD2-NH2 3.69Å |
| 271 | R | 94.5 | Very high | 94 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | trans | -95 | 156.7 | 171.5 | -56.8 | -168.6 | 77.3 | -145.4 | -8.3 | 110.2 | R266 T267 N269 L288 D290 | R266-R271 WeakPolarHBondContact CA-O 3.35Å; T267-R271 PolarHBondContact N-O 3.12Å; T267-R271 PolarHBondContact OG1-N 2.99Å; T267-R271 PolarHBondContact OG1-O 3.31Å; N269-R271 PolarHBondContact O-N 3Å; N269-R271 VanDerWaalsContact O-N 3.17Å; R271-L288 PolarHBondContact NH2-O 2.9Å; R271-L288 VanDerWaalsContact NH2-O 3.09Å; R271-D290 IonicContact CZ-OD1 3.32Å; R271-D290 IonicContact NE-OD1 2.78Å; R271-D290 PolarHBondContact NE-OD1 2.88Å; R271-D290 IonicContact NH2-OD1 3.11Å; R271-D290 PolarHBondContact NH2-OD1 2.96Å; R271-D290 VanDerWaalsContact NH2-OD1 3.17Å; R271-D290 IonicContact NH2-OD2 3.45Å | ||
| 272 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.6 | -178.6 | -65.5 | 163.2 | 0 | 0 | 0 | 109.4 | I264 T265 F289 V292 I310 R443 V444 | I264-L272 HydrophobicContact CG2-CD2 4.18Å; T265-L272 CarbonylContact O-C 3.37Å; T265-L272 WeakPolarHBondContact O-CA 3.31Å; L272-F289 PolarHBondContact N-O 3.12Å; L272-F289 PolarHBondContact O-N 2.95Å; L272-V292 HydrophobicContact CB-CG2 3.69Å; L272-V292 HydrophobicContact CD1-CB 4.04Å; L272-V292 HydrophobicContact CD1-CG2 3.52Å; L272-V292 HydrophobicContact CG-CG2 4.18Å; L272-I310 HydrophobicContact CD2-CD1 4.03Å; L272-R443 HydrophobicContact CD1-CB 3.92Å; L272-R443 WeakPolarHBondContact CD1-O 3.4Å; L272-V444 HydrophobicContact CD1-CG2 3.7Å; L272-V444 HydrophobicContact CD2-CG2 3.93Å |
| 273 | C | 97.8 | Very high | 93 | Very high | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.6 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 110 | I264 T265 T267 G287 L288 | I264-C273 WeakPolarHBondContact CA-O 3.48Å; T265-C273 PolarHBondContact N-O 3.04Å; T265-C273 PolarHBondContact O-N 2.84Å; T265-C273 PolarHBondContact OG1-O 2.98Å; T267-C273 HydrophobicContact CG2-CB 4.08Å; C273-G287 WeakPolarHBondContact CA-O 3.5Å; C273-L288 HydrophobicContact CB-CD2 3.73Å |
| 274 | L | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128 | 173.1 | -92.3 | 63.6 | 0 | 0 | 0 | 109.4 | A10 V12 F38 V261 K263 I264 E286 G287 F289 V292 | A10-L274 HydrophobicContact CB-CD1 4.47Å; A10-L274 HydrophobicContact CB-CD2 3.45Å; A10-L274 VanDerWaalsContact CB-CD2 3.45Å; V12-L274 HydrophobicContact CG2-CD2 3.95Å; F38-L274 HydrophobicContact CD2-CD2 4.33Å; F38-L274 HydrophobicContact CE2-CD2 3.98Å; V261-L274 HydrophobicContact CG1-CD2 4.21Å; V261-L274 HydrophobicContact CG1-CG 4.15Å; V261-L274 HydrophobicContact CG2-CD2 4.29Å; K263-L274 WeakPolarHBondContact O-CA 3.46Å; I264-L274 HydrophobicContact CB-CD1 4.48Å; I264-L274 HydrophobicContact CG1-CD1 4.09Å; I264-L274 HydrophobicContact CG1-CG 4.14Å; I264-L274 HydrophobicContact CG2-CD1 4.01Å; L274-E286 CarbonylContact O-C 3.57Å; L274-E286 VanDerWaalsContact O-CA 3.23Å; L274-E286 WeakPolarHBondContact O-CA 3.47Å; L274-G287 PolarHBondContact N-O 2.77Å; L274-G287 PolarHBondContact O-N 2.66Å; L274-F289 HydrophobicContact CB-CD2 4.27Å; L274-F289 HydrophobicContact CB-CE2 4.12Å; L274-F289 HydrophobicContact CD1-CD2 4.06Å; L274-F289 HydrophobicContact CD2-CD2 4.34Å; L274-F289 HydrophobicContact CD2-CE2 4.26Å; L274-F289 HydrophobicContact CG-CD2 4.45Å; L274-V292 HydrophobicContact CD1-CG1 4.31Å; L274-V292 HydrophobicContact CD1-CG2 3.37Å |
| 275 | S | 97.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.3 | 166.6 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | K262 K263 T284 E285 | K262-S275 PolarHBondContact N-O 2.84Å; K263-S275 PolarHBondContact N-O 3.48Å; K263-S275 PolarHBondContact O-N 3.36Å; S275-T284 WeakPolarHBondContact OG-CG2 3.32Å; S275-E285 WeakPolarHBondContact CA-O 3.1Å |
| 276 | Y | 97 | Very high | 92.9 | Very high | 19 Ų | 19 | 70 Ų | 70 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 145.2 | -175.3 | 58.2 | -91.6 | 0 | 0 | 0 | 112.2 | F38 I257 A259 T260 L278 T284 E285 | F38-Y276 HydrophobicContact CD1-CD1 4.3Å; F38-Y276 HydrophobicContact CD1-CD2 4.36Å; F38-Y276 HydrophobicContact CD1-CG 4.16Å; F38-Y276 AromaticContact CE1-CD1 3.54Å; F38-Y276 HydrophobicContact CE1-CD1 3.54Å; F38-Y276 HydrophobicContact CE1-CD2 4.02Å; F38-Y276 AromaticContact CE1-CE1 3.56Å; F38-Y276 HydrophobicContact CE1-CE1 3.56Å; F38-Y276 HydrophobicContact CE1-CE2 4.04Å; F38-Y276 AromaticContact CE1-CG 3.78Å; F38-Y276 HydrophobicContact CE1-CG 3.78Å; F38-Y276 AromaticContact CE1-CZ 3.84Å; F38-Y276 HydrophobicContact CZ-CD1 4.01Å; F38-Y276 AromaticContact CZ-CE1 3.9Å; F38-Y276 HydrophobicContact CZ-CE1 3.9Å; I257-Y276 HydrophobicContact CG2-CE2 4.4Å; A259-Y276 HydrophobicContact CB-CD2 3.73Å; A259-Y276 HydrophobicContact CB-CG 4.35Å; T260-Y276 CarbonylContact O-C 3.54Å; T260-Y276 VanDerWaalsContact O-CA 3.25Å; T260-Y276 WeakPolarHBondContact O-CA 3.36Å; Y276-L278 HydrophobicContact CD2-CD2 4.25Å; Y276-L278 HydrophobicContact CD2-CG 4.49Å; Y276-L278 HydrophobicContact CE2-CD2 3.91Å; Y276-L278 HydrophobicContact CE2-CG 4.25Å; Y276-T284 WeakPolarHBondContact O-CA 3.45Å; Y276-E285 HydrophobicContact CD2-CB 4.35Å; Y276-E285 HydrophobicContact CE1-CB 4.31Å; Y276-E285 HydrophobicContact CE2-CB 3.64Å; Y276-E285 HydrophobicContact CE2-CG 4.49Å; Y276-E285 PolarHBondContact N-O 3.4Å; Y276-E285 PolarHBondContact O-N 2.73Å; Y276-E285 PolarHBondContact OH-OE2 2.81Å |
| 277 | D | 96.6 | Very high | 92.9 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121 | 176.8 | -60.2 | -29.6 | 0 | 0 | 0 | 109.6 | A259 T260 K262 T284 | A259-D277 CarbonylContact C-O 3.59Å; A259-D277 WeakPolarHBondContact CA-O 3.39Å; A259-D277 VanDerWaalsContact CB-O 3.31Å; A259-D277 WeakPolarHBondContact CB-O 3.08Å; T260-D277 PolarHBondContact N-O 2.88Å; T260-D277 PolarHBondContact O-N 3.24Å; K262-D277 WeakPolarHBondContact CE-OD2 3.18Å; K262-D277 WeakPolarHBondContact CG-OD2 3.38Å; K262-D277 IonicContact NZ-OD2 2.74Å; D277-T284 WeakPolarHBondContact OD1-CB 3.36Å; D277-T284 PolarHBondContact OD1-OG1 3.44Å |
| 278 | L | 96.4 | Very high | 93.1 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 133.1 | 174.6 | -69.8 | 174.3 | 0 | 0 | 0 | 110.7 | I257 A259 Y276 N280 N281 N282 K283 E285 | I257-L278 HydrophobicContact CG2-CD2 3.65Å; A259-L278 HydrophobicContact CB-CD2 4.28Å; Y276-L278 HydrophobicContact CD2-CD2 4.25Å; Y276-L278 HydrophobicContact CD2-CG 4.49Å; Y276-L278 HydrophobicContact CE2-CD2 3.91Å; Y276-L278 HydrophobicContact CE2-CG 4.25Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.34Å; L278-N281 VanDerWaalsContact CB-OD1 3.24Å; L278-N281 WeakPolarHBondContact CB-OD1 3.24Å; L278-N282 WeakPolarHBondContact O-CA 3.49Å; L278-N282 PolarHBondContact O-N 3.01Å; L278-K283 PolarHBondContact N-O 2.69Å; L278-E285 HydrophobicContact CD1-CG 4.04Å |
| 279 | A | 93.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 62 Ų | 62 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -29.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H258 N281 | H258-A279 HydrophobicContact CB-CB 4.38Å; H258-A279 WeakPolarHBondContact CE1-CB 3.25Å; H258-A279 WeakPolarHBondContact ND1-CB 3.39Å; H258-A279 WeakPolarHBondContact NE2-CB 3.41Å; H258-A279 WeakPolarHBondContact O-CB 3.31Å; H258-A279 PolarHBondContact O-N 2.99Å; A279-N281 PolarHBondContact O-N 3.36Å |
| 280 | N | 84.9 | Confident | 94 | Very high | 147 Ų | 147 | 56.5 Ų | 56.5 | 79% | 0.786 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -22.8 | -170.9 | -66.5 | -3.7 | 0 | 0 | 0 | 113.8 | L278 | L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 3.34Å |
| 281 | N | 82 | Confident | 94.5 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | 8.1 | -170.3 | 54.2 | 0.5 | 0 | 0 | 0 | 114 | L278 A279 K283 | L278-N281 VanDerWaalsContact CB-OD1 3.24Å; L278-N281 WeakPolarHBondContact CB-OD1 3.24Å; A279-N281 PolarHBondContact O-N 3.36Å; N281-K283 PolarHBondContact O-N 2.82Å |
| 282 | N | 78.8 | Confident | 94.7 | Very high | 143 Ų | 143 | 50.5 Ų | 50.5 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | trans | 49.9 | 27 | -176.7 | -67.4 | -23.4 | 0 | 0 | 0 | 113.4 | L278 | L278-N282 WeakPolarHBondContact O-CA 3.49Å; L278-N282 PolarHBondContact O-N 3.01Å | ||
| 283 | K | 92.9 | Very high | 94.7 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 47% | 0.47 | 27% | 0.27 | S | S | . | . | trans | -86.4 | 127.2 | 177.4 | -174.5 | -172.9 | 171.8 | -152.4 | 0 | 108.4 | L278 N281 E285 | L278-K283 PolarHBondContact N-O 2.69Å; N281-K283 PolarHBondContact O-N 2.82Å; K283-E285 HydrophobicContact CD-CG 4.25Å; K283-E285 HydrophobicContact CG-CG 4.36Å; K283-E285 IonicContact NZ-OE1 3.21Å; K283-E285 PolarHBondContact NZ-OE1 2.98Å | ||
| 284 | T | 95.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 50 Ų | 50 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 129.9 | 168.7 | -51.5 | 0 | 0 | 0 | 0 | 109.5 | S275 Y276 D277 | S275-T284 WeakPolarHBondContact OG-CG2 3.32Å; Y276-T284 WeakPolarHBondContact O-CA 3.45Å; D277-T284 WeakPolarHBondContact OD1-CB 3.36Å; D277-T284 PolarHBondContact OD1-OG1 3.44Å |
| 285 | E | 96.7 | Very high | 94.7 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 165.3 | 172.9 | -64.6 | -164.1 | 159.1 | 0 | 0 | 110.8 | S275 Y276 L278 K283 | S275-E285 WeakPolarHBondContact CA-O 3.1Å; Y276-E285 HydrophobicContact CD2-CB 4.35Å; Y276-E285 HydrophobicContact CE1-CB 4.31Å; Y276-E285 HydrophobicContact CE2-CB 3.64Å; Y276-E285 HydrophobicContact CE2-CG 4.49Å; Y276-E285 PolarHBondContact N-O 3.4Å; Y276-E285 PolarHBondContact O-N 2.73Å; Y276-E285 PolarHBondContact OH-OE2 2.81Å; L278-E285 HydrophobicContact CD1-CG 4.04Å; K283-E285 HydrophobicContact CD-CG 4.25Å; K283-E285 HydrophobicContact CG-CG 4.36Å; K283-E285 IonicContact NZ-OE1 3.21Å; K283-E285 PolarHBondContact NZ-OE1 2.98Å |
| 286 | E | 96.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 51.2 Ų | 51.2 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 142.9 | 179 | -66.4 | -169.8 | 159.9 | 0 | 0 | 111.3 | L274 | L274-E286 CarbonylContact O-C 3.57Å; L274-E286 VanDerWaalsContact O-CA 3.23Å; L274-E286 WeakPolarHBondContact O-CA 3.47Å |
| 287 | G | 96.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C273 L274 F289 | C273-G287 WeakPolarHBondContact CA-O 3.5Å; L274-G287 PolarHBondContact N-O 2.77Å; L274-G287 PolarHBondContact O-N 2.66Å; G287-F289 VanDerWaalsContact O-CD2 3.28Å; G287-F289 WeakPolarHBondContact O-CD2 3.45Å; G287-F289 WeakPolarHBondContact O-CE2 3.49Å |
| 288 | L | 97.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 40% | 0.403 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.6 | 178.4 | -69.1 | 173.9 | 0 | 0 | 0 | 112.4 | T267 R271 C273 | T267-L288 HydrophobicContact CG2-CD2 3.83Å; R271-L288 PolarHBondContact NH2-O 2.9Å; R271-L288 VanDerWaalsContact NH2-O 3.09Å; C273-L288 HydrophobicContact CB-CD2 3.73Å |
| 289 | F | 97.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.9 | -176.4 | -61 | -84.5 | 0 | 0 | 0 | 111.9 | K8 A10 T36 F38 L272 L274 G287 | K8-F289 HydrophobicContact CB-CD1 3.92Å; A10-F289 HydrophobicContact CB-CB 4.31Å; A10-F289 HydrophobicContact CB-CD1 3.67Å; A10-F289 HydrophobicContact CB-CD2 3.78Å; A10-F289 HydrophobicContact CB-CE1 3.87Å; A10-F289 HydrophobicContact CB-CE2 3.96Å; A10-F289 HydrophobicContact CB-CG 3.62Å; A10-F289 HydrophobicContact CB-CZ 4.01Å; A10-F289 VanDerWaalsContact N-CD1 3.32Å; T36-F289 HydrophobicContact CG2-CE1 4.5Å; T36-F289 HydrophobicContact CG2-CZ 4.29Å; F38-F289 HydrophobicContact CE2-CE2 4.13Å; F38-F289 AromaticContact CE2-CZ 3.77Å; F38-F289 HydrophobicContact CE2-CZ 3.77Å; F38-F289 HydrophobicContact CZ-CE2 4.06Å; F38-F289 AromaticContact CZ-CZ 3.72Å; F38-F289 HydrophobicContact CZ-CZ 3.72Å; L272-F289 PolarHBondContact N-O 3.12Å; L272-F289 PolarHBondContact O-N 2.95Å; L274-F289 HydrophobicContact CB-CD2 4.27Å; L274-F289 HydrophobicContact CB-CE2 4.12Å; L274-F289 HydrophobicContact CD1-CD2 4.06Å; L274-F289 HydrophobicContact CD2-CD2 4.34Å; L274-F289 HydrophobicContact CD2-CE2 4.26Å; L274-F289 HydrophobicContact CG-CD2 4.45Å; G287-F289 VanDerWaalsContact O-CD2 3.28Å; G287-F289 WeakPolarHBondContact O-CD2 3.45Å; G287-F289 WeakPolarHBondContact O-CE2 3.49Å |
| 290 | D | 97.2 | Very high | 92.5 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -91.8 | -22.9 | 174.6 | -51.5 | -50 | 0 | 0 | 0 | 111.5 | F7 K8 R271 R443 | F7-D290 WeakPolarHBondContact CA-OD2 3.37Å; F7-D290 HydrophobicContact CB-CB 4.41Å; K8-D290 PolarHBondContact N-OD2 3.07Å; K8-D290 PolarHBondContact O-N 2.66Å; R271-D290 IonicContact CZ-OD1 3.32Å; R271-D290 IonicContact NE-OD1 2.78Å; R271-D290 PolarHBondContact NE-OD1 2.88Å; R271-D290 IonicContact NH2-OD1 3.11Å; R271-D290 PolarHBondContact NH2-OD1 2.96Å; R271-D290 VanDerWaalsContact NH2-OD1 3.17Å; R271-D290 IonicContact NH2-OD2 3.45Å; D290-R443 WeakPolarHBondContact O-CB 3.19Å; D290-R443 VanDerWaalsContact O-CD 3.28Å; D290-R443 WeakPolarHBondContact O-CD 3.45Å |
| 291 | Y | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.1 | 174.4 | -61.5 | -92.7 | 0 | 0 | 0 | 111.2 | F7 K8 V9 A10 R443 Y445 I471 E474 M475 | F7-Y291 AromaticContact CD2-CD2 3.86Å; F7-Y291 HydrophobicContact CD2-CD2 3.86Å; F7-Y291 HydrophobicContact CD2-CE2 4.05Å; F7-Y291 HydrophobicContact CE2-CD2 4.17Å; F7-Y291 HydrophobicContact CE2-CE2 4.39Å; K8-Y291 PolarHBondContact O-N 3.28Å; V9-Y291 WeakPolarHBondContact CA-O 3.12Å; V9-Y291 HydrophobicContact CG2-CD2 4.43Å; A10-Y291 PolarHBondContact N-O 3.23Å; Y291-R443 WeakPolarHBondContact CA-O 3.34Å; Y291-R443 HydrophobicContact CD1-CB 3.76Å; Y291-R443 HydrophobicContact CD1-CG 4.04Å; Y291-R443 HydrophobicContact CE1-CB 4.08Å; Y291-R443 HydrophobicContact CE1-CG 3.82Å; Y291-R443 HydrophobicContact CG-CB 4.43Å; Y291-R443 PolarHBondContact OH-NH1 3.32Å; Y291-Y445 HydrophobicContact CD1-CD2 4.48Å; Y291-Y445 AromaticContact CD1-CE2 3.93Å; Y291-Y445 HydrophobicContact CD1-CE2 3.93Å; Y291-Y445 HydrophobicContact CE1-CE2 4.36Å; Y291-I471 HydrophobicContact CD1-CD1 4.45Å; Y291-I471 HydrophobicContact CD1-CG1 3.99Å; Y291-I471 HydrophobicContact CD1-CG2 4.16Å; Y291-I471 HydrophobicContact CD2-CG2 4.38Å; Y291-I471 HydrophobicContact CE1-CG1 4.42Å; Y291-I471 HydrophobicContact CE1-CG2 4.1Å; Y291-I471 HydrophobicContact CE2-CG2 4.37Å; Y291-I471 HydrophobicContact CG-CG1 4.48Å; Y291-I471 HydrophobicContact CG-CG2 4.29Å; Y291-E474 WeakPolarHBondContact CE1-OE2 3.36Å; Y291-M475 HydrophobicContact CD2-CE 4.33Å; Y291-M475 HydrophobicContact CE2-CE 3.38Å; Y291-M475 HydrophobicContact CE2-CG 4.43Å; Y291-M475 VanDerWaalsContact OH-CG 3.3Å; Y291-M475 WeakPolarHBondContact OH-CG 3.23Å |
| 292 | V | 98.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.9 | 174.2 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | A10 V12 I264 L272 L274 L294 R443 V444 Y445 | A10-V292 HydrophobicContact CB-CG2 4.26Å; A10-V292 CarbonylContact O-C 3.55Å; A10-V292 WeakPolarHBondContact O-CA 3.32Å; V12-V292 HydrophobicContact CG2-CG1 4.34Å; I264-V292 HydrophobicContact CD1-CG1 4.09Å; I264-V292 HydrophobicContact CG2-CG2 4.43Å; L272-V292 HydrophobicContact CB-CG2 3.69Å; L272-V292 HydrophobicContact CD1-CB 4.04Å; L272-V292 HydrophobicContact CD1-CG2 3.52Å; L272-V292 HydrophobicContact CG-CG2 4.18Å; L274-V292 HydrophobicContact CD1-CG1 4.31Å; L274-V292 HydrophobicContact CD1-CG2 3.37Å; V292-L294 HydrophobicContact CG1-CD2 4.17Å; V292-L294 HydrophobicContact CG1-CG 4.2Å; V292-R443 PolarHBondContact N-O 3.02Å; V292-V444 WeakPolarHBondContact O-CA 3.39Å; V292-Y445 PolarHBondContact O-N 2.94Å |
| 293 | I | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.1 | 171.4 | -58.2 | -175.2 | 0 | 0 | 0 | 107.5 | V9 A10 V11 V12 L25 S295 Y445 P447 V467 I471 | V9-I293 HydrophobicContact CG1-CD1 4.2Å; V9-I293 HydrophobicContact CG1-CG1 4.14Å; A10-I293 PolarHBondContact O-N 3.14Å; V11-I293 HydrophobicContact CG2-CB 4.37Å; V11-I293 HydrophobicContact CG2-CD1 4.42Å; V12-I293 PolarHBondContact N-O 3.49Å; L25-I293 HydrophobicContact CD1-CD1 3.7Å; I293-S295 PolarHBondContact O-N 3.45Å; I293-Y445 CarbonylContact C-O 3.53Å; I293-Y445 WeakPolarHBondContact CA-O 3.46Å; I293-P447 HydrophobicContact CG2-CG 3.8Å; I293-V467 HydrophobicContact CD1-CG2 4.15Å; I293-V467 HydrophobicContact CG2-CG2 4.25Å; I293-I471 HydrophobicContact CD1-CD1 3.77Å; I293-I471 HydrophobicContact CG1-CD1 4.04Å |
| 294 | L | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 98.2 | 173.7 | -69 | 173.4 | 0 | 0 | 0 | 108.8 | V12 I264 V292 L296 I304 L312 L440 V444 Y445 Y446 P447 | V12-L294 HydrophobicContact CB-CD2 3.94Å; V12-L294 HydrophobicContact CG1-CD2 4.34Å; V12-L294 HydrophobicContact CG2-CD2 3.97Å; I264-L294 HydrophobicContact CD1-CD1 3.92Å; I264-L294 HydrophobicContact CD1-CD2 3.46Å; I264-L294 VanDerWaalsContact CD1-CD2 3.46Å; I264-L294 HydrophobicContact CD1-CG 4.07Å; V292-L294 HydrophobicContact CG1-CD2 4.17Å; V292-L294 HydrophobicContact CG1-CG 4.2Å; L294-L296 HydrophobicContact CB-CD2 3.97Å; L294-L296 HydrophobicContact CD2-CD2 4.05Å; L294-I304 HydrophobicContact CD2-CD1 4.22Å; L294-L312 HydrophobicContact CD1-CD2 3.58Å; L294-L440 HydrophobicContact CD1-CD1 4.09Å; L294-V444 HydrophobicContact CD1-CG1 4.2Å; L294-Y445 PolarHBondContact N-O 2.82Å; L294-Y446 HydrophobicContact CB-CD2 4.17Å; L294-Y446 WeakPolarHBondContact O-CD2 3.45Å; L294-P447 WeakPolarHBondContact O-CD 3.39Å |
| 295 | S | 97.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | trans | -110.1 | 60.7 | 179.5 | -159.6 | 0 | 0 | 0 | 0 | 113.6 | V12 G17 G18 I293 P447 N448 | V12-S295 CarbonylContact O-C 3.46Å; V12-S295 VanDerWaalsContact O-C 3.29Å; V12-S295 VanDerWaalsContact O-CA 3.32Å; V12-S295 WeakPolarHBondContact O-CA 3.46Å; V12-S295 PolarHBondContact O-N 3.3Å; G17-S295 WeakPolarHBondContact CA-OG 3.15Å; G18-S295 VanDerWaalsContact CA-CB 3.49Å; G18-S295 PolarHBondContact N-OG 3.36Å; I293-S295 PolarHBondContact O-N 3.45Å; S295-P447 WeakPolarHBondContact OG-CG 3.26Å; S295-N448 WeakPolarHBondContact CA-OD1 3.29Å; S295-N448 PolarHBondContact OG-OD1 2.99Å | ||
| 296 | L | 93.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.199 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -137.2 | 154.6 | 176.3 | 63.8 | 162 | 0 | 0 | 0 | 109.9 | V12 L294 L298 I304 Y446 | V12-L296 HydrophobicContact CB-CD2 4.41Å; V12-L296 HydrophobicContact CG1-CD2 4.12Å; L294-L296 HydrophobicContact CB-CD2 3.97Å; L294-L296 HydrophobicContact CD2-CD2 4.05Å; L296-L298 HydrophobicContact CD1-CD2 4.48Å; L296-L298 HydrophobicContact CD2-CD2 4.45Å; L296-L298 HydrophobicContact CG-CD2 4.25Å; L296-L298 PolarHBondContact O-N 3.29Å; L296-L298 VanDerWaalsContact O-N 3.13Å; L296-I304 HydrophobicContact CD1-CD1 3.86Å; L296-I304 HydrophobicContact CD2-CD1 4.29Å; L296-Y446 VanDerWaalsContact O-CE2 3.22Å; L296-Y446 WeakPolarHBondContact O-CE2 3.47Å; L296-Y446 PolarHBondContact O-OH 3.08Å |
| 297 | P | 89.8 | Confident | 92.6 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | -57.2 | 118.1 | 165.7 | -24.1 | 36.3 | 0 | 0 | 0 | 109.2 | H299 S302 Y317 L420 | P297-H299 PolarHBondContact O-CD2 2.99Å; P297-H299 VanDerWaalsContact O-CD2 3.23Å; P297-H299 PolarHBondContact O-N 3.34Å; P297-H299 VanDerWaalsContact O-N 3.12Å; P297-S302 PolarHBondContact O-OG 3.42Å; P297-Y317 HydrophobicContact CB-CD1 4.11Å; P297-Y317 HydrophobicContact CB-CD2 4.43Å; P297-Y317 HydrophobicContact CB-CE1 3.68Å; P297-Y317 HydrophobicContact CB-CE2 4Å; P297-Y317 HydrophobicContact CB-CG 4.48Å; P297-Y317 HydrophobicContact CG-CE1 4.11Å; P297-L420 HydrophobicContact CB-CD2 4.4Å | ||
