A0A3Q0KHX5_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KHX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 557 aa.

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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
1M61.9Low90Very high130 Ų13071.3 Ų71.364%0.6436%0.359SS*.  0109.20-155.4173.9-74.100110.2E46 S328 Q333M1-E46 WeakPolarHBondContact CA-OE1 3.5Å; M1-E46 PolarHBondContact N-OE1 3Å; M1-S328 WeakPolarHBondContact CE-O 3.45Å; M1-Q333 VanDerWaalsContact CG-NE2 3.28Å
2L77.7Confident90.7Very high66 Ų6665.4 Ų65.435%0.34633%0.33SS..  trans-62.8129.4173.1-179.774.7000110.3V4 I39 T42 Q333L2-V4 HydrophobicContact CD2-CG2 4.48Å; L2-V4 PolarHBondContact O-N 2.77Å; L2-I39 HydrophobicContact CD2-CB 4.2Å; L2-I39 HydrophobicContact CD2-CG1 4.07Å; L2-I39 HydrophobicContact CD2-CG2 3.79Å; L2-T42 HydrophobicContact CB-CG2 3.98Å; L2-T42 HydrophobicContact CD2-CG2 4.11Å; L2-Q333 PolarHBondContact O-NE2 2.94Å
3D84.5Confident91.2Very high136 Ų13660.5 Ų60.573%0.72731%0.305SS*.  trans-85.7102.5178.8-159.717.1000109.5
4V94.1Very high91.6Very high3 Ų357.6 Ų57.62%0.01829%0.293CS..  trans-83.1119.5174.7172.30000107.8L2 D8 V9 I39 L43 I332 Q333 Y336L2-V4 HydrophobicContact CD2-CG2 4.48Å; L2-V4 PolarHBondContact O-N 2.77Å; V4-D8 HydrophobicContact CG1-CB 4.22Å; V4-V9 HydrophobicContact CG1-CG2 4.2Å; V4-I39 HydrophobicContact CG2-CG2 4.04Å; V4-L43 HydrophobicContact CG2-CD1 4.11Å; V4-L43 HydrophobicContact CG2-CD2 4.17Å; V4-I332 HydrophobicContact CG1-CG1 4.45Å; V4-Q333 HydrophobicContact CB-CG 3.96Å; V4-Q333 HydrophobicContact CG2-CG 3.85Å; V4-Y336 HydrophobicContact CG1-CD2 3.79Å; V4-Y336 HydrophobicContact CG1-CG 3.97Å
5T94.6Very high91.9Very high52 Ų5255.8 Ų55.832%0.31928%0.282SS..  trans-89.4169.6-177.784.30000112.2E7 D8 V9T5-E7 WeakPolarHBondContact CB-OE2 3.06Å; T5-E7 PolarHBondContact O-N 2.72Å; T5-E7 PolarHBondContact OG1-N 3.24Å; T5-E7 PolarHBondContact OG1-OE2 3.43Å; T5-D8 PolarHBondContact N-OD2 3.03Å; T5-D8 VanDerWaalsContact N-OD2 3.12Å; T5-D8 PolarHBondContact O-N 3.17Å; T5-D8 PolarHBondContact OG1-N 2.96Å; T5-V9 PolarHBondContact O-N 3.24Å
6K95.2Very high92.2Very high98 Ų9852.5 Ų52.543%0.42627%0.266SS..Hα-helixtrans-59.5-39.6171.9-68-161.5170-159.60111.2D8 V9 V10 I332 E427 F428K6-D8 VanDerWaalsContact C-N 3.32Å; K6-D8 PolarHBondContact O-N 3.41Å; K6-V9 PolarHBondContact O-N 2.74Å; K6-V10 WeakPolarHBondContact O-CG2 3.35Å; K6-V10 PolarHBondContact O-N 2.88Å; K6-I332 HydrophobicContact CG-CD1 4.08Å; K6-E427 IonicContact NZ-OE1 2.8Å; K6-E427 PolarHBondContact NZ-OE1 3.45Å; K6-E427 IonicContact NZ-OE2 3.92Å; K6-F428 HydrophobicContact CB-CE1 3.89Å; K6-F428 HydrophobicContact CB-CZ 4.06Å; K6-F428 HydrophobicContact CD-CE1 4.13Å; K6-F428 HydrophobicContact CD-CZ 4.2Å; K6-F428 HydrophobicContact CG-CE1 4.09Å; K6-F428 HydrophobicContact CG-CZ 3.9Å
7E94.9Very high92.5Very high134 Ų13450.2 Ų50.263%0.62625%0.254SS*.Hα-helixtrans-61.9-38.7179.1-62.870.9-156.100111.7T5 V9 V10 E11T5-E7 WeakPolarHBondContact CB-OE2 3.06Å; T5-E7 PolarHBondContact O-N 2.72Å; T5-E7 PolarHBondContact OG1-N 3.24Å; T5-E7 PolarHBondContact OG1-OE2 3.43Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.34Å; E7-V10 PolarHBondContact O-N 2.92Å; E7-E11 VanDerWaalsContact O-CB 3.32Å; E7-E11 WeakPolarHBondContact O-CB 3.45Å; E7-E11 PolarHBondContact O-N 3.11Å
8D96.8Very high92.6Very high25 Ų2552.1 Ų52.113%0.13427%0.265CS..Hα-helixtrans-62.5-40.9176.8-70.8-48.8000111.8V4 T5 K6 L12 K35 Y336V4-D8 HydrophobicContact CG1-CB 4.22Å; T5-D8 PolarHBondContact N-OD2 3.03Å; T5-D8 VanDerWaalsContact N-OD2 3.12Å; T5-D8 PolarHBondContact O-N 3.17Å; T5-D8 PolarHBondContact OG1-N 2.96Å; K6-D8 VanDerWaalsContact C-N 3.32Å; K6-D8 PolarHBondContact O-N 3.41Å; D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.91Å; D8-K35 IonicContact OD1-NZ 3.48Å; D8-K35 PolarHBondContact OD1-NZ 3.4Å; D8-Y336 HydrophobicContact CB-CD2 4.17Å; D8-Y336 HydrophobicContact CB-CE2 3.83Å; D8-Y336 WeakPolarHBondContact O-CE2 3.5Å
9V97.7Very high92.8Very high1 Ų150.2 Ų50.21%0.00626%0.258CS..Hα-helixtrans-67.6-42.2177.2-179.70000111.2V4 T5 K6 E7 L12 L13 I332 L335 Y336 L339 F428V4-V9 HydrophobicContact CG1-CG2 4.2Å; T5-V9 PolarHBondContact O-N 3.24Å; K6-V9 PolarHBondContact O-N 2.74Å; E7-V9 VanDerWaalsContact C-N 3.34Å; E7-V9 PolarHBondContact O-N 3.34Å; V9-L12 PolarHBondContact O-N 3.38Å; V9-L13 WeakPolarHBondContact O-CB 3.26Å; V9-L13 PolarHBondContact O-N 3.49Å; V9-I332 HydrophobicContact CG2-CD1 4.24Å; V9-I332 HydrophobicContact CG2-CG1 3.78Å; V9-L335 HydrophobicContact CG1-CD2 3.89Å; V9-L335 HydrophobicContact CG1-CG 4.25Å; V9-Y336 HydrophobicContact CG2-CD2 4.11Å; V9-L339 HydrophobicContact CG1-CD1 4.25Å; V9-F428 HydrophobicContact CB-CD2 4.2Å; V9-F428 HydrophobicContact CB-CE2 4.14Å; V9-F428 HydrophobicContact CB-CZ 4.49Å; V9-F428 HydrophobicContact CG1-CB 4.44Å; V9-F428 HydrophobicContact CG1-CD2 3.48Å; V9-F428 VanDerWaalsContact CG1-CD2 3.48Å; V9-F428 HydrophobicContact CG1-CE2 3.85Å; V9-F428 HydrophobicContact CG1-CG 3.99Å; V9-F428 HydrophobicContact CG2-CE2 4.47Å
10V96.4Very high92.9Very high41 Ų4148.9 Ų48.925%0.24825%0.251CS..Hα-helixtrans-64.6-43.6177.3172.60000111.2K6 E7 L13 S14 F428K6-V10 WeakPolarHBondContact O-CG2 3.35Å; K6-V10 PolarHBondContact O-N 2.88Å; E7-V10 PolarHBondContact O-N 2.92Å; V10-L13 PolarHBondContact O-N 2.62Å; V10-S14 WeakPolarHBondContact O-CB 2.92Å; V10-S14 PolarHBondContact O-N 3.26Å; V10-F428 HydrophobicContact CG2-CD1 3.55Å; V10-F428 HydrophobicContact CG2-CE1 4.1Å; V10-F428 HydrophobicContact CG2-CG 4.34Å
11E96.2Very high93.1Very high98 Ų9846.6 Ų46.646%0.45824%0.24SC..Hα-helixtrans-59.8-48.7176.5-175.3-178.7-16700110.8E7 S14 F15 K35E7-E11 VanDerWaalsContact O-CB 3.32Å; E7-E11 WeakPolarHBondContact O-CB 3.45Å; E7-E11 PolarHBondContact O-N 3.11Å; E11-S14 PolarHBondContact O-N 2.63Å; E11-F15 WeakPolarHBondContact O-CB 3.45Å; E11-F15 PolarHBondContact O-N 3.08Å; E11-K35 IonicContact OE2-NZ 3.17Å; E11-K35 PolarHBondContact OE2-NZ 2.96Å
12L98Very high94.6Very high1 Ų141.6 Ų41.61%0.00522%0.216CC..Hα-helixtrans-58.8-50176.3172.260.5000111.6D8 V9 S14 F15 M16 I36 Y336 L339 F344D8-L12 WeakPolarHBondContact O-CB 3.39Å; D8-L12 PolarHBondContact O-N 2.91Å; V9-L12 PolarHBondContact O-N 3.38Å; L12-S14 PolarHBondContact O-N 3.33Å; L12-F15 PolarHBondContact O-N 3.25Å; L12-M16 HydrophobicContact CD1-CG 4.07Å; L12-M16 HydrophobicContact CD1-SD 4.05Å; L12-M16 HydrophobicContact CG-CG 4.47Å; L12-M16 HydrophobicContact CG-SD 4.01Å; L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.43Å; L12-M16 PolarHBondContact O-N 3.23Å; L12-I36 HydrophobicContact CD1-CD1 3.88Å; L12-I36 HydrophobicContact CD1-CG1 4.22Å; L12-I36 HydrophobicContact CD1-CG2 3.87Å; L12-Y336 HydrophobicContact CB-CE2 4.07Å; L12-Y336 HydrophobicContact CD2-CD1 4.38Å; L12-Y336 HydrophobicContact CD2-CD2 3.99Å; L12-Y336 HydrophobicContact CD2-CE1 4.28Å; L12-Y336 HydrophobicContact CD2-CE2 3.89Å; L12-Y336 HydrophobicContact CD2-CG 4.23Å; L12-L339 HydrophobicContact CD2-CB 3.83Å; L12-F344 HydrophobicContact CD1-CD1 3.99Å; L12-F344 HydrophobicContact CD1-CG 4.41Å
13L97.4Very high95.3Very high1 Ų140 Ų401%0.00521%0.207CC..Hα-helixtrans-65.5-41.4-177.2-175.560.9000112.1V9 V10 F15 M16 L17 F428 W429 E432V9-L13 WeakPolarHBondContact O-CB 3.26Å; V9-L13 PolarHBondContact O-N 3.49Å; V10-L13 PolarHBondContact O-N 2.62Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.18Å; L13-M16 PolarHBondContact O-N 3.22Å; L13-L17 HydrophobicContact CD1-CD1 4.43Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.26Å; L13-F428 HydrophobicContact CD2-CB 4.21Å; L13-W429 HydrophobicContact CD1-CE3 3.97Å; L13-W429 HydrophobicContact CD1-CZ3 4.13Å; L13-W429 HydrophobicContact CD2-CB 4.38Å; L13-W429 HydrophobicContact CD2-CE3 4.29Å; L13-E432 HydrophobicContact CD2-CB 4.28Å; L13-E432 HydrophobicContact CG-CG 4.47Å
14S96.6Very high95.7Very high20 Ų2035.5 Ų35.514%0.1418%0.181CC..Hα-helixtrans-58.4-46.4173.1-175.90000110.4V10 E11 L12 M16 L17 D18 E432 R435 R436V10-S14 WeakPolarHBondContact O-CB 2.92Å; V10-S14 PolarHBondContact O-N 3.26Å; E11-S14 PolarHBondContact O-N 2.63Å; L12-S14 PolarHBondContact O-N 3.33Å; S14-M16 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 2.93Å; S14-L17 VanDerWaalsContact O-N 3.16Å; S14-D18 WeakPolarHBondContact O-CB 3.45Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 3.27Å; S14-D18 PolarHBondContact OG-OD2 2.72Å; S14-E432 WeakPolarHBondContact CB-OE1 3.1Å; S14-E432 PolarHBondContact OG-OE1 3.39Å; S14-R435 PolarHBondContact OG-NH2 2.95Å; S14-R435 VanDerWaalsContact OG-NH2 3.13Å; S14-R436 PolarHBondContact O-NH2 2.91Å; S14-R436 PolarHBondContact OG-NH2 3.13Å
15F96.2Very high95.7Very high31 Ų3136.2 Ų36.214%0.13618%0.184CC..Hα-helixtrans-63.8-40.6-179.2-165.2-125.2000112.5E11 L12 L13 L17 D18 A19 L25 Y29 I33 I36 F344E11-F15 WeakPolarHBondContact O-CB 3.45Å; E11-F15 PolarHBondContact O-N 3.08Å; L12-F15 PolarHBondContact O-N 3.25Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.18Å; F15-L17 VanDerWaalsContact C-N 3.3Å; F15-L17 PolarHBondContact O-N 3.48Å; F15-D18 PolarHBondContact O-N 2.95Å; F15-A19 PolarHBondContact O-N 3.34Å; F15-L25 HydrophobicContact CE1-CD2 4.12Å; F15-L25 HydrophobicContact CZ-CD1 4.35Å; F15-L25 HydrophobicContact CZ-CD2 4.04Å; F15-L25 HydrophobicContact CZ-CG 4.19Å; F15-Y29 HydrophobicContact CE2-CD1 4.43Å; F15-Y29 HydrophobicContact CE2-CD2 4.22Å; F15-Y29 HydrophobicContact CE2-CG 4.11Å; F15-Y29 HydrophobicContact CZ-CD2 4.07Å; F15-Y29 AromaticContact CZ-CG 3.95Å; F15-Y29 HydrophobicContact CZ-CG 3.95Å; F15-I33 HydrophobicContact CE1-CD1 3.63Å; F15-I33 HydrophobicContact CE1-CG1 4.3Å; F15-I33 HydrophobicContact CZ-CD1 4.39Å; F15-I36 HydrophobicContact CD1-CD1 3.93Å; F15-I36 HydrophobicContact CE1-CD1 4.4Å; F15-F344 AromaticContact CD1-CE1 3.83Å; F15-F344 HydrophobicContact CD1-CE1 3.83Å; F15-F344 HydrophobicContact CD1-CE2 4.33Å; F15-F344 AromaticContact CD1-CZ 3.43Å; F15-F344 HydrophobicContact CD1-CZ 3.43Å; F15-F344 VanDerWaalsContact CD1-CZ 3.43Å; F15-F344 HydrophobicContact CE1-CE1 4.02Å; F15-F344 AromaticContact CE1-CZ 3.54Å; F15-F344 HydrophobicContact CE1-CZ 3.54Å
16M97.5Very high95.7Very high3 Ų333.9 Ų33.92%0.01517%0.17CC..Hα-helixtrans-61.5-35.9173.8-68.9174.269.800112.9L12 L13 S14 L339 W343 F344 L350 L361L12-M16 HydrophobicContact CD1-CG 4.07Å; L12-M16 HydrophobicContact CD1-SD 4.05Å; L12-M16 HydrophobicContact CG-CG 4.47Å; L12-M16 HydrophobicContact CG-SD 4.01Å; L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.43Å; L12-M16 PolarHBondContact O-N 3.23Å; L13-M16 PolarHBondContact O-N 3.22Å; S14-M16 PolarHBondContact O-N 3.12Å; M16-L339 HydrophobicContact CE-CD2 4.4Å; M16-L339 HydrophobicContact SD-CB 4.12Å; M16-W343 HydrophobicContact CE-CB 4.1Å; M16-F344 HydrophobicContact CB-CD2 4.27Å; M16-F344 HydrophobicContact CE-CB 3.94Å; M16-F344 HydrophobicContact CG-CB 3.76Å; M16-F344 HydrophobicContact CG-CD1 4.46Å; M16-F344 HydrophobicContact CG-CD2 3.5Å; M16-F344 HydrophobicContact CG-CE2 4.18Å; M16-F344 HydrophobicContact CG-CG 3.66Å; M16-F344 HydrophobicContact SD-CB 3.9Å; M16-F344 HydrophobicContact SD-CG 4.44Å; M16-L350 HydrophobicContact CB-CD2 3.72Å; M16-L350 HydrophobicContact CE-CD2 4.22Å; M16-L361 HydrophobicContact CE-CD2 4Å
17L96.5Very high95.6Very high14 Ų1434.6 Ų34.67%0.07317%0.173CC..Hα-helixtrans-77.8-26.4178.2-72.9165.5000112.4L13 S14 F15 L350 M354 W429 E432L13-L17 HydrophobicContact CD1-CD1 4.43Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.26Å; S14-L17 PolarHBondContact O-N 2.93Å; S14-L17 VanDerWaalsContact O-N 3.16Å; F15-L17 VanDerWaalsContact C-N 3.3Å; F15-L17 PolarHBondContact O-N 3.48Å; L17-L350 HydrophobicContact CD2-CD2 3.77Å; L17-L350 HydrophobicContact CD2-CG 4.08Å; L17-L350 HydrophobicContact CG-CD2 3.98Å; L17-M354 HydrophobicContact CD2-CG 3.92Å; L17-W429 HydrophobicContact CD2-CH2 4.25Å; L17-W429 HydrophobicContact CD2-CZ3 4.36Å; L17-E432 HydrophobicContact CD1-CB 4.43Å; L17-E432 HydrophobicContact CD1-CG 3.41Å; L17-E432 VanDerWaalsContact CD1-CG 3.41Å
18D95.4Very high95.6Very high83 Ų8332.4 Ų32.444%0.44417%0.172SC..Hα-helixtrans-84.8-27.8179.3-70.2-33.7000113.4S14 F15 K351 R436S14-D18 WeakPolarHBondContact O-CB 3.45Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 3.27Å; S14-D18 PolarHBondContact OG-OD2 2.72Å; F15-D18 PolarHBondContact O-N 2.95Å; D18-K351 VanDerWaalsContact O-CD 3.28Å; D18-K351 WeakPolarHBondContact O-CD 3.49Å; D18-K351 WeakPolarHBondContact O-CE 3.46Å; D18-R436 IonicContact OD1-CZ 3.61Å; D18-R436 VanDerWaalsContact OD1-CZ 3.25Å; D18-R436 IonicContact OD1-NH1 2.91Å; D18-R436 PolarHBondContact OD1-NH1 3.39Å; D18-R436 IonicContact OD1-NH2 3.13Å; D18-R436 PolarHBondContact OD1-NH2 3.19Å; D18-R436 IonicContact OD2-NH2 2.83Å; D18-R436 PolarHBondContact OD2-NH2 3.39Å; D18-R436 VanDerWaalsContact OD2-NH2 3.16Å
19A95.3Very high95.6Very high16 Ų1636.3 Ų36.313%0.13219%0.185CC..  trans-152.4143-177.600000114.3F15 L25F15-A19 PolarHBondContact O-N 3.34Å; A19-L25 HydrophobicContact CB-CD1 3.49Å; A19-L25 VanDerWaalsContact CB-CD1 3.49Å; A19-L25 HydrophobicContact CB-CD2 3.73Å; A19-L25 HydrophobicContact CB-CG 4.28Å
20D95.9Very high95.5Very high24 Ų2439 Ų3913%0.12820%0.203CC..  trans-84.5127170.2-70.2-25.2000110.3N22 K349 L350 K351 T352D20-N22 PolarHBondContact O-N 2.91Å; D20-K349 HydrophobicContact CB-CD 3.66Å; D20-K349 VanDerWaalsContact CG-CA 3.47Å; D20-K349 WeakPolarHBondContact OD1-CA 3.22Å; D20-L350 PolarHBondContact OD1-N 3.23Å; D20-K351 WeakPolarHBondContact OD1-CB 3.3Å; D20-K351 PolarHBondContact OD1-N 3.2Å; D20-T352 WeakPolarHBondContact OD2-CB 3.27Å; D20-T352 PolarHBondContact OD2-N 3.05Å; D20-T352 PolarHBondContact OD2-OG1 3.35Å
21F96.2Very high95.5Very high2 Ų245.1 Ų45.11%0.00923%0.226CC..  trans-62.4133.8179.1179.2-104000112.7L25 L26 I33 Y64 F344 L345 K349F21-L25 HydrophobicContact CD2-CD2 4.47Å; F21-L26 HydrophobicContact CE2-CB 4.32Å; F21-I33 HydrophobicContact CD2-CD1 3.64Å; F21-I33 HydrophobicContact CE2-CD1 3.83Å; F21-I33 HydrophobicContact CE2-CG1 4.35Å; F21-I33 HydrophobicContact CE2-CG2 3.91Å; F21-Y64 VanDerWaalsContact CE1-O 3.3Å; F21-Y64 WeakPolarHBondContact CE1-O 3.35Å; F21-Y64 WeakPolarHBondContact CZ-O 3.37Å; F21-F344 HydrophobicContact CB-CD2 3.94Å; F21-F344 HydrophobicContact CB-CE2 3.69Å; F21-F344 HydrophobicContact CB-CZ 4.03Å; F21-F344 VanDerWaalsContact CB-O 3.22Å; F21-F344 WeakPolarHBondContact CB-O 3.4Å; F21-F344 HydrophobicContact CD2-CZ 4.37Å; F21-L345 VanDerWaalsContact CD1-O 3.22Å; F21-L345 WeakPolarHBondContact CD1-O 3.21Å; F21-L345 WeakPolarHBondContact CE1-O 3.48Å; F21-L345 HydrophobicContact CE2-CD2 4.46Å; F21-K349 PolarHBondContact O-NZ 2.91Å
22N93.9Very high95.5Very high25 Ų2544 Ų4413%0.13422%0.221CC..SBendtrans-162.3178166.16031.5000109.7D20 Q24 L25 L26 G62D20-N22 PolarHBondContact O-N 2.91Å; N22-Q24 PolarHBondContact ND2-OE1 3.26Å; N22-Q24 VanDerWaalsContact ND2-OE1 3.17Å; N22-Q24 PolarHBondContact O-N 2.92Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.45Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.22Å; N22-Q24 PolarHBondContact OD1-N 3.29Å; N22-Q24 PolarHBondContact OD1-OE1 2.8Å; N22-L25 WeakPolarHBondContact O-CB 3.36Å; N22-L25 PolarHBondContact O-N 3.39Å; N22-L25 VanDerWaalsContact O-N 3.12Å; N22-L25 PolarHBondContact OD1-N 3.2Å; N22-L26 PolarHBondContact O-N 2.88Å; N22-G62 CarbonylContact C-O 3.12Å; N22-G62 VanDerWaalsContact C-O 3.28Å; N22-G62 WeakPolarHBondContact CA-O 3.38Å
23E92.2Very high95.4Very high33 Ų3343.9 Ų43.915%0.15422%0.22CC..Hα-helixtrans-58.8-29.2177.354.8161.3-123.400113.9K27 G62E23-K27 WeakPolarHBondContact O-CG 3.08Å; E23-K27 PolarHBondContact O-N 2.79Å; E23-K27 VanDerWaalsContact O-N 3.09Å; E23-K27 IonicContact OE1-NZ 2.82Å; E23-G62 PolarHBondContact N-O 3.2Å
24Q92.2Very high95.4Very high40 Ų4046.7 Ų46.719%0.18723%0.231CC..Hα-helixtrans-71.8-40177.2-64.393.324.700110.3N22 L26 K27 C28 H139N22-Q24 PolarHBondContact ND2-OE1 3.26Å; N22-Q24 VanDerWaalsContact ND2-OE1 3.17Å; N22-Q24 PolarHBondContact O-N 2.92Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.45Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.22Å; N22-Q24 PolarHBondContact OD1-N 3.29Å; N22-Q24 PolarHBondContact OD1-OE1 2.8Å; Q24-L26 VanDerWaalsContact C-N 3.35Å; Q24-K27 PolarHBondContact O-N 2.8Å; Q24-C28 PolarHBondContact O-N 3.17Å; Q24-C28 VanDerWaalsContact O-N 3.09Å; Q24-C28 PolarHBondContact O-SG 3.33Å; Q24-C28 VanDerWaalsContact O-SG 3.37Å; Q24-H139 HydrophobicContact CG-CB 4.29Å
25L94Very high95.4Very high18 Ų1849.5 Ų49.59%0.09424%0.241CC..Hα-helixtrans-63.1-42.3173.8-166.569.8000111.4F15 A19 F21 N22 K27 C28 Y29 I33 F344F15-L25 HydrophobicContact CE1-CD2 4.12Å; F15-L25 HydrophobicContact CZ-CD1 4.35Å; F15-L25 HydrophobicContact CZ-CD2 4.04Å; F15-L25 HydrophobicContact CZ-CG 4.19Å; A19-L25 HydrophobicContact CB-CD1 3.49Å; A19-L25 VanDerWaalsContact CB-CD1 3.49Å; A19-L25 HydrophobicContact CB-CD2 3.73Å; A19-L25 HydrophobicContact CB-CG 4.28Å; F21-L25 HydrophobicContact CD2-CD2 4.47Å; N22-L25 WeakPolarHBondContact O-CB 3.36Å; N22-L25 PolarHBondContact O-N 3.39Å; N22-L25 VanDerWaalsContact O-N 3.12Å; N22-L25 PolarHBondContact OD1-N 3.2Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.24Å; L25-C28 PolarHBondContact O-N 2.9Å; L25-C28 VanDerWaalsContact O-N 3.12Å; L25-Y29 HydrophobicContact CD1-CD2 3.56Å; L25-Y29 HydrophobicContact CD1-CE2 3.78Å; L25-Y29 HydrophobicContact CG-CD2 4.19Å; L25-Y29 PolarHBondContact O-N 3.34Å; L25-I33 HydrophobicContact CD2-CD1 4.46Å; L25-F344 HydrophobicContact CD2-CE2 4.32Å; L25-F344 HydrophobicContact CD2-CZ 4.03Å
26L94.6Very high95.4Very high3 Ų348.6 Ų48.62%0.01624%0.237CC..Hα-helixtrans-57.4-39.9173.8172.463000112.2F21 N22 Q24 P30 I33 Y34 P66F21-L26 HydrophobicContact CE2-CB 4.32Å; N22-L26 PolarHBondContact O-N 2.88Å; Q24-L26 VanDerWaalsContact C-N 3.35Å; L26-P30 VanDerWaalsContact O-CA 3.28Å; L26-P30 WeakPolarHBondContact O-CA 3.5Å; L26-I33 HydrophobicContact CD1-CB 3.91Å; L26-I33 HydrophobicContact CD1-CG1 4.48Å; L26-I33 HydrophobicContact CD1-CG2 3.59Å; L26-Y34 HydrophobicContact CD1-CD2 4.41Å; L26-Y34 HydrophobicContact CD1-CE2 4.01Å; L26-P66 HydrophobicContact CD1-CB 4.44Å; L26-P66 HydrophobicContact CD1-CG 4.28Å; L26-P66 HydrophobicContact CD2-CB 4.1Å
27K94.2Very high95.4Very high113 Ų11348.4 Ų48.449%0.49124%0.236SC..Hα-helixtrans-67.7-35.2176.3-72.3167.7-175.3168.70112.5E23 Q24 L25E23-K27 WeakPolarHBondContact O-CG 3.08Å; E23-K27 PolarHBondContact O-N 2.79Å; E23-K27 VanDerWaalsContact O-N 3.09Å; E23-K27 IonicContact OE1-NZ 2.82Å; Q24-K27 PolarHBondContact O-N 2.8Å; L25-K27 VanDerWaalsContact C-N 3.28Å; L25-K27 PolarHBondContact O-N 3.24Å
28C95.4Very high95.4Very high88 Ų8851.5 Ų51.560%0.59525%0.253SS*.Hα-helixtrans-78-37.4179.9-67.60000113.2Q24 L25 P30Q24-C28 PolarHBondContact O-N 3.17Å; Q24-C28 VanDerWaalsContact O-N 3.09Å; Q24-C28 PolarHBondContact O-SG 3.33Å; Q24-C28 VanDerWaalsContact O-SG 3.37Å; L25-C28 PolarHBondContact O-N 2.9Å; L25-C28 VanDerWaalsContact O-N 3.12Å; C28-P30 VanDerWaalsContact C-CD 3.44Å
29Y96.1Very high95.4Very high108 Ų10848.5 Ų48.542%0.42424%0.237SC..  trans-130.559.1-173.6-56.8-82.9000111.6F15 L25 K31 E32 I33F15-Y29 HydrophobicContact CE2-CD1 4.43Å; F15-Y29 HydrophobicContact CE2-CD2 4.22Å; F15-Y29 HydrophobicContact CE2-CG 4.11Å; F15-Y29 HydrophobicContact CZ-CD2 4.07Å; F15-Y29 AromaticContact CZ-CG 3.95Å; F15-Y29 HydrophobicContact CZ-CG 3.95Å; L25-Y29 HydrophobicContact CD1-CD2 3.56Å; L25-Y29 HydrophobicContact CD1-CE2 3.78Å; L25-Y29 HydrophobicContact CG-CD2 4.19Å; L25-Y29 PolarHBondContact O-N 3.34Å; Y29-K31 VanDerWaalsContact C-N 3.35Å; Y29-K31 PolarHBondContact O-N 3.45Å; Y29-E32 VanDerWaalsContact C-OE2 3.29Å; Y29-E32 WeakPolarHBondContact CA-OE2 3.3Å; Y29-E32 WeakPolarHBondContact CB-OE2 3.32Å; Y29-I33 VanDerWaalsContact O-CG1 3.28Å; Y29-I33 WeakPolarHBondContact O-CG1 3.23Å; Y29-I33 PolarHBondContact O-N 3.38Å; Y29-I33 VanDerWaalsContact O-N 3.14Å
30P95.6Very high95.5Very high57 Ų5747.8 Ų47.837%0.3723%0.231SC..Hα-helixtrans-63.6-41-173.924.2-33.5000111.8L26 C28 E32 I33 Y34L26-P30 VanDerWaalsContact O-CA 3.28Å; L26-P30 WeakPolarHBondContact O-CA 3.5Å; C28-P30 VanDerWaalsContact C-CD 3.44Å; P30-E32 PolarHBondContact O-N 3.47Å; P30-I33 PolarHBondContact O-N 2.75Å; P30-Y34 HydrophobicContact CB-CD2 4.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.38Å; P30-Y34 WeakPolarHBondContact O-CD2 3.47Å; P30-Y34 PolarHBondContact O-N 2.62Å
31K96Very high95.5Very high170 Ų17047 Ų4774%0.73923%0.226SC*.Hα-helixtrans-64.1-44.7-175.2-67.9-177.4179179.80111.6Y29 K35Y29-K31 VanDerWaalsContact C-N 3.35Å; Y29-K31 PolarHBondContact O-N 3.45Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 2.86Å
32E95.8Very high95.4Very high73 Ų7349.6 Ų49.634%0.34124%0.242SC..Hα-helixtrans-66.2-45.3-179.8-61.680178.600110.5Y29 P30 K35 I36Y29-E32 VanDerWaalsContact C-OE2 3.29Å; Y29-E32 WeakPolarHBondContact CA-OE2 3.3Å; Y29-E32 WeakPolarHBondContact CB-OE2 3.32Å; P30-E32 PolarHBondContact O-N 3.47Å; E32-K35 PolarHBondContact O-N 3.31Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 3.22Å
33I96.9Very high95.5Very high0 Ų048.4 Ų48.40%024%0.236CC..Hα-helixtrans-65.1-45.1178.1-66.3-67.4000112F15 F21 L25 L26 Y29 P30 I36 N37 P66 F344 L345F15-I33 HydrophobicContact CE1-CD1 3.63Å; F15-I33 HydrophobicContact CE1-CG1 4.3Å; F15-I33 HydrophobicContact CZ-CD1 4.39Å; F21-I33 HydrophobicContact CD2-CD1 3.64Å; F21-I33 HydrophobicContact CE2-CD1 3.83Å; F21-I33 HydrophobicContact CE2-CG1 4.35Å; F21-I33 HydrophobicContact CE2-CG2 3.91Å; L25-I33 HydrophobicContact CD2-CD1 4.46Å; L26-I33 HydrophobicContact CD1-CB 3.91Å; L26-I33 HydrophobicContact CD1-CG1 4.48Å; L26-I33 HydrophobicContact CD1-CG2 3.59Å; Y29-I33 VanDerWaalsContact O-CG1 3.28Å; Y29-I33 WeakPolarHBondContact O-CG1 3.23Å; Y29-I33 PolarHBondContact O-N 3.38Å; Y29-I33 VanDerWaalsContact O-N 3.14Å; P30-I33 PolarHBondContact O-N 2.75Å; I33-I36 PolarHBondContact O-N 3.27Å; I33-N37 WeakPolarHBondContact O-CB 3.1Å; I33-N37 PolarHBondContact O-N 3.23Å; I33-P66 HydrophobicContact CG2-CG 3.98Å; I33-F344 HydrophobicContact CD1-CE1 3.58Å; I33-F344 HydrophobicContact CD1-CZ 3.75Å; I33-L345 HydrophobicContact CG2-CD2 4.1Å
34Y96.5Very high95.5Very high60 Ų6047.1 Ų47.124%0.23523%0.231CC..Hα-helixtrans-65.5-38.8176.8-81-72.7000111.3L26 P30 I36 N37 D38 P66 L67L26-Y34 HydrophobicContact CD1-CD2 4.41Å; L26-Y34 HydrophobicContact CD1-CE2 4.01Å; P30-Y34 HydrophobicContact CB-CD2 4.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.38Å; P30-Y34 WeakPolarHBondContact O-CD2 3.47Å; P30-Y34 PolarHBondContact O-N 2.62Å; Y34-I36 PolarHBondContact O-N 3.25Å; Y34-N37 PolarHBondContact O-N 2.91Å; Y34-D38 WeakPolarHBondContact O-CB 3.38Å; Y34-D38 PolarHBondContact O-N 3.38Å; Y34-P66 HydrophobicContact CD1-CG 4.15Å; Y34-P66 HydrophobicContact CE1-CB 3.73Å; Y34-P66 HydrophobicContact CE1-CG 3.87Å; Y34-L67 HydrophobicContact CD1-CD1 4.2Å; Y34-L67 HydrophobicContact CD1-CG 4.38Å; Y34-L67 HydrophobicContact CE1-CD1 4.3Å; Y34-L67 HydrophobicContact CE1-CD2 4.38Å; Y34-L67 HydrophobicContact CE1-CG 4.09Å
35K96.1Very high95.4Very high79 Ų7948.7 Ų48.734%0.34324%0.237SC..Hα-helixtrans-54.8-51.6171.7-179.5-169.3170.9-166.20111D8 E11 K31 E32 N37 D38 I39D8-K35 IonicContact OD1-NZ 3.48Å; D8-K35 PolarHBondContact OD1-NZ 3.4Å; E11-K35 IonicContact OE2-NZ 3.17Å; E11-K35 PolarHBondContact OE2-NZ 2.96Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 2.86Å; E32-K35 PolarHBondContact O-N 3.31Å; K35-N37 PolarHBondContact O-N 3.46Å; K35-D38 PolarHBondContact O-N 2.94Å; K35-I39 HydrophobicContact CG-CD1 4.06Å; K35-I39 VanDerWaalsContact O-CG1 3.31Å; K35-I39 WeakPolarHBondContact O-CG1 3.2Å; K35-I39 PolarHBondContact O-N 2.97Å; K35-I39 VanDerWaalsContact O-N 3.11Å
36I97.4Very high95Very high11 Ų1151.4 Ų51.46%0.05625%0.249CC..Hα-helixtrans-60.7-46179.7-64.8161.7000110.6L12 F15 E32 I33 Y34 I39 C40 Y336 F344 L345L12-I36 HydrophobicContact CD1-CD1 3.88Å; L12-I36 HydrophobicContact CD1-CG1 4.22Å; L12-I36 HydrophobicContact CD1-CG2 3.87Å; F15-I36 HydrophobicContact CD1-CD1 3.93Å; F15-I36 HydrophobicContact CE1-CD1 4.4Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 3.22Å; I33-I36 PolarHBondContact O-N 3.27Å; Y34-I36 PolarHBondContact O-N 3.25Å; I36-I39 PolarHBondContact O-N 3.42Å; I36-C40 PolarHBondContact O-N 2.87Å; I36-C40 PolarHBondContact O-SG 2.93Å; I36-C40 VanDerWaalsContact O-SG 3.32Å; I36-Y336 WeakPolarHBondContact CA-OH 3.43Å; I36-Y336 HydrophobicContact CG2-CE1 4.43Å; I36-F344 HydrophobicContact CD1-CD1 4.34Å; I36-F344 HydrophobicContact CD1-CE1 3.85Å; I36-F344 HydrophobicContact CG2-CD1 4.39Å; I36-L345 HydrophobicContact CG2-CD1 4.09Å; I36-L345 HydrophobicContact CG2-CD2 4.4Å; I36-L345 HydrophobicContact CG2-CG 4.24Å
37N96.9Very high94.5Very high0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-66.7-38.7-177.8-162.6-176.6000112.7I33 Y34 K35 C40 N41 P66 L67 L345I33-N37 WeakPolarHBondContact O-CB 3.1Å; I33-N37 PolarHBondContact O-N 3.23Å; Y34-N37 PolarHBondContact O-N 2.91Å; K35-N37 PolarHBondContact O-N 3.46Å; N37-C40 PolarHBondContact O-N 3.22Å; N37-N41 PolarHBondContact ND2-ND2 3.35Å; N37-N41 WeakPolarHBondContact O-CB 3.26Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 3.31Å; N37-N41 PolarHBondContact O-ND2 3.41Å; N37-P66 HydrophobicContact CB-CG 4.4Å; N37-P66 WeakPolarHBondContact OD1-CD 3.42Å; N37-P66 VanDerWaalsContact OD1-CG 3.29Å; N37-P66 WeakPolarHBondContact OD1-CG 3.46Å; N37-L67 PolarHBondContact ND2-O 3.42Å; N37-L67 VanDerWaalsContact ND2-O 3.08Å; N37-L67 WeakPolarHBondContact OD1-CA 3.5Å; N37-L67 WeakPolarHBondContact OD1-CB 3.42Å; N37-L67 PolarHBondContact OD1-N 3.24Å; N37-L67 PolarHBondContact OD1-O 3.43Å; N37-L345 HydrophobicContact CB-CD1 3.85Å; N37-L345 HydrophobicContact CB-CD2 4.43Å
38D96Very high94Very high79 Ų7949.8 Ų49.842%0.42225%0.247SC..Hα-helixtrans-65.4-41.5177.1-73.5-16.7000111.7Y34 K35 N41 T42Y34-D38 WeakPolarHBondContact O-CB 3.38Å; Y34-D38 PolarHBondContact O-N 3.38Å; K35-D38 PolarHBondContact O-N 2.94Å; D38-N41 PolarHBondContact O-N 2.74Å; D38-T42 WeakPolarHBondContact O-CB 3.46Å; D38-T42 PolarHBondContact O-N 2.64Å; D38-T42 PolarHBondContact O-OG1 3.1Å
39I96.8Very high93.6Very high20 Ų2049.5 Ų49.510%0.10324%0.244CC..Hα-helixtrans-61.6-50.7173.5-65.3168.9000109.6L2 V4 K35 I36 N41 T42 L43 Y336L2-I39 HydrophobicContact CD2-CB 4.2Å; L2-I39 HydrophobicContact CD2-CG1 4.07Å; L2-I39 HydrophobicContact CD2-CG2 3.79Å; V4-I39 HydrophobicContact CG2-CG2 4.04Å; K35-I39 HydrophobicContact CG-CD1 4.06Å; K35-I39 VanDerWaalsContact O-CG1 3.31Å; K35-I39 WeakPolarHBondContact O-CG1 3.2Å; K35-I39 PolarHBondContact O-N 2.97Å; K35-I39 VanDerWaalsContact O-N 3.11Å; I36-I39 PolarHBondContact O-N 3.42Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.42Å; I39-T42 PolarHBondContact O-N 2.74Å; I39-L43 HydrophobicContact CG2-CD1 4.03Å; I39-L43 HydrophobicContact CG2-CG 4.37Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.37Å; I39-Y336 HydrophobicContact CB-CD1 4.36Å; I39-Y336 HydrophobicContact CB-CE1 3.64Å; I39-Y336 HydrophobicContact CD1-CE1 4.35Å; I39-Y336 WeakPolarHBondContact CD1-OH 3.47Å; I39-Y336 HydrophobicContact CG2-CD1 3.49Å; I39-Y336 VanDerWaalsContact CG2-CD1 3.49Å; I39-Y336 HydrophobicContact CG2-CE1 3.24Å; I39-Y336 HydrophobicContact CG2-CG 4.27Å
40C96.9Very high93.4Very high0 Ų044.9 Ų44.90%023%0.228CC..Hα-helixtrans-58.8-41.7178.3-69.60000113.2I36 N37 T44 L337 Y341 L345I36-C40 PolarHBondContact O-N 2.87Å; I36-C40 PolarHBondContact O-SG 2.93Å; I36-C40 VanDerWaalsContact O-SG 3.32Å; N37-C40 PolarHBondContact O-N 3.22Å; C40-T44 WeakPolarHBondContact O-CB 3.38Å; C40-T44 PolarHBondContact O-N 2.83Å; C40-T44 PolarHBondContact O-OG1 3.44Å; C40-L337 HydrophobicContact CB-CD1 4.27Å; C40-Y341 HydrophobicContact CB-CD2 3.95Å; C40-Y341 HydrophobicContact CB-CG 4.35Å; C40-L345 HydrophobicContact CB-CD1 4.48Å
41N95.2Very high93.2Very high7 Ų745.5 Ų45.54%0.03723%0.226CC..Hα-helixtrans-67.2-43177.6-74.7-17000111N37 D38 I39 L43 T44 F45 I52 L67N37-N41 PolarHBondContact ND2-ND2 3.35Å; N37-N41 WeakPolarHBondContact O-CB 3.26Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 3.31Å; N37-N41 PolarHBondContact O-ND2 3.41Å; D38-N41 PolarHBondContact O-N 2.74Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.42Å; N41-L43 PolarHBondContact O-N 2.76Å; N41-T44 WeakPolarHBondContact O-CB 3.2Å; N41-T44 PolarHBondContact O-N 3.44Å; N41-F45 HydrophobicContact CB-CE2 4.22Å; N41-F45 HydrophobicContact CB-CZ 4.29Å; N41-F45 WeakPolarHBondContact O-CB 3.32Å; N41-F45 WeakPolarHBondContact O-CD1 3.22Å; N41-F45 WeakPolarHBondContact O-CD2 3.49Å; N41-F45 WeakPolarHBondContact O-CG 3.31Å; N41-F45 PolarHBondContact O-N 2.84Å; N41-I52 HydrophobicContact CB-CD1 4.4Å; N41-I52 WeakPolarHBondContact ND2-CD1 3.3Å; N41-L67 WeakPolarHBondContact ND2-CB 3.36Å; N41-L67 PolarHBondContact ND2-O 3.45Å
42T94.9Very high93.1Very high57 Ų5740.1 Ų40.135%0.3521%0.205SC..Hα-helixtrans-57.3-51.1175.5-58.30000110.7L2 D38 I39 T44 F45 E46L2-T42 HydrophobicContact CB-CG2 3.98Å; L2-T42 HydrophobicContact CD2-CG2 4.11Å; D38-T42 WeakPolarHBondContact O-CB 3.46Å; D38-T42 PolarHBondContact O-N 2.64Å; D38-T42 PolarHBondContact O-OG1 3.1Å; I39-T42 PolarHBondContact O-N 2.74Å; T42-T44 VanDerWaalsContact C-N 3.28Å; T42-T44 PolarHBondContact O-N 2.88Å; T42-F45 PolarHBondContact O-N 3.44Å; T42-F45 VanDerWaalsContact O-N 3.13Å; T42-E46 WeakPolarHBondContact O-CG 3.38Å; T42-E46 PolarHBondContact O-N 2.87Å
43L95.2Very high93.1Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-60.9-36.6177.6-63.7175.8000112.5V4 I39 N41 F45 L329 Q333 Y336 L337V4-L43 HydrophobicContact CG2-CD1 4.11Å; V4-L43 HydrophobicContact CG2-CD2 4.17Å; I39-L43 HydrophobicContact CG2-CD1 4.03Å; I39-L43 HydrophobicContact CG2-CG 4.37Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.4Å; I39-L43 PolarHBondContact O-N 3.37Å; N41-L43 PolarHBondContact O-N 2.76Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-L329 HydrophobicContact CB-CD1 4.22Å; L43-L329 HydrophobicContact CB-CD2 4.36Å; L43-L329 HydrophobicContact CD2-CD2 3.97Å; L43-Q333 HydrophobicContact CD1-CB 4.37Å; L43-Q333 WeakPolarHBondContact CD1-O 3.49Å; L43-Q333 HydrophobicContact CD2-CB 3.91Å; L43-Q333 HydrophobicContact CD2-CG 3.83Å; L43-Y336 HydrophobicContact CD1-CD1 4.19Å; L43-L337 HydrophobicContact CB-CD1 4.45Å; L43-L337 HydrophobicContact CD1-CB 4.1Å
44T91.9Very high92.9Very high6 Ų643.3 Ų43.34%0.03722%0.22CC..Hα-helixtrans-66.3-38.3176.6-61.20000111.7C40 N41 T42 C48 A69 L337C40-T44 WeakPolarHBondContact O-CB 3.38Å; C40-T44 PolarHBondContact O-N 2.83Å; C40-T44 PolarHBondContact O-OG1 3.44Å; N41-T44 WeakPolarHBondContact O-CB 3.2Å; N41-T44 PolarHBondContact O-N 3.44Å; T42-T44 VanDerWaalsContact C-N 3.28Å; T42-T44 PolarHBondContact O-N 2.88Å; T44-C48 WeakPolarHBondContact O-CB 3.41Å; T44-C48 PolarHBondContact O-N 3.46Å; T44-A69 HydrophobicContact CG2-CB 4.38Å; T44-L337 WeakPolarHBondContact OG1-CD1 3.34Å
45F90.3Very high92.8Very high74 Ų7440.4 Ų40.433%0.32521%0.209SC..Hα-helixtrans-81.8-14.9-173.1-63.2-10.8000114.4N41 T42 L43 D47 A50 I52 A69N41-F45 HydrophobicContact CB-CE2 4.22Å; N41-F45 HydrophobicContact CB-CZ 4.29Å; N41-F45 WeakPolarHBondContact O-CB 3.32Å; N41-F45 WeakPolarHBondContact O-CD1 3.22Å; N41-F45 WeakPolarHBondContact O-CD2 3.49Å; N41-F45 WeakPolarHBondContact O-CG 3.31Å; N41-F45 PolarHBondContact O-N 2.84Å; T42-F45 PolarHBondContact O-N 3.44Å; T42-F45 VanDerWaalsContact O-N 3.13Å; L43-F45 VanDerWaalsContact C-N 3.34Å; F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.34Å; F45-A50 HydrophobicContact CD1-CB 3.73Å; F45-A50 HydrophobicContact CE1-CB 3.25Å; F45-A50 HydrophobicContact CZ-CB 4.13Å; F45-I52 HydrophobicContact CE2-CD1 3.92Å; F45-I52 HydrophobicContact CE2-CG1 4.15Å; F45-I52 HydrophobicContact CZ-CD1 3.42Å; F45-I52 VanDerWaalsContact CZ-CD1 3.42Å; F45-I52 HydrophobicContact CZ-CG1 3.92Å; F45-A69 HydrophobicContact CE1-CB 3.8Å; F45-A69 HydrophobicContact CZ-CB 4.28Å
46E85.5Confident92.4Very high75 Ų7541.1 Ų41.135%0.3521%0.214SC..Hα-helixtrans-57.7-41.8176.7-69.4-81.8-173.900111.1M1 T42M1-E46 WeakPolarHBondContact CA-OE1 3.5Å; M1-E46 PolarHBondContact N-OE1 3Å; T42-E46 WeakPolarHBondContact O-CG 3.38Å; T42-E46 PolarHBondContact O-N 2.87Å
47D84.1Confident91.8Very high65 Ų6545.2 Ų45.235%0.34824%0.236SC..Hα-helixtrans-117.7-15.6-177.8-66.3-48.8000114.6F45 H326 C327 S328F45-D47 VanDerWaalsContact C-N 3.28Å; F45-D47 PolarHBondContact O-N 3.34Å; D47-H326 WeakPolarHBondContact OD2-CA 3.4Å; D47-C327 PolarHBondContact OD2-N 3.13Å; D47-S328 WeakPolarHBondContact OD1-CB 3.26Å; D47-S328 PolarHBondContact OD1-OG 3.05Å; D47-S328 VanDerWaalsContact OD2-CB 3.26Å; D47-S328 WeakPolarHBondContact OD2-CB 3.49Å; D47-S328 PolarHBondContact OD2-N 3.08Å; D47-S328 PolarHBondContact OD2-OG 3.2Å
48C84.5Confident91.4Very high17 Ų1745.4 Ų45.412%0.11524%0.238CC..SBendtrans-129.4101.7-174.7-166.90000111.2T44 A50T44-C48 WeakPolarHBondContact O-CB 3.41Å; T44-C48 PolarHBondContact O-N 3.46Å; C48-A50 PolarHBondContact O-N 3.37Å
49P87.5Confident91.1Very high81 Ų8147.1 Ų47.153%0.52624%0.24SC..  trans-57.6127.9176.2-24.433.6000111.5R72P49-R72 PolarHBondContact O-N 3.11Å
50A90.3Very high90.8Very high12 Ų1246.7 Ų46.710%0.09924%0.238CC..EExtended strand (participates in β ladder)trans-143.6165.7-179.500000110.7F45 C48 A69 I70F45-A50 HydrophobicContact CD1-CB 3.73Å; F45-A50 HydrophobicContact CE1-CB 3.25Å; F45-A50 HydrophobicContact CZ-CB 4.13Å; C48-A50 PolarHBondContact O-N 3.37Å; A50-A69 HydrophobicContact CB-CB 4.36Å; A50-I70 CarbonylContact C-O 3.56Å; A50-I70 WeakPolarHBondContact CA-O 3.5Å; A50-I70 VanDerWaalsContact CB-O 3.26Å; A50-I70 WeakPolarHBondContact CB-O 3.43Å
51E91.8Very high90.6Very high70 Ų7046.7 Ų46.733%0.32724%0.238SC..EExtended strand (participates in β ladder)trans-114.3154.4173-68.8173.562.400109.7I70 R72 L80E51-I70 PolarHBondContact N-O 3.04Å; E51-I70 PolarHBondContact O-N 3.26Å; E51-R72 HydrophobicContact CG-CG 4.14Å; E51-R72 VanDerWaalsContact CG-NH2 3.35Å; E51-R72 WeakPolarHBondContact OE2-CG 3.33Å; E51-R72 IonicContact OE2-CZ 3.38Å; E51-R72 IonicContact OE2-NE 3.86Å; E51-R72 PolarHBondContact OE2-NE 2.98Å; E51-R72 IonicContact OE2-NH2 3.48Å; E51-L80 HydrophobicContact CB-CD1 4.46Å; E51-L80 HydrophobicContact CB-CD2 3.83Å
52I94.5Very high90.5Very high57 Ų5746.8 Ų46.829%0.29224%0.24SC..EExtended strand (participates in β ladder)trans-97.4119.3-178.6-65.3-67.3000109.5N41 F45 L67 L80N41-I52 HydrophobicContact CB-CD1 4.4Å; N41-I52 WeakPolarHBondContact ND2-CD1 3.3Å; F45-I52 HydrophobicContact CE2-CD1 3.92Å; F45-I52 HydrophobicContact CE2-CG1 4.15Å; F45-I52 HydrophobicContact CZ-CD1 3.42Å; F45-I52 VanDerWaalsContact CZ-CD1 3.42Å; F45-I52 HydrophobicContact CZ-CG1 3.92Å; I52-L67 HydrophobicContact CD1-CB 4.41Å; I52-L67 HydrophobicContact CG2-CB 3.91Å; I52-L67 HydrophobicContact CG2-CD2 3.95Å; I52-L67 HydrophobicContact CG2-CG 4.44Å; I52-L80 WeakPolarHBondContact O-CD2 3.39Å
53L94.9Very high90.5Very high16 Ų1645 Ų458%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-92.6120.7164.9177.369.1000109.1M60 I68 I70 L80 M87L53-M60 HydrophobicContact CD1-SD 4.3Å; L53-M60 HydrophobicContact CD2-CE 4.04Å; L53-M60 HydrophobicContact CD2-SD 4.02Å; L53-M60 HydrophobicContact CG-SD 4.12Å; L53-I68 HydrophobicContact CB-CB 4.28Å; L53-I68 PolarHBondContact N-O 3.1Å; L53-I68 PolarHBondContact O-N 3.06Å; L53-I70 HydrophobicContact CB-CD1 4.3Å; L53-I70 HydrophobicContact CB-CG1 3.79Å; L53-I70 HydrophobicContact CD2-CD1 4.36Å; L53-L80 HydrophobicContact CB-CD1 4.37Å; L53-M87 HydrophobicContact CD2-SD 3.4Å; L53-M87 WeakPolarHBondContact CD2-SD 3.46Å
54E94.6Very high90.6Very high123 Ų12345.1 Ų45.158%0.57523%0.228SC*.EExtended strand (participates in β ladder)trans-79.1120.5179.9-62.7-176.7-17800111.5M56 L67E54-M56 HydrophobicContact CB-CG 4.04Å; E54-M56 HydrophobicContact CB-SD 4.29Å; E54-L67 HydrophobicContact CG-CD2 4.39Å
55N94.3Very high90.8Very high0 Ų044.8 Ų44.80%023%0.226CC..  trans-108.557.6171.5177.634.6000109.1N57 G58 Y59 M60 C61 Y64 P65 P66 I68N55-N57 PolarHBondContact O-N 3.05Å; N55-G58 PolarHBondContact O-N 2.74Å; N55-G58 VanDerWaalsContact OD1-C 3.22Å; N55-G58 WeakPolarHBondContact OD1-CA 3.34Å; N55-Y59 PolarHBondContact OD1-N 3.45Å; N55-M60 WeakPolarHBondContact OD1-CA 3.39Å; N55-M60 VanDerWaalsContact OD1-CB 3.31Å; N55-M60 WeakPolarHBondContact OD1-CB 3.43Å; N55-M60 PolarHBondContact OD1-N 2.98Å; N55-C61 PolarHBondContact ND2-O 3.19Å; N55-C61 PolarHBondContact OD1-N 3.02Å; N55-C61 VanDerWaalsContact OD1-N 3.12Å; N55-Y64 PolarHBondContact ND2-O 2.81Å; N55-P65 WeakPolarHBondContact CB-O 3.44Å; N55-P65 PolarHBondContact ND2-O 3.36Å; N55-P65 VanDerWaalsContact ND2-O 3.08Å; N55-P66 PolarHBondContact N-O 3.46Å; N55-I68 HydrophobicContact CB-CD1 4.03Å; N55-I68 HydrophobicContact CB-CG1 4.34Å
56M87Confident91.1Very high93 Ų9341.3 Ų41.346%0.45821%0.211SC..G310 helixtrans-52123.7-173.7-63.6-59.1-81.100111.4E54 G58 Y59E54-M56 HydrophobicContact CB-CG 4.04Å; E54-M56 HydrophobicContact CB-SD 4.29Å; M56-G58 PolarHBondContact O-N 3.43Å; M56-Y59 VanDerWaalsContact O-CB 3.23Å; M56-Y59 WeakPolarHBondContact O-CB 3.48Å; M56-Y59 PolarHBondContact O-N 3.32Å
57N84.8Confident91.6Very high97 Ų9739 Ų3952%0.51920%0.201SC..G310 helixtrans54.521.5-178.8-59.7-39.9000115.1N55 Y59N55-N57 PolarHBondContact O-N 3.05Å; N57-Y59 VanDerWaalsContact C-N 3.33Å
58G87.4Confident92.2Very high4 Ų435.9 Ų35.94%0.04119%0.185CC..G310 helixtrans76.815.4-176.600000114.6N55 M56 M60 C61 G62N55-G58 PolarHBondContact O-N 2.74Å; N55-G58 VanDerWaalsContact OD1-C 3.22Å; N55-G58 WeakPolarHBondContact OD1-CA 3.34Å; M56-G58 PolarHBondContact O-N 3.43Å; G58-M60 VanDerWaalsContact C-N 3.29Å; G58-M60 PolarHBondContact O-N 3.18Å; G58-C61 CarbonylContact O-C 3.44Å; G58-C61 PolarHBondContact O-N 2.88Å; G58-G62 PolarHBondContact O-N 3.38Å
59Y89.6Confident92.6Very high116 Ų11635.2 Ų35.246%0.45518%0.18SC..SBendtrans-55.2-39.2-174.2176.4-102.8000114.2N55 M56 N57 L88 K91N55-Y59 PolarHBondContact OD1-N 3.45Å; M56-Y59 VanDerWaalsContact O-CB 3.23Å; M56-Y59 WeakPolarHBondContact O-CB 3.48Å; M56-Y59 PolarHBondContact O-N 3.32Å; N57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-L88 HydrophobicContact CD1-CD1 4.21Å; Y59-L88 HydrophobicContact CE1-CD1 3.58Å; Y59-L88 HydrophobicContact CE1-CD2 3.99Å; Y59-L88 HydrophobicContact CE1-CG 4.47Å; Y59-K91 PolarHBondContact O-NZ 3.45Å
60M91.1Very high92.9Very high11 Ų1131.5 Ų31.55%0.05416%0.156CC..SBendtrans-77.7-50.9175.4-54.6-176.172.200110.1L53 N55 G58 G84 M87 L88 K91 T97 F99L53-M60 HydrophobicContact CD1-SD 4.3Å; L53-M60 HydrophobicContact CD2-CE 4.04Å; L53-M60 HydrophobicContact CD2-SD 4.02Å; L53-M60 HydrophobicContact CG-SD 4.12Å; N55-M60 WeakPolarHBondContact OD1-CA 3.39Å; N55-M60 VanDerWaalsContact OD1-CB 3.31Å; N55-M60 WeakPolarHBondContact OD1-CB 3.43Å; N55-M60 PolarHBondContact OD1-N 2.98Å; G58-M60 VanDerWaalsContact C-N 3.29Å; G58-M60 PolarHBondContact O-N 3.18Å; M60-G84 WeakPolarHBondContact CE-O 3.1Å; M60-M87 HydrophobicContact CE-CB 3.56Å; M60-L88 HydrophobicContact CE-CB 4.4Å; M60-K91 VanDerWaalsContact O-CD 3.25Å; M60-K91 WeakPolarHBondContact O-CD 3.41Å; M60-T97 PolarHBondContact O-OG1 2.97Å; M60-F99 HydrophobicContact CB-CE1 3.68Å; M60-F99 HydrophobicContact CB-CZ 4.13Å; M60-F99 HydrophobicContact CE-CE1 4.39Å; M60-F99 HydrophobicContact CE-CZ 4.03Å