| 298 | L | 89.6 | Confident | 92.4 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | trans | -87.9 | 71.5 | 172.9 | -71.3 | 174.6 | 0 | 0 | 0 | 108 | L296 L312 P313 L315 L440 Y446 | L296-L298 HydrophobicContact CD1-CD2 4.48Å; L296-L298 HydrophobicContact CD2-CD2 4.45Å; L296-L298 HydrophobicContact CG-CD2 4.25Å; L296-L298 PolarHBondContact O-N 3.29Å; L296-L298 VanDerWaalsContact O-N 3.13Å; L298-L312 HydrophobicContact CD1-CB 4.35Å; L298-L312 HydrophobicContact CD1-CD2 4.23Å; L298-L312 HydrophobicContact CD2-CD1 4.35Å; L298-P313 HydrophobicContact CB-CG 4.23Å; L298-P313 HydrophobicContact CD1-CG 3.73Å; L298-L315 PolarHBondContact O-N 3.2Å; L298-L440 HydrophobicContact CD1-CD1 4.31Å; L298-Y446 HydrophobicContact CB-CE2 4.29Å; L298-Y446 HydrophobicContact CD1-CD2 3.69Å; L298-Y446 HydrophobicContact CD1-CE1 4.43Å; L298-Y446 HydrophobicContact CD1-CE2 3.45Å; L298-Y446 VanDerWaalsContact CD1-CE2 3.45Å; L298-Y446 HydrophobicContact CD1-CG 4.34Å; L298-Y446 HydrophobicContact CG-CD2 4.3Å; L298-Y446 HydrophobicContact CG-CE2 3.61Å; L298-Y446 PolarHBondContact N-OH 3.03Å | ||
| 299 | H | 85.3 | Confident | 92.2 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -91.4 | 176.6 | -172.3 | 66.4 | 95 | 0 | 0 | 0 | 112.9 | P297 E301 S302 L315 Y317 L420 | P297-H299 PolarHBondContact O-CD2 2.99Å; P297-H299 VanDerWaalsContact O-CD2 3.23Å; P297-H299 PolarHBondContact O-N 3.34Å; P297-H299 VanDerWaalsContact O-N 3.12Å; H299-E301 IonicContact CE1-OE2 3.85Å; H299-E301 PolarHBondContact ND1-N 3.01Å; H299-E301 PolarHBondContact O-N 3.18Å; H299-S302 PolarHBondContact CD2-OG 3.02Å; H299-S302 PolarHBondContact N-OG 2.98Å; H299-S302 WeakPolarHBondContact O-CB 3.46Å; H299-S302 PolarHBondContact O-N 3.4Å; H299-S302 PolarHBondContact O-OG 2.73Å; H299-L315 VanDerWaalsContact CA-O 3.25Å; H299-L315 WeakPolarHBondContact CA-O 3.34Å; H299-Y317 HydrophobicContact CB-CD2 3.8Å; H299-Y317 HydrophobicContact CB-CG 4.12Å; H299-L420 HydrophobicContact CB-CD2 3.67Å; H299-L420 WeakPolarHBondContact CD2-CD2 3.33Å |
| 300 | Q | 77.7 | Confident | 92 | Very high | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -12.7 | -177.5 | 65.4 | -81.4 | -2.5 | 0 | 0 | 116.4 | L315 Y317 | Q300-L315 PolarHBondContact N-O 3.19Å; Q300-L315 PolarHBondContact OE1-O 3.25Å; Q300-Y317 PolarHBondContact NE2-O 2.83Å; Q300-Y317 VanDerWaalsContact OE1-N 3.08Å |
| 301 | E | 80.6 | Confident | 91.7 | Very high | 148 Ų | 148 | 50.1 Ų | 50.1 | 69% | 0.692 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 7 | 178.5 | -37.2 | 174.4 | 159.5 | 0 | 0 | 112.6 | H299 N303 | H299-E301 IonicContact CE1-OE2 3.85Å; H299-E301 PolarHBondContact ND1-N 3.01Å; H299-E301 PolarHBondContact O-N 3.18Å; E301-N303 PolarHBondContact O-N 2.69Å |
| 302 | S | 86 | Confident | 91.5 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | trans | -68.5 | 124.2 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | P297 H299 | P297-S302 PolarHBondContact O-OG 3.42Å; H299-S302 PolarHBondContact CD2-OG 3.02Å; H299-S302 PolarHBondContact N-OG 2.98Å; H299-S302 WeakPolarHBondContact O-CB 3.46Å; H299-S302 PolarHBondContact O-N 3.4Å; H299-S302 PolarHBondContact O-OG 2.73Å | ||
| 303 | N | 87.8 | Confident | 91.1 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | trans | -114.9 | 30.6 | -171.9 | 62.3 | -10.7 | 0 | 0 | 0 | 113.6 | E301 S305 | E301-N303 PolarHBondContact O-N 2.69Å; N303-S305 PolarHBondContact O-N 3.08Å | ||
| 304 | I | 93.8 | Very high | 90.4 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.097 | 32% | 0.317 | C | S | . | . | trans | -80.2 | 118.3 | 174.6 | -59.2 | 178.5 | 0 | 0 | 0 | 108.7 | K262 I264 L294 L296 T306 L312 | K262-I304 WeakPolarHBondContact O-CA 3.22Å; I264-I304 HydrophobicContact CD1-CG2 3.9Å; I264-I304 HydrophobicContact CG1-CG2 4.1Å; L294-I304 HydrophobicContact CD2-CD1 4.22Å; L296-I304 HydrophobicContact CD1-CD1 3.86Å; L296-I304 HydrophobicContact CD2-CD1 4.29Å; I304-T306 HydrophobicContact CG2-CG2 4.3Å; I304-L312 HydrophobicContact CB-CD1 4.21Å; I304-L312 HydrophobicContact CG2-CD1 4.37Å | ||
| 305 | S | 94.8 | Very high | 89.9 | Confident | 59 Ų | 59 | 61 Ų | 61 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144.9 | 173.2 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | K262 K263 I264 N303 | K262-S305 PolarHBondContact O-N 3.27Å; K262-S305 PolarHBondContact O-OG 3.17Å; K262-S305 VanDerWaalsContact O-OG 3.14Å; K263-S305 CarbonylContact C-O 3.59Å; K263-S305 VanDerWaalsContact CA-O 3.25Å; K263-S305 WeakPolarHBondContact CA-O 3.42Å; K263-S305 WeakPolarHBondContact CB-OG 3.41Å; K263-S305 VanDerWaalsContact CG-OG 3.27Å; K263-S305 WeakPolarHBondContact CG-OG 3.47Å; I264-S305 PolarHBondContact N-O 3.04Å; N303-S305 PolarHBondContact O-N 3.08Å |
| 306 | T | 95.4 | Very high | 89.6 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158 | -173.8 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | I264 I304 I310 L312 | I264-T306 HydrophobicContact CB-CG2 4.32Å; I264-T306 VanDerWaalsContact O-CA 3.28Å; I264-T306 WeakPolarHBondContact O-CA 3.39Å; I304-T306 HydrophobicContact CG2-CG2 4.3Å; T306-I310 HydrophobicContact CG2-CB 4.38Å; T306-I310 HydrophobicContact CG2-CG2 4.03Å; T306-I310 PolarHBondContact OG1-O 3.08Å; T306-L312 HydrophobicContact CG2-CD1 3.67Å; T306-L312 HydrophobicContact CG2-CD2 4.08Å; T306-L312 HydrophobicContact CG2-CG 3.81Å |
| 307 | S | 91.3 | Very high | 89.4 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | trans | -61.1 | 152.4 | 164.8 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | I264 T265 R266 D309 I310 | I264-S307 PolarHBondContact O-N 3Å; I264-S307 VanDerWaalsContact O-N 3.15Å; T265-S307 WeakPolarHBondContact CA-OG 3.24Å; R266-S307 PolarHBondContact N-OG 3.17Å; S307-D309 WeakPolarHBondContact CB-OD1 3.32Å; S307-D309 PolarHBondContact O-N 2.86Å; S307-I310 PolarHBondContact O-N 3.21Å | ||
| 308 | H | 92.1 | Very high | 89.3 | Confident | 181 Ų | 181 | 68.3 Ų | 68.3 | 84% | 0.838 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.6 | -175.1 | 67.9 | -79 | 0 | 0 | 0 | 115 | I310 | H308-I310 VanDerWaalsContact C-N 3.34Š|
| 309 | D | 92 | Very high | 89.3 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.3 | 176.9 | 66.5 | -64.8 | 0 | 0 | 0 | 113.4 | R266 S307 | R266-D309 IonicContact CZ-OD2 3.72Å; R266-D309 VanDerWaalsContact CZ-OD2 3.23Å; R266-D309 IonicContact NE-OD1 3.96Å; R266-D309 IonicContact NE-OD2 3.98Å; R266-D309 PolarHBondContact NE-OD2 2.81Å; R266-D309 IonicContact NH2-OD2 2.69Å; R266-D309 PolarHBondContact NH2-OD2 2.82Å; S307-D309 WeakPolarHBondContact CB-OD1 3.32Å; S307-D309 PolarHBondContact O-N 2.86Å |
| 310 | I | 93.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | trans | -102.4 | 95 | -177.7 | -53.2 | 168.1 | 0 | 0 | 0 | 109.1 | I264 L272 T306 S307 H308 L312 A441 V444 | I264-I310 HydrophobicContact CG2-CD1 3.98Å; L272-I310 HydrophobicContact CD2-CD1 4.03Å; T306-I310 HydrophobicContact CG2-CB 4.38Å; T306-I310 HydrophobicContact CG2-CG2 4.03Å; T306-I310 PolarHBondContact OG1-O 3.08Å; S307-I310 PolarHBondContact O-N 3.21Å; H308-I310 VanDerWaalsContact C-N 3.34Å; I310-L312 HydrophobicContact CG2-CD2 4.03Å; I310-A441 HydrophobicContact CB-CB 4.38Å; I310-A441 HydrophobicContact CG1-CB 3.93Å; I310-V444 HydrophobicContact CD1-CG2 3.95Å; I310-V444 HydrophobicContact CG1-CG2 4.2Å; I310-V444 HydrophobicContact CG2-CG1 4.1Å; I310-V444 HydrophobicContact CG2-CG2 4.49Å | ||
| 311 | K | 92 | Very high | 90.4 | Very high | 166 Ų | 166 | 66.4 Ų | 66.4 | 72% | 0.722 | 34% | 0.339 | S | S | * | . | trans | -84.8 | 113.5 | 175.4 | -65.5 | -177.3 | -179.3 | 179.2 | 0 | 110.2 | ||||
| 312 | L | 92.9 | Very high | 91 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | trans | -84.9 | 136.4 | 173.6 | -59.9 | -172.2 | 0 | 0 | 0 | 110.2 | L294 L298 I304 T306 I310 L440 | L294-L312 HydrophobicContact CD1-CD2 3.58Å; L298-L312 HydrophobicContact CD1-CB 4.35Å; L298-L312 HydrophobicContact CD1-CD2 4.23Å; L298-L312 HydrophobicContact CD2-CD1 4.35Å; I304-L312 HydrophobicContact CB-CD1 4.21Å; I304-L312 HydrophobicContact CG2-CD1 4.37Å; T306-L312 HydrophobicContact CG2-CD1 3.67Å; T306-L312 HydrophobicContact CG2-CD2 4.08Å; T306-L312 HydrophobicContact CG2-CG 3.81Å; I310-L312 HydrophobicContact CG2-CD2 4.03Å; L312-L440 HydrophobicContact CD2-CD1 3.72Å | ||
| 313 | P | 90.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | trans | -66 | 150.9 | 170.5 | 28.8 | -36.3 | 0 | 0 | 0 | 110.8 | L298 L315 L440 Y446 | L298-P313 HydrophobicContact CB-CG 4.23Å; L298-P313 HydrophobicContact CD1-CG 3.73Å; P313-L315 HydrophobicContact CB-CG 4.46Å; P313-L440 HydrophobicContact CG-CD2 4.45Å; P313-Y446 HydrophobicContact CG-CD1 4.15Å; P313-Y446 HydrophobicContact CG-CE1 3.94Å | ||
| 314 | S | 84.2 | Confident | 91.9 | Very high | 104 Ų | 104 | 52.7 Ų | 52.7 | 73% | 0.727 | 27% | 0.267 | S | S | * | . | trans | -113.9 | 103.9 | 167.5 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 315 | L | 86.8 | Confident | 91.9 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 136.2 | 179.7 | -65.3 | 174 | 0 | 0 | 0 | 109.5 | L298 H299 Q300 P313 Y317 Y446 | L298-L315 PolarHBondContact O-N 3.2Å; H299-L315 VanDerWaalsContact CA-O 3.25Å; H299-L315 WeakPolarHBondContact CA-O 3.34Å; Q300-L315 PolarHBondContact N-O 3.19Å; Q300-L315 PolarHBondContact OE1-O 3.25Å; P313-L315 HydrophobicContact CB-CG 4.46Å; L315-Y317 HydrophobicContact CB-CD2 3.96Å; L315-Y317 HydrophobicContact CB-CE2 3.69Å; L315-Y317 HydrophobicContact CD1-CE2 4.11Å; L315-Y317 PolarHBondContact O-N 2.87Å; L315-Y446 HydrophobicContact CD1-CE1 4.49Å |
| 316 | R | 90.8 | Very high | 91.8 | Very high | 183 Ų | 183 | 49.2 Ų | 49.2 | 69% | 0.691 | 24% | 0.244 | S | C | * | . | trans | -79 | 121.7 | 170.3 | -172.5 | 178.5 | -177.4 | 171.6 | 1.1 | 108.9 | P423 T424 | R316-P423 CarbonylContact O-C 3.54Å; R316-P423 WeakPolarHBondContact O-CA 3.41Å; R316-T424 WeakPolarHBondContact CG-OG1 3.29Å; R316-T424 PolarHBondContact O-N 2.9Å; R316-T424 PolarHBondContact O-OG1 2.82Å | ||
| 317 | Y | 91 | Very high | 91.6 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.9 | 173.2 | -85.4 | -112.9 | 0 | 0 | 0 | 111.1 | P297 H299 Q300 L315 L420 Y422 P423 E451 | P297-Y317 HydrophobicContact CB-CD1 4.11Å; P297-Y317 HydrophobicContact CB-CD2 4.43Å; P297-Y317 HydrophobicContact CB-CE1 3.68Å; P297-Y317 HydrophobicContact CB-CE2 4Å; P297-Y317 HydrophobicContact CB-CG 4.48Å; P297-Y317 HydrophobicContact CG-CE1 4.11Å; H299-Y317 HydrophobicContact CB-CD2 3.8Å; H299-Y317 HydrophobicContact CB-CG 4.12Å; Q300-Y317 PolarHBondContact NE2-O 2.83Å; Q300-Y317 VanDerWaalsContact OE1-N 3.08Å; L315-Y317 HydrophobicContact CB-CD2 3.96Å; L315-Y317 HydrophobicContact CB-CE2 3.69Å; L315-Y317 HydrophobicContact CD1-CE2 4.11Å; L315-Y317 PolarHBondContact O-N 2.87Å; Y317-L420 HydrophobicContact CD1-CD2 4.21Å; Y317-L420 HydrophobicContact CD1-CG 4.17Å; Y317-L420 HydrophobicContact CG-CD2 4.05Å; Y317-L420 HydrophobicContact CG-CG 4.19Å; Y317-Y422 WeakPolarHBondContact CA-O 3.32Å; Y317-Y422 WeakPolarHBondContact CD1-O 3.47Å; Y317-P423 HydrophobicContact CE1-CG 3.95Å; Y317-P423 HydrophobicContact CE2-CB 4.45Å; Y317-P423 HydrophobicContact CE2-CG 3.91Å; Y317-E451 PolarHBondContact OH-OE2 3.15Å |
| 318 | H | 86.3 | Confident | 91.6 | Very high | 37 Ų | 37 | 48.5 Ų | 48.5 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.7 | 175 | -67.5 | -92 | 0 | 0 | 0 | 111.6 | A421 Y422 T424 | H318-A421 PolarHBondContact O-N 2.7Å; H318-Y422 PolarHBondContact N-O 3.27Å; H318-T424 PolarHBondContact CD2-OG1 3.01Å; H318-T424 WeakPolarHBondContact NE2-CA 3.41Å; H318-T424 VanDerWaalsContact NE2-CB 3.28Å; H318-T424 WeakPolarHBondContact NE2-CB 3.37Å; H318-T424 WeakPolarHBondContact NE2-CG2 3.4Å; H318-T424 PolarHBondContact NE2-OG1 2.74Å |
| 319 | E | 89.2 | Confident | 91.7 | Very high | 88 Ų | 88 | 40 Ų | 40 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135.8 | 164 | -168.3 | -174.7 | -174.2 | 0 | 0 | 109.5 | P389 W419 | E319-P389 HydrophobicContact CB-CG 4.3Å; E319-P389 HydrophobicContact CG-CG 3.97Å; E319-P389 VanDerWaalsContact O-CD 3.3Å; E319-P389 WeakPolarHBondContact O-CD 3.28Å; E319-W419 WeakPolarHBondContact CA-O 3.16Å |
| 320 | M | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.6 | 177.9 | -62.6 | -56.4 | -47.2 | 0 | 0 | 110 | C204 R364 S387 E388 R418 W419 A421 | C204-M320 HydrophobicContact CB-CE 3.42Å; C204-M320 VanDerWaalsContact CB-CE 3.42Å; C204-M320 HydrophobicContact CB-CG 4.28Å; C204-M320 HydrophobicContact CB-SD 3.47Å; C204-M320 WeakPolarHBondContact CB-SD 3.5Å; C204-M320 WeakPolarHBondContact SG-CE 3.44Å; M320-R364 HydrophobicContact CE-CG 4.22Å; M320-S387 VanDerWaalsContact CE-O 3.32Å; M320-S387 WeakPolarHBondContact CE-O 3.38Å; M320-E388 HydrophobicContact CE-CG 3.57Å; M320-E388 HydrophobicContact SD-CG 3.62Å; M320-R418 WeakPolarHBondContact O-CA 3.25Å; M320-W419 PolarHBondContact N-O 2.93Å; M320-W419 VanDerWaalsContact O-CD1 3.26Å; M320-W419 PolarHBondContact O-N 2.86Å; M320-A421 HydrophobicContact CB-CB 4.06Å; M320-A421 HydrophobicContact CG-CB 3.56Å |
| 321 | C | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130 | 165.6 | -70.3 | 0 | 0 | 0 | 0 | 108.9 | F386 S387 P395 V416 V417 | C321-F386 WeakPolarHBondContact O-CA 3.37Å; C321-S387 WeakPolarHBondContact CB-O 3.46Å; C321-S387 PolarHBondContact N-O 3.49Å; C321-S387 PolarHBondContact O-N 3.24Å; C321-P395 HydrophobicContact CB-CG 4.21Å; C321-V416 HydrophobicContact CB-CG1 4.23Å; C321-V417 WeakPolarHBondContact CA-O 3.25Å |
| 322 | R | 95.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 3% | 0.034 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.6 | 160.5 | -164.8 | 171.1 | -176.1 | -168.2 | -21.4 | 108.8 | E59 S60 G61 F324 S384 I385 F386 V417 | E59-R322 PolarHBondContact O-NH1 2.78Å; E59-R322 PolarHBondContact O-NH2 3.11Å; E59-R322 VanDerWaalsContact O-NH2 3.11Å; S60-R322 WeakPolarHBondContact O-CD 3.36Å; G61-R322 PolarHBondContact O-NH1 3.47Å; G61-R322 VanDerWaalsContact O-NH1 3.1Å; R322-F324 HydrophobicContact CG-CE2 4.27Å; R322-F324 HydrophobicContact CG-CZ 3.97Å; R322-S384 PolarHBondContact NE-OG 3.38Å; R322-S384 PolarHBondContact NH2-OG 2.69Å; R322-I385 WeakPolarHBondContact CA-O 3.18Å; R322-F386 HydrophobicContact CB-CD1 4.05Å; R322-F386 HydrophobicContact CB-CE1 3.78Å; R322-F386 VanDerWaalsContact CD-CE1 3.49Å; R322-F386 HydrophobicContact CG-CD1 4.05Å; R322-F386 HydrophobicContact CG-CE1 3.66Å; R322-F386 HydrophobicContact CG-CZ 4.13Å; R322-V417 PolarHBondContact N-O 3.44Å; R322-V417 PolarHBondContact O-N 2.79Å |
| 323 | T | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.5 | 179.6 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | S384 I385 L399 I414 D415 V416 | T323-S384 CarbonylContact O-C 3.29Å; T323-S384 VanDerWaalsContact O-CA 3.29Å; T323-S384 WeakPolarHBondContact O-CA 3.49Å; T323-I385 PolarHBondContact N-O 3.28Å; T323-I385 PolarHBondContact O-N 3.38Å; T323-L399 HydrophobicContact CG2-CD1 3.96Å; T323-L399 WeakPolarHBondContact OG1-CD1 3.25Å; T323-I414 HydrophobicContact CG2-CD1 3.74Å; T323-I414 HydrophobicContact CG2-CG1 3.77Å; T323-D415 CarbonylContact C-O 3.57Å; T323-D415 WeakPolarHBondContact CA-O 3.34Å; T323-V416 HydrophobicContact CG2-CG2 4.06Å |
| 324 | F | 95 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.3 | 167.4 | -59.2 | -79.9 | 0 | 0 | 0 | 108.6 | V51 F53 C58 E59 R322 L369 V382 W383 S384 I414 D415 V417 | V51-F324 HydrophobicContact CG2-CD2 3.82Å; V51-F324 HydrophobicContact CG2-CE2 3.47Å; V51-F324 VanDerWaalsContact CG2-CE2 3.47Å; V51-F324 HydrophobicContact CG2-CZ 4.05Å; F53-F324 HydrophobicContact CD1-CB 3.83Å; F53-F324 HydrophobicContact CD2-CB 3.86Å; F53-F324 HydrophobicContact CE1-CB 3.84Å; F53-F324 HydrophobicContact CE2-CB 3.88Å; F53-F324 HydrophobicContact CG-CB 3.84Å; F53-F324 HydrophobicContact CG-CG 4.47Å; F53-F324 HydrophobicContact CZ-CB 3.86Å; C58-F324 HydrophobicContact CB-CD1 4Å; C58-F324 HydrophobicContact CB-CE1 3.65Å; C58-F324 HydrophobicContact CB-CZ 4.05Å; E59-F324 WeakPolarHBondContact O-CZ 3.36Å; R322-F324 HydrophobicContact CG-CE2 4.27Å; R322-F324 HydrophobicContact CG-CZ 3.97Å; F324-L369 HydrophobicContact CD1-CD1 4.03Å; F324-L369 HydrophobicContact CE1-CD1 3.91Å; F324-V382 HydrophobicContact CD1-CG1 4.41Å; F324-W383 CarbonylContact C-O 3.53Å; F324-W383 VanDerWaalsContact CA-O 3.3Å; F324-W383 WeakPolarHBondContact CA-O 3.42Å; F324-S384 WeakPolarHBondContact CE1-OG 3.27Å; F324-I414 VanDerWaalsContact O-CA 3.26Å; F324-I414 WeakPolarHBondContact O-CA 3.5Å; F324-D415 PolarHBondContact N-O 3.42Å; F324-D415 PolarHBondContact O-N 3.4Å; F324-V417 HydrophobicContact CE2-CG2 4.16Å |
| 325 | L | 94.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.5 | 176.6 | 100.2 | 121.3 | 0 | 0 | 0 | 111.1 | I329 V382 W383 I385 I403 L404 Q413 | L325-I329 HydrophobicContact CD1-CD1 4.12Å; L325-V382 WeakPolarHBondContact O-CA 3.37Å; L325-W383 HydrophobicContact CD2-CB 3.47Å; L325-W383 VanDerWaalsContact CD2-CB 3.47Å; L325-W383 HydrophobicContact CD2-CG 4.36Å; L325-W383 HydrophobicContact CG-CB 3.94Å; L325-W383 PolarHBondContact N-O 3.12Å; L325-W383 PolarHBondContact O-N 3.01Å; L325-I385 HydrophobicContact CD2-CD1 3.37Å; L325-I385 HydrophobicContact CD2-CG1 4.26Å; L325-I403 HydrophobicContact CD1-CG2 4.39Å; L325-I403 HydrophobicContact CD2-CG2 4Å; L325-L404 HydrophobicContact CD1-CD1 3.78Å; L325-L404 HydrophobicContact CD1-CD2 3.27Å; L325-L404 HydrophobicContact CD1-CG 3.42Å; L325-L404 VanDerWaalsContact CD1-CG 3.42Å; L325-Q413 CarbonylContact C-O 3.55Å; L325-Q413 WeakPolarHBondContact CA-O 3.38Å |
| 326 | S | 93.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135 | 166.2 | 180 | 0 | 0 | 0 | 0 | 109 | C54 L378 N412 Q413 | C54-S326 VanDerWaalsContact SG-CB 3.56Å; S326-L378 WeakPolarHBondContact OG-CD2 3.4Å; S326-N412 WeakPolarHBondContact O-CA 3.18Å; S326-Q413 PolarHBondContact N-O 2.81Å; S326-Q413 PolarHBondContact O-N 3.11Å |
| 327 | G | 91.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 162 | -176.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.8 | N412 | G327-N412 WeakPolarHBondContact CA-OD1 3.31Š|
| 328 | Q | 92 | Very high | 92.3 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | trans | -80.5 | 121.9 | 176.9 | -174.4 | 167 | 10 | 0 | 0 | 111.2 | K379 D380 L404 K405 Y406 | Q328-K379 HydrophobicContact CB-CD 4.29Å; Q328-D380 WeakPolarHBondContact CA-OD2 3.47Å; Q328-L404 WeakPolarHBondContact O-CA 3.2Å; Q328-L404 WeakPolarHBondContact O-CD2 3.16Å; Q328-K405 HydrophobicContact CG-CB 4.27Å; Q328-K405 HydrophobicContact CG-CD 4.35Å; Q328-K405 PolarHBondContact O-N 2.86Å; Q328-Y406 HydrophobicContact CB-CD2 4.45Å | ||
| 329 | I | 93.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 138.4 | -176.3 | -56.7 | -65.2 | 0 | 0 | 0 | 110.8 | L325 Y331 D380 W383 I403 L404 | L325-I329 HydrophobicContact CD1-CD1 4.12Å; I329-Y331 VanDerWaalsContact C-N 3.32Å; I329-Y331 HydrophobicContact CB-CD2 4.4Å; I329-Y331 HydrophobicContact CB-CE1 4.23Å; I329-Y331 HydrophobicContact CB-CE2 4.01Å; I329-Y331 HydrophobicContact CG2-CD1 4.12Å; I329-Y331 HydrophobicContact CG2-CE1 4.04Å; I329-Y331 HydrophobicContact CG2-CG 4.42Å; I329-Y331 PolarHBondContact O-N 3.38Å; I329-Y331 VanDerWaalsContact O-N 3.07Å; I329-D380 HydrophobicContact CB-CB 4.46Å; I329-D380 HydrophobicContact CG1-CB 3.73Å; I329-D380 PolarHBondContact N-OD2 3.08Å; I329-W383 HydrophobicContact CD1-CD2 4.16Å; I329-W383 HydrophobicContact CD1-CG 3.94Å; I329-W383 HydrophobicContact CG1-CD2 4.42Å; I329-W383 HydrophobicContact CG1-CG 4.5Å; I329-W383 HydrophobicContact CG1-CZ2 4.08Å; I329-I403 HydrophobicContact CD1-CG2 3.71Å; I329-I403 HydrophobicContact CG2-CG2 4.31Å; I329-L404 HydrophobicContact CD1-CD2 4.33Å |
| 330 | N | 93.8 | Very high | 91.3 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | trans | -80.2 | 77.9 | 170.4 | -175.1 | 12.4 | 0 | 0 | 0 | 110.7 | S332 L333 I403 K405 | N330-S332 PolarHBondContact O-N 2.66Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-N 2.93Å; N330-S332 PolarHBondContact OD1-OG 3.29Å; N330-L333 WeakPolarHBondContact O-CB 3.5Å; N330-L333 PolarHBondContact O-N 3.2Å; N330-I403 PolarHBondContact N-O 3.04Å; N330-K405 HydrophobicContact CB-CB 4.29Å | ||