61C93.7Very high92.9Very high0 Ų031.3 Ų31.30%015%0.153CC..  trans-149.3119.5172.5-177.80000110.7N55 G58 H63 Y64 T97 F99N55-C61 PolarHBondContact ND2-O 3.19Å; N55-C61 PolarHBondContact OD1-N 3.02Å; N55-C61 VanDerWaalsContact OD1-N 3.12Å; G58-C61 CarbonylContact O-C 3.44Å; G58-C61 PolarHBondContact O-N 2.88Å; C61-H63 PolarHBondContact O-N 3.5Å; C61-Y64 HydrophobicContact CB-CD1 4.43Å; C61-Y64 HydrophobicContact CB-CD2 3.7Å; C61-Y64 HydrophobicContact CB-CE2 4.3Å; C61-Y64 HydrophobicContact CB-CG 3.78Å; C61-Y64 PolarHBondContact O-N 3.48Å; C61-Y64 VanDerWaalsContact O-N 3.14Å; C61-T97 WeakPolarHBondContact CB-O 3.46Å; C61-T97 PolarHBondContact SG-O 3.47Å; C61-F99 HydrophobicContact CB-CD1 4.21Å; C61-F99 HydrophobicContact CB-CE1 3.83Å
62G92.9Very high92.4Very high9 Ų934.9 Ų34.99%0.09316%0.164CC..THydrogen-bonded Turntrans-69.38.8178.400000114.9N22 E23 G58N22-G62 CarbonylContact C-O 3.12Å; N22-G62 VanDerWaalsContact C-O 3.28Å; N22-G62 WeakPolarHBondContact CA-O 3.38Å; E23-G62 PolarHBondContact N-O 3.2Å; G58-G62 PolarHBondContact O-N 3.38Å
63H93.9Very high91.5Very high19 Ų1932.7 Ų32.79%0.08815%0.153CC..THydrogen-bonded Turntrans-125.98.5176.8-58.299.1000112.8C61 R98 D137 F346 G347C61-H63 PolarHBondContact O-N 3.5Å; H63-R98 PolarHBondContact O-NH1 3.3Å; H63-D137 IonicContact CE1-OD2 2.68Å; H63-F346 CarbonylContact O-C 3.45Å; H63-F346 WeakPolarHBondContact O-CA 3.4Å; H63-G347 PolarHBondContact O-N 3.49Å
64Y97Very high90.1Very high2 Ų241.7 Ų41.71%0.00819%0.186CC..SBendtrans-109.3158.8177.3-75.9-0.8000110.7F21 N55 C61 I68 R98 F99 V101 L345 F346F21-Y64 VanDerWaalsContact CE1-O 3.3Å; F21-Y64 WeakPolarHBondContact CE1-O 3.35Å; F21-Y64 WeakPolarHBondContact CZ-O 3.37Å; N55-Y64 PolarHBondContact ND2-O 2.81Å; C61-Y64 HydrophobicContact CB-CD1 4.43Å; C61-Y64 HydrophobicContact CB-CD2 3.7Å; C61-Y64 HydrophobicContact CB-CE2 4.3Å; C61-Y64 HydrophobicContact CB-CG 3.78Å; C61-Y64 PolarHBondContact O-N 3.48Å; C61-Y64 VanDerWaalsContact O-N 3.14Å; Y64-I68 HydrophobicContact CD2-CD1 4.21Å; Y64-R98 HydrophobicContact CE1-CB 3.98Å; Y64-R98 HydrophobicContact CE1-CG 3.89Å; Y64-R98 WeakPolarHBondContact OH-CA 3.37Å; Y64-R98 WeakPolarHBondContact OH-CB 3.35Å; Y64-R98 PolarHBondContact OH-O 3.47Å; Y64-F99 HydrophobicContact CD2-CD1 4.35Å; Y64-F99 AromaticContact CD2-CE1 3.76Å; Y64-F99 HydrophobicContact CD2-CE1 3.76Å; Y64-F99 HydrophobicContact CD2-CE2 4.26Å; Y64-F99 AromaticContact CD2-CZ 3.72Å; Y64-F99 HydrophobicContact CD2-CZ 3.72Å; Y64-F99 HydrophobicContact CE2-CD1 4.05Å; Y64-F99 HydrophobicContact CE2-CD2 4.2Å; Y64-F99 AromaticContact CE2-CE1 3.91Å; Y64-F99 HydrophobicContact CE2-CE1 3.91Å; Y64-F99 HydrophobicContact CE2-CE2 4.06Å; Y64-F99 HydrophobicContact CE2-CG 4.18Å; Y64-F99 AromaticContact CE2-CZ 3.92Å; Y64-F99 HydrophobicContact CE2-CZ 3.92Å; Y64-F99 WeakPolarHBondContact CE2-O 3.28Å; Y64-F99 PolarHBondContact OH-O 3.12Å; Y64-V101 HydrophobicContact CD2-CG1 4.24Å; Y64-V101 HydrophobicContact CE2-CB 4.22Å; Y64-V101 HydrophobicContact CE2-CG1 3.61Å; Y64-L345 CarbonylContact C-O 3.51Å; Y64-L345 VanDerWaalsContact C-O 3.29Å; Y64-F346 AromaticContact CD1-CD1 3.43Å; Y64-F346 HydrophobicContact CD1-CD1 3.43Å; Y64-F346 VanDerWaalsContact CD1-CD1 3.43Å; Y64-F346 AromaticContact CD1-CE1 3.78Å; Y64-F346 HydrophobicContact CD1-CE1 3.78Å; Y64-F346 HydrophobicContact CD2-CE1 4.33Å; Y64-F346 AromaticContact CE1-CD1 3.66Å; Y64-F346 HydrophobicContact CE1-CD1 3.66Å; Y64-F346 HydrophobicContact CE1-CE1 4.01Å; Y64-F346 HydrophobicContact CG-CD1 4.04Å; Y64-F346 AromaticContact CG-CE1 3.94Å; Y64-F346 HydrophobicContact CG-CE1 3.94Å
65P97Very high88.7Confident0 Ų040.9 Ų40.90%018%0.182CC..  trans-54.7149.7178.3-17.824.8000111.3N55 L67 I68 Y341 L345 F346N55-P65 WeakPolarHBondContact CB-O 3.44Å; N55-P65 PolarHBondContact ND2-O 3.36Å; N55-P65 VanDerWaalsContact ND2-O 3.08Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.31Å; P65-I68 HydrophobicContact CB-CG1 4.44Å; P65-I68 WeakPolarHBondContact O-CG1 3.29Å; P65-Y341 HydrophobicContact CG-CD2 4.48Å; P65-Y341 HydrophobicContact CG-CE2 3.97Å; P65-L345 HydrophobicContact CB-CB 4.03Å; P65-L345 VanDerWaalsContact CD-O 3.25Å; P65-L345 WeakPolarHBondContact CD-O 3.47Å; P65-L345 HydrophobicContact CG-CB 3.76Å; P65-L345 VanDerWaalsContact N-O 3.12Å; P65-F346 HydrophobicContact CG-CD2 4.18Å; P65-F346 HydrophobicContact CG-CE1 4.29Å; P65-F346 HydrophobicContact CG-CE2 3.91Å; P65-F346 HydrophobicContact CG-CG 4.48Å; P65-F346 HydrophobicContact CG-CZ 3.97Å
66P96.7Very high87.3Confident0 Ų042.6 Ų42.60%019%0.191CC..SBendtrans-65.6-3017325.4-32.5000112.7L26 I33 Y34 N37 N55L26-P66 HydrophobicContact CD1-CB 4.44Å; L26-P66 HydrophobicContact CD1-CG 4.28Å; L26-P66 HydrophobicContact CD2-CB 4.1Å; I33-P66 HydrophobicContact CG2-CG 3.98Å; Y34-P66 HydrophobicContact CD1-CG 4.15Å; Y34-P66 HydrophobicContact CE1-CB 3.73Å; Y34-P66 HydrophobicContact CE1-CG 3.87Å; N37-P66 HydrophobicContact CB-CG 4.4Å; N37-P66 WeakPolarHBondContact OD1-CD 3.42Å; N37-P66 VanDerWaalsContact OD1-CG 3.29Å; N37-P66 WeakPolarHBondContact OD1-CG 3.46Å; N55-P66 PolarHBondContact N-O 3.46Å
67L96Very high86.1Confident27 Ų2744 Ų4414%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-122.3102.4175.7-54.2177.8000109Y34 N37 N41 I52 E54 P65Y34-L67 HydrophobicContact CD1-CD1 4.2Å; Y34-L67 HydrophobicContact CD1-CG 4.38Å; Y34-L67 HydrophobicContact CE1-CD1 4.3Å; Y34-L67 HydrophobicContact CE1-CD2 4.38Å; Y34-L67 HydrophobicContact CE1-CG 4.09Å; N37-L67 PolarHBondContact ND2-O 3.42Å; N37-L67 VanDerWaalsContact ND2-O 3.08Å; N37-L67 WeakPolarHBondContact OD1-CA 3.5Å; N37-L67 WeakPolarHBondContact OD1-CB 3.42Å; N37-L67 PolarHBondContact OD1-N 3.24Å; N37-L67 PolarHBondContact OD1-O 3.43Å; N41-L67 WeakPolarHBondContact ND2-CB 3.36Å; N41-L67 PolarHBondContact ND2-O 3.45Å; I52-L67 HydrophobicContact CD1-CB 4.41Å; I52-L67 HydrophobicContact CG2-CB 3.91Å; I52-L67 HydrophobicContact CG2-CD2 3.95Å; I52-L67 HydrophobicContact CG2-CG 4.44Å; E54-L67 HydrophobicContact CG-CD2 4.39Å; P65-L67 VanDerWaalsContact C-N 3.27Å; P65-L67 PolarHBondContact O-N 3.31Å
68I96.2Very high85.4Confident0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-90.9120.2-176-58176.3000109.1L53 N55 Y64 P65 I70 F99 V101L53-I68 HydrophobicContact CB-CB 4.28Å; L53-I68 PolarHBondContact N-O 3.1Å; L53-I68 PolarHBondContact O-N 3.06Å; N55-I68 HydrophobicContact CB-CD1 4.03Å; N55-I68 HydrophobicContact CB-CG1 4.34Å; Y64-I68 HydrophobicContact CD2-CD1 4.21Å; P65-I68 HydrophobicContact CB-CG1 4.44Å; P65-I68 WeakPolarHBondContact O-CG1 3.29Å; I68-I70 HydrophobicContact CG2-CD1 3.73Å; I68-I70 PolarHBondContact O-N 3.33Å; I68-F99 HydrophobicContact CD1-CZ 4.2Å; I68-V101 HydrophobicContact CG2-CG2 3.46Å; I68-V101 VanDerWaalsContact CG2-CG2 3.46Å
69A94.2Very high85.3Confident3 Ų342.7 Ų42.73%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-75117172.700000111T44 F45 A50 Y341T44-A69 HydrophobicContact CG2-CB 4.38Å; F45-A69 HydrophobicContact CE1-CB 3.8Å; F45-A69 HydrophobicContact CZ-CB 4.28Å; A50-A69 HydrophobicContact CB-CB 4.36Å; A69-Y341 PolarHBondContact N-OH 2.84Å; A69-Y341 VanDerWaalsContact N-OH 3.12Å
70I93.7Very high85.2Confident3 Ų339.1 Ų39.12%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-102.8107.4174.7-54.5-57.7000108.6A50 E51 L53 I68 R72 L76 L80 L83 M87 V101A50-I70 CarbonylContact C-O 3.56Å; A50-I70 WeakPolarHBondContact CA-O 3.5Å; A50-I70 VanDerWaalsContact CB-O 3.26Å; A50-I70 WeakPolarHBondContact CB-O 3.43Å; E51-I70 PolarHBondContact N-O 3.04Å; E51-I70 PolarHBondContact O-N 3.26Å; L53-I70 HydrophobicContact CB-CD1 4.3Å; L53-I70 HydrophobicContact CB-CG1 3.79Å; L53-I70 HydrophobicContact CD2-CD1 4.36Å; I68-I70 HydrophobicContact CG2-CD1 3.73Å; I68-I70 PolarHBondContact O-N 3.33Å; I70-R72 PolarHBondContact O-N 2.81Å; I70-L76 HydrophobicContact CG2-CD2 4.25Å; I70-L80 HydrophobicContact CB-CD1 4.09Å; I70-L80 HydrophobicContact CG1-CD1 3.89Å; I70-L80 HydrophobicContact CG2-CD1 4.23Å; I70-L83 HydrophobicContact CG2-CD2 4.04Å; I70-M87 HydrophobicContact CD1-CE 4.27Å; I70-V101 HydrophobicContact CD1-CG2 4.05Å
71P90.6Very high85.1Confident7 Ų742.2 Ų42.25%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-56.8133.4178.5-23.434000112.3T73 P102P71-T73 HydrophobicContact CB-CG2 4.5Å; P71-T73 PolarHBondContact O-N 3.37Å; P71-P102 HydrophobicContact CG-CB 4.1Å
72R81.4Confident85Confident145 Ų14546.3 Ų46.355%0.54725%0.245SC..  trans-72.6110.3171-70.6-171.5177.6126.63.2108.8P49 E51 I70P49-R72 PolarHBondContact O-N 3.11Å; E51-R72 HydrophobicContact CG-CG 4.14Å; E51-R72 VanDerWaalsContact CG-NH2 3.35Å; E51-R72 WeakPolarHBondContact OE2-CG 3.33Å; E51-R72 IonicContact OE2-CZ 3.38Å; E51-R72 IonicContact OE2-NE 3.86Å; E51-R72 PolarHBondContact OE2-NE 2.98Å; E51-R72 IonicContact OE2-NH2 3.48Å; I70-R72 PolarHBondContact O-N 2.81Å
73T74.4Confident85Confident11 Ų1145.9 Ų45.97%0.06724%0.241CC..  trans-113148.3172.271.10000110.2P71 H75 L76 S105 N110P71-T73 HydrophobicContact CB-CG2 4.5Å; P71-T73 PolarHBondContact O-N 3.37Å; T73-H75 PolarHBondContact O-N 2.9Å; T73-L76 PolarHBondContact O-N 2.87Å; T73-L76 VanDerWaalsContact O-N 3.1Å; T73-S105 WeakPolarHBondContact CG2-OG 3.35Å; T73-N110 WeakPolarHBondContact CG2-OD1 3.46Å
74R65.8Low85Confident206 Ų20645.4 Ų45.478%0.77724%0.241SC*.THydrogen-bonded Turntrans-59.1-21.1178.1-67.4-179.2-178.2165.23.5113H108R74-H108 PolarHBondContact NE-NE2 2.83Å
75H64.4Low84.8Confident106 Ų10649.9 Ų49.949%0.49126%0.262SS..THydrogen-bonded Turntrans-89.3-12.4-177.6-63.5-68.7000113.5T73 S77 N177T73-H75 PolarHBondContact O-N 2.9Å; H75-S77 PolarHBondContact O-N 3.43Å; H75-N177 HydrophobicContact CB-CB 4.1Å; H75-N177 PolarHBondContact CD2-ND2 3.41Å
76L65.5Low84.7Confident35 Ų3550.2 Ų50.218%0.18326%0.264CS..  trans-76.582.9176.4-155.273.1000109I70 T73 S78 L83 R175 L176I70-L76 HydrophobicContact CG2-CD2 4.25Å; T73-L76 PolarHBondContact O-N 2.87Å; T73-L76 VanDerWaalsContact O-N 3.1Å; L76-S78 VanDerWaalsContact C-N 3.32Å; L76-L83 HydrophobicContact CD1-CD1 4.48Å; L76-L83 HydrophobicContact CD1-CD2 4.08Å; L76-L83 HydrophobicContact CD2-CD2 4.16Å; L76-R175 WeakPolarHBondContact CD1-O 3.41Å; L76-L176 HydrophobicContact CD1-CD2 4.36Å
77S61.1Low84.6Confident123 Ų12350.2 Ų50.286%0.8626%0.264SS*.  trans-75.3-24.3177.756.10000112.6H75H75-S77 PolarHBondContact O-N 3.43Å
78S71.1Confident84.4Confident18 Ų1850.3 Ų50.313%0.12627%0.265CS..SBendtrans-77.4142178.355.60000111.3L76L76-S78 VanDerWaalsContact C-N 3.32Å
79S84Confident84.2Confident56 Ų5653.7 Ų53.739%0.39228%0.28SS..  trans-59.9153.7169.274.80000110.5A81 D82 L83S79-A81 PolarHBondContact O-N 2.97Å; S79-D82 WeakPolarHBondContact CB-OD2 3.46Å; S79-D82 PolarHBondContact N-OD2 3.42Å; S79-D82 PolarHBondContact O-N 2.87Å; S79-D82 VanDerWaalsContact O-N 3.12Å; S79-D82 PolarHBondContact OG-N 3.49Å; S79-D82 VanDerWaalsContact OG-N 3.1Å; S79-D82 PolarHBondContact OG-OD2 3.45Å; S79-L83 PolarHBondContact O-N 3.43Å
80L88.8Confident84.1Confident41 Ų4153.5 Ų53.522%0.21528%0.279CS..Hα-helixtrans-56.7-33.8174.5-175.466.6000111.9E51 I52 L53 I70 L83 G84E51-L80 HydrophobicContact CB-CD1 4.46Å; E51-L80 HydrophobicContact CB-CD2 3.83Å; I52-L80 WeakPolarHBondContact O-CD2 3.39Å; L53-L80 HydrophobicContact CB-CD1 4.37Å; I70-L80 HydrophobicContact CB-CD1 4.09Å; I70-L80 HydrophobicContact CG1-CD1 3.89Å; I70-L80 HydrophobicContact CG2-CD1 4.23Å; L80-L83 PolarHBondContact O-N 3.01Å; L80-G84 PolarHBondContact O-N 3.43Å
81A89.1Confident84Confident75 Ų7554.3 Ų54.362%0.6228%0.282SS*.Hα-helixtrans-64.2-46175.900000111.8S79 L83 G84 Q85S79-A81 PolarHBondContact O-N 2.97Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.06Å; A81-G84 PolarHBondContact O-N 3.48Å; A81-Q85 WeakPolarHBondContact O-CB 3.32Å; A81-Q85 PolarHBondContact O-N 3Å
82D91.3Very high83.9Confident86 Ų8655.9 Ų55.946%0.4629%0.288SS..Hα-helixtrans-64.8-39.8177.4-60.5-42.8000111.6S79 L86S79-D82 WeakPolarHBondContact CB-OD2 3.46Å; S79-D82 PolarHBondContact N-OD2 3.42Å; S79-D82 PolarHBondContact O-N 2.87Å; S79-D82 VanDerWaalsContact O-N 3.12Å; S79-D82 PolarHBondContact OG-N 3.49Å; S79-D82 VanDerWaalsContact OG-N 3.1Å; S79-D82 PolarHBondContact OG-OD2 3.45Å; D82-L86 WeakPolarHBondContact O-CB 3.21Å; D82-L86 PolarHBondContact O-N 3.24Å
83L92.6Very high84.4Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-65.6-45.7176.3-173.970000111.2I70 L76 S79 L80 A81 Q85 L86 M87 L172 R175 L176I70-L83 HydrophobicContact CG2-CD2 4.04Å; L76-L83 HydrophobicContact CD1-CD1 4.48Å; L76-L83 HydrophobicContact CD1-CD2 4.08Å; L76-L83 HydrophobicContact CD2-CD2 4.16Å; S79-L83 PolarHBondContact O-N 3.43Å; L80-L83 PolarHBondContact O-N 3.01Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.06Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 2.73Å; L83-L86 PolarHBondContact O-N 2.99Å; L83-M87 HydrophobicContact CD1-CE 4.3Å; L83-M87 HydrophobicContact CD2-CE 3.87Å; L83-M87 HydrophobicContact CG-CE 3.85Å; L83-M87 HydrophobicContact CG-SD 4.35Å; L83-M87 WeakPolarHBondContact O-CG 3.37Å; L83-M87 PolarHBondContact O-N 3.25Å; L83-L172 HydrophobicContact CD1-CD1 3.58Å; L83-L172 HydrophobicContact CG-CD1 4.48Å; L83-R175 HydrophobicContact CD1-CB 4.33Å; L83-L176 HydrophobicContact CD1-CD2 4.09Å; L83-L176 HydrophobicContact CD1-CG 4.45Å; L83-L176 HydrophobicContact CD2-CD2 4.07Å
84G93.7Very high85.2Confident9 Ų948.4 Ų48.49%0.09326%0.259CS..Hα-helixtrans-60.6-40.3176.700000112.2M60 L80 A81 M87 L88M60-G84 WeakPolarHBondContact CE-O 3.1Å; L80-G84 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 3.48Å; G84-M87 PolarHBondContact O-N 3.41Å; G84-L88 WeakPolarHBondContact O-CB 3.38Å; G84-L88 PolarHBondContact O-N 3.41Å
85Q93.4Very high86.3Confident96 Ų9638.7 Ų38.745%0.44922%0.223SC..Hα-helixtrans-64.2-43.1175.1-17658.228.200111.9A81 L83 L88 Q89A81-Q85 WeakPolarHBondContact O-CB 3.32Å; A81-Q85 PolarHBondContact O-N 3Å; L83-Q85 VanDerWaalsContact C-N 3.31Å; L83-Q85 PolarHBondContact O-N 2.73Å; Q85-L88 PolarHBondContact O-N 2.67Å; Q85-Q89 VanDerWaalsContact O-CG 3.31Å; Q85-Q89 WeakPolarHBondContact O-CG 3.37Å; Q85-Q89 PolarHBondContact O-N 2.97Å
86L94.2Very high87.4Confident8 Ų836.3 Ų36.34%0.04221%0.209CC..Hα-helixtrans-65.8-39.5176.8-175.963.6000112D82 L83 L88 Q89 S90 D168 E171 L172D82-L86 WeakPolarHBondContact O-CB 3.21Å; D82-L86 PolarHBondContact O-N 3.24Å; L83-L86 PolarHBondContact O-N 2.99Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.49Å; L86-Q89 PolarHBondContact O-N 2.93Å; L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.16Å; L86-S90 PolarHBondContact O-OG 3.17Å; L86-D168 HydrophobicContact CD1-CB 4.03Å; L86-E171 HydrophobicContact CD1-CG 4.42Å; L86-E171 HydrophobicContact CD2-CB 4.37Å; L86-E171 HydrophobicContact CD2-CG 3.88Å; L86-L172 HydrophobicContact CD2-CB 3.94Å; L86-L172 HydrophobicContact CD2-CD1 4.28Å; L86-L172 HydrophobicContact CG-CB 4.11Å; L86-L172 HydrophobicContact CG-CD1 4.49Å
87M94.7Very high88.6Confident0 Ų035.6 Ų35.60%021%0.206CC..Hα-helixtrans-60.4-42.6172.2-72.9173.1172.700111.5L53 M60 I70 L83 G84 S90 K91 F99 L172 L176L53-M87 HydrophobicContact CD2-SD 3.4Å; L53-M87 WeakPolarHBondContact CD2-SD 3.46Å; M60-M87 HydrophobicContact CE-CB 3.56Å; I70-M87 HydrophobicContact CD1-CE 4.27Å; L83-M87 HydrophobicContact CD1-CE 4.3Å; L83-M87 HydrophobicContact CD2-CE 3.87Å; L83-M87 HydrophobicContact CG-CE 3.85Å; L83-M87 HydrophobicContact CG-SD 4.35Å; L83-M87 WeakPolarHBondContact O-CG 3.37Å; L83-M87 PolarHBondContact O-N 3.25Å; G84-M87 PolarHBondContact O-N 3.41Å; M87-S90 PolarHBondContact O-OG 3.36Å; M87-K91 WeakPolarHBondContact O-CB 3.23Å; M87-K91 PolarHBondContact O-N 2.88Å; M87-K91 VanDerWaalsContact O-N 3.1Å; M87-F99 HydrophobicContact CB-CD2 3.84Å; M87-F99 HydrophobicContact CB-CE2 3.82Å; M87-F99 HydrophobicContact CB-CG 4.42Å; M87-F99 HydrophobicContact CB-CZ 4.38Å; M87-F99 HydrophobicContact CE-CE2 4.39Å; M87-F99 HydrophobicContact CG-CD2 3.78Å; M87-F99 HydrophobicContact CG-CE2 3.78Å; M87-F99 HydrophobicContact SD-CD2 4.14Å; M87-F99 HydrophobicContact SD-CE2 3.56Å; M87-F99 VanDerWaalsContact SD-CE2 3.56Å; M87-F99 HydrophobicContact SD-CZ 4.43Å; M87-L172 HydrophobicContact CE-CD1 4.07Å; M87-L172 HydrophobicContact CG-CD1 3.65Å; M87-L172 HydrophobicContact CG-CD2 3.83Å; M87-L172 HydrophobicContact CG-CG 4.41Å; M87-L176 HydrophobicContact CE-CD1 4.37Å; M87-L176 HydrophobicContact CE-CD2 4.44Å
88L92.4Very high90.2Very high29 Ų2929.7 Ų29.715%0.15217%0.165CC..Hα-helixtrans-64.8-39.6177.2-178.561000112.4Y59 M60 G84 Q85 L86 K91Y59-L88 HydrophobicContact CD1-CD1 4.21Å; Y59-L88 HydrophobicContact CE1-CD1 3.58Å; Y59-L88 HydrophobicContact CE1-CD2 3.99Å; Y59-L88 HydrophobicContact CE1-CG 4.47Å; M60-L88 HydrophobicContact CE-CB 4.4Å; G84-L88 WeakPolarHBondContact O-CB 3.38Å; G84-L88 PolarHBondContact O-N 3.41Å; Q85-L88 PolarHBondContact O-N 2.67Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.49Å; L88-K91 HydrophobicContact CD1-CD 4.17Å; L88-K91 WeakPolarHBondContact O-CG 3.36Å
89Q91.1Very high91.4Very high70 Ų7028.9 Ų28.933%0.32716%0.159SC..Hα-helixtrans-68.8-49.2178-73.6168.1-26.200111.5Q85 L86 K91 L165Q85-Q89 VanDerWaalsContact O-CG 3.31Å; Q85-Q89 WeakPolarHBondContact O-CG 3.37Å; Q85-Q89 PolarHBondContact O-N 2.97Å; L86-Q89 PolarHBondContact O-N 2.93Å; Q89-K91 VanDerWaalsContact C-N 3.33Å; Q89-K91 PolarHBondContact O-N 3.11Å; Q89-L165 WeakPolarHBondContact O-CD2 3.15Å
90S91.8Very high92Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-75.5-13.7-176580000114.5L86 M87 F92 A93 L172L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.16Å; L86-S90 PolarHBondContact O-OG 3.17Å; M87-S90 PolarHBondContact O-OG 3.36Å; S90-F92 PolarHBondContact O-N 2.92Å; S90-A93 WeakPolarHBondContact O-CB 3.39Å; S90-A93 PolarHBondContact O-N 3Å; S90-L172 WeakPolarHBondContact OG-CD2 3.36Å
91K92Very high92.4Very high19 Ų1924.2 Ų24.28%0.08313%0.13CC..G310 helixtrans-52.7-34.2-168.274.6-179178.1-177.20115.3Y59 M60 M87 L88 Q89 A93 R94 T97 F99Y59-K91 PolarHBondContact O-NZ 3.45Å; M60-K91 VanDerWaalsContact O-CD 3.25Å; M60-K91 WeakPolarHBondContact O-CD 3.41Å; M87-K91 WeakPolarHBondContact O-CB 3.23Å; M87-K91 PolarHBondContact O-N 2.88Å; M87-K91 VanDerWaalsContact O-N 3.1Å; L88-K91 HydrophobicContact CD1-CD 4.17Å; L88-K91 WeakPolarHBondContact O-CG 3.36Å; Q89-K91 VanDerWaalsContact C-N 3.33Å; Q89-K91 PolarHBondContact O-N 3.11Å; K91-A93 VanDerWaalsContact C-N 3.28Å; K91-A93 PolarHBondContact O-N 2.79Å; K91-R94 PolarHBondContact O-N 3.36Å; K91-T97 HydrophobicContact CD-CG2 4.43Å; K91-T97 HydrophobicContact CG-CG2 4.29Å; K91-T97 VanDerWaalsContact O-CA 3.31Å; K91-T97 WeakPolarHBondContact O-CA 3.46Å; K91-F99 HydrophobicContact CB-CB 4.21Å; K91-F99 HydrophobicContact CB-CD1 4.07Å
92F89.5Confident92.7Very high40 Ų4020.7 Ų20.718%0.17510%0.101CC..G310 helixtrans-77-11.9-177.9-67-71.3000114S90 R94 T97 S118 F123 R126 L165S90-F92 PolarHBondContact O-N 2.92Å; F92-R94 PolarHBondContact O-N 3.27Å; F92-T97 HydrophobicContact CD1-CG2 3.77Å; F92-T97 HydrophobicContact CE1-CG2 3.77Å; F92-S118 WeakPolarHBondContact O-CB 3.48Å; F92-S118 PolarHBondContact O-OG 2.93Å; F92-F123 HydrophobicContact CB-CD2 4.1Å; F92-F123 HydrophobicContact CB-CE2 4.14Å; F92-R126 HydrophobicContact CD1-CB 4.48Å; F92-R126 HydrophobicContact CE1-CB 4.48Å; F92-L165 HydrophobicContact CB-CD1 3.92Å
93A90.6Very high93Very high0 Ų016.7 Ų16.70%08%0.08CC..G310 helixtrans-64.1-21.6171.500000112.6S90 K91 L117 S118 L165 R166 D169S90-A93 WeakPolarHBondContact O-CB 3.39Å; S90-A93 PolarHBondContact O-N 3Å; K91-A93 VanDerWaalsContact C-N 3.28Å; K91-A93 PolarHBondContact O-N 2.79Å; A93-L117 CarbonylContact O-C 3.59Å; A93-L117 VanDerWaalsContact O-CA 3.3Å; A93-L117 WeakPolarHBondContact O-CA 3.41Å; A93-S118 PolarHBondContact O-N 2.91Å; A93-L165 HydrophobicContact CB-CB 4.19Å; A93-L165 WeakPolarHBondContact CB-O 3.49Å; A93-R166 HydrophobicContact CB-CG 4.16Å; A93-D169 HydrophobicContact CB-CB 3.82Å
94R92.3Very high93.1Very high0 Ų016.9 Ų16.90%08%0.08CC..BIsolated β-bridgetrans-114.9141.5-173.5-61-73.2178.8172.6-7.8111.5K91 F92 R96 T97 R98 S115 T116 S118 D169 E201K91-R94 PolarHBondContact O-N 3.36Å; F92-R94 PolarHBondContact O-N 3.27Å; R94-R96 PolarHBondContact O-N 3.48Å; R94-T97 PolarHBondContact O-N 2.99Å; R94-T97 VanDerWaalsContact O-N 3.16Å; R94-R98 WeakPolarHBondContact CB-O 3.41Å; R94-S115 WeakPolarHBondContact CD-O 3.33Å; R94-S115 PolarHBondContact NH1-O 3.12Å; R94-T116 WeakPolarHBondContact CA-O 3.4Å; R94-S118 PolarHBondContact O-OG 3.46Å; R94-D169 WeakPolarHBondContact CG-OD1 3.19Å; R94-D169 IonicContact CZ-OD1 3.34Å; R94-D169 IonicContact CZ-OD2 2.75Å; R94-D169 VanDerWaalsContact CZ-OD2 3.3Å; R94-D169 VanDerWaalsContact NE-CG 3.34Å; R94-D169 IonicContact NE-OD1 3.52Å; R94-D169 PolarHBondContact NE-OD1 3.05Å; R94-D169 IonicContact NE-OD2 2.87Å; R94-D169 PolarHBondContact NE-OD2 3.14Å; R94-D169 VanDerWaalsContact NE-OD2 3.08Å; R94-D169 IonicContact NH2-OD1 2.77Å; R94-D169 IonicContact NH2-OD2 2.99Å; R94-D169 PolarHBondContact NH2-OD2 2.88Å; R94-E201 IonicContact CZ-OE1 2.77Å; R94-E201 VanDerWaalsContact CZ-OE1 3.29Å; R94-E201 IonicContact NH1-OE1 3.2Å; R94-E201 PolarHBondContact NH1-OE1 3.22Å; R94-E201 IonicContact NH1-OE2 2.76Å; R94-E201 IonicContact NH2-OE1 3.65Å; R94-E201 PolarHBondContact NH2-OE1 2.83Å; R94-E201 VanDerWaalsContact NH2-OE1 3.08Å
95C89.4Confident93.1Very high1 Ų117 Ų171%0.0078%0.08CC..G310 helixtrans-54.9140.3-180-67.10000110.9T97 R98 S115 T116 L117 S118 E122 S198C95-T97 PolarHBondContact O-N 2.81Å; C95-T97 VanDerWaalsContact O-N 3.1Å; C95-R98 PolarHBondContact O-N 2.92Å; C95-R98 VanDerWaalsContact O-N 3.12Å; C95-S115 PolarHBondContact N-OG 2.87Å; C95-S115 VanDerWaalsContact N-OG 3.09Å; C95-S115 WeakPolarHBondContact O-CB 3.29Å; C95-S115 PolarHBondContact O-OG 2.93Å; C95-T116 PolarHBondContact N-O 2.8Å; C95-L117 PolarHBondContact SG-O 2.84Å; C95-S118 PolarHBondContact N-OG 3.14Å; C95-E122 VanDerWaalsContact CA-OE1 3.31Å; C95-E122 WeakPolarHBondContact CA-OE1 3.48Å; C95-E122 WeakPolarHBondContact CB-OE2 3.5Å; C95-E122 PolarHBondContact SG-OE2 2.91Å; C95-S198 WeakPolarHBondContact SG-CB 3.15Å
96R86.9Confident93.1Very high57 Ų5713 Ų1322%0.2156%0.061CC..G310 helixtrans57.122.9179.3-59.8175.6172.981.3-2.7114.9R94 R98 E122 R126 D137 S303R94-R96 PolarHBondContact O-N 3.48Å; R96-R98 HydrophobicContact CB-CG 4.11Å; R96-R98 PolarHBondContact O-N 3.46Å; R96-R98 VanDerWaalsContact O-N 3.08Å; R96-E122 PolarHBondContact N-OE1 2.96Å; R96-R126 VanDerWaalsContact CA-CZ 3.48Å; R96-R126 VanDerWaalsContact CA-NH2 3.33Å; R96-R126 VanDerWaalsContact CG-NH2 3.35Å; R96-D137 IonicContact NE-OD1 3.66Å; R96-S303 PolarHBondContact NH1-OG 3.45Å
97T91.4Very high92.8Very high19 Ų1917.5 Ų17.512%0.1178%0.081CC..G310 helixtrans53.424.9-174.173.30000113.8M60 C61 K91 F92 R94 C95 F99M60-T97 PolarHBondContact O-OG1 2.97Å; C61-T97 WeakPolarHBondContact CB-O 3.46Å; C61-T97 PolarHBondContact SG-O 3.47Å; K91-T97 HydrophobicContact CD-CG2 4.43Å; K91-T97 HydrophobicContact CG-CG2 4.29Å; K91-T97 VanDerWaalsContact O-CA 3.31Å; K91-T97 WeakPolarHBondContact O-CA 3.46Å; F92-T97 HydrophobicContact CD1-CG2 3.77Å; F92-T97 HydrophobicContact CE1-CG2 3.77Å; R94-T97 PolarHBondContact O-N 2.99Å; R94-T97 VanDerWaalsContact O-N 3.16Å; C95-T97 PolarHBondContact O-N 2.81Å; C95-T97 VanDerWaalsContact O-N 3.1Å; T97-F99 VanDerWaalsContact O-CD1 3.32Å; T97-F99 WeakPolarHBondContact O-CD1 3.46Å; T97-F99 PolarHBondContact O-N 3.4Å
98R94.7Very high92.5Very high0 Ų020.8 Ų20.80%010%0.096CC..  trans-81.270.8178.1-69176.569.688.8-4.6109.2H63 Y64 R94 C95 R96 C114 S115 S303 G304 F346H63-R98 PolarHBondContact O-NH1 3.3Å; Y64-R98 HydrophobicContact CE1-CB 3.98Å; Y64-R98 HydrophobicContact CE1-CG 3.89Å; Y64-R98 WeakPolarHBondContact OH-CA 3.37Å; Y64-R98 WeakPolarHBondContact OH-CB 3.35Å; Y64-R98 PolarHBondContact OH-O 3.47Å; R94-R98 WeakPolarHBondContact CB-O 3.41Å; C95-R98 PolarHBondContact O-N 2.92Å; C95-R98 VanDerWaalsContact O-N 3.12Å; R96-R98 HydrophobicContact CB-CG 4.11Å; R96-R98 PolarHBondContact O-N 3.46Å; R96-R98 VanDerWaalsContact O-N 3.08Å; R98-C114 WeakPolarHBondContact O-CB 3.46Å; R98-S115 PolarHBondContact O-N 2.77Å; R98-S115 VanDerWaalsContact O-N 3.12Å; R98-S115 PolarHBondContact O-OG 2.8Å; R98-S303 WeakPolarHBondContact CD-O 3.44Å; R98-S303 PolarHBondContact NE-O 3.17Å; R98-G304 PolarHBondContact NH2-O 3.42Å; R98-F346 VanDerWaalsContact CZ-O 3.22Å; R98-F346 PolarHBondContact NH1-O 2.93Å; R98-F346 PolarHBondContact NH2-O 3.42Å
99F95.6Very high92.6Very high0 Ų020.5 Ų20.50%09%0.093CC..  trans-60.8163.5-179.862.2-96.4000112.4M60 C61 Y64 I68 M87 K91 T97 V101M60-F99 HydrophobicContact CB-CE1 3.68Å; M60-F99 HydrophobicContact CB-CZ 4.13Å; M60-F99 HydrophobicContact CE-CE1 4.39Å; M60-F99 HydrophobicContact CE-CZ 4.03Å; C61-F99 HydrophobicContact CB-CD1 4.21Å; C61-F99 HydrophobicContact CB-CE1 3.83Å; Y64-F99 HydrophobicContact CD2-CD1 4.35Å; Y64-F99 AromaticContact CD2-CE1 3.76Å; Y64-F99 HydrophobicContact CD2-CE1 3.76Å; Y64-F99 HydrophobicContact CD2-CE2 4.26Å; Y64-F99 AromaticContact CD2-CZ 3.72Å; Y64-F99 HydrophobicContact CD2-CZ 3.72Å; Y64-F99 HydrophobicContact CE2-CD1 4.05Å; Y64-F99 HydrophobicContact CE2-CD2 4.2Å; Y64-F99 AromaticContact CE2-CE1 3.91Å; Y64-F99 HydrophobicContact CE2-CE1 3.91Å; Y64-F99 HydrophobicContact CE2-CE2 4.06Å; Y64-F99 HydrophobicContact CE2-CG 4.18Å; Y64-F99 AromaticContact CE2-CZ 3.92Å; Y64-F99 HydrophobicContact CE2-CZ 3.92Å; Y64-F99 WeakPolarHBondContact CE2-O 3.28Å; Y64-F99 PolarHBondContact OH-O 3.12Å; I68-F99 HydrophobicContact CD1-CZ 4.2Å; M87-F99 HydrophobicContact CB-CD2 3.84Å; M87-F99 HydrophobicContact CB-CE2 3.82Å; M87-F99 HydrophobicContact CB-CG 4.42Å; M87-F99 HydrophobicContact CB-CZ 4.38Å; M87-F99 HydrophobicContact CE-CE2 4.39Å; M87-F99 HydrophobicContact CG-CD2 3.78Å; M87-F99 HydrophobicContact CG-CE2 3.78Å; M87-F99 HydrophobicContact SD-CD2 4.14Å; M87-F99 HydrophobicContact SD-CE2 3.56Å; M87-F99 VanDerWaalsContact SD-CE2 3.56Å; M87-F99 HydrophobicContact SD-CZ 4.43Å; K91-F99 HydrophobicContact CB-CB 4.21Å; K91-F99 HydrophobicContact CB-CD1 4.07Å; T97-F99 VanDerWaalsContact O-CD1 3.32Å; T97-F99 WeakPolarHBondContact O-CD1 3.46Å; T97-F99 PolarHBondContact O-N 3.4Å; F99-V101 HydrophobicContact CD2-CB 4.36Å; F99-V101 HydrophobicContact CE2-CB 4.04Å; F99-V101 HydrophobicContact CE2-CG2 4.37Å; F99-V101 PolarHBondContact O-N 3.18Å
100V97.2Very high92.8Very high0 Ų017.3 Ų17.30%08%0.078CC..  trans-66.8122.3-179.5-175.80000111.1C112 C114 L172 I173 L176 L298V100-C112 HydrophobicContact CG1-CB 3.85Å; V100-C114 HydrophobicContact CB-CB 4.49Å; V100-C114 HydrophobicContact CG2-CB 3.93Å; V100-L172 HydrophobicContact CB-CD2 4Å; V100-L172 HydrophobicContact CB-CG 4.34Å; V100-I173 HydrophobicContact CB-CG1 4.39Å; V100-I173 HydrophobicContact CG1-CG1 4.32Å; V100-I173 HydrophobicContact CG2-CD1 4.24Å; V100-I173 HydrophobicContact CG2-CG1 3.84Å; V100-L176 HydrophobicContact CB-CD1 4.32Å; V100-L176 HydrophobicContact CG1-CD1 3.69Å; V100-L298 HydrophobicContact CG1-CD1 3.66Å; V100-L298 HydrophobicContact CG1-CD2 4.26Å; V100-L298 HydrophobicContact CG2-CD1 4.24Å; V100-L298 HydrophobicContact CG2-CD2 3.89Å
101V96.5Very high93Very high0 Ų017.3 Ų17.30%08%0.078CC..EExtended strand (participates in β ladder)trans-139.2139.7179.7670000111.4Y64 I68 I70 F99 C112 R113 F346Y64-V101 HydrophobicContact CD2-CG1 4.24Å; Y64-V101 HydrophobicContact CE2-CB 4.22Å; Y64-V101 HydrophobicContact CE2-CG1 3.61Å; I68-V101 HydrophobicContact CG2-CG2 3.46Å; I68-V101 VanDerWaalsContact CG2-CG2 3.46Å; I70-V101 HydrophobicContact CD1-CG2 4.05Å; F99-V101 HydrophobicContact CD2-CB 4.36Å; F99-V101 HydrophobicContact CE2-CB 4.04Å; F99-V101 HydrophobicContact CE2-CG2 4.37Å; F99-V101 PolarHBondContact O-N 3.18Å; V101-C112 CarbonylContact O-C 3.29Å; V101-C112 VanDerWaalsContact O-CA 3.26Å; V101-C112 WeakPolarHBondContact O-CA 3.2Å; V101-R113 HydrophobicContact CG1-CG 3.81Å; V101-R113 PolarHBondContact N-O 3.08Å; V101-R113 VanDerWaalsContact N-O 3.08Å; V101-R113 PolarHBondContact O-N 2.92Å; V101-F346 HydrophobicContact CG1-CE1 3.7Å; V101-F346 HydrophobicContact CG1-CZ 4.15Å
102P95.9Very high93.3Very high0 Ų016.4 Ų16.40%07%0.074CC..EExtended strand (participates in β ladder)trans-62.1136.4172-24.336.1000112.2P71 L176P71-P102 HydrophobicContact CG-CB 4.1Å; P102-L176 HydrophobicContact CG-CD1 4.41Å; P102-L176 HydrophobicContact CG-CD2 3.65Å
103S96.1Very high93.8Very high2 Ų214.5 Ų14.51%0.0147%0.066CC..EExtended strand (participates in β ladder)trans-92.8-37.9168.9-49.30000111.1I111 R113 R316S103-I111 WeakPolarHBondContact CB-O 3.36Å; S103-I111 PolarHBondContact N-O 3.31Å; S103-I111 PolarHBondContact OG-O 3.18Å; S103-R113 WeakPolarHBondContact OG-CD 3.32Å; S103-R113 WeakPolarHBondContact OG-CG 3.34Å; S103-R316 PolarHBondContact O-NH2 3.22Å
104F95.3Very high94.1Very high4 Ų414.5 Ų14.52%0.0187%0.066CC..EExtended strand (participates in β ladder)trans-168.2174.717358.6-88.6000109.7I111 I312 L315 R316 L319 M325F104-I111 HydrophobicContact CD1-CB 4.39Å; F104-I111 HydrophobicContact CD2-CB 4.27Å; F104-I111 HydrophobicContact CD2-CD1 3.55Å; F104-I111 HydrophobicContact CD2-CG1 4.09Å; F104-I111 HydrophobicContact CE1-CB 4.16Å; F104-I111 HydrophobicContact CE1-CG1 4.49Å; F104-I111 HydrophobicContact CE1-CG2 4.18Å; F104-I111 HydrophobicContact CE2-CB 4.02Å; F104-I111 HydrophobicContact CE2-CD1 3.34Å; F104-I111 HydrophobicContact CE2-CG1 3.56Å; F104-I111 HydrophobicContact CG-CB 4.47Å; F104-I111 HydrophobicContact CG-CD1 4.46Å; F104-I111 HydrophobicContact CZ-CB 3.98Å; F104-I111 HydrophobicContact CZ-CD1 4.13Å; F104-I111 HydrophobicContact CZ-CG1 3.81Å; F104-I111 HydrophobicContact CZ-CG2 4.13Å; F104-I111 PolarHBondContact O-N 3.49Å; F104-I312 HydrophobicContact CE1-CG2 4.08Å; F104-L315 HydrophobicContact CZ-CB 3.87Å; F104-R316 VanDerWaalsContact CD1-NH2 3.32Å; F104-R316 HydrophobicContact CE1-CB 3.92Å; F104-R316 HydrophobicContact CE1-CG 4.45Å; F104-R316 HydrophobicContact CZ-CB 4.14Å; F104-L319 HydrophobicContact CE2-CD1 3.63Å; F104-L319 HydrophobicContact CZ-CD1 4.29Å; F104-M325 HydrophobicContact CB-CE 3.56Å; F104-M325 HydrophobicContact CB-SD 4.49Å; F104-M325 HydrophobicContact CD2-CE 3.37Å; F104-M325 HydrophobicContact CD2-SD 3.58Å; F104-M325 VanDerWaalsContact CD2-SD 3.58Å; F104-M325 HydrophobicContact CE2-CE 4.11Å; F104-M325 HydrophobicContact CE2-SD 4.16Å; F104-M325 HydrophobicContact CG-CE 3.6Å; F104-M325 HydrophobicContact CG-SD 4.37Å
105S93.7Very high94.2Very high13 Ų1314.5 Ų14.59%0.0917%0.066CC..EExtended strand (participates in β ladder)trans-129.2139.8175.9164.30000110.3T73 K109 M325T73-S105 WeakPolarHBondContact CG2-OG 3.35Å; S105-K109 WeakPolarHBondContact CA-O 3.41Å; S105-M325 VanDerWaalsContact O-SD 3.38Å
106F92.8Very high94.4Very high10 Ų1014.5 Ų14.54%0.0447%0.066CC..EExtended strand (participates in β ladder)trans-129.7129.3172.6172.1-103.9000109.4H108 K109 I111 L290 Y291 L319 L324 M325 L379F106-H108 PolarHBondContact O-N 2.79Å; F106-K109 PolarHBondContact N-O 3.03Å; F106-K109 WeakPolarHBondContact O-CB 3.3Å; F106-K109 PolarHBondContact O-N 3.47Å; F106-I111 HydrophobicContact CB-CD1 4.2Å; F106-L290 HydrophobicContact CB-CD1 4.35Å; F106-L290 HydrophobicContact CB-CD2 4.15Å; F106-L290 HydrophobicContact CB-CG 4.48Å; F106-L290 HydrophobicContact CD1-CD1 4.19Å; F106-L290 HydrophobicContact CD1-CD2 3.82Å; F106-L290 HydrophobicContact CD1-CG 3.68Å; F106-L290 HydrophobicContact CE1-CG 4.42Å; F106-L290 HydrophobicContact CG-CD2 4.27Å; F106-Y291 HydrophobicContact CE1-CD2 4.42Å; F106-L319 HydrophobicContact CB-CD1 4.1Å; F106-L319 HydrophobicContact CD1-CD2 4.23Å; F106-L319 HydrophobicContact CD2-CD1 4.42Å; F106-L319 HydrophobicContact CD2-CD2 3.98Å; F106-L319 HydrophobicContact CE1-CD2 4.17Å; F106-L319 HydrophobicContact CE2-CD2 4Å; F106-L319 HydrophobicContact CG-CD1 4.18Å; F106-L319 HydrophobicContact CG-CD2 4.09Å; F106-L319 HydrophobicContact CZ-CD2 4.04Å; F106-L324 HydrophobicContact CE2-CB 3.83Å; F106-L324 HydrophobicContact CZ-CB 4.39Å; F106-L324 HydrophobicContact CZ-CD1 4.26Å; F106-M325 HydrophobicContact CB-SD 4.35Å; F106-L379 HydrophobicContact CE1-CD1 4.32Å; F106-L379 HydrophobicContact CZ-CD1 4.41Å
107K89Confident94.6Very high104 Ų10411.8 Ų11.845%0.4526%0.056SC..THydrogen-bonded Turntrans46.744.3-175.7-66.9-171.7173-168.80113.8K109K107-K109 PolarHBondContact O-N 3.46Å
108H88.5Confident94.4Very high68 Ų6810.9 Ų10.932%0.3155%0.05SC..THydrogen-bonded Turntrans63.710.6-177.3-46.7-59.5000116R74 F106 N177R74-H108 PolarHBondContact NE-NE2 2.83Å; F106-H108 PolarHBondContact O-N 2.79Å; H108-N177 PolarHBondContact O-ND2 3.31Å
109K93.7Very high93.8Very high24 Ų2411 Ų1110%0.1045%0.051CC..EExtended strand (participates in β ladder)trans-99.4121.5172.5-64.2170175.6-178.80108.3S105 F106 K107 I111 L290 Y291 G293S105-K109 WeakPolarHBondContact CA-O 3.41Å; F106-K109 PolarHBondContact N-O 3.03Å; F106-K109 WeakPolarHBondContact O-CB 3.3Å; F106-K109 PolarHBondContact O-N 3.47Å; K107-K109 PolarHBondContact O-N 3.46Å; K109-I111 WeakPolarHBondContact O-CD1 3.42Å; K109-L290 HydrophobicContact CB-CD1 3.91Å; K109-L290 HydrophobicContact CD-CD1 4.33Å; K109-L290 WeakPolarHBondContact CD-O 3.15Å; K109-L290 WeakPolarHBondContact CE-O 3.42Å; K109-L290 PolarHBondContact NZ-O 3.29Å; K109-Y291 PolarHBondContact NZ-O 3.34Å; K109-G293 WeakPolarHBondContact CE-O 3.26Å; K109-G293 PolarHBondContact NZ-O 3.13Å
110N94.8Very high92.9Very high2 Ų213.1 Ų13.11%0.0117%0.065CC..EExtended strand (participates in β ladder)trans-77135177.7-72.6-41.5000110.4T73 L176 G296 L297T73-N110 WeakPolarHBondContact CG2-OD1 3.46Å; N110-L176 WeakPolarHBondContact CB-O 3.23Å; N110-L176 PolarHBondContact ND2-O 3.41Å; N110-G296 CarbonylContact O-C 3.54Å; N110-G296 WeakPolarHBondContact O-CA 3.13Å; N110-L297 PolarHBondContact O-N 2.97Å
111I97.6Very high91.9Very high0 Ų014.1 Ų14.10%07%0.071CC..EExtended strand (participates in β ladder)trans-98.8101.1164.9-58.873000105.9S103 F104 F106 K109 L290 L299 I312 L315S103-I111 WeakPolarHBondContact CB-O 3.36Å; S103-I111 PolarHBondContact N-O 3.31Å; S103-I111 PolarHBondContact OG-O 3.18Å; F104-I111 HydrophobicContact CD1-CB 4.39Å; F104-I111 HydrophobicContact CD2-CB 4.27Å; F104-I111 HydrophobicContact CD2-CD1 3.55Å; F104-I111 HydrophobicContact CD2-CG1 4.09Å; F104-I111 HydrophobicContact CE1-CB 4.16Å; F104-I111 HydrophobicContact CE1-CG1 4.49Å; F104-I111 HydrophobicContact CE1-CG2 4.18Å; F104-I111 HydrophobicContact CE2-CB 4.02Å; F104-I111 HydrophobicContact CE2-CD1 3.34Å; F104-I111 HydrophobicContact CE2-CG1 3.56Å; F104-I111 HydrophobicContact CG-CB 4.47Å; F104-I111 HydrophobicContact CG-CD1 4.46Å; F104-I111 HydrophobicContact CZ-CB 3.98Å; F104-I111 HydrophobicContact CZ-CD1 4.13Å; F104-I111 HydrophobicContact CZ-CG1 3.81Å; F104-I111 HydrophobicContact CZ-CG2 4.13Å; F104-I111 PolarHBondContact O-N 3.49Å; F106-I111 HydrophobicContact CB-CD1 4.2Å; K109-I111 WeakPolarHBondContact O-CD1 3.42Å; I111-L290 HydrophobicContact CD1-CD1 3.6Å; I111-L290 HydrophobicContact CD1-CD2 4.04Å; I111-L290 HydrophobicContact CD1-CG 4.49Å; I111-L290 HydrophobicContact CG1-CD1 4.03Å; I111-L290 HydrophobicContact CG1-CD2 4.25Å; I111-L299 HydrophobicContact CG2-CD1 4.34Å; I111-L299 HydrophobicContact CG2-CG 4.44Å; I111-I312 HydrophobicContact CG2-CD1 3.41Å; I111-I312 VanDerWaalsContact CG2-CD1 3.41Å; I111-L315 HydrophobicContact CG2-CD1 4.08Å
112C98.2Very high91.1Very high0 Ų014.3 Ų14.30%07%0.072CC..EExtended strand (participates in β ladder)trans-95.4157.3-177.7-61.60000111.8V100 V101 V178 L297 L298 L299V100-C112 HydrophobicContact CG1-CB 3.85Å; V101-C112 CarbonylContact O-C 3.29Å; V101-C112 VanDerWaalsContact O-CA 3.26Å; V101-C112 WeakPolarHBondContact O-CA 3.2Å; C112-V178 HydrophobicContact CB-CG2 4.15Å; C112-L297 PolarHBondContact N-O 3.38Å; C112-L298 HydrophobicContact CB-CD1 3.72Å; C112-L299 PolarHBondContact O-N 2.91Å
113R98.4Very high90.2Very high0 Ų014.5 Ų14.50%07%0.072CC..EExtended strand (participates in β ladder)trans-131149.8174.966.1-173.8-60.4164.61.8110.6V101 S103 L299 T308 I312 D342 F346V101-R113 HydrophobicContact CG1-CG 3.81Å; V101-R113 PolarHBondContact N-O 3.08Å; V101-R113 VanDerWaalsContact N-O 3.08Å; V101-R113 PolarHBondContact O-N 2.92Å; S103-R113 WeakPolarHBondContact OG-CD 3.32Å; S103-R113 WeakPolarHBondContact OG-CG 3.34Å; R113-L299 WeakPolarHBondContact CA-O 3.35Å; R113-T308 HydrophobicContact CB-CG2 3.7Å; R113-I312 HydrophobicContact CB-CD1 4.48Å; R113-D342 PolarHBondContact NH1-O 2.86Å; R113-D342 PolarHBondContact NH2-O 3.45Å; R113-F346 HydrophobicContact CG-CE1 4.39Å; R113-F346 VanDerWaalsContact NH1-CB 3.31Å; R113-F346 VanDerWaalsContact NH2-CB 3.27Å
114C97.3Very high89.2Confident1 Ų116.2 Ų16.21%0.0078%0.079CC..EExtended strand (participates in β ladder)trans-159.8-176.4170.965.40000111.3R98 V100 L298 L299 H300 G304R98-C114 WeakPolarHBondContact O-CB 3.46Å; V100-C114 HydrophobicContact CB-CB 4.49Å; V100-C114 HydrophobicContact CG2-CB 3.93Å; C114-L298 HydrophobicContact CB-CD1 4.18Å; C114-L298 VanDerWaalsContact SG-CD1 3.52Å; C114-L299 PolarHBondContact N-O 2.97Å; C114-H300 WeakPolarHBondContact O-CB 3.09Å; C114-H300 VanDerWaalsContact SG-CB 3.53Å; C114-G304 VanDerWaalsContact O-CA 3.32Å; C114-G304 WeakPolarHBondContact O-CA 3.47Å
115S94.8Very high88.2Confident0 Ų016 Ų160%08%0.078CC..EExtended strand (participates in β ladder)trans-93176158.963.80000111R94 C95 R98R94-S115 WeakPolarHBondContact CD-O 3.33Å; R94-S115 PolarHBondContact NH1-O 3.12Å; C95-S115 PolarHBondContact N-OG 2.87Å; C95-S115 VanDerWaalsContact N-OG 3.09Å; C95-S115 WeakPolarHBondContact O-CB 3.29Å; C95-S115 PolarHBondContact O-OG 2.93Å; R98-S115 PolarHBondContact O-N 2.77Å; R98-S115 VanDerWaalsContact O-N 3.12Å; R98-S115 PolarHBondContact O-OG 2.8Å
116T93.4Very high87.2Confident0 Ų016.1 Ų16.10%08%0.077CC..  trans-71.7177171.8-165.90000112.3R94 C95 M185 S198 S199 C301 V302R94-T116 WeakPolarHBondContact CA-O 3.4Å; C95-T116 PolarHBondContact N-O 2.8Å; T116-M185 WeakPolarHBondContact CB-SD 3.44Å; T116-M185 HydrophobicContact CG2-CE 4.26Å; T116-M185 HydrophobicContact CG2-SD 3.78Å; T116-M185 PolarHBondContact OG1-SD 2.96Å; T116-S198 WeakPolarHBondContact CG2-OG 3.39Å; T116-S199 PolarHBondContact OG1-O 2.68Å; T116-C301 PolarHBondContact N-O 3.18Å; T116-V302 WeakPolarHBondContact CG2-O 3.48Å; T116-V302 PolarHBondContact N-O 2.93Å
117L91.9Very high86Confident0 Ų018.6 Ų18.60%09%0.088CC..EExtended strand (participates in β ladder)trans-71.6138.5-178.6-49.7171.3000111.8A93 C95 G119 S198 S199 E201 Y209A93-L117 CarbonylContact O-C 3.59Å; A93-L117 VanDerWaalsContact O-CA 3.3Å; A93-L117 WeakPolarHBondContact O-CA 3.41Å; C95-L117 PolarHBondContact SG-O 2.84Å; L117-G119 PolarHBondContact O-N 2.98Å; L117-S198 CarbonylContact O-C 3.55Å; L117-S198 VanDerWaalsContact O-CA 3.28Å; L117-S198 WeakPolarHBondContact O-CA 3.38Å; L117-S198 WeakPolarHBondContact O-CB 3.37Å; L117-S199 WeakPolarHBondContact CB-O 3.3Å; L117-S199 PolarHBondContact N-O 2.77Å; L117-S199 VanDerWaalsContact N-O 3.15Å; L117-S199 PolarHBondContact O-N 2.86Å; L117-E201 HydrophobicContact CD1-CG 4.16Å; L117-E201 HydrophobicContact CG-CG 4.29Å; L117-Y209 HydrophobicContact CD1-CD2 4.38Å; L117-Y209 HydrophobicContact CD1-CE2 3.59Å; L117-Y209 HydrophobicContact CD2-CE1 4.39Å; L117-Y209 HydrophobicContact CD2-CE2 4.21Å; L117-Y209 WeakPolarHBondContact CD2-OH 3.08Å
118S86.8Confident84.9Confident0 Ų015.1 Ų15.10%08%0.076CC..EExtended strand (participates in β ladder)trans-60.4131.6168.7-65.80000110.3F92 A93 R94 C95 R166F92-S118 WeakPolarHBondContact O-CB 3.48Å; F92-S118 PolarHBondContact O-OG 2.93Å; A93-S118 PolarHBondContact O-N 2.91Å; R94-S118 PolarHBondContact O-OG 3.46Å; C95-S118 PolarHBondContact N-OG 3.14Å; S118-R166 PolarHBondContact O-NH2 3.2Å
119G82.1Confident83.9Confident2 Ų212.1 Ų12.12%0.0216%0.063CC..PPolyproline II helixtrans-77.1164.7164.600000111.1L117 L121 E122 F123 I197L117-G119 PolarHBondContact O-N 2.98Å; G119-L121 VanDerWaalsContact C-N 3.28Å; G119-L121 PolarHBondContact O-N 3.43Å; G119-E122 PolarHBondContact O-N 3.44Å; G119-F123 WeakPolarHBondContact O-CB 3.04Å; G119-F123 PolarHBondContact O-N 3.38Å; G119-I197 VanDerWaalsContact CA-O 3.27Å; G119-I197 WeakPolarHBondContact CA-O 3.38Å; G119-I197 PolarHBondContact N-O 2.81Å
120P77.6Confident82.5Confident45 Ų4515.1 Ų15.129%0.2928%0.083SC..Hα-helixtrans-53.8-41.7179.8-27.635.2000113.3F123 Y124 L162P120-F123 PolarHBondContact O-N 2.88Å; P120-Y124 HydrophobicContact CB-CD2 4.23Å; P120-Y124 HydrophobicContact CB-CE2 4.16Å; P120-Y124 WeakPolarHBondContact O-CD2 3.45Å; P120-Y124 PolarHBondContact O-N 3.41Å; P120-L162 HydrophobicContact CG-CD2 4.22Å
121L75Confident80.7Confident22 Ų2219.4 Ų19.412%0.11512%0.119CC..Hα-helixtrans-65-45.9-179.9-17867.5000112G119 F123 G125 V195 A510 V511G119-L121 VanDerWaalsContact C-N 3.28Å; G119-L121 PolarHBondContact O-N 3.43Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.23Å; L121-G125 WeakPolarHBondContact O-CA 3.28Å; L121-G125 PolarHBondContact O-N 2.9Å; L121-V195 HydrophobicContact CB-CG1 4Å; L121-V195 HydrophobicContact CD2-CB 3.95Å; L121-V195 HydrophobicContact CD2-CG1 3.47Å; L121-V195 VanDerWaalsContact CD2-CG1 3.47Å; L121-V195 HydrophobicContact CD2-CG2 4.31Å; L121-V195 HydrophobicContact CG-CG1 4.29Å; L121-A510 HydrophobicContact CD1-CB 4Å; L121-V511 HydrophobicContact CD1-CG2 4.11Å
122E79.6Confident78.4Confident4 Ų422.1 Ų22.12%0.01914%0.141CC..Hα-helixtrans-61.3-43.2177.1-179.2166.6-175.800110.6C95 R96 G119 R126 F136 I197C95-E122 VanDerWaalsContact CA-OE1 3.31Å; C95-E122 WeakPolarHBondContact CA-OE1 3.48Å; C95-E122 WeakPolarHBondContact CB-OE2 3.5Å; C95-E122 PolarHBondContact SG-OE2 2.91Å; R96-E122 PolarHBondContact N-OE1 2.96Å; G119-E122 PolarHBondContact O-N 3.44Å; E122-R126 HydrophobicContact CG-CG 4.43Å; E122-R126 VanDerWaalsContact O-CB 3.28Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 VanDerWaalsContact O-CG 3.28Å; E122-R126 WeakPolarHBondContact O-CG 3.34Å; E122-R126 PolarHBondContact O-N 2.82Å; E122-R126 IonicContact OE1-CZ 3.54Å; E122-R126 VanDerWaalsContact OE1-CZ 3.32Å; E122-R126 IonicContact OE1-NE 3.94Å; E122-R126 PolarHBondContact OE1-NE 3.47Å; E122-R126 IonicContact OE1-NH2 3.08Å; E122-R126 PolarHBondContact OE1-NH2 2.82Å; E122-F136 HydrophobicContact CG-CE1 4.05Å; E122-I197 HydrophobicContact CB-CG2 4.01Å; E122-I197 WeakPolarHBondContact OE2-CG2 3.08Å
123F76.9Confident75.6Confident3 Ų324.4 Ų24.41%0.01317%0.165CC..Hα-helixtrans-60.7-57.6178.6171.1-118.5000112.5F92 G119 P120 L121 G125 R126 Q127 Q160 L162 L165F92-F123 HydrophobicContact CB-CD2 4.1Å; F92-F123 HydrophobicContact CB-CE2 4.14Å; G119-F123 WeakPolarHBondContact O-CB 3.04Å; G119-F123 PolarHBondContact O-N 3.38Å; P120-F123 PolarHBondContact O-N 2.88Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.23Å; F123-G125 VanDerWaalsContact C-N 3.33Å; F123-G125 PolarHBondContact O-N 3.22Å; F123-R126 PolarHBondContact O-N 3.03Å; F123-Q127 HydrophobicContact CD2-CG 4.38Å; F123-Q127 HydrophobicContact CE2-CG 3.91Å; F123-Q127 HydrophobicContact CZ-CG 4.2Å; F123-Q127 PolarHBondContact O-N 2.84Å; F123-Q160 WeakPolarHBondContact CZ-O 3.42Å; F123-L162 HydrophobicContact CB-CD1 4.15Å; F123-L162 HydrophobicContact CD1-CB 4.07Å; F123-L162 HydrophobicContact CD1-CD1 4.31Å; F123-L162 HydrophobicContact CD2-CD1 4.35Å; F123-L162 HydrophobicContact CE1-CB 4.14Å; F123-L162 HydrophobicContact CG-CD1 4.01Å; F123-L165 HydrophobicContact CD2-CD1 3.93Å; F123-L165 HydrophobicContact CE2-CD1 3.16Å; F123-L165 HydrophobicContact CZ-CD1 3.55Å
124Y75Confident73.1Confident38 Ų3827.3 Ų27.315%0.14918%0.178CC..Hα-helixtrans-67.3-36.1-178.6-69.1-63.3000111.8P120 Q127 V128 V513 V514 N517P120-Y124 HydrophobicContact CB-CD2 4.23Å; P120-Y124 HydrophobicContact CB-CE2 4.16Å; P120-Y124 WeakPolarHBondContact O-CD2 3.45Å; P120-Y124 PolarHBondContact O-N 3.41Å; Y124-Q127 PolarHBondContact O-N 3.44Å; Y124-V128 VanDerWaalsContact O-CG2 3.3Å; Y124-V128 WeakPolarHBondContact O-CG2 2.97Å; Y124-V128 PolarHBondContact O-N 2.92Å; Y124-V513 HydrophobicContact CD1-CG1 3.55Å; Y124-V513 HydrophobicContact CE1-CG1 3.84Å; Y124-V513 HydrophobicContact CG-CG1 3.93Å; Y124-V514 HydrophobicContact CD2-CG2 3.54Å; Y124-V514 HydrophobicContact CE2-CG2 4.22Å; Y124-V514 HydrophobicContact CG-CG2 4.33Å; Y124-N517 PolarHBondContact OH-ND2 3.2Å
125G74.5Confident70.9Confident1 Ų129 Ų291%0.0119%0.188CC..Hα-helixtrans-60.5-42.9173.300000112.6L121 F123 V128 A129 F136L121-G125 WeakPolarHBondContact O-CA 3.28Å; L121-G125 PolarHBondContact O-N 2.9Å; F123-G125 VanDerWaalsContact C-N 3.33Å; F123-G125 PolarHBondContact O-N 3.22Å; G125-V128 PolarHBondContact O-N 3.44Å; G125-A129 WeakPolarHBondContact O-CB 3.29Å; G125-A129 PolarHBondContact O-N 3.42Å; G125-F136 VanDerWaalsContact C-CD2 3.41Å
126R72.4Confident68.7Low15 Ų1532 Ų326%0.05720%0.201CC..Hα-helixtrans-66.5-42174.7-79.8-178.4-170.3-72.4-12.4112.6F92 R96 E122 F123 V128 A129 T130 F136 D137F92-R126 HydrophobicContact CD1-CB 4.48Å; F92-R126 HydrophobicContact CE1-CB 4.48Å; R96-R126 VanDerWaalsContact CA-CZ 3.48Å; R96-R126 VanDerWaalsContact CA-NH2 3.33Å; R96-R126 VanDerWaalsContact CG-NH2 3.35Å; E122-R126 HydrophobicContact CG-CG 4.43Å; E122-R126 VanDerWaalsContact O-CB 3.28Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 VanDerWaalsContact O-CG 3.28Å; E122-R126 WeakPolarHBondContact O-CG 3.34Å; E122-R126 PolarHBondContact O-N 2.82Å; E122-R126 IonicContact OE1-CZ 3.54Å; E122-R126 VanDerWaalsContact OE1-CZ 3.32Å; E122-R126 IonicContact OE1-NE 3.94Å; E122-R126 PolarHBondContact OE1-NE 3.47Å; E122-R126 IonicContact OE1-NH2 3.08Å; E122-R126 PolarHBondContact OE1-NH2 2.82Å; F123-R126 PolarHBondContact O-N 3.03Å; R126-V128 VanDerWaalsContact C-N 3.32Å; R126-V128 PolarHBondContact O-N 3.07Å; R126-A129 PolarHBondContact O-N 2.99Å; R126-T130 VanDerWaalsContact O-CB 3.3Å; R126-T130 WeakPolarHBondContact O-CB 3.46Å; R126-T130 PolarHBondContact O-N 3.15Å; R126-T130 PolarHBondContact O-OG1 3.05Å; R126-F136 HydrophobicContact CB-CB 4.35Å; R126-F136 HydrophobicContact CG-CB 3.41Å; R126-F136 VanDerWaalsContact CG-CB 3.41Å; R126-F136 HydrophobicContact CG-CD1 3.85Å; R126-F136 HydrophobicContact CG-CD2 4.18Å; R126-F136 HydrophobicContact CG-CG 3.55Å; R126-D137 IonicContact CZ-OD1 3.8Å; R126-D137 IonicContact CZ-OD2 3.65Å; R126-D137 IonicContact NH1-OD1 3.84Å; R126-D137 IonicContact NH1-OD2 3.81Å; R126-D137 PolarHBondContact NH1-OD2 2.66Å; R126-D137 IonicContact NH2-OD1 2.63Å; R126-D137 PolarHBondContact NH2-OD1 2.79Å; R126-D137 IonicContact NH2-OD2 4Å; R126-D137 PolarHBondContact NH2-OD2 2.92Å
127Q69Low66.7Low61 Ų6135 Ų3529%0.28522%0.217SC..Hα-helixtrans-59.8-44.8175.7-74.6-164.290.700111.4F123 Y124 T130 A131F123-Q127 HydrophobicContact CD2-CG 4.38Å; F123-Q127 HydrophobicContact CE2-CG 3.91Å; F123-Q127 HydrophobicContact CZ-CG 4.2Å; F123-Q127 PolarHBondContact O-N 2.84Å; Y124-Q127 PolarHBondContact O-N 3.44Å; Q127-T130 PolarHBondContact O-N 3.2Å; Q127-A131 VanDerWaalsContact O-CB 3.29Å; Q127-A131 WeakPolarHBondContact O-CB 3.44Å; Q127-A131 PolarHBondContact O-N 3.45Å
128V66.3Low64.2Low32 Ų3237 Ų3719%0.19424%0.237CC..Hα-helixtrans-63.7-47.5176.8172.40000111.2Y124 G125 R126 T130 A131 A132 A506Y124-V128 VanDerWaalsContact O-CG2 3.3Å; Y124-V128 WeakPolarHBondContact O-CG2 2.97Å; Y124-V128 PolarHBondContact O-N 2.92Å; G125-V128 PolarHBondContact O-N 3.44Å; R126-V128 VanDerWaalsContact C-N 3.32Å; R126-V128 PolarHBondContact O-N 3.07Å; V128-T130 PolarHBondContact O-N 3.34Å; V128-A131 PolarHBondContact O-N 3.48Å; V128-A132 VanDerWaalsContact O-CB 3.29Å; V128-A132 WeakPolarHBondContact O-CB 3.24Å; V128-A132 PolarHBondContact O-N 3.16Å; V128-A506 HydrophobicContact CG1-CB 4.04Å
129A67.2Low62.1Low5 Ų541.9 Ų41.94%0.04126%0.26CS..Hα-helixtrans-59.5-47.3178.200000111.2G125 R126 A131 A132 G133 F134 F136G125-A129 WeakPolarHBondContact O-CB 3.29Å; G125-A129 PolarHBondContact O-N 3.42Å; R126-A129 PolarHBondContact O-N 2.99Å; A129-A131 PolarHBondContact O-N 3.26Å; A129-A132 CarbonylContact O-C 3.15Å; A129-A132 PolarHBondContact O-N 3.29Å; A129-A132 VanDerWaalsContact O-N 3.13Å; A129-G133 PolarHBondContact O-N 2.98Å; A129-G133 VanDerWaalsContact O-N 3.07Å; A129-F134 CarbonylContact C-O 3.59Å; A129-F134 HydrophobicContact CB-CB 4.3Å; A129-F134 PolarHBondContact O-N 3.48Å; A129-F134 VanDerWaalsContact O-O 3.06Å; A129-F136 HydrophobicContact CB-CB 4.16Å
130T64.7Low59.8Low86 Ų8644 Ų4453%0.52827%0.273SS..Hα-helixtrans-61.6-47179.6-530000111.2R126 Q127 V128 A132 G133 F134R126-T130 VanDerWaalsContact O-CB 3.3Å; R126-T130 WeakPolarHBondContact O-CB 3.46Å; R126-T130 PolarHBondContact O-N 3.15Å; R126-T130 PolarHBondContact O-OG1 3.05Å; Q127-T130 PolarHBondContact O-N 3.2Å; V128-T130 PolarHBondContact O-N 3.34Å; T130-A132 PolarHBondContact O-N 3.49Å; T130-G133 PolarHBondContact O-N 3.22Å; T130-F134 PolarHBondContact N-O 3.4Å
131A56Low57.9Low93 Ų9343.5 Ų43.577%0.76927%0.27SS*.Hα-helixtrans-62.7-29.517700000112.8Q127 V128 A129 G133Q127-A131 VanDerWaalsContact O-CB 3.29Å; Q127-A131 WeakPolarHBondContact O-CB 3.44Å; Q127-A131 PolarHBondContact O-N 3.45Å; V128-A131 PolarHBondContact O-N 3.48Å; A129-A131 PolarHBondContact O-N 3.26Å; A131-G133 VanDerWaalsContact C-N 3.34Å
132A49.3Very low56Low56 Ų5649.2 Ų49.246%0.46330%0.301SS..THydrogen-bonded Turntrans-87.92176.100000113.7V128 A129 T130 F134V128-A132 VanDerWaalsContact O-CB 3.29Å; V128-A132 WeakPolarHBondContact O-CB 3.24Å; V128-A132 PolarHBondContact O-N 3.16Å; A129-A132 CarbonylContact O-C 3.15Å; A129-A132 PolarHBondContact O-N 3.29Å; A129-A132 VanDerWaalsContact O-N 3.13Å; T130-A132 PolarHBondContact O-N 3.49Å; A132-F134 HydrophobicContact CB-CD2 3.58Å; A132-F134 HydrophobicContact CB-CE2 3.83Å; A132-F134 VanDerWaalsContact O-CD2 3.3Å; A132-F134 WeakPolarHBondContact O-CD2 3.27Å; A132-F134 VanDerWaalsContact O-CE2 3.22Å; A132-F134 WeakPolarHBondContact O-CE2 3.29Å
133G39.9Very low53.8Low48 Ų4853.6 Ų53.650%0.49533%0.332SS..THydrogen-bonded Turntrans78.620.3179.500000115A129 T130 A131 S141A129-G133 PolarHBondContact O-N 2.98Å; A129-G133 VanDerWaalsContact O-N 3.07Å; T130-G133 PolarHBondContact O-N 3.22Å; A131-G133 VanDerWaalsContact C-N 3.34Å; G133-S141 PolarHBondContact O-OG 3.15Å
134F45.7Very low51.5Low62 Ų6259 Ų5927%0.27237%0.37SS..  trans-113.9155.7179.3-58.2-73.2000112.7A129 T130 A132 Q502A129-F134 CarbonylContact C-O 3.59Å; A129-F134 HydrophobicContact CB-CB 4.3Å; A129-F134 PolarHBondContact O-N 3.48Å; A129-F134 VanDerWaalsContact O-O 3.06Å; T130-F134 PolarHBondContact N-O 3.4Å; A132-F134 HydrophobicContact CB-CD2 3.58Å; A132-F134 HydrophobicContact CB-CE2 3.83Å; A132-F134 VanDerWaalsContact O-CD2 3.3Å; A132-F134 WeakPolarHBondContact O-CD2 3.27Å; A132-F134 VanDerWaalsContact O-CE2 3.22Å; A132-F134 WeakPolarHBondContact O-CE2 3.29Å; F134-Q502 HydrophobicContact CZ-CB 4.48Å; F134-Q502 VanDerWaalsContact CZ-CD 3.42Å; F134-Q502 HydrophobicContact CZ-CG 4.28Å
135T51.4Low49.2Very low37 Ų3761.3 Ų61.323%0.22741%0.406CS..  trans-90.4133166.170.10000110.1D137 G138 H139T135-D137 PolarHBondContact O-N 3.17Å; T135-D137 VanDerWaalsContact O-N 3.16Å; T135-G138 PolarHBondContact O-N 2.8Å; T135-H139 PolarHBondContact OG1-N 2.84Å; T135-H139 PolarHBondContact OG1-O 3.42Å
136F48.6Very low46.9Very low61 Ų6164.1 Ų64.127%0.26843%0.434SS..THydrogen-bonded Turntrans-64.5-18.7179.5-176.4-98.6000113.3E122 G125 R126 A129 G138E122-F136 HydrophobicContact CG-CE1 4.05Å; G125-F136 VanDerWaalsContact C-CD2 3.41Å; R126-F136 HydrophobicContact CB-CB 4.35Å; R126-F136 HydrophobicContact CG-CB 3.41Å; R126-F136 VanDerWaalsContact CG-CB 3.41Å; R126-F136 HydrophobicContact CG-CD1 3.85Å; R126-F136 HydrophobicContact CG-CD2 4.18Å; R126-F136 HydrophobicContact CG-CG 3.55Å; A129-F136 HydrophobicContact CB-CB 4.16Å; F136-G138 PolarHBondContact O-N 2.71Å
137D51.8Low44.7Very low63 Ų6372.6 Ų72.634%0.33747%0.474SS..THydrogen-bonded Turntrans-80.510178.1-61.4-51.6000113.1H63 R96 R126 T135H63-D137 IonicContact CE1-OD2 2.68Å; R96-D137 IonicContact NE-OD1 3.66Å; R126-D137 IonicContact CZ-OD1 3.8Å; R126-D137 IonicContact CZ-OD2 3.65Å; R126-D137 IonicContact NH1-OD1 3.84Å; R126-D137 IonicContact NH1-OD2 3.81Å; R126-D137 PolarHBondContact NH1-OD2 2.66Å; R126-D137 IonicContact NH2-OD1 2.63Å; R126-D137 PolarHBondContact NH2-OD1 2.79Å; R126-D137 IonicContact NH2-OD2 4Å; R126-D137 PolarHBondContact NH2-OD2 2.92Å; T135-D137 PolarHBondContact O-N 3.17Å; T135-D137 VanDerWaalsContact O-N 3.16Å
138G37.9Very low42.8Very low42 Ų4277.1 Ų77.143%0.43350%0.5SS..SBendtrans90.87.4165.900000115.5T135 F136T135-G138 PolarHBondContact O-N 2.8Å; F136-G138 PolarHBondContact O-N 2.71Å
139H42.5Very low41Very low103 Ų10380.2 Ų80.248%0.47752%0.521SS..  trans-97.6128173.8-93.9-74.8000111.6Q24 T135 S141Q24-H139 HydrophobicContact CG-CB 4.29Å; T135-H139 PolarHBondContact OG1-N 2.84Å; T135-H139 PolarHBondContact OG1-O 3.42Å; H139-S141 PolarHBondContact O-N 3.3Å
140V34.4Very low39Very low48 Ų4887.8 Ų87.829%0.29156%0.56SS.*  trans-67.4121.2168.3-179.10000108.3N142 I499V140-N142 PolarHBondContact O-N 3.36Å; V140-I499 HydrophobicContact CG2-CD1 3.58Å; V140-I499 HydrophobicContact CG2-CG1 3.64Å
141S38Very low37.4Very low33 Ų3387.3 Ų87.323%0.23156%0.557CS.*  trans-63.397.8161.41.80000107.3G133 H139 S143G133-S141 PolarHBondContact O-OG 3.15Å; H139-S141 PolarHBondContact O-N 3.3Å; S141-S143 PolarHBondContact O-N 3.03Å
142N34.4Very low35.9Very low143 Ų14387.4 Ų87.477%0.76555%0.552SS**  trans-7243.3171.9-84.2-4.9000112.1V140 S144V140-N142 PolarHBondContact O-N 3.36Å; N142-S144 PolarHBondContact O-N 2.86Å
143S33Very low35.1Very low96 Ų9690.9 Ų90.967%0.67156%0.557SS**  trans-82.168.4166.539.40000109.1S141 G145S141-S143 PolarHBondContact O-N 3.03Å; S143-G145 PolarHBondContact O-N 3.06Å
144S28.7Very low34.6Very low117 Ų11796 Ų9682%0.81857%0.568SS**  trans-74.3103.9160.251.30000108.4N142N142-S144 PolarHBondContact O-N 2.86Å
145G27.3Very low33.9Very low86 Ų86100 Ų10089%0.88760%0.598SS**SBendtrans99.715.4160.600000118.4S143S143-G145 PolarHBondContact O-N 3.06Å
146G26.4Very low32.9Very low59 Ų59106 Ų10661%0.60862%0.623SS**  trans-101.8133168.900000110.6L148G146-L148 PolarHBondContact O-N 3.26Å
147E25.6Very low31.9Very low193 Ų193110.7 Ų110.790%0.90265%0.651SS**  trans-41.7127.8171.7-69.9173.8157.100110.1P149E147-P149 VanDerWaalsContact O-N 3.13Å
148L29Very low31.2Very low157 Ų157110.8 Ų110.882%0.82267%0.668SS**  trans-47.8123.8165.9-81.2128.5000106.2G146 D150G146-L148 PolarHBondContact O-N 3.26Å; L148-D150 PolarHBondContact O-N 3.16Å
149P28.4Very low31.9Very low97 Ų97116.7 Ų116.763%0.6368%0.677SS**  trans-56.4132.7165.224.5-28.6000105.3E147 T151E147-P149 VanDerWaalsContact O-N 3.13Å; P149-T151 PolarHBondContact O-N 3.33Å
150D25Very low32.9Very low164 Ų164115 Ų11588%0.87767%0.669SS**  trans-58.971.2166.7-81.8-33.1000108.6L148 S152L148-D150 PolarHBondContact O-N 3.16Å; D150-S152 PolarHBondContact O-N 3.19Å
151T32.2Very low34.9Very low76 Ų76115 Ų11547%0.46667%0.672SS.*  trans-84.776.9153.754.30000104.7P149 F153P149-T151 PolarHBondContact O-N 3.33Å; T151-F153 PolarHBondContact O-N 3.2Å
152S25.1Very low37.1Very low94 Ų94114.5 Ų114.566%0.65767%0.666SS**  trans-57.973.9138.1570000107.2D150 E154D150-S152 PolarHBondContact O-N 3.19Å; S152-E154 PolarHBondContact O-N 2.95Å
153F31.9Very low39.4Very low129 Ų129112.4 Ų112.457%0.56665%0.652SS**  trans-61.694.7134.4-92.2-83.6000102T151 T155T151-F153 PolarHBondContact O-N 3.2Å; F153-T155 VanDerWaalsContact C-N 3.27Å; F153-T155 PolarHBondContact O-N 3.06Å; F153-T155 PolarHBondContact O-OG1 3.2Å
154E28.6Very low42.1Very low155 Ų155112.7 Ų112.772%0.72464%0.641SS**  trans-44.7101.8177.1-71.9-178.815800107.2S152 E156S152-E154 PolarHBondContact O-N 2.95Å; E154-E156 PolarHBondContact O-N 3.38Å
155T31.3Very low45Very low148 Ų148107.2 Ų107.291%0.90860%0.602SS**THydrogen-bonded Turntrans-74.232.6175.2-25.90000109.2F153F153-T155 VanDerWaalsContact C-N 3.27Å; F153-T155 PolarHBondContact O-N 3.06Å; F153-T155 PolarHBondContact O-OG1 3.2Å
156E29.7Very low48Very low161 Ų161104.2 Ų104.275%0.75256%0.564SS**THydrogen-bonded Turntrans-107.1-11.6-176.8-73.1-158.6150.300113E154E154-E156 PolarHBondContact O-N 3.38Å
157N28.9Very low51.2Low160 Ų160105.2 Ų105.286%0.85656%0.556SS**SBendtrans-156.5105.5171.2-86.1-47.4000114.6
158G37.7Very low54.4Low66 Ų6697.4 Ų97.468%0.6852%0.52SS*.  trans96.6105.8150.400000116.4Q160G158-Q160 PolarHBondContact O-N 2.95Å
159R52.4Low57.6Low165 Ų16589.9 Ų89.962%0.62348%0.481SS*.  trans-47.2107.3149-86178.6169.1178-3.3106.9S161R159-S161 PolarHBondContact O-N 3.25Å
160Q62.4Low60.7Low67 Ų6785.3 Ų85.331%0.31345%0.451SS..  trans-61.1125.7174.3-68.6-174.6-4.700107.2F123 G158 L165F123-Q160 WeakPolarHBondContact CZ-O 3.42Å; G158-Q160 PolarHBondContact O-N 2.95Å; Q160-L165 HydrophobicContact CB-CG 4.37Å
161S77.2Confident64Low50 Ų5080.4 Ų80.435%0.3542%0.423SS..  trans-66147.517561.50000108.5R159 E163 K164 L165R159-S161 PolarHBondContact O-N 3.25Å; S161-E163 PolarHBondContact O-N 3.05Å; S161-E163 VanDerWaalsContact O-N 3.11Å; S161-K164 PolarHBondContact O-N 3.39Å; S161-K164 VanDerWaalsContact O-N 3.14Å; S161-K164 PolarHBondContact OG-N 2.88Å; S161-L165 PolarHBondContact O-N 3.12Å
162L82.8Confident67Low21 Ų2176.8 Ų76.811%0.1140%0.401CS..Hα-helixtrans-54.8-27.8170.5-17960.4000111.3P120 F123 R166P120-L162 HydrophobicContact CG-CD2 4.22Å; F123-L162 HydrophobicContact CB-CD1 4.15Å; F123-L162 HydrophobicContact CD1-CB 4.07Å; F123-L162 HydrophobicContact CD1-CD1 4.31Å; F123-L162 HydrophobicContact CD2-CD1 4.35Å; F123-L162 HydrophobicContact CE1-CB 4.14Å; F123-L162 HydrophobicContact CG-CD1 4.01Å; L162-R166 VanDerWaalsContact O-CG 3.27Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.22Å; L162-R166 VanDerWaalsContact O-N 3.13Å
163E83.9Confident70.4Confident99 Ų9972.3 Ų72.346%0.46337%0.37SS..Hα-helixtrans-63.1-54.3175.5-55.8175.8154.200111.3S161 L165 R166 D167 Q206S161-E163 PolarHBondContact O-N 3.05Å; S161-E163 VanDerWaalsContact O-N 3.11Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 2.88Å; E163-R166 CarbonylContact O-C 3.45Å; E163-R166 WeakPolarHBondContact O-CA 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; E163-D167 PolarHBondContact O-N 3.26Å; E163-Q206 VanDerWaalsContact CD-NE2 3.31Å; E163-Q206 PolarHBondContact OE1-NE2 3.03Å
164K88.8Confident73.4Confident102 Ų10271.1 Ų71.144%0.44336%0.361SS..Hα-helixtrans-56.8-42.7177.6179.5177.1177.8176.80111.8S161 R166 D167 D168S161-K164 PolarHBondContact O-N 3.39Å; S161-K164 VanDerWaalsContact O-N 3.14Å; S161-K164 PolarHBondContact OG-N 2.88Å; K164-R166 VanDerWaalsContact C-N 3.26Å; K164-R166 PolarHBondContact O-N 3.23Å; K164-D167 WeakPolarHBondContact O-CB 3.48Å; K164-D167 PolarHBondContact O-N 3.44Å; K164-D167 VanDerWaalsContact O-N 3.14Å; K164-D168 PolarHBondContact O-N 2.93Å
165L89.9Confident76.4Confident2 Ų267.5 Ų67.51%0.0134%0.341CS..Hα-helixtrans-61.7-36.7178.1-68.4171.2000112.4Q89 F92 A93 F123 Q160 S161 E163 D169Q89-L165 WeakPolarHBondContact O-CD2 3.15Å; F92-L165 HydrophobicContact CB-CD1 3.92Å; A93-L165 HydrophobicContact CB-CB 4.19Å; A93-L165 WeakPolarHBondContact CB-O 3.49Å; F123-L165 HydrophobicContact CD2-CD1 3.93Å; F123-L165 HydrophobicContact CE2-CD1 3.16Å; F123-L165 HydrophobicContact CZ-CD1 3.55Å; Q160-L165 HydrophobicContact CB-CG 4.37Å; S161-L165 PolarHBondContact O-N 3.12Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 2.88Å; L165-D169 PolarHBondContact O-N 3.09Å
166R91Very high79.4Confident23 Ų2360.5 Ų60.59%0.08730%0.298CS..Hα-helixtrans-75.5-29.2176-69.7175.1177.9-166-4.5112.1A93 S118 L162 E163 K164 D169 C170 S199 D204 R208A93-R166 HydrophobicContact CB-CG 4.16Å; S118-R166 PolarHBondContact O-NH2 3.2Å; L162-R166 VanDerWaalsContact O-CG 3.27Å; L162-R166 WeakPolarHBondContact O-CG 3.1Å; L162-R166 PolarHBondContact O-N 3.22Å; L162-R166 VanDerWaalsContact O-N 3.13Å; E163-R166 CarbonylContact O-C 3.45Å; E163-R166 WeakPolarHBondContact O-CA 3.47Å; E163-R166 PolarHBondContact O-N 3.01Å; K164-R166 VanDerWaalsContact C-N 3.26Å; K164-R166 PolarHBondContact O-N 3.23Å; R166-D169 PolarHBondContact O-N 3.22Å; R166-C170 PolarHBondContact O-N 3.12Å; R166-C170 PolarHBondContact O-SG 2.92Å; R166-S199 PolarHBondContact NH2-OG 3.08Å; R166-S199 VanDerWaalsContact NH2-OG 3.12Å; R166-D204 IonicContact NH1-OD1 2.74Å; R166-D204 PolarHBondContact NH1-OD1 3.41Å; R166-R208 VanDerWaalsContact CD-CZ 3.46Å
167D92.5Very high82.5Confident80 Ų8054.5 Ų54.543%0.42827%0.271SS..Hα-helixtrans-64-45.5168.9-67.1-37.1000110.8E163 K164 D169 C170 E171 R208E163-D167 PolarHBondContact O-N 3.26Å; K164-D167 WeakPolarHBondContact O-CB 3.48Å; K164-D167 PolarHBondContact O-N 3.44Å; K164-D167 VanDerWaalsContact O-N 3.14Å; D167-D169 VanDerWaalsContact C-N 3.32Å; D167-D169 PolarHBondContact O-N 3.28Å; D167-C170 PolarHBondContact O-N 2.96Å; D167-E171 PolarHBondContact O-N 3.09Å; D167-R208 WeakPolarHBondContact OD1-CD 3.12Å
168D93.6Very high85.6Confident29 Ų2947.1 Ų47.116%0.15523%0.232CC..Hα-helixtrans-62.6-38.2175.3-65.7-23.4000111.3L86 K164 E171 L172L86-D168 HydrophobicContact CD1-CB 4.03Å; K164-D168 PolarHBondContact O-N 2.93Å; D168-E171 PolarHBondContact O-N 2.82Å; D168-L172 WeakPolarHBondContact O-CB 3.45Å; D168-L172 PolarHBondContact O-N 3.32Å
169D95.4Very high88.4Confident0 Ų045.6 Ų45.60%021%0.209CC..Hα-helixtrans-63.5-44173.1-174.388000111.9A93 R94 L165 R166 D167 E171 L172 I173 Y209A93-D169 HydrophobicContact CB-CB 3.82Å; R94-D169 WeakPolarHBondContact CG-OD1 3.19Å; R94-D169 IonicContact CZ-OD1 3.34Å; R94-D169 IonicContact CZ-OD2 2.75Å; R94-D169 VanDerWaalsContact CZ-OD2 3.3Å; R94-D169 VanDerWaalsContact NE-CG 3.34Å; R94-D169 IonicContact NE-OD1 3.52Å; R94-D169 PolarHBondContact NE-OD1 3.05Å; R94-D169 IonicContact NE-OD2 2.87Å; R94-D169 PolarHBondContact NE-OD2 3.14Å; R94-D169 VanDerWaalsContact NE-OD2 3.08Å; R94-D169 IonicContact NH2-OD1 2.77Å; R94-D169 IonicContact NH2-OD2 2.99Å; R94-D169 PolarHBondContact NH2-OD2 2.88Å; L165-D169 PolarHBondContact O-N 3.09Å; R166-D169 PolarHBondContact O-N 3.22Å; D167-D169 VanDerWaalsContact C-N 3.32Å; D167-D169 PolarHBondContact O-N 3.28Å; D169-E171 VanDerWaalsContact C-N 3.32Å; D169-E171 PolarHBondContact O-N 3.47Å; D169-L172 WeakPolarHBondContact O-CB 3.39Å; D169-L172 PolarHBondContact O-N 3.41Å; D169-I173 VanDerWaalsContact O-CG1 3.26Å; D169-I173 WeakPolarHBondContact O-CG1 3.32Å; D169-I173 PolarHBondContact O-N 3.36Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.5Å; D169-Y209 PolarHBondContact OD2-OH 3.4Å; D169-Y209 VanDerWaalsContact OD2-OH 3.13Å
170C95Very high90.5Very high1 Ų138.8 Ų38.81%0.00718%0.184CC..Hα-helixtrans-62.1-41.7175-670000111.3R166 D167 L172 I173 R174 Y209 F212R166-C170 PolarHBondContact O-N 3.12Å; R166-C170 PolarHBondContact O-SG 2.92Å; D167-C170 PolarHBondContact O-N 2.96Å; C170-L172 VanDerWaalsContact C-N 3.33Å; C170-L172 PolarHBondContact O-N 3.37Å; C170-I173 PolarHBondContact O-N 2.98Å; C170-R174 WeakPolarHBondContact O-CG 3.33Å; C170-R174 PolarHBondContact O-N 3.43Å; C170-Y209 VanDerWaalsContact SG-CE1 3.53Å; C170-F212 HydrophobicContact CB-CE2 4.28Å
171E94.6Very high92.2Very high61 Ų6135.6 Ų35.629%0.28517%0.169SC..Hα-helixtrans-62.7-40.2175.317956.8-166.900112L86 D167 D168 D169 I173 R174 R175L86-E171 HydrophobicContact CD1-CG 4.42Å; L86-E171 HydrophobicContact CD2-CB 4.37Å; L86-E171 HydrophobicContact CD2-CG 3.88Å; D167-E171 PolarHBondContact O-N 3.09Å; D168-E171 PolarHBondContact O-N 2.82Å; D169-E171 VanDerWaalsContact C-N 3.32Å; D169-E171 PolarHBondContact O-N 3.47Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.96Å; E171-R174 PolarHBondContact O-N 3.28Å; E171-R174 IonicContact OE2-NH1 3.16Å; E171-R174 PolarHBondContact OE2-NH1 3.08Å; E171-R175 WeakPolarHBondContact O-CG 2.95Å; E171-R175 PolarHBondContact O-N 2.92Å; E171-R175 IonicContact OE1-CZ 2.74Å; E171-R175 IonicContact OE1-NE 2.74Å; E171-R175 PolarHBondContact OE1-NE 2.79Å; E171-R175 IonicContact OE1-NH2 3.05Å; E171-R175 PolarHBondContact OE1-NH2 2.9Å
172L95.2Very high93.1Very high0 Ų033.2 Ų33.20%015%0.152CC..Hα-helixtrans-59.9-45.9174.3177.360.2000111.2L83 L86 M87 S90 V100 D168 D169 C170 R174 R175 L176L83-L172 HydrophobicContact CD1-CD1 3.58Å; L83-L172 HydrophobicContact CG-CD1 4.48Å; L86-L172 HydrophobicContact CD2-CB 3.94Å; L86-L172 HydrophobicContact CD2-CD1 4.28Å; L86-L172 HydrophobicContact CG-CB 4.11Å; L86-L172 HydrophobicContact CG-CD1 4.49Å; M87-L172 HydrophobicContact CE-CD1 4.07Å; M87-L172 HydrophobicContact CG-CD1 3.65Å; M87-L172 HydrophobicContact CG-CD2 3.83Å; M87-L172 HydrophobicContact CG-CG 4.41Å; S90-L172 WeakPolarHBondContact OG-CD2 3.36Å; V100-L172 HydrophobicContact CB-CD2 4Å; V100-L172 HydrophobicContact CB-CG 4.34Å; D168-L172 WeakPolarHBondContact O-CB 3.45Å; D168-L172 PolarHBondContact O-N 3.32Å; D169-L172 WeakPolarHBondContact O-CB 3.39Å; D169-L172 PolarHBondContact O-N 3.41Å; C170-L172 VanDerWaalsContact C-N 3.33Å; C170-L172 PolarHBondContact O-N 3.37Å; L172-R174 VanDerWaalsContact C-N 3.33Å; L172-R174 PolarHBondContact O-N 3.01Å; L172-R175 PolarHBondContact O-N 3.18Å; L172-L176 HydrophobicContact CD1-CD1 3.92Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.05Å; L172-L176 WeakPolarHBondContact O-CB 3.26Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.36Å
173I95.3Very high93.7Very high0 Ų032.2 Ų32.20%015%0.147CC..Hα-helixtrans-60.6-42.2178-65.5168.4000110.9V100 D169 C170 E171 L176 N177 V178 I181 Y209 F212 L298V100-I173 HydrophobicContact CB-CG1 4.39Å; V100-I173 HydrophobicContact CG1-CG1 4.32Å; V100-I173 HydrophobicContact CG2-CD1 4.24Å; V100-I173 HydrophobicContact CG2-CG1 3.84Å; D169-I173 VanDerWaalsContact O-CG1 3.26Å; D169-I173 WeakPolarHBondContact O-CG1 3.32Å; D169-I173 PolarHBondContact O-N 3.36Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.5Å; C170-I173 PolarHBondContact O-N 2.98Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.96Å; I173-L176 PolarHBondContact O-N 3.44Å; I173-N177 PolarHBondContact O-N 3.24Å; I173-V178 HydrophobicContact CG2-CB 3.59Å; I173-V178 HydrophobicContact CG2-CG1 3.72Å; I173-V178 HydrophobicContact CG2-CG2 4.43Å; I173-V178 PolarHBondContact O-N 3.29Å; I173-I181 HydrophobicContact CD1-CD1 4.35Å; I173-Y209 HydrophobicContact CD1-CD1 4.31Å; I173-Y209 HydrophobicContact CD1-CE1 3.92Å; I173-F212 HydrophobicContact CB-CE1 4.02Å; I173-F212 HydrophobicContact CB-CE2 4.34Å; I173-F212 HydrophobicContact CB-CZ 3.7Å; I173-F212 HydrophobicContact CG2-CD1 3.78Å; I173-F212 HydrophobicContact CG2-CD2 4.49Å; I173-F212 HydrophobicContact CG2-CE1 3.27Å; I173-F212 HydrophobicContact CG2-CE2 4.05Å; I173-F212 HydrophobicContact CG2-CG 4.37Å; I173-F212 HydrophobicContact CG2-CZ 3.41Å; I173-F212 VanDerWaalsContact CG2-CZ 3.41Å; I173-L298 HydrophobicContact CD1-CD2 3.9Å; I173-L298 HydrophobicContact CG1-CD2 4.14Å
174R94Very high94.3Very high103 Ų10327.5 Ų27.539%0.38913%0.125SC..Hα-helixtrans-62.8-47.1175.7-67-173.1-154.7944.4112C170 E171 L172 L176 N177 D211 F212C170-R174 WeakPolarHBondContact O-CG 3.33Å; C170-R174 PolarHBondContact O-N 3.43Å; E171-R174 PolarHBondContact O-N 3.28Å; E171-R174 IonicContact OE2-NH1 3.16Å; E171-R174 PolarHBondContact OE2-NH1 3.08Å; L172-R174 VanDerWaalsContact C-N 3.33Å; L172-R174 PolarHBondContact O-N 3.01Å; R174-L176 PolarHBondContact O-N 3.2Å; R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 PolarHBondContact O-N 2.86Å; R174-D211 IonicContact CZ-OD2 3.65Å; R174-D211 IonicContact NE-OD2 2.91Å; R174-D211 PolarHBondContact NE-OD2 3.39Å; R174-D211 IonicContact NH2-OD2 3.68Å; R174-D211 PolarHBondContact NH2-OD2 3.04Å; R174-F212 HydrophobicContact CG-CE1 3.93Å; R174-F212 HydrophobicContact CG-CZ 3.74Å
175R93.3Very high94.6Very high80 Ų8022.7 Ų22.730%0.30210%0.104SC..Hα-helixtrans-63-31.5178.8-70.4-170.9-169.3-172.53.7112.8L76 L83 E171 L172 N177L76-R175 WeakPolarHBondContact CD1-O 3.41Å; L83-R175 HydrophobicContact CD1-CB 4.33Å; E171-R175 WeakPolarHBondContact O-CG 2.95Å; E171-R175 PolarHBondContact O-N 2.92Å; E171-R175 IonicContact OE1-CZ 2.74Å; E171-R175 IonicContact OE1-NE 2.74Å; E171-R175 PolarHBondContact OE1-NE 2.79Å; E171-R175 IonicContact OE1-NH2 3.05Å; E171-R175 PolarHBondContact OE1-NH2 2.9Å; L172-R175 PolarHBondContact O-N 3.18Å; R175-N177 PolarHBondContact O-N 3.21Å
176L93.9Very high94.6Very high0 Ų023.2 Ų23.20%011%0.107CC..THydrogen-bonded Turntrans-79.26.8173.7-66.3177.3000113.4L76 L83 M87 V100 P102 N110 L172 I173 R174 V178L76-L176 HydrophobicContact CD1-CD2 4.36Å; L83-L176 HydrophobicContact CD1-CD2 4.09Å; L83-L176 HydrophobicContact CD1-CG 4.45Å; L83-L176 HydrophobicContact CD2-CD2 4.07Å; M87-L176 HydrophobicContact CE-CD1 4.37Å; M87-L176 HydrophobicContact CE-CD2 4.44Å; V100-L176 HydrophobicContact CB-CD1 4.32Å; V100-L176 HydrophobicContact CG1-CD1 3.69Å; P102-L176 HydrophobicContact CG-CD1 4.41Å; P102-L176 HydrophobicContact CG-CD2 3.65Å; N110-L176 WeakPolarHBondContact CB-O 3.23Å; N110-L176 PolarHBondContact ND2-O 3.41Å; L172-L176 HydrophobicContact CD1-CD1 3.92Å; L172-L176 HydrophobicContact CD1-CG 4.15Å; L172-L176 HydrophobicContact CG-CD1 4.05Å; L172-L176 WeakPolarHBondContact O-CB 3.26Å; L172-L176 VanDerWaalsContact O-CG 3.3Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 3.36Å; I173-L176 PolarHBondContact O-N 3.44Å; R174-L176 PolarHBondContact O-N 3.2Å; L176-V178 VanDerWaalsContact C-N 3.27Å; L176-V178 HydrophobicContact CB-CG2 4.38Å; L176-V178 PolarHBondContact O-N 3Å
177N93.7Very high94.4Very high35 Ų3522.9 Ų22.919%0.18711%0.106CC..THydrogen-bonded Turntrans54.440.8178.1-17038.2000112.7H75 H108 I173 R174 R175 G296H75-N177 HydrophobicContact CB-CB 4.1Å; H75-N177 PolarHBondContact CD2-ND2 3.41Å; H108-N177 PolarHBondContact O-ND2 3.31Å; I173-N177 PolarHBondContact O-N 3.24Å; R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 PolarHBondContact O-N 2.86Å; R175-N177 PolarHBondContact O-N 3.21Å; N177-G296 WeakPolarHBondContact O-CA 3.48Å; N177-G296 PolarHBondContact O-N 3.5Å
178V95.3Very high93.8Very high6 Ų623 Ų234%0.03610%0.101CC..EExtended strand (participates in β ladder)trans-89.8132.8174.5168.70000109.4C112 I173 L176 I181 F212 L298C112-V178 HydrophobicContact CB-CG2 4.15Å; I173-V178 HydrophobicContact CG2-CB 3.59Å; I173-V178 HydrophobicContact CG2-CG1 3.72Å; I173-V178 HydrophobicContact CG2-CG2 4.43Å; I173-V178 PolarHBondContact O-N 3.29Å; L176-V178 VanDerWaalsContact C-N 3.27Å; L176-V178 HydrophobicContact CB-CG2 4.38Å; L176-V178 PolarHBondContact O-N 3Å; V178-I181 HydrophobicContact CG1-CG1 4.47Å; V178-F212 WeakPolarHBondContact O-CD1 3.31Å; V178-L298 HydrophobicContact CG1-CB 3.67Å; V178-L298 HydrophobicContact CG2-CB 4.4Å
179T96.1Very high93.1Very high34 Ų3426.7 Ų26.721%0.20911%0.113CC..EExtended strand (participates in β ladder)trans-110.7-36.3172.8-57.90000111.7V213 A294 G295 G296T179-V213 HydrophobicContact CG2-CG2 4.41Å; T179-V213 PolarHBondContact O-N 2.84Å; T179-A294 HydrophobicContact CG2-CB 4.36Å; T179-G295 VanDerWaalsContact OG1-CA 3.28Å; T179-G295 WeakPolarHBondContact OG1-CA 3.41Å; T179-G295 PolarHBondContact OG1-N 2.74Å; T179-G296 PolarHBondContact N-O 3.2Å
180Y97.3Very high92Very high22 Ų2230.9 Ų30.99%0.08613%0.131CC..EExtended strand (participates in β ladder)trans-110.9123-173-51.9-82.3000110.4V213 I215 P257 L289 G293 A294 G296 L297 L298Y180-V213 WeakPolarHBondContact CA-O 3.41Å; Y180-V213 HydrophobicContact CD1-CB 3.74Å; Y180-V213 HydrophobicContact CD1-CG1 3.98Å; Y180-V213 HydrophobicContact CD1-CG2 4.26Å; Y180-V213 HydrophobicContact CE1-CB 4.16Å; Y180-V213 HydrophobicContact CE1-CG1 4.35Å; Y180-V213 HydrophobicContact CE1-CG2 4.21Å; Y180-I215 HydrophobicContact CD1-CD1 4.08Å; Y180-P257 HydrophobicContact CD1-CG 4.33Å; Y180-P257 HydrophobicContact CE1-CG 3.93Å; Y180-L289 HydrophobicContact CD1-CD1 4.16Å; Y180-L289 HydrophobicContact CD1-CD2 4Å; Y180-L289 HydrophobicContact CD2-CB 4.32Å; Y180-L289 HydrophobicContact CE1-CD2 3.74Å; Y180-L289 HydrophobicContact CE2-CB 4.41Å; Y180-L289 HydrophobicContact CE2-CD2 4.34Å; Y180-L289 HydrophobicContact CG-CD1 4.13Å; Y180-L289 HydrophobicContact CG-CD2 4.43Å; Y180-G293 WeakPolarHBondContact OH-CA 3.23Å; Y180-A294 PolarHBondContact OH-N 2.94Å; Y180-G296 PolarHBondContact N-O 2.83Å; Y180-G296 VanDerWaalsContact N-O 3.13Å; Y180-L297 HydrophobicContact CD2-CD2 3.89Å; Y180-L297 HydrophobicContact CG-CD2 4.16Å; Y180-L297 CarbonylContact O-C 3.57Å; Y180-L297 WeakPolarHBondContact O-CA 3.44Å; Y180-L298 PolarHBondContact O-N 3.11Å
181I96.9Very high90.3Very high0 Ų035.6 Ų35.60%016%0.155CC..EExtended strand (participates in β ladder)trans-102.6108.3173.4-58179000107.6I173 V178 E201 Y209 F212 V213 V214 I215 L298 H300I173-I181 HydrophobicContact CD1-CD1 4.35Å; V178-I181 HydrophobicContact CG1-CG1 4.47Å; I181-E201 HydrophobicContact CG2-CG 4.47Å; I181-Y209 HydrophobicContact CD1-CD1 4.02Å; I181-F212 HydrophobicContact CD1-CB 3.79Å; I181-F212 HydrophobicContact CD1-CD2 3.87Å; I181-F212 HydrophobicContact CD1-CG 3.9Å; I181-F212 HydrophobicContact CG1-CB 4.04Å; I181-F212 HydrophobicContact CG1-CG 4.41Å; I181-V213 PolarHBondContact N-O 2.93Å; I181-V214 HydrophobicContact CB-CG2 4.29Å; I181-V214 HydrophobicContact CD1-CG2 4.31Å; I181-V214 CarbonylContact O-C 3.59Å; I181-V214 WeakPolarHBondContact O-CA 3.41Å; I181-I215 PolarHBondContact O-N 2.88Å; I181-L298 HydrophobicContact CD1-CD2 4.49Å; I181-L298 HydrophobicContact CG1-CB 4.31Å; I181-L298 HydrophobicContact CG1-CD2 4.26Å; I181-L298 HydrophobicContact CG2-CD2 4.34Å; I181-H300 WeakPolarHBondContact CG2-NE2 2.95Å
182C97.1Very high88.4Confident0 Ų039.2 Ų39.20%017%0.17CC..EExtended strand (participates in β ladder)trans-98.2106.2-178.7-58.70000109.7F184 L217 L286 L298 L299 H300C182-F184 HydrophobicContact CB-CZ 4.37Å; C182-L217 HydrophobicContact CB-CD1 4.14Å; C182-L286 HydrophobicContact CB-CD2 4.07Å; C182-L286 WeakPolarHBondContact SG-CD2 3.45Å; C182-L298 PolarHBondContact N-O 3.02Å; C182-L299 HydrophobicContact CB-CD2 3.58Å; C182-H300 PolarHBondContact O-N 2.82Å
183D95.6Very high86.3Confident0 Ų044.4 Ų44.40%021%0.205CC..EExtended strand (participates in β ladder)trans-103.9111.1-174.3179.90.4000111.5M185 S200 K202 I215 L217 H300D183-M185 VanDerWaalsContact C-N 3.33Å; D183-M185 PolarHBondContact O-N 3.25Å; D183-M185 WeakPolarHBondContact OD1-CB 3.33Å; D183-M185 WeakPolarHBondContact OD1-CG 3.31Å; D183-M185 PolarHBondContact OD1-N 3.25Å; D183-S200 VanDerWaalsContact OD2-CB 3.32Å; D183-S200 WeakPolarHBondContact OD2-CB 3.39Å; D183-S200 PolarHBondContact OD2-OG 3.3Å; D183-K202 VanDerWaalsContact CB-CE 3.44Å; D183-K202 VanDerWaalsContact CG-CE 3.44Å; D183-K202 PolarHBondContact O-NZ 3.16Å; D183-K202 IonicContact OD1-NZ 3.52Å; D183-K202 WeakPolarHBondContact OD2-CE 3.26Å; D183-K202 IonicContact OD2-NZ 3.39Å; D183-K202 PolarHBondContact OD2-NZ 2.88Å; D183-I215 PolarHBondContact N-O 2.89Å; D183-I215 VanDerWaalsContact N-O 3.09Å; D183-L217 CarbonylContact O-C 3.07Å; D183-L217 PolarHBondContact O-N 3.46Å; D183-H300 WeakPolarHBondContact CB-NE2 3.49Å; D183-H300 IonicContact OD1-CE1 2.9Å; D183-H300 PolarHBondContact OD1-CE1 3.46Å; D183-H300 IonicContact OD1-ND1 3.25Å; D183-H300 IonicContact OD2-CE1 3.64Å
184F96.4Very high84.1Confident0 Ų056.2 Ų56.20%025%0.25CC..  trans-844.5-178.7-53.5-61.5000115.5C182 L217 Y219 Y282 L286 L299 H300 C301 R307 F311C182-F184 HydrophobicContact CB-CZ 4.37Å; F184-L217 VanDerWaalsContact CA-O 3.3Å; F184-L217 WeakPolarHBondContact CA-O 3.42Å; F184-L217 HydrophobicContact CD1-CB 3.86Å; F184-L217 WeakPolarHBondContact CD1-O 3.27Å; F184-L217 HydrophobicContact CE1-CB 4.03Å; F184-L217 HydrophobicContact CE1-CD1 4.04Å; F184-Y219 PolarHBondContact O-N 3.2Å; F184-Y282 HydrophobicContact CE1-CD2 4.43Å; F184-L286 HydrophobicContact CZ-CD1 4.24Å; F184-L299 HydrophobicContact CE2-CB 4.03Å; F184-L299 HydrophobicContact CE2-CD2 4.44Å; F184-L299 HydrophobicContact CZ-CD2 4.22Å; F184-H300 WeakPolarHBondContact CD2-O 3.32Å; F184-H300 PolarHBondContact N-O 3.29Å; F184-C301 HydrophobicContact CB-CB 4.2Å; F184-R307 HydrophobicContact CB-CB 4.14Å; F184-R307 HydrophobicContact CD2-CB 4.36Å; F184-R307 HydrophobicContact CG-CB 4.47Å; F184-R307 PolarHBondContact O-NH1 3.13Å; F184-F311 AromaticContact CD1-CD2 3.95Å; F184-F311 HydrophobicContact CD1-CD2 3.95Å; F184-F311 AromaticContact CD1-CE2 3.66Å; F184-F311 HydrophobicContact CD1-CE2 3.66Å; F184-F311 HydrophobicContact CD1-CZ 4.35Å; F184-F311 AromaticContact CD2-CD2 3.84Å; F184-F311 HydrophobicContact CD2-CD2 3.84Å; F184-F311 HydrophobicContact CD2-CE2 4.26Å; F184-F311 HydrophobicContact CE1-CD1 4.45Å; F184-F311 AromaticContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CE1 4.44Å; F184-F311 AromaticContact CE1-CE2 3.52Å; F184-F311 HydrophobicContact CE1-CE2 3.52Å; F184-F311 HydrophobicContact CE1-CG 4.04Å; F184-F311 HydrophobicContact CE1-CZ 4.02Å; F184-F311 HydrophobicContact CE2-CB 4.07Å; F184-F311 AromaticContact CE2-CD2 3.39Å; F184-F311 HydrophobicContact CE2-CD2 3.39Å; F184-F311 HydrophobicContact CE2-CE2 4.13Å; F184-F311 AromaticContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CG-CD2 4.11Å; F184-F311 HydrophobicContact CG-CE2 4.05Å; F184-F311 HydrophobicContact CZ-CB 3.91Å; F184-F311 HydrophobicContact CZ-CD1 4.24Å; F184-F311 AromaticContact CZ-CD2 3.23Å; F184-F311 HydrophobicContact CZ-CD2 3.23Å; F184-F311 AromaticContact CZ-CE2 3.78Å; F184-F311 HydrophobicContact CZ-CE2 3.78Å; F184-F311 AromaticContact CZ-CG 3.53Å; F184-F311 HydrophobicContact CZ-CG 3.53Å; F184-F311 HydrophobicContact CZ-CZ 4.47Å
185M93.7Very high81.9Confident0 Ų054 Ų540%025%0.247CC..  trans-67.4145.3179.2-67.2176.150.700112.7T116 D183 E187 V302T116-M185 WeakPolarHBondContact CB-SD 3.44Å; T116-M185 HydrophobicContact CG2-CE 4.26Å; T116-M185 HydrophobicContact CG2-SD 3.78Å; T116-M185 PolarHBondContact OG1-SD 2.96Å; D183-M185 VanDerWaalsContact C-N 3.33Å; D183-M185 PolarHBondContact O-N 3.25Å; D183-M185 WeakPolarHBondContact OD1-CB 3.33Å; D183-M185 WeakPolarHBondContact OD1-CG 3.31Å; D183-M185 PolarHBondContact OD1-N 3.25Å; M185-E187 HydrophobicContact CE-CG 3.91Å; M185-E187 WeakPolarHBondContact CE-O 3.45Å; M185-V302 HydrophobicContact CE-CG2 4.02Å; M185-V302 HydrophobicContact CG-CG2 3.72Å; M185-V302 HydrophobicContact SD-CG2 4.05Å