| 331 | Y | 93.5 | Very high | 91 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -59.4 | -21.8 | 178.5 | -67.6 | -69.6 | 0 | 0 | 0 | 114 | I329 L333 F334 L336 L338 L341 D380 W383 | I329-Y331 VanDerWaalsContact C-N 3.32Å; I329-Y331 HydrophobicContact CB-CD2 4.4Å; I329-Y331 HydrophobicContact CB-CE1 4.23Å; I329-Y331 HydrophobicContact CB-CE2 4.01Å; I329-Y331 HydrophobicContact CG2-CD1 4.12Å; I329-Y331 HydrophobicContact CG2-CE1 4.04Å; I329-Y331 HydrophobicContact CG2-CG 4.42Å; I329-Y331 PolarHBondContact O-N 3.38Å; I329-Y331 VanDerWaalsContact O-N 3.07Å; Y331-L333 PolarHBondContact O-N 2.9Å; Y331-F334 PolarHBondContact O-N 3.39Å; Y331-L336 CarbonylContact C-O 3.56Å; Y331-L336 WeakPolarHBondContact CB-O 3.37Å; Y331-L336 HydrophobicContact CD1-CD1 4.36Å; Y331-L336 PolarHBondContact O-N 3.41Å; Y331-L336 VanDerWaalsContact O-N 3.09Å; Y331-L338 WeakPolarHBondContact CD2-O 3.24Å; Y331-L338 HydrophobicContact CG-CB 4.41Å; Y331-L341 HydrophobicContact CE1-CD1 4.29Å; Y331-L341 HydrophobicContact CE1-CD2 4.28Å; Y331-L341 HydrophobicContact CE1-CG 3.95Å; Y331-D380 WeakPolarHBondContact CE2-OD1 3.45Å; Y331-D380 VanDerWaalsContact OH-CG 3.28Å; Y331-D380 PolarHBondContact OH-OD1 3.21Å; Y331-W383 HydrophobicContact CE1-CZ2 4.18Å |
| 332 | S | 93 | Very high | 90.4 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 56% | 0.559 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -66.7 | -21.1 | 175.3 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | N330 F334 D335 | N330-S332 PolarHBondContact O-N 2.66Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-N 2.93Å; N330-S332 PolarHBondContact OD1-OG 3.29Å; S332-F334 PolarHBondContact O-N 3.24Å; S332-D335 PolarHBondContact O-N 2.95Å |
| 333 | L | 93 | Very high | 89.7 | Confident | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.5 | -30 | 170.2 | 179.4 | 63 | 0 | 0 | 0 | 112.2 | Y100 N330 Y331 L402 | Y100-L333 WeakPolarHBondContact CB-O 3.47Å; Y100-L333 HydrophobicContact CD2-CD1 3.71Å; Y100-L333 HydrophobicContact CD2-CD2 4.18Å; Y100-L333 HydrophobicContact CD2-CG 4.08Å; Y100-L333 HydrophobicContact CG-CD1 4.13Å; Y100-L333 HydrophobicContact CG-CD2 4.19Å; Y100-L333 HydrophobicContact CG-CG 4.02Å; N330-L333 WeakPolarHBondContact O-CB 3.5Å; N330-L333 PolarHBondContact O-N 3.2Å; Y331-L333 PolarHBondContact O-N 2.9Å; L333-L402 HydrophobicContact CD1-CD1 4.28Å; L333-L402 HydrophobicContact CD2-CD1 4.04Å; L333-L402 HydrophobicContact CD2-CG 4.08Å; L333-L402 WeakPolarHBondContact CD2-O 3.46Å |
| 334 | F | 94.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -106.8 | 18 | -176.4 | -52.4 | -76.6 | 0 | 0 | 0 | 112.3 | L94 Y100 P102 Y331 S332 L336 F349 I366 | L94-F334 HydrophobicContact CD1-CB 4.06Å; Y100-F334 HydrophobicContact CD1-CD1 4.49Å; Y100-F334 AromaticContact CD1-CE1 3.77Å; Y100-F334 HydrophobicContact CD1-CE1 3.77Å; Y100-F334 HydrophobicContact CG-CE1 4.15Å; P102-F334 WeakPolarHBondContact CD-O 3.04Å; P102-F334 WeakPolarHBondContact CG-O 3.39Å; Y331-F334 PolarHBondContact O-N 3.39Å; S332-F334 PolarHBondContact O-N 3.24Å; F334-L336 HydrophobicContact CB-CD1 4.19Å; F334-L336 HydrophobicContact CB-CG 3.99Å; F334-L336 WeakPolarHBondContact O-CG 3.44Å; F334-L336 PolarHBondContact O-N 2.89Å; F334-L336 VanDerWaalsContact O-N 3.07Å; F334-F349 HydrophobicContact CB-CE2 4.4Å; F334-F349 AromaticContact CD1-CD2 3.69Å; F334-F349 HydrophobicContact CD1-CD2 3.69Å; F334-F349 AromaticContact CD1-CE2 3.9Å; F334-F349 HydrophobicContact CD1-CE2 3.9Å; F334-F349 HydrophobicContact CD2-CD2 4.19Å; F334-F349 AromaticContact CD2-CE2 3.62Å; F334-F349 HydrophobicContact CD2-CE2 3.62Å; F334-F349 AromaticContact CE1-CD2 3.58Å; F334-F349 HydrophobicContact CE1-CD2 3.58Å; F334-F349 HydrophobicContact CE1-CE2 4.03Å; F334-F349 HydrophobicContact CE2-CD2 4.09Å; F334-F349 AromaticContact CE2-CE2 3.75Å; F334-F349 HydrophobicContact CE2-CE2 3.75Å; F334-F349 AromaticContact CG-CD2 4Å; F334-F349 HydrophobicContact CG-CD2 4Å; F334-F349 AromaticContact CG-CE2 3.7Å; F334-F349 HydrophobicContact CG-CE2 3.7Å; F334-F349 AromaticContact CZ-CD2 3.8Å; F334-F349 HydrophobicContact CZ-CD2 3.8Å; F334-F349 AromaticContact CZ-CE2 3.96Å; F334-F349 HydrophobicContact CZ-CE2 3.96Å; F334-I366 HydrophobicContact CE1-CD1 3.85Å; F334-I366 HydrophobicContact CZ-CD1 3.78Å |
| 335 | D | 94.3 | Very high | 88.4 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 28.3 | -172.1 | -65.3 | -26.5 | 0 | 0 | 0 | 114.1 | P102 S332 | P102-D335 HydrophobicContact CG-CB 3.91Å; S332-D335 PolarHBondContact O-N 2.95Å |
| 336 | L | 92.2 | Very high | 88.1 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | trans | -95.5 | 116.1 | 178 | -59.9 | -178.7 | 0 | 0 | 0 | 110.3 | L94 V107 T108 Y331 F334 L338 F349 | L94-L336 HydrophobicContact CD1-CD1 3.92Å; L94-L336 HydrophobicContact CD1-CD2 4.08Å; L94-L336 HydrophobicContact CD1-CG 4.16Å; V107-L336 HydrophobicContact CB-CD1 4.31Å; V107-L336 HydrophobicContact CG1-CD1 3.93Å; T108-L336 HydrophobicContact CG2-CD2 4.2Å; Y331-L336 CarbonylContact C-O 3.56Å; Y331-L336 WeakPolarHBondContact CB-O 3.37Å; Y331-L336 HydrophobicContact CD1-CD1 4.36Å; Y331-L336 PolarHBondContact O-N 3.41Å; Y331-L336 VanDerWaalsContact O-N 3.09Å; F334-L336 HydrophobicContact CB-CD1 4.19Å; F334-L336 HydrophobicContact CB-CG 3.99Å; F334-L336 WeakPolarHBondContact O-CG 3.44Å; F334-L336 PolarHBondContact O-N 2.89Å; F334-L336 VanDerWaalsContact O-N 3.07Å; L336-L338 HydrophobicContact CB-CD1 4.49Å; L336-L338 PolarHBondContact O-N 2.86Å; L336-F349 HydrophobicContact CD1-CZ 4.01Å | ||
| 337 | Q | 86.9 | Confident | 88 | Confident | 198 Ų | 198 | 63.9 Ų | 63.9 | 93% | 0.925 | 32% | 0.317 | S | S | * | . | trans | -79.4 | 58.6 | 173.9 | -62.8 | -173.4 | -1.8 | 0 | 0 | 111.8 | ||||
| 338 | L | 84.7 | Confident | 88.1 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | trans | -122 | 150.6 | -178.8 | -67.7 | 174.6 | 0 | 0 | 0 | 111.4 | V107 T108 Y331 L336 L341 | V107-L338 HydrophobicContact CG1-CD1 4.4Å; T108-L338 HydrophobicContact CG2-CD1 3.67Å; T108-L338 HydrophobicContact CG2-CD2 4.21Å; T108-L338 HydrophobicContact CG2-CG 3.93Å; Y331-L338 WeakPolarHBondContact CD2-O 3.24Å; Y331-L338 HydrophobicContact CG-CB 4.41Å; L336-L338 HydrophobicContact CB-CD1 4.49Å; L336-L338 PolarHBondContact O-N 2.86Å; L338-L341 HydrophobicContact CD1-CD2 3.79Å | ||
| 339 | K | 74.8 | Confident | 88.3 | Confident | 185 Ų | 185 | 62.5 Ų | 62.5 | 80% | 0.804 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -94.3 | -33.3 | 169.7 | -67.1 | -173.6 | -179.2 | -179.1 | 0 | 112.7 | ||
| 340 | R | 80.4 | Confident | 88.5 | Confident | 189 Ų | 189 | 62.8 Ų | 62.8 | 71% | 0.713 | 31% | 0.312 | S | S | * | . | trans | -160.4 | 155.9 | 178.5 | 65.8 | 179.7 | -177.1 | 179.5 | 1.6 | 110.8 | D380 | R340-D380 WeakPolarHBondContact CA-OD1 3.24Š| ||
| 341 | L | 85.3 | Confident | 88.6 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -84.6 | 162 | 169 | -61.9 | 179.3 | 0 | 0 | 0 | 111.4 | V107 Y331 L338 Q345 A347 R368 W383 | V107-L341 HydrophobicContact CG1-CD2 3.51Å; Y331-L341 HydrophobicContact CE1-CD1 4.29Å; Y331-L341 HydrophobicContact CE1-CD2 4.28Å; Y331-L341 HydrophobicContact CE1-CG 3.95Å; L338-L341 HydrophobicContact CD1-CD2 3.79Å; L341-Q345 HydrophobicContact CB-CB 4.46Å; L341-A347 HydrophobicContact CD1-CB 3.68Å; L341-R368 VanDerWaalsContact CB-NH1 3.31Å; L341-W383 HydrophobicContact CD1-CH2 3.95Å; L341-W383 HydrophobicContact CD1-CZ2 3.81Å | ||
| 342 | K | 82.4 | Confident | 88.8 | Confident | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 30% | 0.302 | S | S | . | . | trans | -64.8 | 150 | 175.9 | -56.4 | 171.6 | -175.2 | 169.1 | 0 | 110.5 | D90 Q110 N344 Q345 R368 | D90-K342 IonicContact OD2-NZ 3.24Å; Q110-K342 PolarHBondContact O-NZ 3.14Å; K342-N344 VanDerWaalsContact C-N 3.33Å; K342-N344 PolarHBondContact O-N 2.95Å; K342-Q345 HydrophobicContact CB-CB 3.96Å; K342-Q345 VanDerWaalsContact O-CB 3.3Å; K342-Q345 WeakPolarHBondContact O-CB 3.18Å; K342-Q345 PolarHBondContact O-N 3.38Å; K342-R368 PolarHBondContact O-NH1 3.34Å | ||
| 343 | P | 78.8 | Confident | 88.9 | Confident | 120 Ų | 120 | 58.8 Ų | 58.8 | 78% | 0.779 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -43.8 | -176.9 | -29.3 | 36.2 | 0 | 0 | 0 | 114.7 | Q345 | P343-Q345 VanDerWaalsContact C-N 3.33Å; P343-Q345 PolarHBondContact O-N 2.97Å |
| 344 | N | 78.7 | Confident | 88.9 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 53% | 0.529 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 6.4 | -179.6 | 69.6 | -25.7 | 0 | 0 | 0 | 114.7 | D90 K342 W346 | D90-N344 PolarHBondContact N-O 2.66Å; D90-N344 VanDerWaalsContact N-O 3.1Å; K342-N344 VanDerWaalsContact C-N 3.33Å; K342-N344 PolarHBondContact O-N 2.95Å; N344-W346 PolarHBondContact O-N 3.19Å |
| 345 | Q | 85.5 | Confident | 88.9 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 111.2 | -175.1 | -174.8 | 174.5 | -14 | 0 | 0 | 111.3 | D90 R92 V107 L341 K342 P343 R368 | D90-Q345 HydrophobicContact CB-CB 4.45Å; D90-Q345 WeakPolarHBondContact O-CA 3.46Å; R92-Q345 HydrophobicContact CG-CG 3.73Å; V107-Q345 PolarHBondContact O-NE2 2.88Å; L341-Q345 HydrophobicContact CB-CB 4.46Å; K342-Q345 HydrophobicContact CB-CB 3.96Å; K342-Q345 VanDerWaalsContact O-CB 3.3Å; K342-Q345 WeakPolarHBondContact O-CB 3.18Å; K342-Q345 PolarHBondContact O-N 3.38Å; P343-Q345 VanDerWaalsContact C-N 3.33Å; P343-Q345 PolarHBondContact O-N 2.97Å; Q345-R368 PolarHBondContact O-NH1 3.12Å |
| 346 | W | 87.2 | Confident | 88.7 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 109.4 | 170.3 | 179.8 | -19.9 | 0 | 0 | 0 | 108.3 | L86 A89 D90 Q91 R92 N344 T348 T367 | L86-W346 HydrophobicContact CB-CE3 4.32Å; L86-W346 HydrophobicContact CB-CH2 4.25Å; L86-W346 HydrophobicContact CB-CZ3 3.58Å; L86-W346 HydrophobicContact CD1-CH2 3.23Å; L86-W346 HydrophobicContact CD1-CZ2 4.32Å; L86-W346 HydrophobicContact CD1-CZ3 3.46Å; L86-W346 VanDerWaalsContact CD1-CZ3 3.46Å; L86-W346 HydrophobicContact CD2-CE3 4.48Å; L86-W346 HydrophobicContact CD2-CH2 3.74Å; L86-W346 HydrophobicContact CD2-CZ3 3.3Å; L86-W346 HydrophobicContact CG-CH2 3.86Å; L86-W346 HydrophobicContact CG-CZ3 3.54Å; A89-W346 HydrophobicContact CB-CB 4.05Å; A89-W346 HydrophobicContact CB-CE3 3.99Å; D90-W346 PolarHBondContact O-N 3.14Å; Q91-W346 CarbonylContact C-O 3.56Å; Q91-W346 WeakPolarHBondContact CA-O 3.27Å; R92-W346 PolarHBondContact N-O 2.89Å; N344-W346 PolarHBondContact O-N 3.19Å; W346-T348 PolarHBondContact NE1-OG1 2.87Å; W346-T367 HydrophobicContact CZ2-CG2 4.45Å |
| 347 | A | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R92 L341 F349 T367 R368 | R92-A347 HydrophobicContact CB-CB 4.4Å; L341-A347 HydrophobicContact CD1-CB 3.68Å; A347-F349 HydrophobicContact CB-CD1 4.44Å; A347-F349 HydrophobicContact CB-CE1 3.78Å; A347-T367 CarbonylContact O-C 3.56Å; A347-T367 WeakPolarHBondContact O-CA 2.87Å; A347-R368 HydrophobicContact CB-CB 4.48Å; A347-R368 PolarHBondContact O-N 2.88Å |
| 348 | T | 94 | Very high | 88.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.5 | 174 | -72.9 | 0 | 0 | 0 | 0 | 109.3 | R92 L93 L94 W346 L350 T367 | R92-T348 PolarHBondContact O-N 3.33Å; L93-T348 WeakPolarHBondContact CA-O 3.23Å; L94-T348 PolarHBondContact N-O 2.88Å; W346-T348 PolarHBondContact NE1-OG1 2.87Å; T348-L350 HydrophobicContact CG2-CD1 4.32Å; T348-L350 HydrophobicContact CG2-CD2 3.47Å; T348-L350 VanDerWaalsContact CG2-CD2 3.47Å; T348-L350 HydrophobicContact CG2-CG 3.8Å; T348-T367 VanDerWaalsContact OG1-CG2 3.32Å; T348-T367 WeakPolarHBondContact OG1-CG2 3.15Å; T348-T367 PolarHBondContact OG1-OG1 3.04Å; T348-T367 VanDerWaalsContact OG1-OG1 3.1Å |
| 349 | F | 96.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.3 | 179.2 | -55 | -6 | 0 | 0 | 0 | 108.2 | L94 F96 V107 F334 L336 A347 S365 I366 W383 | L94-F349 HydrophobicContact CB-CB 4.3Å; L94-F349 HydrophobicContact CB-CD1 3.45Å; L94-F349 VanDerWaalsContact CB-CD1 3.45Å; L94-F349 HydrophobicContact CB-CE1 3.88Å; L94-F349 HydrophobicContact CB-CG 3.93Å; L94-F349 HydrophobicContact CD1-CD1 4.41Å; L94-F349 HydrophobicContact CD1-CE1 4.26Å; L94-F349 HydrophobicContact CD1-CZ 4.31Å; L94-F349 HydrophobicContact CD2-CB 4.3Å; L94-F349 HydrophobicContact CD2-CG 4.28Å; L94-F349 HydrophobicContact CG-CD1 4.37Å; L94-F349 CarbonylContact O-C 3.59Å; L94-F349 VanDerWaalsContact O-CA 3.26Å; L94-F349 WeakPolarHBondContact O-CA 3.45Å; F96-F349 HydrophobicContact CD1-CB 4.01Å; F96-F349 HydrophobicContact CE1-CB 3.87Å; V107-F349 HydrophobicContact CG1-CE1 4.5Å; V107-F349 HydrophobicContact CG2-CE1 3.78Å; F334-F349 HydrophobicContact CB-CE2 4.4Å; F334-F349 AromaticContact CD1-CD2 3.69Å; F334-F349 HydrophobicContact CD1-CD2 3.69Å; F334-F349 AromaticContact CD1-CE2 3.9Å; F334-F349 HydrophobicContact CD1-CE2 3.9Å; F334-F349 HydrophobicContact CD2-CD2 4.19Å; F334-F349 AromaticContact CD2-CE2 3.62Å; F334-F349 HydrophobicContact CD2-CE2 3.62Å; F334-F349 AromaticContact CE1-CD2 3.58Å; F334-F349 HydrophobicContact CE1-CD2 3.58Å; F334-F349 HydrophobicContact CE1-CE2 4.03Å; F334-F349 HydrophobicContact CE2-CD2 4.09Å; F334-F349 AromaticContact CE2-CE2 3.75Å; F334-F349 HydrophobicContact CE2-CE2 3.75Å; F334-F349 AromaticContact CG-CD2 4Å; F334-F349 HydrophobicContact CG-CD2 4Å; F334-F349 AromaticContact CG-CE2 3.7Å; F334-F349 HydrophobicContact CG-CE2 3.7Å; F334-F349 AromaticContact CZ-CD2 3.8Å; F334-F349 HydrophobicContact CZ-CD2 3.8Å; F334-F349 AromaticContact CZ-CE2 3.96Å; F334-F349 HydrophobicContact CZ-CE2 3.96Å; L336-F349 HydrophobicContact CD1-CZ 4.01Å; A347-F349 HydrophobicContact CB-CD1 4.44Å; A347-F349 HydrophobicContact CB-CE1 3.78Å; F349-S365 WeakPolarHBondContact O-CA 3.41Å; F349-I366 HydrophobicContact CB-CB 4.18Å; F349-I366 HydrophobicContact CD2-CG2 4.47Å; F349-I366 PolarHBondContact N-O 3.17Å; F349-I366 PolarHBondContact O-N 3.48Å; F349-W383 HydrophobicContact CD2-CZ3 4.39Å; F349-W383 HydrophobicContact CE1-CH2 4.4Å; F349-W383 HydrophobicContact CE2-CH2 4.03Å; F349-W383 HydrophobicContact CE2-CZ3 4.05Å; F349-W383 AromaticContact CZ-CH2 3.81Å; F349-W383 HydrophobicContact CZ-CH2 3.81Å; F349-W383 HydrophobicContact CZ-CZ3 4.13Å |
| 350 | L | 96.9 | Very high | 88.4 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.1 | -175 | -55.5 | -179 | 0 | 0 | 0 | 111.1 | L93 L94 L95 F96 T348 | L93-L350 HydrophobicContact CD1-CD1 3.8Å; L93-L350 HydrophobicContact CD1-CG 4Å; L94-L350 PolarHBondContact O-N 3.25Å; L95-L350 CarbonylContact C-O 3.57Å; L95-L350 VanDerWaalsContact CA-O 3.3Å; L95-L350 WeakPolarHBondContact CA-O 3.46Å; L95-L350 HydrophobicContact CD2-CB 3.83Å; L95-L350 HydrophobicContact CD2-CD1 4.41Å; L95-L350 HydrophobicContact CD2-CG 4.48Å; F96-L350 WeakPolarHBondContact CD1-O 3.42Å; F96-L350 PolarHBondContact N-O 3.41Å; T348-L350 HydrophobicContact CG2-CD1 4.32Å; T348-L350 HydrophobicContact CG2-CD2 3.47Å; T348-L350 VanDerWaalsContact CG2-CD2 3.47Å; T348-L350 HydrophobicContact CG2-CG 3.8Å |
| 351 | P | 96.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 151.1 | 172.1 | 31.3 | -34.7 | 0 | 0 | 0 | 110.6 | F96 F196 G197 Y355 Y356 R364 | F96-P351 HydrophobicContact CD2-CB 4.41Å; F96-P351 HydrophobicContact CE2-CB 3.72Å; F96-P351 HydrophobicContact CZ-CB 3.88Å; F96-P351 HydrophobicContact CZ-CG 4.41Å; F96-P351 CarbonylContact O-C 3.29Å; F96-P351 WeakPolarHBondContact O-CA 3.48Å; F196-P351 WeakPolarHBondContact CD1-O 3.33Å; F196-P351 HydrophobicContact CE1-CB 4.47Å; F196-P351 HydrophobicContact CE1-CG 4.28Å; G197-P351 VanDerWaalsContact CA-O 3.28Å; G197-P351 WeakPolarHBondContact CA-O 3.31Å; P351-Y355 HydrophobicContact CB-CD1 3.38Å; P351-Y355 HydrophobicContact CB-CE1 3.98Å; P351-Y355 HydrophobicContact CB-CG 3.87Å; P351-Y355 HydrophobicContact CG-CD1 4.38Å; P351-Y356 HydrophobicContact CB-CE2 4.16Å; P351-Y356 HydrophobicContact CG-CE2 3.91Å; P351-R364 WeakPolarHBondContact CD-O 3.39Å |
| 352 | I | 96.6 | Very high | 88.5 | Confident | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | trans | -94.6 | 170.4 | 163.9 | 74.1 | 172.9 | 0 | 0 | 0 | 110.4 | L95 F96 E97 V103 N192 E193 F196 S354 Y355 | L95-I352 HydrophobicContact CB-CG2 3.93Å; F96-I352 PolarHBondContact O-N 2.85Å; E97-I352 HydrophobicContact CB-CD1 3.77Å; E97-I352 HydrophobicContact CB-CG1 3.98Å; V103-I352 HydrophobicContact CG1-CD1 4Å; V103-I352 HydrophobicContact CG2-CD1 4.12Å; V103-I352 HydrophobicContact CG2-CG2 3.81Å; N192-I352 WeakPolarHBondContact O-CB 3.24Å; E193-I352 HydrophobicContact CB-CB 4.49Å; E193-I352 HydrophobicContact CB-CG2 3.88Å; E193-I352 HydrophobicContact CG-CB 4.26Å; E193-I352 HydrophobicContact CG-CG2 3.87Å; F196-I352 VanDerWaalsContact CD1-C 3.44Å; F196-I352 WeakPolarHBondContact CE1-O 3.19Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 WeakPolarHBondContact CD1-OG 3.41Å; I352-S354 WeakPolarHBondContact CG1-OG 3.23Å; I352-S354 PolarHBondContact O-N 3.46Å; I352-Y355 VanDerWaalsContact O-CB 3.23Å; I352-Y355 WeakPolarHBondContact O-CB 3.36Å; I352-Y355 PolarHBondContact O-N 2.92Å | ||
| 353 | S | 95.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.8 | -174.6 | 59.5 | 0 | 0 | 0 | 0 | 114.9 | N192 Y355 Y356 | N192-S353 VanDerWaalsContact CB-OG 3.29Å; N192-S353 WeakPolarHBondContact CB-OG 3.33Å; N192-S353 PolarHBondContact O-N 2.9Å; N192-S353 PolarHBondContact O-OG 3.38Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 3.26Å; S353-Y356 PolarHBondContact O-N 2.86Å |
| 354 | S | 94.2 | Very high | 89.8 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 22% | 0.217 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -36.8 | -179 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | E98 I352 Y356 S357 N358 | E98-S354 WeakPolarHBondContact OE1-CB 3.28Å; E98-S354 PolarHBondContact OE1-OG 3.41Å; E98-S354 VanDerWaalsContact OE1-OG 3.13Å; I352-S354 VanDerWaalsContact C-N 3.32Å; I352-S354 WeakPolarHBondContact CD1-OG 3.41Å; I352-S354 WeakPolarHBondContact CG1-OG 3.23Å; I352-S354 PolarHBondContact O-N 3.46Å; S354-Y356 PolarHBondContact O-N 2.99Å; S354-Y356 VanDerWaalsContact O-N 3.11Å; S354-S357 WeakPolarHBondContact O-CA 3.32Å; S354-S357 WeakPolarHBondContact O-CB 3.38Å; S354-S357 PolarHBondContact O-N 2.78Å; S354-N358 PolarHBondContact O-N 2.94Å; S354-N358 PolarHBondContact O-ND2 3.48Å |
| 355 | Y | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -49.3 | -43.6 | -179.9 | 179.3 | -108.7 | 0 | 0 | 0 | 112.7 | F96 E97 E98 Y100 P351 I352 S353 S357 N358 E359 P362 V363 | F96-Y355 HydrophobicContact CD2-CD2 4.05Å; F96-Y355 HydrophobicContact CD2-CE2 4.07Å; F96-Y355 HydrophobicContact CD2-CG 4.48Å; F96-Y355 HydrophobicContact CE2-CD1 4.19Å; F96-Y355 AromaticContact CE2-CD2 3.92Å; F96-Y355 HydrophobicContact CE2-CD2 3.92Å; F96-Y355 AromaticContact CE2-CE1 3.94Å; F96-Y355 HydrophobicContact CE2-CE1 3.94Å; F96-Y355 AromaticContact CE2-CE2 3.68Å; F96-Y355 HydrophobicContact CE2-CE2 3.68Å; F96-Y355 HydrophobicContact CE2-CG 4.16Å; F96-Y355 AromaticContact CE2-CZ 3.68Å; E97-Y355 WeakPolarHBondContact O-CD2 3.37Å; E98-Y355 PolarHBondContact OE1-N 3.41Å; Y100-Y355 HydrophobicContact CE1-CE2 4.35Å; Y100-Y355 WeakPolarHBondContact CE1-OH 3.47Å; Y100-Y355 PolarHBondContact OH-OH 3.3Å; P351-Y355 HydrophobicContact CB-CD1 3.38Å; P351-Y355 HydrophobicContact CB-CE1 3.98Å; P351-Y355 HydrophobicContact CB-CG 3.87Å; P351-Y355 HydrophobicContact CG-CD1 4.38Å; I352-Y355 VanDerWaalsContact O-CB 3.23Å; I352-Y355 WeakPolarHBondContact O-CB 3.36Å; I352-Y355 PolarHBondContact O-N 2.92Å; S353-Y355 VanDerWaalsContact C-N 3.28Å; S353-Y355 PolarHBondContact O-N 3.26Å; Y355-S357 VanDerWaalsContact C-N 3.28Å; Y355-S357 PolarHBondContact O-N 2.93Å; Y355-N358 PolarHBondContact O-N 2.93Å; Y355-E359 HydrophobicContact CD2-CB 3.77Å; Y355-E359 HydrophobicContact CD2-CG 4.09Å; Y355-E359 HydrophobicContact CE1-CB 4.42Å; Y355-E359 HydrophobicContact CE1-CG 4.4Å; Y355-E359 HydrophobicContact CE2-CB 3.63Å; Y355-E359 HydrophobicContact CE2-CG 3.41Å; Y355-E359 VanDerWaalsContact CE2-CG 3.41Å; Y355-E359 HydrophobicContact CG-CB 4.23Å; Y355-E359 WeakPolarHBondContact O-CB 3.43Å; Y355-E359 PolarHBondContact O-N 3.06Å; Y355-P362 HydrophobicContact CD1-CB 3.98Å; Y355-P362 VanDerWaalsContact CE1-CA 3.42Å; Y355-P362 HydrophobicContact CE1-CB 3.42Å; Y355-P362 VanDerWaalsContact CE1-CB 3.42Å; Y355-P362 WeakPolarHBondContact OH-CA 3.43Å; Y355-V363 WeakPolarHBondContact CE1-O 3.45Å; Y355-V363 PolarHBondContact OH-N 3.17Å |