186L91Very high80.5Confident13 Ų1352.8 Ų52.87%0.06825%0.25CC..SBendtrans-88.2-23.7174.3-62.3174.4000111.1P218 F240 W242 V247 E248 V249L186-P218 HydrophobicContact CD2-CB 3.77Å; L186-F240 HydrophobicContact CD1-CE1 4.15Å; L186-F240 HydrophobicContact CD1-CE2 4.43Å; L186-F240 HydrophobicContact CD1-CZ 3.61Å; L186-F240 HydrophobicContact CD2-CE1 4.24Å; L186-F240 HydrophobicContact CD2-CZ 4.49Å; L186-W242 HydrophobicContact CD2-CZ3 4.04Å; L186-V247 HydrophobicContact CD1-CG2 4.38Å; L186-E248 PolarHBondContact O-N 3.01Å; L186-V249 WeakPolarHBondContact O-CB 3.34Å; L186-V249 WeakPolarHBondContact O-CG2 3.46Å; L186-V249 PolarHBondContact O-N 3.16Å
187E86.3Confident79Confident16 Ų1654.5 Ų54.58%0.07526%0.259CS..SBendtrans-109.1150.9-176.359-87.1-126.800111.3M185 R189 K190M185-E187 HydrophobicContact CE-CG 3.91Å; M185-E187 WeakPolarHBondContact CE-O 3.45Å; E187-R189 VanDerWaalsContact C-N 3.28Å; E187-R189 WeakPolarHBondContact CG-O 3.45Å; E187-K190 HydrophobicContact CG-CD 4.34Å; E187-K190 WeakPolarHBondContact OE1-CD 3.25Å; E187-K190 WeakPolarHBondContact OE1-CE 3.06Å; E187-K190 IonicContact OE1-NZ 3Å; E187-K190 PolarHBondContact OE1-NZ 2.74Å
188Y80.7Confident77.9Confident83 Ų8353 Ų5333%0.32525%0.251SS..SBendtrans-74.1-27.2170-67.7-71.2000111.7S200 K202 V203 E248 V249Y188-S200 WeakPolarHBondContact O-CB 3.26Å; Y188-S200 PolarHBondContact O-N 2.76Å; Y188-K202 HydrophobicContact CD1-CB 4.28Å; Y188-K202 HydrophobicContact CD1-CD 4.44Å; Y188-K202 HydrophobicContact CE1-CD 4.48Å; Y188-V203 HydrophobicContact CD1-CG1 3.49Å; Y188-V203 VanDerWaalsContact CD1-CG1 3.49Å; Y188-V203 HydrophobicContact CE1-CG1 4.3Å; Y188-V203 HydrophobicContact CG-CG1 3.85Å; Y188-E248 HydrophobicContact CD2-CB 3.65Å; Y188-E248 WeakPolarHBondContact CD2-OE2 3.28Å; Y188-E248 HydrophobicContact CE2-CB 3.77Å; Y188-E248 WeakPolarHBondContact CE2-O 3.42Å; Y188-E248 PolarHBondContact N-OE2 2.98Å; Y188-V249 HydrophobicContact CD1-CG2 3.94Å; Y188-V249 HydrophobicContact CD2-CG2 4.43Å; Y188-V249 HydrophobicContact CE1-CG2 3.93Å; Y188-V249 HydrophobicContact CE2-CG2 4.4Å; Y188-V249 HydrophobicContact CG-CG2 4.2Å
189R78.3Confident76.7Confident106 Ų10653.2 Ų53.240%0.425%0.253SS..EExtended strand (participates in β ladder)trans-146.7136.8-177.3-58.1-178-175.3-180-0.3109.8E187 I191 S198 V203E187-R189 VanDerWaalsContact C-N 3.28Å; E187-R189 WeakPolarHBondContact CG-O 3.45Å; R189-I191 PolarHBondContact O-N 2.75Å; R189-S198 WeakPolarHBondContact CA-O 3.3Å; R189-S198 VanDerWaalsContact CB-O 3.24Å; R189-S198 WeakPolarHBondContact CB-O 3.48Å; R189-V203 HydrophobicContact CG-CG2 4.27Å
190K72.1Confident75.8Confident89 Ų8951.6 Ų51.639%0.38724%0.243SC..EExtended strand (participates in β ladder)trans-81117.4172.4-166.271.7174.4176.10109.8E187 P196 I197 S198 V302E187-K190 HydrophobicContact CG-CD 4.34Å; E187-K190 WeakPolarHBondContact OE1-CD 3.25Å; E187-K190 WeakPolarHBondContact OE1-CE 3.06Å; E187-K190 IonicContact OE1-NZ 3Å; E187-K190 PolarHBondContact OE1-NZ 2.74Å; K190-P196 CarbonylContact O-C 3.56Å; K190-P196 WeakPolarHBondContact O-CA 3.48Å; K190-I197 PolarHBondContact O-N 3.17Å; K190-S198 WeakPolarHBondContact CB-OG 3.46Å; K190-S198 PolarHBondContact N-O 3.05Å; K190-S198 PolarHBondContact N-OG 3.21Å; K190-V302 HydrophobicContact CB-CG1 4.12Å; K190-V302 HydrophobicContact CD-CG1 4.14Å; K190-V302 HydrophobicContact CD-CG2 4.39Å; K190-V302 HydrophobicContact CG-CG1 4.08Å
191I59.3Low75Confident99 Ų9950.9 Ų50.951%0.50824%0.24SC..EExtended strand (participates in β ladder)trans-96.1129171.4-58.3176.3000108.8R189 V195R189-I191 PolarHBondContact O-N 2.75Å; I191-V195 WeakPolarHBondContact CA-O 3.22Å
192K54.5Low74Confident138 Ų13853.3 Ų53.360%0.625%0.251SS*.EExtended strand (participates in β ladder)trans-132.7132.7168.7-175.8-179.5-178.6-178.80107.8W194 V195 I197K192-W194 PolarHBondContact O-N 2.89Å; K192-V195 PolarHBondContact N-O 2.78Å; K192-V195 PolarHBondContact O-N 2.89Å; K192-I197 HydrophobicContact CB-CD1 3.47Å; K192-I197 VanDerWaalsContact CB-CD1 3.47Å; K192-I197 HydrophobicContact CB-CG1 4.02Å; K192-I197 HydrophobicContact CD-CD1 3.87Å; K192-I197 HydrophobicContact CG-CD1 4.14Å
193C52.3Low72.7Confident108 Ų10855.2 Ų55.273%0.7326%0.263SS*.THydrogen-bonded Turntrans50.642.1-175.4-56.20000112.5V195C193-V195 PolarHBondContact O-N 3.49Å
194W49Very low71.9Confident249 Ų24956 Ų5694%0.94327%0.267SS*.THydrogen-bonded Turntrans66.86.4-178.3-51.599.5000116.5K192K192-W194 PolarHBondContact O-N 2.89Å
195V47.7Very low70.6Confident55 Ų5564.5 Ų64.533%0.33331%0.306SS..EExtended strand (participates in β ladder)trans-110.1132.5177.6-170.10000110.8L121 I191 K192 C193 I197L121-V195 HydrophobicContact CB-CG1 4Å; L121-V195 HydrophobicContact CD2-CB 3.95Å; L121-V195 HydrophobicContact CD2-CG1 3.47Å; L121-V195 VanDerWaalsContact CD2-CG1 3.47Å; L121-V195 HydrophobicContact CD2-CG2 4.31Å; L121-V195 HydrophobicContact CG-CG1 4.29Å; I191-V195 WeakPolarHBondContact CA-O 3.22Å; K192-V195 PolarHBondContact N-O 2.78Å; K192-V195 PolarHBondContact O-N 2.89Å; C193-V195 PolarHBondContact O-N 3.49Å; V195-I197 PolarHBondContact O-N 2.91Å; V195-I197 VanDerWaalsContact O-N 3.12Å
196P63.2Low69.7Low55 Ų5569.2 Ų69.236%0.35733%0.328SS..EExtended strand (participates in β ladder)trans-67.1109.3169.627.8-33.9000109.7K190K190-P196 CarbonylContact O-C 3.56Å; K190-P196 WeakPolarHBondContact O-CA 3.48Å
197I62.8Low69.2Low37 Ų3769.5 Ų69.519%0.1933%0.334CS..EExtended strand (participates in β ladder)trans-86.6-30.2177.9-62.5-159.6000110.8G119 E122 K190 K192 V195G119-I197 VanDerWaalsContact CA-O 3.27Å; G119-I197 WeakPolarHBondContact CA-O 3.38Å; G119-I197 PolarHBondContact N-O 2.81Å; E122-I197 HydrophobicContact CB-CG2 4.01Å; E122-I197 WeakPolarHBondContact OE2-CG2 3.08Å; K190-I197 PolarHBondContact O-N 3.17Å; K192-I197 HydrophobicContact CB-CD1 3.47Å; K192-I197 VanDerWaalsContact CB-CD1 3.47Å; K192-I197 HydrophobicContact CB-CG1 4.02Å; K192-I197 HydrophobicContact CD-CD1 3.87Å; K192-I197 HydrophobicContact CG-CD1 4.14Å; V195-I197 PolarHBondContact O-N 2.91Å; V195-I197 VanDerWaalsContact O-N 3.12Å
198S70.8Confident69.2Low2 Ų270.1 Ų70.11%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-140.2161.1-176.9850000112.7C95 T116 L117 R189 K190C95-S198 WeakPolarHBondContact SG-CB 3.15Å; T116-S198 WeakPolarHBondContact CG2-OG 3.39Å; L117-S198 CarbonylContact O-C 3.55Å; L117-S198 VanDerWaalsContact O-CA 3.28Å; L117-S198 WeakPolarHBondContact O-CA 3.38Å; L117-S198 WeakPolarHBondContact O-CB 3.37Å; R189-S198 WeakPolarHBondContact CA-O 3.3Å; R189-S198 VanDerWaalsContact CB-O 3.24Å; R189-S198 WeakPolarHBondContact CB-O 3.48Å; K190-S198 WeakPolarHBondContact CB-OG 3.46Å; K190-S198 PolarHBondContact N-O 3.05Å; K190-S198 PolarHBondContact N-OG 3.21Å
199S69.9Low69.7Low12 Ų1266.2 Ų66.28%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-136.5140.7174.557.80000111T116 L117 R166T116-S199 PolarHBondContact OG1-O 2.68Å; L117-S199 WeakPolarHBondContact CB-O 3.3Å; L117-S199 PolarHBondContact N-O 2.77Å; L117-S199 VanDerWaalsContact N-O 3.15Å; L117-S199 PolarHBondContact O-N 2.86Å; R166-S199 PolarHBondContact NH2-OG 3.08Å; R166-S199 VanDerWaalsContact NH2-OG 3.12Å
200S76.3Confident70.2Confident0 Ų067.5 Ų67.50%034%0.336CS..  trans-73.9150168.2172.60000111.2D183 Y188 K202 V203D183-S200 VanDerWaalsContact OD2-CB 3.32Å; D183-S200 WeakPolarHBondContact OD2-CB 3.39Å; D183-S200 PolarHBondContact OD2-OG 3.3Å; Y188-S200 WeakPolarHBondContact O-CB 3.26Å; Y188-S200 PolarHBondContact O-N 2.76Å; S200-K202 PolarHBondContact O-N 3.13Å; S200-K202 VanDerWaalsContact O-N 3.14Å; S200-K202 WeakPolarHBondContact OG-CB 3.21Å; S200-K202 VanDerWaalsContact OG-CD 3.26Å; S200-K202 WeakPolarHBondContact OG-CD 3.34Å; S200-K202 WeakPolarHBondContact OG-CG 3.44Å; S200-K202 PolarHBondContact OG-N 3.38Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; S200-V203 VanDerWaalsContact O-CG2 3.28Å; S200-V203 WeakPolarHBondContact O-CG2 3.23Å; S200-V203 PolarHBondContact O-N 3.01Å
201E81.3Confident71.1Confident7 Ų768.7 Ų68.73%0.03335%0.346CS..G310 helixtrans-50.6-30.4167.4-65.389.3146.900111.5R94 L117 I181 V203 D204 Y209 V214 H300R94-E201 IonicContact CZ-OE1 2.77Å; R94-E201 VanDerWaalsContact CZ-OE1 3.29Å; R94-E201 IonicContact NH1-OE1 3.2Å; R94-E201 PolarHBondContact NH1-OE1 3.22Å; R94-E201 IonicContact NH1-OE2 2.76Å; R94-E201 IonicContact NH2-OE1 3.65Å; R94-E201 PolarHBondContact NH2-OE1 2.83Å; R94-E201 VanDerWaalsContact NH2-OE1 3.08Å; L117-E201 HydrophobicContact CD1-CG 4.16Å; L117-E201 HydrophobicContact CG-CG 4.29Å; I181-E201 HydrophobicContact CG2-CG 4.47Å; E201-V203 PolarHBondContact O-N 3.44Å; E201-V203 VanDerWaalsContact O-N 3.11Å; E201-D204 PolarHBondContact O-N 3.06Å; E201-Y209 HydrophobicContact CB-CD1 4.3Å; E201-Y209 HydrophobicContact CB-CD2 4.2Å; E201-Y209 HydrophobicContact CB-CG 3.95Å; E201-Y209 HydrophobicContact CG-CD1 3.72Å; E201-Y209 HydrophobicContact CG-CD2 4.14Å; E201-Y209 HydrophobicContact CG-CE1 3.93Å; E201-Y209 HydrophobicContact CG-CE2 4.34Å; E201-Y209 HydrophobicContact CG-CG 3.85Å; E201-V214 HydrophobicContact CB-CG1 4.37Å; E201-V214 HydrophobicContact CB-CG2 4.34Å; E201-H300 IonicContact OE1-CD2 3.46Å; E201-H300 IonicContact OE1-CE1 3.76Å; E201-H300 IonicContact OE1-NE2 2.7Å; E201-H300 PolarHBondContact OE1-NE2 2.91Å; E201-H300 IonicContact OE2-CE1 3.22Å; E201-H300 PolarHBondContact OE2-CE1 3.44Å; E201-H300 IonicContact OE2-ND1 2.68Å; E201-H300 IonicContact OE2-NE2 2.93Å; E201-H300 PolarHBondContact OE2-NE2 2.98Å
202K75.5Confident72.7Confident50 Ų5064.8 Ų64.822%0.21733%0.325CS..G310 helixtrans-55.7-25.8176.2-63.3164.9-166.4160.60113.9D183 Y188 S200 V214 P216 V249D183-K202 VanDerWaalsContact CB-CE 3.44Å; D183-K202 VanDerWaalsContact CG-CE 3.44Å; D183-K202 PolarHBondContact O-NZ 3.16Å; D183-K202 IonicContact OD1-NZ 3.52Å; D183-K202 WeakPolarHBondContact OD2-CE 3.26Å; D183-K202 IonicContact OD2-NZ 3.39Å; D183-K202 PolarHBondContact OD2-NZ 2.88Å; Y188-K202 HydrophobicContact CD1-CB 4.28Å; Y188-K202 HydrophobicContact CD1-CD 4.44Å; Y188-K202 HydrophobicContact CE1-CD 4.48Å; S200-K202 PolarHBondContact O-N 3.13Å; S200-K202 VanDerWaalsContact O-N 3.14Å; S200-K202 WeakPolarHBondContact OG-CB 3.21Å; S200-K202 VanDerWaalsContact OG-CD 3.26Å; S200-K202 WeakPolarHBondContact OG-CD 3.34Å; S200-K202 WeakPolarHBondContact OG-CG 3.44Å; S200-K202 PolarHBondContact OG-N 3.38Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; K202-V214 HydrophobicContact CG-CG1 3.83Å; K202-P216 HydrophobicContact CD-CB 4.16Å; K202-V249 HydrophobicContact CD-CG1 4.39Å; K202-V249 HydrophobicContact CD-CG2 4.44Å
203V71Confident74.6Confident41 Ų4160.9 Ų60.925%0.24831%0.313CS..G310 helixtrans-122.823.6-175.1-65.60000112.2Y188 R189 S200 E201 Q205Y188-V203 HydrophobicContact CD1-CG1 3.49Å; Y188-V203 VanDerWaalsContact CD1-CG1 3.49Å; Y188-V203 HydrophobicContact CE1-CG1 4.3Å; Y188-V203 HydrophobicContact CG-CG1 3.85Å; R189-V203 HydrophobicContact CG-CG2 4.27Å; S200-V203 VanDerWaalsContact O-CG2 3.28Å; S200-V203 WeakPolarHBondContact O-CG2 3.23Å; S200-V203 PolarHBondContact O-N 3.01Å; E201-V203 PolarHBondContact O-N 3.44Å; E201-V203 VanDerWaalsContact O-N 3.11Å; V203-Q205 PolarHBondContact O-N 3.47Å; V203-Q205 VanDerWaalsContact O-N 3.15Å
204D77.7Confident76.6Confident17 Ų1757 Ų579%0.09129%0.286CS..  trans-66.4112.7173.1-173.763.6000110.6R166 E201 Q206 G207 R208 Y209R166-D204 IonicContact NH1-OD1 2.74Å; R166-D204 PolarHBondContact NH1-OD1 3.41Å; E201-D204 PolarHBondContact O-N 3.06Å; D204-Q206 PolarHBondContact O-N 3.01Å; D204-Q206 VanDerWaalsContact O-N 3.13Å; D204-G207 PolarHBondContact O-N 3.02Å; D204-G207 PolarHBondContact OD2-N 3.02Å; D204-R208 IonicContact OD1-CZ 2.9Å; D204-R208 IonicContact OD1-NH1 3.08Å; D204-R208 PolarHBondContact OD1-NH1 2.83Å; D204-R208 IonicContact OD1-NH2 3.3Å; D204-R208 PolarHBondContact OD1-NH2 3.02Å; D204-R208 IonicContact OD2-CZ 3.59Å; D204-R208 PolarHBondContact OD2-N 3.34Å; D204-R208 IonicContact OD2-NH1 3.29Å; D204-R208 PolarHBondContact OD2-NH1 3.38Å; D204-R208 IonicContact OD2-NH2 2.74Å; D204-Y209 HydrophobicContact CB-CD2 3.8Å; D204-Y209 HydrophobicContact CB-CE2 4.26Å
205Q68.4Low78.7Confident177 Ų17745.2 Ų45.283%0.82724%0.241SC*.THydrogen-bonded Turntrans-64.1-21.9-172.3-67178.8-29.900113.8V203V203-Q205 PolarHBondContact O-N 3.47Å; V203-Q205 VanDerWaalsContact O-N 3.15Å
206Q75.1Confident80.9Confident99 Ų9943.1 Ų43.146%0.46323%0.229SC..THydrogen-bonded Turntrans-94.1-5.3-179.7-74.7171.1-15.600112.5E163 D204 R208E163-Q206 VanDerWaalsContact CD-NE2 3.31Å; E163-Q206 PolarHBondContact OE1-NE2 3.03Å; D204-Q206 PolarHBondContact O-N 3.01Å; D204-Q206 VanDerWaalsContact O-N 3.13Å; Q206-R208 HydrophobicContact CB-CG 3.89Å; Q206-R208 PolarHBondContact O-N 3.49Å
207G81Confident82.5Confident19 Ų1940.5 Ų40.520%0.19621%0.212CC..  trans6324.9-178.100000113.3D204 Y209 N210D204-G207 PolarHBondContact O-N 3.02Å; D204-G207 PolarHBondContact OD2-N 3.02Å; G207-Y209 PolarHBondContact O-N 3.1Å; G207-N210 WeakPolarHBondContact CA-ND2 3.5Å; G207-N210 WeakPolarHBondContact O-CB 3.38Å; G207-N210 PolarHBondContact O-N 3.47Å; G207-N210 PolarHBondContact O-ND2 2.96Å
208R87Confident84.1Confident29 Ų2938.7 Ų38.711%0.10920%0.203CC..G310 helixtrans-61.6-29.4-176.2-68.4-173.9-106.56616.2112.4R166 D167 D204 Q206 N210R166-R208 VanDerWaalsContact CD-CZ 3.46Å; D167-R208 WeakPolarHBondContact OD1-CD 3.12Å; D204-R208 IonicContact OD1-CZ 2.9Å; D204-R208 IonicContact OD1-NH1 3.08Å; D204-R208 PolarHBondContact OD1-NH1 2.83Å; D204-R208 IonicContact OD1-NH2 3.3Å; D204-R208 PolarHBondContact OD1-NH2 3.02Å; D204-R208 IonicContact OD2-CZ 3.59Å; D204-R208 PolarHBondContact OD2-N 3.34Å; D204-R208 IonicContact OD2-NH1 3.29Å; D204-R208 PolarHBondContact OD2-NH1 3.38Å; D204-R208 IonicContact OD2-NH2 2.74Å; Q206-R208 HydrophobicContact CB-CG 3.89Å; Q206-R208 PolarHBondContact O-N 3.49Å; R208-N210 VanDerWaalsContact C-N 3.33Å
209Y90.8Very high85.4Confident1 Ų138.6 Ų38.60%0.00420%0.202CC..G310 helixtrans-88.44.8179.5-59.8-87.6000113.5L117 D169 C170 I173 I181 E201 D204 G207 D211 F212L117-Y209 HydrophobicContact CD1-CD2 4.38Å; L117-Y209 HydrophobicContact CD1-CE2 3.59Å; L117-Y209 HydrophobicContact CD2-CE1 4.39Å; L117-Y209 HydrophobicContact CD2-CE2 4.21Å; L117-Y209 WeakPolarHBondContact CD2-OH 3.08Å; D169-Y209 PolarHBondContact OD2-OH 3.4Å; D169-Y209 VanDerWaalsContact OD2-OH 3.13Å; C170-Y209 VanDerWaalsContact SG-CE1 3.53Å; I173-Y209 HydrophobicContact CD1-CD1 4.31Å; I173-Y209 HydrophobicContact CD1-CE1 3.92Å; I181-Y209 HydrophobicContact CD1-CD1 4.02Å; E201-Y209 HydrophobicContact CB-CD1 4.3Å; E201-Y209 HydrophobicContact CB-CD2 4.2Å; E201-Y209 HydrophobicContact CB-CG 3.95Å; E201-Y209 HydrophobicContact CG-CD1 3.72Å; E201-Y209 HydrophobicContact CG-CD2 4.14Å; E201-Y209 HydrophobicContact CG-CE1 3.93Å; E201-Y209 HydrophobicContact CG-CE2 4.34Å; E201-Y209 HydrophobicContact CG-CG 3.85Å; D204-Y209 HydrophobicContact CB-CD2 3.8Å; D204-Y209 HydrophobicContact CB-CE2 4.26Å; G207-Y209 PolarHBondContact O-N 3.1Å; Y209-D211 PolarHBondContact O-N 2.9Å; Y209-F212 HydrophobicContact CD1-CD2 4.26Å; Y209-F212 HydrophobicContact CD1-CE2 4.36Å; Y209-F212 PolarHBondContact O-N 3.34Å
210N88Confident86.6Confident134 Ų13438.1 Ų38.172%0.71720%0.199SC*.G310 helixtrans-68.4-16.7-179.7-68.9-10.5000113.4G207 R208 F212G207-N210 WeakPolarHBondContact CA-ND2 3.5Å; G207-N210 WeakPolarHBondContact O-CB 3.38Å; G207-N210 PolarHBondContact O-N 3.47Å; G207-N210 PolarHBondContact O-ND2 2.96Å; R208-N210 VanDerWaalsContact C-N 3.33Å; N210-F212 PolarHBondContact O-N 3.42Å
211D90.6Very high87.3Confident113 Ų11338.2 Ų38.260%0.60420%0.2SC*.G310 helixtrans-67.6-15.2171.6-65.2-16.5000112.2R174 Y209R174-D211 IonicContact CZ-OD2 3.65Å; R174-D211 IonicContact NE-OD2 2.91Å; R174-D211 PolarHBondContact NE-OD2 3.39Å; R174-D211 IonicContact NH2-OD2 3.68Å; R174-D211 PolarHBondContact NH2-OD2 3.04Å; Y209-D211 PolarHBondContact O-N 2.9Å
212F94.4Very high87.9Confident17 Ų1738.5 Ų38.58%0.07520%0.203CC..SBendtrans-111.6157.6-179.4-48.2-75.8000111.3C170 I173 R174 V178 I181 Y209 N210 V214C170-F212 HydrophobicContact CB-CE2 4.28Å; I173-F212 HydrophobicContact CB-CE1 4.02Å; I173-F212 HydrophobicContact CB-CE2 4.34Å; I173-F212 HydrophobicContact CB-CZ 3.7Å; I173-F212 HydrophobicContact CG2-CD1 3.78Å; I173-F212 HydrophobicContact CG2-CD2 4.49Å; I173-F212 HydrophobicContact CG2-CE1 3.27Å; I173-F212 HydrophobicContact CG2-CE2 4.05Å; I173-F212 HydrophobicContact CG2-CG 4.37Å; I173-F212 HydrophobicContact CG2-CZ 3.41Å; I173-F212 VanDerWaalsContact CG2-CZ 3.41Å; R174-F212 HydrophobicContact CG-CE1 3.93Å; R174-F212 HydrophobicContact CG-CZ 3.74Å; V178-F212 WeakPolarHBondContact O-CD1 3.31Å; I181-F212 HydrophobicContact CD1-CB 3.79Å; I181-F212 HydrophobicContact CD1-CD2 3.87Å; I181-F212 HydrophobicContact CD1-CG 3.9Å; I181-F212 HydrophobicContact CG1-CB 4.04Å; I181-F212 HydrophobicContact CG1-CG 4.41Å; Y209-F212 HydrophobicContact CD1-CD2 4.26Å; Y209-F212 HydrophobicContact CD1-CE2 4.36Å; Y209-F212 PolarHBondContact O-N 3.34Å; N210-F212 PolarHBondContact O-N 3.42Å; F212-V214 PolarHBondContact O-N 3.5Å
213V94.2Very high88.7Confident56 Ų5638.7 Ų38.734%0.33920%0.204SC..EExtended strand (participates in β ladder)trans-86.796.9171.6-176.40000108.6T179 Y180 I181 I215 P257T179-V213 HydrophobicContact CG2-CG2 4.41Å; T179-V213 PolarHBondContact O-N 2.84Å; Y180-V213 WeakPolarHBondContact CA-O 3.41Å; Y180-V213 HydrophobicContact CD1-CB 3.74Å; Y180-V213 HydrophobicContact CD1-CG1 3.98Å; Y180-V213 HydrophobicContact CD1-CG2 4.26Å; Y180-V213 HydrophobicContact CE1-CB 4.16Å; Y180-V213 HydrophobicContact CE1-CG1 4.35Å; Y180-V213 HydrophobicContact CE1-CG2 4.21Å; I181-V213 PolarHBondContact N-O 2.93Å; V213-I215 HydrophobicContact CG1-CD1 4.31Å; V213-I215 HydrophobicContact CG1-CG1 3.91Å; V213-I215 PolarHBondContact O-N 3.46Å; V213-P257 HydrophobicContact CG1-CG 4.21Å
214V93.5Very high89.9Confident28 Ų2837 Ų3717%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-82.3113176.3-175.20000110I181 E201 K202 F212 P216I181-V214 HydrophobicContact CB-CG2 4.29Å; I181-V214 HydrophobicContact CD1-CG2 4.31Å; I181-V214 CarbonylContact O-C 3.59Å; I181-V214 WeakPolarHBondContact O-CA 3.41Å; E201-V214 HydrophobicContact CB-CG1 4.37Å; E201-V214 HydrophobicContact CB-CG2 4.34Å; K202-V214 HydrophobicContact CG-CG1 3.83Å; F212-V214 PolarHBondContact O-N 3.5Å; V214-P216 WeakPolarHBondContact O-CD 3.25Å
215I94.3Very high90.9Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-106.7107.5-176.9-49.9177.4000109.5Y180 I181 D183 V213 L217 I256 P257 L285 L289Y180-I215 HydrophobicContact CD1-CD1 4.08Å; I181-I215 PolarHBondContact O-N 2.88Å; D183-I215 PolarHBondContact N-O 2.89Å; D183-I215 VanDerWaalsContact N-O 3.09Å; V213-I215 HydrophobicContact CG1-CD1 4.31Å; V213-I215 HydrophobicContact CG1-CG1 3.91Å; V213-I215 PolarHBondContact O-N 3.46Å; I215-L217 HydrophobicContact CG2-CD1 4.38Å; I215-L217 HydrophobicContact CG2-CD2 3.85Å; I215-L217 HydrophobicContact CG2-CG 3.86Å; I215-L217 PolarHBondContact O-N 3.31Å; I215-I256 HydrophobicContact CG2-CG1 4.28Å; I215-P257 HydrophobicContact CD1-CG 4.21Å; I215-L285 HydrophobicContact CG2-CD2 4.22Å; I215-L289 HydrophobicContact CD1-CD1 3.52Å
216P94Very high92.2Very high11 Ų1132.9 Ų32.97%0.07117%0.169CC..EExtended strand (participates in β ladder)trans-68.7112.6171.625.3-30.5000110.8K202 V214 P218 V249 L255K202-P216 HydrophobicContact CD-CB 4.16Å; V214-P216 WeakPolarHBondContact O-CD 3.25Å; P216-P218 VanDerWaalsContact C-CD 3.46Å; P216-P218 WeakPolarHBondContact O-CD 3.19Å; P216-V249 HydrophobicContact CB-CG1 3.65Å; P216-L255 HydrophobicContact CG-CD1 4.43Å
217L96Very high93.2Very high0 Ų032.4 Ų32.40%017%0.169CC..  trans-121.763.8176.9-65.3-179.6000110.1C182 D183 F184 I215 Y219 Y282 L285 L286C182-L217 HydrophobicContact CB-CD1 4.14Å; D183-L217 CarbonylContact O-C 3.07Å; D183-L217 PolarHBondContact O-N 3.46Å; F184-L217 VanDerWaalsContact CA-O 3.3Å; F184-L217 WeakPolarHBondContact CA-O 3.42Å; F184-L217 HydrophobicContact CD1-CB 3.86Å; F184-L217 WeakPolarHBondContact CD1-O 3.27Å; F184-L217 HydrophobicContact CE1-CB 4.03Å; F184-L217 HydrophobicContact CE1-CD1 4.04Å; I215-L217 HydrophobicContact CG2-CD1 4.38Å; I215-L217 HydrophobicContact CG2-CD2 3.85Å; I215-L217 HydrophobicContact CG2-CG 3.86Å; I215-L217 PolarHBondContact O-N 3.31Å; L217-Y219 PolarHBondContact O-N 3.21Å; L217-Y282 HydrophobicContact CB-CD2 4.05Å; L217-Y282 HydrophobicContact CB-CE1 4.45Å; L217-Y282 HydrophobicContact CB-CE2 3.67Å; L217-Y282 HydrophobicContact CD2-CD1 4.08Å; L217-Y282 HydrophobicContact CD2-CE1 3.85Å; L217-Y282 VanDerWaalsContact O-CE2 3.3Å; L217-Y282 WeakPolarHBondContact O-CE2 3.35Å; L217-L285 HydrophobicContact CD1-CD2 4.12Å; L217-L285 HydrophobicContact CD2-CD2 3.87Å; L217-L286 HydrophobicContact CD1-CD2 4.32Å
218P95.9Very high94Very high0 Ų031.5 Ų31.50%016%0.159CC..  trans-53.5129.2-175.926.8-36.9000110.6L186 P216 W242 V249 V251 Y270 Y282L186-P218 HydrophobicContact CD2-CB 3.77Å; P216-P218 VanDerWaalsContact C-CD 3.46Å; P216-P218 WeakPolarHBondContact O-CD 3.19Å; P218-W242 HydrophobicContact CB-CH2 4.49Å; P218-W242 HydrophobicContact CB-CZ3 4.02Å; P218-W242 HydrophobicContact CG-CZ3 4.15Å; P218-W242 WeakPolarHBondContact O-CH2 3.45Å; P218-V249 HydrophobicContact CB-CB 4.46Å; P218-V249 HydrophobicContact CB-CG1 4.31Å; P218-V249 HydrophobicContact CG-CG1 4.34Å; P218-V251 HydrophobicContact CG-CG2 3.9Å; P218-Y270 HydrophobicContact CG-CE2 4.19Å; P218-Y282 WeakPolarHBondContact O-CE2 3.28Å; P218-Y282 PolarHBondContact O-OH 2.99Å
219Y97.4Very high94.5Very high0 Ų033.6 Ų33.60%017%0.167CC..  trans-138.5144.4-176.1-168.3-91000110.4F184 L217 F225 I275 I278 T279 Y282 R307 L310 F311F184-Y219 PolarHBondContact O-N 3.2Å; L217-Y219 PolarHBondContact O-N 3.21Å; Y219-F225 HydrophobicContact CE1-CE2 4.45Å; Y219-F225 AromaticContact CE1-CZ 3.92Å; Y219-F225 HydrophobicContact CE1-CZ 3.92Å; Y219-I275 HydrophobicContact CE1-CD1 4.34Å; Y219-I275 HydrophobicContact CE2-CD1 4.08Å; Y219-I275 WeakPolarHBondContact OH-CD1 3.37Å; Y219-I278 HydrophobicContact CD2-CD1 4.47Å; Y219-I278 HydrophobicContact CD2-CG1 4.43Å; Y219-I278 HydrophobicContact CD2-CG2 4.45Å; Y219-I278 HydrophobicContact CE2-CG2 4.02Å; Y219-T279 WeakPolarHBondContact CE2-OG1 3.43Å; Y219-T279 PolarHBondContact OH-OG1 3.25Å; Y219-Y282 AromaticContact CD2-CD2 3.97Å; Y219-Y282 HydrophobicContact CD2-CD2 3.97Å; Y219-Y282 AromaticContact CD2-CE2 3.94Å; Y219-Y282 HydrophobicContact CD2-CE2 3.94Å; Y219-R307 HydrophobicContact CD1-CG 3.79Å; Y219-R307 HydrophobicContact CE1-CG 4.47Å; Y219-R307 WeakPolarHBondContact O-CD 3.38Å; Y219-R307 PolarHBondContact O-NH1 3.24Å; Y219-L310 HydrophobicContact CD1-CD2 4.49Å; Y219-L310 HydrophobicContact CE1-CD2 3.57Å; Y219-F311 HydrophobicContact CD1-CE2 4.22Å; Y219-F311 HydrophobicContact CD2-CE2 4.08Å; Y219-F311 AromaticContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CE1-CE2 4.46Å; Y219-F311 HydrophobicContact CE2-CE2 4.35Å; Y219-F311 AromaticContact CE2-CZ 3.74Å; Y219-F311 HydrophobicContact CE2-CZ 3.74Å; Y219-F311 HydrophobicContact CG-CE2 4Å; Y219-F311 HydrophobicContact CG-CZ 4.09Å
220P95.4Very high94.8Very high1 Ų138.3 Ų38.31%0.00619%0.193CC..  trans-53.1140.5-176.4-28.637000114.2F224 F240 I275 R307P220-F224 HydrophobicContact CB-CB 3.52Å; P220-F224 HydrophobicContact CB-CD1 3.66Å; P220-F224 HydrophobicContact CB-CD2 4.23Å; P220-F224 HydrophobicContact CB-CE1 4.42Å; P220-F224 HydrophobicContact CB-CG 3.53Å; P220-F224 HydrophobicContact CG-CD1 4.13Å; P220-F224 HydrophobicContact CG-CE1 4.42Å; P220-F224 HydrophobicContact CG-CG 4.23Å; P220-F240 HydrophobicContact CB-CD2 3.62Å; P220-F240 HydrophobicContact CB-CE2 3.97Å; P220-F240 HydrophobicContact CB-CG 4.2Å; P220-F240 HydrophobicContact CG-CB 3.73Å; P220-F240 HydrophobicContact CG-CD1 4.4Å; P220-F240 HydrophobicContact CG-CD2 3.61Å; P220-F240 HydrophobicContact CG-CE2 4.32Å; P220-F240 HydrophobicContact CG-CG 3.66Å; P220-I275 HydrophobicContact CG-CD1 4.02Å; P220-R307 WeakPolarHBondContact O-CD 3.46Å
221G92.1Very high95.2Very high3 Ų334.4 Ų34.43%0.03118%0.176CC..  trans-70.2175.9175.900000113E223 F224G221-E223 VanDerWaalsContact CA-OE2 3.27Å; G221-E223 WeakPolarHBondContact CA-OE2 3.29Å; G221-E223 PolarHBondContact O-N 3.04Å; G221-F224 WeakPolarHBondContact O-CB 3.12Å; G221-F224 PolarHBondContact O-N 3.44Å; G221-F224 VanDerWaalsContact O-N 3.11Å
222S92.7Very high95.5Very high12 Ų1231.7 Ų31.78%0.08418%0.175CC..THydrogen-bonded Turntrans-59.9-31.5-178.661.20000112.3F224 F225 R353 E358S222-F224 PolarHBondContact O-N 3.39Å; S222-F225 WeakPolarHBondContact O-CB 3.38Å; S222-F225 PolarHBondContact O-N 3.32Å; S222-R353 VanDerWaalsContact OG-CZ 3.23Å; S222-R353 PolarHBondContact OG-NE 3.15Å; S222-R353 PolarHBondContact OG-NH1 3.15Å; S222-E358 VanDerWaalsContact CB-OE2 3.26Å; S222-E358 WeakPolarHBondContact CB-OE2 3.44Å; S222-E358 WeakPolarHBondContact O-CB 3.39Å; S222-E358 WeakPolarHBondContact O-CG 3.15Å; S222-E358 PolarHBondContact OG-OE2 2.93Å
223E93.5Very high95.6Very high55 Ų5534.3 Ų34.326%0.25719%0.185SC..THydrogen-bonded Turntrans-61.2-25.7178.672.5-74.8178.200113.5G221 F225 R226 R244 E358G221-E223 VanDerWaalsContact CA-OE2 3.27Å; G221-E223 WeakPolarHBondContact CA-OE2 3.29Å; G221-E223 PolarHBondContact O-N 3.04Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 PolarHBondContact O-N 2.76Å; E223-R226 WeakPolarHBondContact O-CB 3.47Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-R244 IonicContact OE1-NH1 3.71Å; E223-E358 WeakPolarHBondContact CA-OE1 3.38Å
224F96.5Very high95.7Very high4 Ų433.4 Ų33.42%0.01818%0.183CC..Hα-helixtrans-68.6-29.5176179.3-100.1000111.9P220 G221 S222 R226 I227 W228 V238 Y239 F240 I275P220-F224 HydrophobicContact CB-CB 3.52Å; P220-F224 HydrophobicContact CB-CD1 3.66Å; P220-F224 HydrophobicContact CB-CD2 4.23Å; P220-F224 HydrophobicContact CB-CE1 4.42Å; P220-F224 HydrophobicContact CB-CG 3.53Å; P220-F224 HydrophobicContact CG-CD1 4.13Å; P220-F224 HydrophobicContact CG-CE1 4.42Å; P220-F224 HydrophobicContact CG-CG 4.23Å; G221-F224 WeakPolarHBondContact O-CB 3.12Å; G221-F224 PolarHBondContact O-N 3.44Å; G221-F224 VanDerWaalsContact O-N 3.11Å; S222-F224 PolarHBondContact O-N 3.39Å; F224-R226 PolarHBondContact O-N 2.94Å; F224-I227 HydrophobicContact CD2-CD1 4.23Å; F224-I227 WeakPolarHBondContact O-CA 3.28Å; F224-I227 WeakPolarHBondContact O-CB 3.42Å; F224-I227 PolarHBondContact O-N 3.47Å; F224-W228 PolarHBondContact O-N 2.91Å; F224-V238 HydrophobicContact CE1-CG1 4.4Å; F224-V238 HydrophobicContact CE2-CG1 4.46Å; F224-V238 HydrophobicContact CZ-CG1 3.78Å; F224-Y239 WeakPolarHBondContact CE2-O 3.35Å; F224-F240 HydrophobicContact CB-CD2 4.47Å; F224-F240 HydrophobicContact CD2-CB 4.43Å; F224-F240 AromaticContact CD2-CD2 3.59Å; F224-F240 HydrophobicContact CD2-CD2 3.59Å; F224-F240 HydrophobicContact CD2-CE2 4.41Å; F224-F240 HydrophobicContact CD2-CG 4.5Å; F224-F240 HydrophobicContact CE2-CB 4.01Å; F224-F240 HydrophobicContact CE2-CD2 4.02Å; F224-F240 HydrophobicContact CG-CD2 4.15Å; F224-F240 HydrophobicContact CZ-CB 4.41Å; F224-I275 HydrophobicContact CD1-CD1 4.16Å; F224-I275 HydrophobicContact CE1-CB 3.88Å; F224-I275 HydrophobicContact CE1-CD1 3.65Å; F224-I275 HydrophobicContact CE1-CG1 3.74Å; F224-I275 HydrophobicContact CZ-CB 4.26Å; F224-I275 HydrophobicContact CZ-CD1 4.5Å
225F97.3Very high95.8Very high0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-71.6-13.9-179.3-65-79.5000113.2Y219 S222 E223 W228 R229 I360 F363Y219-F225 HydrophobicContact CE1-CE2 4.45Å; Y219-F225 AromaticContact CE1-CZ 3.92Å; Y219-F225 HydrophobicContact CE1-CZ 3.92Å; S222-F225 WeakPolarHBondContact O-CB 3.38Å; S222-F225 PolarHBondContact O-N 3.32Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 PolarHBondContact O-N 2.76Å; F225-W228 HydrophobicContact CD1-CE3 4.46Å; F225-R229 WeakPolarHBondContact O-CB 3.16Å; F225-R229 PolarHBondContact O-N 3.12Å; F225-I360 HydrophobicContact CB-CB 4.28Å; F225-I360 HydrophobicContact CD1-CB 4.29Å; F225-I360 HydrophobicContact CD1-CG1 4.28Å; F225-I360 HydrophobicContact CD2-CB 3.64Å; F225-I360 HydrophobicContact CD2-CD1 3.85Å; F225-I360 HydrophobicContact CD2-CG1 3.69Å; F225-I360 HydrophobicContact CE1-CG1 4.14Å; F225-I360 HydrophobicContact CE2-CB 4.03Å; F225-I360 HydrophobicContact CE2-CD1 3.4Å; F225-I360 HydrophobicContact CE2-CG1 3.5Å; F225-I360 HydrophobicContact CG-CB 3.76Å; F225-I360 HydrophobicContact CG-CG1 4.06Å; F225-I360 HydrophobicContact CZ-CD1 3.94Å; F225-I360 HydrophobicContact CZ-CG1 3.74Å; F225-F363 HydrophobicContact CD1-CB 3.6Å; F225-F363 HydrophobicContact CD1-CD1 4.11Å; F225-F363 HydrophobicContact CD1-CD2 4.06Å; F225-F363 AromaticContact CD1-CG 3.65Å; F225-F363 HydrophobicContact CD1-CG 3.65Å; F225-F363 HydrophobicContact CE1-CB 3.77Å; F225-F363 AromaticContact CE1-CD1 3.34Å; F225-F363 HydrophobicContact CE1-CD1 3.34Å; F225-F363 AromaticContact CE1-CD2 3.75Å; F225-F363 HydrophobicContact CE1-CD2 3.75Å; F225-F363 AromaticContact CE1-CE1 3.81Å; F225-F363 HydrophobicContact CE1-CE1 3.81Å; F225-F363 HydrophobicContact CE1-CE2 4.18Å; F225-F363 AromaticContact CE1-CG 3.31Å; F225-F363 HydrophobicContact CE1-CG 3.31Å; F225-F363 HydrophobicContact CE1-CZ 4.21Å; F225-F363 HydrophobicContact CZ-CD1 4.09Å; F225-F363 HydrophobicContact CZ-CE1 4.35Å; F225-F363 HydrophobicContact CZ-CG 4.44Å
226R97.2Very high95.8Very high109 Ų10936.4 Ų36.441%0.41120%0.195SC..Hα-helixtrans-69.9-45.1163.2-173.5177.465.9-158.20111.9E223 F224 W228 R229 D230 L356 G357E223-R226 WeakPolarHBondContact O-CB 3.47Å; E223-R226 PolarHBondContact O-N 3.08Å; F224-R226 PolarHBondContact O-N 2.94Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 3.21Å; R226-R229 WeakPolarHBondContact O-CB 3.48Å; R226-R229 PolarHBondContact O-N 3.19Å; R226-D230 WeakPolarHBondContact O-CB 3.12Å; R226-D230 PolarHBondContact O-N 3.42Å; R226-L356 WeakPolarHBondContact CD-O 3.47Å; R226-G357 WeakPolarHBondContact CA-O 3.31Å; R226-G357 WeakPolarHBondContact CB-O 3.18Å
227I96.1Very high95.9Very high88 Ų8842.8 Ų42.845%0.45122%0.224SC..Hα-helixtrans-61.4-43.4176-58.4172.6000110F224 D230 S231F224-I227 HydrophobicContact CD2-CD1 4.23Å; F224-I227 WeakPolarHBondContact O-CA 3.28Å; F224-I227 WeakPolarHBondContact O-CB 3.42Å; F224-I227 PolarHBondContact O-N 3.47Å; I227-D230 PolarHBondContact O-N 3.43Å; I227-S231 PolarHBondContact O-N 3.3Å
228W97.6Very high96Very high0 Ų043.4 Ų43.40%023%0.227CC..Hα-helixtrans-59.5-47.3174.1169.674.1000112.4F224 F225 R226 D230 S231 Y233 A234 M235 E359 F363 Q366F224-W228 PolarHBondContact O-N 2.91Å; F225-W228 HydrophobicContact CD1-CE3 4.46Å; R226-W228 VanDerWaalsContact C-N 3.31Å; R226-W228 PolarHBondContact O-N 3.21Å; W228-D230 VanDerWaalsContact C-N 3.35Å; W228-D230 PolarHBondContact O-N 3.5Å; W228-S231 WeakPolarHBondContact O-CB 3.25Å; W228-S231 PolarHBondContact O-N 2.85Å; W228-S231 PolarHBondContact O-OG 3.46Å; W228-Y233 HydrophobicContact CD2-CD1 4.42Å; W228-Y233 HydrophobicContact CE3-CD1 4.03Å; W228-Y233 AromaticContact CH2-CD1 3.53Å; W228-Y233 HydrophobicContact CH2-CD1 3.53Å; W228-Y233 HydrophobicContact CH2-CE1 4.29Å; W228-Y233 HydrophobicContact CH2-CG 4.41Å; W228-Y233 AromaticContact CZ2-CD1 3.91Å; W228-Y233 HydrophobicContact CZ2-CD1 3.91Å; W228-Y233 HydrophobicContact CZ2-CG 4.43Å; W228-Y233 AromaticContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CE1 4.04Å; W228-Y233 PolarHBondContact O-N 3.5Å; W228-A234 PolarHBondContact NE1-O 3.37Å; W228-A234 VanDerWaalsContact NE1-O 3.08Å; W228-M235 HydrophobicContact CZ2-CE 4.33Å; W228-E359 HydrophobicContact CZ3-CB 4.19Å; W228-F363 HydrophobicContact CD2-CB 4.37Å; W228-F363 AromaticContact CD2-CD2 3.94Å; W228-F363 HydrophobicContact CD2-CD2 3.94Å; W228-F363 AromaticContact CE2-CD2 3.65Å; W228-F363 HydrophobicContact CE3-CB 4.04Å; W228-F363 HydrophobicContact CE3-CD2 4.46Å; W228-F363 HydrophobicContact CG-CD2 4.29Å; W228-F363 HydrophobicContact CH2-CB 3.76Å; W228-F363 HydrophobicContact CH2-CD2 4.39Å; W228-F363 HydrophobicContact CZ2-CB 4.14Å; W228-F363 AromaticContact CZ2-CD2 3.89Å; W228-F363 HydrophobicContact CZ2-CD2 3.89Å; W228-F363 HydrophobicContact CZ3-CB 3.73Å; W228-F363 AromaticContact NE1-CD2 3.87Å; W228-Q366 HydrophobicContact CZ2-CB 4.37Å
229R97.2Very high96Very high73 Ų7349.2 Ų49.228%0.27525%0.25SS..Hα-helixtrans-57.4-48.6174.2-179.5-160.669.5175.1-2.5111.3F225 R226 S231 G232 Y233 E359F225-R229 WeakPolarHBondContact O-CB 3.16Å; F225-R229 PolarHBondContact O-N 3.12Å; R226-R229 WeakPolarHBondContact O-CB 3.48Å; R226-R229 PolarHBondContact O-N 3.19Å; R229-S231 PolarHBondContact O-N 2.88Å; R229-G232 PolarHBondContact O-N 3.28Å; R229-Y233 HydrophobicContact CB-CD1 4.39Å; R229-Y233 HydrophobicContact CB-CE1 3.96Å; R229-Y233 HydrophobicContact CG-CD1 4.33Å; R229-Y233 HydrophobicContact CG-CE1 3.51Å; R229-Y233 PolarHBondContact O-N 3.15Å; R229-E359 WeakPolarHBondContact CD-OE1 3.36Å
230D96.8Very high96Very high101 Ų10150.1 Ų50.154%0.5425%0.254SS..Hα-helixtrans-66.6-19.6-178.3-61.4-11.4000112.4R226 I227 W228 G232R226-D230 WeakPolarHBondContact O-CB 3.12Å; R226-D230 PolarHBondContact O-N 3.42Å; I227-D230 PolarHBondContact O-N 3.43Å; W228-D230 VanDerWaalsContact C-N 3.35Å; W228-D230 PolarHBondContact O-N 3.5Å; D230-G232 PolarHBondContact O-N 3.22Å
231S96.1Very high96Very high51 Ų5154.4 Ų54.436%0.35728%0.277SS..THydrogen-bonded Turntrans-75.14.3169.980.80000114.2I227 W228 R229 A234 V238I227-S231 PolarHBondContact O-N 3.3Å; W228-S231 WeakPolarHBondContact O-CB 3.25Å; W228-S231 PolarHBondContact O-N 2.85Å; W228-S231 PolarHBondContact O-OG 3.46Å; R229-S231 PolarHBondContact O-N 2.88Å; S231-A234 PolarHBondContact OG-N 3.17Å; S231-V238 WeakPolarHBondContact OG-CG2 3.49Å
232G96.7Very high96.1Very high57 Ų5755.1 Ų55.159%0.58828%0.279SS*.THydrogen-bonded Turntrans76.730.3-173.700000112.6R229 D230 A234R229-G232 PolarHBondContact O-N 3.28Å; D230-G232 PolarHBondContact O-N 3.22Å; G232-A234 VanDerWaalsContact C-N 3.26Å; G232-A234 PolarHBondContact O-N 3.05Å
233Y97Very high96.1Very high72 Ų7261.4 Ų61.428%0.28231%0.312SS..SBendtrans61.528.3-178.4-49.1-75.5000114.5W228 R229 M235 E359 R362 Q366W228-Y233 HydrophobicContact CD2-CD1 4.42Å; W228-Y233 HydrophobicContact CE3-CD1 4.03Å; W228-Y233 AromaticContact CH2-CD1 3.53Å; W228-Y233 HydrophobicContact CH2-CD1 3.53Å; W228-Y233 HydrophobicContact CH2-CE1 4.29Å; W228-Y233 HydrophobicContact CH2-CG 4.41Å; W228-Y233 AromaticContact CZ2-CD1 3.91Å; W228-Y233 HydrophobicContact CZ2-CD1 3.91Å; W228-Y233 HydrophobicContact CZ2-CG 4.43Å; W228-Y233 AromaticContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CE1 4.04Å; W228-Y233 PolarHBondContact O-N 3.5Å; R229-Y233 HydrophobicContact CB-CD1 4.39Å; R229-Y233 HydrophobicContact CB-CE1 3.96Å; R229-Y233 HydrophobicContact CG-CD1 4.33Å; R229-Y233 HydrophobicContact CG-CE1 3.51Å; R229-Y233 PolarHBondContact O-N 3.15Å; Y233-M235 PolarHBondContact O-N 2.8Å; Y233-E359 WeakPolarHBondContact CE1-OE2 3.28Å; Y233-E359 PolarHBondContact OH-OE2 2.83Å; Y233-R362 VanDerWaalsContact CE1-CZ 3.48Å; Y233-R362 VanDerWaalsContact CG-NH1 3.35Å; Y233-Q366 PolarHBondContact O-NE2 2.89Å
234A96.5Very high95.8Very high37 Ų3764.6 Ų64.631%0.30632%0.321SS..  trans-63.8128.5178.300000110.7W228 S231 G232 V238W228-A234 PolarHBondContact NE1-O 3.37Å; W228-A234 VanDerWaalsContact NE1-O 3.08Å; S231-A234 PolarHBondContact OG-N 3.17Å; G232-A234 VanDerWaalsContact C-N 3.26Å; G232-A234 PolarHBondContact O-N 3.05Å; A234-V238 HydrophobicContact CB-CG2 3.82Å; A234-V238 WeakPolarHBondContact O-CG2 3.29Å
235M94.7Very high95.2Very high8 Ų869.8 Ų69.84%0.03936%0.358CS..SBendtrans-83-35.8177.6-80-71.2-164.900112.5W228 Y233 Y276 F363 Q366 F367 E370W228-M235 HydrophobicContact CZ2-CE 4.33Å; Y233-M235 PolarHBondContact O-N 2.8Å; M235-Y276 VanDerWaalsContact O-CB 3.24Å; M235-Y276 WeakPolarHBondContact O-CB 3.47Å; M235-F363 HydrophobicContact CE-CD2 4.14Å; M235-F363 HydrophobicContact CE-CE2 4.13Å; M235-F363 HydrophobicContact SD-CD2 4.2Å; M235-F363 HydrophobicContact SD-CE2 3.73Å; M235-Q366 HydrophobicContact CE-CB 3.36Å; M235-Q366 HydrophobicContact CE-CG 3.44Å; M235-Q366 VanDerWaalsContact CE-CG 3.44Å; M235-F367 VanDerWaalsContact CE-CA 3.47Å; M235-F367 HydrophobicContact CE-CB 3.87Å; M235-F367 HydrophobicContact SD-CD2 4.43Å; M235-E370 HydrophobicContact CB-CG 4.3Å; M235-E370 HydrophobicContact CE-CG 4.35Å; M235-E370 HydrophobicContact CG-CG 3.81Å
236H95.8Very high94.4Very high83 Ų8372.1 Ų72.138%0.38438%0.382SS..SBendtrans-99154.9179.1-59.8-65.4000111.3V238 D274 Y276H236-V238 PolarHBondContact O-N 3.26Å; H236-D274 VanDerWaalsContact CA-OD2 3.27Å; H236-D274 WeakPolarHBondContact CA-OD2 3.41Å; H236-D274 IonicContact ND1-OD2 3.21Å; H236-Y276 AromaticContact CE1-CD1 3.47Å; H236-Y276 VanDerWaalsContact CE1-CD1 3.47Å; H236-Y276 WeakPolarHBondContact CE1-CD1 3.26Å; H236-Y276 AromaticContact CE1-CE1 3.79Å; H236-Y276 AromaticContact CE1-CG 3.6Å; H236-Y276 AromaticContact ND1-CD1 3.86Å; H236-Y276 AromaticContact ND1-CG 3.9Å
237H96.3Very high94.1Very high144 Ų14468.6 Ų68.667%0.66737%0.373SS*.SBendtrans62.719.3175.3-48.1-56.2000115.2Y239 D274H237-Y239 HydrophobicContact CB-CE2 4.15Å; H237-Y239 WeakPolarHBondContact O-CD2 3.21Å; H237-Y239 WeakPolarHBondContact O-CE2 3.22Å; H237-D274 PolarHBondContact N-OD2 2.92Å
238V97Very high93.8Very high13 Ų1369.1 Ų69.18%0.07937%0.373CS..  trans-102.9109.5170-172.70000108.6F224 S231 A234 H236 D274 I275F224-V238 HydrophobicContact CE1-CG1 4.4Å; F224-V238 HydrophobicContact CE2-CG1 4.46Å; F224-V238 HydrophobicContact CZ-CG1 3.78Å; S231-V238 WeakPolarHBondContact OG-CG2 3.49Å; A234-V238 HydrophobicContact CB-CG2 3.82Å; A234-V238 WeakPolarHBondContact O-CG2 3.29Å; H236-V238 PolarHBondContact O-N 3.26Å; V238-D274 CarbonylContact O-C 3.53Å; V238-D274 WeakPolarHBondContact O-CA 3.4Å; V238-D274 WeakPolarHBondContact O-CB 3.46Å; V238-I275 HydrophobicContact CB-CG2 4.1Å; V238-I275 PolarHBondContact O-N 3.46Å
239Y97Very high93.4Very high123 Ų12369.2 Ų69.248%0.48237%0.374SS..BIsolated β-bridgetrans-107143.5-172.2-58-89.4000111.6F224 H237 S272 D274F224-Y239 WeakPolarHBondContact CE2-O 3.35Å; H237-Y239 HydrophobicContact CB-CE2 4.15Å; H237-Y239 WeakPolarHBondContact O-CD2 3.21Å; H237-Y239 WeakPolarHBondContact O-CE2 3.22Å; Y239-S272 WeakPolarHBondContact CE1-O 3.45Å; Y239-D274 HydrophobicContact CD1-CB 4.03Å; Y239-D274 HydrophobicContact CE1-CB 3.8Å
240F96.4Very high93.2Very high18 Ų1868.5 Ų68.58%0.07938%0.38CS..  trans-83.3134.9169.9-176.9-104.7000110.6L186 P220 F224 W242 V247L186-F240 HydrophobicContact CD1-CE1 4.15Å; L186-F240 HydrophobicContact CD1-CE2 4.43Å; L186-F240 HydrophobicContact CD1-CZ 3.61Å; L186-F240 HydrophobicContact CD2-CE1 4.24Å; L186-F240 HydrophobicContact CD2-CZ 4.49Å; P220-F240 HydrophobicContact CB-CD2 3.62Å; P220-F240 HydrophobicContact CB-CE2 3.97Å; P220-F240 HydrophobicContact CB-CG 4.2Å; P220-F240 HydrophobicContact CG-CB 3.73Å; P220-F240 HydrophobicContact CG-CD1 4.4Å; P220-F240 HydrophobicContact CG-CD2 3.61Å; P220-F240 HydrophobicContact CG-CE2 4.32Å; P220-F240 HydrophobicContact CG-CG 3.66Å; F224-F240 HydrophobicContact CB-CD2 4.47Å; F224-F240 HydrophobicContact CD2-CB 4.43Å; F224-F240 AromaticContact CD2-CD2 3.59Å; F224-F240 HydrophobicContact CD2-CD2 3.59Å; F224-F240 HydrophobicContact CD2-CE2 4.41Å; F224-F240 HydrophobicContact CD2-CG 4.5Å; F224-F240 HydrophobicContact CE2-CB 4.01Å; F224-F240 HydrophobicContact CE2-CD2 4.02Å; F224-F240 HydrophobicContact CG-CD2 4.15Å; F224-F240 HydrophobicContact CZ-CB 4.41Å; F240-W242 HydrophobicContact CB-CZ2 4.47Å; F240-W242 AromaticContact CD1-CD2 3.7Å; F240-W242 HydrophobicContact CD1-CD2 3.7Å; F240-W242 AromaticContact CD1-CE2 3.83Å; F240-W242 AromaticContact CD1-CE3 3.8Å; F240-W242 HydrophobicContact CD1-CE3 3.8Å; F240-W242 HydrophobicContact CD1-CG 4.19Å; F240-W242 HydrophobicContact CD1-CH2 4.2Å; F240-W242 HydrophobicContact CD1-CZ2 4.1Å; F240-W242 HydrophobicContact CD1-CZ3 4.04Å; F240-W242 HydrophobicContact CE1-CD2 4.32Å; F240-W242 HydrophobicContact CE1-CE3 4.01Å; F240-W242 HydrophobicContact CE1-CZ3 4.23Å; F240-W242 PolarHBondContact O-N 3.49Å; F240-W242 VanDerWaalsContact O-N 3.11Å; F240-W242 PolarHBondContact O-NE1 2.96Å; F240-V247 HydrophobicContact CE1-CG2 3.93Å; F240-V247 HydrophobicContact CZ-CG2 4.15Å
241D95Very high93Very high92 Ų9264.1 Ų64.149%0.49236%0.357SS..  trans-77.297.6174.2179.813.9000110.9N243 R244D241-N243 PolarHBondContact O-N 2.7Å; D241-N243 WeakPolarHBondContact OD1-CB 3.42Å; D241-N243 PolarHBondContact OD1-N 2.63Å; D241-R244 WeakPolarHBondContact O-CB 3.27Å; D241-R244 PolarHBondContact O-N 2.93Å
242W95Very high92.8Very high17 Ų1764.8 Ų64.86%0.06436%0.357CS..THydrogen-bonded Turntrans-71.4-9.6177.8-61.898.2000114.4L186 P218 F240 V247 Y270 K271 I278L186-W242 HydrophobicContact CD2-CZ3 4.04Å; P218-W242 HydrophobicContact CB-CH2 4.49Å; P218-W242 HydrophobicContact CB-CZ3 4.02Å; P218-W242 HydrophobicContact CG-CZ3 4.15Å; P218-W242 WeakPolarHBondContact O-CH2 3.45Å; F240-W242 HydrophobicContact CB-CZ2 4.47Å; F240-W242 AromaticContact CD1-CD2 3.7Å; F240-W242 HydrophobicContact CD1-CD2 3.7Å; F240-W242 AromaticContact CD1-CE2 3.83Å; F240-W242 AromaticContact CD1-CE3 3.8Å; F240-W242 HydrophobicContact CD1-CE3 3.8Å; F240-W242 HydrophobicContact CD1-CG 4.19Å; F240-W242 HydrophobicContact CD1-CH2 4.2Å; F240-W242 HydrophobicContact CD1-CZ2 4.1Å; F240-W242 HydrophobicContact CD1-CZ3 4.04Å; F240-W242 HydrophobicContact CE1-CD2 4.32Å; F240-W242 HydrophobicContact CE1-CE3 4.01Å; F240-W242 HydrophobicContact CE1-CZ3 4.23Å; F240-W242 PolarHBondContact O-N 3.49Å; F240-W242 VanDerWaalsContact O-N 3.11Å; F240-W242 PolarHBondContact O-NE1 2.96Å; W242-V247 HydrophobicContact CE3-CG1 4.16Å; W242-Y270 HydrophobicContact CD2-CE2 4.12Å; W242-Y270 AromaticContact CE3-CE2 3.88Å; W242-Y270 HydrophobicContact CE3-CE2 3.88Å; W242-Y270 HydrophobicContact CH2-CD2 4.04Å; W242-Y270 AromaticContact CH2-CE2 3.89Å; W242-Y270 HydrophobicContact CH2-CE2 3.89Å; W242-Y270 HydrophobicContact CZ2-CD2 4.01Å; W242-Y270 HydrophobicContact CZ2-CE2 4.14Å; W242-Y270 HydrophobicContact CZ3-CD2 4.39Å; W242-Y270 AromaticContact CZ3-CE2 3.77Å; W242-Y270 HydrophobicContact CZ3-CE2 3.77Å; W242-K271 HydrophobicContact CB-CB 4.43Å; W242-K271 HydrophobicContact CB-CD 4.03Å; W242-K271 HydrophobicContact CB-CG 4.11Å; W242-K271 VanDerWaalsContact CD1-CA 3.47Å; W242-K271 HydrophobicContact CD2-CG 4.17Å; W242-K271 HydrophobicContact CG-CB 3.98Å; W242-K271 HydrophobicContact CG-CD 4.3Å; W242-K271 HydrophobicContact CG-CG 3.81Å; W242-K271 PolarHBondContact NE1-O 3.23Å; W242-I278 HydrophobicContact CH2-CD1 3.8Å; W242-I278 HydrophobicContact CZ2-CD1 3.6Å
243N92.6Very high92.6Very high145 Ų14564.9 Ų64.978%0.77535%0.347SS*.THydrogen-bonded Turntrans-930.5177.3-59.5-48.2000112.4D241D241-N243 PolarHBondContact O-N 2.7Å; D241-N243 WeakPolarHBondContact OD1-CB 3.42Å; D241-N243 PolarHBondContact OD1-N 2.63Å
244R87.6Confident92.3Very high121 Ų12166.8 Ų66.846%0.45737%0.371SS..SBendtrans-62144178.1-171.1177.6-175.7-169.61.6111.7E223 D241 G246 V247E223-R244 IonicContact OE1-NH1 3.71Å; D241-R244 WeakPolarHBondContact O-CB 3.27Å; D241-R244 PolarHBondContact O-N 2.93Å; R244-G246 PolarHBondContact O-N 3.19Å; R244-V247 HydrophobicContact CB-CG2 4.33Å; R244-V247 PolarHBondContact O-N 3.3Å
245S84.2Confident91.8Very high114 Ų11469.2 Ų69.280%0.79738%0.378SS*.THydrogen-bonded Turntrans-57.3136.9172.757.10000111.9
246G80.4Confident91.8Very high49 Ų4969.4 Ų69.451%0.50538%0.379SS..THydrogen-bonded Turntrans89.5-2.8-178.200000115.3R244R244-G246 PolarHBondContact O-N 3.19Å
247V89.5Confident91.7Very high35 Ų3567 Ų6721%0.21237%0.371CS..  trans-86107.8167.1-176.90000108.6L186 F240 W242 R244L186-V247 HydrophobicContact CD1-CG2 4.38Å; F240-V247 HydrophobicContact CE1-CG2 3.93Å; F240-V247 HydrophobicContact CZ-CG2 4.15Å; W242-V247 HydrophobicContact CE3-CG1 4.16Å; R244-V247 HydrophobicContact CB-CG2 4.33Å; R244-V247 PolarHBondContact O-N 3.3Å
248E90.6Very high91.4Very high98 Ų9868.9 Ų68.946%0.45838%0.377SS..  trans-116.2-31.6-175.5-58.5174.916500112.4L186 Y188L186-E248 PolarHBondContact O-N 3.01Å; Y188-E248 HydrophobicContact CD2-CB 3.65Å; Y188-E248 WeakPolarHBondContact CD2-OE2 3.28Å; Y188-E248 HydrophobicContact CE2-CB 3.77Å; Y188-E248 WeakPolarHBondContact CE2-O 3.42Å; Y188-E248 PolarHBondContact N-OE2 2.98Å
249V90.1Very high91.3Very high3 Ų368.5 Ų68.52%0.01838%0.375CS..  trans-85131.8-175.7177.70000109.8L186 Y188 K202 P216 P218L186-V249 WeakPolarHBondContact O-CB 3.34Å; L186-V249 WeakPolarHBondContact O-CG2 3.46Å; L186-V249 PolarHBondContact O-N 3.16Å; Y188-V249 HydrophobicContact CD1-CG2 3.94Å; Y188-V249 HydrophobicContact CD2-CG2 4.43Å; Y188-V249 HydrophobicContact CE1-CG2 3.93Å; Y188-V249 HydrophobicContact CE2-CG2 4.4Å; Y188-V249 HydrophobicContact CG-CG2 4.2Å; K202-V249 HydrophobicContact CD-CG1 4.39Å; K202-V249 HydrophobicContact CD-CG2 4.44Å; P216-V249 HydrophobicContact CB-CG1 3.65Å; P218-V249 HydrophobicContact CB-CB 4.46Å; P218-V249 HydrophobicContact CB-CG1 4.31Å; P218-V249 HydrophobicContact CG-CG1 4.34Å
250S91.7Very high91.2Very high58 Ų5867 Ų6741%0.40638%0.375SS..  trans-112.1152.7169.857.20000112N252 Y270S250-N252 PolarHBondContact O-N 2.91Å; S250-Y270 WeakPolarHBondContact CA-OH 3.26Å; S250-Y270 WeakPolarHBondContact CB-OH 3.25Å
251V93.1Very high91.2Very high8 Ų866.5 Ų66.55%0.04837%0.373CS..  trans-66.9125165.4176.80000107.6P218 P253 I256 W267 Y270P218-V251 HydrophobicContact CG-CG2 3.9Å; V251-P253 WeakPolarHBondContact O-CD 3.34Å; V251-I256 HydrophobicContact CG1-CD1 3.45Å; V251-I256 VanDerWaalsContact CG1-CD1 3.45Å; V251-W267 HydrophobicContact CG1-CB 4.26Å; V251-W267 HydrophobicContact CG1-CE3 4.07Å; V251-Y270 HydrophobicContact CB-CD1 3.66Å; V251-Y270 HydrophobicContact CB-CD2 4.29Å; V251-Y270 HydrophobicContact CB-CE1 3.77Å; V251-Y270 HydrophobicContact CB-CE2 4.4Å; V251-Y270 HydrophobicContact CB-CG 3.91Å; V251-Y270 HydrophobicContact CG2-CD1 3.93Å; V251-Y270 HydrophobicContact CG2-CD2 3.63Å; V251-Y270 HydrophobicContact CG2-CE1 4.14Å; V251-Y270 HydrophobicContact CG2-CE2 3.87Å; V251-Y270 HydrophobicContact CG2-CG 3.64Å
252N91.4Very high91.2Very high65 Ų6562.1 Ų62.135%0.34835%0.35SS..  trans-105.6105.7173.3-176.9-14.8000109.1S250 S254 L255S250-N252 PolarHBondContact O-N 2.91Å; N252-S254 PolarHBondContact O-N 3.35Å; N252-S254 VanDerWaalsContact O-N 3.09Å; N252-S254 WeakPolarHBondContact OD1-CB 3.42Å; N252-S254 PolarHBondContact OD1-N 2.9Å; N252-S254 VanDerWaalsContact OD1-N 3.07Å; N252-L255 HydrophobicContact CB-CB 4.41Å; N252-L255 HydrophobicContact CB-CD1 4Å; N252-L255 HydrophobicContact CB-CG 4.12Å; N252-L255 PolarHBondContact O-N 3.34Å
253P92.7Very high91.1Very high60 Ų6064.9 Ų64.939%0.3937%0.372SS..G310 helixtrans-55.1-29.7-178.2-2735.2000114.2V251 L255 I256 W267V251-P253 WeakPolarHBondContact O-CD 3.34Å; P253-L255 VanDerWaalsContact C-N 3.26Å; P253-L255 PolarHBondContact O-N 3.5Å; P253-I256 PolarHBondContact O-N 3.1Å; P253-W267 HydrophobicContact CB-CB 4.04Å; P253-W267 HydrophobicContact CG-CB 3.88Å
254S90.5Very high91.2Very high112 Ų11262.1 Ų62.178%0.78336%0.364SS*.G310 helixtrans-71.1-19.8-179.9-53.60000113.6N252N252-S254 PolarHBondContact O-N 3.35Å; N252-S254 VanDerWaalsContact O-N 3.09Å; N252-S254 WeakPolarHBondContact OD1-CB 3.42Å; N252-S254 PolarHBondContact OD1-N 2.9Å; N252-S254 VanDerWaalsContact OD1-N 3.07Å
255L87.1Confident91.6Very high87 Ų8757.1 Ų57.146%0.45535%0.346SS..G310 helixtrans-92.7-7.5177.8-64.8179.8000112.9P216 N252 P253 P257P216-L255 HydrophobicContact CG-CD1 4.43Å; N252-L255 HydrophobicContact CB-CB 4.41Å; N252-L255 HydrophobicContact CB-CD1 4Å; N252-L255 HydrophobicContact CB-CG 4.12Å; N252-L255 PolarHBondContact O-N 3.34Å; P253-L255 VanDerWaalsContact C-N 3.26Å; P253-L255 PolarHBondContact O-N 3.5Å; L255-P257 WeakPolarHBondContact O-CD 3.45Å
256I93.4Very high92.2Very high12 Ų1257.7 Ų57.76%0.06234%0.337CS..SBendtrans-91116.7-174.7-61.8170.3000109.1I215 V251 P253 K258 W267 L285I215-I256 HydrophobicContact CG2-CG1 4.28Å; V251-I256 HydrophobicContact CG1-CD1 3.45Å; V251-I256 VanDerWaalsContact CG1-CD1 3.45Å; P253-I256 PolarHBondContact O-N 3.1Å; I256-K258 PolarHBondContact O-N 3.4Å; I256-W267 HydrophobicContact CD1-CB 4Å; I256-W267 HydrophobicContact CD1-CD2 3.29Å; I256-W267 HydrophobicContact CD1-CE3 3.52Å; I256-W267 HydrophobicContact CD1-CG 3.51Å; I256-W267 HydrophobicContact CD1-CZ2 4.36Å; I256-W267 HydrophobicContact CD1-CZ3 4.14Å; I256-W267 HydrophobicContact CG2-CD2 4.35Å; I256-W267 HydrophobicContact CG2-CH2 4.49Å; I256-W267 HydrophobicContact CG2-CZ2 3.76Å; I256-L285 HydrophobicContact CG2-CD1 3.67Å; I256-L285 HydrophobicContact CG2-CD2 3.82Å; I256-L285 HydrophobicContact CG2-CG 4.39Å
257P93.5Very high92.9Very high34 Ų3456.5 Ų56.522%0.22132%0.317CS..PPolyproline II helixtrans-63.4135.3173.8-17.431.3000110.2Y180 V213 I215 L255 L285 L289Y180-P257 HydrophobicContact CD1-CG 4.33Å; Y180-P257 HydrophobicContact CE1-CG 3.93Å; V213-P257 HydrophobicContact CG1-CG 4.21Å; I215-P257 HydrophobicContact CD1-CG 4.21Å; L255-P257 WeakPolarHBondContact O-CD 3.45Å; P257-L285 WeakPolarHBondContact O-CD1 3.28Å; P257-L289 HydrophobicContact CB-CD2 3.72Å; P257-L289 HydrophobicContact CG-CD2 3.79Å
258K91.8Very high93.2Very high182 Ų18259.3 Ų59.379%0.79134%0.338SS*.PPolyproline II helixtrans-78.5134.8174.9-65.8-174.1-179.7-176.70109.3I256I256-K258 PolarHBondContact O-N 3.4Å
259T94.8Very high93.5Very high6 Ų658.2 Ų58.24%0.03734%0.335CS..  trans-131.5161.8172.570.30000107.8L261 S262 S263 L289 E292T259-L261 PolarHBondContact O-N 3.14Å; T259-S262 PolarHBondContact N-OG 2.73Å; T259-S262 VanDerWaalsContact N-OG 3.08Å; T259-S262 CarbonylContact O-C 3.53Å; T259-S262 PolarHBondContact O-N 2.93Å; T259-S262 WeakPolarHBondContact OG1-CB 3.25Å; T259-S262 PolarHBondContact OG1-N 3.19Å; T259-S262 VanDerWaalsContact OG1-N 3.12Å; T259-S262 PolarHBondContact OG1-OG 3.49Å; T259-S263 WeakPolarHBondContact O-CA 3.43Å; T259-S263 VanDerWaalsContact O-CB 3.28Å; T259-S263 WeakPolarHBondContact O-CB 3.47Å; T259-S263 PolarHBondContact O-N 3.12Å; T259-L289 HydrophobicContact CG2-CD2 4.13Å; T259-L289 HydrophobicContact CG2-CG 4.48Å; T259-E292 WeakPolarHBondContact CA-OE2 3.47Å
260L94.6Very high93.8Very high92 Ų9258.6 Ų58.648%0.48234%0.336SS..THydrogen-bonded Turntrans-56.8-37176.9-176.360000111.9S263 E292 V382 Y383L260-S263 PolarHBondContact O-OG 3.23Å; L260-E292 WeakPolarHBondContact CB-OE1 3.41Å; L260-E292 PolarHBondContact N-OE1 3.27Å; L260-V382 HydrophobicContact CB-CG1 4.38Å; L260-V382 HydrophobicContact CD2-CG1 3.75Å; L260-V382 VanDerWaalsContact CD2-O 3.23Å; L260-V382 WeakPolarHBondContact CD2-O 3.47Å; L260-V382 HydrophobicContact CG-CG1 3.74Å; L260-Y383 HydrophobicContact CB-CE1 3.8Å; L260-Y383 HydrophobicContact CD2-CD1 3.96Å; L260-Y383 HydrophobicContact CD2-CE1 3.92Å; L260-Y383 HydrophobicContact CG-CE1 4.46Å
261L94.9Very high94Very high6 Ų660.9 Ų60.93%0.03134%0.339CS..THydrogen-bonded Turntrans-69-36.3175.5-81.4168000113.3T259 K284 L287 E376 L379 V382 Y383T259-L261 PolarHBondContact O-N 3.14Å; L261-K284 HydrophobicContact CB-CB 4.23Å; L261-K284 VanDerWaalsContact CB-O 3.27Å; L261-K284 WeakPolarHBondContact CB-O 3.17Å; L261-K284 WeakPolarHBondContact O-CD 3.22Å; L261-L287 HydrophobicContact CD1-CB 3.54Å; L261-E376 WeakPolarHBondContact CD2-O 3.14Å; L261-L379 HydrophobicContact CD1-CD2 3.61Å; L261-V382 HydrophobicContact CD2-CB 3.99Å; L261-V382 HydrophobicContact CD2-CG1 3.87Å; L261-V382 HydrophobicContact CD2-CG2 3.73Å; L261-V382 HydrophobicContact CG-CB 4.44Å; L261-V382 HydrophobicContact CG-CG1 3.95Å; L261-Y383 HydrophobicContact CD1-CE2 3.79Å; L261-Y383 HydrophobicContact CG-CE2 3.95Å
262S95Very high94.2Very high1 Ų163.9 Ų63.91%0.00736%0.36CS..THydrogen-bonded Turntrans-101.4-1-173.766.50000114.4T259 S264 V265T259-S262 PolarHBondContact N-OG 2.73Å; T259-S262 VanDerWaalsContact N-OG 3.08Å; T259-S262 CarbonylContact O-C 3.53Å; T259-S262 PolarHBondContact O-N 2.93Å; T259-S262 WeakPolarHBondContact OG1-CB 3.25Å; T259-S262 PolarHBondContact OG1-N 3.19Å; T259-S262 VanDerWaalsContact OG1-N 3.12Å; T259-S262 PolarHBondContact OG1-OG 3.49Å; S262-S264 VanDerWaalsContact C-N 3.28Å; S262-S264 PolarHBondContact O-N 3.04Å; S262-V265 WeakPolarHBondContact O-CB 3.43Å; S262-V265 PolarHBondContact O-N 2.85Å; S262-V265 VanDerWaalsContact O-N 3.12Å
263S93.8Very high94.5Very high75 Ų7562 Ų6252%0.52435%0.348SS..THydrogen-bonded Turntrans-67.2-27.5-171.658.20000113.7T259 L260T259-S263 WeakPolarHBondContact O-CA 3.43Å; T259-S263 VanDerWaalsContact O-CB 3.28Å; T259-S263 WeakPolarHBondContact O-CB 3.47Å; T259-S263 PolarHBondContact O-N 3.12Å; L260-S263 PolarHBondContact O-OG 3.23Å
264S93.7Very high94.7Very high87 Ų8759.6 Ų59.661%0.60833%0.332SS*.THydrogen-bonded Turntrans-88.8-3.6177.457.90000113.7S262 E266S262-S264 VanDerWaalsContact C-N 3.28Å; S262-S264 PolarHBondContact O-N 3.04Å; S264-E266 PolarHBondContact O-N 3Å
265V96.5Very high95Very high15 Ų1554.4 Ų54.49%0.09130%0.296CS..  trans-78.8118.2-176.5179.40000110.3S262 W267 W273 N281 K284S262-V265 WeakPolarHBondContact O-CB 3.43Å; S262-V265 PolarHBondContact O-N 2.85Å; S262-V265 VanDerWaalsContact O-N 3.12Å; V265-W267 HydrophobicContact CB-CD2 4.38Å; V265-W267 HydrophobicContact CB-CZ2 4.05Å; V265-W267 HydrophobicContact CG1-CD2 3.66Å; V265-W267 HydrophobicContact CG1-CE3 3.94Å; V265-W267 HydrophobicContact CG1-CG 4.2Å; V265-W267 HydrophobicContact CG1-CH2 4.09Å; V265-W267 HydrophobicContact CG1-CZ2 3.82Å; V265-W267 HydrophobicContact CG1-CZ3 4.15Å; V265-W267 HydrophobicContact CG2-CZ2 4.5Å; V265-W267 PolarHBondContact O-N 3.26Å; V265-W273 HydrophobicContact CG1-CH2 3.44Å; V265-W273 VanDerWaalsContact CG1-CH2 3.44Å; V265-W273 HydrophobicContact CG1-CZ2 3.81Å; V265-W273 HydrophobicContact CG1-CZ3 4.45Å; V265-N281 HydrophobicContact CG1-CB 3.92Å; V265-N281 HydrophobicContact CG2-CB 4.33Å; V265-K284 HydrophobicContact CG2-CD 4.01Å
266E96.3Very high95.5Very high127 Ų12752 Ų5259%0.59328%0.281SS*.  trans-81.378.7174.5-65.3-171.3-179.100111.5S264 S268 L269 W273S264-E266 PolarHBondContact O-N 3Å; E266-S268 PolarHBondContact O-N 3.24Å; E266-L269 HydrophobicContact CB-CD1 4.08Å; E266-L269 HydrophobicContact CB-CG 4.15Å; E266-L269 WeakPolarHBondContact O-CB 3.33Å; E266-L269 PolarHBondContact O-N 2.77Å; E266-L269 WeakPolarHBondContact OE2-CD1 3.41Å; E266-W273 VanDerWaalsContact O-CZ2 3.28Å; E266-W273 WeakPolarHBondContact O-CZ2 3.35Å
267W96.5Very high95.7Very high23 Ų2353.7 Ų53.79%0.08729%0.292CS..G310 helixtrans-55-25.4-173.8-64.1105.1000115.7V251 P253 I256 V265 L269 Y270 W273 Y282 L285V251-W267 HydrophobicContact CG1-CB 4.26Å; V251-W267 HydrophobicContact CG1-CE3 4.07Å; P253-W267 HydrophobicContact CB-CB 4.04Å; P253-W267 HydrophobicContact CG-CB 3.88Å; I256-W267 HydrophobicContact CD1-CB 4Å; I256-W267 HydrophobicContact CD1-CD2 3.29Å; I256-W267 HydrophobicContact CD1-CE3 3.52Å; I256-W267 HydrophobicContact CD1-CG 3.51Å; I256-W267 HydrophobicContact CD1-CZ2 4.36Å; I256-W267 HydrophobicContact CD1-CZ3 4.14Å; I256-W267 HydrophobicContact CG2-CD2 4.35Å; I256-W267 HydrophobicContact CG2-CH2 4.49Å; I256-W267 HydrophobicContact CG2-CZ2 3.76Å; V265-W267 HydrophobicContact CB-CD2 4.38Å; V265-W267 HydrophobicContact CB-CZ2 4.05Å; V265-W267 HydrophobicContact CG1-CD2 3.66Å; V265-W267 HydrophobicContact CG1-CE3 3.94Å; V265-W267 HydrophobicContact CG1-CG 4.2Å; V265-W267 HydrophobicContact CG1-CH2 4.09Å; V265-W267 HydrophobicContact CG1-CZ2 3.82Å; V265-W267 HydrophobicContact CG1-CZ3 4.15Å; V265-W267 HydrophobicContact CG2-CZ2 4.5Å; V265-W267 PolarHBondContact O-N 3.26Å; W267-L269 PolarHBondContact O-N 3.22Å; W267-Y270 WeakPolarHBondContact O-CD1 3.41Å; W267-Y270 PolarHBondContact O-N 3.37Å; W267-W273 HydrophobicContact CD2-CH2 4.5Å; W267-W273 AromaticContact CE3-CH2 3.85Å; W267-W273 HydrophobicContact CE3-CH2 3.85Å; W267-W273 HydrophobicContact CE3-CZ3 4.24Å; W267-W273 HydrophobicContact CZ3-CH2 4.25Å; W267-W273 HydrophobicContact CZ3-CZ3 4.31Å; W267-Y282 HydrophobicContact CH2-CD1 4.43Å; W267-Y282 AromaticContact CZ3-CD1 3.9Å; W267-Y282 HydrophobicContact CZ3-CD1 3.9Å; W267-Y282 AromaticContact CZ3-CE1 3.95Å; W267-Y282 HydrophobicContact CZ3-CE1 3.95Å; W267-L285 HydrophobicContact CH2-CB 3.79Å; W267-L285 HydrophobicContact CH2-CD2 3.82Å; W267-L285 HydrophobicContact CH2-CG 4.35Å; W267-L285 HydrophobicContact CZ2-CB 4.01Å; W267-L285 HydrophobicContact CZ2-CD1 4.45Å; W267-L285 HydrophobicContact CZ2-CD2 4.13Å; W267-L285 HydrophobicContact CZ2-CG 4.43Å
268S95.1Very high95.9Very high94 Ų9452.2 Ų52.266%0.65728%0.282SS*.G310 helixtrans-64.8-23.8174.347.50000113.4E266 Y270E266-S268 PolarHBondContact O-N 3.24Å; S268-Y270 VanDerWaalsContact C-N 3.32Å
269L96.3Very high96.2Very high76 Ų7643.6 Ų43.640%0.39824%0.244SC..G310 helixtrans-88.77-179.8-60.1-172.8000113.3E266 W267 K271 S272 W273E266-L269 HydrophobicContact CB-CD1 4.08Å; E266-L269 HydrophobicContact CB-CG 4.15Å; E266-L269 WeakPolarHBondContact O-CB 3.33Å; E266-L269 PolarHBondContact O-N 2.77Å; E266-L269 WeakPolarHBondContact OE2-CD1 3.41Å; W267-L269 PolarHBondContact O-N 3.22Å; L269-K271 PolarHBondContact O-N 3.48Å; L269-S272 PolarHBondContact O-N 3.44Å; L269-S272 PolarHBondContact O-OG 3.21Å; L269-W273 PolarHBondContact O-NE1 2.92Å
270Y96.6Very high96.3Very high11 Ų1143.5 Ų43.54%0.04324%0.244CC..G310 helixtrans-56.4-29.8-17384.4-82.2000114.3P218 W242 S250 V251 W267 S268 S272 W273P218-Y270 HydrophobicContact CG-CE2 4.19Å; W242-Y270 HydrophobicContact CD2-CE2 4.12Å; W242-Y270 AromaticContact CE3-CE2 3.88Å; W242-Y270 HydrophobicContact CE3-CE2 3.88Å; W242-Y270 HydrophobicContact CH2-CD2 4.04Å; W242-Y270 AromaticContact CH2-CE2 3.89Å; W242-Y270 HydrophobicContact CH2-CE2 3.89Å; W242-Y270 HydrophobicContact CZ2-CD2 4.01Å; W242-Y270 HydrophobicContact CZ2-CE2 4.14Å; W242-Y270 HydrophobicContact CZ3-CD2 4.39Å; W242-Y270 AromaticContact CZ3-CE2 3.77Å; W242-Y270 HydrophobicContact CZ3-CE2 3.77Å; S250-Y270 WeakPolarHBondContact CA-OH 3.26Å; S250-Y270 WeakPolarHBondContact CB-OH 3.25Å; V251-Y270 HydrophobicContact CB-CD1 3.66Å; V251-Y270 HydrophobicContact CB-CD2 4.29Å; V251-Y270 HydrophobicContact CB-CE1 3.77Å; V251-Y270 HydrophobicContact CB-CE2 4.4Å; V251-Y270 HydrophobicContact CB-CG 3.91Å; V251-Y270 HydrophobicContact CG2-CD1 3.93Å; V251-Y270 HydrophobicContact CG2-CD2 3.63Å; V251-Y270 HydrophobicContact CG2-CE1 4.14Å; V251-Y270 HydrophobicContact CG2-CE2 3.87Å; V251-Y270 HydrophobicContact CG2-CG 3.64Å; W267-Y270 WeakPolarHBondContact O-CD1 3.41Å; W267-Y270 PolarHBondContact O-N 3.37Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; Y270-S272 VanDerWaalsContact C-N 3.27Å; Y270-S272 PolarHBondContact O-N 3.38Å; Y270-W273 VanDerWaalsContact CA-CD2 3.47Å; Y270-W273 VanDerWaalsContact CA-CE3 3.5Å; Y270-W273 PolarHBondContact O-N 2.9Å
271K96.4Very high96.5Very high105 Ų10539.8 Ų39.846%0.45722%0.224SC..G310 helixtrans-71.1-19178.3-64.9-170.9177.5-173.80114.1W242 L269W242-K271 HydrophobicContact CB-CB 4.43Å; W242-K271 HydrophobicContact CB-CD 4.03Å; W242-K271 HydrophobicContact CB-CG 4.11Å; W242-K271 VanDerWaalsContact CD1-CA 3.47Å; W242-K271 HydrophobicContact CD2-CG 4.17Å; W242-K271 HydrophobicContact CG-CB 3.98Å; W242-K271 HydrophobicContact CG-CD 4.3Å; W242-K271 HydrophobicContact CG-CG 3.81Å; W242-K271 PolarHBondContact NE1-O 3.23Å; L269-K271 PolarHBondContact O-N 3.48Å
272S97.1Very high96.7Very high72 Ų7239.5 Ų39.550%0.50322%0.223SC..G310 helixtrans-98.31.1177.764.90000113.2Y239 L269 Y270Y239-S272 WeakPolarHBondContact CE1-O 3.45Å; L269-S272 PolarHBondContact O-N 3.44Å; L269-S272 PolarHBondContact O-OG 3.21Å; Y270-S272 VanDerWaalsContact C-N 3.27Å; Y270-S272 PolarHBondContact O-N 3.38Å
273W97.8Very high96.8Very high25 Ų2539.4 Ų39.410%0.09522%0.223CC..  trans-78.2139.5177.7-63.2-16.2000110.9V265 E266 W267 L269 Y270 T277 I278 N281V265-W273 HydrophobicContact CG1-CH2 3.44Å; V265-W273 VanDerWaalsContact CG1-CH2 3.44Å; V265-W273 HydrophobicContact CG1-CZ2 3.81Å; V265-W273 HydrophobicContact CG1-CZ3 4.45Å; E266-W273 VanDerWaalsContact O-CZ2 3.28Å; E266-W273 WeakPolarHBondContact O-CZ2 3.35Å; W267-W273 HydrophobicContact CD2-CH2 4.5Å; W267-W273 AromaticContact CE3-CH2 3.85Å; W267-W273 HydrophobicContact CE3-CH2 3.85Å; W267-W273 HydrophobicContact CE3-CZ3 4.24Å; W267-W273 HydrophobicContact CZ3-CH2 4.25Å; W267-W273 HydrophobicContact CZ3-CZ3 4.31Å; L269-W273 PolarHBondContact O-NE1 2.92Å; Y270-W273 VanDerWaalsContact CA-CD2 3.47Å; Y270-W273 VanDerWaalsContact CA-CE3 3.5Å; Y270-W273 PolarHBondContact O-N 2.9Å; W273-T277 HydrophobicContact CB-CG2 3.93Å; W273-T277 HydrophobicContact CD2-CG2 4.09Å; W273-T277 HydrophobicContact CG-CG2 3.64Å; W273-I278 HydrophobicContact CB-CB 4.2Å; W273-I278 HydrophobicContact CE3-CB 4.03Å; W273-I278 HydrophobicContact CE3-CG1 4.1Å; W273-N281 VanDerWaalsContact CE2-ND2 3.29Å; W273-N281 HydrophobicContact CE3-CB 4.23Å; W273-N281 HydrophobicContact CH2-CB 4.01Å; W273-N281 VanDerWaalsContact CH2-ND2 3.31Å; W273-N281 WeakPolarHBondContact CH2-ND2 3.42Å; W273-N281 WeakPolarHBondContact CZ2-ND2 3.41Å; W273-N281 HydrophobicContact CZ3-CB 3.73Å; W273-N281 WeakPolarHBondContact CZ3-ND2 3.39Å
274D97.5Very high97Very high10 Ų1036.5 Ų36.55%0.05320%0.201CC..BIsolated β-bridgetrans-72170.7164.664.59.9000110.6H236 H237 V238 Y239 Y276 T277 I278H236-D274 VanDerWaalsContact CA-OD2 3.27Å; H236-D274 WeakPolarHBondContact CA-OD2 3.41Å; H236-D274 IonicContact ND1-OD2 3.21Å; H237-D274 PolarHBondContact N-OD2 2.92Å; V238-D274 CarbonylContact O-C 3.53Å; V238-D274 WeakPolarHBondContact O-CA 3.4Å; V238-D274 WeakPolarHBondContact O-CB 3.46Å; Y239-D274 HydrophobicContact CD1-CB 4.03Å; Y239-D274 HydrophobicContact CE1-CB 3.8Å; D274-Y276 PolarHBondContact O-N 2.98Å; D274-Y276 PolarHBondContact OD1-N 2.78Å; D274-T277 PolarHBondContact O-N 3.21Å; D274-T277 WeakPolarHBondContact OD1-CB 3.47Å; D274-T277 PolarHBondContact OD1-N 3.39Å; D274-T277 PolarHBondContact OD1-OG1 3.27Å; D274-I278 WeakPolarHBondContact O-CG2 3.32Å; D274-I278 PolarHBondContact O-N 2.9Å
275I97.4Very high97.2Very high3 Ų332.4 Ų32.42%0.01517%0.172CC..Hα-helixtrans-58.2-34.9-178-169.761.8000112.5Y219 P220 F224 V238 I278 T279 F363Y219-I275 HydrophobicContact CE1-CD1 4.34Å; Y219-I275 HydrophobicContact CE2-CD1 4.08Å; Y219-I275 WeakPolarHBondContact OH-CD1 3.37Å; P220-I275 HydrophobicContact CG-CD1 4.02Å; F224-I275 HydrophobicContact CD1-CD1 4.16Å; F224-I275 HydrophobicContact CE1-CB 3.88Å; F224-I275 HydrophobicContact CE1-CD1 3.65Å; F224-I275 HydrophobicContact CE1-CG1 3.74Å; F224-I275 HydrophobicContact CZ-CB 4.26Å; F224-I275 HydrophobicContact CZ-CD1 4.5Å; V238-I275 HydrophobicContact CB-CG2 4.1Å; V238-I275 PolarHBondContact O-N 3.46Å; I275-I278 HydrophobicContact CD1-CG2 4.15Å; I275-I278 VanDerWaalsContact O-CG2 3.28Å; I275-I278 WeakPolarHBondContact O-CG2 3.44Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.27Å; I275-T279 PolarHBondContact O-OG1 2.73Å; I275-F363 HydrophobicContact CG1-CE2 3.77Å; I275-F363 HydrophobicContact CG1-CZ 3.66Å; I275-F363 HydrophobicContact CG2-CE2 4.15Å
276Y97.4Very high97.3Very high36 Ų3631.7 Ų31.714%0.14117%0.167CC..Hα-helixtrans-65.6-52.5175.9178.9-90.5000111.2M235 H236 D274 I278 T279 V280 F367 E370M235-Y276 VanDerWaalsContact O-CB 3.24Å; M235-Y276 WeakPolarHBondContact O-CB 3.47Å; H236-Y276 AromaticContact CE1-CD1 3.47Å; H236-Y276 VanDerWaalsContact CE1-CD1 3.47Å; H236-Y276 WeakPolarHBondContact CE1-CD1 3.26Å; H236-Y276 AromaticContact CE1-CE1 3.79Å; H236-Y276 AromaticContact CE1-CG 3.6Å; H236-Y276 AromaticContact ND1-CD1 3.86Å; H236-Y276 AromaticContact ND1-CG 3.9Å; D274-Y276 PolarHBondContact O-N 2.98Å; D274-Y276 PolarHBondContact OD1-N 2.78Å; Y276-I278 PolarHBondContact O-N 3.46Å; Y276-T279 PolarHBondContact O-N 3.42Å; Y276-T279 VanDerWaalsContact O-N 3.17Å; Y276-V280 HydrophobicContact CD1-CG2 4.05Å; Y276-V280 HydrophobicContact CE1-CG2 3.61Å; Y276-V280 HydrophobicContact CE2-CG2 4.24Å; Y276-V280 WeakPolarHBondContact O-CG2 3.1Å; Y276-V280 PolarHBondContact O-N 2.81Å; Y276-F367 AromaticContact CD2-CD2 3.89Å; Y276-F367 HydrophobicContact CD2-CD2 3.89Å; Y276-F367 AromaticContact CD2-CE2 3.5Å; Y276-F367 HydrophobicContact CD2-CE2 3.5Å; Y276-F367 VanDerWaalsContact CD2-CE2 3.5Å; Y276-F367 HydrophobicContact CD2-CZ 4.46Å; Y276-F367 HydrophobicContact CE2-CD2 4.29Å; Y276-F367 AromaticContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CZ 4.4Å; Y276-F367 HydrophobicContact CG-CE2 4.17Å; Y276-E370 HydrophobicContact CD2-CB 4.45Å; Y276-E370 HydrophobicContact CE2-CB 3.82Å
277T97.4Very high97.3Very high47 Ų4725.6 Ų25.629%0.28814%0.139SC..Hα-helixtrans-63.6-42.4-175.4-56.50000111.9W273 D274 T279 V280 N281W273-T277 HydrophobicContact CB-CG2 3.93Å; W273-T277 HydrophobicContact CD2-CG2 4.09Å; W273-T277 HydrophobicContact CG-CG2 3.64Å; D274-T277 PolarHBondContact O-N 3.21Å; D274-T277 WeakPolarHBondContact OD1-CB 3.47Å; D274-T277 PolarHBondContact OD1-N 3.39Å; D274-T277 PolarHBondContact OD1-OG1 3.27Å; T277-T279 VanDerWaalsContact C-N 3.33Å; T277-T279 PolarHBondContact O-N 3.38Å; T277-V280 PolarHBondContact O-N 3.03Å; T277-N281 WeakPolarHBondContact O-CB 3.22Å; T277-N281 VanDerWaalsContact O-CG 3.28Å; T277-N281 PolarHBondContact O-N 3.31Å; T277-N281 PolarHBondContact O-ND2 2.98Å
278I97.7Very high97.4Very high4 Ų424.5 Ų24.52%0.02114%0.135CC..Hα-helixtrans-63.6-40.3175.8-171.3167.4000111.7Y219 W242 W273 D274 I275 Y276 N281 Y282Y219-I278 HydrophobicContact CD2-CD1 4.47Å; Y219-I278 HydrophobicContact CD2-CG1 4.43Å; Y219-I278 HydrophobicContact CD2-CG2 4.45Å; Y219-I278 HydrophobicContact CE2-CG2 4.02Å; W242-I278 HydrophobicContact CH2-CD1 3.8Å; W242-I278 HydrophobicContact CZ2-CD1 3.6Å; W273-I278 HydrophobicContact CB-CB 4.2Å; W273-I278 HydrophobicContact CE3-CB 4.03Å; W273-I278 HydrophobicContact CE3-CG1 4.1Å; D274-I278 WeakPolarHBondContact O-CG2 3.32Å; D274-I278 PolarHBondContact O-N 2.9Å; I275-I278 HydrophobicContact CD1-CG2 4.15Å; I275-I278 VanDerWaalsContact O-CG2 3.28Å; I275-I278 WeakPolarHBondContact O-CG2 3.44Å; Y276-I278 PolarHBondContact O-N 3.46Å; I278-N281 PolarHBondContact O-N 3.46Å; I278-Y282 HydrophobicContact CD1-CE1 4.4Å; I278-Y282 HydrophobicContact CD1-CE2 4.17Å; I278-Y282 HydrophobicContact CG1-CD1 4.24Å; I278-Y282 HydrophobicContact CG1-CD2 4.35Å; I278-Y282 HydrophobicContact CG1-CE1 3.89Å; I278-Y282 HydrophobicContact CG1-CE2 3.99Å; I278-Y282 HydrophobicContact CG1-CG 4.47Å; I278-Y282 WeakPolarHBondContact O-CB 3.45Å; I278-Y282 PolarHBondContact O-N 2.68Å
279T98Very high97.5Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-65.4-47.3178.3-52.10000110.7Y219 I275 Y276 T277 N281 Y282 M283 F311 L314 F367Y219-T279 WeakPolarHBondContact CE2-OG1 3.43Å; Y219-T279 PolarHBondContact OH-OG1 3.25Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.27Å; I275-T279 PolarHBondContact O-OG1 2.73Å; Y276-T279 PolarHBondContact O-N 3.42Å; Y276-T279 VanDerWaalsContact O-N 3.17Å; T277-T279 VanDerWaalsContact C-N 3.33Å; T277-T279 PolarHBondContact O-N 3.38Å; T279-N281 PolarHBondContact O-N 2.81Å; T279-Y282 PolarHBondContact O-N 2.96Å; T279-M283 HydrophobicContact CG2-CG 4.49Å; T279-M283 WeakPolarHBondContact O-CB 3.41Å; T279-M283 VanDerWaalsContact O-CG 3.26Å; T279-M283 WeakPolarHBondContact O-CG 3.28Å; T279-M283 PolarHBondContact O-N 2.95Å; T279-F311 HydrophobicContact CG2-CE1 4.42Å; T279-L314 HydrophobicContact CG2-CD1 3.78Å; T279-F367 HydrophobicContact CG2-CD1 4.15Å; T279-F367 HydrophobicContact CG2-CD2 4.17Å; T279-F367 HydrophobicContact CG2-CE1 3.66Å; T279-F367 HydrophobicContact CG2-CE2 3.69Å; T279-F367 HydrophobicContact CG2-CG 4.38Å; T279-F367 HydrophobicContact CG2-CZ 3.4Å; T279-F367 VanDerWaalsContact CG2-CZ 3.4Å
280V97.5Very high97.4Very high4 Ų416.5 Ų16.52%0.0249%0.085CC..Hα-helixtrans-57.9-47.8175.9170.60000111.4Y276 T277 Y282 M283 K284 F367 E376 L377Y276-V280 HydrophobicContact CD1-CG2 4.05Å; Y276-V280 HydrophobicContact CE1-CG2 3.61Å; Y276-V280 HydrophobicContact CE2-CG2 4.24Å; Y276-V280 WeakPolarHBondContact O-CG2 3.1Å; Y276-V280 PolarHBondContact O-N 2.81Å; T277-V280 PolarHBondContact O-N 3.03Å; V280-Y282 PolarHBondContact O-N 3.45Å; V280-M283 PolarHBondContact O-N 3.42Å; V280-K284 HydrophobicContact CG1-CD 4.29Å; V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.32Å; V280-F367 HydrophobicContact CG2-CE2 4.22Å; V280-F367 HydrophobicContact CG2-CZ 3.71Å; V280-E376 WeakPolarHBondContact CG1-OE1 3.5Å; V280-L377 HydrophobicContact CG1-CD1 4.38Å; V280-L377 HydrophobicContact CG1-CD2 4.43Å; V280-L377 HydrophobicContact CG1-CG 4.46Å; V280-L377 HydrophobicContact CG2-CD1 4.46Å
281N97.8Very high97.3Very high14 Ų1418.7 Ų18.78%0.0759%0.094CC..Hα-helixtrans-66.1-37.3-178.1-72.8-18.1000112.5V265 W273 T277 I278 T279 K284 L285V265-N281 HydrophobicContact CG1-CB 3.92Å; V265-N281 HydrophobicContact CG2-CB 4.33Å; W273-N281 VanDerWaalsContact CE2-ND2 3.29Å; W273-N281 HydrophobicContact CE3-CB 4.23Å; W273-N281 HydrophobicContact CH2-CB 4.01Å; W273-N281 VanDerWaalsContact CH2-ND2 3.31Å; W273-N281 WeakPolarHBondContact CH2-ND2 3.42Å; W273-N281 WeakPolarHBondContact CZ2-ND2 3.41Å; W273-N281 HydrophobicContact CZ3-CB 3.73Å; W273-N281 WeakPolarHBondContact CZ3-ND2 3.39Å; T277-N281 WeakPolarHBondContact O-CB 3.22Å; T277-N281 VanDerWaalsContact O-CG 3.28Å; T277-N281 PolarHBondContact O-N 3.31Å; T277-N281 PolarHBondContact O-ND2 2.98Å; I278-N281 PolarHBondContact O-N 3.46Å; T279-N281 PolarHBondContact O-N 2.81Å; N281-K284 PolarHBondContact O-N 3.06Å; N281-L285 PolarHBondContact O-N 3.14Å
282Y98.1Very high97.3Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-66.9-41.5172.6-74.39.2000110.7F184 L217 P218 Y219 W267 I278 T279 V280 K284 L285 L286 F311F184-Y282 HydrophobicContact CE1-CD2 4.43Å; L217-Y282 HydrophobicContact CB-CD2 4.05Å; L217-Y282 HydrophobicContact CB-CE1 4.45Å; L217-Y282 HydrophobicContact CB-CE2 3.67Å; L217-Y282 HydrophobicContact CD2-CD1 4.08Å; L217-Y282 HydrophobicContact CD2-CE1 3.85Å; L217-Y282 VanDerWaalsContact O-CE2 3.3Å; L217-Y282 WeakPolarHBondContact O-CE2 3.35Å; P218-Y282 WeakPolarHBondContact O-CE2 3.28Å; P218-Y282 PolarHBondContact O-OH 2.99Å; Y219-Y282 AromaticContact CD2-CD2 3.97Å; Y219-Y282 HydrophobicContact CD2-CD2 3.97Å; Y219-Y282 AromaticContact CD2-CE2 3.94Å; Y219-Y282 HydrophobicContact CD2-CE2 3.94Å; W267-Y282 HydrophobicContact CH2-CD1 4.43Å; W267-Y282 AromaticContact CZ3-CD1 3.9Å; W267-Y282 HydrophobicContact CZ3-CD1 3.9Å; W267-Y282 AromaticContact CZ3-CE1 3.95Å; W267-Y282 HydrophobicContact CZ3-CE1 3.95Å; I278-Y282 HydrophobicContact CD1-CE1 4.4Å; I278-Y282 HydrophobicContact CD1-CE2 4.17Å; I278-Y282 HydrophobicContact CG1-CD1 4.24Å; I278-Y282 HydrophobicContact CG1-CD2 4.35Å; I278-Y282 HydrophobicContact CG1-CE1 3.89Å; I278-Y282 HydrophobicContact CG1-CE2 3.99Å; I278-Y282 HydrophobicContact CG1-CG 4.47Å; I278-Y282 WeakPolarHBondContact O-CB 3.45Å; I278-Y282 PolarHBondContact O-N 2.68Å; T279-Y282 PolarHBondContact O-N 2.96Å; V280-Y282 PolarHBondContact O-N 3.45Å; Y282-K284 PolarHBondContact O-N 2.81Å; Y282-L285 PolarHBondContact O-N 2.79Å; Y282-L286 VanDerWaalsContact O-CG 3.3Å; Y282-L286 WeakPolarHBondContact O-CG 3.3Å; Y282-L286 PolarHBondContact O-N 3.43Å; Y282-F311 HydrophobicContact CD2-CE1 4.34Å; Y282-F311 AromaticContact CD2-CZ 3.86Å; Y282-F311 HydrophobicContact CD2-CZ 3.86Å
283M98.2Very high97.1Very high0 Ų014.9 Ų14.90%07%0.072CC..Hα-helixtrans-62.2-41175.4-71-52-62.400112.9T279 V280 L285 L286 L287 F311 L314 L315 L318 L377T279-M283 HydrophobicContact CG2-CG 4.49Å; T279-M283 WeakPolarHBondContact O-CB 3.41Å; T279-M283 VanDerWaalsContact O-CG 3.26Å; T279-M283 WeakPolarHBondContact O-CG 3.28Å; T279-M283 PolarHBondContact O-N 2.95Å; V280-M283 PolarHBondContact O-N 3.42Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.86Å; M283-L286 PolarHBondContact O-N 3.28Å; M283-L286 HydrophobicContact SD-CD1 4.3Å; M283-L287 VanDerWaalsContact O-CB 3.31Å; M283-L287 WeakPolarHBondContact O-CB 3.21Å; M283-L287 WeakPolarHBondContact O-CG 3.31Å; M283-L287 PolarHBondContact O-N 3.5Å; M283-F311 HydrophobicContact SD-CD1 3.67Å; M283-F311 HydrophobicContact SD-CE1 4.22Å; M283-L314 HydrophobicContact CE-CB 3.61Å; M283-L314 HydrophobicContact CG-CD1 4.22Å; M283-L314 HydrophobicContact SD-CB 3.73Å; M283-L314 HydrophobicContact SD-CD1 4.03Å; M283-L315 HydrophobicContact CE-CB 4.4Å; M283-L315 HydrophobicContact CE-CD2 3.7Å; M283-L315 HydrophobicContact CE-CG 3.81Å; M283-L318 HydrophobicContact CE-CD1 3.46Å; M283-L318 VanDerWaalsContact CE-CD1 3.46Å; M283-L377 HydrophobicContact CB-CD2 3.8Å
284K97.8Very high96.8Very high14 Ų1417.7 Ų17.76%0.06110%0.101CC..Hα-helixtrans-54.6-48172.2-77.7173.2174.2174.10111.5L261 V265 V280 N281 Y282 G288 E376 L377L261-K284 HydrophobicContact CB-CB 4.23Å; L261-K284 VanDerWaalsContact CB-O 3.27Å; L261-K284 WeakPolarHBondContact CB-O 3.17Å; L261-K284 WeakPolarHBondContact O-CD 3.22Å; V265-K284 HydrophobicContact CG2-CD 4.01Å; V280-K284 HydrophobicContact CG1-CD 4.29Å; V280-K284 WeakPolarHBondContact O-CG 3.42Å; V280-K284 PolarHBondContact O-N 3.32Å; N281-K284 PolarHBondContact O-N 3.06Å; Y282-K284 PolarHBondContact O-N 2.81Å; K284-G288 PolarHBondContact O-N 2.93Å; K284-E376 WeakPolarHBondContact CE-OE1 3.48Å; K284-E376 VanDerWaalsContact CE-OE2 3.22Å; K284-E376 WeakPolarHBondContact CE-OE2 3.32Å; K284-E376 IonicContact NZ-OE1 3.26Å; K284-E376 PolarHBondContact NZ-OE1 2.79Å; K284-E376 IonicContact NZ-OE2 3.49Å; K284-E376 PolarHBondContact NZ-OE2 3.21Å; K284-L377 HydrophobicContact CG-CD2 3.72Å
285L98Very high96.7Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-63.3-51.1177177.863.7000111.6I215 L217 I256 P257 W267 N281 Y282 M283 L287 G288 L289I215-L285 HydrophobicContact CG2-CD2 4.22Å; L217-L285 HydrophobicContact CD1-CD2 4.12Å; L217-L285 HydrophobicContact CD2-CD2 3.87Å; I256-L285 HydrophobicContact CG2-CD1 3.67Å; I256-L285 HydrophobicContact CG2-CD2 3.82Å; I256-L285 HydrophobicContact CG2-CG 4.39Å; P257-L285 WeakPolarHBondContact O-CD1 3.28Å; W267-L285 HydrophobicContact CH2-CB 3.79Å; W267-L285 HydrophobicContact CH2-CD2 3.82Å; W267-L285 HydrophobicContact CH2-CG 4.35Å; W267-L285 HydrophobicContact CZ2-CB 4.01Å; W267-L285 HydrophobicContact CZ2-CD1 4.45Å; W267-L285 HydrophobicContact CZ2-CD2 4.13Å; W267-L285 HydrophobicContact CZ2-CG 4.43Å; N281-L285 PolarHBondContact O-N 3.14Å; Y282-L285 PolarHBondContact O-N 2.79Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.86Å; L285-L287 PolarHBondContact O-N 3.4Å; L285-G288 PolarHBondContact O-N 3.34Å; L285-L289 HydrophobicContact CD1-CD1 3.91Å; L285-L289 HydrophobicContact CD1-CD2 4.26Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.91Å; L285-L289 HydrophobicContact CG-CG 4.26Å; L285-L289 WeakPolarHBondContact O-CB 3.46Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 2.86Å
286L98.2Very high96.6Very high0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-61.7-45.4-176.9-64.3177.9000112C182 F184 L217 Y282 M283 L289 L290 L297 L299 F311 L315C182-L286 HydrophobicContact CB-CD2 4.07Å; C182-L286 WeakPolarHBondContact SG-CD2 3.45Å; F184-L286 HydrophobicContact CZ-CD1 4.24Å; L217-L286 HydrophobicContact CD1-CD2 4.32Å; Y282-L286 VanDerWaalsContact O-CG 3.3Å; Y282-L286 WeakPolarHBondContact O-CG 3.3Å; Y282-L286 PolarHBondContact O-N 3.43Å; M283-L286 PolarHBondContact O-N 3.28Å; M283-L286 HydrophobicContact SD-CD1 4.3Å; L286-L289 PolarHBondContact O-N 2.91Å; L286-L290 VanDerWaalsContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.48Å; L286-L297 HydrophobicContact CB-CD1 4.31Å; L286-L297 HydrophobicContact CD2-CD1 4.32Å; L286-L299 HydrophobicContact CD1-CD1 4.43Å; L286-L299 HydrophobicContact CD1-CD2 4.45Å; L286-L299 HydrophobicContact CD2-CD2 3.88Å; L286-F311 HydrophobicContact CD1-CB 4.18Å; L286-F311 HydrophobicContact CD1-CD1 3.75Å; L286-F311 HydrophobicContact CD1-CG 4.17Å; L286-L315 HydrophobicContact CB-CD1 4.39Å; L286-L315 HydrophobicContact CB-CD2 3.95Å; L286-L315 HydrophobicContact CD1-CD1 4.44Å
287L97.4Very high96.6Very high0 Ų015.3 Ų15.30%09%0.091CC..Hα-helixtrans-63.9-40.9175.1-74.6172.8000111.8L261 M283 L285 L290 Y291 L315 L318 L377 L379L261-L287 HydrophobicContact CD1-CB 3.54Å; M283-L287 VanDerWaalsContact O-CB 3.31Å; M283-L287 WeakPolarHBondContact O-CB 3.21Å; M283-L287 WeakPolarHBondContact O-CG 3.31Å; M283-L287 PolarHBondContact O-N 3.5Å; L285-L287 PolarHBondContact O-N 3.4Å; L287-L290 PolarHBondContact O-N 2.94Å; L287-Y291 PolarHBondContact O-N 3.17Å; L287-L315 HydrophobicContact CD2-CD2 3.66Å; L287-L315 HydrophobicContact CG-CD2 3.91Å; L287-L318 HydrophobicContact CD1-CB 4.48Å; L287-L318 HydrophobicContact CD1-CD1 3.76Å; L287-L318 HydrophobicContact CD2-CB 4.47Å; L287-L377 HydrophobicContact CD1-CB 4.44Å; L287-L377 HydrophobicContact CD1-CD2 4.17Å; L287-L377 WeakPolarHBondContact CD1-O 3.39Å; L287-L379 HydrophobicContact CB-CD2 4.1Å; L287-L379 HydrophobicContact CB-CG 4.46Å; L287-L379 HydrophobicContact CD2-CD1 4.07Å; L287-L379 HydrophobicContact CD2-CG 4.23Å
288G97.1Very high96.7Very high0 Ų013.1 Ų13.10%08%0.077CC..Hα-helixtrans-62.5-47.6176.800000112.4K284 L285 L290 Y291 E292K284-G288 PolarHBondContact O-N 2.93Å; L285-G288 PolarHBondContact O-N 3.34Å; G288-L290 VanDerWaalsContact C-N 3.3Å; G288-L290 PolarHBondContact O-N 3.49Å; G288-Y291 PolarHBondContact O-N 3.21Å; G288-E292 WeakPolarHBondContact O-CB 3.48Å; G288-E292 PolarHBondContact O-N 3.43Å
289L97.2Very high96.7Very high1 Ų112.9 Ų12.91%0.0058%0.076CC..Hα-helixtrans-63-39.5175.9-67.3176.2000111.1Y180 I215 P257 T259 L285 L286 Y291 G293 L297Y180-L289 HydrophobicContact CD1-CD1 4.16Å; Y180-L289 HydrophobicContact CD1-CD2 4Å; Y180-L289 HydrophobicContact CD2-CB 4.32Å; Y180-L289 HydrophobicContact CE1-CD2 3.74Å; Y180-L289 HydrophobicContact CE2-CB 4.41Å; Y180-L289 HydrophobicContact CE2-CD2 4.34Å; Y180-L289 HydrophobicContact CG-CD1 4.13Å; Y180-L289 HydrophobicContact CG-CD2 4.43Å; I215-L289 HydrophobicContact CD1-CD1 3.52Å; P257-L289 HydrophobicContact CB-CD2 3.72Å; P257-L289 HydrophobicContact CG-CD2 3.79Å; T259-L289 HydrophobicContact CG2-CD2 4.13Å; T259-L289 HydrophobicContact CG2-CG 4.48Å; L285-L289 HydrophobicContact CD1-CD1 3.91Å; L285-L289 HydrophobicContact CD1-CD2 4.26Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.91Å; L285-L289 HydrophobicContact CG-CG 4.26Å; L285-L289 WeakPolarHBondContact O-CB 3.46Å; L285-L289 VanDerWaalsContact O-CG 3.25Å; L285-L289 WeakPolarHBondContact O-CG 3.35Å; L285-L289 PolarHBondContact O-N 2.86Å; L286-L289 PolarHBondContact O-N 2.91Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.35Å; L289-G293 WeakPolarHBondContact O-CA 3.21Å; L289-G293 PolarHBondContact O-N 3.43Å; L289-L297 HydrophobicContact CB-CD2 3.84Å; L289-L297 HydrophobicContact CD1-CD2 4.27Å