| 356 | Y | 89.3 | Confident | 91.1 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 14% | 0.137 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.9 | -15.7 | -178.9 | -88.2 | -89.3 | 0 | 0 | 0 | 114.6 | F196 P351 S353 S354 P362 V363 R364 | F196-Y356 AromaticContact CE1-CD2 3.64Å; F196-Y356 HydrophobicContact CE1-CD2 3.64Å; F196-Y356 HydrophobicContact CE1-CE2 4.06Å; F196-Y356 AromaticContact CZ-CD2 3.42Å; F196-Y356 HydrophobicContact CZ-CD2 3.42Å; F196-Y356 VanDerWaalsContact CZ-CD2 3.42Å; F196-Y356 HydrophobicContact CZ-CE2 4.12Å; F196-Y356 HydrophobicContact CZ-CG 4.03Å; P351-Y356 HydrophobicContact CB-CE2 4.16Å; P351-Y356 HydrophobicContact CG-CE2 3.91Å; S353-Y356 PolarHBondContact O-N 2.86Å; S354-Y356 PolarHBondContact O-N 2.99Å; S354-Y356 VanDerWaalsContact O-N 3.11Å; Y356-P362 HydrophobicContact CD1-CB 3.86Å; Y356-P362 HydrophobicContact CD1-CG 3.95Å; Y356-P362 HydrophobicContact CE1-CB 3.49Å; Y356-P362 VanDerWaalsContact CE1-CB 3.49Å; Y356-P362 HydrophobicContact CE1-CG 3.66Å; Y356-P362 HydrophobicContact CE2-CB 4.27Å; Y356-P362 HydrophobicContact CG-CB 4.37Å; Y356-V363 PolarHBondContact OH-O 2.59Å; Y356-V363 VanDerWaalsContact OH-O 3.06Å; Y356-R364 VanDerWaalsContact CE1-CZ 3.42Å; Y356-R364 VanDerWaalsContact CZ-CZ 3.43Å; Y356-R364 WeakPolarHBondContact OH-CD 3.34Å; Y356-R364 WeakPolarHBondContact OH-CG 3.28Å; Y356-R364 PolarHBondContact OH-N 3.31Å; Y356-R364 PolarHBondContact OH-NE 3.05Å; Y356-R364 VanDerWaalsContact OH-NE 3.15Å |
| 357 | S | 84.4 | Confident | 91.4 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 68% | 0.678 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -83.4 | -24 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | S354 Y355 | S354-S357 WeakPolarHBondContact O-CA 3.32Å; S354-S357 WeakPolarHBondContact O-CB 3.38Å; S354-S357 PolarHBondContact O-N 2.78Å; Y355-S357 VanDerWaalsContact C-N 3.28Å; Y355-S357 PolarHBondContact O-N 2.93Å |
| 358 | N | 83.7 | Confident | 91.4 | Very high | 114 Ų | 114 | 33 Ų | 33 | 61% | 0.61 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -129.7 | -17.6 | -163.5 | -63.9 | -42.3 | 0 | 0 | 0 | 114 | E98 S354 Y355 | E98-N358 HydrophobicContact CG-CB 3.3Å; E98-N358 WeakPolarHBondContact OE1-CB 3.15Å; E98-N358 PolarHBondContact OE1-ND2 3.3Å; S354-N358 PolarHBondContact O-N 2.94Å; S354-N358 PolarHBondContact O-ND2 3.48Å; Y355-N358 PolarHBondContact O-N 2.93Å |
| 359 | E | 86.8 | Confident | 91 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | trans | -86.4 | 136.7 | 179.9 | -172.7 | 59.2 | -102.6 | 0 | 0 | 112.2 | G99 Y355 P362 | G99-E359 PolarHBondContact N-OE2 3.31Å; G99-E359 VanDerWaalsContact N-OE2 3.14Å; Y355-E359 HydrophobicContact CD2-CB 3.77Å; Y355-E359 HydrophobicContact CD2-CG 4.09Å; Y355-E359 HydrophobicContact CE1-CB 4.42Å; Y355-E359 HydrophobicContact CE1-CG 4.4Å; Y355-E359 HydrophobicContact CE2-CB 3.63Å; Y355-E359 HydrophobicContact CE2-CG 3.41Å; Y355-E359 VanDerWaalsContact CE2-CG 3.41Å; Y355-E359 HydrophobicContact CG-CB 4.23Å; Y355-E359 WeakPolarHBondContact O-CB 3.43Å; Y355-E359 PolarHBondContact O-N 3.06Å; E359-P362 HydrophobicContact CB-CB 4.36Å; E359-P362 HydrophobicContact CG-CB 4.45Å | ||
| 360 | K | 78.5 | Confident | 89.8 | Confident | 157 Ų | 157 | 37 Ų | 37 | 68% | 0.683 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -76.2 | -36.3 | -179.2 | -172.6 | -178.2 | 175.5 | -175.3 | 0 | 112.5 | P362 | K360-P362 VanDerWaalsContact C-CD 3.43Å; K360-P362 WeakPolarHBondContact O-CD 3.46Å |
| 361 | H | 80.7 | Confident | 88.5 | Confident | 82 Ų | 82 | 38.7 Ų | 38.7 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -126.1 | 64.7 | -176.2 | -62 | -63.1 | 0 | 0 | 0 | 111.5 | V363 Y391 I392 | H361-V363 PolarHBondContact O-N 2.78Å; H361-Y391 PolarHBondContact ND1-O 2.82Å; H361-I392 HydrophobicContact CB-CD1 4.34Å; H361-I392 HydrophobicContact CB-CG1 4.19Å |
| 362 | P | 86.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | trans | -69.5 | 130.7 | -171 | 28.5 | -36.6 | 0 | 0 | 0 | 112.9 | Y355 Y356 E359 K360 Y391 | Y355-P362 HydrophobicContact CD1-CB 3.98Å; Y355-P362 VanDerWaalsContact CE1-CA 3.42Å; Y355-P362 HydrophobicContact CE1-CB 3.42Å; Y355-P362 VanDerWaalsContact CE1-CB 3.42Å; Y355-P362 WeakPolarHBondContact OH-CA 3.43Å; Y356-P362 HydrophobicContact CD1-CB 3.86Å; Y356-P362 HydrophobicContact CD1-CG 3.95Å; Y356-P362 HydrophobicContact CE1-CB 3.49Å; Y356-P362 VanDerWaalsContact CE1-CB 3.49Å; Y356-P362 HydrophobicContact CE1-CG 3.66Å; Y356-P362 HydrophobicContact CE2-CB 4.27Å; Y356-P362 HydrophobicContact CG-CB 4.37Å; E359-P362 HydrophobicContact CB-CB 4.36Å; E359-P362 HydrophobicContact CG-CB 4.45Å; K360-P362 VanDerWaalsContact C-CD 3.43Å; K360-P362 WeakPolarHBondContact O-CD 3.46Å; P362-Y391 HydrophobicContact CG-CD1 4.34Å; P362-Y391 HydrophobicContact CG-CD2 3.77Å; P362-Y391 HydrophobicContact CG-CE2 4.11Å; P362-Y391 HydrophobicContact CG-CG 3.92Å | ||
| 363 | V | 94.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 150.1 | 168.2 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | F96 Y100 Y355 Y356 H361 I366 I385 I392 L399 | F96-V363 HydrophobicContact CZ-CG2 3.96Å; Y100-V363 HydrophobicContact CE1-CG2 3.85Å; Y355-V363 WeakPolarHBondContact CE1-O 3.45Å; Y355-V363 PolarHBondContact OH-N 3.17Å; Y356-V363 PolarHBondContact OH-O 2.59Å; Y356-V363 VanDerWaalsContact OH-O 3.06Å; H361-V363 PolarHBondContact O-N 2.78Å; V363-I366 HydrophobicContact CG2-CD1 3.92Å; V363-I366 HydrophobicContact CG2-CG1 3.93Å; V363-I385 HydrophobicContact CB-CG2 4.21Å; V363-I385 HydrophobicContact CG1-CG2 4.12Å; V363-I392 HydrophobicContact CG1-CD1 4Å; V363-L399 HydrophobicContact CG1-CD2 3.82Å |
| 364 | R | 94.1 | Very high | 82.8 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -30.7 | -176.6 | -71.5 | -70.3 | 179.5 | -173.3 | 0.4 | 113.9 | S200 C204 N206 M320 P351 Y356 F386 E388 | S200-R364 WeakPolarHBondContact OG-CD 3.49Å; S200-R364 PolarHBondContact OG-O 3.01Å; C204-R364 VanDerWaalsContact C-CZ 3.46Å; C204-R364 VanDerWaalsContact C-NE 3.35Å; C204-R364 HydrophobicContact CB-CB 4.45Å; C204-R364 HydrophobicContact CB-CG 3.8Å; C204-R364 PolarHBondContact O-NE 3.49Å; C204-R364 PolarHBondContact O-NH2 2.84Å; N206-R364 PolarHBondContact OD1-NH1 3.45Å; M320-R364 HydrophobicContact CE-CG 4.22Å; P351-R364 WeakPolarHBondContact CD-O 3.39Å; Y356-R364 VanDerWaalsContact CE1-CZ 3.42Å; Y356-R364 VanDerWaalsContact CZ-CZ 3.43Å; Y356-R364 WeakPolarHBondContact OH-CD 3.34Å; Y356-R364 WeakPolarHBondContact OH-CG 3.28Å; Y356-R364 PolarHBondContact OH-N 3.31Å; Y356-R364 PolarHBondContact OH-NE 3.05Å; Y356-R364 VanDerWaalsContact OH-NE 3.15Å; R364-F386 HydrophobicContact CB-CB 3.84Å; R364-F386 PolarHBondContact N-O 3.35Å; R364-E388 IonicContact CZ-OE1 2.77Å; R364-E388 IonicContact NE-OE1 3.61Å; R364-E388 PolarHBondContact NE-OE1 2.68Å; R364-E388 IonicContact NH2-OE1 3.86Å; R364-E388 PolarHBondContact NH2-OE1 3.28Å |
| 365 | S | 95.2 | Very high | 80.6 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 153.4 | 172.8 | 64.7 | 0 | 0 | 0 | 0 | 110.3 | F349 I385 F386 | F349-S365 WeakPolarHBondContact O-CA 3.41Å; S365-I385 WeakPolarHBondContact O-CA 3.31Å; S365-F386 PolarHBondContact O-N 2.89Å; S365-F386 VanDerWaalsContact O-N 3.08Å; S365-F386 WeakPolarHBondContact OG-CD2 3.32Å |
| 366 | I | 95.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.3 | 170.1 | -58.3 | 158.6 | 0 | 0 | 0 | 107.4 | Y100 F334 F349 V363 W383 I385 I403 | Y100-I366 HydrophobicContact CD1-CD1 4.32Å; Y100-I366 HydrophobicContact CE1-CD1 4.09Å; F334-I366 HydrophobicContact CE1-CD1 3.85Å; F334-I366 HydrophobicContact CZ-CD1 3.78Å; F349-I366 HydrophobicContact CB-CB 4.18Å; F349-I366 HydrophobicContact CD2-CG2 4.47Å; F349-I366 PolarHBondContact N-O 3.17Å; F349-I366 PolarHBondContact O-N 3.48Å; V363-I366 HydrophobicContact CG2-CD1 3.92Å; V363-I366 HydrophobicContact CG2-CG1 3.93Å; I366-W383 HydrophobicContact CG2-CE3 3.52Å; I366-W383 HydrophobicContact CG2-CZ3 3.78Å; I366-I385 HydrophobicContact CB-CG1 4.46Å; I366-I385 HydrophobicContact CG1-CG1 4.21Å; I366-I385 HydrophobicContact CG1-CG2 4.17Å; I366-I385 HydrophobicContact CG2-CG1 4.14Å; I366-I403 HydrophobicContact CD1-CD1 4.19Å; I366-I403 HydrophobicContact CG1-CD1 4.36Å |
| 367 | T | 93.9 | Very high | 77.3 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128.2 | -173.9 | -67 | 0 | 0 | 0 | 0 | 111.5 | W346 A347 T348 L369 W383 S384 | W346-T367 HydrophobicContact CZ2-CG2 4.45Å; A347-T367 CarbonylContact O-C 3.56Å; A347-T367 WeakPolarHBondContact O-CA 2.87Å; T348-T367 VanDerWaalsContact OG1-CG2 3.32Å; T348-T367 WeakPolarHBondContact OG1-CG2 3.15Å; T348-T367 PolarHBondContact OG1-OG1 3.04Å; T348-T367 VanDerWaalsContact OG1-OG1 3.1Å; T367-L369 HydrophobicContact CG2-CD2 4.43Å; T367-W383 CarbonylContact O-C 3.53Å; T367-W383 WeakPolarHBondContact O-CA 3.35Å; T367-S384 PolarHBondContact N-O 3.29Å; T367-S384 PolarHBondContact O-N 3.1Å |
| 368 | R | 91.7 | Very high | 76.5 | Confident | 20 Ų | 20 | 65 Ų | 65 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.3 | 167.8 | -173.6 | 169.4 | 179.8 | -126 | 5.8 | 110 | L341 K342 Q345 A347 D380 W383 | L341-R368 VanDerWaalsContact CB-NH1 3.31Å; K342-R368 PolarHBondContact O-NH1 3.34Å; Q345-R368 PolarHBondContact O-NH1 3.12Å; A347-R368 HydrophobicContact CB-CB 4.48Å; A347-R368 PolarHBondContact O-N 2.88Å; R368-D380 PolarHBondContact NE-O 3.46Å; R368-W383 HydrophobicContact CB-CD2 3.93Å; R368-W383 HydrophobicContact CB-CE3 3.99Å; R368-W383 HydrophobicContact CB-CH2 4.12Å; R368-W383 HydrophobicContact CB-CZ2 4.02Å; R368-W383 HydrophobicContact CB-CZ3 4.09Å; R368-W383 HydrophobicContact CG-CD2 4.39Å; R368-W383 HydrophobicContact CG-CZ2 4.34Å |
| 369 | L | 85 | Confident | 75.9 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -82 | 148.9 | -179.7 | -59.7 | -176.9 | 0 | 0 | 0 | 110.9 | C58 F324 T367 F371 V382 | C58-L369 HydrophobicContact CB-CD1 4.43Å; F324-L369 HydrophobicContact CD1-CD1 4.03Å; F324-L369 HydrophobicContact CE1-CD1 3.91Å; T367-L369 HydrophobicContact CG2-CD2 4.43Å; L369-F371 PolarHBondContact O-N 2.74Å; L369-V382 HydrophobicContact CD1-CG1 3.99Å; L369-V382 PolarHBondContact N-O 3.39Å |
| 370 | P | 71 | Confident | 75.7 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 131 | 168.2 | 28 | -32.9 | 0 | 0 | 0 | 109.2 | ||
| 371 | F | 69.7 | Low | 76.1 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 20% | 0.202 | 29% | 0.286 | C | S | . | . | trans | -112.5 | 131.6 | 179.2 | -163.5 | -93.9 | 0 | 0 | 0 | 108.3 | C54 E56 L369 S373 L378 V382 | C54-F371 HydrophobicContact CB-CE2 4.43Å; C54-F371 WeakPolarHBondContact O-CZ 3.23Å; E56-F371 HydrophobicContact CB-CE2 4.24Å; E56-F371 HydrophobicContact CG-CD2 3.44Å; E56-F371 VanDerWaalsContact CG-CD2 3.44Å; E56-F371 HydrophobicContact CG-CE1 4.46Å; E56-F371 HydrophobicContact CG-CE2 3.11Å; E56-F371 HydrophobicContact CG-CG 4.24Å; E56-F371 HydrophobicContact CG-CZ 3.68Å; L369-F371 PolarHBondContact O-N 2.74Å; F371-S373 WeakPolarHBondContact CD1-O 3.27Å; F371-S373 WeakPolarHBondContact CE1-O 3.37Å; F371-L378 HydrophobicContact CD2-CD1 3.97Å; F371-L378 HydrophobicContact CE1-CD1 3.93Å; F371-L378 HydrophobicContact CE2-CD1 3.24Å; F371-L378 HydrophobicContact CZ-CD1 3.26Å; F371-V382 HydrophobicContact CD2-CG2 3.81Å; F371-V382 HydrophobicContact CE2-CG2 3.92Å | ||
| 372 | K | 61.9 | Low | 76.6 | Confident | 115 Ų | 115 | 51.8 Ų | 51.8 | 50% | 0.5 | 27% | 0.269 | S | S | . | . | trans | -85.7 | -34.6 | -172.9 | -68.9 | -174.9 | -178.6 | -178.3 | 0 | 112.1 | E56 E230 E374 | E56-K372 WeakPolarHBondContact OE1-CB 3.42Å; E56-K372 PolarHBondContact OE1-N 2.85Å; E230-K372 IonicContact OE1-NZ 3.06Å; E230-K372 PolarHBondContact OE1-NZ 2.88Å; K372-E374 PolarHBondContact O-N 3.39Å | ||
| 373 | S | 55.3 | Low | 76.9 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | trans | -78.9 | 117.8 | -176.7 | 163.1 | 0 | 0 | 0 | 0 | 111.4 | E56 F371 D375 | E56-S373 PolarHBondContact OE1-N 3.28Å; F371-S373 WeakPolarHBondContact CD1-O 3.27Å; F371-S373 WeakPolarHBondContact CE1-O 3.37Å; S373-D375 PolarHBondContact O-N 3.32Å; S373-D375 WeakPolarHBondContact OG-CB 3.11Å; S373-D375 PolarHBondContact OG-N 3.27Å; S373-D375 VanDerWaalsContact OG-N 3.08Å | ||
| 374 | E | 53.5 | Low | 76.9 | Confident | 205 Ų | 205 | 51.8 Ų | 51.8 | 96% | 0.958 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.2 | 168.1 | -65.8 | -171.9 | 160 | 0 | 0 | 112.1 | K372 S376 | K372-E374 PolarHBondContact O-N 3.39Å; E374-S376 PolarHBondContact O-N 3.33Å |
| 375 | D | 47.2 | Very low | 77 | Confident | 151 Ų | 151 | 51.4 Ų | 51.4 | 81% | 0.807 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 24.6 | -163.7 | -127.5 | -3.4 | 0 | 0 | 0 | 113.5 | S373 | S373-D375 PolarHBondContact O-N 3.32Å; S373-D375 WeakPolarHBondContact OG-CB 3.11Å; S373-D375 PolarHBondContact OG-N 3.27Å; S373-D375 VanDerWaalsContact OG-N 3.08Å |
| 376 | S | 54.6 | Low | 77 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | trans | -100.8 | 122.4 | -166.7 | 91.2 | 0 | 0 | 0 | 0 | 112.4 | E374 L378 | E374-S376 PolarHBondContact O-N 3.33Å; S376-L378 PolarHBondContact O-N 3.06Å; S376-L378 WeakPolarHBondContact OG-CB 3.17Å | ||
| 377 | D | 58.7 | Low | 76.9 | Confident | 165 Ų | 165 | 52.7 Ų | 52.7 | 88% | 0.882 | 27% | 0.273 | S | S | * | . | trans | -57.3 | 3.5 | 161.9 | -70 | -38.6 | 0 | 0 | 0 | 113.5 | K379 | D377-K379 PolarHBondContact O-N 3.25Š| ||
| 378 | L | 69 | Low | 76.8 | Confident | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | trans | -75.7 | 90.8 | 179.4 | -48.6 | 171.3 | 0 | 0 | 0 | 109.9 | C54 S326 F371 S376 D380 G381 V382 | C54-L378 HydrophobicContact CB-CD1 3.79Å; C54-L378 HydrophobicContact CB-CD2 3.97Å; S326-L378 WeakPolarHBondContact OG-CD2 3.4Å; F371-L378 HydrophobicContact CD2-CD1 3.97Å; F371-L378 HydrophobicContact CE1-CD1 3.93Å; F371-L378 HydrophobicContact CE2-CD1 3.24Å; F371-L378 HydrophobicContact CZ-CD1 3.26Å; S376-L378 PolarHBondContact O-N 3.06Å; S376-L378 WeakPolarHBondContact OG-CB 3.17Å; L378-D380 PolarHBondContact O-N 3.43Å; L378-G381 PolarHBondContact O-N 2.88Å; L378-G381 VanDerWaalsContact O-N 3.14Å; L378-V382 HydrophobicContact CD1-CG2 4.27Å | ||
| 379 | K | 70.2 | Confident | 76.8 | Confident | 115 Ų | 115 | 52 Ų | 52 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41 | -41.8 | -176.5 | -64.1 | 174.4 | -176.1 | 166.5 | 0 | 114.7 | Q328 D377 D409 | Q328-K379 HydrophobicContact CB-CD 4.29Å; D377-K379 PolarHBondContact O-N 3.25Å; K379-D409 IonicContact NZ-OD2 3.43Å; K379-D409 PolarHBondContact NZ-OD2 2.69Å |
| 380 | D | 82.8 | Confident | 77.1 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 12.8 | -179 | -77.8 | -56 | 0 | 0 | 0 | 114.5 | Q328 I329 Y331 R340 R368 L378 W383 | Q328-D380 WeakPolarHBondContact CA-OD2 3.47Å; I329-D380 HydrophobicContact CB-CB 4.46Å; I329-D380 HydrophobicContact CG1-CB 3.73Å; I329-D380 PolarHBondContact N-OD2 3.08Å; Y331-D380 WeakPolarHBondContact CE2-OD1 3.45Å; Y331-D380 VanDerWaalsContact OH-CG 3.28Å; Y331-D380 PolarHBondContact OH-OD1 3.21Å; R340-D380 WeakPolarHBondContact CA-OD1 3.24Å; R368-D380 PolarHBondContact NE-O 3.46Å; L378-D380 PolarHBondContact O-N 3.43Å; D380-W383 PolarHBondContact O-NE1 2.96Å; D380-W383 VanDerWaalsContact O-NE1 3.13Å |
| 381 | G | 87 | Confident | 78.1 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | trans | 71.1 | -164.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L378 | L378-G381 PolarHBondContact O-N 2.88Å; L378-G381 VanDerWaalsContact O-N 3.14Å | ||
| 382 | V | 90.2 | Very high | 79.2 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.8 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | F53 C54 F324 L325 L369 F371 L378 | F53-V382 HydrophobicContact CD1-CB 4.48Å; F53-V382 HydrophobicContact CD1-CG1 3.66Å; F53-V382 HydrophobicContact CD1-CG2 3.95Å; F53-V382 HydrophobicContact CE1-CG1 3.77Å; F53-V382 HydrophobicContact CE1-CG2 4.08Å; C54-V382 HydrophobicContact CB-CG2 4.09Å; F324-V382 HydrophobicContact CD1-CG1 4.41Å; L325-V382 WeakPolarHBondContact O-CA 3.37Å; L369-V382 HydrophobicContact CD1-CG1 3.99Å; L369-V382 PolarHBondContact N-O 3.39Å; F371-V382 HydrophobicContact CD2-CG2 3.81Å; F371-V382 HydrophobicContact CE2-CG2 3.92Å; L378-V382 HydrophobicContact CD1-CG2 4.27Å |
| 383 | W | 93.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 144 | 176.3 | -70 | 75.4 | 0 | 0 | 0 | 110.7 | F324 L325 I329 Y331 L341 F349 I366 T367 R368 D380 | F324-W383 CarbonylContact C-O 3.53Å; F324-W383 VanDerWaalsContact CA-O 3.3Å; F324-W383 WeakPolarHBondContact CA-O 3.42Å; L325-W383 HydrophobicContact CD2-CB 3.47Å; L325-W383 VanDerWaalsContact CD2-CB 3.47Å; L325-W383 HydrophobicContact CD2-CG 4.36Å; L325-W383 HydrophobicContact CG-CB 3.94Å; L325-W383 PolarHBondContact N-O 3.12Å; L325-W383 PolarHBondContact O-N 3.01Å; I329-W383 HydrophobicContact CD1-CD2 4.16Å; I329-W383 HydrophobicContact CD1-CG 3.94Å; I329-W383 HydrophobicContact CG1-CD2 4.42Å; I329-W383 HydrophobicContact CG1-CG 4.5Å; I329-W383 HydrophobicContact CG1-CZ2 4.08Å; Y331-W383 HydrophobicContact CE1-CZ2 4.18Å; L341-W383 HydrophobicContact CD1-CH2 3.95Å; L341-W383 HydrophobicContact CD1-CZ2 3.81Å; F349-W383 HydrophobicContact CD2-CZ3 4.39Å; F349-W383 HydrophobicContact CE1-CH2 4.4Å; F349-W383 HydrophobicContact CE2-CH2 4.03Å; F349-W383 HydrophobicContact CE2-CZ3 4.05Å; F349-W383 AromaticContact CZ-CH2 3.81Å; F349-W383 HydrophobicContact CZ-CH2 3.81Å; F349-W383 HydrophobicContact CZ-CZ3 4.13Å; I366-W383 HydrophobicContact CG2-CE3 3.52Å; I366-W383 HydrophobicContact CG2-CZ3 3.78Å; T367-W383 CarbonylContact O-C 3.53Å; T367-W383 WeakPolarHBondContact O-CA 3.35Å; R368-W383 HydrophobicContact CB-CD2 3.93Å; R368-W383 HydrophobicContact CB-CE3 3.99Å; R368-W383 HydrophobicContact CB-CH2 4.12Å; R368-W383 HydrophobicContact CB-CZ2 4.02Å; R368-W383 HydrophobicContact CB-CZ3 4.09Å; R368-W383 HydrophobicContact CG-CD2 4.39Å; R368-W383 HydrophobicContact CG-CZ2 4.34Å; D380-W383 PolarHBondContact O-NE1 2.96Å; D380-W383 VanDerWaalsContact O-NE1 3.13Å |
| 384 | S | 94.4 | Very high | 82.6 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.2 | -179.4 | -163.1 | 0 | 0 | 0 | 0 | 110.2 | R322 T323 F324 T367 | R322-S384 PolarHBondContact NE-OG 3.38Å; R322-S384 PolarHBondContact NH2-OG 2.69Å; T323-S384 CarbonylContact O-C 3.29Å; T323-S384 VanDerWaalsContact O-CA 3.29Å; T323-S384 WeakPolarHBondContact O-CA 3.49Å; F324-S384 WeakPolarHBondContact CE1-OG 3.27Å; T367-S384 PolarHBondContact N-O 3.29Å; T367-S384 PolarHBondContact O-N 3.1Å |
| 385 | I | 95.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129 | -173 | -55.3 | 154.1 | 0 | 0 | 0 | 109.1 | R322 T323 L325 V363 S365 I366 L399 I403 | R322-I385 WeakPolarHBondContact CA-O 3.18Å; T323-I385 PolarHBondContact N-O 3.28Å; T323-I385 PolarHBondContact O-N 3.38Å; L325-I385 HydrophobicContact CD2-CD1 3.37Å; L325-I385 HydrophobicContact CD2-CG1 4.26Å; V363-I385 HydrophobicContact CB-CG2 4.21Å; V363-I385 HydrophobicContact CG1-CG2 4.12Å; S365-I385 WeakPolarHBondContact O-CA 3.31Å; I366-I385 HydrophobicContact CB-CG1 4.46Å; I366-I385 HydrophobicContact CG1-CG1 4.21Å; I366-I385 HydrophobicContact CG1-CG2 4.17Å; I366-I385 HydrophobicContact CG2-CG1 4.14Å; I385-L399 HydrophobicContact CB-CD1 4.2Å; I385-L399 HydrophobicContact CD1-CB 4.29Å; I385-L399 HydrophobicContact CD1-CD1 4.1Å; I385-L399 HydrophobicContact CG2-CD1 3.94Å; I385-L399 HydrophobicContact CG2-CD2 4.22Å; I385-I403 HydrophobicContact CD1-CD1 3.22Å; I385-I403 HydrophobicContact CG1-CD1 4.03Å |