290L95.5Very high96.7Very high0 Ų012.9 Ų12.90%08%0.076CC..Hα-helixtrans-64.4-37176.9-175.561.4000111.6F106 K109 I111 L286 L287 G288 L297 L319F106-L290 HydrophobicContact CB-CD1 4.35Å; F106-L290 HydrophobicContact CB-CD2 4.15Å; F106-L290 HydrophobicContact CB-CG 4.48Å; F106-L290 HydrophobicContact CD1-CD1 4.19Å; F106-L290 HydrophobicContact CD1-CD2 3.82Å; F106-L290 HydrophobicContact CD1-CG 3.68Å; F106-L290 HydrophobicContact CE1-CG 4.42Å; F106-L290 HydrophobicContact CG-CD2 4.27Å; K109-L290 HydrophobicContact CB-CD1 3.91Å; K109-L290 HydrophobicContact CD-CD1 4.33Å; K109-L290 WeakPolarHBondContact CD-O 3.15Å; K109-L290 WeakPolarHBondContact CE-O 3.42Å; K109-L290 PolarHBondContact NZ-O 3.29Å; I111-L290 HydrophobicContact CD1-CD1 3.6Å; I111-L290 HydrophobicContact CD1-CD2 4.04Å; I111-L290 HydrophobicContact CD1-CG 4.49Å; I111-L290 HydrophobicContact CG1-CD1 4.03Å; I111-L290 HydrophobicContact CG1-CD2 4.25Å; L286-L290 VanDerWaalsContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 PolarHBondContact O-N 3.48Å; L287-L290 PolarHBondContact O-N 2.94Å; G288-L290 VanDerWaalsContact C-N 3.3Å; G288-L290 PolarHBondContact O-N 3.49Å; L290-L297 HydrophobicContact CB-CD1 4.22Å; L290-L319 HydrophobicContact CD2-CD1 3.89Å; L290-L319 HydrophobicContact CD2-CD2 4.41Å
291Y94.9Very high96.5Very high58 Ų5812.8 Ų12.823%0.2278%0.075CC..Hα-helixtrans-79.6-57.4177.7-165.3-96.2000112.9F106 K109 L287 G288 L289 L379 Y383 I385F106-Y291 HydrophobicContact CE1-CD2 4.42Å; K109-Y291 PolarHBondContact NZ-O 3.34Å; L287-Y291 PolarHBondContact O-N 3.17Å; G288-Y291 PolarHBondContact O-N 3.21Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.35Å; Y291-L379 HydrophobicContact CD2-CD1 4.48Å; Y291-L379 HydrophobicContact CD2-CD2 4.37Å; Y291-L379 HydrophobicContact CG-CD2 4.33Å; Y291-Y383 AromaticContact CD1-CD1 3.43Å; Y291-Y383 HydrophobicContact CD1-CD1 3.43Å; Y291-Y383 VanDerWaalsContact CD1-CD1 3.43Å; Y291-Y383 AromaticContact CD1-CD2 3.74Å; Y291-Y383 HydrophobicContact CD1-CD2 3.74Å; Y291-Y383 AromaticContact CD1-CE1 3.49Å; Y291-Y383 HydrophobicContact CD1-CE1 3.49Å; Y291-Y383 VanDerWaalsContact CD1-CE1 3.49Å; Y291-Y383 AromaticContact CD1-CE2 3.81Å; Y291-Y383 HydrophobicContact CD1-CE2 3.81Å; Y291-Y383 AromaticContact CD1-CG 3.55Å; Y291-Y383 HydrophobicContact CD1-CG 3.55Å; Y291-Y383 AromaticContact CD1-CZ 3.68Å; Y291-Y383 HydrophobicContact CD2-CD2 4.35Å; Y291-Y383 AromaticContact CE1-CD1 3.35Å; Y291-Y383 HydrophobicContact CE1-CD1 3.35Å; Y291-Y383 HydrophobicContact CE1-CD2 4.01Å; Y291-Y383 AromaticContact CE1-CE1 3.91Å; Y291-Y383 HydrophobicContact CE1-CE1 3.91Å; Y291-Y383 AromaticContact CE1-CG 3.4Å; Y291-Y383 HydrophobicContact CE1-CG 3.4Å; Y291-Y383 VanDerWaalsContact CE1-CG 3.4Å; Y291-Y383 HydrophobicContact CE2-CG 4.49Å; Y291-Y383 HydrophobicContact CG-CD1 4.41Å; Y291-Y383 AromaticContact CG-CD2 3.92Å; Y291-Y383 HydrophobicContact CG-CD2 3.92Å; Y291-Y383 HydrophobicContact CG-CE1 4.38Å; Y291-Y383 AromaticContact CG-CE2 3.91Å; Y291-Y383 HydrophobicContact CG-CE2 3.91Å; Y291-Y383 HydrophobicContact CG-CG 4.17Å; Y291-Y383 AromaticContact CZ-CG 3.92Å; Y291-I385 HydrophobicContact CD2-CD1 4.13Å; Y291-I385 HydrophobicContact CE2-CD1 3.32Å; Y291-I385 HydrophobicContact CE2-CG1 4.05Å
292E94.8Very high96.2Very high86 Ų8612.8 Ų12.840%0.4028%0.076SC..Hα-helixtrans-89-26.6-172.4-62.5-179.4-158.600114.5T259 L260 G288 Y383T259-E292 WeakPolarHBondContact CA-OE2 3.47Å; L260-E292 WeakPolarHBondContact CB-OE1 3.41Å; L260-E292 PolarHBondContact N-OE1 3.27Å; G288-E292 WeakPolarHBondContact O-CB 3.48Å; G288-E292 PolarHBondContact O-N 3.43Å; E292-Y383 HydrophobicContact CG-CE1 3.71Å; E292-Y383 WeakPolarHBondContact OE1-CE1 3.48Å; E292-Y383 PolarHBondContact OE1-OH 3.48Å
293G93.8Very high95.8Very high11 Ų1113.5 Ų13.511%0.1138%0.081CC..SBendtrans-67.4167.8-169.500000114.5K109 Y180 L289 G295K109-G293 WeakPolarHBondContact CE-O 3.26Å; K109-G293 PolarHBondContact NZ-O 3.13Å; Y180-G293 WeakPolarHBondContact OH-CA 3.23Å; L289-G293 WeakPolarHBondContact O-CA 3.21Å; L289-G293 PolarHBondContact O-N 3.43Å; G293-G295 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 2.89Å
294A92.4Very high95.7Very high83 Ų8313.5 Ų13.569%0.6868%0.081SC*.SBendtrans-75.7-19.9-174.600000114.3T179 Y180T179-A294 HydrophobicContact CG2-CB 4.36Å; Y180-A294 PolarHBondContact OH-N 2.94Å
295G93.4Very high95.5Very high0 Ų014 Ų140%08%0.082CC..SBendtrans-162.4-162.8-177.600000113.3T179 G293T179-G295 VanDerWaalsContact OG1-CA 3.28Å; T179-G295 WeakPolarHBondContact OG1-CA 3.41Å; T179-G295 PolarHBondContact OG1-N 2.74Å; G293-G295 VanDerWaalsContact C-N 3.34Å; G293-G295 PolarHBondContact O-N 2.89Å
296G96.3Very high95.5Very high0 Ų014.7 Ų14.70%09%0.086CC..EExtended strand (participates in β ladder)trans-71.7172.5-177.700000115N110 N177 T179 Y180N110-G296 CarbonylContact O-C 3.54Å; N110-G296 WeakPolarHBondContact O-CA 3.13Å; N177-G296 WeakPolarHBondContact O-CA 3.48Å; N177-G296 PolarHBondContact O-N 3.5Å; T179-G296 PolarHBondContact N-O 3.2Å; Y180-G296 PolarHBondContact N-O 2.83Å; Y180-G296 VanDerWaalsContact N-O 3.13Å
297L98.1Very high95.5Very high0 Ų015.5 Ų15.50%09%0.089CC..EExtended strand (participates in β ladder)trans-110138.9179.4-55179.5000109.6N110 C112 Y180 L286 L289 L290 L299 L315N110-L297 PolarHBondContact O-N 2.97Å; C112-L297 PolarHBondContact N-O 3.38Å; Y180-L297 HydrophobicContact CD2-CD2 3.89Å; Y180-L297 HydrophobicContact CG-CD2 4.16Å; Y180-L297 CarbonylContact O-C 3.57Å; Y180-L297 WeakPolarHBondContact O-CA 3.44Å; L286-L297 HydrophobicContact CB-CD1 4.31Å; L286-L297 HydrophobicContact CD2-CD1 4.32Å; L289-L297 HydrophobicContact CB-CD2 3.84Å; L289-L297 HydrophobicContact CD1-CD2 4.27Å; L290-L297 HydrophobicContact CB-CD1 4.22Å; L297-L299 HydrophobicContact CB-CD2 4.1Å; L297-L315 HydrophobicContact CD1-CD1 4.21Å
298L98.3Very high95.5Very high0 Ų015.5 Ų15.50%09%0.089CC..EExtended strand (participates in β ladder)trans-111.3111.5163.5175.157.2000109V100 C112 C114 I173 V178 Y180 I181 C182V100-L298 HydrophobicContact CG1-CD1 3.66Å; V100-L298 HydrophobicContact CG1-CD2 4.26Å; V100-L298 HydrophobicContact CG2-CD1 4.24Å; V100-L298 HydrophobicContact CG2-CD2 3.89Å; C112-L298 HydrophobicContact CB-CD1 3.72Å; C114-L298 HydrophobicContact CB-CD1 4.18Å; C114-L298 VanDerWaalsContact SG-CD1 3.52Å; I173-L298 HydrophobicContact CD1-CD2 3.9Å; I173-L298 HydrophobicContact CG1-CD2 4.14Å; V178-L298 HydrophobicContact CG1-CB 3.67Å; V178-L298 HydrophobicContact CG2-CB 4.4Å; Y180-L298 PolarHBondContact O-N 3.11Å; I181-L298 HydrophobicContact CD1-CD2 4.49Å; I181-L298 HydrophobicContact CG1-CB 4.31Å; I181-L298 HydrophobicContact CG1-CD2 4.26Å; I181-L298 HydrophobicContact CG2-CD2 4.34Å; C182-L298 PolarHBondContact N-O 3.02Å
299L98.4Very high95.6Very high0 Ų015.5 Ų15.50%09%0.089CC..EExtended strand (participates in β ladder)trans-99.6124.2-179.6-56.8-163.4000110.2I111 C112 R113 C114 C182 F184 L286 L297 T308 F311 I312 L315I111-L299 HydrophobicContact CG2-CD1 4.34Å; I111-L299 HydrophobicContact CG2-CG 4.44Å; C112-L299 PolarHBondContact O-N 2.91Å; R113-L299 WeakPolarHBondContact CA-O 3.35Å; C114-L299 PolarHBondContact N-O 2.97Å; C182-L299 HydrophobicContact CB-CD2 3.58Å; F184-L299 HydrophobicContact CE2-CB 4.03Å; F184-L299 HydrophobicContact CE2-CD2 4.44Å; F184-L299 HydrophobicContact CZ-CD2 4.22Å; L286-L299 HydrophobicContact CD1-CD1 4.43Å; L286-L299 HydrophobicContact CD1-CD2 4.45Å; L286-L299 HydrophobicContact CD2-CD2 3.88Å; L297-L299 HydrophobicContact CB-CD2 4.1Å; L299-T308 HydrophobicContact CB-CG2 4.5Å; L299-T308 VanDerWaalsContact O-CG2 3.28Å; L299-T308 WeakPolarHBondContact O-CG2 3.3Å; L299-F311 HydrophobicContact CD1-CB 3.84Å; L299-I312 HydrophobicContact CB-CD1 4.27Å; L299-I312 HydrophobicContact CD1-CD1 3.73Å; L299-I312 HydrophobicContact CD1-CG1 4.18Å; L299-I312 HydrophobicContact CG-CD1 4.17Å; L299-L315 HydrophobicContact CD1-CD1 3.82Å
300H97.3Very high95.7Very high0 Ų015.4 Ų15.40%09%0.089CC..EExtended strand (participates in β ladder)trans-148.8159.9176.571.997.5000113.4C114 I181 C182 D183 F184 E201 T308C114-H300 WeakPolarHBondContact O-CB 3.09Å; C114-H300 VanDerWaalsContact SG-CB 3.53Å; I181-H300 WeakPolarHBondContact CG2-NE2 2.95Å; C182-H300 PolarHBondContact O-N 2.82Å; D183-H300 WeakPolarHBondContact CB-NE2 3.49Å; D183-H300 IonicContact OD1-CE1 2.9Å; D183-H300 PolarHBondContact OD1-CE1 3.46Å; D183-H300 IonicContact OD1-ND1 3.25Å; D183-H300 IonicContact OD2-CE1 3.64Å; F184-H300 WeakPolarHBondContact CD2-O 3.32Å; F184-H300 PolarHBondContact N-O 3.29Å; E201-H300 IonicContact OE1-CD2 3.46Å; E201-H300 IonicContact OE1-CE1 3.76Å; E201-H300 IonicContact OE1-NE2 2.7Å; E201-H300 PolarHBondContact OE1-NE2 2.91Å; E201-H300 IonicContact OE2-CE1 3.22Å; E201-H300 PolarHBondContact OE2-CE1 3.44Å; E201-H300 IonicContact OE2-ND1 2.68Å; E201-H300 IonicContact OE2-NE2 2.93Å; E201-H300 PolarHBondContact OE2-NE2 2.98Å; H300-T308 VanDerWaalsContact CA-OG1 3.32Å; H300-T308 WeakPolarHBondContact CA-OG1 3.47Å
301C94.4Very high95.8Very high1 Ų115.4 Ų15.41%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-135.8-169.9163.9690000108.1T116 F184 S303 G304 R307 T308T116-C301 PolarHBondContact N-O 3.18Å; F184-C301 HydrophobicContact CB-CB 4.2Å; C301-S303 PolarHBondContact O-N 3.27Å; C301-G304 PolarHBondContact O-N 3.42Å; C301-G304 PolarHBondContact SG-N 2.97Å; C301-R307 HydrophobicContact CB-CB 3.94Å; C301-T308 PolarHBondContact N-OG1 2.88Å; C301-T308 VanDerWaalsContact N-OG1 3.14Å
302V90.6Very high96Very high14 Ų1412.7 Ų12.79%0.0858%0.078CC..SBendtrans-48.5-64.2-176.3-174.90000112.2T116 M185 K190T116-V302 WeakPolarHBondContact CG2-O 3.48Å; T116-V302 PolarHBondContact N-O 2.93Å; M185-V302 HydrophobicContact CE-CG2 4.02Å; M185-V302 HydrophobicContact CG-CG2 3.72Å; M185-V302 HydrophobicContact SD-CG2 4.05Å; K190-V302 HydrophobicContact CB-CG1 4.12Å; K190-V302 HydrophobicContact CD-CG1 4.14Å; K190-V302 HydrophobicContact CD-CG2 4.39Å; K190-V302 HydrophobicContact CG-CG1 4.08Å
303S90.5Very high96.2Very high16 Ų168.6 Ų8.611%0.1126%0.059CC..SBendtrans-93.3-13.4-179.7-55.30000113.5R96 R98 C301 W305R96-S303 PolarHBondContact NH1-OG 3.45Å; R98-S303 WeakPolarHBondContact CD-O 3.44Å; R98-S303 PolarHBondContact NE-O 3.17Å; C301-S303 PolarHBondContact O-N 3.27Å; S303-W305 VanDerWaalsContact C-N 3.34Å; S303-W305 PolarHBondContact O-N 2.89Å; S303-W305 WeakPolarHBondContact OG-CZ2 3.46Å
304G94.7Very high96.4Very high0 Ų08 Ų80%05%0.053CC..SBendtrans71.818.4-178.800000115.7R98 C114 C301 T308R98-G304 PolarHBondContact NH2-O 3.42Å; C114-G304 VanDerWaalsContact O-CA 3.32Å; C114-G304 WeakPolarHBondContact O-CA 3.47Å; C301-G304 PolarHBondContact O-N 3.42Å; C301-G304 PolarHBondContact SG-N 2.97Å; G304-T308 WeakPolarHBondContact CA-OG1 3.24Å
305W94.7Very high96.7Very high25 Ų254.1 Ų4.110%0.0952%0.021CC..SBendtrans-126.32.2-17564.446.2000115.2S303 P309 H348 K349S303-W305 VanDerWaalsContact C-N 3.34Å; S303-W305 PolarHBondContact O-N 2.89Å; S303-W305 WeakPolarHBondContact OG-CZ2 3.46Å; W305-P309 VanDerWaalsContact C-CD 3.48Å; W305-P309 VanDerWaalsContact C-CG 3.43Å; W305-P309 VanDerWaalsContact O-CG 3.3Å; W305-P309 WeakPolarHBondContact O-CG 3.39Å; W305-H348 PolarHBondContact O-ND1 3.35Å; W305-K349 HydrophobicContact CD2-CG 4.17Å; W305-K349 HydrophobicContact CG-CG 4.5Å; W305-K349 HydrophobicContact CZ2-CG 4.33Å
306D97.3Very high96.9Very high13 Ų134.1 Ų4.17%0.072%0.021CC..SBendtrans-119-79.3176.8-63.8-56.6000110.8T308 P309 L310 H348 R353 I360D306-T308 VanDerWaalsContact C-N 3.29Å; D306-T308 PolarHBondContact O-N 3.47Å; D306-P309 WeakPolarHBondContact O-CD 3.18Å; D306-P309 WeakPolarHBondContact O-CG 3Å; D306-L310 PolarHBondContact O-N 3.3Å; D306-H348 IonicContact OD1-CE1 2.81Å; D306-H348 IonicContact OD1-ND1 3.41Å; D306-R353 IonicContact OD1-CZ 2.84Å; D306-R353 IonicContact OD1-NE 2.72Å; D306-R353 PolarHBondContact OD1-NE 3.45Å; D306-R353 IonicContact OD1-NH2 3.44Å; D306-R353 PolarHBondContact OD1-NH2 2.92Å; D306-R353 IonicContact OD2-CZ 3.99Å; D306-R353 IonicContact OD2-NE 3.06Å; D306-R353 IonicContact OD2-NH2 2.84Å; D306-R353 PolarHBondContact OD2-NH2 2.65Å; D306-I360 HydrophobicContact CB-CD1 4.01Å
307R98.1Very high97Very high17 Ų174.1 Ų4.16%0.0642%0.021CC..Hα-helixtrans-63-35179-67.5167.7-83.1-164.2-3.8112.9F184 Y219 P220 C301 L310 F311F184-R307 HydrophobicContact CB-CB 4.14Å; F184-R307 HydrophobicContact CD2-CB 4.36Å; F184-R307 HydrophobicContact CG-CB 4.47Å; F184-R307 PolarHBondContact O-NH1 3.13Å; Y219-R307 HydrophobicContact CD1-CG 3.79Å; Y219-R307 HydrophobicContact CE1-CG 4.47Å; Y219-R307 WeakPolarHBondContact O-CD 3.38Å; Y219-R307 PolarHBondContact O-NH1 3.24Å; P220-R307 WeakPolarHBondContact O-CD 3.46Å; C301-R307 HydrophobicContact CB-CB 3.94Å; R307-L310 WeakPolarHBondContact O-CB 3.39Å; R307-L310 PolarHBondContact O-N 3.45Å; R307-F311 WeakPolarHBondContact O-CD2 3.4Å; R307-F311 PolarHBondContact O-N 2.95Å
308T98.6Very high97Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-61.7-57.2179-57.90000112.2R113 L299 H300 C301 G304 D306 L310 F311 I312R113-T308 HydrophobicContact CB-CG2 3.7Å; L299-T308 HydrophobicContact CB-CG2 4.5Å; L299-T308 VanDerWaalsContact O-CG2 3.28Å; L299-T308 WeakPolarHBondContact O-CG2 3.3Å; H300-T308 VanDerWaalsContact CA-OG1 3.32Å; H300-T308 WeakPolarHBondContact CA-OG1 3.47Å; C301-T308 PolarHBondContact N-OG1 2.88Å; C301-T308 VanDerWaalsContact N-OG1 3.14Å; G304-T308 WeakPolarHBondContact CA-OG1 3.24Å; D306-T308 VanDerWaalsContact C-N 3.29Å; D306-T308 PolarHBondContact O-N 3.47Å; T308-L310 VanDerWaalsContact C-N 3.28Å; T308-L310 PolarHBondContact O-N 3.17Å; T308-F311 PolarHBondContact O-N 3.4Å; T308-I312 HydrophobicContact CG2-CG1 4.3Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.31Å; T308-I312 PolarHBondContact O-N 3.38Å
309P98.5Very high96.9Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-62.8-30.4176.623.5-33.2000113.9W305 D306 I312 C313 D342 W343W305-P309 VanDerWaalsContact C-CD 3.48Å; W305-P309 VanDerWaalsContact C-CG 3.43Å; W305-P309 VanDerWaalsContact O-CG 3.3Å; W305-P309 WeakPolarHBondContact O-CG 3.39Å; D306-P309 WeakPolarHBondContact O-CD 3.18Å; D306-P309 WeakPolarHBondContact O-CG 3Å; P309-I312 PolarHBondContact O-N 3.39Å; P309-C313 WeakPolarHBondContact O-CB 3.5Å; P309-C313 PolarHBondContact O-N 3.14Å; P309-D342 VanDerWaalsContact CB-O 3.27Å; P309-D342 WeakPolarHBondContact CB-O 3.43Å; P309-W343 HydrophobicContact CB-CD2 3.8Å; P309-W343 HydrophobicContact CB-CE3 3.85Å; P309-W343 HydrophobicContact CB-CG 4.32Å; P309-W343 HydrophobicContact CB-CH2 4.36Å; P309-W343 HydrophobicContact CB-CZ2 4.29Å; P309-W343 HydrophobicContact CB-CZ3 4.15Å; P309-W343 HydrophobicContact CG-CD2 4.29Å; P309-W343 HydrophobicContact CG-CE3 3.81Å; P309-W343 HydrophobicContact CG-CH2 4.25Å; P309-W343 HydrophobicContact CG-CZ3 3.8Å
310L98.7Very high96.7Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-52.4-59.8169.916669.5000111Y219 D306 R307 T308 I312 C313 L314 W343 I360 F363 T364Y219-L310 HydrophobicContact CD1-CD2 4.49Å; Y219-L310 HydrophobicContact CE1-CD2 3.57Å; D306-L310 PolarHBondContact O-N 3.3Å; R307-L310 WeakPolarHBondContact O-CB 3.39Å; R307-L310 PolarHBondContact O-N 3.45Å; T308-L310 VanDerWaalsContact C-N 3.28Å; T308-L310 PolarHBondContact O-N 3.17Å; L310-I312 PolarHBondContact O-N 2.7Å; L310-C313 PolarHBondContact O-N 2.79Å; L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CG 4.22Å; L310-L314 HydrophobicContact CG-CD1 4.3Å; L310-L314 VanDerWaalsContact O-CG 3.29Å; L310-L314 WeakPolarHBondContact O-CG 2.98Å; L310-L314 PolarHBondContact O-N 3.12Å; L310-W343 HydrophobicContact CB-CH2 4.16Å; L310-W343 HydrophobicContact CB-CZ2 4.27Å; L310-I360 HydrophobicContact CD2-CD1 4.49Å; L310-F363 HydrophobicContact CD1-CD1 4.09Å; L310-F363 HydrophobicContact CD1-CE1 4.12Å; L310-F363 HydrophobicContact CD2-CE1 4.45Å; L310-T364 HydrophobicContact CD1-CG2 3.83Å; L310-T364 WeakPolarHBondContact CD1-OG1 3.26Å
311F98.7Very high96.7Very high0 Ų04.3 Ų4.30%02%0.022CC..Hα-helixtrans-70-32.6-176.7-72.6-72.9000113.4F184 Y219 T279 Y282 M283 L286 L299 R307 T308 L315F184-F311 AromaticContact CD1-CD2 3.95Å; F184-F311 HydrophobicContact CD1-CD2 3.95Å; F184-F311 AromaticContact CD1-CE2 3.66Å; F184-F311 HydrophobicContact CD1-CE2 3.66Å; F184-F311 HydrophobicContact CD1-CZ 4.35Å; F184-F311 AromaticContact CD2-CD2 3.84Å; F184-F311 HydrophobicContact CD2-CD2 3.84Å; F184-F311 HydrophobicContact CD2-CE2 4.26Å; F184-F311 HydrophobicContact CE1-CD1 4.45Å; F184-F311 AromaticContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CE1 4.44Å; F184-F311 AromaticContact CE1-CE2 3.52Å; F184-F311 HydrophobicContact CE1-CE2 3.52Å; F184-F311 HydrophobicContact CE1-CG 4.04Å; F184-F311 HydrophobicContact CE1-CZ 4.02Å; F184-F311 HydrophobicContact CE2-CB 4.07Å; F184-F311 AromaticContact CE2-CD2 3.39Å; F184-F311 HydrophobicContact CE2-CD2 3.39Å; F184-F311 HydrophobicContact CE2-CE2 4.13Å; F184-F311 AromaticContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CG-CD2 4.11Å; F184-F311 HydrophobicContact CG-CE2 4.05Å; F184-F311 HydrophobicContact CZ-CB 3.91Å; F184-F311 HydrophobicContact CZ-CD1 4.24Å; F184-F311 AromaticContact CZ-CD2 3.23Å; F184-F311 HydrophobicContact CZ-CD2 3.23Å; F184-F311 AromaticContact CZ-CE2 3.78Å; F184-F311 HydrophobicContact CZ-CE2 3.78Å; F184-F311 AromaticContact CZ-CG 3.53Å; F184-F311 HydrophobicContact CZ-CG 3.53Å; F184-F311 HydrophobicContact CZ-CZ 4.47Å; Y219-F311 HydrophobicContact CD1-CE2 4.22Å; Y219-F311 HydrophobicContact CD2-CE2 4.08Å; Y219-F311 AromaticContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CE1-CE2 4.46Å; Y219-F311 HydrophobicContact CE2-CE2 4.35Å; Y219-F311 AromaticContact CE2-CZ 3.74Å; Y219-F311 HydrophobicContact CE2-CZ 3.74Å; Y219-F311 HydrophobicContact CG-CE2 4Å; Y219-F311 HydrophobicContact CG-CZ 4.09Å; T279-F311 HydrophobicContact CG2-CE1 4.42Å; Y282-F311 HydrophobicContact CD2-CE1 4.34Å; Y282-F311 AromaticContact CD2-CZ 3.86Å; Y282-F311 HydrophobicContact CD2-CZ 3.86Å; M283-F311 HydrophobicContact SD-CD1 3.67Å; M283-F311 HydrophobicContact SD-CE1 4.22Å; L286-F311 HydrophobicContact CD1-CB 4.18Å; L286-F311 HydrophobicContact CD1-CD1 3.75Å; L286-F311 HydrophobicContact CD1-CG 4.17Å; L299-F311 HydrophobicContact CD1-CB 3.84Å; R307-F311 WeakPolarHBondContact O-CD2 3.4Å; R307-F311 PolarHBondContact O-N 2.95Å; T308-F311 PolarHBondContact O-N 3.4Å; F311-L315 WeakPolarHBondContact O-CB 3.44Å; F311-L315 WeakPolarHBondContact O-CG 3.35Å; F311-L315 PolarHBondContact O-N 3.44Å
312I98.7Very high96.6Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-62.6-48.8173.8-68-68000110.7F104 I111 R113 L299 T308 P309 L310 L315 R316 D342F104-I312 HydrophobicContact CE1-CG2 4.08Å; I111-I312 HydrophobicContact CG2-CD1 3.41Å; I111-I312 VanDerWaalsContact CG2-CD1 3.41Å; R113-I312 HydrophobicContact CB-CD1 4.48Å; L299-I312 HydrophobicContact CB-CD1 4.27Å; L299-I312 HydrophobicContact CD1-CD1 3.73Å; L299-I312 HydrophobicContact CD1-CG1 4.18Å; L299-I312 HydrophobicContact CG-CD1 4.17Å; T308-I312 HydrophobicContact CG2-CG1 4.3Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.31Å; T308-I312 PolarHBondContact O-N 3.38Å; P309-I312 PolarHBondContact O-N 3.39Å; L310-I312 PolarHBondContact O-N 2.7Å; I312-L315 PolarHBondContact O-N 2.87Å; I312-R316 PolarHBondContact O-N 2.84Å; I312-D342 HydrophobicContact CG2-CB 4.17Å; I312-D342 WeakPolarHBondContact CG2-OD1 3.28Å
313C98.7Very high96.7Very high0 Ų05.8 Ų5.80%03%0.03CC..Hα-helixtrans-59.8-49.2178.3-178.90000110.7P309 L310 L315 R316 C317 T364P309-C313 WeakPolarHBondContact O-CB 3.5Å; P309-C313 PolarHBondContact O-N 3.14Å; L310-C313 PolarHBondContact O-N 2.79Å; C313-L315 PolarHBondContact O-N 3.34Å; C313-R316 PolarHBondContact O-N 3.01Å; C313-C317 WeakPolarHBondContact O-CB 3.43Å; C313-C317 PolarHBondContact O-N 3.05Å; C313-C317 PolarHBondContact O-SG 2.7Å; C313-T364 HydrophobicContact CB-CG2 4.16Å
314L98.6Very high96.8Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-60.5-43.7179.7-67.3-179.6000112.6T279 M283 L310 C317 L318 T364 F367 I368 M371T279-L314 HydrophobicContact CG2-CD1 3.78Å; M283-L314 HydrophobicContact CE-CB 3.61Å; M283-L314 HydrophobicContact CG-CD1 4.22Å; M283-L314 HydrophobicContact SD-CB 3.73Å; M283-L314 HydrophobicContact SD-CD1 4.03Å; L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CG 4.22Å; L310-L314 HydrophobicContact CG-CD1 4.3Å; L310-L314 VanDerWaalsContact O-CG 3.29Å; L310-L314 WeakPolarHBondContact O-CG 2.98Å; L310-L314 PolarHBondContact O-N 3.12Å; L314-C317 PolarHBondContact O-N 2.91Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.44Å; L314-L318 PolarHBondContact O-N 3.14Å; L314-T364 HydrophobicContact CD2-CG2 4.07Å; L314-T364 HydrophobicContact CG-CG2 4.35Å; L314-F367 HydrophobicContact CD1-CD1 3.92Å; L314-F367 HydrophobicContact CD1-CE1 4.05Å; L314-F367 HydrophobicContact CD2-CD1 3.73Å; L314-F367 HydrophobicContact CD2-CE1 4.39Å; L314-F367 HydrophobicContact CG-CD1 4.5Å; L314-I368 HydrophobicContact CD2-CD1 4.38Å; L314-I368 HydrophobicContact CD2-CG1 3.7Å; L314-M371 HydrophobicContact CD2-CE 4.08Å; L314-M371 HydrophobicContact CD2-SD 4.06Å
315L98.3Very high96.7Very high0 Ų07.2 Ų7.20%04%0.036CC..Hα-helixtrans-61.2-46.6176.1-78172000111.3F104 I111 M283 L286 L287 L297 L299 F311 I312 C313 L318 L319F104-L315 HydrophobicContact CZ-CB 3.87Å; I111-L315 HydrophobicContact CG2-CD1 4.08Å; M283-L315 HydrophobicContact CE-CB 4.4Å; M283-L315 HydrophobicContact CE-CD2 3.7Å; M283-L315 HydrophobicContact CE-CG 3.81Å; L286-L315 HydrophobicContact CB-CD1 4.39Å; L286-L315 HydrophobicContact CB-CD2 3.95Å; L286-L315 HydrophobicContact CD1-CD1 4.44Å; L287-L315 HydrophobicContact CD2-CD2 3.66Å; L287-L315 HydrophobicContact CG-CD2 3.91Å; L297-L315 HydrophobicContact CD1-CD1 4.21Å; L299-L315 HydrophobicContact CD1-CD1 3.82Å; F311-L315 WeakPolarHBondContact O-CB 3.44Å; F311-L315 WeakPolarHBondContact O-CG 3.35Å; F311-L315 PolarHBondContact O-N 3.44Å; I312-L315 PolarHBondContact O-N 2.87Å; C313-L315 PolarHBondContact O-N 3.34Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 3.38Å
316R97.9Very high96.7Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-61.2-47.2179.8-166.1-168.6-68.4-85.4-4.6111.1S103 F104 I312 C313 L319 W320 M325 H326 M334 D342S103-R316 PolarHBondContact O-NH2 3.22Å; F104-R316 VanDerWaalsContact CD1-NH2 3.32Å; F104-R316 HydrophobicContact CE1-CB 3.92Å; F104-R316 HydrophobicContact CE1-CG 4.45Å; F104-R316 HydrophobicContact CZ-CB 4.14Å; I312-R316 PolarHBondContact O-N 2.84Å; C313-R316 PolarHBondContact O-N 3.01Å; R316-L319 PolarHBondContact O-N 2.87Å; R316-W320 WeakPolarHBondContact O-CB 3.17Å; R316-W320 PolarHBondContact O-N 2.95Å; R316-M325 HydrophobicContact CG-CE 4.31Å; R316-H326 PolarHBondContact NH1-NE2 3.19Å; R316-M334 HydrophobicContact CB-CE 4.04Å; R316-M334 HydrophobicContact CG-CE 3.51Å; R316-D342 WeakPolarHBondContact CD-OD2 3.07Å; R316-D342 IonicContact CZ-OD1 3.63Å; R316-D342 IonicContact CZ-OD2 3.96Å; R316-D342 IonicContact NE-OD1 3.55Å; R316-D342 PolarHBondContact NE-OD1 2.83Å; R316-D342 IonicContact NE-OD2 3.86Å; R316-D342 PolarHBondContact NE-OD2 3.29Å; R316-D342 IonicContact NH2-OD1 3.4Å; R316-D342 PolarHBondContact NH2-OD1 3.18Å; R316-D342 IonicContact NH2-OD2 2.75Å
317C98.2Very high96.4Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-63.5-40.8179.4-67.50000112.8C313 L314 W320 A321 M334 I368 M371 L418 L421C313-C317 WeakPolarHBondContact O-CB 3.43Å; C313-C317 PolarHBondContact O-N 3.05Å; C313-C317 PolarHBondContact O-SG 2.7Å; L314-C317 PolarHBondContact O-N 2.91Å; C317-W320 PolarHBondContact O-N 3.17Å; C317-A321 VanDerWaalsContact O-CB 3.29Å; C317-A321 WeakPolarHBondContact O-CB 3.36Å; C317-A321 PolarHBondContact O-N 2.97Å; C317-M334 HydrophobicContact CB-CE 4.32Å; C317-I368 HydrophobicContact CB-CD1 4.28Å; C317-M371 HydrophobicContact CB-CE 4.44Å; C317-L418 HydrophobicContact CB-CD2 4.35Å; C317-L421 HydrophobicContact CB-CD2 4.28Å
318L97.2Very high96.1Very high0 Ų08.7 Ų8.70%05%0.053CC..Hα-helixtrans-67.7-42.3178.3-73.3170.8000112M283 L287 L314 L315 W320 A321 D322 M371 L377 L418M283-L318 HydrophobicContact CE-CD1 3.46Å; M283-L318 VanDerWaalsContact CE-CD1 3.46Å; L287-L318 HydrophobicContact CD1-CB 4.48Å; L287-L318 HydrophobicContact CD1-CD1 3.76Å; L287-L318 HydrophobicContact CD2-CB 4.47Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.44Å; L314-L318 PolarHBondContact O-N 3.14Å; L315-L318 PolarHBondContact O-N 3.35Å; L318-W320 VanDerWaalsContact C-N 3.33Å; L318-W320 PolarHBondContact O-N 3.23Å; L318-A321 PolarHBondContact O-N 3.45Å; L318-D322 WeakPolarHBondContact O-CB 3.4Å; L318-D322 PolarHBondContact O-N 2.95Å; L318-M371 HydrophobicContact CD1-CE 4.26Å; L318-M371 HydrophobicContact CD1-SD 4.13Å; L318-M371 HydrophobicContact CD2-CE 3.53Å; L318-M371 HydrophobicContact CD2-CG 4.37Å; L318-M371 HydrophobicContact CD2-SD 3.83Å; L318-M371 HydrophobicContact CG-CE 3.59Å; L318-M371 HydrophobicContact CG-SD 4.06Å; L318-L377 HydrophobicContact CD1-CB 4.43Å; L318-L377 HydrophobicContact CD1-CD1 4.4Å; L318-L377 HydrophobicContact CD2-CB 4.27Å; L318-L418 HydrophobicContact CD2-CD1 4.33Å
319L95.8Very high95.9Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-63.2-39.6174.5-68.5169.1000112F104 F106 L290 L315 R316 D323 L324 M325 L379F104-L319 HydrophobicContact CE2-CD1 3.63Å; F104-L319 HydrophobicContact CZ-CD1 4.29Å; F106-L319 HydrophobicContact CB-CD1 4.1Å; F106-L319 HydrophobicContact CD1-CD2 4.23Å; F106-L319 HydrophobicContact CD2-CD1 4.42Å; F106-L319 HydrophobicContact CD2-CD2 3.98Å; F106-L319 HydrophobicContact CE1-CD2 4.17Å; F106-L319 HydrophobicContact CE2-CD2 4Å; F106-L319 HydrophobicContact CG-CD1 4.18Å; F106-L319 HydrophobicContact CG-CD2 4.09Å; F106-L319 HydrophobicContact CZ-CD2 4.04Å; L290-L319 HydrophobicContact CD2-CD1 3.89Å; L290-L319 HydrophobicContact CD2-CD2 4.41Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 3.38Å; R316-L319 PolarHBondContact O-N 2.87Å; L319-D323 PolarHBondContact O-N 3.38Å; L319-L324 HydrophobicContact CD2-CB 4.34Å; L319-L324 HydrophobicContact CD2-CD1 4.34Å; L319-L324 WeakPolarHBondContact O-CB 3.13Å; L319-L324 PolarHBondContact O-N 3.47Å; L319-M325 HydrophobicContact CB-CB 4.02Å; L319-M325 HydrophobicContact CD1-SD 4.35Å; L319-M325 PolarHBondContact O-N 3.1Å; L319-L379 HydrophobicContact CD2-CD1 3.59Å
320W96.1Very high95.8Very high1 Ų111.7 Ų11.70%0.0047%0.071CC..Hα-helixtrans-65.9-45.6175.416774.4000113.1R316 C317 L318 D322 D323 M325 L329 P331 M334 R417 L421R316-W320 WeakPolarHBondContact O-CB 3.17Å; R316-W320 PolarHBondContact O-N 2.95Å; C317-W320 PolarHBondContact O-N 3.17Å; L318-W320 VanDerWaalsContact C-N 3.33Å; L318-W320 PolarHBondContact O-N 3.23Å; W320-D322 VanDerWaalsContact C-N 3.26Å; W320-D322 PolarHBondContact O-N 3.46Å; W320-D323 WeakPolarHBondContact O-CA 3.32Å; W320-D323 PolarHBondContact O-N 3.41Å; W320-M325 VanDerWaalsContact CA-O 3.23Å; W320-M325 WeakPolarHBondContact CA-O 3.13Å; W320-L329 PolarHBondContact NE1-O 3.31Å; W320-P331 HydrophobicContact CH2-CB 4.08Å; W320-P331 HydrophobicContact CH2-CG 3.93Å; W320-P331 HydrophobicContact CZ2-CB 4.35Å; W320-P331 HydrophobicContact CZ2-CG 3.98Å; W320-M334 HydrophobicContact CB-CE 3.92Å; W320-M334 HydrophobicContact CB-SD 4.22Å; W320-M334 HydrophobicContact CD2-CB 4.25Å; W320-M334 HydrophobicContact CD2-CG 3.73Å; W320-M334 HydrophobicContact CD2-SD 4.32Å; W320-M334 HydrophobicContact CE3-CG 3.91Å; W320-M334 HydrophobicContact CG-CE 4.25Å; W320-M334 HydrophobicContact CG-CG 4.08Å; W320-M334 HydrophobicContact CG-SD 4.02Å; W320-M334 HydrophobicContact CH2-CB 4.47Å; W320-M334 HydrophobicContact CZ2-CB 4.13Å; W320-M334 HydrophobicContact CZ2-CG 4.43Å; W320-M334 HydrophobicContact CZ3-CG 4.32Å; W320-R417 HydrophobicContact CH2-CB 3.68Å; W320-R417 HydrophobicContact CH2-CG 4.16Å; W320-R417 WeakPolarHBondContact CH2-O 3.43Å; W320-R417 HydrophobicContact CZ2-CB 4.29Å; W320-R417 HydrophobicContact CZ2-CG 4.31Å; W320-R417 HydrophobicContact CZ3-CB 3.84Å; W320-R417 WeakPolarHBondContact CZ3-O 3.36Å; W320-R417 PolarHBondContact O-NH1 3.14Å; W320-L421 HydrophobicContact CE3-CD2 4.32Å; W320-L421 HydrophobicContact CH2-CB 4.3Å; W320-L421 HydrophobicContact CZ3-CB 4.08Å; W320-L421 HydrophobicContact CZ3-CD2 3.86Å
321A95.8Very high95.7Very high4 Ų412.7 Ų12.73%0.0338%0.077CC..Hα-helixtrans-65.1-34.3178.600000112.2C317 L318 D323 R414 L418C317-A321 VanDerWaalsContact O-CB 3.29Å; C317-A321 WeakPolarHBondContact O-CB 3.36Å; C317-A321 PolarHBondContact O-N 2.97Å; L318-A321 PolarHBondContact O-N 3.45Å; A321-D323 PolarHBondContact O-N 3.08Å; A321-R414 HydrophobicContact CB-CG 3.8Å; A321-L418 HydrophobicContact CB-CD1 3.76Å; A321-L418 HydrophobicContact CB-CD2 3.56Å; A321-L418 HydrophobicContact CB-CG 3.44Å; A321-L418 VanDerWaalsContact CB-CG 3.44Å
322D93.4Very high95.6Very high5 Ų514.2 Ų14.23%0.0279%0.085CC..THydrogen-bonded Turntrans-764.2171.1-78.6-16.8000112.8L318 W320 L324 S378 L379 R380 R414L318-D322 WeakPolarHBondContact O-CB 3.4Å; L318-D322 PolarHBondContact O-N 2.95Å; W320-D322 VanDerWaalsContact C-N 3.26Å; W320-D322 PolarHBondContact O-N 3.46Å; D322-L324 HydrophobicContact CB-CB 4.48Å; D322-L324 HydrophobicContact CB-CD1 3.78Å; D322-L324 HydrophobicContact CB-CG 3.91Å; D322-L324 PolarHBondContact O-N 3.16Å; D322-S378 WeakPolarHBondContact OD1-CB 3.42Å; D322-S378 PolarHBondContact OD1-OG 3.16Å; D322-S378 VanDerWaalsContact OD2-CA 3.32Å; D322-S378 WeakPolarHBondContact OD2-CA 3.33Å; D322-L379 PolarHBondContact OD2-N 3.03Å; D322-R380 HydrophobicContact CB-CG 4.27Å; D322-R380 VanDerWaalsContact O-CD 3.3Å; D322-R380 WeakPolarHBondContact O-CD 3.46Å; D322-R380 PolarHBondContact O-NE 3.48Å; D322-R380 PolarHBondContact O-NH2 3.34Å; D322-R414 WeakPolarHBondContact OD1-CD 3.39Å; D322-R414 IonicContact OD1-NE 3.59Å; D322-R414 PolarHBondContact OD1-NE 2.9Å
323D92.1Very high95.6Very high41 Ų4114.4 Ų14.422%0.2199%0.086CC..THydrogen-bonded Turntrans56.734.5-179.4-149.955.4000112.8L319 W320 A321 C327 R380 R417L319-D323 PolarHBondContact O-N 3.38Å; W320-D323 WeakPolarHBondContact O-CA 3.32Å; W320-D323 PolarHBondContact O-N 3.41Å; A321-D323 PolarHBondContact O-N 3.08Å; D323-C327 PolarHBondContact O-SG 3.08Å; D323-C327 WeakPolarHBondContact OD1-CB 3.4Å; D323-R380 PolarHBondContact O-NH2 3.12Å; D323-R417 IonicContact OD1-CZ 3.82Å; D323-R417 IonicContact OD1-NH1 2.93Å; D323-R417 PolarHBondContact OD1-NH1 3.22Å; D323-R417 IonicContact OD1-NH2 3.92Å; D323-R417 PolarHBondContact OD1-NH2 3.02Å; D323-R417 VanDerWaalsContact OD1-NH2 3.17Å
324L92.6Very high95.5Very high31 Ų3114.4 Ų14.416%0.1629%0.086CC..SBendtrans-105.5-16.3-177.9-72.3176.3000112.7F106 L319 D322 L379 R380 I385F106-L324 HydrophobicContact CE2-CB 3.83Å; F106-L324 HydrophobicContact CZ-CB 4.39Å; F106-L324 HydrophobicContact CZ-CD1 4.26Å; L319-L324 HydrophobicContact CD2-CB 4.34Å; L319-L324 HydrophobicContact CD2-CD1 4.34Å; L319-L324 WeakPolarHBondContact O-CB 3.13Å; L319-L324 PolarHBondContact O-N 3.47Å; D322-L324 HydrophobicContact CB-CB 4.48Å; D322-L324 HydrophobicContact CB-CD1 3.78Å; D322-L324 HydrophobicContact CB-CG 3.91Å; D322-L324 PolarHBondContact O-N 3.16Å; L324-L379 HydrophobicContact CD1-CB 3.63Å; L324-L379 HydrophobicContact CD1-CD1 3.9Å; L324-L379 HydrophobicContact CD1-CG 4.39Å; L324-R380 HydrophobicContact CD1-CG 4.39Å; L324-R380 HydrophobicContact CD2-CG 4.32Å; L324-R380 HydrophobicContact CG-CG 4.32Å; L324-I385 HydrophobicContact CD1-CD1 4.27Å; L324-I385 HydrophobicContact CD2-CD1 4.36Å; L324-I385 HydrophobicContact CD2-CG2 4.25Å
325M93.3Very high95.5Very high15 Ų1514.4 Ų14.47%0.0749%0.086CC..SBendtrans-157.7151.1177.9-159.5174.3111.500109.5F104 S105 F106 R316 L319 W320 C327F104-M325 HydrophobicContact CB-CE 3.56Å; F104-M325 HydrophobicContact CB-SD 4.49Å; F104-M325 HydrophobicContact CD2-CE 3.37Å; F104-M325 HydrophobicContact CD2-SD 3.58Å; F104-M325 VanDerWaalsContact CD2-SD 3.58Å; F104-M325 HydrophobicContact CE2-CE 4.11Å; F104-M325 HydrophobicContact CE2-SD 4.16Å; F104-M325 HydrophobicContact CG-CE 3.6Å; F104-M325 HydrophobicContact CG-SD 4.37Å; S105-M325 VanDerWaalsContact O-SD 3.38Å; F106-M325 HydrophobicContact CB-SD 4.35Å; R316-M325 HydrophobicContact CG-CE 4.31Å; L319-M325 HydrophobicContact CB-CB 4.02Å; L319-M325 HydrophobicContact CD1-SD 4.35Å; L319-M325 PolarHBondContact O-N 3.1Å; W320-M325 VanDerWaalsContact CA-O 3.23Å; W320-M325 WeakPolarHBondContact CA-O 3.13Å; M325-C327 PolarHBondContact O-N 2.74Å
326H93.4Very high95.5Very high1 Ų114.6 Ų14.61%0.0059%0.086CC..SBendtrans55.630.4-177.8-62.1-46.9000113.4D47 R316 S328 L329D47-H326 WeakPolarHBondContact OD2-CA 3.4Å; R316-H326 PolarHBondContact NH1-NE2 3.19Å; H326-S328 PolarHBondContact O-N 2.63Å; H326-S328 VanDerWaalsContact O-N 3.08Å; H326-L329 HydrophobicContact CB-CB 4.37Å; H326-L329 HydrophobicContact CB-CD1 3.81Å; H326-L329 HydrophobicContact CB-CG 3.93Å; H326-L329 WeakPolarHBondContact O-CB 3.47Å; H326-L329 PolarHBondContact O-N 2.63Å
327C91.3Very high95.5Very high51 Ų5114.6 Ų14.635%0.3459%0.086SC..THydrogen-bonded Turntrans-60.2-24.2-171.6-50.10000113.1D47 D323 M325D47-C327 PolarHBondContact OD2-N 3.13Å; D323-C327 PolarHBondContact O-SG 3.08Å; D323-C327 WeakPolarHBondContact OD1-CB 3.4Å; M325-C327 PolarHBondContact O-N 2.74Å
328S92.2Very high95.6Very high34 Ų3414.6 Ų14.624%0.2389%0.086CC..THydrogen-bonded Turntrans-77.4-21.7176.775.30000112.8M1 D47 H326M1-S328 WeakPolarHBondContact CE-O 3.45Å; D47-S328 WeakPolarHBondContact OD1-CB 3.26Å; D47-S328 PolarHBondContact OD1-OG 3.05Å; D47-S328 VanDerWaalsContact OD2-CB 3.26Å; D47-S328 WeakPolarHBondContact OD2-CB 3.49Å; D47-S328 PolarHBondContact OD2-N 3.08Å; D47-S328 PolarHBondContact OD2-OG 3.2Å; H326-S328 PolarHBondContact O-N 2.63Å; H326-S328 VanDerWaalsContact O-N 3.08Å
329L95.4Very high95.6Very high7 Ų714.6 Ų14.64%0.0379%0.087CC..  trans-77.4131.2-173.3-56.8-168.1000112.4L43 W320 H326 Q333 L337L43-L329 HydrophobicContact CB-CD1 4.22Å; L43-L329 HydrophobicContact CB-CD2 4.36Å; L43-L329 HydrophobicContact CD2-CD2 3.97Å; W320-L329 PolarHBondContact NE1-O 3.31Å; H326-L329 HydrophobicContact CB-CB 4.37Å; H326-L329 HydrophobicContact CB-CD1 3.81Å; H326-L329 HydrophobicContact CB-CG 3.93Å; H326-L329 WeakPolarHBondContact O-CB 3.47Å; H326-L329 PolarHBondContact O-N 2.63Å; L329-Q333 HydrophobicContact CB-CB 4.21Å; L329-Q333 HydrophobicContact CD2-CB 4.39Å; L329-L337 HydrophobicContact CD1-CD2 3.79Å
330T95.5Very high95.7Very high56 Ų5614.6 Ų14.634%0.3449%0.087SC..  trans-70.9162.9167.663.20000111.5I332 Q333 M334T330-I332 VanDerWaalsContact C-N 3.31Å; T330-I332 PolarHBondContact O-N 3.42Å; T330-Q333 PolarHBondContact O-N 2.97Å; T330-Q333 VanDerWaalsContact OG1-CD 3.25Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.17Å; T330-Q333 PolarHBondContact OG1-OE1 3.46Å; T330-M334 WeakPolarHBondContact O-CB 3.4Å; T330-M334 PolarHBondContact O-N 3.12Å
331P96.6Very high95.8Very high20 Ų2014.6 Ų14.613%0.139%0.087CC..Hα-helixtrans-56.1-38.5178-29.938.9000114.5W320 M334 L335 E420 L421 L424W320-P331 HydrophobicContact CH2-CB 4.08Å; W320-P331 HydrophobicContact CH2-CG 3.93Å; W320-P331 HydrophobicContact CZ2-CB 4.35Å; W320-P331 HydrophobicContact CZ2-CG 3.98Å; P331-M334 PolarHBondContact O-N 2.89Å; P331-L335 WeakPolarHBondContact O-CB 3.34Å; P331-L335 PolarHBondContact O-N 2.71Å; P331-E420 HydrophobicContact CB-CB 4.43Å; P331-E420 HydrophobicContact CB-CG 3.96Å; P331-E420 HydrophobicContact CG-CB 4.42Å; P331-E420 HydrophobicContact CG-CG 4.07Å; P331-L421 WeakPolarHBondContact O-CD1 3.42Å; P331-L424 HydrophobicContact CB-CD1 3.74Å
332I97.6Very high95.9Very high33 Ų3314.4 Ų14.417%0.1699%0.085CC..Hα-helixtrans-69.8-38178-166.7170.8000112.6V4 K6 V9 T330 L335 Y336 L424 F428V4-I332 HydrophobicContact CG1-CG1 4.45Å; K6-I332 HydrophobicContact CG-CD1 4.08Å; V9-I332 HydrophobicContact CG2-CD1 4.24Å; V9-I332 HydrophobicContact CG2-CG1 3.78Å; T330-I332 VanDerWaalsContact C-N 3.31Å; T330-I332 PolarHBondContact O-N 3.42Å; I332-L335 WeakPolarHBondContact O-CB 3.3Å; I332-L335 PolarHBondContact O-N 3.21Å; I332-Y336 PolarHBondContact O-N 2.95Å; I332-L424 HydrophobicContact CB-CD1 4.27Å; I332-F428 HydrophobicContact CD1-CZ 4.39Å
333Q97.4Very high96.2Very high4 Ų414.1 Ų14.12%0.0198%0.084CC..Hα-helixtrans-65.8-41.5173.6-73.4164.5-35.400111.1M1 L2 V4 L43 L329 T330 L335 Y336 L337M1-Q333 VanDerWaalsContact CG-NE2 3.28Å; L2-Q333 PolarHBondContact O-NE2 2.94Å; V4-Q333 HydrophobicContact CB-CG 3.96Å; V4-Q333 HydrophobicContact CG2-CG 3.85Å; L43-Q333 HydrophobicContact CD1-CB 4.37Å; L43-Q333 WeakPolarHBondContact CD1-O 3.49Å; L43-Q333 HydrophobicContact CD2-CB 3.91Å; L43-Q333 HydrophobicContact CD2-CG 3.83Å; L329-Q333 HydrophobicContact CB-CB 4.21Å; L329-Q333 HydrophobicContact CD2-CB 4.39Å; T330-Q333 PolarHBondContact O-N 2.97Å; T330-Q333 VanDerWaalsContact OG1-CD 3.25Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.17Å; T330-Q333 PolarHBondContact OG1-OE1 3.46Å; Q333-L335 VanDerWaalsContact C-N 3.33Å; Q333-L335 PolarHBondContact O-N 3.45Å; Q333-Y336 PolarHBondContact O-N 2.61Å; Q333-L337 WeakPolarHBondContact O-CB 3.34Å; Q333-L337 PolarHBondContact O-N 2.85Å
334M97.8Very high96.5Very high0 Ų012.3 Ų12.30%07%0.074CC..Hα-helixtrans-64.5-38.1176-172.159.9-175.400111.9R316 C317 W320 T330 P331 L337 T338 L421R316-M334 HydrophobicContact CB-CE 4.04Å; R316-M334 HydrophobicContact CG-CE 3.51Å; C317-M334 HydrophobicContact CB-CE 4.32Å; W320-M334 HydrophobicContact CB-CE 3.92Å; W320-M334 HydrophobicContact CB-SD 4.22Å; W320-M334 HydrophobicContact CD2-CB 4.25Å; W320-M334 HydrophobicContact CD2-CG 3.73Å; W320-M334 HydrophobicContact CD2-SD 4.32Å; W320-M334 HydrophobicContact CE3-CG 3.91Å; W320-M334 HydrophobicContact CG-CE 4.25Å; W320-M334 HydrophobicContact CG-CG 4.08Å; W320-M334 HydrophobicContact CG-SD 4.02Å; W320-M334 HydrophobicContact CH2-CB 4.47Å; W320-M334 HydrophobicContact CZ2-CB 4.13Å; W320-M334 HydrophobicContact CZ2-CG 4.43Å; W320-M334 HydrophobicContact CZ3-CG 4.32Å; T330-M334 WeakPolarHBondContact O-CB 3.4Å; T330-M334 PolarHBondContact O-N 3.12Å; P331-M334 PolarHBondContact O-N 2.89Å; M334-L337 PolarHBondContact O-N 3.02Å; M334-L337 HydrophobicContact SD-CD2 4.42Å; M334-T338 HydrophobicContact CE-CG2 3.68Å; M334-T338 WeakPolarHBondContact O-CB 3.3Å; M334-T338 WeakPolarHBondContact O-CG2 3.4Å; M334-T338 PolarHBondContact O-N 3.41Å; M334-T338 PolarHBondContact O-OG1 3.01Å; M334-T338 HydrophobicContact SD-CG2 4.32Å; M334-L421 HydrophobicContact CB-CD1 4.39Å; M334-L421 HydrophobicContact CG-CD1 4.43Å; M334-L421 HydrophobicContact CG-CD2 4.24Å