| 386 | F | 95.1 | Very high | 86.8 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.4 | 169.6 | -75.8 | -61.9 | 0 | 0 | 0 | 110 | C321 R322 R364 S365 W419 | C321-F386 WeakPolarHBondContact O-CA 3.37Å; R322-F386 HydrophobicContact CB-CD1 4.05Å; R322-F386 HydrophobicContact CB-CE1 3.78Å; R322-F386 VanDerWaalsContact CD-CE1 3.49Å; R322-F386 HydrophobicContact CG-CD1 4.05Å; R322-F386 HydrophobicContact CG-CE1 3.66Å; R322-F386 HydrophobicContact CG-CZ 4.13Å; R364-F386 HydrophobicContact CB-CB 3.84Å; R364-F386 PolarHBondContact N-O 3.35Å; S365-F386 PolarHBondContact O-N 2.89Å; S365-F386 VanDerWaalsContact O-N 3.08Å; S365-F386 WeakPolarHBondContact OG-CD2 3.32Å; F386-W419 HydrophobicContact CE1-CZ2 4.48Å |
| 387 | S | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 152.1 | 178.8 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | M320 C321 | M320-S387 VanDerWaalsContact CE-O 3.32Å; M320-S387 WeakPolarHBondContact CE-O 3.38Å; C321-S387 WeakPolarHBondContact CB-O 3.46Å; C321-S387 PolarHBondContact N-O 3.49Å; C321-S387 PolarHBondContact O-N 3.24Å |
| 388 | E | 92.6 | Very high | 90.4 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | trans | -94.5 | 128.7 | 177.7 | -69.9 | 175 | -101.3 | 0 | 0 | 110.5 | M320 R364 K390 Y391 I392 | M320-E388 HydrophobicContact CE-CG 3.57Å; M320-E388 HydrophobicContact SD-CG 3.62Å; R364-E388 IonicContact CZ-OE1 2.77Å; R364-E388 IonicContact NE-OE1 3.61Å; R364-E388 PolarHBondContact NE-OE1 2.68Å; R364-E388 IonicContact NH2-OE1 3.86Å; R364-E388 PolarHBondContact NH2-OE1 3.28Å; E388-K390 HydrophobicContact CB-CG 4.11Å; E388-K390 PolarHBondContact O-N 2.97Å; E388-K390 VanDerWaalsContact O-N 3.09Å; E388-K390 WeakPolarHBondContact OE2-CE 3.24Å; E388-K390 IonicContact OE2-NZ 3.53Å; E388-K390 PolarHBondContact OE2-NZ 3.21Å; E388-Y391 HydrophobicContact CB-CD2 3.9Å; E388-Y391 HydrophobicContact CB-CE2 4.42Å; E388-Y391 PolarHBondContact O-N 3.22Å; E388-I392 PolarHBondContact O-N 3.27Å | ||
| 389 | P | 91.7 | Very high | 91.6 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.7 | -179.9 | -22.5 | 27.3 | 0 | 0 | 0 | 114.4 | E319 Y391 I392 P393 | E319-P389 HydrophobicContact CB-CG 4.3Å; E319-P389 HydrophobicContact CG-CG 3.97Å; E319-P389 VanDerWaalsContact O-CD 3.3Å; E319-P389 WeakPolarHBondContact O-CD 3.28Å; P389-Y391 VanDerWaalsContact C-N 3.29Å; P389-Y391 PolarHBondContact O-N 3.41Å; P389-I392 CarbonylContact O-C 3.43Å; P389-I392 VanDerWaalsContact O-C 3.29Å; P389-P393 WeakPolarHBondContact O-CA 3.48Å; P389-P393 WeakPolarHBondContact O-CG 3.39Å; P389-P393 VanDerWaalsContact O-N 3.1Å |
| 390 | K | 90.6 | Very high | 92.8 | Very high | 127 Ų | 127 | 32.3 Ų | 32.3 | 55% | 0.552 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.7 | 177.7 | 61.8 | 169.1 | 164.3 | 163 | 0 | 113.6 | E388 | E388-K390 HydrophobicContact CB-CG 4.11Å; E388-K390 PolarHBondContact O-N 2.97Å; E388-K390 VanDerWaalsContact O-N 3.09Å; E388-K390 WeakPolarHBondContact OE2-CE 3.24Å; E388-K390 IonicContact OE2-NZ 3.53Å; E388-K390 PolarHBondContact OE2-NZ 3.21Å |
| 391 | Y | 91.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 33% | 0.329 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -31.1 | 179.1 | -60.6 | -56.7 | 0 | 0 | 0 | 111.6 | H361 P362 E388 P389 | H361-Y391 PolarHBondContact ND1-O 2.82Å; P362-Y391 HydrophobicContact CG-CD1 4.34Å; P362-Y391 HydrophobicContact CG-CD2 3.77Å; P362-Y391 HydrophobicContact CG-CE2 4.11Å; P362-Y391 HydrophobicContact CG-CG 3.92Å; E388-Y391 HydrophobicContact CB-CD2 3.9Å; E388-Y391 HydrophobicContact CB-CE2 4.42Å; E388-Y391 PolarHBondContact O-N 3.22Å; P389-Y391 VanDerWaalsContact C-N 3.29Å; P389-Y391 PolarHBondContact O-N 3.41Å |
| 392 | I | 93.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | trans | -131.4 | 81.3 | 179.8 | -48.7 | -174.7 | 0 | 0 | 0 | 109.2 | H361 V363 E388 P389 D394 P395 A398 L399 | H361-I392 HydrophobicContact CB-CD1 4.34Å; H361-I392 HydrophobicContact CB-CG1 4.19Å; V363-I392 HydrophobicContact CG1-CD1 4Å; E388-I392 PolarHBondContact O-N 3.27Å; P389-I392 CarbonylContact O-C 3.43Å; P389-I392 VanDerWaalsContact O-C 3.29Å; I392-D394 VanDerWaalsContact C-N 3.3Å; I392-D394 PolarHBondContact O-N 2.71Å; I392-P395 HydrophobicContact CG2-CB 4.04Å; I392-P395 WeakPolarHBondContact O-CD 3.4Å; I392-A398 HydrophobicContact CG2-CB 3.55Å; I392-L399 HydrophobicContact CD1-CD2 3.95Å | ||
| 393 | P | 93.3 | Very high | 93.8 | Very high | 88 Ų | 88 | 41 Ų | 41 | 57% | 0.571 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -65.1 | -31.7 | -176.4 | -23.7 | 34.3 | 0 | 0 | 0 | 114 | P389 P395 R418 | P389-P393 WeakPolarHBondContact O-CA 3.48Å; P389-P393 WeakPolarHBondContact O-CG 3.39Å; P389-P393 VanDerWaalsContact O-N 3.1Å; P393-P395 WeakPolarHBondContact O-CD 3.44Å; P393-R418 PolarHBondContact O-NH2 2.8Å |
| 394 | D | 94.6 | Very high | 93.9 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 43% | 0.428 | 21% | 0.21 | S | C | . | . | trans | -117.7 | 81 | 172.4 | -179 | 9.3 | 0 | 0 | 0 | 110.1 | I392 K396 T397 A398 | I392-D394 VanDerWaalsContact C-N 3.3Å; I392-D394 PolarHBondContact O-N 2.71Å; D394-K396 PolarHBondContact O-N 3.22Å; D394-K396 PolarHBondContact OD1-N 3.13Å; D394-T397 PolarHBondContact OD1-N 2.84Å; D394-T397 WeakPolarHBondContact OD2-CB 3.5Å; D394-T397 PolarHBondContact OD2-OG1 2.69Å; D394-A398 VanDerWaalsContact O-CB 3.26Å; D394-A398 WeakPolarHBondContact O-CB 3.42Å; D394-A398 PolarHBondContact O-N 2.84Å | ||
| 395 | P | 94.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.9 | -24.6 | -177.9 | 29.1 | -36.5 | 0 | 0 | 0 | 112.6 | C321 I392 P393 L399 V416 | C321-P395 HydrophobicContact CB-CG 4.21Å; I392-P395 HydrophobicContact CG2-CB 4.04Å; I392-P395 WeakPolarHBondContact O-CD 3.4Å; P393-P395 WeakPolarHBondContact O-CD 3.44Å; P395-L399 HydrophobicContact CB-CD1 3.88Å; P395-L399 HydrophobicContact CB-CG 4.4Å; P395-L399 WeakPolarHBondContact O-CB 3.5Å; P395-L399 VanDerWaalsContact O-CG 3.27Å; P395-L399 WeakPolarHBondContact O-CG 3.36Å; P395-L399 PolarHBondContact O-N 3.33Å; P395-V416 HydrophobicContact CG-CB 4.42Å; P395-V416 HydrophobicContact CG-CG1 3.53Å; P395-V416 HydrophobicContact CG-CG2 4.02Å |
| 396 | K | 94.7 | Very high | 93.9 | Very high | 112 Ų | 112 | 51 Ų | 51 | 49% | 0.487 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.8 | -55.3 | 178.1 | 177.6 | 166.1 | 172.9 | 163.5 | 0 | 110.2 | D394 S400 I414 V416 | D394-K396 PolarHBondContact O-N 3.22Å; D394-K396 PolarHBondContact OD1-N 3.13Å; K396-S400 WeakPolarHBondContact O-CB 3.18Å; K396-S400 PolarHBondContact O-N 3.47Å; K396-I414 HydrophobicContact CB-CD1 4.44Å; K396-I414 HydrophobicContact CD-CG2 3.94Å; K396-I414 HydrophobicContact CG-CD1 4.17Å; K396-I414 HydrophobicContact CG-CG1 4.19Å; K396-I414 HydrophobicContact CG-CG2 3.66Å; K396-I414 VanDerWaalsContact O-CD1 3.3Å; K396-I414 WeakPolarHBondContact O-CD1 3.49Å; K396-V416 HydrophobicContact CB-CG2 4.02Å |
| 397 | T | 94.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.8 | -45.7 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | D394 K401 | D394-T397 PolarHBondContact OD1-N 2.84Å; D394-T397 WeakPolarHBondContact OD2-CB 3.5Å; D394-T397 PolarHBondContact OD2-OG1 2.69Å; T397-K401 HydrophobicContact CG2-CD 4.18Å; T397-K401 WeakPolarHBondContact O-CG 3.37Å; T397-K401 PolarHBondContact O-N 2.96Å |
| 398 | A | 94.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I392 D394 L402 | I392-A398 HydrophobicContact CG2-CB 3.55Å; D394-A398 VanDerWaalsContact O-CB 3.26Å; D394-A398 WeakPolarHBondContact O-CB 3.42Å; D394-A398 PolarHBondContact O-N 2.84Å; A398-L402 VanDerWaalsContact O-CB 3.32Å; A398-L402 WeakPolarHBondContact O-CB 3.35Å; A398-L402 PolarHBondContact O-N 2.83Å; A398-L402 VanDerWaalsContact O-N 3.13Å |
| 399 | L | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.9 | -32.7 | -178.2 | -61 | 172.3 | 0 | 0 | 0 | 112.1 | T323 V363 I385 I392 P395 L402 I403 | T323-L399 HydrophobicContact CG2-CD1 3.96Å; T323-L399 WeakPolarHBondContact OG1-CD1 3.25Å; V363-L399 HydrophobicContact CG1-CD2 3.82Å; I385-L399 HydrophobicContact CB-CD1 4.2Å; I385-L399 HydrophobicContact CD1-CB 4.29Å; I385-L399 HydrophobicContact CD1-CD1 4.1Å; I385-L399 HydrophobicContact CG2-CD1 3.94Å; I385-L399 HydrophobicContact CG2-CD2 4.22Å; I392-L399 HydrophobicContact CD1-CD2 3.95Å; P395-L399 HydrophobicContact CB-CD1 3.88Å; P395-L399 HydrophobicContact CB-CG 4.4Å; P395-L399 WeakPolarHBondContact O-CB 3.5Å; P395-L399 VanDerWaalsContact O-CG 3.27Å; P395-L399 WeakPolarHBondContact O-CG 3.36Å; P395-L399 PolarHBondContact O-N 3.33Å; L399-L402 HydrophobicContact CD2-CD2 4.48Å; L399-L402 PolarHBondContact O-N 3.34Å; L399-I403 HydrophobicContact CD2-CD1 4.34Å; L399-I403 WeakPolarHBondContact O-CB 3.43Å; L399-I403 PolarHBondContact O-N 2.86Å |
| 400 | S | 94.5 | Very high | 93.8 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.9 | -55.1 | 171.2 | 176 | 0 | 0 | 0 | 0 | 110.4 | K396 L402 I403 L404 P407 | K396-S400 WeakPolarHBondContact O-CB 3.18Å; K396-S400 PolarHBondContact O-N 3.47Å; S400-L402 PolarHBondContact O-N 2.99Å; S400-I403 PolarHBondContact O-N 3.47Å; S400-L404 VanDerWaalsContact O-CB 3.28Å; S400-L404 WeakPolarHBondContact O-CB 3.29Å; S400-L404 PolarHBondContact O-N 3.15Å; S400-P407 WeakPolarHBondContact OG-CB 3.44Å; S400-P407 PolarHBondContact OG-O 2.98Å |
| 401 | K | 94.7 | Very high | 93.7 | Very high | 139 Ų | 139 | 68.5 Ų | 68.5 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.9 | -31.3 | -179.9 | -72.3 | 179.4 | 179.3 | -179.7 | 0 | 114.1 | T397 P407 | T397-K401 HydrophobicContact CG2-CD 4.18Å; T397-K401 WeakPolarHBondContact O-CG 3.37Å; T397-K401 PolarHBondContact O-N 2.96Å; K401-P407 HydrophobicContact CG-CB 4.3Å |
| 402 | L | 93.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -79.7 | -49.7 | -178 | 178.7 | 64.3 | 0 | 0 | 0 | 112.2 | Y100 L333 A398 L399 S400 | Y100-L402 HydrophobicContact CE2-CD1 3.92Å; Y100-L402 HydrophobicContact CE2-CD2 3.93Å; Y100-L402 HydrophobicContact CE2-CG 4.38Å; Y100-L402 VanDerWaalsContact OH-CD2 3.26Å; Y100-L402 WeakPolarHBondContact OH-CD2 3.41Å; L333-L402 HydrophobicContact CD1-CD1 4.28Å; L333-L402 HydrophobicContact CD2-CD1 4.04Å; L333-L402 HydrophobicContact CD2-CG 4.08Å; L333-L402 WeakPolarHBondContact CD2-O 3.46Å; A398-L402 VanDerWaalsContact O-CB 3.32Å; A398-L402 WeakPolarHBondContact O-CB 3.35Å; A398-L402 PolarHBondContact O-N 2.83Å; A398-L402 VanDerWaalsContact O-N 3.13Å; L399-L402 HydrophobicContact CD2-CD2 4.48Å; L399-L402 PolarHBondContact O-N 3.34Å; S400-L402 PolarHBondContact O-N 2.99Å |
| 403 | I | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -97.5 | -29.5 | -165 | -67.3 | 169.8 | 0 | 0 | 0 | 112.1 | L325 I329 N330 I366 I385 L399 S400 | L325-I403 HydrophobicContact CD1-CG2 4.39Å; L325-I403 HydrophobicContact CD2-CG2 4Å; I329-I403 HydrophobicContact CD1-CG2 3.71Å; I329-I403 HydrophobicContact CG2-CG2 4.31Å; N330-I403 PolarHBondContact N-O 3.04Å; I366-I403 HydrophobicContact CD1-CD1 4.19Å; I366-I403 HydrophobicContact CG1-CD1 4.36Å; I385-I403 HydrophobicContact CD1-CD1 3.22Å; I385-I403 HydrophobicContact CG1-CD1 4.03Å; L399-I403 HydrophobicContact CD2-CD1 4.34Å; L399-I403 WeakPolarHBondContact O-CB 3.43Å; L399-I403 PolarHBondContact O-N 2.86Å; S400-I403 PolarHBondContact O-N 3.47Å |
| 404 | L | 94.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 139.2 | 179.6 | -67.8 | 172 | 0 | 0 | 0 | 111.3 | L325 Q328 I329 S400 Y406 N412 | L325-L404 HydrophobicContact CD1-CD1 3.78Å; L325-L404 HydrophobicContact CD1-CD2 3.27Å; L325-L404 HydrophobicContact CD1-CG 3.42Å; L325-L404 VanDerWaalsContact CD1-CG 3.42Å; Q328-L404 WeakPolarHBondContact O-CA 3.2Å; Q328-L404 WeakPolarHBondContact O-CD2 3.16Å; I329-L404 HydrophobicContact CD1-CD2 4.33Å; S400-L404 VanDerWaalsContact O-CB 3.28Å; S400-L404 WeakPolarHBondContact O-CB 3.29Å; S400-L404 PolarHBondContact O-N 3.15Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-N412 HydrophobicContact CD1-CB 4.1Å |
| 405 | K | 94.3 | Very high | 93.9 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.8 | -34.5 | 174 | -172.1 | 179.2 | -179.4 | -168.2 | 0 | 112 | Q328 N330 | Q328-K405 HydrophobicContact CG-CB 4.27Å; Q328-K405 HydrophobicContact CG-CD 4.35Å; Q328-K405 PolarHBondContact O-N 2.86Å; N330-K405 HydrophobicContact CB-CB 4.29Å |
| 406 | Y | 94.7 | Very high | 94 | Very high | 113 Ų | 113 | 68 Ų | 68 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -129.4 | 77.6 | -179.9 | -55.1 | -64.8 | 0 | 0 | 0 | 108.7 | Q328 L404 D408 D409 N412 | Q328-Y406 HydrophobicContact CB-CD2 4.45Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; Y406-D408 PolarHBondContact O-N 2.97Å; Y406-D409 WeakPolarHBondContact O-CB 3.17Å; Y406-D409 PolarHBondContact O-N 3.03Å; Y406-D409 VanDerWaalsContact O-N 3.16Å; Y406-N412 PolarHBondContact O-ND2 3.34Å |
| 407 | P | 94.8 | Very high | 93.9 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.6 | -172.2 | 24.7 | -34.8 | 0 | 0 | 0 | 114 | S400 K401 N412 | S400-P407 WeakPolarHBondContact OG-CB 3.44Å; S400-P407 PolarHBondContact OG-O 2.98Å; K401-P407 HydrophobicContact CG-CB 4.3Å; P407-N412 PolarHBondContact O-ND2 2.65Å |
| 408 | D | 94.1 | Very high | 93.9 | Very high | 143 Ų | 143 | 66.5 Ų | 66.5 | 77% | 0.765 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 9.9 | -179.9 | -51.3 | -49.9 | 0 | 0 | 0 | 113.3 | Y406 D410 | Y406-D408 PolarHBondContact O-N 2.97Å; D408-D410 PolarHBondContact O-N 3.45Å |
| 409 | D | 92.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | trans | -69.6 | 120.8 | 173.1 | -175.5 | -20.9 | 0 | 0 | 0 | 109.9 | K379 Y406 H411 N412 | K379-D409 IonicContact NZ-OD2 3.43Å; K379-D409 PolarHBondContact NZ-OD2 2.69Å; Y406-D409 WeakPolarHBondContact O-CB 3.17Å; Y406-D409 PolarHBondContact O-N 3.03Å; Y406-D409 VanDerWaalsContact O-N 3.16Å; D409-H411 PolarHBondContact O-N 2.88Å; D409-H411 VanDerWaalsContact O-N 3.11Å; D409-H411 WeakPolarHBondContact OD1-CB 3.5Å; D409-H411 IonicContact OD1-CD2 3.27Å; D409-H411 PolarHBondContact OD1-CD2 3.1Å; D409-H411 VanDerWaalsContact OD1-CD2 3.24Å; D409-H411 IonicContact OD1-CG 2.69Å; D409-H411 PolarHBondContact OD1-N 2.95Å; D409-N412 VanDerWaalsContact O-CB 3.24Å; D409-N412 WeakPolarHBondContact O-CB 3.45Å; D409-N412 VanDerWaalsContact O-CG 3.23Å; D409-N412 PolarHBondContact O-N 3.05Å; D409-N412 PolarHBondContact O-ND2 3.31Å; D409-N412 VanDerWaalsContact O-ND2 3.13Å | ||
| 410 | D | 90.7 | Very high | 93.2 | Very high | 167 Ų | 167 | 67.7 Ų | 67.7 | 89% | 0.893 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -17.8 | -178.9 | -71.5 | -28.8 | 0 | 0 | 0 | 113.3 | D408 N412 | D408-D410 PolarHBondContact O-N 3.45Å; D410-N412 VanDerWaalsContact C-N 3.3Å |
| 411 | H | 89.5 | Confident | 92.8 | Very high | 153 Ų | 153 | 67 Ų | 67 | 71% | 0.708 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.4 | 174.5 | -62.7 | -66.6 | 0 | 0 | 0 | 113.5 | D409 Q413 | D409-H411 PolarHBondContact O-N 2.88Å; D409-H411 VanDerWaalsContact O-N 3.11Å; D409-H411 WeakPolarHBondContact OD1-CB 3.5Å; D409-H411 IonicContact OD1-CD2 3.27Å; D409-H411 PolarHBondContact OD1-CD2 3.1Å; D409-H411 VanDerWaalsContact OD1-CD2 3.24Å; D409-H411 IonicContact OD1-CG 2.69Å; D409-H411 PolarHBondContact OD1-N 2.95Å; H411-Q413 PolarHBondContact O-N 2.68Å |
| 412 | N | 92.7 | Very high | 92.4 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | trans | -66 | 134.7 | 176.6 | -66.4 | -33.4 | 0 | 0 | 0 | 110.5 | S326 G327 L404 Y406 P407 D409 D410 | S326-N412 WeakPolarHBondContact O-CA 3.18Å; G327-N412 WeakPolarHBondContact CA-OD1 3.31Å; L404-N412 HydrophobicContact CD1-CB 4.1Å; Y406-N412 PolarHBondContact O-ND2 3.34Å; P407-N412 PolarHBondContact O-ND2 2.65Å; D409-N412 VanDerWaalsContact O-CB 3.24Å; D409-N412 WeakPolarHBondContact O-CB 3.45Å; D409-N412 VanDerWaalsContact O-CG 3.23Å; D409-N412 PolarHBondContact O-N 3.05Å; D409-N412 PolarHBondContact O-ND2 3.31Å; D409-N412 VanDerWaalsContact O-ND2 3.13Å; D410-N412 VanDerWaalsContact C-N 3.3Å | ||
| 413 | Q | 93.6 | Very high | 92.4 | Very high | 87 Ų | 87 | 59.5 Ų | 59.5 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.6 | 172.7 | -68 | 177.8 | 54.5 | 0 | 0 | 109 | F53 C54 L325 S326 H411 | F53-Q413 HydrophobicContact CE2-CB 4.1Å; F53-Q413 HydrophobicContact CZ-CB 3.86Å; F53-Q413 WeakPolarHBondContact CZ-O 3.28Å; C54-Q413 PolarHBondContact SG-OE1 2.79Å; L325-Q413 CarbonylContact C-O 3.55Å; L325-Q413 WeakPolarHBondContact CA-O 3.38Å; S326-Q413 PolarHBondContact N-O 2.81Å; S326-Q413 PolarHBondContact O-N 3.11Å; H411-Q413 PolarHBondContact O-N 2.68Å |
| 414 | I | 94.7 | Very high | 92.4 | Very high | 34 Ų | 34 | 61.4 Ų | 61.4 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 128 | 178.1 | -176 | 158.9 | 0 | 0 | 0 | 110.6 | T323 F324 K396 | T323-I414 HydrophobicContact CG2-CD1 3.74Å; T323-I414 HydrophobicContact CG2-CG1 3.77Å; F324-I414 VanDerWaalsContact O-CA 3.26Å; F324-I414 WeakPolarHBondContact O-CA 3.5Å; K396-I414 HydrophobicContact CB-CD1 4.44Å; K396-I414 HydrophobicContact CD-CG2 3.94Å; K396-I414 HydrophobicContact CG-CD1 4.17Å; K396-I414 HydrophobicContact CG-CG1 4.19Å; K396-I414 HydrophobicContact CG-CG2 3.66Å; K396-I414 VanDerWaalsContact O-CD1 3.3Å; K396-I414 WeakPolarHBondContact O-CD1 3.49Å |
| 415 | D | 95.3 | Very high | 92.4 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.342 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.7 | 174.9 | -171 | 26.9 | 0 | 0 | 0 | 110 | F53 T323 F324 | F53-D415 HydrophobicContact CD2-CB 3.8Å; F53-D415 HydrophobicContact CE2-CB 3.87Å; T323-D415 CarbonylContact C-O 3.57Å; T323-D415 WeakPolarHBondContact CA-O 3.34Å; F324-D415 PolarHBondContact N-O 3.42Å; F324-D415 PolarHBondContact O-N 3.4Å |
| 416 | V | 95.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.218 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 117.6 | -174.8 | -179.6 | 0 | 0 | 0 | 0 | 109 | C321 T323 P395 K396 R418 | C321-V416 HydrophobicContact CB-CG1 4.23Å; T323-V416 HydrophobicContact CG2-CG2 4.06Å; P395-V416 HydrophobicContact CG-CB 4.42Å; P395-V416 HydrophobicContact CG-CG1 3.53Å; P395-V416 HydrophobicContact CG-CG2 4.02Å; K396-V416 HydrophobicContact CB-CG2 4.02Å; V416-R418 HydrophobicContact CG1-CG 4.46Å |
| 417 | V | 94.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117 | 172.4 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | V51 C321 R322 F324 | V51-V417 HydrophobicContact CG1-CG2 3.68Å; V51-V417 HydrophobicContact CG2-CG2 4.44Å; C321-V417 WeakPolarHBondContact CA-O 3.25Å; R322-V417 PolarHBondContact N-O 3.44Å; R322-V417 PolarHBondContact O-N 2.79Å; F324-V417 HydrophobicContact CE2-CG2 4.16Å |
| 418 | R | 92.5 | Very high | 92.8 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.6 | 169.5 | -62.8 | -169.6 | -177.7 | -158.4 | -1.2 | 110.2 | M320 P393 V416 | M320-R418 WeakPolarHBondContact O-CA 3.25Å; P393-R418 PolarHBondContact O-NH2 2.8Å; V416-R418 HydrophobicContact CG1-CG 4.46Å |
| 419 | W | 87.6 | Confident | 93 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 147.6 | 179.2 | 68.5 | -42.8 | 0 | 0 | 0 | 111.3 | R47 G61 E319 M320 F386 A421 Y422 | R47-W419 HydrophobicContact CB-CE3 3.9Å; R47-W419 HydrophobicContact CB-CZ3 3.72Å; R47-W419 HydrophobicContact CG-CE3 3.7Å; R47-W419 HydrophobicContact CG-CZ3 3.93Å; R47-W419 WeakPolarHBondContact O-CZ3 2.96Å; G61-W419 VanDerWaalsContact CA-CZ3 3.45Å; E319-W419 WeakPolarHBondContact CA-O 3.16Å; M320-W419 PolarHBondContact N-O 2.93Å; M320-W419 VanDerWaalsContact O-CD1 3.26Å; M320-W419 PolarHBondContact O-N 2.86Å; F386-W419 HydrophobicContact CE1-CZ2 4.48Å; W419-A421 HydrophobicContact CD2-CB 4.21Å; W419-A421 HydrophobicContact CH2-CB 4.32Å; W419-A421 HydrophobicContact CZ2-CB 3.82Å; W419-A421 PolarHBondContact O-N 2.92Å; W419-Y422 HydrophobicContact CH2-CE1 4.36Å; W419-Y422 AromaticContact CH2-CZ 3.97Å; W419-Y422 WeakPolarHBondContact CH2-OH 3.47Å |
| 420 | L | 87.8 | Confident | 93.1 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 103.2 | 170.6 | -165.3 | 76.6 | 0 | 0 | 0 | 107.9 | R47 P297 H299 Y317 | R47-L420 VanDerWaalsContact CD-O 3.23Å; R47-L420 WeakPolarHBondContact CD-O 3.11Å; P297-L420 HydrophobicContact CB-CD2 4.4Å; H299-L420 HydrophobicContact CB-CD2 3.67Å; H299-L420 WeakPolarHBondContact CD2-CD2 3.33Å; Y317-L420 HydrophobicContact CD1-CD2 4.21Å; Y317-L420 HydrophobicContact CD1-CG 4.17Å; Y317-L420 HydrophobicContact CG-CD2 4.05Å; Y317-L420 HydrophobicContact CG-CG 4.19Å |
| 421 | A | 86 | Confident | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -66.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R47 H318 M320 W419 | R47-A421 WeakPolarHBondContact CD-O 3.38Å; R47-A421 PolarHBondContact NH1-O 3.3Å; H318-A421 PolarHBondContact O-N 2.7Å; M320-A421 HydrophobicContact CB-CB 4.06Å; M320-A421 HydrophobicContact CG-CB 3.56Å; W419-A421 HydrophobicContact CD2-CB 4.21Å; W419-A421 HydrophobicContact CH2-CB 4.32Å; W419-A421 HydrophobicContact CZ2-CB 3.82Å; W419-A421 PolarHBondContact O-N 2.92Å |
| 422 | Y | 87.5 | Confident | 93.7 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 161.4 | -168.3 | -44.5 | -62.8 | 0 | 0 | 0 | 112.1 | N202 Y203 Y317 H318 W419 S455 | N202-Y422 WeakPolarHBondContact O-CE2 3.31Å; Y203-Y422 HydrophobicContact CD1-CD1 4.39Å; Y203-Y422 HydrophobicContact CD1-CD2 4Å; Y203-Y422 HydrophobicContact CD1-CE2 4.35Å; Y203-Y422 HydrophobicContact CD1-CG 4.02Å; Y203-Y422 HydrophobicContact CE1-CD1 4.47Å; Y317-Y422 WeakPolarHBondContact CA-O 3.32Å; Y317-Y422 WeakPolarHBondContact CD1-O 3.47Å; H318-Y422 PolarHBondContact N-O 3.27Å; W419-Y422 HydrophobicContact CH2-CE1 4.36Å; W419-Y422 AromaticContact CH2-CZ 3.97Å; W419-Y422 WeakPolarHBondContact CH2-OH 3.47Å; Y422-S455 VanDerWaalsContact CD1-CB 3.48Å; Y422-S455 VanDerWaalsContact CD1-OG 3.27Å; Y422-S455 WeakPolarHBondContact CD1-OG 3.3Å |
| 423 | P | 93 | Very high | 93.8 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 155.7 | 168.5 | -21.8 | 33.5 | 0 | 0 | 0 | 113.2 | Q205 R316 Y317 Y425 E451 | Q205-P423 PolarHBondContact NE2-O 3.24Å; R316-P423 CarbonylContact O-C 3.54Å; R316-P423 WeakPolarHBondContact O-CA 3.41Å; Y317-P423 HydrophobicContact CE1-CG 3.95Å; Y317-P423 HydrophobicContact CE2-CB 4.45Å; Y317-P423 HydrophobicContact CE2-CG 3.91Å; P423-Y425 WeakPolarHBondContact O-CE2 3.04Å; P423-Y425 PolarHBondContact O-N 2.78Å; P423-E451 HydrophobicContact CG-CB 3.97Å |
| 424 | T | 93.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | trans | -72.2 | 110.5 | 164.9 | -51.5 | 0 | 0 | 0 | 0 | 109.8 | R316 H318 H426 | R316-T424 WeakPolarHBondContact CG-OG1 3.29Å; R316-T424 PolarHBondContact O-N 2.9Å; R316-T424 PolarHBondContact O-OG1 2.82Å; H318-T424 PolarHBondContact CD2-OG1 3.01Å; H318-T424 WeakPolarHBondContact NE2-CA 3.41Å; H318-T424 VanDerWaalsContact NE2-CB 3.28Å; H318-T424 WeakPolarHBondContact NE2-CB 3.37Å; H318-T424 WeakPolarHBondContact NE2-CG2 3.4Å; H318-T424 PolarHBondContact NE2-OG1 2.74Å; T424-H426 PolarHBondContact O-ND1 3.25Å | ||
| 425 | Y | 96 | Very high | 93.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | trans | -83.6 | 137.5 | 178.3 | -56.7 | -74.6 | 0 | 0 | 0 | 110.7 | Y203 H211 V214 P423 E451 S455 | Y203-Y425 AromaticContact CD1-CE2 3.53Å; Y203-Y425 HydrophobicContact CD1-CE2 3.53Å; Y203-Y425 AromaticContact CD1-CZ 3.94Å; Y203-Y425 HydrophobicContact CE1-CE2 4.11Å; Y203-Y425 VanDerWaalsContact CE1-OH 3.32Å; Y203-Y425 WeakPolarHBondContact CE1-OH 3.01Å; Y203-Y425 HydrophobicContact CG-CE2 4.07Å; H211-Y425 AromaticContact NE2-CD1 3.47Å; H211-Y425 WeakPolarHBondContact NE2-CD1 3.42Å; V214-Y425 HydrophobicContact CB-CD1 4.21Å; V214-Y425 HydrophobicContact CB-CD2 4.48Å; V214-Y425 HydrophobicContact CB-CE1 4.32Å; V214-Y425 HydrophobicContact CB-CG 4.29Å; V214-Y425 HydrophobicContact CG1-CD1 4.09Å; V214-Y425 HydrophobicContact CG1-CD2 4.08Å; V214-Y425 HydrophobicContact CG1-CG 3.78Å; V214-Y425 HydrophobicContact CG2-CD1 4.34Å; V214-Y425 HydrophobicContact CG2-CD2 4.01Å; V214-Y425 HydrophobicContact CG2-CE1 4.11Å; V214-Y425 HydrophobicContact CG2-CE2 3.83Å; V214-Y425 HydrophobicContact CG2-CG 4.29Å; P423-Y425 WeakPolarHBondContact O-CE2 3.04Å; P423-Y425 PolarHBondContact O-N 2.78Å; Y425-E451 VanDerWaalsContact CE1-O 3.23Å; Y425-E451 WeakPolarHBondContact CE1-O 3.32Å; Y425-E451 PolarHBondContact OH-O 3.21Å; Y425-S455 WeakPolarHBondContact OH-CB 3.47Å; Y425-S455 PolarHBondContact OH-N 3.46Å | ||
| 426 | H | 96.5 | Very high | 93.9 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | trans | -154.9 | 158.2 | 174 | 53.7 | -77.4 | 0 | 0 | 0 | 109.5 | D209 H211 T424 V428 | D209-H426 WeakPolarHBondContact O-CA 3.19Å; H211-H426 PolarHBondContact CD2-O 3.37Å; T424-H426 PolarHBondContact O-ND1 3.25Å; H426-V428 PolarHBondContact O-N 2.89Å | ||
| 427 | P | 98.2 | Very high | 94 | Very high | 45 Ų | 45 | 47 Ų | 47 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | trans | -51.8 | 132.7 | 169.4 | -29.7 | 36.7 | 0 | 0 | 0 | 112 | T172 T175 D209 | T172-P427 CarbonylContact O-C 3.53Å; T172-P427 VanDerWaalsContact O-CA 3.28Å; T172-P427 WeakPolarHBondContact O-CA 3.39Å; T175-P427 HydrophobicContact CG2-CG 3.68Å; D209-P427 VanDerWaalsContact O-CD 3.24Å; D209-P427 WeakPolarHBondContact O-CD 3.12Å | ||
| 428 | V | 97.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | trans | -103.8 | 153.4 | 175.1 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | T172 K173 H426 P431 D434 L435 | T172-V428 PolarHBondContact O-N 3.43Å; K173-V428 WeakPolarHBondContact CA-O 3.23Å; H426-V428 PolarHBondContact O-N 2.89Å; V428-P431 HydrophobicContact CG2-CB 4.29Å; V428-P431 HydrophobicContact CG2-CG 4.04Å; V428-D434 HydrophobicContact CB-CB 3.66Å; V428-D434 HydrophobicContact CG1-CB 3.78Å; V428-D434 HydrophobicContact CG2-CB 4.4Å; V428-L435 HydrophobicContact CG1-CD2 4.12Å; V428-L435 HydrophobicContact CG2-CD2 4.32Å; V428-L435 HydrophobicContact CG2-CG 4.36Å | ||
| 429 | N | 97 | Very high | 94.3 | Very high | 153 Ų | 153 | 44 Ų | 44 | 82% | 0.818 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -83.3 | -46.8 | 178 | -68.1 | -46.2 | 0 | 0 | 0 | 110.5 | D434 | N429-D434 PolarHBondContact N-OD2 3.11Å; N429-D434 VanDerWaalsContact N-OD2 3.1Å |
| 430 | D | 97 | Very high | 94.7 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | trans | -122 | 100.4 | 178.8 | -177 | -9.1 | 0 | 0 | 0 | 110.3 | Y432 T433 D434 | D430-Y432 PolarHBondContact O-N 3.27Å; D430-Y432 VanDerWaalsContact O-N 3.1Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.45Å; D430-Y432 WeakPolarHBondContact OD1-CD2 3.44Å; D430-Y432 PolarHBondContact OD1-N 3.1Å; D430-T433 WeakPolarHBondContact CB-OG1 3.23Å; D430-T433 PolarHBondContact O-N 2.95Å; D430-T433 PolarHBondContact O-OG1 3.37Å; D430-T433 PolarHBondContact OD2-OG1 3.13Å; D430-D434 PolarHBondContact N-OD2 2.67Å; D430-D434 WeakPolarHBondContact O-CB 2.87Å; D430-D434 PolarHBondContact O-N 2.97Å | ||
| 431 | P | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.3 | -24.3 | 178.7 | -24.1 | 33.9 | 0 | 0 | 0 | 114.4 | G158 P169 T172 K173 V428 T433 L435 | G158-P431 WeakPolarHBondContact CA-O 3.48Å; P169-P431 HydrophobicContact CB-CB 4.2Å; P169-P431 HydrophobicContact CB-CG 4.17Å; T172-P431 WeakPolarHBondContact OG1-CB 3.43Å; T172-P431 VanDerWaalsContact OG1-CG 3.29Å; T172-P431 WeakPolarHBondContact OG1-CG 3.42Å; K173-P431 HydrophobicContact CD-CG 4.36Å; K173-P431 VanDerWaalsContact CE-CD 3.47Å; K173-P431 HydrophobicContact CG-CG 3.93Å; V428-P431 HydrophobicContact CG2-CB 4.29Å; V428-P431 HydrophobicContact CG2-CG 4.04Å; P431-T433 VanDerWaalsContact C-N 3.34Å; P431-L435 HydrophobicContact CB-CD1 3.82Å; P431-L435 WeakPolarHBondContact O-CB 3.35Å; P431-L435 VanDerWaalsContact O-CD1 3.31Å; P431-L435 WeakPolarHBondContact O-CD1 3.49Å; P431-L435 WeakPolarHBondContact O-CG 3.49Å |
| 432 | Y | 95.4 | Very high | 95.3 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -79.2 | -21.5 | -175.5 | -52.9 | -79.6 | 0 | 0 | 0 | 112.3 | S156 L159 E162 D430 Q437 | S156-Y432 PolarHBondContact OG-O 2.85Å; L159-Y432 HydrophobicContact CD2-CD1 3.94Å; L159-Y432 HydrophobicContact CD2-CE1 4.24Å; L159-Y432 HydrophobicContact CG-CD1 4.19Å; E162-Y432 HydrophobicContact CB-CE1 4.18Å; E162-Y432 PolarHBondContact OE1-OH 3.19Å; D430-Y432 PolarHBondContact O-N 3.27Å; D430-Y432 VanDerWaalsContact O-N 3.1Å; D430-Y432 WeakPolarHBondContact OD1-CB 3.45Å; D430-Y432 WeakPolarHBondContact OD1-CD2 3.44Å; D430-Y432 PolarHBondContact OD1-N 3.1Å; Y432-Q437 PolarHBondContact O-NE2 3.06Å |
| 433 | T | 93.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 45.5 Ų | 45.5 | 47% | 0.466 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -111.1 | -46.5 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | D430 P431 L435 G436 | D430-T433 WeakPolarHBondContact CB-OG1 3.23Å; D430-T433 PolarHBondContact O-N 2.95Å; D430-T433 PolarHBondContact O-OG1 3.37Å; D430-T433 PolarHBondContact OD2-OG1 3.13Å; P431-T433 VanDerWaalsContact C-N 3.34Å; T433-L435 VanDerWaalsContact C-N 3.33Å; T433-L435 PolarHBondContact O-N 3.42Å; T433-G436 PolarHBondContact O-N 3.23Å |
| 434 | D | 95.7 | Very high | 95.9 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -75.3 | -24.5 | -166.4 | -61.8 | -9.9 | 0 | 0 | 0 | 112.2 | V428 N429 D430 G436 | V428-D434 HydrophobicContact CB-CB 3.66Å; V428-D434 HydrophobicContact CG1-CB 3.78Å; V428-D434 HydrophobicContact CG2-CB 4.4Å; N429-D434 PolarHBondContact N-OD2 3.11Å; N429-D434 VanDerWaalsContact N-OD2 3.1Å; D430-D434 PolarHBondContact N-OD2 2.67Å; D430-D434 WeakPolarHBondContact O-CB 2.87Å; D430-D434 PolarHBondContact O-N 2.97Å; D434-G436 PolarHBondContact O-N 3.36Å |
| 435 | L | 95.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 0.6 | 171.4 | -60.4 | 172.8 | 0 | 0 | 0 | 112.5 | P157 L161 T172 V428 P431 T433 S452 T453 | P157-L435 HydrophobicContact CB-CB 4.19Å; P157-L435 HydrophobicContact CG-CB 4.47Å; L161-L435 HydrophobicContact CD1-CD1 4.23Å; T172-L435 HydrophobicContact CG2-CD1 3.96Å; T172-L435 HydrophobicContact CG2-CD2 4.44Å; V428-L435 HydrophobicContact CG1-CD2 4.12Å; V428-L435 HydrophobicContact CG2-CD2 4.32Å; V428-L435 HydrophobicContact CG2-CG 4.36Å; P431-L435 HydrophobicContact CB-CD1 3.82Å; P431-L435 WeakPolarHBondContact O-CB 3.35Å; P431-L435 VanDerWaalsContact O-CD1 3.31Å; P431-L435 WeakPolarHBondContact O-CD1 3.49Å; P431-L435 WeakPolarHBondContact O-CG 3.49Å; T433-L435 VanDerWaalsContact C-N 3.33Å; T433-L435 PolarHBondContact O-N 3.42Å; L435-S452 WeakPolarHBondContact CA-OG 3.12Å; L435-S452 WeakPolarHBondContact CB-OG 2.75Å; L435-S452 WeakPolarHBondContact O-CB 3.44Å; L435-S452 PolarHBondContact O-OG 3.36Å; L435-T453 HydrophobicContact CB-CG2 4.46Å; L435-T453 HydrophobicContact CD1-CG2 4.01Å; L435-T453 HydrophobicContact CD2-CG2 4.28Å; L435-T453 HydrophobicContact CG-CG2 4.48Å |
| 436 | G | 95.2 | Very high | 96.2 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | trans | 84.1 | -173.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S156 P157 T433 D434 | S156-G436 WeakPolarHBondContact CB-O 3.45Å; P157-G436 WeakPolarHBondContact CD-O 3.23Å; T433-G436 PolarHBondContact O-N 3.23Å; D434-G436 PolarHBondContact O-N 3.36Å | ||
| 437 | Q | 96.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 38.2 Ų | 38.2 | 31% | 0.308 | 21% | 0.207 | S | C | . | . | trans | -129.8 | 138.6 | -174.3 | -59.7 | -63.2 | -50.4 | 0 | 0 | 110.7 | A155 Y432 K439 A449 | A155-Q437 PolarHBondContact O-OE1 2.91Å; Y432-Q437 PolarHBondContact O-NE2 3.06Å; Q437-K439 VanDerWaalsContact C-N 3.34Å; Q437-K439 WeakPolarHBondContact CB-O 3.28Å; Q437-A449 WeakPolarHBondContact O-CB 3.16Å | ||
| 438 | F | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -74.1 | -28.5 | 168.4 | -67.2 | -68.8 | 0 | 0 | 0 | 111.8 | F154 A155 S156 P157 L160 Y445 Y446 A449 I450 N466 V467 L470 | F154-F438 VanDerWaalsContact O-CD2 3.28Å; F154-F438 WeakPolarHBondContact O-CD2 3.49Å; A155-F438 WeakPolarHBondContact O-CB 3.19Å; A155-F438 PolarHBondContact O-N 2.77Å; S156-F438 VanDerWaalsContact C-CE2 3.44Å; P157-F438 HydrophobicContact CB-CE2 4.34Å; P157-F438 HydrophobicContact CB-CZ 4.42Å; P157-F438 HydrophobicContact CG-CD2 4.49Å; P157-F438 HydrophobicContact CG-CE2 3.91Å; P157-F438 HydrophobicContact CG-CZ 3.92Å; L160-F438 HydrophobicContact CD1-CE2 4.3Å; L160-F438 HydrophobicContact CD1-CZ 4.35Å; F438-Y445 CarbonylContact O-C 3.46Å; F438-Y445 WeakPolarHBondContact O-CA 3.43Å; F438-Y445 WeakPolarHBondContact O-CD1 3.35Å; F438-Y446 WeakPolarHBondContact CD1-O 3.42Å; F438-Y446 PolarHBondContact O-N 3.09Å; F438-A449 HydrophobicContact CD1-CB 3.9Å; F438-A449 HydrophobicContact CE1-CB 4.1Å; F438-A449 HydrophobicContact CG-CB 4.38Å; F438-I450 HydrophobicContact CE1-CB 3.86Å; F438-I450 HydrophobicContact CZ-CB 3.85Å; F438-I450 HydrophobicContact CZ-CD1 4.25Å; F438-I450 HydrophobicContact CZ-CG1 4.35Å; F438-N466 WeakPolarHBondContact CD2-ND2 3.47Å; F438-N466 WeakPolarHBondContact CE2-ND2 3.49Å; F438-N466 VanDerWaalsContact CG-ND2 3.33Å; F438-N466 WeakPolarHBondContact CG-ND2 3.16Å; F438-V467 HydrophobicContact CB-CG1 4.29Å; F438-V467 HydrophobicContact CD1-CG1 4.27Å; F438-L470 HydrophobicContact CB-CD1 3.71Å |
| 439 | K | 95.8 | Very high | 96.2 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.4 | 174.2 | -173.4 | 174.5 | -171.1 | 165.8 | 0 | 109.1 | Q437 A441 Y445 E474 | Q437-K439 VanDerWaalsContact C-N 3.34Å; Q437-K439 WeakPolarHBondContact CB-O 3.28Å; K439-A441 WeakPolarHBondContact CE-O 3.34Å; K439-A441 WeakPolarHBondContact CG-O 3.3Å; K439-Y445 HydrophobicContact CB-CD1 4.24Å; K439-Y445 HydrophobicContact CB-CE1 4Å; K439-Y445 HydrophobicContact CD-CE1 4.27Å; K439-Y445 HydrophobicContact CG-CD1 4.44Å; K439-Y445 HydrophobicContact CG-CE1 3.93Å; K439-E474 IonicContact NZ-OE1 3.73Å; K439-E474 PolarHBondContact NZ-OE1 2.91Å |
| 440 | L | 95 | Very high | 96.2 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -32.8 | -179.7 | -60.2 | -174.4 | 0 | 0 | 0 | 112.4 | L294 L298 L312 P313 V444 Y446 | L294-L440 HydrophobicContact CD1-CD1 4.09Å; L298-L440 HydrophobicContact CD1-CD1 4.31Å; L312-L440 HydrophobicContact CD2-CD1 3.72Å; P313-L440 HydrophobicContact CG-CD2 4.45Å; L440-V444 HydrophobicContact CB-CG1 4.23Å; L440-V444 HydrophobicContact CD1-CG1 4.47Å; L440-V444 PolarHBondContact N-O 3.41Å; L440-Y446 HydrophobicContact CD1-CG 4.21Å; L440-Y446 HydrophobicContact CD2-CD1 4.45Å; L440-Y446 HydrophobicContact CD2-CG 4.36Å; L440-Y446 HydrophobicContact CG-CG 4.46Å |
| 441 | A | 94.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 12% | 0.116 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I310 K439 R443 V444 | I310-A441 HydrophobicContact CB-CB 4.38Å; I310-A441 HydrophobicContact CG1-CB 3.93Å; K439-A441 WeakPolarHBondContact CE-O 3.34Å; K439-A441 WeakPolarHBondContact CG-O 3.3Å; A441-R443 PolarHBondContact O-N 2.84Å; A441-V444 HydrophobicContact CB-CB 4.2Å; A441-V444 HydrophobicContact CB-CG2 4.31Å; A441-V444 PolarHBondContact N-O 3.44Å; A441-V444 PolarHBondContact O-N 2.81Å |
| 442 | S | 92.9 | Very high | 96.1 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 125.5 | 166.6 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | R266 V444 | R266-S442 PolarHBondContact NH1-O 3.06Å; R266-S442 PolarHBondContact NH2-O 3.46Å; S442-V444 PolarHBondContact O-N 2.83Å |
| 443 | R | 95.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 22.8 Ų | 22.8 | 13% | 0.132 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 7.8 | 179.3 | -53.6 | 165.5 | 178.5 | -69 | -7.7 | 116.7 | D270 L272 D290 Y291 V292 A441 | D270-R443 IonicContact OD2-CZ 2.83Å; D270-R443 IonicContact OD2-NE 3.38Å; D270-R443 PolarHBondContact OD2-NE 3.38Å; D270-R443 IonicContact OD2-NH2 3.69Å; L272-R443 HydrophobicContact CD1-CB 3.92Å; L272-R443 WeakPolarHBondContact CD1-O 3.4Å; D290-R443 WeakPolarHBondContact O-CB 3.19Å; D290-R443 VanDerWaalsContact O-CD 3.28Å; D290-R443 WeakPolarHBondContact O-CD 3.45Å; Y291-R443 WeakPolarHBondContact CA-O 3.34Å; Y291-R443 HydrophobicContact CD1-CB 3.76Å; Y291-R443 HydrophobicContact CD1-CG 4.04Å; Y291-R443 HydrophobicContact CE1-CB 4.08Å; Y291-R443 HydrophobicContact CE1-CG 3.82Å; Y291-R443 HydrophobicContact CG-CB 4.43Å; Y291-R443 PolarHBondContact OH-NH1 3.32Å; V292-R443 PolarHBondContact N-O 3.02Å; A441-R443 PolarHBondContact O-N 2.84Å |
| 444 | V | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | L272 V292 L294 I310 L440 A441 S442 | L272-V444 HydrophobicContact CD1-CG2 3.7Å; L272-V444 HydrophobicContact CD2-CG2 3.93Å; V292-V444 WeakPolarHBondContact O-CA 3.39Å; L294-V444 HydrophobicContact CD1-CG1 4.2Å; I310-V444 HydrophobicContact CD1-CG2 3.95Å; I310-V444 HydrophobicContact CG1-CG2 4.2Å; I310-V444 HydrophobicContact CG2-CG1 4.1Å; I310-V444 HydrophobicContact CG2-CG2 4.49Å; L440-V444 HydrophobicContact CB-CG1 4.23Å; L440-V444 HydrophobicContact CD1-CG1 4.47Å; L440-V444 PolarHBondContact N-O 3.41Å; A441-V444 HydrophobicContact CB-CB 4.2Å; A441-V444 HydrophobicContact CB-CG2 4.31Å; A441-V444 PolarHBondContact N-O 3.44Å; A441-V444 PolarHBondContact O-N 2.81Å; S442-V444 PolarHBondContact O-N 2.83Å |
| 445 | Y | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.1 | -170.7 | -67.1 | -81.3 | 0 | 0 | 0 | 113 | Y291 V292 I293 L294 F438 K439 V467 L470 I471 E474 | Y291-Y445 HydrophobicContact CD1-CD2 4.48Å; Y291-Y445 AromaticContact CD1-CE2 3.93Å; Y291-Y445 HydrophobicContact CD1-CE2 3.93Å; Y291-Y445 HydrophobicContact CE1-CE2 4.36Å; V292-Y445 PolarHBondContact O-N 2.94Å; I293-Y445 CarbonylContact C-O 3.53Å; I293-Y445 WeakPolarHBondContact CA-O 3.46Å; L294-Y445 PolarHBondContact N-O 2.82Å; F438-Y445 CarbonylContact O-C 3.46Å; F438-Y445 WeakPolarHBondContact O-CA 3.43Å; F438-Y445 WeakPolarHBondContact O-CD1 3.35Å; K439-Y445 HydrophobicContact CB-CD1 4.24Å; K439-Y445 HydrophobicContact CB-CE1 4Å; K439-Y445 HydrophobicContact CD-CE1 4.27Å; K439-Y445 HydrophobicContact CG-CD1 4.44Å; K439-Y445 HydrophobicContact CG-CE1 3.93Å; Y445-V467 HydrophobicContact CG-CB 4.49Å; Y445-L470 HydrophobicContact CD1-CB 4.08Å; Y445-L470 HydrophobicContact CD1-CD1 3.86Å; Y445-L470 HydrophobicContact CE1-CB 3.51Å; Y445-L470 HydrophobicContact CE1-CD1 3.82Å; Y445-L470 HydrophobicContact CE1-CG 4.24Å; Y445-I471 HydrophobicContact CD2-CD1 3.92Å; Y445-I471 HydrophobicContact CD2-CG1 3.6Å; Y445-I471 HydrophobicContact CE2-CD1 4.24Å; Y445-I471 HydrophobicContact CE2-CG1 3.42Å; Y445-I471 VanDerWaalsContact CE2-CG1 3.42Å; Y445-I471 HydrophobicContact CG-CG1 4.37Å; Y445-E474 VanDerWaalsContact OH-CD 3.27Å; Y445-E474 PolarHBondContact OH-OE2 2.83Å |