335L98.5Very high96.7Very high0 Ų010.9 Ų10.90%07%0.066CC..Hα-helixtrans-60.9-48.7172.6-17858.1000111.5V9 P331 I332 Q333 L337 T338 L339 F365 L421 L424 F425 F428V9-L335 HydrophobicContact CG1-CD2 3.89Å; V9-L335 HydrophobicContact CG1-CG 4.25Å; P331-L335 WeakPolarHBondContact O-CB 3.34Å; P331-L335 PolarHBondContact O-N 2.71Å; I332-L335 WeakPolarHBondContact O-CB 3.3Å; I332-L335 PolarHBondContact O-N 3.21Å; Q333-L335 VanDerWaalsContact C-N 3.33Å; Q333-L335 PolarHBondContact O-N 3.45Å; L335-L337 PolarHBondContact O-N 2.83Å; L335-T338 PolarHBondContact O-N 3.26Å; L335-T338 PolarHBondContact O-OG1 3.48Å; L335-T338 VanDerWaalsContact O-OG1 3.07Å; L335-L339 HydrophobicContact CD1-CD1 3.74Å; L335-L339 HydrophobicContact CD1-CG 3.98Å; L335-L339 HydrophobicContact CG-CD1 3.91Å; L335-L339 HydrophobicContact CG-CG 4.48Å; L335-L339 WeakPolarHBondContact O-CB 3.32Å; L335-L339 WeakPolarHBondContact O-CG 3.09Å; L335-L339 PolarHBondContact O-N 3.41Å; L335-F365 HydrophobicContact CD1-CD1 4.15Å; L335-F365 HydrophobicContact CD1-CE1 3.39Å; L335-F365 HydrophobicContact CD1-CZ 3.75Å; L335-L421 HydrophobicContact CB-CD1 3.7Å; L335-L421 HydrophobicContact CD1-CD1 4.2Å; L335-L424 HydrophobicContact CD2-CB 3.79Å; L335-F425 HydrophobicContact CD1-CB 3.86Å; L335-F425 HydrophobicContact CD1-CD2 4.21Å; L335-F428 HydrophobicContact CD2-CD2 3.73Å; L335-F428 HydrophobicContact CD2-CE2 3.88Å
336Y98.5Very high96.9Very high3 Ų310.1 Ų10.11%0.0126%0.063CC..Hα-helixtrans-61.3-46.2177.6-168-76.9000111.8V4 D8 V9 L12 I36 I39 L43 I332 Q333 T338 G340V4-Y336 HydrophobicContact CG1-CD2 3.79Å; V4-Y336 HydrophobicContact CG1-CG 3.97Å; D8-Y336 HydrophobicContact CB-CD2 4.17Å; D8-Y336 HydrophobicContact CB-CE2 3.83Å; D8-Y336 WeakPolarHBondContact O-CE2 3.5Å; V9-Y336 HydrophobicContact CG2-CD2 4.11Å; L12-Y336 HydrophobicContact CB-CE2 4.07Å; L12-Y336 HydrophobicContact CD2-CD1 4.38Å; L12-Y336 HydrophobicContact CD2-CD2 3.99Å; L12-Y336 HydrophobicContact CD2-CE1 4.28Å; L12-Y336 HydrophobicContact CD2-CE2 3.89Å; L12-Y336 HydrophobicContact CD2-CG 4.23Å; I36-Y336 WeakPolarHBondContact CA-OH 3.43Å; I36-Y336 HydrophobicContact CG2-CE1 4.43Å; I39-Y336 HydrophobicContact CB-CD1 4.36Å; I39-Y336 HydrophobicContact CB-CE1 3.64Å; I39-Y336 HydrophobicContact CD1-CE1 4.35Å; I39-Y336 WeakPolarHBondContact CD1-OH 3.47Å; I39-Y336 HydrophobicContact CG2-CD1 3.49Å; I39-Y336 VanDerWaalsContact CG2-CD1 3.49Å; I39-Y336 HydrophobicContact CG2-CE1 3.24Å; I39-Y336 HydrophobicContact CG2-CG 4.27Å; L43-Y336 HydrophobicContact CD1-CD1 4.19Å; I332-Y336 PolarHBondContact O-N 2.95Å; Q333-Y336 PolarHBondContact O-N 2.61Å; Y336-T338 PolarHBondContact O-N 3.3Å; Y336-G340 WeakPolarHBondContact O-CA 3.46Å; Y336-G340 PolarHBondContact O-N 3.42Å
337L97.9Very high97.1Very high0 Ų010.1 Ų10.10%06%0.062CC..Hα-helixtrans-59.9-45.7179.5177.260.3000111.7C40 L43 T44 L329 Q333 M334 L335 Y341C40-L337 HydrophobicContact CB-CD1 4.27Å; L43-L337 HydrophobicContact CB-CD1 4.45Å; L43-L337 HydrophobicContact CD1-CB 4.1Å; T44-L337 WeakPolarHBondContact OG1-CD1 3.34Å; L329-L337 HydrophobicContact CD1-CD2 3.79Å; Q333-L337 WeakPolarHBondContact O-CB 3.34Å; Q333-L337 PolarHBondContact O-N 2.85Å; M334-L337 PolarHBondContact O-N 3.02Å; M334-L337 HydrophobicContact SD-CD2 4.42Å; L335-L337 PolarHBondContact O-N 2.83Å; L337-Y341 WeakPolarHBondContact O-CA 3.36Å; L337-Y341 WeakPolarHBondContact O-CB 3.43Å; L337-Y341 PolarHBondContact O-N 3.4Å
338T98.3Very high97.4Very high0 Ų07.9 Ų7.90%05%0.047CC..Iπ-helixtrans-70.3-46.6-178.850.50000111.6M334 L335 Y336 D342 W343M334-T338 HydrophobicContact CE-CG2 3.68Å; M334-T338 WeakPolarHBondContact O-CB 3.3Å; M334-T338 WeakPolarHBondContact O-CG2 3.4Å; M334-T338 PolarHBondContact O-N 3.41Å; M334-T338 PolarHBondContact O-OG1 3.01Å; M334-T338 HydrophobicContact SD-CG2 4.32Å; L335-T338 PolarHBondContact O-N 3.26Å; L335-T338 PolarHBondContact O-OG1 3.48Å; L335-T338 VanDerWaalsContact O-OG1 3.07Å; Y336-T338 PolarHBondContact O-N 3.3Å; T338-D342 WeakPolarHBondContact O-CB 3.37Å; T338-D342 PolarHBondContact O-N 3.39Å; T338-D342 VanDerWaalsContact O-N 3.14Å; T338-W343 VanDerWaalsContact O-CD1 3.28Å; T338-W343 PolarHBondContact O-N 3Å
339L98.6Very high97.6Very high1 Ų17.3 Ų7.31%0.0054%0.04CC..Iπ-helixtrans-61.5-48.6175.9-71.3176.6000112.2V9 L12 M16 L335 W343 F344 L361 F365 F425V9-L339 HydrophobicContact CG1-CD1 4.25Å; L12-L339 HydrophobicContact CD2-CB 3.83Å; M16-L339 HydrophobicContact CE-CD2 4.4Å; M16-L339 HydrophobicContact SD-CB 4.12Å; L335-L339 HydrophobicContact CD1-CD1 3.74Å; L335-L339 HydrophobicContact CD1-CG 3.98Å; L335-L339 HydrophobicContact CG-CD1 3.91Å; L335-L339 HydrophobicContact CG-CG 4.48Å; L335-L339 WeakPolarHBondContact O-CB 3.32Å; L335-L339 WeakPolarHBondContact O-CG 3.09Å; L335-L339 PolarHBondContact O-N 3.41Å; L339-W343 WeakPolarHBondContact O-CB 3.44Å; L339-F344 WeakPolarHBondContact O-CB 3.38Å; L339-F344 PolarHBondContact O-N 3.28Å; L339-L361 HydrophobicContact CD2-CD1 4.09Å; L339-L361 HydrophobicContact CD2-CD2 4.27Å; L339-F365 HydrophobicContact CD2-CE2 3.65Å; L339-F365 HydrophobicContact CD2-CZ 3.89Å; L339-F365 HydrophobicContact CG-CE2 4.4Å; L339-F365 HydrophobicContact CG-CZ 4.13Å; L339-F425 HydrophobicContact CD2-CD2 4.23Å; L339-F425 HydrophobicContact CD2-CE2 4.13Å
340G98.3Very high97.7Very high0 Ų07.2 Ų7.20%04%0.04CC..Iπ-helixtrans-73.9-54-174.200000111.8Y336 F344 L345Y336-G340 WeakPolarHBondContact O-CA 3.46Å; Y336-G340 PolarHBondContact O-N 3.42Å; G340-F344 PolarHBondContact O-N 3.45Å; G340-L345 WeakPolarHBondContact O-CB 3.28Å; G340-L345 VanDerWaalsContact O-CG 3.26Å; G340-L345 WeakPolarHBondContact O-CG 3.06Å; G340-L345 PolarHBondContact O-N 2.75Å
341Y97.7Very high97.7Very high0 Ų08.1 Ų8.10%04%0.039CC..Iπ-helixtrans-83-64.2-174.9-157.2-113.1000111C40 P65 A69 L337 W343 L345 F346C40-Y341 HydrophobicContact CB-CD2 3.95Å; C40-Y341 HydrophobicContact CB-CG 4.35Å; P65-Y341 HydrophobicContact CG-CD2 4.48Å; P65-Y341 HydrophobicContact CG-CE2 3.97Å; A69-Y341 PolarHBondContact N-OH 2.84Å; A69-Y341 VanDerWaalsContact N-OH 3.12Å; L337-Y341 WeakPolarHBondContact O-CA 3.36Å; L337-Y341 WeakPolarHBondContact O-CB 3.43Å; L337-Y341 PolarHBondContact O-N 3.4Å; Y341-W343 VanDerWaalsContact C-N 3.28Å; Y341-W343 PolarHBondContact O-N 2.83Å; Y341-L345 HydrophobicContact CD2-CD1 4.27Å; Y341-F346 HydrophobicContact CD1-CE2 4.03Å; Y341-F346 HydrophobicContact CD2-CE2 4.5Å; Y341-F346 AromaticContact CE1-CE2 3.65Å; Y341-F346 HydrophobicContact CE1-CE2 3.65Å; Y341-F346 HydrophobicContact CE1-CZ 4.45Å; Y341-F346 HydrophobicContact CE2-CE2 4.14Å; Y341-F346 HydrophobicContact CG-CE2 4.45Å; Y341-F346 AromaticContact CZ-CE2 3.7Å; Y341-F346 VanDerWaalsContact O-CD2 3.23Å; Y341-F346 WeakPolarHBondContact O-CD2 3.27Å
342D98.3Very high97.7Very high0 Ų09.7 Ų9.70%05%0.048CC..Iπ-helixtrans-62.7-35.7-169.7-65.5-25.8000112.3R113 P309 I312 R316 T338R113-D342 PolarHBondContact NH1-O 2.86Å; R113-D342 PolarHBondContact NH2-O 3.45Å; P309-D342 VanDerWaalsContact CB-O 3.27Å; P309-D342 WeakPolarHBondContact CB-O 3.43Å; I312-D342 HydrophobicContact CG2-CB 4.17Å; I312-D342 WeakPolarHBondContact CG2-OD1 3.28Å; R316-D342 WeakPolarHBondContact CD-OD2 3.07Å; R316-D342 IonicContact CZ-OD1 3.63Å; R316-D342 IonicContact CZ-OD2 3.96Å; R316-D342 IonicContact NE-OD1 3.55Å; R316-D342 PolarHBondContact NE-OD1 2.83Å; R316-D342 IonicContact NE-OD2 3.86Å; R316-D342 PolarHBondContact NE-OD2 3.29Å; R316-D342 IonicContact NH2-OD1 3.4Å; R316-D342 PolarHBondContact NH2-OD1 3.18Å; R316-D342 IonicContact NH2-OD2 2.75Å; T338-D342 WeakPolarHBondContact O-CB 3.37Å; T338-D342 PolarHBondContact O-N 3.39Å; T338-D342 VanDerWaalsContact O-N 3.14Å
343W98.6Very high97.7Very high0 Ų09.5 Ų9.50%05%0.045CC..Iπ-helixtrans-99.7-67-178.2-68.892.1000114.2M16 P309 L310 T338 L339 Y341 H348 I360 L361 T364M16-W343 HydrophobicContact CE-CB 4.1Å; P309-W343 HydrophobicContact CB-CD2 3.8Å; P309-W343 HydrophobicContact CB-CE3 3.85Å; P309-W343 HydrophobicContact CB-CG 4.32Å; P309-W343 HydrophobicContact CB-CH2 4.36Å; P309-W343 HydrophobicContact CB-CZ2 4.29Å; P309-W343 HydrophobicContact CB-CZ3 4.15Å; P309-W343 HydrophobicContact CG-CD2 4.29Å; P309-W343 HydrophobicContact CG-CE3 3.81Å; P309-W343 HydrophobicContact CG-CH2 4.25Å; P309-W343 HydrophobicContact CG-CZ3 3.8Å; L310-W343 HydrophobicContact CB-CH2 4.16Å; L310-W343 HydrophobicContact CB-CZ2 4.27Å; T338-W343 VanDerWaalsContact O-CD1 3.28Å; T338-W343 PolarHBondContact O-N 3Å; L339-W343 WeakPolarHBondContact O-CB 3.44Å; Y341-W343 VanDerWaalsContact C-N 3.28Å; Y341-W343 PolarHBondContact O-N 2.83Å; W343-H348 HydrophobicContact CB-CB 4.36Å; W343-H348 HydrophobicContact CE3-CB 3.86Å; W343-H348 AromaticContact CE3-CD2 3.53Å; W343-H348 AromaticContact CE3-CE1 3.97Å; W343-H348 AromaticContact CE3-CG 3.42Å; W343-H348 VanDerWaalsContact CE3-CG 3.42Å; W343-H348 AromaticContact CE3-ND1 3.7Å; W343-H348 AromaticContact CE3-NE2 3.89Å; W343-H348 AromaticContact CZ3-CD2 3.97Å; W343-H348 AromaticContact CZ3-CE1 3.63Å; W343-H348 AromaticContact CZ3-CG 3.88Å; W343-H348 AromaticContact CZ3-ND1 3.65Å; W343-H348 AromaticContact CZ3-NE2 3.83Å; W343-H348 WeakPolarHBondContact O-CB 3.22Å; W343-H348 PolarHBondContact O-N 3.36Å; W343-I360 HydrophobicContact CH2-CG1 4.33Å; W343-I360 HydrophobicContact CH2-CG2 4.34Å; W343-I360 HydrophobicContact CZ3-CG2 4.1Å; W343-L361 HydrophobicContact CB-CD1 4.31Å; W343-L361 HydrophobicContact CD2-CD1 3.37Å; W343-L361 VanDerWaalsContact CE2-CD1 3.49Å; W343-L361 HydrophobicContact CE3-CB 4.41Å; W343-L361 HydrophobicContact CE3-CD1 3.82Å; W343-L361 HydrophobicContact CG-CD1 3.57Å; W343-L361 HydrophobicContact CH2-CD1 4.44Å; W343-L361 HydrophobicContact CZ2-CD1 4.06Å; W343-L361 HydrophobicContact CZ3-CB 4.31Å; W343-L361 HydrophobicContact CZ3-CD1 4.32Å; W343-T364 WeakPolarHBondContact CH2-OG1 3.31Å; W343-T364 HydrophobicContact CZ2-CG2 3.94Å; W343-T364 WeakPolarHBondContact CZ2-OG1 3.14Å
344F98.4Very high97.6Very high3 Ų311.9 Ų11.91%0.0136%0.057CC..Iπ-helixtrans-68.5-60.9-166.2179-120.8000113.6L12 F15 M16 F21 L25 I33 I36 L339 G340 F346 G347L12-F344 HydrophobicContact CD1-CD1 3.99Å; L12-F344 HydrophobicContact CD1-CG 4.41Å; F15-F344 AromaticContact CD1-CE1 3.83Å; F15-F344 HydrophobicContact CD1-CE1 3.83Å; F15-F344 HydrophobicContact CD1-CE2 4.33Å; F15-F344 AromaticContact CD1-CZ 3.43Å; F15-F344 HydrophobicContact CD1-CZ 3.43Å; F15-F344 VanDerWaalsContact CD1-CZ 3.43Å; F15-F344 HydrophobicContact CE1-CE1 4.02Å; F15-F344 AromaticContact CE1-CZ 3.54Å; F15-F344 HydrophobicContact CE1-CZ 3.54Å; M16-F344 HydrophobicContact CB-CD2 4.27Å; M16-F344 HydrophobicContact CE-CB 3.94Å; M16-F344 HydrophobicContact CG-CB 3.76Å; M16-F344 HydrophobicContact CG-CD1 4.46Å; M16-F344 HydrophobicContact CG-CD2 3.5Å; M16-F344 HydrophobicContact CG-CE2 4.18Å; M16-F344 HydrophobicContact CG-CG 3.66Å; M16-F344 HydrophobicContact SD-CB 3.9Å; M16-F344 HydrophobicContact SD-CG 4.44Å; F21-F344 HydrophobicContact CB-CD2 3.94Å; F21-F344 HydrophobicContact CB-CE2 3.69Å; F21-F344 HydrophobicContact CB-CZ 4.03Å; F21-F344 VanDerWaalsContact CB-O 3.22Å; F21-F344 WeakPolarHBondContact CB-O 3.4Å; F21-F344 HydrophobicContact CD2-CZ 4.37Å; L25-F344 HydrophobicContact CD2-CE2 4.32Å; L25-F344 HydrophobicContact CD2-CZ 4.03Å; I33-F344 HydrophobicContact CD1-CE1 3.58Å; I33-F344 HydrophobicContact CD1-CZ 3.75Å; I36-F344 HydrophobicContact CD1-CD1 4.34Å; I36-F344 HydrophobicContact CD1-CE1 3.85Å; I36-F344 HydrophobicContact CG2-CD1 4.39Å; L339-F344 WeakPolarHBondContact O-CB 3.38Å; L339-F344 PolarHBondContact O-N 3.28Å; G340-F344 PolarHBondContact O-N 3.45Å; F344-F346 PolarHBondContact O-N 2.85Å; F344-G347 WeakPolarHBondContact O-CA 3.49Å; F344-G347 PolarHBondContact O-N 3.28Å
345L97.8Very high97.4Very high0 Ų018.1 Ų18.10%09%0.086CC..Iπ-helixtrans-67.2-19.9-174.3-67.5170.5000112.9F21 I33 I36 N37 C40 Y64 P65 G340 Y341 G347F21-L345 VanDerWaalsContact CD1-O 3.22Å; F21-L345 WeakPolarHBondContact CD1-O 3.21Å; F21-L345 WeakPolarHBondContact CE1-O 3.48Å; F21-L345 HydrophobicContact CE2-CD2 4.46Å; I33-L345 HydrophobicContact CG2-CD2 4.1Å; I36-L345 HydrophobicContact CG2-CD1 4.09Å; I36-L345 HydrophobicContact CG2-CD2 4.4Å; I36-L345 HydrophobicContact CG2-CG 4.24Å; N37-L345 HydrophobicContact CB-CD1 3.85Å; N37-L345 HydrophobicContact CB-CD2 4.43Å; C40-L345 HydrophobicContact CB-CD1 4.48Å; Y64-L345 CarbonylContact C-O 3.51Å; Y64-L345 VanDerWaalsContact C-O 3.29Å; P65-L345 HydrophobicContact CB-CB 4.03Å; P65-L345 VanDerWaalsContact CD-O 3.25Å; P65-L345 WeakPolarHBondContact CD-O 3.47Å; P65-L345 HydrophobicContact CG-CB 3.76Å; P65-L345 VanDerWaalsContact N-O 3.12Å; G340-L345 WeakPolarHBondContact O-CB 3.28Å; G340-L345 VanDerWaalsContact O-CG 3.26Å; G340-L345 WeakPolarHBondContact O-CG 3.06Å; G340-L345 PolarHBondContact O-N 2.75Å; Y341-L345 HydrophobicContact CD2-CD1 4.27Å; L345-G347 VanDerWaalsContact C-N 3.28Å
346F97.8Very high97.3Very high0 Ų022 Ų220%011%0.107CC..THydrogen-bonded Turntrans-89.816168.4-82.1-73.5000113.8H63 Y64 P65 R98 V101 R113 Y341 F344H63-F346 CarbonylContact O-C 3.45Å; H63-F346 WeakPolarHBondContact O-CA 3.4Å; Y64-F346 AromaticContact CD1-CD1 3.43Å; Y64-F346 HydrophobicContact CD1-CD1 3.43Å; Y64-F346 VanDerWaalsContact CD1-CD1 3.43Å; Y64-F346 AromaticContact CD1-CE1 3.78Å; Y64-F346 HydrophobicContact CD1-CE1 3.78Å; Y64-F346 HydrophobicContact CD2-CE1 4.33Å; Y64-F346 AromaticContact CE1-CD1 3.66Å; Y64-F346 HydrophobicContact CE1-CD1 3.66Å; Y64-F346 HydrophobicContact CE1-CE1 4.01Å; Y64-F346 HydrophobicContact CG-CD1 4.04Å; Y64-F346 AromaticContact CG-CE1 3.94Å; Y64-F346 HydrophobicContact CG-CE1 3.94Å; P65-F346 HydrophobicContact CG-CD2 4.18Å; P65-F346 HydrophobicContact CG-CE1 4.29Å; P65-F346 HydrophobicContact CG-CE2 3.91Å; P65-F346 HydrophobicContact CG-CG 4.48Å; P65-F346 HydrophobicContact CG-CZ 3.97Å; R98-F346 VanDerWaalsContact CZ-O 3.22Å; R98-F346 PolarHBondContact NH1-O 2.93Å; R98-F346 PolarHBondContact NH2-O 3.42Å; V101-F346 HydrophobicContact CG1-CE1 3.7Å; V101-F346 HydrophobicContact CG1-CZ 4.15Å; R113-F346 HydrophobicContact CG-CE1 4.39Å; R113-F346 VanDerWaalsContact NH1-CB 3.31Å; R113-F346 VanDerWaalsContact NH2-CB 3.27Å; Y341-F346 HydrophobicContact CD1-CE2 4.03Å; Y341-F346 HydrophobicContact CD2-CE2 4.5Å; Y341-F346 AromaticContact CE1-CE2 3.65Å; Y341-F346 HydrophobicContact CE1-CE2 3.65Å; Y341-F346 HydrophobicContact CE1-CZ 4.45Å; Y341-F346 HydrophobicContact CE2-CE2 4.14Å; Y341-F346 HydrophobicContact CG-CE2 4.45Å; Y341-F346 AromaticContact CZ-CE2 3.7Å; Y341-F346 VanDerWaalsContact O-CD2 3.23Å; Y341-F346 WeakPolarHBondContact O-CD2 3.27Å; F344-F346 PolarHBondContact O-N 2.85Å
347G96.9Very high97.2Very high0 Ų022 Ų220%011%0.107CC..THydrogen-bonded Turntrans7928.8163.600000115.4H63 F344 L345 K349H63-G347 PolarHBondContact O-N 3.49Å; F344-G347 WeakPolarHBondContact O-CA 3.49Å; F344-G347 PolarHBondContact O-N 3.28Å; L345-G347 VanDerWaalsContact C-N 3.28Å; G347-K349 WeakPolarHBondContact O-CE 3.29Å
348H97.8Very high97.1Very high4 Ų422.8 Ų22.82%0.01911%0.111CC..  trans-56.7141165.6-178.959.8000110.4W305 D306 W343 L350W305-H348 PolarHBondContact O-ND1 3.35Å; D306-H348 IonicContact OD1-CE1 2.81Å; D306-H348 IonicContact OD1-ND1 3.41Å; W343-H348 HydrophobicContact CB-CB 4.36Å; W343-H348 HydrophobicContact CE3-CB 3.86Å; W343-H348 AromaticContact CE3-CD2 3.53Å; W343-H348 AromaticContact CE3-CE1 3.97Å; W343-H348 AromaticContact CE3-CG 3.42Å; W343-H348 VanDerWaalsContact CE3-CG 3.42Å; W343-H348 AromaticContact CE3-ND1 3.7Å; W343-H348 AromaticContact CE3-NE2 3.89Å; W343-H348 AromaticContact CZ3-CD2 3.97Å; W343-H348 AromaticContact CZ3-CE1 3.63Å; W343-H348 AromaticContact CZ3-CG 3.88Å; W343-H348 AromaticContact CZ3-ND1 3.65Å; W343-H348 AromaticContact CZ3-NE2 3.83Å; W343-H348 WeakPolarHBondContact O-CB 3.22Å; W343-H348 PolarHBondContact O-N 3.36Å; H348-L350 PolarHBondContact O-N 3.2Å
349K96.2Very high97.1Very high22 Ų2223.6 Ų23.610%0.09612%0.115CC..  trans-96.951.1-172.6-57.5-56-177.8-176.10112D20 F21 W305 G347 K351 T352 R353D20-K349 HydrophobicContact CB-CD 3.66Å; D20-K349 VanDerWaalsContact CG-CA 3.47Å; D20-K349 WeakPolarHBondContact OD1-CA 3.22Å; F21-K349 PolarHBondContact O-NZ 2.91Å; W305-K349 HydrophobicContact CD2-CG 4.17Å; W305-K349 HydrophobicContact CG-CG 4.5Å; W305-K349 HydrophobicContact CZ2-CG 4.33Å; G347-K349 WeakPolarHBondContact O-CE 3.29Å; K349-K351 VanDerWaalsContact C-N 3.32Å; K349-K351 PolarHBondContact O-N 3.49Å; K349-T352 PolarHBondContact O-N 3.04Å; K349-R353 WeakPolarHBondContact O-CB 3.34Å; K349-R353 WeakPolarHBondContact O-CG 3.28Å; K349-R353 PolarHBondContact O-N 3.43Å
350L97.5Very high97.1Very high5 Ų523.6 Ų23.63%0.02612%0.115CC..Hα-helixtrans-53.9-46.4-170.6-176.460.8000112.4M16 L17 D20 H348 T352 R353 M354 L361 W429M16-L350 HydrophobicContact CB-CD2 3.72Å; M16-L350 HydrophobicContact CE-CD2 4.22Å; L17-L350 HydrophobicContact CD2-CD2 3.77Å; L17-L350 HydrophobicContact CD2-CG 4.08Å; L17-L350 HydrophobicContact CG-CD2 3.98Å; D20-L350 PolarHBondContact OD1-N 3.23Å; H348-L350 PolarHBondContact O-N 3.2Å; L350-T352 PolarHBondContact O-N 3.47Å; L350-R353 PolarHBondContact O-N 3.19Å; L350-M354 HydrophobicContact CD1-CG 4.08Å; L350-M354 HydrophobicContact CD1-SD 4.49Å; L350-M354 HydrophobicContact CG-CG 4.27Å; L350-M354 WeakPolarHBondContact O-CB 3.3Å; L350-M354 VanDerWaalsContact O-CG 3.26Å; L350-M354 WeakPolarHBondContact O-CG 3.41Å; L350-M354 PolarHBondContact O-N 3.29Å; L350-L361 HydrophobicContact CD1-CB 4.06Å; L350-L361 HydrophobicContact CD1-CD2 3.69Å; L350-L361 HydrophobicContact CD2-CD2 3.73Å; L350-L361 HydrophobicContact CG-CD2 4.3Å; L350-W429 HydrophobicContact CD1-CH2 4.22Å; L350-W429 HydrophobicContact CD1-CZ3 4.42Å; L350-W429 HydrophobicContact CD2-CZ3 4.32Å
351K96.2Very high97.1Very high76 Ų7623.6 Ų23.633%0.3312%0.115SC..Hα-helixtrans-59.2-51.3179.4179-174.6-171.7-73.10111D18 D20 K349 R353 M354 E355D18-K351 VanDerWaalsContact O-CD 3.28Å; D18-K351 WeakPolarHBondContact O-CD 3.49Å; D18-K351 WeakPolarHBondContact O-CE 3.46Å; D20-K351 WeakPolarHBondContact OD1-CB 3.3Å; D20-K351 PolarHBondContact OD1-N 3.2Å; K349-K351 VanDerWaalsContact C-N 3.32Å; K349-K351 PolarHBondContact O-N 3.49Å; K351-R353 VanDerWaalsContact C-N 3.28Å; K351-R353 PolarHBondContact O-N 2.98Å; K351-M354 PolarHBondContact O-N 2.78Å; K351-E355 IonicContact NZ-OE1 3.44Å; K351-E355 PolarHBondContact NZ-OE1 3.01Å; K351-E355 WeakPolarHBondContact O-CG 3.5Å; K351-E355 PolarHBondContact O-N 2.66Å
352T95.1Very high97.1Very high53 Ų5325 Ų2533%0.32512%0.12SC..Hα-helixtrans-60.5-39.3177.7-59.90000111.5D20 K349 L350 E355 L356D20-T352 WeakPolarHBondContact OD2-CB 3.27Å; D20-T352 PolarHBondContact OD2-N 3.05Å; D20-T352 PolarHBondContact OD2-OG1 3.35Å; K349-T352 PolarHBondContact O-N 3.04Å; L350-T352 PolarHBondContact O-N 3.47Å; T352-E355 PolarHBondContact O-N 3.23Å; T352-L356 HydrophobicContact CG2-CD1 4.25Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.44Å
353R97.2Very high97.1Very high29 Ų2925 Ų2511%0.10912%0.12CC..Hα-helixtrans-66.2-42.6179-68.9-68170.4-118.4-2.1111.6S222 D306 K349 L350 K351 L356 G357 E358S222-R353 VanDerWaalsContact OG-CZ 3.23Å; S222-R353 PolarHBondContact OG-NE 3.15Å; S222-R353 PolarHBondContact OG-NH1 3.15Å; D306-R353 IonicContact OD1-CZ 2.84Å; D306-R353 IonicContact OD1-NE 2.72Å; D306-R353 PolarHBondContact OD1-NE 3.45Å; D306-R353 IonicContact OD1-NH2 3.44Å; D306-R353 PolarHBondContact OD1-NH2 2.92Å; D306-R353 IonicContact OD2-CZ 3.99Å; D306-R353 IonicContact OD2-NE 3.06Å; D306-R353 IonicContact OD2-NH2 2.84Å; D306-R353 PolarHBondContact OD2-NH2 2.65Å; K349-R353 WeakPolarHBondContact O-CB 3.34Å; K349-R353 WeakPolarHBondContact O-CG 3.28Å; K349-R353 PolarHBondContact O-N 3.43Å; L350-R353 PolarHBondContact O-N 3.19Å; K351-R353 VanDerWaalsContact C-N 3.28Å; K351-R353 PolarHBondContact O-N 2.98Å; R353-L356 CarbonylContact O-C 3.28Å; R353-L356 PolarHBondContact O-N 3.37Å; R353-L356 VanDerWaalsContact O-N 3.17Å; R353-G357 PolarHBondContact O-N 3.44Å; R353-E358 HydrophobicContact CB-CB 4.27Å; R353-E358 WeakPolarHBondContact CB-O 3.28Å; R353-E358 WeakPolarHBondContact CD-OE2 3.3Å; R353-E358 IonicContact CZ-OE2 2.71Å; R353-E358 IonicContact NE-OE2 2.96Å; R353-E358 IonicContact NH1-OE2 3.3Å; R353-E358 PolarHBondContact NH1-OE2 3.01Å; R353-E358 PolarHBondContact O-N 3.41Å
354M95.8Very high97.1Very high53 Ų5325 Ų2526%0.26112%0.12SC..Hα-helixtrans-62.8-41.9175.6-70.5-59.9-66.700111.8L17 L350 K351 L356 G357 E359 W429 I433L17-M354 HydrophobicContact CD2-CG 3.92Å; L350-M354 HydrophobicContact CD1-CG 4.08Å; L350-M354 HydrophobicContact CD1-SD 4.49Å; L350-M354 HydrophobicContact CG-CG 4.27Å; L350-M354 WeakPolarHBondContact O-CB 3.3Å; L350-M354 VanDerWaalsContact O-CG 3.26Å; L350-M354 WeakPolarHBondContact O-CG 3.41Å; L350-M354 PolarHBondContact O-N 3.29Å; K351-M354 PolarHBondContact O-N 2.78Å; M354-L356 PolarHBondContact O-N 2.93Å; M354-G357 PolarHBondContact O-N 3.09Å; M354-G357 VanDerWaalsContact O-N 3.07Å; M354-E359 HydrophobicContact SD-CG 4.18Å; M354-W429 HydrophobicContact CE-CH2 4.18Å; M354-W429 HydrophobicContact CE-CZ2 3.87Å; M354-W429 HydrophobicContact SD-CH2 3.66Å; M354-W429 HydrophobicContact SD-CZ2 3.8Å; M354-I433 HydrophobicContact CE-CD1 3.9Å
355E94.8Very high97.1Very high131 Ų13124.9 Ų24.961%0.61212%0.119SC*.Hα-helixtrans-59.9-31174.7-70.9169.5-175.800112.7K351 T352K351-E355 IonicContact NZ-OE1 3.44Å; K351-E355 PolarHBondContact NZ-OE1 3.01Å; K351-E355 WeakPolarHBondContact O-CG 3.5Å; K351-E355 PolarHBondContact O-N 2.66Å; T352-E355 PolarHBondContact O-N 3.23Å
356L95.3Very high97.1Very high83 Ų8326.3 Ų26.344%0.43513%0.126SC..Hα-helixtrans-91.3-8.1177.2-64.5173.4000113.9R226 T352 R353 M354 E358R226-L356 WeakPolarHBondContact CD-O 3.47Å; T352-L356 HydrophobicContact CG2-CD1 4.25Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.44Å; R353-L356 CarbonylContact O-C 3.28Å; R353-L356 PolarHBondContact O-N 3.37Å; R353-L356 VanDerWaalsContact O-N 3.17Å; M354-L356 PolarHBondContact O-N 2.93Å; L356-E358 HydrophobicContact CB-CG 3.82Å
357G96.3Very high97.1Very high2 Ų226.3 Ų26.32%0.02113%0.126CC..THydrogen-bonded Turntrans73.921.1-173.800000115.1R226 R353 M354 E359R226-G357 WeakPolarHBondContact CA-O 3.31Å; R226-G357 WeakPolarHBondContact CB-O 3.18Å; R353-G357 PolarHBondContact O-N 3.44Å; M354-G357 PolarHBondContact O-N 3.09Å; M354-G357 VanDerWaalsContact O-N 3.07Å; G357-E359 PolarHBondContact O-N 3.41Å
358E97.1Very high97.2Very high16 Ų1626.3 Ų26.38%0.07513%0.126CC..  trans-94.377.3-174.2-65.1-179.3173.800111.7S222 E223 R353 L356 I360S222-E358 VanDerWaalsContact CB-OE2 3.26Å; S222-E358 WeakPolarHBondContact CB-OE2 3.44Å; S222-E358 WeakPolarHBondContact O-CB 3.39Å; S222-E358 WeakPolarHBondContact O-CG 3.15Å; S222-E358 PolarHBondContact OG-OE2 2.93Å; E223-E358 WeakPolarHBondContact CA-OE1 3.38Å; R353-E358 HydrophobicContact CB-CB 4.27Å; R353-E358 WeakPolarHBondContact CB-O 3.28Å; R353-E358 WeakPolarHBondContact CD-OE2 3.3Å; R353-E358 IonicContact CZ-OE2 2.71Å; R353-E358 IonicContact NE-OE2 2.96Å; R353-E358 IonicContact NH1-OE2 3.3Å; R353-E358 PolarHBondContact NH1-OE2 3.01Å; R353-E358 PolarHBondContact O-N 3.41Å; L356-E358 HydrophobicContact CB-CG 3.82Å; E358-I360 VanDerWaalsContact C-N 3.3Å; E358-I360 PolarHBondContact O-N 2.96Å
359E97Very high97.2Very high18 Ų1826.9 Ų26.98%0.08413%0.133CC..  trans-85.352-164.6-59.9-175.6-166.100115.3W228 R229 Y233 M354 G357 L361 R362 F363W228-E359 HydrophobicContact CZ3-CB 4.19Å; R229-E359 WeakPolarHBondContact CD-OE1 3.36Å; Y233-E359 WeakPolarHBondContact CE1-OE2 3.28Å; Y233-E359 PolarHBondContact OH-OE2 2.83Å; M354-E359 HydrophobicContact SD-CG 4.18Å; G357-E359 PolarHBondContact O-N 3.41Å; E359-L361 PolarHBondContact O-N 3.07Å; E359-R362 HydrophobicContact CB-CB 4.01Å; E359-R362 PolarHBondContact O-N 3.22Å; E359-R362 WeakPolarHBondContact OE2-CD 3.4Å; E359-R362 IonicContact OE2-NE 3.56Å; E359-F363 PolarHBondContact O-N 3.03Å
360I98.2Very high97.1Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-64.5-35.3-177.7-168.7173.3000113.9F225 D306 L310 W343 E358 F363 T364F225-I360 HydrophobicContact CB-CB 4.28Å; F225-I360 HydrophobicContact CD1-CB 4.29Å; F225-I360 HydrophobicContact CD1-CG1 4.28Å; F225-I360 HydrophobicContact CD2-CB 3.64Å; F225-I360 HydrophobicContact CD2-CD1 3.85Å; F225-I360 HydrophobicContact CD2-CG1 3.69Å; F225-I360 HydrophobicContact CE1-CG1 4.14Å; F225-I360 HydrophobicContact CE2-CB 4.03Å; F225-I360 HydrophobicContact CE2-CD1 3.4Å; F225-I360 HydrophobicContact CE2-CG1 3.5Å; F225-I360 HydrophobicContact CG-CB 3.76Å; F225-I360 HydrophobicContact CG-CG1 4.06Å; F225-I360 HydrophobicContact CZ-CD1 3.94Å; F225-I360 HydrophobicContact CZ-CG1 3.74Å; D306-I360 HydrophobicContact CB-CD1 4.01Å; L310-I360 HydrophobicContact CD2-CD1 4.49Å; W343-I360 HydrophobicContact CH2-CG1 4.33Å; W343-I360 HydrophobicContact CH2-CG2 4.34Å; W343-I360 HydrophobicContact CZ3-CG2 4.1Å; E358-I360 VanDerWaalsContact C-N 3.3Å; E358-I360 PolarHBondContact O-N 2.96Å; I360-F363 PolarHBondContact O-N 3.4Å; I360-T364 PolarHBondContact O-N 3.46Å; I360-T364 PolarHBondContact O-OG1 2.95Å
361L98.4Very high97Very high1 Ų128.9 Ų28.91%0.00514%0.143CC..Hα-helixtrans-62.2-48.6174.4177.366.2000110.1M16 L339 W343 L350 E359 F363 T364 F365 F425 W429M16-L361 HydrophobicContact CE-CD2 4Å; L339-L361 HydrophobicContact CD2-CD1 4.09Å; L339-L361 HydrophobicContact CD2-CD2 4.27Å; W343-L361 HydrophobicContact CB-CD1 4.31Å; W343-L361 HydrophobicContact CD2-CD1 3.37Å; W343-L361 VanDerWaalsContact CE2-CD1 3.49Å; W343-L361 HydrophobicContact CE3-CB 4.41Å; W343-L361 HydrophobicContact CE3-CD1 3.82Å; W343-L361 HydrophobicContact CG-CD1 3.57Å; W343-L361 HydrophobicContact CH2-CD1 4.44Å; W343-L361 HydrophobicContact CZ2-CD1 4.06Å; W343-L361 HydrophobicContact CZ3-CB 4.31Å; W343-L361 HydrophobicContact CZ3-CD1 4.32Å; L350-L361 HydrophobicContact CD1-CB 4.06Å; L350-L361 HydrophobicContact CD1-CD2 3.69Å; L350-L361 HydrophobicContact CD2-CD2 3.73Å; L350-L361 HydrophobicContact CG-CD2 4.3Å; E359-L361 PolarHBondContact O-N 3.07Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 3Å; L361-T364 VanDerWaalsContact O-CB 3.29Å; L361-T364 WeakPolarHBondContact O-CB 3.38Å; L361-T364 PolarHBondContact O-N 3.08Å; L361-T364 VanDerWaalsContact O-N 3.11Å; L361-F365 HydrophobicContact CD1-CD2 4.16Å; L361-F365 HydrophobicContact CD1-CE2 3.81Å; L361-F365 PolarHBondContact O-N 3.2Å; L361-F425 HydrophobicContact CG-CE2 4.39Å; L361-W429 HydrophobicContact CD2-CZ3 4.14Å
362R98.2Very high96.9Very high29 Ų2925.4 Ų25.411%0.10913%0.128CC..Hα-helixtrans-61.1-42.7177.4-166.5-170.2175.3-74.2-1.9111.6Y233 E359 T364 F365 Q366 F425 F426 W429Y233-R362 VanDerWaalsContact CE1-CZ 3.48Å; Y233-R362 VanDerWaalsContact CG-NH1 3.35Å; E359-R362 HydrophobicContact CB-CB 4.01Å; E359-R362 PolarHBondContact O-N 3.22Å; E359-R362 WeakPolarHBondContact OE2-CD 3.4Å; E359-R362 IonicContact OE2-NE 3.56Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 3.46Å; R362-F365 PolarHBondContact O-N 3.46Å; R362-Q366 PolarHBondContact O-N 2.9Å; R362-F425 HydrophobicContact CG-CE1 4.25Å; R362-F426 HydrophobicContact CG-CE1 3.93Å; R362-F426 HydrophobicContact CG-CZ 4.44Å; R362-W429 HydrophobicContact CB-CZ2 4.34Å
363F98.6Very high96.6Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-55.3-43.8173.1169.9-92.5000111.8F225 W228 M235 I275 L310 E359 I360 L361 F365 Q366 F367F225-F363 HydrophobicContact CD1-CB 3.6Å; F225-F363 HydrophobicContact CD1-CD1 4.11Å; F225-F363 HydrophobicContact CD1-CD2 4.06Å; F225-F363 AromaticContact CD1-CG 3.65Å; F225-F363 HydrophobicContact CD1-CG 3.65Å; F225-F363 HydrophobicContact CE1-CB 3.77Å; F225-F363 AromaticContact CE1-CD1 3.34Å; F225-F363 HydrophobicContact CE1-CD1 3.34Å; F225-F363 AromaticContact CE1-CD2 3.75Å; F225-F363 HydrophobicContact CE1-CD2 3.75Å; F225-F363 AromaticContact CE1-CE1 3.81Å; F225-F363 HydrophobicContact CE1-CE1 3.81Å; F225-F363 HydrophobicContact CE1-CE2 4.18Å; F225-F363 AromaticContact CE1-CG 3.31Å; F225-F363 HydrophobicContact CE1-CG 3.31Å; F225-F363 HydrophobicContact CE1-CZ 4.21Å; F225-F363 HydrophobicContact CZ-CD1 4.09Å; F225-F363 HydrophobicContact CZ-CE1 4.35Å; F225-F363 HydrophobicContact CZ-CG 4.44Å; W228-F363 HydrophobicContact CD2-CB 4.37Å; W228-F363 AromaticContact CD2-CD2 3.94Å; W228-F363 HydrophobicContact CD2-CD2 3.94Å; W228-F363 AromaticContact CE2-CD2 3.65Å; W228-F363 HydrophobicContact CE3-CB 4.04Å; W228-F363 HydrophobicContact CE3-CD2 4.46Å; W228-F363 HydrophobicContact CG-CD2 4.29Å; W228-F363 HydrophobicContact CH2-CB 3.76Å; W228-F363 HydrophobicContact CH2-CD2 4.39Å; W228-F363 HydrophobicContact CZ2-CB 4.14Å; W228-F363 AromaticContact CZ2-CD2 3.89Å; W228-F363 HydrophobicContact CZ2-CD2 3.89Å; W228-F363 HydrophobicContact CZ3-CB 3.73Å; W228-F363 AromaticContact NE1-CD2 3.87Å; M235-F363 HydrophobicContact CE-CD2 4.14Å; M235-F363 HydrophobicContact CE-CE2 4.13Å; M235-F363 HydrophobicContact SD-CD2 4.2Å; M235-F363 HydrophobicContact SD-CE2 3.73Å; I275-F363 HydrophobicContact CG1-CE2 3.77Å; I275-F363 HydrophobicContact CG1-CZ 3.66Å; I275-F363 HydrophobicContact CG2-CE2 4.15Å; L310-F363 HydrophobicContact CD1-CD1 4.09Å; L310-F363 HydrophobicContact CD1-CE1 4.12Å; L310-F363 HydrophobicContact CD2-CE1 4.45Å; E359-F363 PolarHBondContact O-N 3.03Å; I360-F363 PolarHBondContact O-N 3.4Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 3Å; F363-F365 PolarHBondContact O-N 2.59Å; F363-Q366 PolarHBondContact O-N 3.38Å; F363-F367 HydrophobicContact CE1-CB 4.34Å; F363-F367 HydrophobicContact CZ-CB 4.42Å; F363-F367 HydrophobicContact CZ-CD2 4.07Å; F363-F367 WeakPolarHBondContact O-CB 3.44Å; F363-F367 PolarHBondContact O-N 3.33Å
364T98.7Very high96.4Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-58.1-49.7-178.4-55.30000111.5L310 C313 L314 W343 I360 L361 R362 F367 I368L310-T364 HydrophobicContact CD1-CG2 3.83Å; L310-T364 WeakPolarHBondContact CD1-OG1 3.26Å; C313-T364 HydrophobicContact CB-CG2 4.16Å; L314-T364 HydrophobicContact CD2-CG2 4.07Å; L314-T364 HydrophobicContact CG-CG2 4.35Å; W343-T364 WeakPolarHBondContact CH2-OG1 3.31Å; W343-T364 HydrophobicContact CZ2-CG2 3.94Å; W343-T364 WeakPolarHBondContact CZ2-OG1 3.14Å; I360-T364 PolarHBondContact O-N 3.46Å; I360-T364 PolarHBondContact O-OG1 2.95Å; L361-T364 VanDerWaalsContact O-CB 3.29Å; L361-T364 WeakPolarHBondContact O-CB 3.38Å; L361-T364 PolarHBondContact O-N 3.08Å; L361-T364 VanDerWaalsContact O-N 3.11Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 3.46Å; T364-F367 WeakPolarHBondContact O-CB 3.43Å; T364-F367 PolarHBondContact O-N 3.25Å; T364-I368 HydrophobicContact CG2-CD1 4.4Å; T364-I368 WeakPolarHBondContact O-CG1 3.28Å; T364-I368 PolarHBondContact O-N 3.21Å
365F98.6Very high96.2Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-73.2-31.2-179.5-77.1-85.5000112.9L335 L339 L361 R362 F363 F367 I368 G369 L421 S422 F425L335-F365 HydrophobicContact CD1-CD1 4.15Å; L335-F365 HydrophobicContact CD1-CE1 3.39Å; L335-F365 HydrophobicContact CD1-CZ 3.75Å; L339-F365 HydrophobicContact CD2-CE2 3.65Å; L339-F365 HydrophobicContact CD2-CZ 3.89Å; L339-F365 HydrophobicContact CG-CE2 4.4Å; L339-F365 HydrophobicContact CG-CZ 4.13Å; L361-F365 HydrophobicContact CD1-CD2 4.16Å; L361-F365 HydrophobicContact CD1-CE2 3.81Å; L361-F365 PolarHBondContact O-N 3.2Å; R362-F365 PolarHBondContact O-N 3.46Å; F363-F365 PolarHBondContact O-N 2.59Å; F365-F367 VanDerWaalsContact C-N 3.32Å; F365-F367 PolarHBondContact O-N 3.02Å; F365-I368 HydrophobicContact CD1-CD1 3.94Å; F365-I368 HydrophobicContact CE1-CD1 4.18Å; F365-I368 HydrophobicContact CG-CD1 4.42Å; F365-I368 WeakPolarHBondContact O-CB 3.16Å; F365-I368 PolarHBondContact O-N 3.2Å; F365-G369 PolarHBondContact O-N 3.25Å; F365-L421 HydrophobicContact CE1-CD1 4.46Å; F365-L421 HydrophobicContact CE1-CG 4.5Å; F365-S422 PolarHBondContact O-OG 2.7Å; F365-F425 HydrophobicContact CB-CB 3.97Å; F365-F425 HydrophobicContact CB-CD1 3.24Å; F365-F425 HydrophobicContact CB-CD2 4Å; F365-F425 HydrophobicContact CB-CE1 3.64Å; F365-F425 HydrophobicContact CB-CE2 4.33Å; F365-F425 HydrophobicContact CB-CG 3.45Å; F365-F425 VanDerWaalsContact CB-CG 3.45Å; F365-F425 HydrophobicContact CB-CZ 4.17Å; F365-F425 HydrophobicContact CD1-CB 3.56Å; F365-F425 HydrophobicContact CD1-CD1 4.39Å; F365-F425 AromaticContact CD1-CD2 3.9Å; F365-F425 HydrophobicContact CD1-CD2 3.9Å; F365-F425 AromaticContact CD1-CG 3.69Å; F365-F425 HydrophobicContact CD1-CG 3.69Å; F365-F425 HydrophobicContact CD2-CD1 4.26Å; F365-F425 AromaticContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CD2 3.47Å; F365-F425 VanDerWaalsContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CE1 4.32Å; F365-F425 AromaticContact CD2-CE2 3.54Å; F365-F425 HydrophobicContact CD2-CE2 3.54Å; F365-F425 AromaticContact CD2-CG 3.85Å; F365-F425 HydrophobicContact CD2-CG 3.85Å; F365-F425 AromaticContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CE1-CB 4.2Å; F365-F425 HydrophobicContact CE1-CD2 4.24Å; F365-F425 HydrophobicContact CE1-CG 4.4Å; F365-F425 AromaticContact CE2-CD2 3.85Å; F365-F425 HydrophobicContact CE2-CD2 3.85Å; F365-F425 HydrophobicContact CE2-CE2 4Å; F365-F425 HydrophobicContact CG-CB 3.8Å; F365-F425 AromaticContact CG-CD1 3.74Å; F365-F425 HydrophobicContact CG-CD1 3.74Å; F365-F425 AromaticContact CG-CD2 3.5Å; F365-F425 HydrophobicContact CG-CD2 3.5Å; F365-F425 VanDerWaalsContact CG-CD2 3.5Å; F365-F425 HydrophobicContact CG-CE1 4.18Å; F365-F425 AromaticContact CG-CE2 3.97Å; F365-F425 HydrophobicContact CG-CE2 3.97Å; F365-F425 AromaticContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CZ 4.28Å; F365-F425 HydrophobicContact CZ-CD2 4.21Å
366Q98.1Very high96.1Very high31 Ų3126.6 Ų26.615%0.14513%0.133CC..Hα-helixtrans-63.1-41.1168.9-161174.8-38.800111.4W228 Y233 M235 R362 F363 I368 G369 E370 F426W228-Q366 HydrophobicContact CZ2-CB 4.37Å; Y233-Q366 PolarHBondContact O-NE2 2.89Å; M235-Q366 HydrophobicContact CE-CB 3.36Å; M235-Q366 HydrophobicContact CE-CG 3.44Å; M235-Q366 VanDerWaalsContact CE-CG 3.44Å; R362-Q366 PolarHBondContact O-N 2.9Å; F363-Q366 PolarHBondContact O-N 3.38Å; Q366-I368 VanDerWaalsContact C-N 3.31Å; Q366-I368 PolarHBondContact O-N 2.63Å; Q366-G369 PolarHBondContact O-N 2.85Å; Q366-E370 PolarHBondContact O-N 3.06Å; Q366-E370 VanDerWaalsContact O-N 3.15Å; Q366-F426 HydrophobicContact CB-CE2 4.18Å; Q366-F426 HydrophobicContact CB-CZ 3.72Å; Q366-F426 HydrophobicContact CG-CE2 4.48Å; Q366-F426 HydrophobicContact CG-CZ 4.16Å
367F98.1Very high96.1Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-66.4-35.4179.2-174-88.6000111.3M235 Y276 T279 V280 L314 F363 T364 F365 G369 E370 M371M235-F367 VanDerWaalsContact CE-CA 3.47Å; M235-F367 HydrophobicContact CE-CB 3.87Å; M235-F367 HydrophobicContact SD-CD2 4.43Å; Y276-F367 AromaticContact CD2-CD2 3.89Å; Y276-F367 HydrophobicContact CD2-CD2 3.89Å; Y276-F367 AromaticContact CD2-CE2 3.5Å; Y276-F367 HydrophobicContact CD2-CE2 3.5Å; Y276-F367 VanDerWaalsContact CD2-CE2 3.5Å; Y276-F367 HydrophobicContact CD2-CZ 4.46Å; Y276-F367 HydrophobicContact CE2-CD2 4.29Å; Y276-F367 AromaticContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CZ 4.4Å; Y276-F367 HydrophobicContact CG-CE2 4.17Å; T279-F367 HydrophobicContact CG2-CD1 4.15Å; T279-F367 HydrophobicContact CG2-CD2 4.17Å; T279-F367 HydrophobicContact CG2-CE1 3.66Å; T279-F367 HydrophobicContact CG2-CE2 3.69Å; T279-F367 HydrophobicContact CG2-CG 4.38Å; T279-F367 HydrophobicContact CG2-CZ 3.4Å; T279-F367 VanDerWaalsContact CG2-CZ 3.4Å; V280-F367 HydrophobicContact CG2-CE2 4.22Å; V280-F367 HydrophobicContact CG2-CZ 3.71Å; L314-F367 HydrophobicContact CD1-CD1 3.92Å; L314-F367 HydrophobicContact CD1-CE1 4.05Å; L314-F367 HydrophobicContact CD2-CD1 3.73Å; L314-F367 HydrophobicContact CD2-CE1 4.39Å; L314-F367 HydrophobicContact CG-CD1 4.5Å; F363-F367 HydrophobicContact CE1-CB 4.34Å; F363-F367 HydrophobicContact CZ-CB 4.42Å; F363-F367 HydrophobicContact CZ-CD2 4.07Å; F363-F367 WeakPolarHBondContact O-CB 3.44Å; F363-F367 PolarHBondContact O-N 3.33Å; T364-F367 WeakPolarHBondContact O-CB 3.43Å; T364-F367 PolarHBondContact O-N 3.25Å; F365-F367 VanDerWaalsContact C-N 3.32Å; F365-F367 PolarHBondContact O-N 3.02Å; F367-G369 VanDerWaalsContact C-N 3.31Å; F367-G369 PolarHBondContact O-N 3.39Å; F367-E370 PolarHBondContact O-N 3.01Å; F367-M371 HydrophobicContact CD1-CB 4.39Å; F367-M371 HydrophobicContact CD1-CG 4.4Å; F367-M371 HydrophobicContact CD1-SD 3.75Å; F367-M371 HydrophobicContact CE1-CB 4.07Å; F367-M371 HydrophobicContact CE1-CG 4.37Å; F367-M371 HydrophobicContact CE1-SD 3.65Å; F367-M371 WeakPolarHBondContact O-CB 3.48Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 2.79Å
368I98.4Very high96Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-57-44.6172.8-72.4168.5000111.3L314 C317 T364 F365 Q366 M371 A372 L418 L421L314-I368 HydrophobicContact CD2-CD1 4.38Å; L314-I368 HydrophobicContact CD2-CG1 3.7Å; C317-I368 HydrophobicContact CB-CD1 4.28Å; T364-I368 HydrophobicContact CG2-CD1 4.4Å; T364-I368 WeakPolarHBondContact O-CG1 3.28Å; T364-I368 PolarHBondContact O-N 3.21Å; F365-I368 HydrophobicContact CD1-CD1 3.94Å; F365-I368 HydrophobicContact CE1-CD1 4.18Å; F365-I368 HydrophobicContact CG-CD1 4.42Å; F365-I368 WeakPolarHBondContact O-CB 3.16Å; F365-I368 PolarHBondContact O-N 3.2Å; Q366-I368 VanDerWaalsContact C-N 3.31Å; Q366-I368 PolarHBondContact O-N 2.63Å; I368-M371 HydrophobicContact CB-CE 4.15Å; I368-M371 HydrophobicContact CG1-CE 3.73Å; I368-M371 HydrophobicContact CG2-CE 4.31Å; I368-M371 WeakPolarHBondContact O-CG 3.35Å; I368-A372 PolarHBondContact O-N 3.47Å; I368-L418 HydrophobicContact CG2-CB 4.35Å; I368-L418 HydrophobicContact CG2-CD2 3.98Å; I368-L421 HydrophobicContact CD1-CD2 4.41Å; I368-L421 HydrophobicContact CG2-CD2 4.14Å; I368-L421 HydrophobicContact CG2-CG 4.46Å
369G97.1Very high95.8Very high16 Ų1621.8 Ų21.817%0.16511%0.108CC..Hα-helixtrans-63.5-44.9176.200000112.9F365 Q366 F367 A372F365-G369 PolarHBondContact O-N 3.25Å; Q366-G369 PolarHBondContact O-N 2.85Å; F367-G369 VanDerWaalsContact C-N 3.31Å; F367-G369 PolarHBondContact O-N 3.39Å; G369-A372 VanDerWaalsContact O-CB 3.26Å; G369-A372 WeakPolarHBondContact O-CB 3.39Å; G369-A372 PolarHBondContact O-N 3.34Å
370E95.4Very high95.5Very high68 Ų6821.4 Ų21.432%0.31811%0.106SC..Hα-helixtrans-65-43178.1-66.6-58.3154.900112.6M235 Y276 Q366 F367 A372M235-E370 HydrophobicContact CB-CG 4.3Å; M235-E370 HydrophobicContact CE-CG 4.35Å; M235-E370 HydrophobicContact CG-CG 3.81Å; Y276-E370 HydrophobicContact CD2-CB 4.45Å; Y276-E370 HydrophobicContact CE2-CB 3.82Å; Q366-E370 PolarHBondContact O-N 3.06Å; Q366-E370 VanDerWaalsContact O-N 3.15Å; F367-E370 PolarHBondContact O-N 3.01Å; E370-A372 PolarHBondContact O-N 3.41Å