| 446 | Y | 98 | Very high | 96.2 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | trans | -135.4 | 84.7 | -173.1 | -173.7 | -123.8 | 0 | 0 | 0 | 111.5 | L294 L296 L298 P313 L315 F438 L440 N448 A449 | L294-Y446 HydrophobicContact CB-CD2 4.17Å; L294-Y446 WeakPolarHBondContact O-CD2 3.45Å; L296-Y446 VanDerWaalsContact O-CE2 3.22Å; L296-Y446 WeakPolarHBondContact O-CE2 3.47Å; L296-Y446 PolarHBondContact O-OH 3.08Å; L298-Y446 HydrophobicContact CB-CE2 4.29Å; L298-Y446 HydrophobicContact CD1-CD2 3.69Å; L298-Y446 HydrophobicContact CD1-CE1 4.43Å; L298-Y446 HydrophobicContact CD1-CE2 3.45Å; L298-Y446 VanDerWaalsContact CD1-CE2 3.45Å; L298-Y446 HydrophobicContact CD1-CG 4.34Å; L298-Y446 HydrophobicContact CG-CD2 4.3Å; L298-Y446 HydrophobicContact CG-CE2 3.61Å; L298-Y446 PolarHBondContact N-OH 3.03Å; P313-Y446 HydrophobicContact CG-CD1 4.15Å; P313-Y446 HydrophobicContact CG-CE1 3.94Å; L315-Y446 HydrophobicContact CD1-CE1 4.49Å; F438-Y446 WeakPolarHBondContact CD1-O 3.42Å; F438-Y446 PolarHBondContact O-N 3.09Å; L440-Y446 HydrophobicContact CD1-CG 4.21Å; L440-Y446 HydrophobicContact CD2-CD1 4.45Å; L440-Y446 HydrophobicContact CD2-CG 4.36Å; L440-Y446 HydrophobicContact CG-CG 4.46Å; Y446-N448 HydrophobicContact CD2-CB 4.38Å; Y446-N448 HydrophobicContact CE1-CB 4.17Å; Y446-N448 HydrophobicContact CE2-CB 3.67Å; Y446-N448 PolarHBondContact O-N 2.83Å; Y446-N448 WeakPolarHBondContact OH-CB 3.37Å; Y446-A449 HydrophobicContact CD1-CB 3.71Å; Y446-A449 VanDerWaalsContact CD1-N 3.33Å; Y446-A449 HydrophobicContact CE1-CB 4.2Å; Y446-A449 VanDerWaalsContact CE1-N 3.29Å; Y446-A449 WeakPolarHBondContact O-CB 3.3Å; Y446-A449 PolarHBondContact O-N 2.95Å | ||
| 447 | P | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -62.5 | -27.6 | -178.4 | 24 | -34.6 | 0 | 0 | 0 | 113 | I293 L294 S295 A449 I450 V467 | I293-P447 HydrophobicContact CG2-CG 3.8Å; L294-P447 WeakPolarHBondContact O-CD 3.39Å; S295-P447 WeakPolarHBondContact OG-CG 3.26Å; P447-A449 PolarHBondContact O-N 2.9Å; P447-I450 VanDerWaalsContact O-CG2 3.3Å; P447-I450 WeakPolarHBondContact O-CG2 3.34Å; P447-V467 HydrophobicContact CB-CG1 3.96Å; P447-V467 HydrophobicContact CB-CG2 3.89Å; P447-V467 HydrophobicContact CG-CG2 4.23Å |
| 448 | N | 96.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 14.4 Ų | 14.4 | 4% | 0.037 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -72.3 | -5 | -179.2 | -62.3 | 62.5 | 0 | 0 | 0 | 113.1 | S295 Y446 I450 E451 | S295-N448 WeakPolarHBondContact CA-OD1 3.29Å; S295-N448 PolarHBondContact OG-OD1 2.99Å; Y446-N448 HydrophobicContact CD2-CB 4.38Å; Y446-N448 HydrophobicContact CE1-CB 4.17Å; Y446-N448 HydrophobicContact CE2-CB 3.67Å; Y446-N448 PolarHBondContact O-N 2.83Å; Y446-N448 WeakPolarHBondContact OH-CB 3.37Å; N448-I450 PolarHBondContact O-N 3.12Å; N448-I450 VanDerWaalsContact O-N 3.13Å; N448-E451 WeakPolarHBondContact CB-OE1 3.46Å; N448-E451 PolarHBondContact ND2-OE1 2.85Å; N448-E451 VanDerWaalsContact O-CB 3.28Å; N448-E451 WeakPolarHBondContact O-CB 3.4Å; N448-E451 WeakPolarHBondContact O-CG 3.36Å; N448-E451 PolarHBondContact O-N 2.75Å |
| 449 | A | 96.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -51.9 | -36.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P157 Q437 F438 Y446 P447 E451 S452 | P157-A449 HydrophobicContact CG-CB 3.88Å; P157-A449 WeakPolarHBondContact CG-O 3.4Å; Q437-A449 WeakPolarHBondContact O-CB 3.16Å; F438-A449 HydrophobicContact CD1-CB 3.9Å; F438-A449 HydrophobicContact CE1-CB 4.1Å; F438-A449 HydrophobicContact CG-CB 4.38Å; Y446-A449 HydrophobicContact CD1-CB 3.71Å; Y446-A449 VanDerWaalsContact CD1-N 3.33Å; Y446-A449 HydrophobicContact CE1-CB 4.2Å; Y446-A449 VanDerWaalsContact CE1-N 3.29Å; Y446-A449 WeakPolarHBondContact O-CB 3.3Å; Y446-A449 PolarHBondContact O-N 2.95Å; P447-A449 PolarHBondContact O-N 2.9Å; A449-E451 PolarHBondContact O-N 3.03Å; A449-E451 VanDerWaalsContact O-N 3.12Å; A449-S452 PolarHBondContact O-N 2.95Å; A449-S452 PolarHBondContact O-OG 3.14Å |
| 450 | I | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -60.5 | -22.6 | 179.7 | -163.1 | 157.1 | 0 | 0 | 0 | 113.8 | L160 F438 P447 N448 S452 T453 A454 M459 I462 | L160-I450 HydrophobicContact CD1-CD1 4.36Å; F438-I450 HydrophobicContact CE1-CB 3.86Å; F438-I450 HydrophobicContact CZ-CB 3.85Å; F438-I450 HydrophobicContact CZ-CD1 4.25Å; F438-I450 HydrophobicContact CZ-CG1 4.35Å; P447-I450 VanDerWaalsContact O-CG2 3.3Å; P447-I450 WeakPolarHBondContact O-CG2 3.34Å; N448-I450 PolarHBondContact O-N 3.12Å; N448-I450 VanDerWaalsContact O-N 3.13Å; I450-S452 PolarHBondContact O-N 2.74Å; I450-T453 WeakPolarHBondContact O-CB 3.44Å; I450-T453 PolarHBondContact O-N 3.06Å; I450-T453 PolarHBondContact O-OG1 2.83Å; I450-A454 PolarHBondContact O-N 2.74Å; I450-M459 HydrophobicContact CD1-CE 3.99Å; I450-M459 WeakPolarHBondContact CD1-O 3.3Å; I450-M459 HydrophobicContact CG1-CB 4.41Å; I450-M459 HydrophobicContact CG1-CE 3.69Å; I450-M459 HydrophobicContact CG2-CB 4.49Å; I450-M459 WeakPolarHBondContact CG2-O 3.48Å; I450-I462 HydrophobicContact CD1-CB 4.05Å; I450-I462 HydrophobicContact CD1-CG2 3.65Å |
| 451 | E | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -65.9 | -21.1 | 179.4 | -67.5 | -178.4 | -140.2 | 0 | 0 | 113.2 | R47 Y317 P423 Y425 N448 A449 T453 | R47-E451 IonicContact CZ-OE1 2.89Å; R47-E451 IonicContact CZ-OE2 3.21Å; R47-E451 VanDerWaalsContact CZ-OE2 3.27Å; R47-E451 IonicContact NH1-OE1 3.12Å; R47-E451 IonicContact NH1-OE2 2.65Å; R47-E451 PolarHBondContact NH1-OE2 2.86Å; R47-E451 IonicContact NH2-OE1 2.67Å; R47-E451 PolarHBondContact NH2-OE1 2.81Å; R47-E451 IonicContact NH2-OE2 2.97Å; R47-E451 PolarHBondContact NH2-OE2 2.86Å; Y317-E451 PolarHBondContact OH-OE2 3.15Å; P423-E451 HydrophobicContact CG-CB 3.97Å; Y425-E451 VanDerWaalsContact CE1-O 3.23Å; Y425-E451 WeakPolarHBondContact CE1-O 3.32Å; Y425-E451 PolarHBondContact OH-O 3.21Å; N448-E451 WeakPolarHBondContact CB-OE1 3.46Å; N448-E451 PolarHBondContact ND2-OE1 2.85Å; N448-E451 VanDerWaalsContact O-CB 3.28Å; N448-E451 WeakPolarHBondContact O-CB 3.4Å; N448-E451 WeakPolarHBondContact O-CG 3.36Å; N448-E451 PolarHBondContact O-N 2.75Å; A449-E451 PolarHBondContact O-N 3.03Å; A449-E451 VanDerWaalsContact O-N 3.12Å; E451-T453 PolarHBondContact O-N 2.87Å |
| 452 | S | 95.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 9.3 Ų | 9.3 | 11% | 0.105 | 6% | 0.057 | C | C | . | . | G | 310 helix | trans | -63.5 | -22.5 | 172 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | H211 L435 A449 I450 | H211-S452 PolarHBondContact NE2-O 3.24Å; L435-S452 WeakPolarHBondContact CA-OG 3.12Å; L435-S452 WeakPolarHBondContact CB-OG 2.75Å; L435-S452 WeakPolarHBondContact O-CB 3.44Å; L435-S452 PolarHBondContact O-OG 3.36Å; A449-S452 PolarHBondContact O-N 2.95Å; A449-S452 PolarHBondContact O-OG 3.14Å; I450-S452 PolarHBondContact O-N 2.74Å |
| 453 | T | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.006 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -47.1 | 178.6 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | P157 L161 H211 F213 V214 L435 I450 E451 M459 | P157-T453 HydrophobicContact CB-CG2 3.52Å; L161-T453 HydrophobicContact CD1-CG2 3.9Å; L161-T453 HydrophobicContact CG-CG2 4.48Å; H211-T453 PolarHBondContact CE1-O 3.37Å; F213-T453 WeakPolarHBondContact CD1-O 3.49Å; V214-T453 WeakPolarHBondContact CB-O 3.46Å; L435-T453 HydrophobicContact CB-CG2 4.46Å; L435-T453 HydrophobicContact CD1-CG2 4.01Å; L435-T453 HydrophobicContact CD2-CG2 4.28Å; L435-T453 HydrophobicContact CG-CG2 4.48Å; I450-T453 WeakPolarHBondContact O-CB 3.44Å; I450-T453 PolarHBondContact O-N 3.06Å; I450-T453 PolarHBondContact O-OG1 2.83Å; E451-T453 PolarHBondContact O-N 2.87Å; T453-M459 WeakPolarHBondContact OG1-CE 3.45Å |
| 454 | A | 96 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -172 | 132.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | F213 V214 I217 I450 M459 | F213-A454 HydrophobicContact CE1-CB 4.37Å; V214-A454 HydrophobicContact CB-CB 4.47Å; V214-A454 HydrophobicContact CG2-CB 4.26Å; I217-A454 HydrophobicContact CB-CB 4.05Å; I217-A454 HydrophobicContact CG1-CB 4.04Å; I217-A454 HydrophobicContact CG2-CB 3.9Å; I450-A454 PolarHBondContact O-N 2.74Å; A454-M459 HydrophobicContact CB-CE 4.11Å; A454-M459 HydrophobicContact CB-CG 4.33Å; A454-M459 VanDerWaalsContact O-CB 3.32Å; A454-M459 WeakPolarHBondContact O-CB 3.3Å; A454-M459 WeakPolarHBondContact O-CG 3.39Å | ||
| 455 | S | 94.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 6.5 Ų | 6.5 | 8% | 0.084 | 4% | 0.039 | C | C | . | . | trans | -102.7 | 104.4 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | Y203 Y422 Y425 | Y203-S455 VanDerWaalsContact CE1-O 3.28Å; Y203-S455 WeakPolarHBondContact CE1-O 3.38Å; Y203-S455 PolarHBondContact OH-N 2.87Å; Y203-S455 PolarHBondContact OH-O 2.86Å; Y422-S455 VanDerWaalsContact CD1-CB 3.48Å; Y422-S455 VanDerWaalsContact CD1-OG 3.27Å; Y422-S455 WeakPolarHBondContact CD1-OG 3.3Å; Y425-S455 WeakPolarHBondContact OH-CB 3.47Å; Y425-S455 PolarHBondContact OH-N 3.46Å | ||
| 456 | C | 95 | Very high | 97.2 | Very high | 43 Ų | 43 | 6.4 Ų | 6.4 | 29% | 0.291 | 4% | 0.038 | S | C | . | . | S | Bend | trans | -143.6 | 173 | 165 | 78.9 | 0 | 0 | 0 | 0 | 110.6 | E458 M459 A460 | C456-E458 VanDerWaalsContact C-N 3.3Å; C456-E458 PolarHBondContact O-N 3.18Å; C456-M459 PolarHBondContact O-N 2.83Å; C456-M459 VanDerWaalsContact SG-CG 3.51Å; C456-A460 PolarHBondContact O-N 3.46Å |
| 457 | M | 96.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 6.3 Ų | 6.3 | 4% | 0.044 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -55.6 | -45.4 | -178.6 | -63.1 | -174 | -81.6 | 0 | 0 | 112 | I48 A62 I65 M72 A233 A460 I461 | I48-M457 HydrophobicContact CD1-CG 3.67Å; I48-M457 HydrophobicContact CD1-SD 3.55Å; I48-M457 VanDerWaalsContact CD1-SD 3.55Å; I48-M457 HydrophobicContact CG1-CG 4.08Å; I48-M457 HydrophobicContact CG1-SD 4.04Å; I48-M457 HydrophobicContact CG2-SD 4.45Å; A62-M457 HydrophobicContact CB-CE 4.2Å; A62-M457 HydrophobicContact CB-CG 3.71Å; A62-M457 HydrophobicContact CB-SD 4.02Å; I65-M457 HydrophobicContact CD1-CE 4.34Å; I65-M457 HydrophobicContact CG1-CE 3.61Å; M72-M457 HydrophobicContact CE-CB 4.5Å; M72-M457 HydrophobicContact CE-CE 3.96Å; M72-M457 HydrophobicContact CE-SD 3.66Å; M72-M457 HydrophobicContact CG-CB 4.1Å; M72-M457 HydrophobicContact SD-CB 3.82Å; M72-M457 HydrophobicContact SD-SD 4.17Å; A233-M457 HydrophobicContact CB-CE 4.46Å; A233-M457 HydrophobicContact CB-SD 4.05Å; M457-A460 PolarHBondContact O-N 3.42Å; M457-I461 VanDerWaalsContact O-CG1 3.31Å; M457-I461 WeakPolarHBondContact O-CG1 3.38Å; M457-I461 PolarHBondContact O-N 2.95Å |
| 458 | E | 97.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 1% | 0.009 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | -178.6 | -169.5 | 68.5 | -172.4 | 0 | 0 | 112.1 | N69 Y70 Y71 M72 Y145 C456 A460 I461 I462 | N69-E458 HydrophobicContact CB-CB 4.05Å; N69-E458 HydrophobicContact CB-CG 3.85Å; N69-E458 WeakPolarHBondContact CB-OE2 3.45Å; Y70-E458 PolarHBondContact N-OE1 3.23Å; Y71-E458 WeakPolarHBondContact CB-OE1 3.47Å; Y71-E458 WeakPolarHBondContact CD2-OE1 3.06Å; Y71-E458 PolarHBondContact N-OE1 2.98Å; Y71-E458 PolarHBondContact N-OE2 3.01Å; M72-E458 WeakPolarHBondContact CG-OE2 3.2Å; M72-E458 PolarHBondContact N-OE2 3.4Å; Y145-E458 WeakPolarHBondContact CE1-OE1 3.47Å; Y145-E458 VanDerWaalsContact CZ-OE1 3.25Å; Y145-E458 WeakPolarHBondContact OH-CG 3.15Å; Y145-E458 PolarHBondContact OH-OE1 2.81Å; C456-E458 VanDerWaalsContact C-N 3.3Å; C456-E458 PolarHBondContact O-N 3.18Å; E458-A460 VanDerWaalsContact C-N 3.32Å; E458-A460 PolarHBondContact O-N 3.19Å; E458-I461 PolarHBondContact O-N 3.38Å; E458-I462 HydrophobicContact CG-CD1 4.24Å; E458-I462 WeakPolarHBondContact O-CG1 3.26Å; E458-I462 PolarHBondContact O-N 2.87Å |
| 459 | M | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 6.8 Ų | 6.8 | 2% | 0.015 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 176 | -63.8 | -66 | -73.4 | 0 | 0 | 110.8 | F141 F213 I450 T453 A454 C456 I461 I462 G463 | F141-M459 HydrophobicContact CE1-SD 4.21Å; F141-M459 HydrophobicContact CE2-CE 4.35Å; F141-M459 HydrophobicContact CE2-SD 3.97Å; F141-M459 HydrophobicContact CZ-CE 4.24Å; F141-M459 HydrophobicContact CZ-SD 3.34Å; F141-M459 WeakPolarHBondContact CZ-SD 3.46Å; F213-M459 HydrophobicContact CE1-CE 4.16Å; I450-M459 HydrophobicContact CD1-CE 3.99Å; I450-M459 WeakPolarHBondContact CD1-O 3.3Å; I450-M459 HydrophobicContact CG1-CB 4.41Å; I450-M459 HydrophobicContact CG1-CE 3.69Å; I450-M459 HydrophobicContact CG2-CB 4.49Å; I450-M459 WeakPolarHBondContact CG2-O 3.48Å; T453-M459 WeakPolarHBondContact OG1-CE 3.45Å; A454-M459 HydrophobicContact CB-CE 4.11Å; A454-M459 HydrophobicContact CB-CG 4.33Å; A454-M459 VanDerWaalsContact O-CB 3.32Å; A454-M459 WeakPolarHBondContact O-CB 3.3Å; A454-M459 WeakPolarHBondContact O-CG 3.39Å; C456-M459 PolarHBondContact O-N 2.83Å; C456-M459 VanDerWaalsContact SG-CG 3.51Å; M459-I461 VanDerWaalsContact C-N 3.31Å; M459-I461 PolarHBondContact O-N 3.03Å; M459-I462 WeakPolarHBondContact O-CB 3.35Å; M459-I462 PolarHBondContact O-N 3.35Å; M459-I462 HydrophobicContact SD-CD1 4.5Å; M459-G463 PolarHBondContact O-N 3.06Å |
| 460 | A | 97.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 7.6 Ų | 7.6 | 7% | 0.066 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I16 C456 M457 E458 G463 G464 | I16-A460 HydrophobicContact CG2-CB 3.57Å; C456-A460 PolarHBondContact O-N 3.46Å; M457-A460 PolarHBondContact O-N 3.42Å; E458-A460 VanDerWaalsContact C-N 3.32Å; E458-A460 PolarHBondContact O-N 3.19Å; A460-G463 PolarHBondContact O-N 3.4Å; A460-G464 PolarHBondContact O-N 3.45Å |
| 461 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.3 | -42.6 | 172.7 | -62.8 | 164 | 0 | 0 | 0 | 111.2 | I16 F24 Y71 M72 F75 M457 E458 M459 G463 G464 R465 | I16-I461 HydrophobicContact CD1-CD1 4.12Å; I16-I461 HydrophobicContact CD1-CG1 3.98Å; I16-I461 HydrophobicContact CG1-CD1 4.01Å; I16-I461 HydrophobicContact CG1-CG1 3.56Å; F24-I461 HydrophobicContact CE2-CG2 3.78Å; F24-I461 HydrophobicContact CZ-CG2 4.24Å; Y71-I461 HydrophobicContact CD1-CG2 4.3Å; Y71-I461 HydrophobicContact CD2-CB 4.17Å; Y71-I461 HydrophobicContact CD2-CG2 3.54Å; Y71-I461 HydrophobicContact CE2-CG2 4.36Å; Y71-I461 HydrophobicContact CG-CB 4.41Å; Y71-I461 HydrophobicContact CG-CG2 3.52Å; M72-I461 HydrophobicContact CG-CD1 3.94Å; M72-I461 HydrophobicContact SD-CD1 3.53Å; M72-I461 VanDerWaalsContact SD-CD1 3.53Å; F75-I461 HydrophobicContact CD2-CD1 4.1Å; F75-I461 HydrophobicContact CE2-CD1 3.99Å; F75-I461 HydrophobicContact CE2-CG1 4.39Å; F75-I461 HydrophobicContact CE2-CG2 3.81Å; F75-I461 HydrophobicContact CZ-CG2 4.39Å; M457-I461 VanDerWaalsContact O-CG1 3.31Å; M457-I461 WeakPolarHBondContact O-CG1 3.38Å; M457-I461 PolarHBondContact O-N 2.95Å; E458-I461 PolarHBondContact O-N 3.38Å; M459-I461 VanDerWaalsContact C-N 3.31Å; M459-I461 PolarHBondContact O-N 3.03Å; I461-G463 VanDerWaalsContact C-N 3.27Å; I461-G463 PolarHBondContact O-N 2.74Å; I461-G464 PolarHBondContact O-N 3.37Å; I461-G464 VanDerWaalsContact O-N 3.14Å; I461-R465 PolarHBondContact O-N 2.86Å |
| 462 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 174.1 | -71 | 164.4 | 0 | 0 | 0 | 109.7 | Y71 F141 I144 Y145 Q148 L160 I450 E458 M459 R465 N466 | Y71-I462 HydrophobicContact CD2-CG1 4.09Å; Y71-I462 HydrophobicContact CE2-CG1 3.89Å; F141-I462 HydrophobicContact CE1-CD1 3.81Å; F141-I462 HydrophobicContact CZ-CD1 3.76Å; I144-I462 HydrophobicContact CD1-CG2 4.26Å; I144-I462 HydrophobicContact CG1-CD1 4.32Å; I144-I462 HydrophobicContact CG1-CG1 4.35Å; I144-I462 HydrophobicContact CG1-CG2 3.76Å; I144-I462 HydrophobicContact CG2-CD1 3.92Å; I144-I462 HydrophobicContact CG2-CG1 4.47Å; Y145-I462 HydrophobicContact CE1-CD1 4.45Å; Q148-I462 PolarHBondContact NE2-O 3.32Å; L160-I462 HydrophobicContact CD1-CG2 3.99Å; I450-I462 HydrophobicContact CD1-CB 4.05Å; I450-I462 HydrophobicContact CD1-CG2 3.65Å; E458-I462 HydrophobicContact CG-CD1 4.24Å; E458-I462 WeakPolarHBondContact O-CG1 3.26Å; E458-I462 PolarHBondContact O-N 2.87Å; M459-I462 WeakPolarHBondContact O-CB 3.35Å; M459-I462 PolarHBondContact O-N 3.35Å; M459-I462 HydrophobicContact SD-CD1 4.5Å; I462-R465 PolarHBondContact O-N 3.23Å; I462-N466 VanDerWaalsContact O-CB 3.3Å; I462-N466 WeakPolarHBondContact O-CB 3.41Å; I462-N466 PolarHBondContact O-N 3.27Å |
| 463 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M459 A460 I461 N466 V467 | M459-G463 PolarHBondContact O-N 3.06Å; A460-G463 PolarHBondContact O-N 3.4Å; I461-G463 VanDerWaalsContact C-N 3.27Å; I461-G463 PolarHBondContact O-N 2.74Å; G463-N466 WeakPolarHBondContact O-CB 3.38Å; G463-N466 PolarHBondContact O-N 3.01Å; G463-V467 PolarHBondContact O-N 2.94Å |
| 464 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S21 A460 I461 V467 A468 | S21-G464 WeakPolarHBondContact OG-CA 3.49Å; A460-G464 PolarHBondContact O-N 3.45Å; I461-G464 PolarHBondContact O-N 3.37Å; I461-G464 VanDerWaalsContact O-N 3.14Å; G464-V467 WeakPolarHBondContact O-CG2 3.41Å; G464-A468 PolarHBondContact O-N 3.4Å |
| 465 | R | 98.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 12.1 Ų | 12.1 | 11% | 0.106 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.5 | -41.1 | 173 | -167.7 | 170.3 | 175.1 | 164.8 | -5.4 | 111.7 | F24 Y71 Q148 I461 I462 V467 A468 L469 | F24-R465 HydrophobicContact CD1-CG 4.11Å; F24-R465 HydrophobicContact CD2-CB 3.49Å; F24-R465 VanDerWaalsContact CD2-CB 3.49Å; F24-R465 HydrophobicContact CD2-CG 3.82Å; F24-R465 HydrophobicContact CE1-CG 4.23Å; F24-R465 HydrophobicContact CE2-CB 3.5Å; F24-R465 HydrophobicContact CE2-CG 3.95Å; F24-R465 HydrophobicContact CG-CB 4.1Å; F24-R465 HydrophobicContact CG-CG 3.91Å; F24-R465 HydrophobicContact CZ-CB 4.12Å; F24-R465 HydrophobicContact CZ-CG 4.15Å; Y71-R465 WeakPolarHBondContact OH-CD 3.47Å; Y71-R465 PolarHBondContact OH-NH1 3.04Å; Q148-R465 HydrophobicContact CB-CG 4.45Å; Q148-R465 PolarHBondContact O-NH2 3.38Å; I461-R465 PolarHBondContact O-N 2.86Å; I462-R465 PolarHBondContact O-N 3.23Å; R465-V467 VanDerWaalsContact C-N 3.35Å; R465-V467 PolarHBondContact O-N 3.08Å; R465-A468 PolarHBondContact O-N 2.94Å; R465-L469 HydrophobicContact CG-CD1 4.22Å; R465-L469 HydrophobicContact CG-CG 4.44Å; R465-L469 WeakPolarHBondContact O-CG 3.41Å; R465-L469 PolarHBondContact O-N 3.42Å |
| 466 | N | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 179.9 | -174.4 | 67.6 | 0 | 0 | 0 | 111.6 | C153 F154 F438 I462 G463 L469 L470 | C153-N466 WeakPolarHBondContact CA-OD1 3.29Å; F154-N466 PolarHBondContact N-OD1 2.86Å; F154-N466 PolarHBondContact O-ND2 3.46Å; F438-N466 WeakPolarHBondContact CD2-ND2 3.47Å; F438-N466 WeakPolarHBondContact CE2-ND2 3.49Å; F438-N466 VanDerWaalsContact CG-ND2 3.33Å; F438-N466 WeakPolarHBondContact CG-ND2 3.16Å; I462-N466 VanDerWaalsContact O-CB 3.3Å; I462-N466 WeakPolarHBondContact O-CB 3.41Å; I462-N466 PolarHBondContact O-N 3.27Å; G463-N466 WeakPolarHBondContact O-CB 3.38Å; G463-N466 PolarHBondContact O-N 3.01Å; N466-L469 PolarHBondContact O-N 3.06Å; N466-L470 WeakPolarHBondContact O-CG 3.27Å; N466-L470 PolarHBondContact O-N 2.75Å |
| 467 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.5 | -35.2 | 177.7 | -61.8 | 0 | 0 | 0 | 0 | 113.1 | S21 I293 F438 Y445 P447 G463 G464 R465 L469 L470 I471 | S21-V467 WeakPolarHBondContact OG-CG2 3.42Å; I293-V467 HydrophobicContact CD1-CG2 4.15Å; I293-V467 HydrophobicContact CG2-CG2 4.25Å; F438-V467 HydrophobicContact CB-CG1 4.29Å; F438-V467 HydrophobicContact CD1-CG1 4.27Å; Y445-V467 HydrophobicContact CG-CB 4.49Å; P447-V467 HydrophobicContact CB-CG1 3.96Å; P447-V467 HydrophobicContact CB-CG2 3.89Å; P447-V467 HydrophobicContact CG-CG2 4.23Å; G463-V467 PolarHBondContact O-N 2.94Å; G464-V467 WeakPolarHBondContact O-CG2 3.41Å; R465-V467 VanDerWaalsContact C-N 3.35Å; R465-V467 PolarHBondContact O-N 3.08Å; V467-L469 VanDerWaalsContact C-N 3.31Å; V467-L469 PolarHBondContact O-N 2.83Å; V467-L470 PolarHBondContact O-N 3.45Å; V467-I471 WeakPolarHBondContact O-CG1 3.48Å; V467-I471 PolarHBondContact O-N 2.98Å |
| 468 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F24 L25 I28 G464 R465 A472 | F24-A468 HydrophobicContact CB-CB 3.7Å; L25-A468 HydrophobicContact CD2-CB 4.1Å; L25-A468 HydrophobicContact CG-CB 4.09Å; I28-A468 HydrophobicContact CD1-CB 4.03Å; G464-A468 PolarHBondContact O-N 3.4Å; R465-A468 PolarHBondContact O-N 2.94Å; A468-A472 PolarHBondContact O-N 2.85Å; A468-A472 VanDerWaalsContact O-N 3.09Å |
| 469 | L | 98.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 9% | 0.089 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.5 | -38.5 | 174.7 | -67.5 | 173.6 | 0 | 0 | 0 | 112.6 | I28 Q148 E152 C153 R465 N466 V467 I471 A472 N473 | I28-L469 HydrophobicContact CD1-CD2 3.97Å; Q148-L469 HydrophobicContact CB-CD1 4.05Å; Q148-L469 HydrophobicContact CG-CD1 4.21Å; E152-L469 WeakPolarHBondContact O-CD1 3.39Å; C153-L469 HydrophobicContact CB-CB 3.69Å; R465-L469 HydrophobicContact CG-CD1 4.22Å; R465-L469 HydrophobicContact CG-CG 4.44Å; R465-L469 WeakPolarHBondContact O-CG 3.41Å; R465-L469 PolarHBondContact O-N 3.42Å; N466-L469 PolarHBondContact O-N 3.06Å; V467-L469 VanDerWaalsContact C-N 3.31Å; V467-L469 PolarHBondContact O-N 2.83Å; L469-I471 VanDerWaalsContact C-N 3.34Å; L469-I471 PolarHBondContact O-N 3.13Å; L469-A472 WeakPolarHBondContact O-CB 3.48Å; L469-A472 PolarHBondContact O-N 3.38Å; L469-N473 WeakPolarHBondContact O-CB 3.35Å; L469-N473 PolarHBondContact O-N 2.85Å |
| 470 | L | 98.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 173.7 | -75.5 | 170.1 | 0 | 0 | 0 | 111.5 | C153 F154 F438 Y445 N466 V467 A472 N473 E474 | C153-L470 HydrophobicContact CB-CD2 4.01Å; C153-L470 HydrophobicContact CB-CG 4.07Å; F154-L470 WeakPolarHBondContact O-CD1 3.48Å; F438-L470 HydrophobicContact CB-CD1 3.71Å; Y445-L470 HydrophobicContact CD1-CB 4.08Å; Y445-L470 HydrophobicContact CD1-CD1 3.86Å; Y445-L470 HydrophobicContact CE1-CB 3.51Å; Y445-L470 HydrophobicContact CE1-CD1 3.82Å; Y445-L470 HydrophobicContact CE1-CG 4.24Å; N466-L470 WeakPolarHBondContact O-CG 3.27Å; N466-L470 PolarHBondContact O-N 2.75Å; V467-L470 PolarHBondContact O-N 3.45Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.21Å; L470-N473 PolarHBondContact O-N 2.82Å; L470-E474 WeakPolarHBondContact O-CB 3.3Å; L470-E474 PolarHBondContact O-N 3.14Å |
| 471 | I | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.5 | -68.5 | 166.2 | 0 | 0 | 0 | 110.6 | F7 L25 F29 Y291 I293 Y445 V467 L469 N473 E474 M475 | F7-I471 HydrophobicContact CE2-CG2 4.38Å; L25-I471 HydrophobicContact CD2-CB 4.35Å; L25-I471 HydrophobicContact CD2-CD1 4.03Å; L25-I471 HydrophobicContact CD2-CG2 4.23Å; F29-I471 HydrophobicContact CE2-CG2 4.21Å; F29-I471 HydrophobicContact CZ-CG2 4.18Å; Y291-I471 HydrophobicContact CD1-CD1 4.45Å; Y291-I471 HydrophobicContact CD1-CG1 3.99Å; Y291-I471 HydrophobicContact CD1-CG2 4.16Å; Y291-I471 HydrophobicContact CD2-CG2 4.38Å; Y291-I471 HydrophobicContact CE1-CG1 4.42Å; Y291-I471 HydrophobicContact CE1-CG2 4.1Å; Y291-I471 HydrophobicContact CE2-CG2 4.37Å; Y291-I471 HydrophobicContact CG-CG1 4.48Å; Y291-I471 HydrophobicContact CG-CG2 4.29Å; I293-I471 HydrophobicContact CD1-CD1 3.77Å; I293-I471 HydrophobicContact CG1-CD1 4.04Å; Y445-I471 HydrophobicContact CD2-CD1 3.92Å; Y445-I471 HydrophobicContact CD2-CG1 3.6Å; Y445-I471 HydrophobicContact CE2-CD1 4.24Å; Y445-I471 HydrophobicContact CE2-CG1 3.42Å; Y445-I471 VanDerWaalsContact CE2-CG1 3.42Å; Y445-I471 HydrophobicContact CG-CG1 4.37Å; V467-I471 WeakPolarHBondContact O-CG1 3.48Å; V467-I471 PolarHBondContact O-N 2.98Å; L469-I471 VanDerWaalsContact C-N 3.34Å; L469-I471 PolarHBondContact O-N 3.13Å; I471-N473 VanDerWaalsContact C-N 3.33Å; I471-N473 PolarHBondContact O-N 3.03Å; I471-E474 PolarHBondContact O-N 3.21Å; I471-M475 WeakPolarHBondContact O-CB 3.47Å; I471-M475 WeakPolarHBondContact O-CG 3.48Å; I471-M475 PolarHBondContact O-N 3.48Å |
| 472 | A | 96.7 | Very high | 91.1 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I28 F29 A468 L469 L470 K476 | I28-A472 HydrophobicContact CG2-CB 3.99Å; F29-A472 HydrophobicContact CE2-CB 4.4Å; F29-A472 HydrophobicContact CZ-CB 3.86Å; A468-A472 PolarHBondContact O-N 2.85Å; A468-A472 VanDerWaalsContact O-N 3.09Å; L469-A472 WeakPolarHBondContact O-CB 3.48Å; L469-A472 PolarHBondContact O-N 3.38Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.21Å; A472-K476 PolarHBondContact O-N 3.26Å |
| 473 | N | 95.1 | Very high | 89.9 | Confident | 62 Ų | 62 | 47.6 Ų | 47.6 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.9 | -45.3 | 177.8 | -166.3 | 52.1 | 0 | 0 | 0 | 111.9 | L469 L470 I471 M475 K476 H477 | L469-N473 WeakPolarHBondContact O-CB 3.35Å; L469-N473 PolarHBondContact O-N 2.85Å; L470-N473 PolarHBondContact O-N 2.82Å; I471-N473 VanDerWaalsContact C-N 3.33Å; I471-N473 PolarHBondContact O-N 3.03Å; N473-M475 VanDerWaalsContact C-N 3.33Å; N473-M475 PolarHBondContact O-N 3.23Å; N473-K476 WeakPolarHBondContact O-CB 3.26Å; N473-K476 PolarHBondContact O-N 3.14Å; N473-K476 VanDerWaalsContact O-N 3.1Å; N473-H477 PolarHBondContact ND2-CD2 2.72Å; N473-H477 PolarHBondContact ND2-NE2 2.92Å; N473-H477 PolarHBondContact O-CD2 3.38Å; N473-H477 PolarHBondContact O-N 3.24Å; N473-H477 PolarHBondContact OD1-NE2 3.03Å |
| 474 | E | 93.5 | Very high | 88.7 | Confident | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 175.5 | -175.3 | 164.6 | -127 | 0 | 0 | 111.4 | Y291 K439 Y445 L470 I471 K476 H477 L478 | Y291-E474 WeakPolarHBondContact CE1-OE2 3.36Å; K439-E474 IonicContact NZ-OE1 3.73Å; K439-E474 PolarHBondContact NZ-OE1 2.91Å; Y445-E474 VanDerWaalsContact OH-CD 3.27Å; Y445-E474 PolarHBondContact OH-OE2 2.83Å; L470-E474 WeakPolarHBondContact O-CB 3.3Å; L470-E474 PolarHBondContact O-N 3.14Å; I471-E474 PolarHBondContact O-N 3.21Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 3.05Å; E474-H477 PolarHBondContact O-N 3.3Å; E474-L478 HydrophobicContact CG-CD1 4.26Å; E474-L478 VanDerWaalsContact O-CG 3.31Å; E474-L478 WeakPolarHBondContact O-CG 3.49Å; E474-L478 PolarHBondContact O-N 3.13Å |
| 475 | M | 91.6 | Very high | 87.3 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.6 | -30.5 | 175.1 | -77.1 | -161.5 | 154 | 0 | 0 | 114.3 | M1 F7 F29 Y291 I471 N473 R479 | M1-M475 HydrophobicContact CE-CE 4.16Å; M1-M475 HydrophobicContact SD-CE 3.61Å; F7-M475 HydrophobicContact CB-CE 3.81Å; F7-M475 HydrophobicContact CD1-CE 3.32Å; F7-M475 HydrophobicContact CD1-SD 4.01Å; F7-M475 HydrophobicContact CD2-CE 3.37Å; F7-M475 HydrophobicContact CE1-CE 3.58Å; F7-M475 HydrophobicContact CE1-SD 3.71Å; F7-M475 HydrophobicContact CE2-CE 3.59Å; F7-M475 HydrophobicContact CE2-SD 4.23Å; F7-M475 HydrophobicContact CG-CE 3.21Å; F7-M475 HydrophobicContact CG-SD 4.42Å; F7-M475 HydrophobicContact CZ-CE 3.7Å; F7-M475 HydrophobicContact CZ-SD 3.81Å; F29-M475 HydrophobicContact CE1-SD 3.65Å; F29-M475 HydrophobicContact CZ-SD 3.88Å; Y291-M475 HydrophobicContact CD2-CE 4.33Å; Y291-M475 HydrophobicContact CE2-CE 3.38Å; Y291-M475 HydrophobicContact CE2-CG 4.43Å; Y291-M475 VanDerWaalsContact OH-CG 3.3Å; Y291-M475 WeakPolarHBondContact OH-CG 3.23Å; I471-M475 WeakPolarHBondContact O-CB 3.47Å; I471-M475 WeakPolarHBondContact O-CG 3.48Å; I471-M475 PolarHBondContact O-N 3.48Å; N473-M475 VanDerWaalsContact C-N 3.33Å; N473-M475 PolarHBondContact O-N 3.23Å; M475-R479 WeakPolarHBondContact O-CG 3.32Å; M475-R479 PolarHBondContact O-N 3.31Å; M475-R479 PolarHBondContact O-NE 3.08Å |
| 476 | K | 89.5 | Confident | 86.2 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69 | -48.8 | 174.3 | -175.1 | -178.1 | 170.5 | -172 | 0 | 110.2 | A472 N473 E474 L478 R479 E480 | A472-K476 PolarHBondContact O-N 3.26Å; N473-K476 WeakPolarHBondContact O-CB 3.26Å; N473-K476 PolarHBondContact O-N 3.14Å; N473-K476 VanDerWaalsContact O-N 3.1Å; E474-K476 VanDerWaalsContact C-N 3.32Å; E474-K476 PolarHBondContact O-N 3.05Å; K476-L478 PolarHBondContact O-N 3.32Å; K476-R479 PolarHBondContact O-N 2.6Å; K476-R479 VanDerWaalsContact O-N 3.15Å; K476-E480 WeakPolarHBondContact CE-OE1 3.09Å; K476-E480 WeakPolarHBondContact O-CG 3.26Å; K476-E480 PolarHBondContact O-N 3.07Å |
| 477 | H | 83.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.4 | -69.6 | -51.2 | 0 | 0 | 0 | 112.4 | N473 E474 R479 E480 D481 | N473-H477 PolarHBondContact ND2-CD2 2.72Å; N473-H477 PolarHBondContact ND2-NE2 2.92Å; N473-H477 PolarHBondContact O-CD2 3.38Å; N473-H477 PolarHBondContact O-N 3.24Å; N473-H477 PolarHBondContact OD1-NE2 3.03Å; E474-H477 PolarHBondContact O-N 3.3Å; H477-R479 VanDerWaalsContact C-N 3.25Å; H477-R479 PolarHBondContact O-N 3.32Å; H477-E480 IonicContact ND1-OE2 2.98Å; H477-E480 PolarHBondContact O-N 3.09Å; H477-E480 VanDerWaalsContact O-N 3.1Å; H477-D481 WeakPolarHBondContact O-CB 3.47Å; H477-D481 PolarHBondContact O-N 3.29Å |
| 478 | L | 79.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -36.1 | 176.1 | -72.2 | 172.2 | 0 | 0 | 0 | 112.8 | E474 K476 Q482 | E474-L478 HydrophobicContact CG-CD1 4.26Å; E474-L478 VanDerWaalsContact O-CG 3.31Å; E474-L478 WeakPolarHBondContact O-CG 3.49Å; E474-L478 PolarHBondContact O-N 3.13Å; K476-L478 PolarHBondContact O-N 3.32Å; L478-Q482 WeakPolarHBondContact O-CB 3.41Å; L478-Q482 WeakPolarHBondContact O-CG 3.41Å; L478-Q482 PolarHBondContact O-N 3.29Å |
| 479 | R | 77.5 | Confident | 82.9 | Confident | 117 Ų | 117 | 76.7 Ų | 76.7 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.1 | -38.1 | 176.1 | -74.7 | 178.8 | -69.3 | -179.1 | 0.8 | 112.3 | M475 K476 H477 K483 | M475-R479 WeakPolarHBondContact O-CG 3.32Å; M475-R479 PolarHBondContact O-N 3.31Å; M475-R479 PolarHBondContact O-NE 3.08Å; K476-R479 PolarHBondContact O-N 2.6Å; K476-R479 VanDerWaalsContact O-N 3.15Å; H477-R479 VanDerWaalsContact C-N 3.25Å; H477-R479 PolarHBondContact O-N 3.32Å; R479-K483 WeakPolarHBondContact O-CB 3.15Å; R479-K483 VanDerWaalsContact O-CG 3.3Å; R479-K483 WeakPolarHBondContact O-CG 3.21Å; R479-K483 PolarHBondContact O-N 3.31Å |
| 480 | E | 77.6 | Confident | 82 | Confident | 91 Ų | 91 | 78 Ų | 78 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 176.2 | -72.1 | 172.3 | 172.7 | 0 | 0 | 111.2 | K476 H477 K483 S484 | K476-E480 WeakPolarHBondContact CE-OE1 3.09Å; K476-E480 WeakPolarHBondContact O-CG 3.26Å; K476-E480 PolarHBondContact O-N 3.07Å; H477-E480 IonicContact ND1-OE2 2.98Å; H477-E480 PolarHBondContact O-N 3.09Å; H477-E480 VanDerWaalsContact O-N 3.1Å; E480-K483 PolarHBondContact O-N 3.02Å; E480-S484 WeakPolarHBondContact O-CB 3.3Å; E480-S484 PolarHBondContact O-N 3.1Å |
| 481 | D | 72.1 | Confident | 81.1 | Confident | 99 Ų | 99 | 81.1 Ų | 81.1 | 53% | 0.529 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.9 | -72.1 | -21.4 | 0 | 0 | 0 | 111.7 | H477 S484 M485 | H477-D481 WeakPolarHBondContact O-CB 3.47Å; H477-D481 PolarHBondContact O-N 3.29Å; D481-S484 PolarHBondContact O-N 3.06Å; D481-M485 WeakPolarHBondContact O-CB 3.32Å; D481-M485 WeakPolarHBondContact O-CG 3.5Å; D481-M485 PolarHBondContact O-N 2.92Å |
| 482 | Q | 71.3 | Confident | 80.2 | Confident | 116 Ų | 116 | 86.7 Ų | 86.7 | 54% | 0.542 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.4 | -79.3 | 179.2 | -23.7 | 0 | 0 | 112.3 | L478 M485 F486 | L478-Q482 WeakPolarHBondContact O-CB 3.41Å; L478-Q482 WeakPolarHBondContact O-CG 3.41Å; L478-Q482 PolarHBondContact O-N 3.29Å; Q482-M485 PolarHBondContact O-N 2.7Å; Q482-F486 VanDerWaalsContact O-CB 3.31Å; Q482-F486 WeakPolarHBondContact O-CB 3.45Å; Q482-F486 PolarHBondContact O-N 3.07Å |
| 483 | K | 73.3 | Confident | 79.4 | Confident | 151 Ų | 151 | 90.9 Ų | 90.9 | 66% | 0.657 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 175.5 | -75.3 | 178.2 | -179.5 | -173.4 | 0 | 111.9 | R479 E480 T487 | R479-K483 WeakPolarHBondContact O-CB 3.15Å; R479-K483 VanDerWaalsContact O-CG 3.3Å; R479-K483 WeakPolarHBondContact O-CG 3.21Å; R479-K483 PolarHBondContact O-N 3.31Å; E480-K483 PolarHBondContact O-N 3.02Å; K483-T487 WeakPolarHBondContact O-CB 3.2Å; K483-T487 PolarHBondContact O-N 2.86Å; K483-T487 PolarHBondContact O-OG1 3.48Å |
| 484 | S | 72.7 | Confident | 78.6 | Confident | 50 Ų | 50 | 94.2 Ų | 94.2 | 35% | 0.35 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | E480 D481 T487 R488 | E480-S484 WeakPolarHBondContact O-CB 3.3Å; E480-S484 PolarHBondContact O-N 3.1Å; D481-S484 PolarHBondContact O-N 3.06Å; S484-T487 PolarHBondContact O-N 2.82Å; S484-R488 WeakPolarHBondContact O-CG 3.46Å; S484-R488 PolarHBondContact O-N 3.48Å |
| 485 | M | 70.6 | Confident | 77.8 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.8 | -79.6 | -67.2 | -64 | 0 | 0 | 112.3 | D481 Q482 T487 R488 L489 | D481-M485 WeakPolarHBondContact O-CB 3.32Å; D481-M485 WeakPolarHBondContact O-CG 3.5Å; D481-M485 PolarHBondContact O-N 2.92Å; Q482-M485 PolarHBondContact O-N 2.7Å; M485-T487 VanDerWaalsContact C-N 3.3Å; M485-T487 PolarHBondContact O-N 2.96Å; M485-R488 PolarHBondContact O-N 2.98Å; M485-L489 WeakPolarHBondContact O-CB 3.37Å; M485-L489 WeakPolarHBondContact O-CG 3.46Å; M485-L489 PolarHBondContact O-N 2.86Å |
| 486 | F | 74.2 | Confident | 77.1 | Confident | 146 Ų | 146 | 107.3 Ų | 107.3 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 176.9 | -172.5 | -93.1 | 0 | 0 | 0 | 111.6 | Q482 L489 T490 | Q482-F486 VanDerWaalsContact O-CB 3.31Å; Q482-F486 WeakPolarHBondContact O-CB 3.45Å; Q482-F486 PolarHBondContact O-N 3.07Å; F486-L489 PolarHBondContact O-N 3.22Å; F486-T490 VanDerWaalsContact O-CB 3.32Å; F486-T490 WeakPolarHBondContact O-CB 3.38Å; F486-T490 PolarHBondContact O-N 3.18Å; F486-T490 PolarHBondContact O-OG1 2.86Å |
| 487 | T | 77.2 | Confident | 76.4 | Confident | 75 Ų | 75 | 106.1 Ų | 106.1 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | K483 S484 M485 T490 N491 | K483-T487 WeakPolarHBondContact O-CB 3.2Å; K483-T487 PolarHBondContact O-N 2.86Å; K483-T487 PolarHBondContact O-OG1 3.48Å; S484-T487 PolarHBondContact O-N 2.82Å; M485-T487 VanDerWaalsContact C-N 3.3Å; M485-T487 PolarHBondContact O-N 2.96Å; T487-T490 PolarHBondContact O-N 2.6Å; T487-N491 WeakPolarHBondContact O-CB 3.33Å; T487-N491 PolarHBondContact O-N 3.38Å; T487-N491 PolarHBondContact O-ND2 3Å |
| 488 | R | 76.4 | Confident | 75.2 | Confident | 172 Ų | 172 | 111.4 Ų | 111.4 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 176 | -74.2 | 177.2 | -178.1 | -175.2 | 0.5 | 112.1 | S484 M485 N491 F492 | S484-R488 WeakPolarHBondContact O-CG 3.46Å; S484-R488 PolarHBondContact O-N 3.48Å; M485-R488 PolarHBondContact O-N 2.98Å; R488-N491 PolarHBondContact O-N 3Å; R488-F492 WeakPolarHBondContact O-CB 3.36Å; R488-F492 PolarHBondContact O-N 3.42Å |
| 489 | L | 74.6 | Confident | 75 | Confident | 93 Ų | 93 | 114.2 Ų | 114.2 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -45.5 | 176.4 | -80 | 159.1 | 0 | 0 | 0 | 111.6 | M485 F486 N491 F492 I493 | M485-L489 WeakPolarHBondContact O-CB 3.37Å; M485-L489 WeakPolarHBondContact O-CG 3.46Å; M485-L489 PolarHBondContact O-N 2.86Å; F486-L489 PolarHBondContact O-N 3.22Å; L489-N491 VanDerWaalsContact C-N 3.32Å; L489-N491 PolarHBondContact O-N 2.82Å; L489-F492 WeakPolarHBondContact O-CB 3.4Å; L489-F492 PolarHBondContact O-N 3.23Å; L489-I493 WeakPolarHBondContact O-CG1 3.16Å; L489-I493 PolarHBondContact O-N 2.74Å |
| 490 | T | 78.6 | Confident | 74.9 | Confident | 44 Ų | 44 | 114.1 Ų | 114.1 | 27% | 0.27 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -40.4 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | F486 T487 K494 | F486-T490 VanDerWaalsContact O-CB 3.32Å; F486-T490 WeakPolarHBondContact O-CB 3.38Å; F486-T490 PolarHBondContact O-N 3.18Å; F486-T490 PolarHBondContact O-OG1 2.86Å; T487-T490 PolarHBondContact O-N 2.6Å; T490-K494 HydrophobicContact CG2-CD 4.39Å; T490-K494 WeakPolarHBondContact O-CB 3.43Å; T490-K494 VanDerWaalsContact O-CG 3.3Å; T490-K494 WeakPolarHBondContact O-CG 3.46Å; T490-K494 PolarHBondContact O-N 3.13Å |
| 491 | N | 79.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 115.3 Ų | 115.3 | 45% | 0.449 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70 | -33.3 | 176.1 | -73.1 | -18.2 | 0 | 0 | 0 | 112.6 | T487 R488 L489 K495 | T487-N491 WeakPolarHBondContact O-CB 3.33Å; T487-N491 PolarHBondContact O-N 3.38Å; T487-N491 PolarHBondContact O-ND2 3Å; R488-N491 PolarHBondContact O-N 3Å; L489-N491 VanDerWaalsContact C-N 3.32Å; L489-N491 PolarHBondContact O-N 2.82Å; N491-K495 WeakPolarHBondContact O-CB 3.28Å; N491-K495 WeakPolarHBondContact O-CG 3.38Å; N491-K495 PolarHBondContact O-N 2.95Å; N491-K495 VanDerWaalsContact O-N 3.12Å |
| 492 | F | 79.8 | Confident | 74.9 | Confident | 116 Ų | 116 | 116.3 Ų | 116.3 | 51% | 0.509 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -50 | 174.2 | -175.2 | -93.2 | 0 | 0 | 0 | 110.9 | R488 L489 K494 K495 E496 | R488-F492 WeakPolarHBondContact O-CB 3.36Å; R488-F492 PolarHBondContact O-N 3.42Å; L489-F492 WeakPolarHBondContact O-CB 3.4Å; L489-F492 PolarHBondContact O-N 3.23Å; F492-K494 VanDerWaalsContact C-N 3.33Å; F492-K494 PolarHBondContact O-N 3.16Å; F492-K495 WeakPolarHBondContact O-CB 3.43Å; F492-K495 PolarHBondContact O-N 3.11Å; F492-E496 HydrophobicContact CD1-CG 4.48Å; F492-E496 HydrophobicContact CE1-CG 4.04Å; F492-E496 VanDerWaalsContact CE1-OE1 3.26Å; F492-E496 WeakPolarHBondContact CE1-OE1 3.37Å; F492-E496 WeakPolarHBondContact CE1-OE2 3.33Å; F492-E496 HydrophobicContact CZ-CG 4.24Å; F492-E496 WeakPolarHBondContact CZ-OE1 3.24Å; F492-E496 PolarHBondContact O-N 2.93Å |
| 493 | I | 79.3 | Confident | 75.1 | Confident | 108 Ų | 108 | 116.3 Ų | 116.3 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.6 | -41.1 | 177.1 | -65.2 | 165.6 | 0 | 0 | 0 | 111.2 | L489 K495 E496 A497 | L489-I493 WeakPolarHBondContact O-CG1 3.16Å; L489-I493 PolarHBondContact O-N 2.74Å; I493-K495 VanDerWaalsContact C-N 3.27Å; I493-K495 PolarHBondContact O-N 3.44Å; I493-E496 PolarHBondContact O-N 3.21Å; I493-A497 WeakPolarHBondContact O-CB 3.38Å; I493-A497 PolarHBondContact O-N 3.42Å |
| 494 | K | 78.8 | Confident | 75.2 | Confident | 133 Ų | 133 | 114 Ų | 114 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.6 | -26.4 | 174.9 | -77.1 | 179 | 178.8 | -177.7 | 0 | 113.8 | T490 F492 N498 | T490-K494 HydrophobicContact CG2-CD 4.39Å; T490-K494 WeakPolarHBondContact O-CB 3.43Å; T490-K494 VanDerWaalsContact O-CG 3.3Å; T490-K494 WeakPolarHBondContact O-CG 3.46Å; T490-K494 PolarHBondContact O-N 3.13Å; F492-K494 VanDerWaalsContact C-N 3.33Å; F492-K494 PolarHBondContact O-N 3.16Å; K494-N498 PolarHBondContact O-ND2 3.24Å |
| 495 | K | 75.7 | Confident | 75.4 | Confident | 167 Ų | 167 | 118.6 Ų | 118.6 | 73% | 0.726 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81 | -30 | 175.6 | -82.3 | -176.5 | 176.3 | -172.1 | 0 | 112.8 | N491 F492 I493 | N491-K495 WeakPolarHBondContact O-CB 3.28Å; N491-K495 WeakPolarHBondContact O-CG 3.38Å; N491-K495 PolarHBondContact O-N 2.95Å; N491-K495 VanDerWaalsContact O-N 3.12Å; F492-K495 WeakPolarHBondContact O-CB 3.43Å; F492-K495 PolarHBondContact O-N 3.11Å; I493-K495 VanDerWaalsContact C-N 3.27Å; I493-K495 PolarHBondContact O-N 3.44Å |
| 496 | E | 76.7 | Confident | 75.8 | Confident | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -82.1 | -20.3 | 174.9 | -69.3 | -166.5 | 152.1 | 0 | 0 | 113.1 | F492 I493 | F492-E496 HydrophobicContact CD1-CG 4.48Å; F492-E496 HydrophobicContact CE1-CG 4.04Å; F492-E496 VanDerWaalsContact CE1-OE1 3.26Å; F492-E496 WeakPolarHBondContact CE1-OE1 3.37Å; F492-E496 WeakPolarHBondContact CE1-OE2 3.33Å; F492-E496 HydrophobicContact CZ-CG 4.24Å; F492-E496 WeakPolarHBondContact CZ-OE1 3.24Å; F492-E496 PolarHBondContact O-N 2.93Å; I493-E496 PolarHBondContact O-N 3.21Å |
| 497 | A | 74.1 | Confident | 75.9 | Confident | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | trans | -86 | -7.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | I493 | I493-A497 WeakPolarHBondContact O-CB 3.38Å; I493-A497 PolarHBondContact O-N 3.42Å | ||
| 498 | N | 60.1 | Low | 75.8 | Confident | 195 Ų | 195 | 121.4 Ų | 121.4 | 100% | 1.043 | 60% | 0.6 | S | S | * | * | trans | -107.8 | 0 | 171.8 | -73.9 | -25.7 | 0 | 0 | 0 | 109.2 | K494 | K494-N498 PolarHBondContact O-ND2 3.24Š|
Retrieved 498 of 498 residues in 1251.4 ms
(Link to these results)