371M94Very high95.1Very high0 Ų026.7 Ų26.70%013%0.126CC..Hα-helixtrans-73.4-6.9-178.178.6-177-171.700113.5L314 C317 L318 F367 I368 K373 C374 L377 L418L314-M371 HydrophobicContact CD2-CE 4.08Å; L314-M371 HydrophobicContact CD2-SD 4.06Å; C317-M371 HydrophobicContact CB-CE 4.44Å; L318-M371 HydrophobicContact CD1-CE 4.26Å; L318-M371 HydrophobicContact CD1-SD 4.13Å; L318-M371 HydrophobicContact CD2-CE 3.53Å; L318-M371 HydrophobicContact CD2-CG 4.37Å; L318-M371 HydrophobicContact CD2-SD 3.83Å; L318-M371 HydrophobicContact CG-CE 3.59Å; L318-M371 HydrophobicContact CG-SD 4.06Å; F367-M371 HydrophobicContact CD1-CB 4.39Å; F367-M371 HydrophobicContact CD1-CG 4.4Å; F367-M371 HydrophobicContact CD1-SD 3.75Å; F367-M371 HydrophobicContact CE1-CB 4.07Å; F367-M371 HydrophobicContact CE1-CG 4.37Å; F367-M371 HydrophobicContact CE1-SD 3.65Å; F367-M371 WeakPolarHBondContact O-CB 3.48Å; F367-M371 WeakPolarHBondContact O-CG 3.46Å; F367-M371 PolarHBondContact O-N 2.79Å; I368-M371 HydrophobicContact CB-CE 4.15Å; I368-M371 HydrophobicContact CG1-CE 3.73Å; I368-M371 HydrophobicContact CG2-CE 4.31Å; I368-M371 WeakPolarHBondContact O-CG 3.35Å; M371-K373 PolarHBondContact O-N 2.91Å; M371-C374 HydrophobicContact CB-CB 4.3Å; M371-C374 VanDerWaalsContact O-CB 3.23Å; M371-C374 WeakPolarHBondContact O-CB 3.32Å; M371-C374 PolarHBondContact O-N 2.88Å; M371-L377 HydrophobicContact CB-CD1 4.23Å; M371-L418 HydrophobicContact CE-CD2 3.98Å
372A94.8Very high94.8Very high3 Ų328.7 Ų28.73%0.02514%0.138CC..THydrogen-bonded Turntrans-55.4-35175.300000112I368 G369 E370 R414 Q415 L418 E419I368-A372 PolarHBondContact O-N 3.47Å; G369-A372 VanDerWaalsContact O-CB 3.26Å; G369-A372 WeakPolarHBondContact O-CB 3.39Å; G369-A372 PolarHBondContact O-N 3.34Å; E370-A372 PolarHBondContact O-N 3.41Å; A372-R414 PolarHBondContact O-NH1 3.48Å; A372-Q415 HydrophobicContact CB-CG 4.07Å; A372-L418 HydrophobicContact CB-CB 3.65Å; A372-L418 HydrophobicContact CB-CD1 4.38Å; A372-E419 HydrophobicContact CB-CG 3.67Å
373K89.8Confident94.4Very high137 Ų13729 Ų2960%0.59614%0.139SC*.THydrogen-bonded Turntrans-83.5-10.5178-61.5168.3-172.5163.80113.6M371 T375M371-K373 PolarHBondContact O-N 2.91Å; K373-T375 PolarHBondContact O-N 3.13Å
374C92.9Very high93.7Very high10 Ų1034 Ų347%0.06817%0.166CC..  trans-83.184.5-174.6-168.50000110.2M371 E376 L377 R414M371-C374 HydrophobicContact CB-CB 4.3Å; M371-C374 VanDerWaalsContact O-CB 3.23Å; M371-C374 WeakPolarHBondContact O-CB 3.32Å; M371-C374 PolarHBondContact O-N 2.88Å; C374-E376 PolarHBondContact O-N 2.98Å; C374-E376 WeakPolarHBondContact SG-CG 3.13Å; C374-E376 PolarHBondContact SG-OE1 3.29Å; C374-L377 HydrophobicContact CB-CD1 4.17Å; C374-L377 HydrophobicContact CB-CG 4.47Å; C374-L377 PolarHBondContact O-N 3.5Å; C374-L377 VanDerWaalsContact O-N 3.16Å; C374-R414 PolarHBondContact O-NH2 2.94Å
375T91.3Very high93Very high57 Ų5735.1 Ų35.135%0.3517%0.172SC..G310 helixtrans-67.1-22.8-178.759.80000113K373 L377 S378K373-T375 PolarHBondContact O-N 3.13Å; T375-L377 PolarHBondContact O-N 3.41Å; T375-S378 WeakPolarHBondContact O-CB 2.9Å; T375-S378 PolarHBondContact O-N 2.93Å
376E91.9Very high91.7Very high87 Ų8739.2 Ų39.241%0.40719%0.191SC..G310 helixtrans-68.3-11.4173.459.6173.3-160.800114L261 V280 K284 C374L261-E376 WeakPolarHBondContact CD2-O 3.14Å; V280-E376 WeakPolarHBondContact CG1-OE1 3.5Å; K284-E376 WeakPolarHBondContact CE-OE1 3.48Å; K284-E376 VanDerWaalsContact CE-OE2 3.22Å; K284-E376 WeakPolarHBondContact CE-OE2 3.32Å; K284-E376 IonicContact NZ-OE1 3.26Å; K284-E376 PolarHBondContact NZ-OE1 2.79Å; K284-E376 IonicContact NZ-OE2 3.49Å; K284-E376 PolarHBondContact NZ-OE2 3.21Å; C374-E376 PolarHBondContact O-N 2.98Å; C374-E376 WeakPolarHBondContact SG-CG 3.13Å; C374-E376 PolarHBondContact SG-OE1 3.29Å
377L95.2Very high89.9Confident0 Ų039.5 Ų39.50%020%0.195CC..G310 helixtrans-96.62.7171.1-70.2175.8000112.6V280 M283 K284 L287 L318 M371 C374 T375V280-L377 HydrophobicContact CG1-CD1 4.38Å; V280-L377 HydrophobicContact CG1-CD2 4.43Å; V280-L377 HydrophobicContact CG1-CG 4.46Å; V280-L377 HydrophobicContact CG2-CD1 4.46Å; M283-L377 HydrophobicContact CB-CD2 3.8Å; K284-L377 HydrophobicContact CG-CD2 3.72Å; L287-L377 HydrophobicContact CD1-CB 4.44Å; L287-L377 HydrophobicContact CD1-CD2 4.17Å; L287-L377 WeakPolarHBondContact CD1-O 3.39Å; L318-L377 HydrophobicContact CD1-CB 4.43Å; L318-L377 HydrophobicContact CD1-CD1 4.4Å; L318-L377 HydrophobicContact CD2-CB 4.27Å; M371-L377 HydrophobicContact CB-CD1 4.23Å; C374-L377 HydrophobicContact CB-CD1 4.17Å; C374-L377 HydrophobicContact CB-CG 4.47Å; C374-L377 PolarHBondContact O-N 3.5Å; C374-L377 VanDerWaalsContact O-N 3.16Å; T375-L377 PolarHBondContact O-N 3.41Å
378S94.7Very high87.8Confident0 Ų044.1 Ų44.10%022%0.223CC..  trans-84.1113.1175.1-1770000110D322 T375 R380 R381 V382 Q411D322-S378 WeakPolarHBondContact OD1-CB 3.42Å; D322-S378 PolarHBondContact OD1-OG 3.16Å; D322-S378 VanDerWaalsContact OD2-CA 3.32Å; D322-S378 WeakPolarHBondContact OD2-CA 3.33Å; T375-S378 WeakPolarHBondContact O-CB 2.9Å; T375-S378 PolarHBondContact O-N 2.93Å; S378-R380 VanDerWaalsContact C-N 3.26Å; S378-R380 PolarHBondContact O-N 3.19Å; S378-R381 PolarHBondContact O-N 2.98Å; S378-R381 PolarHBondContact OG-N 2.71Å; S378-V382 WeakPolarHBondContact O-CG2 3.18Å; S378-V382 PolarHBondContact O-N 2.84Å; S378-Q411 PolarHBondContact OG-NE2 3.02Å; S378-Q411 VanDerWaalsContact OG-NE2 3.11Å
379L93Very high85.5Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-59.7-39.6173.5-77.8-178.7000111.1F106 L261 L287 Y291 L319 D322 L324 R381 Y383 I385F106-L379 HydrophobicContact CE1-CD1 4.32Å; F106-L379 HydrophobicContact CZ-CD1 4.41Å; L261-L379 HydrophobicContact CD1-CD2 3.61Å; L287-L379 HydrophobicContact CB-CD2 4.1Å; L287-L379 HydrophobicContact CB-CG 4.46Å; L287-L379 HydrophobicContact CD2-CD1 4.07Å; L287-L379 HydrophobicContact CD2-CG 4.23Å; Y291-L379 HydrophobicContact CD2-CD1 4.48Å; Y291-L379 HydrophobicContact CD2-CD2 4.37Å; Y291-L379 HydrophobicContact CG-CD2 4.33Å; L319-L379 HydrophobicContact CD2-CD1 3.59Å; D322-L379 PolarHBondContact OD2-N 3.03Å; L324-L379 HydrophobicContact CD1-CB 3.63Å; L324-L379 HydrophobicContact CD1-CD1 3.9Å; L324-L379 HydrophobicContact CD1-CG 4.39Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 2.8Å; L379-Y383 HydrophobicContact CB-CD2 4.47Å; L379-Y383 HydrophobicContact CD2-CD2 3.69Å; L379-Y383 HydrophobicContact CD2-CE2 3.42Å; L379-Y383 VanDerWaalsContact CD2-CE2 3.42Å; L379-Y383 WeakPolarHBondContact O-CB 3.39Å; L379-Y383 WeakPolarHBondContact O-CD2 3.27Å; L379-Y383 PolarHBondContact O-N 3.07Å; L379-I385 HydrophobicContact CB-CD1 4.16Å; L379-I385 WeakPolarHBondContact O-CD1 3.41Å
380R89.8Confident82.8Confident11 Ų1152 Ų524%0.04228%0.28CS..Hα-helixtrans-58.9-45.9177.4-73.2-161.4177.3-77.9-11.9111.9D322 D323 L324 S378 D384 I385 S407D322-R380 HydrophobicContact CB-CG 4.27Å; D322-R380 VanDerWaalsContact O-CD 3.3Å; D322-R380 WeakPolarHBondContact O-CD 3.46Å; D322-R380 PolarHBondContact O-NE 3.48Å; D322-R380 PolarHBondContact O-NH2 3.34Å; D323-R380 PolarHBondContact O-NH2 3.12Å; L324-R380 HydrophobicContact CD1-CG 4.39Å; L324-R380 HydrophobicContact CD2-CG 4.32Å; L324-R380 HydrophobicContact CG-CG 4.32Å; S378-R380 VanDerWaalsContact C-N 3.26Å; S378-R380 PolarHBondContact O-N 3.19Å; R380-D384 CarbonylContact O-C 3.52Å; R380-D384 WeakPolarHBondContact O-CA 3.43Å; R380-D384 PolarHBondContact O-N 3.36Å; R380-I385 HydrophobicContact CB-CB 4.5Å; R380-I385 HydrophobicContact CG-CB 4.24Å; R380-I385 PolarHBondContact NH1-O 2.76Å; R380-I385 PolarHBondContact O-N 3.46Å; R380-S407 WeakPolarHBondContact CB-OG 3.26Å; R380-S407 PolarHBondContact O-OG 3.26Å
381R90.4Very high80.2Confident111 Ų11153.3 Ų53.342%0.41930%0.297SS..Hα-helixtrans-70.2-45.5-176.6-175.6-178.3172.284.50.2111.7S378 L379 S407 D408S378-R381 PolarHBondContact O-N 2.98Å; S378-R381 PolarHBondContact OG-N 2.71Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 2.8Å; R381-S407 WeakPolarHBondContact CA-OG 3.37Å; R381-S407 PolarHBondContact N-OG 2.9Å; R381-D408 IonicContact CZ-OD1 3.96Å; R381-D408 IonicContact NH1-OD1 2.75Å; R381-D408 PolarHBondContact NH1-OD1 3.09Å
382V91.3Very high77.4Confident42 Ų4260.3 Ų60.326%0.25533%0.327SS..Hα-helixtrans-72.8-33.5-1741750000111.6L260 L261 S378L260-V382 HydrophobicContact CB-CG1 4.38Å; L260-V382 HydrophobicContact CD2-CG1 3.75Å; L260-V382 VanDerWaalsContact CD2-O 3.23Å; L260-V382 WeakPolarHBondContact CD2-O 3.47Å; L260-V382 HydrophobicContact CG-CG1 3.74Å; L261-V382 HydrophobicContact CD2-CB 3.99Å; L261-V382 HydrophobicContact CD2-CG1 3.87Å; L261-V382 HydrophobicContact CD2-CG2 3.73Å; L261-V382 HydrophobicContact CG-CB 4.44Å; L261-V382 HydrophobicContact CG-CG1 3.95Å; S378-V382 WeakPolarHBondContact O-CG2 3.18Å; S378-V382 PolarHBondContact O-N 2.84Å
383Y90.5Very high74.4Confident36 Ų3666.3 Ų66.314%0.14137%0.369CS..Hα-helixtrans-107.28.8-179-63.2-79.2000114.9L260 L261 Y291 E292 L379 I385L260-Y383 HydrophobicContact CB-CE1 3.8Å; L260-Y383 HydrophobicContact CD2-CD1 3.96Å; L260-Y383 HydrophobicContact CD2-CE1 3.92Å; L260-Y383 HydrophobicContact CG-CE1 4.46Å; L261-Y383 HydrophobicContact CD1-CE2 3.79Å; L261-Y383 HydrophobicContact CG-CE2 3.95Å; Y291-Y383 AromaticContact CD1-CD1 3.43Å; Y291-Y383 HydrophobicContact CD1-CD1 3.43Å; Y291-Y383 VanDerWaalsContact CD1-CD1 3.43Å; Y291-Y383 AromaticContact CD1-CD2 3.74Å; Y291-Y383 HydrophobicContact CD1-CD2 3.74Å; Y291-Y383 AromaticContact CD1-CE1 3.49Å; Y291-Y383 HydrophobicContact CD1-CE1 3.49Å; Y291-Y383 VanDerWaalsContact CD1-CE1 3.49Å; Y291-Y383 AromaticContact CD1-CE2 3.81Å; Y291-Y383 HydrophobicContact CD1-CE2 3.81Å; Y291-Y383 AromaticContact CD1-CG 3.55Å; Y291-Y383 HydrophobicContact CD1-CG 3.55Å; Y291-Y383 AromaticContact CD1-CZ 3.68Å; Y291-Y383 HydrophobicContact CD2-CD2 4.35Å; Y291-Y383 AromaticContact CE1-CD1 3.35Å; Y291-Y383 HydrophobicContact CE1-CD1 3.35Å; Y291-Y383 HydrophobicContact CE1-CD2 4.01Å; Y291-Y383 AromaticContact CE1-CE1 3.91Å; Y291-Y383 HydrophobicContact CE1-CE1 3.91Å; Y291-Y383 AromaticContact CE1-CG 3.4Å; Y291-Y383 HydrophobicContact CE1-CG 3.4Å; Y291-Y383 VanDerWaalsContact CE1-CG 3.4Å; Y291-Y383 HydrophobicContact CE2-CG 4.49Å; Y291-Y383 HydrophobicContact CG-CD1 4.41Å; Y291-Y383 AromaticContact CG-CD2 3.92Å; Y291-Y383 HydrophobicContact CG-CD2 3.92Å; Y291-Y383 HydrophobicContact CG-CE1 4.38Å; Y291-Y383 AromaticContact CG-CE2 3.91Å; Y291-Y383 HydrophobicContact CG-CE2 3.91Å; Y291-Y383 HydrophobicContact CG-CG 4.17Å; Y291-Y383 AromaticContact CZ-CG 3.92Å; E292-Y383 HydrophobicContact CG-CE1 3.71Å; E292-Y383 WeakPolarHBondContact OE1-CE1 3.48Å; E292-Y383 PolarHBondContact OE1-OH 3.48Å; L379-Y383 HydrophobicContact CB-CD2 4.47Å; L379-Y383 HydrophobicContact CD2-CD2 3.69Å; L379-Y383 HydrophobicContact CD2-CE2 3.42Å; L379-Y383 VanDerWaalsContact CD2-CE2 3.42Å; L379-Y383 WeakPolarHBondContact O-CB 3.39Å; L379-Y383 WeakPolarHBondContact O-CD2 3.27Å; L379-Y383 PolarHBondContact O-N 3.07Å; Y383-I385 PolarHBondContact O-N 3.38Å
384D85Confident72Confident104 Ų10462.6 Ų62.656%0.55636%0.361SS*.THydrogen-bonded Turntrans49.752-178.4-160.224.5000113.6R380 H386R380-D384 CarbonylContact O-C 3.52Å; R380-D384 WeakPolarHBondContact O-CA 3.43Å; R380-D384 PolarHBondContact O-N 3.36Å; D384-H386 PolarHBondContact O-N 3.17Å; D384-H386 IonicContact OD1-CE1 3.83Å; D384-H386 PolarHBondContact OD1-CE1 3.14Å; D384-H386 IonicContact OD1-NE2 3.03Å; D384-H386 IonicContact OD2-NE2 3.55Å
385I82Confident69.7Low24 Ų2470.8 Ų70.812%0.12340%0.404CS..  trans-87.5109.4-175.8-48.4167.3000110Y291 L324 L379 R380 Y383Y291-I385 HydrophobicContact CD2-CD1 4.13Å; Y291-I385 HydrophobicContact CE2-CD1 3.32Å; Y291-I385 HydrophobicContact CE2-CG1 4.05Å; L324-I385 HydrophobicContact CD1-CD1 4.27Å; L324-I385 HydrophobicContact CD2-CD1 4.36Å; L324-I385 HydrophobicContact CD2-CG2 4.25Å; L379-I385 HydrophobicContact CB-CD1 4.16Å; L379-I385 WeakPolarHBondContact O-CD1 3.41Å; R380-I385 HydrophobicContact CB-CB 4.5Å; R380-I385 HydrophobicContact CG-CB 4.24Å; R380-I385 PolarHBondContact NH1-O 2.76Å; R380-I385 PolarHBondContact O-N 3.46Å; Y383-I385 PolarHBondContact O-N 3.38Å
386H71.5Confident67.5Low87 Ų8771.6 Ų71.640%0.40341%0.411SS..PPolyproline II helixtrans-84.1140172.5-57.8-60.5000112.4D384 L404D384-H386 PolarHBondContact O-N 3.17Å; D384-H386 IonicContact OD1-CE1 3.83Å; D384-H386 PolarHBondContact OD1-CE1 3.14Å; D384-H386 IonicContact OD1-NE2 3.03Å; D384-H386 IonicContact OD2-NE2 3.55Å; H386-L404 HydrophobicContact CB-CD2 3.99Å
387V61.7Low65.2Low37 Ų3776.2 Ų76.222%0.22444%0.439CS..PPolyproline II helixtrans-80.2132.4165-173.10000108.1
388T53.7Low62.6Low97 Ų9782.3 Ų82.360%0.59547%0.471SS*.PPolyproline II helixtrans-98.8120.8157.646.20000106.7G390 I402 L404T388-G390 PolarHBondContact O-N 2.92Å; T388-I402 HydrophobicContact CG2-CG2 4.36Å; T388-L404 HydrophobicContact CG2-CD2 4.12Å
389D48.9Very low59.9Low102 Ų10288 Ų8855%0.54551%0.512SS..  trans-63.4101.3173.2-105.3-17.9000108.2S391D389-S391 PolarHBondContact O-N 3.11Å
390G41.4Very low57.2Low80 Ų8090.5 Ų90.583%0.82553%0.529SS*.  trans-72.717.8-174.900000114.9T388 K392T388-G390 PolarHBondContact O-N 2.92Å; G390-K392 PolarHBondContact O-N 3Å
391S39.8Very low54.8Low95 Ų9598.4 Ų98.466%0.66456%0.564SS**  trans-10048.8-176.660.50000112.4D389D389-S391 PolarHBondContact O-N 3.11Å
392K35.1Very low52.7Low146 Ų14698.3 Ų98.364%0.63557%0.571SS**  trans-158.888163.7-103.2163.2-163-175.80111.1G390 S394G390-K392 PolarHBondContact O-N 3Å; K392-S394 PolarHBondContact O-N 3.13Å
393S33.5Very low50.6Low129 Ų12999.2 Ų99.290%0.90257%0.574SS**  trans-63108.6150.857.40000107
394S38.3Very low48.9Very low60 Ų60102.2 Ų102.242%0.4259%0.592SS.*  trans-133.389.9174.3400000109.4K392 S396K392-S394 PolarHBondContact O-N 3.13Å; S394-S396 WeakPolarHBondContact CB-OG 3.47Å; S394-S396 PolarHBondContact O-N 3.28Å
395D44.8Very low47.8Very low182 Ų182103.2 Ų103.297%0.97359%0.588SS**  trans-60.176.2136.3-78.4-33.1000107.3
396S45.5Very low46.8Very low73 Ų73104 Ų10451%0.5160%0.596SS.*SBendtrans-164.7113.5164.959.50000108.1S394 D398S394-S396 WeakPolarHBondContact CB-OG 3.47Å; S394-S396 PolarHBondContact O-N 3.28Å; S396-D398 PolarHBondContact O-N 2.98Å
397D43.3Very low46.7Very low184 Ų184100.1 Ų100.198%0.98458%0.578SS**  trans-61.572168.7-77.7-39.1000110.9
398D40.8Very low47.2Very low128 Ų128103.1 Ų103.168%0.68459%0.593SS**SBendtrans-141.1124.7166.5-144.6-4.8000108.9S396 S400S396-D398 PolarHBondContact O-N 2.98Å; D398-S400 VanDerWaalsContact C-N 3.26Å; D398-S400 PolarHBondContact O-N 2.91Å
399S38Very low48.1Very low121 Ų121103.8 Ų103.885%0.84659%0.593SS**  trans-62.880.8-173.7530000111.1
400S36.9Very low49.7Very low52 Ų5299.9 Ų99.936%0.36457%0.572SS.*  trans-92.3115.7175.690.50000109.3D398 I402D398-S400 VanDerWaalsContact C-N 3.26Å; D398-S400 PolarHBondContact O-N 2.91Å; S400-I402 PolarHBondContact O-N 2.91Å
401F39.2Very low51.9Low176 Ų17697.1 Ų97.177%0.77254%0.537SS*.  trans-43115.1177.8-177.1-97.5000112.1D403F401-D403 HydrophobicContact CD1-CB 4.41Å; F401-D403 HydrophobicContact CE1-CB 4.1Å
402I44.6Very low54.4Low110 Ų11096.7 Ų96.756%0.56453%0.533SS*.  trans-79.6113.8167.2-58.5173.6000106T388 S400 L404T388-I402 HydrophobicContact CG2-CG2 4.36Å; S400-I402 PolarHBondContact O-N 2.91Å; I402-L404 HydrophobicContact CG2-CD2 4.35Å; I402-L404 HydrophobicContact CG2-CG 3.99Å; I402-L404 PolarHBondContact O-N 3.2Å
403D47.4Very low57.1Low60 Ų6093.3 Ų93.332%0.32152%0.521SS..  trans-72.482.1174.6-170.226.2000109.3F401 R405F401-D403 HydrophobicContact CD1-CB 4.41Å; F401-D403 HydrophobicContact CE1-CB 4.1Å; D403-R405 PolarHBondContact O-N 3.25Å; D403-R405 VanDerWaalsContact O-N 3.11Å; D403-R405 IonicContact OD2-CZ 3.7Å; D403-R405 IonicContact OD2-NE 3.81Å; D403-R405 PolarHBondContact OD2-NE 3.16Å; D403-R405 IonicContact OD2-NH2 3.43Å; D403-R405 PolarHBondContact OD2-NH2 2.77Å
404L55.7Low60Low100 Ų10087.3 Ų87.352%0.52448%0.479SS..  trans-75.691.2171.1-74.8164.3000108.2H386 T388 I402 S406H386-L404 HydrophobicContact CB-CD2 3.99Å; T388-L404 HydrophobicContact CG2-CD2 4.12Å; I402-L404 HydrophobicContact CG2-CD2 4.35Å; I402-L404 HydrophobicContact CG2-CG 3.99Å; I402-L404 PolarHBondContact O-N 3.2Å; L404-S406 PolarHBondContact O-N 3.38Å
405R60.8Low62.7Low125 Ų12587.7 Ų87.747%0.47247%0.474SS..  trans-70126.8170.6-64.1-174.5-173.2173.65.5109.4D403 L410D403-R405 PolarHBondContact O-N 3.25Å; D403-R405 VanDerWaalsContact O-N 3.11Å; D403-R405 IonicContact OD2-CZ 3.7Å; D403-R405 IonicContact OD2-NE 3.81Å; D403-R405 PolarHBondContact OD2-NE 3.16Å; D403-R405 IonicContact OD2-NH2 3.43Å; D403-R405 PolarHBondContact OD2-NH2 2.77Å; R405-L410 HydrophobicContact CB-CD1 4.47Å; R405-L410 HydrophobicContact CB-CD2 4.44Å; R405-L410 HydrophobicContact CB-CG 4.4Å
406S62.3Low65.1Low40 Ų4081.8 Ų81.828%0.2845%0.447SS..  trans-65.8154.6175.679.20000109.9L404 D408 D409L404-S406 PolarHBondContact O-N 3.38Å; S406-D408 PolarHBondContact O-N 2.99Å; S406-D409 WeakPolarHBondContact CB-OD2 3.33Å; S406-D409 PolarHBondContact N-OD2 2.75Å; S406-D409 PolarHBondContact O-N 2.96Å; S406-D409 PolarHBondContact OG-N 2.81Å; S406-D409 PolarHBondContact OG-OD2 2.87Å
407S69.7Low67.6Low5 Ų580.5 Ų80.54%0.03543%0.431CS..THydrogen-bonded Turntrans-63.4-25.4176.5-178.80000112.8R380 R381 Q411R380-S407 WeakPolarHBondContact CB-OG 3.26Å; R380-S407 PolarHBondContact O-OG 3.26Å; R381-S407 WeakPolarHBondContact CA-OG 3.37Å; R381-S407 PolarHBondContact N-OG 2.9Å; S407-Q411 PolarHBondContact O-NE2 3.03Å
408D71.6Confident70.2Confident100 Ų10071.8 Ų71.854%0.53538%0.384SS..THydrogen-bonded Turntrans-73.5-37-179.8-78.5-24.1000111.5R381 S406 L410 Q411R381-D408 IonicContact CZ-OD1 3.96Å; R381-D408 IonicContact NH1-OD1 2.75Å; R381-D408 PolarHBondContact NH1-OD1 3.09Å; S406-D408 PolarHBondContact O-N 2.99Å; D408-L410 PolarHBondContact O-N 3.44Å; D408-Q411 PolarHBondContact O-N 3.28Å
409D72.5Confident72.9Confident112 Ų11268.7 Ų68.760%0.59937%0.366SS*.THydrogen-bonded Turntrans-64.9-23.2177.2-61.6-42.2000112.8S406S406-D409 WeakPolarHBondContact CB-OD2 3.33Å; S406-D409 PolarHBondContact N-OD2 2.75Å; S406-D409 PolarHBondContact O-N 2.96Å; S406-D409 PolarHBondContact OG-N 2.81Å; S406-D409 PolarHBondContact OG-OD2 2.87Å
410L81.9Confident75.7Confident20 Ų2067.1 Ų67.111%0.10535%0.345CS..THydrogen-bonded Turntrans-89.9-11.8-178.5-64.7174.7000113.7R405 D408 L413 R414R405-L410 HydrophobicContact CB-CD1 4.47Å; R405-L410 HydrophobicContact CB-CD2 4.44Å; R405-L410 HydrophobicContact CB-CG 4.4Å; D408-L410 PolarHBondContact O-N 3.44Å; L410-L413 HydrophobicContact CD2-CD2 4.42Å; L410-L413 PolarHBondContact O-N 2.84Å; L410-R414 PolarHBondContact O-N 2.82Å
411Q88.4Confident78.7Confident21 Ų2164.7 Ų64.710%0.09833%0.328CS..Hα-helixtrans-62.8-42.2-178.7-64.8-57.4-62.100113.7S378 S407 D408 L413 R414 Q415S378-Q411 PolarHBondContact OG-NE2 3.02Å; S378-Q411 VanDerWaalsContact OG-NE2 3.11Å; S407-Q411 PolarHBondContact O-NE2 3.03Å; D408-Q411 PolarHBondContact O-N 3.28Å; Q411-L413 VanDerWaalsContact C-N 3.28Å; Q411-L413 PolarHBondContact O-N 3.25Å; Q411-R414 PolarHBondContact O-N 2.96Å; Q411-Q415 WeakPolarHBondContact O-CB 3.44Å; Q411-Q415 PolarHBondContact O-N 2.99Å
412P91.6Very high81.5Confident87 Ų8756.7 Ų56.757%0.56529%0.294SS*.Hα-helixtrans-60.7-37.8174.6-24.435.5000112.7S416P412-S416 WeakPolarHBondContact O-CB 3.49Å; P412-S416 PolarHBondContact O-N 3.32Å
413L91.9Very high84Confident75 Ų7556.3 Ų56.339%0.39329%0.293SS..Hα-helixtrans-67.7-45.1177-179.462.2000111.4L410 Q411 Q415 S416 R417L410-L413 HydrophobicContact CD2-CD2 4.42Å; L410-L413 PolarHBondContact O-N 2.84Å; Q411-L413 VanDerWaalsContact C-N 3.28Å; Q411-L413 PolarHBondContact O-N 3.25Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 3.05Å; L413-S416 PolarHBondContact O-N 3.06Å; L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 WeakPolarHBondContact O-CB 3.42Å; L413-R417 WeakPolarHBondContact O-CG 3.49Å; L413-R417 PolarHBondContact O-N 3.15Å
414R94.2Very high86.5Confident3 Ų354.5 Ų54.51%0.01128%0.283CS..Hα-helixtrans-55.7-48.6174.3179.5-163.2-179.9-88.75111.3A321 D322 A372 C374 L410 Q411 R417 L418A321-R414 HydrophobicContact CB-CG 3.8Å; D322-R414 WeakPolarHBondContact OD1-CD 3.39Å; D322-R414 IonicContact OD1-NE 3.59Å; D322-R414 PolarHBondContact OD1-NE 2.9Å; A372-R414 PolarHBondContact O-NH1 3.48Å; C374-R414 PolarHBondContact O-NH2 2.94Å; L410-R414 PolarHBondContact O-N 2.82Å; Q411-R414 PolarHBondContact O-N 2.96Å; R414-R417 PolarHBondContact O-N 3.19Å; R414-L418 HydrophobicContact CG-CD1 4.32Å; R414-L418 PolarHBondContact O-N 3.11Å; R414-L418 VanDerWaalsContact O-N 3.17Å
415Q95.6Very high88.5Confident67 Ų6749.8 Ų49.831%0.31326%0.258SS..Hα-helixtrans-60.6-49.8178.3-178.3178.9-12.100110.7A372 Q411 L413 R417 L418 E419A372-Q415 HydrophobicContact CB-CG 4.07Å; Q411-Q415 WeakPolarHBondContact O-CB 3.44Å; Q411-Q415 PolarHBondContact O-N 2.99Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 3.05Å; Q415-R417 VanDerWaalsContact C-N 3.33Å; Q415-R417 PolarHBondContact O-N 3.12Å; Q415-L418 PolarHBondContact O-N 2.55Å; Q415-E419 HydrophobicContact CG-CG 4.31Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.39Å; Q415-E419 PolarHBondContact NE2-OE1 2.84Å; Q415-E419 WeakPolarHBondContact O-CB 3.21Å; Q415-E419 WeakPolarHBondContact O-CG 3.38Å; Q415-E419 PolarHBondContact O-N 3.05Å
416S95.8Very high90.3Very high59 Ų5945.4 Ų45.441%0.41324%0.243SC..Hα-helixtrans-57-43.9178.2-173.20000112.3P412 L413 E419 E420P412-S416 WeakPolarHBondContact O-CB 3.49Å; P412-S416 PolarHBondContact O-N 3.32Å; L413-S416 PolarHBondContact O-N 3.06Å; S416-E419 PolarHBondContact O-N 2.87Å; S416-E420 WeakPolarHBondContact O-CB 3.48Å; S416-E420 PolarHBondContact O-N 3.39Å
417R96.5Very high92Very high46 Ų4647.5 Ų47.517%0.17425%0.248CC..Hα-helixtrans-60.7-45.5178.8-79.1179.8174.8-178.8-0.6112.2W320 D323 L413 R414 Q415 L421W320-R417 HydrophobicContact CH2-CB 3.68Å; W320-R417 HydrophobicContact CH2-CG 4.16Å; W320-R417 WeakPolarHBondContact CH2-O 3.43Å; W320-R417 HydrophobicContact CZ2-CB 4.29Å; W320-R417 HydrophobicContact CZ2-CG 4.31Å; W320-R417 HydrophobicContact CZ3-CB 3.84Å; W320-R417 WeakPolarHBondContact CZ3-O 3.36Å; W320-R417 PolarHBondContact O-NH1 3.14Å; D323-R417 IonicContact OD1-CZ 3.82Å; D323-R417 IonicContact OD1-NH1 2.93Å; D323-R417 PolarHBondContact OD1-NH1 3.22Å; D323-R417 IonicContact OD1-NH2 3.92Å; D323-R417 PolarHBondContact OD1-NH2 3.02Å; D323-R417 VanDerWaalsContact OD1-NH2 3.17Å; L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 WeakPolarHBondContact O-CB 3.42Å; L413-R417 WeakPolarHBondContact O-CG 3.49Å; L413-R417 PolarHBondContact O-N 3.15Å; R414-R417 PolarHBondContact O-N 3.19Å; Q415-R417 VanDerWaalsContact C-N 3.33Å; Q415-R417 PolarHBondContact O-N 3.12Å; R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 2.72Å
418L97.9Very high93.3Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-70.9-40.8180-68.7170.2000112.2C317 L318 A321 I368 M371 A372 R414 Q415 L421 S422C317-L418 HydrophobicContact CB-CD2 4.35Å; L318-L418 HydrophobicContact CD2-CD1 4.33Å; A321-L418 HydrophobicContact CB-CD1 3.76Å; A321-L418 HydrophobicContact CB-CD2 3.56Å; A321-L418 HydrophobicContact CB-CG 3.44Å; A321-L418 VanDerWaalsContact CB-CG 3.44Å; I368-L418 HydrophobicContact CG2-CB 4.35Å; I368-L418 HydrophobicContact CG2-CD2 3.98Å; M371-L418 HydrophobicContact CE-CD2 3.98Å; A372-L418 HydrophobicContact CB-CB 3.65Å; A372-L418 HydrophobicContact CB-CD1 4.38Å; R414-L418 HydrophobicContact CG-CD1 4.32Å; R414-L418 PolarHBondContact O-N 3.11Å; R414-L418 VanDerWaalsContact O-N 3.17Å; Q415-L418 PolarHBondContact O-N 2.55Å; L418-L421 PolarHBondContact O-N 2.84Å; L418-S422 WeakPolarHBondContact O-CB 3.34Å; L418-S422 PolarHBondContact O-N 2.93Å
419E97.9Very high94.6Very high63 Ų6343.1 Ų43.129%0.29422%0.223SC..Hα-helixtrans-62.9-45.7175-73.6177.1176.500111A372 Q415 S416 S422 N423A372-E419 HydrophobicContact CB-CG 3.67Å; Q415-E419 HydrophobicContact CG-CG 4.31Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.39Å; Q415-E419 PolarHBondContact NE2-OE1 2.84Å; Q415-E419 WeakPolarHBondContact O-CB 3.21Å; Q415-E419 WeakPolarHBondContact O-CG 3.38Å; Q415-E419 PolarHBondContact O-N 3.05Å; S416-E419 PolarHBondContact O-N 2.87Å; E419-S422 PolarHBondContact O-N 2.85Å; E419-N423 WeakPolarHBondContact O-CB 3.36Å; E419-N423 PolarHBondContact O-N 3.22Å; E419-N423 PolarHBondContact O-ND2 3.01Å; E419-N423 VanDerWaalsContact O-ND2 3.16Å
420E97.9Very high95.7Very high89 Ų8942 Ų4242%0.41622%0.217SC..Hα-helixtrans-62.3-45.1177.1-172.1177.4170.900111.9P331 S416 S422 N423 L424P331-E420 HydrophobicContact CB-CB 4.43Å; P331-E420 HydrophobicContact CB-CG 3.96Å; P331-E420 HydrophobicContact CG-CB 4.42Å; P331-E420 HydrophobicContact CG-CG 4.07Å; S416-E420 WeakPolarHBondContact O-CB 3.48Å; S416-E420 PolarHBondContact O-N 3.39Å; E420-S422 PolarHBondContact O-N 3.21Å; E420-N423 PolarHBondContact O-N 3.17Å; E420-L424 HydrophobicContact CG-CD1 4.22Å; E420-L424 HydrophobicContact CG-CG 4.48Å; E420-L424 WeakPolarHBondContact O-CB 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.36Å; E420-L424 PolarHBondContact O-N 3.26Å
421L98.4Very high96.4Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-57.8-46.3175.9177.362.4000112C317 W320 P331 M334 L335 F365 I368 R417 L418 F425C317-L421 HydrophobicContact CB-CD2 4.28Å; W320-L421 HydrophobicContact CE3-CD2 4.32Å; W320-L421 HydrophobicContact CH2-CB 4.3Å; W320-L421 HydrophobicContact CZ3-CB 4.08Å; W320-L421 HydrophobicContact CZ3-CD2 3.86Å; P331-L421 WeakPolarHBondContact O-CD1 3.42Å; M334-L421 HydrophobicContact CB-CD1 4.39Å; M334-L421 HydrophobicContact CG-CD1 4.43Å; M334-L421 HydrophobicContact CG-CD2 4.24Å; L335-L421 HydrophobicContact CB-CD1 3.7Å; L335-L421 HydrophobicContact CD1-CD1 4.2Å; F365-L421 HydrophobicContact CE1-CD1 4.46Å; F365-L421 HydrophobicContact CE1-CG 4.5Å; I368-L421 HydrophobicContact CD1-CD2 4.41Å; I368-L421 HydrophobicContact CG2-CD2 4.14Å; I368-L421 HydrophobicContact CG2-CG 4.46Å; R417-L421 WeakPolarHBondContact O-CB 3.33Å; R417-L421 PolarHBondContact O-N 2.72Å; L418-L421 PolarHBondContact O-N 2.84Å; L421-F425 PolarHBondContact O-N 3.23Å; L421-F425 VanDerWaalsContact O-N 3.15Å
422S98.5Very high96.7Very high8 Ų845.7 Ų45.76%0.05623%0.234CC..Hα-helixtrans-62.9-46176174.30000111.4F365 L418 E419 E420 L424 F425 F426F365-S422 PolarHBondContact O-OG 2.7Å; L418-S422 WeakPolarHBondContact O-CB 3.34Å; L418-S422 PolarHBondContact O-N 2.93Å; E419-S422 PolarHBondContact O-N 2.85Å; E420-S422 PolarHBondContact O-N 3.21Å; S422-L424 PolarHBondContact O-N 3.19Å; S422-F425 WeakPolarHBondContact O-CB 3.33Å; S422-F425 PolarHBondContact O-N 3.11Å; S422-F426 WeakPolarHBondContact O-CD2 3.34Å; S422-F426 PolarHBondContact O-N 3.41Å
423N98.4Very high96.8Very high103 Ų10343.3 Ų43.355%0.55122%0.216SC*.Hα-helixtrans-63-43.2-179.4-71.8-24.5000112.1E419 E420 F425 F426 E427E419-N423 WeakPolarHBondContact O-CB 3.36Å; E419-N423 PolarHBondContact O-N 3.22Å; E419-N423 PolarHBondContact O-ND2 3.01Å; E419-N423 VanDerWaalsContact O-ND2 3.16Å; E420-N423 PolarHBondContact O-N 3.17Å; N423-F425 VanDerWaalsContact C-N 3.35Å; N423-F425 PolarHBondContact O-N 2.94Å; N423-F426 PolarHBondContact O-N 3.48Å; N423-E427 WeakPolarHBondContact O-CB 3.29Å; N423-E427 PolarHBondContact O-N 3.21Å
424L98.3Very high97Very high22 Ų2246.5 Ų46.512%0.11523%0.227CC..Hα-helixtrans-59.4-45.4174.6-74.6171.5000111.2P331 I332 L335 E420 S422 F426 E427 F428P331-L424 HydrophobicContact CB-CD1 3.74Å; I332-L424 HydrophobicContact CB-CD1 4.27Å; L335-L424 HydrophobicContact CD2-CB 3.79Å; E420-L424 HydrophobicContact CG-CD1 4.22Å; E420-L424 HydrophobicContact CG-CG 4.48Å; E420-L424 WeakPolarHBondContact O-CB 3.3Å; E420-L424 WeakPolarHBondContact O-CG 3.36Å; E420-L424 PolarHBondContact O-N 3.26Å; S422-L424 PolarHBondContact O-N 3.19Å; L424-F426 VanDerWaalsContact C-N 3.33Å; L424-F426 PolarHBondContact O-N 2.97Å; L424-E427 WeakPolarHBondContact O-CB 3.37Å; L424-E427 PolarHBondContact O-N 3.4Å; L424-F428 HydrophobicContact CB-CE2 4.23Å; L424-F428 HydrophobicContact CD2-CE2 4.21Å; L424-F428 HydrophobicContact CD2-CZ 4.48Å; L424-F428 WeakPolarHBondContact O-CD2 3.41Å; L424-F428 PolarHBondContact O-N 2.73Å; L424-F428 VanDerWaalsContact O-N 3.16Å
425F98.6Very high96.9Very high1 Ų152 Ų520%0.00425%0.248CC..Hα-helixtrans-55.9-48.6174.9171.2-94.1000111.5L335 L339 L361 R362 F365 L421 S422 N423 F428 W429L335-F425 HydrophobicContact CD1-CB 3.86Å; L335-F425 HydrophobicContact CD1-CD2 4.21Å; L339-F425 HydrophobicContact CD2-CD2 4.23Å; L339-F425 HydrophobicContact CD2-CE2 4.13Å; L361-F425 HydrophobicContact CG-CE2 4.39Å; R362-F425 HydrophobicContact CG-CE1 4.25Å; F365-F425 HydrophobicContact CB-CB 3.97Å; F365-F425 HydrophobicContact CB-CD1 3.24Å; F365-F425 HydrophobicContact CB-CD2 4Å; F365-F425 HydrophobicContact CB-CE1 3.64Å; F365-F425 HydrophobicContact CB-CE2 4.33Å; F365-F425 HydrophobicContact CB-CG 3.45Å; F365-F425 VanDerWaalsContact CB-CG 3.45Å; F365-F425 HydrophobicContact CB-CZ 4.17Å; F365-F425 HydrophobicContact CD1-CB 3.56Å; F365-F425 HydrophobicContact CD1-CD1 4.39Å; F365-F425 AromaticContact CD1-CD2 3.9Å; F365-F425 HydrophobicContact CD1-CD2 3.9Å; F365-F425 AromaticContact CD1-CG 3.69Å; F365-F425 HydrophobicContact CD1-CG 3.69Å; F365-F425 HydrophobicContact CD2-CD1 4.26Å; F365-F425 AromaticContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CD2 3.47Å; F365-F425 VanDerWaalsContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CE1 4.32Å; F365-F425 AromaticContact CD2-CE2 3.54Å; F365-F425 HydrophobicContact CD2-CE2 3.54Å; F365-F425 AromaticContact CD2-CG 3.85Å; F365-F425 HydrophobicContact CD2-CG 3.85Å; F365-F425 AromaticContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CE1-CB 4.2Å; F365-F425 HydrophobicContact CE1-CD2 4.24Å; F365-F425 HydrophobicContact CE1-CG 4.4Å; F365-F425 AromaticContact CE2-CD2 3.85Å; F365-F425 HydrophobicContact CE2-CD2 3.85Å; F365-F425 HydrophobicContact CE2-CE2 4Å; F365-F425 HydrophobicContact CG-CB 3.8Å; F365-F425 AromaticContact CG-CD1 3.74Å; F365-F425 HydrophobicContact CG-CD1 3.74Å; F365-F425 AromaticContact CG-CD2 3.5Å; F365-F425 HydrophobicContact CG-CD2 3.5Å; F365-F425 VanDerWaalsContact CG-CD2 3.5Å; F365-F425 HydrophobicContact CG-CE1 4.18Å; F365-F425 AromaticContact CG-CE2 3.97Å; F365-F425 HydrophobicContact CG-CE2 3.97Å; F365-F425 AromaticContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CZ 4.28Å; F365-F425 HydrophobicContact CZ-CD2 4.21Å; L421-F425 PolarHBondContact O-N 3.23Å; L421-F425 VanDerWaalsContact O-N 3.15Å; S422-F425 WeakPolarHBondContact O-CB 3.33Å; S422-F425 PolarHBondContact O-N 3.11Å; N423-F425 VanDerWaalsContact C-N 3.35Å; N423-F425 PolarHBondContact O-N 2.94Å; F425-F428 PolarHBondContact O-N 3.22Å; F425-W429 HydrophobicContact CD1-CB 4.42Å; F425-W429 HydrophobicContact CE1-CB 4.09Å; F425-W429 HydrophobicContact CE1-CD2 4.22Å; F425-W429 HydrophobicContact CE1-CE3 4.33Å; F425-W429 HydrophobicContact CE1-CG 4.12Å; F425-W429 AromaticContact CE2-CE3 3.85Å; F425-W429 HydrophobicContact CE2-CE3 3.85Å; F425-W429 HydrophobicContact CZ-CB 4.18Å; F425-W429 AromaticContact CZ-CD2 3.77Å; F425-W429 HydrophobicContact CZ-CD2 3.77Å; F425-W429 AromaticContact CZ-CE3 3.45Å; F425-W429 HydrophobicContact CZ-CE3 3.45Å; F425-W429 VanDerWaalsContact CZ-CE3 3.45Å; F425-W429 HydrophobicContact CZ-CG 4.1Å; F425-W429 HydrophobicContact CZ-CZ3 4.13Å; F425-W429 WeakPolarHBondContact O-CB 3.03Å; F425-W429 PolarHBondContact O-N 3.09Å
426F98.4Very high96.7Very high32 Ų3251.8 Ų51.814%0.1424%0.244CC..Hα-helixtrans-70.9-29.4-178.8-75.3-66.3000113.7R362 Q366 S422 N423 L424 N430R362-F426 HydrophobicContact CG-CE1 3.93Å; R362-F426 HydrophobicContact CG-CZ 4.44Å; Q366-F426 HydrophobicContact CB-CE2 4.18Å; Q366-F426 HydrophobicContact CB-CZ 3.72Å; Q366-F426 HydrophobicContact CG-CE2 4.48Å; Q366-F426 HydrophobicContact CG-CZ 4.16Å; S422-F426 WeakPolarHBondContact O-CD2 3.34Å; S422-F426 PolarHBondContact O-N 3.41Å; N423-F426 PolarHBondContact O-N 3.48Å; L424-F426 VanDerWaalsContact C-N 3.33Å; L424-F426 PolarHBondContact O-N 2.97Å; F426-N430 WeakPolarHBondContact O-CB 3.12Å; F426-N430 PolarHBondContact O-N 3.27Å; F426-N430 PolarHBondContact O-ND2 2.85Å
427E97.9Very high96.4Very high84 Ų8454.5 Ų54.539%0.39325%0.25SS..Hα-helixtrans-56.6-58.9170.2-178.5-177.4157.100109.6K6 N423 L424 E431K6-E427 IonicContact NZ-OE1 2.8Å; K6-E427 PolarHBondContact NZ-OE1 3.45Å; K6-E427 IonicContact NZ-OE2 3.92Å; N423-E427 WeakPolarHBondContact O-CB 3.29Å; N423-E427 PolarHBondContact O-N 3.21Å; L424-E427 WeakPolarHBondContact O-CB 3.37Å; L424-E427 PolarHBondContact O-N 3.4Å; E427-E431 WeakPolarHBondContact O-CB 3.24Å; E427-E431 PolarHBondContact O-N 3.24Å
428F97.9Very high96Very high5 Ų555.9 Ų55.92%0.02226%0.264CS..Hα-helixtrans-69.1-39.9-177.5-58.4-56.2000113K6 V9 V10 L13 I332 L335 L424 F425 E431 E432K6-F428 HydrophobicContact CB-CE1 3.89Å; K6-F428 HydrophobicContact CB-CZ 4.06Å; K6-F428 HydrophobicContact CD-CE1 4.13Å; K6-F428 HydrophobicContact CD-CZ 4.2Å; K6-F428 HydrophobicContact CG-CE1 4.09Å; K6-F428 HydrophobicContact CG-CZ 3.9Å; V9-F428 HydrophobicContact CB-CD2 4.2Å; V9-F428 HydrophobicContact CB-CE2 4.14Å; V9-F428 HydrophobicContact CB-CZ 4.49Å; V9-F428 HydrophobicContact CG1-CB 4.44Å; V9-F428 HydrophobicContact CG1-CD2 3.48Å; V9-F428 VanDerWaalsContact CG1-CD2 3.48Å; V9-F428 HydrophobicContact CG1-CE2 3.85Å; V9-F428 HydrophobicContact CG1-CG 3.99Å; V9-F428 HydrophobicContact CG2-CE2 4.47Å; V10-F428 HydrophobicContact CG2-CD1 3.55Å; V10-F428 HydrophobicContact CG2-CE1 4.1Å; V10-F428 HydrophobicContact CG2-CG 4.34Å; L13-F428 HydrophobicContact CD2-CB 4.21Å; I332-F428 HydrophobicContact CD1-CZ 4.39Å; L335-F428 HydrophobicContact CD2-CD2 3.73Å; L335-F428 HydrophobicContact CD2-CE2 3.88Å; L424-F428 HydrophobicContact CB-CE2 4.23Å; L424-F428 HydrophobicContact CD2-CE2 4.21Å; L424-F428 HydrophobicContact CD2-CZ 4.48Å; L424-F428 WeakPolarHBondContact O-CD2 3.41Å; L424-F428 PolarHBondContact O-N 2.73Å; L424-F428 VanDerWaalsContact O-N 3.16Å; F425-F428 PolarHBondContact O-N 3.22Å; F428-E431 PolarHBondContact O-N 3.45Å; F428-E432 VanDerWaalsContact O-CB 3.29Å; F428-E432 WeakPolarHBondContact O-CB 3.49Å; F428-E432 PolarHBondContact O-N 3.07Å
429W97.7Very high95.3Very high8 Ų860 Ų603%0.0328%0.283CS..Hα-helixtrans-59.9-50.7178.2-179.7-87000111.7L13 L17 L350 M354 L361 R362 F425 E431 E432 I433L13-W429 HydrophobicContact CD1-CE3 3.97Å; L13-W429 HydrophobicContact CD1-CZ3 4.13Å; L13-W429 HydrophobicContact CD2-CB 4.38Å; L13-W429 HydrophobicContact CD2-CE3 4.29Å; L17-W429 HydrophobicContact CD2-CH2 4.25Å; L17-W429 HydrophobicContact CD2-CZ3 4.36Å; L350-W429 HydrophobicContact CD1-CH2 4.22Å; L350-W429 HydrophobicContact CD1-CZ3 4.42Å; L350-W429 HydrophobicContact CD2-CZ3 4.32Å; M354-W429 HydrophobicContact CE-CH2 4.18Å; M354-W429 HydrophobicContact CE-CZ2 3.87Å; M354-W429 HydrophobicContact SD-CH2 3.66Å; M354-W429 HydrophobicContact SD-CZ2 3.8Å; L361-W429 HydrophobicContact CD2-CZ3 4.14Å; R362-W429 HydrophobicContact CB-CZ2 4.34Å; F425-W429 HydrophobicContact CD1-CB 4.42Å; F425-W429 HydrophobicContact CE1-CB 4.09Å; F425-W429 HydrophobicContact CE1-CD2 4.22Å; F425-W429 HydrophobicContact CE1-CE3 4.33Å; F425-W429 HydrophobicContact CE1-CG 4.12Å; F425-W429 AromaticContact CE2-CE3 3.85Å; F425-W429 HydrophobicContact CE2-CE3 3.85Å; F425-W429 HydrophobicContact CZ-CB 4.18Å; F425-W429 AromaticContact CZ-CD2 3.77Å; F425-W429 HydrophobicContact CZ-CD2 3.77Å; F425-W429 AromaticContact CZ-CE3 3.45Å; F425-W429 HydrophobicContact CZ-CE3 3.45Å; F425-W429 VanDerWaalsContact CZ-CE3 3.45Å; F425-W429 HydrophobicContact CZ-CG 4.1Å; F425-W429 HydrophobicContact CZ-CZ3 4.13Å; F425-W429 WeakPolarHBondContact O-CB 3.03Å; F425-W429 PolarHBondContact O-N 3.09Å; W429-E431 VanDerWaalsContact C-N 3.34Å; W429-E431 PolarHBondContact O-N 3.41Å; W429-E432 PolarHBondContact O-N 3.28Å; W429-I433 HydrophobicContact CD2-CG1 4.45Å; W429-I433 HydrophobicContact CG-CG1 4.49Å; W429-I433 HydrophobicContact CZ2-CD1 4.24Å; W429-I433 HydrophobicContact CZ2-CG1 4.42Å; W429-I433 VanDerWaalsContact O-CG1 3.28Å; W429-I433 WeakPolarHBondContact O-CG1 3.27Å; W429-I433 PolarHBondContact O-N 2.94Å
430N96.7Very high94.6Very high88 Ų8860.3 Ų60.347%0.47129%0.292SS..Hα-helixtrans-67.9-36.9-177.5-67.4-31000111.8F426 K434F426-N430 WeakPolarHBondContact O-CB 3.12Å; F426-N430 PolarHBondContact O-N 3.27Å; F426-N430 PolarHBondContact O-ND2 2.85Å; N430-K434 WeakPolarHBondContact O-CB 3.17Å; N430-K434 PolarHBondContact O-N 2.99Å
431E95.2Very high93.7Very high115 Ų11559.6 Ų59.654%0.53729%0.294SS..Hα-helixtrans-60.1-47.9174.2-174.4176.8167.400111.4E427 F428 W429 K434 R435E427-E431 WeakPolarHBondContact O-CB 3.24Å; E427-E431 PolarHBondContact O-N 3.24Å; F428-E431 PolarHBondContact O-N 3.45Å; W429-E431 VanDerWaalsContact C-N 3.34Å; W429-E431 PolarHBondContact O-N 3.41Å; E431-K434 PolarHBondContact O-N 3.37Å; E431-R435 WeakPolarHBondContact O-CB 3.46Å; E431-R435 PolarHBondContact O-N 3.32Å
432E95.1Very high92.8Very high4 Ų464.1 Ų64.12%0.01932%0.317CS..Hα-helixtrans-70-40-176.6-17955.3-160.500112.7L13 S14 L17 F428 W429 R435 R436L13-E432 HydrophobicContact CD2-CB 4.28Å; L13-E432 HydrophobicContact CG-CG 4.47Å; S14-E432 WeakPolarHBondContact CB-OE1 3.1Å; S14-E432 PolarHBondContact OG-OE1 3.39Å; L17-E432 HydrophobicContact CD1-CB 4.43Å; L17-E432 HydrophobicContact CD1-CG 3.41Å; L17-E432 VanDerWaalsContact CD1-CG 3.41Å; F428-E432 VanDerWaalsContact O-CB 3.29Å; F428-E432 WeakPolarHBondContact O-CB 3.49Å; F428-E432 PolarHBondContact O-N 3.07Å; W429-E432 PolarHBondContact O-N 3.28Å; E432-R435 VanDerWaalsContact CD-NH2 3.34Å; E432-R435 PolarHBondContact O-N 3.33Å; E432-R435 IonicContact OE1-CZ 2.8Å; E432-R435 IonicContact OE1-NE 2.84Å; E432-R435 IonicContact OE1-NH2 3.81Å; E432-R435 PolarHBondContact OE1-NH2 2.91Å; E432-R435 IonicContact OE2-CZ 3.39Å; E432-R435 IonicContact OE2-NE 3.93Å; E432-R435 PolarHBondContact OE2-NE 3.45Å; E432-R435 IonicContact OE2-NH2 3.18Å; E432-R435 PolarHBondContact OE2-NH2 3.25Å; E432-R436 VanDerWaalsContact O-CG 3.31Å; E432-R436 WeakPolarHBondContact O-CG 3.5Å; E432-R436 PolarHBondContact O-N 3.33Å; E432-R436 VanDerWaalsContact O-N 3.1Å; E432-R436 IonicContact OE1-CZ 3.32Å; E432-R436 IonicContact OE1-NE 3.53Å; E432-R436 PolarHBondContact OE1-NE 3.39Å; E432-R436 IonicContact OE1-NH2 2.97Å; E432-R436 PolarHBondContact OE1-NH2 3.46Å
433I94.9Very high91.7Very high37 Ų3769.1 Ų69.119%0.1934%0.343CS..Hα-helixtrans-62.5-47172.9-65.9-60000110.6M354 W429 R435 R436 E437M354-I433 HydrophobicContact CE-CD1 3.9Å; W429-I433 HydrophobicContact CD2-CG1 4.45Å; W429-I433 HydrophobicContact CG-CG1 4.49Å; W429-I433 HydrophobicContact CZ2-CD1 4.24Å; W429-I433 HydrophobicContact CZ2-CG1 4.42Å; W429-I433 VanDerWaalsContact O-CG1 3.28Å; W429-I433 WeakPolarHBondContact O-CG1 3.27Å; W429-I433 PolarHBondContact O-N 2.94Å; I433-R435 VanDerWaalsContact C-N 3.32Å; I433-R435 PolarHBondContact O-N 2.93Å; I433-R436 WeakPolarHBondContact O-CB 3.43Å; I433-R436 PolarHBondContact O-N 2.89Å; I433-R436 VanDerWaalsContact O-N 3.13Å; I433-E437 HydrophobicContact CG2-CG 4.46Å; I433-E437 WeakPolarHBondContact O-CG 3.48Å; I433-E437 PolarHBondContact O-N 2.88Å
434K94.2Very high90.5Very high143 Ų14368.7 Ų68.762%0.62235%0.348SS*.Hα-helixtrans-60.7-41.3177.8-176-179.7179.3-1770111.8N430 E431 R436 E437 V438N430-K434 WeakPolarHBondContact O-CB 3.17Å; N430-K434 PolarHBondContact O-N 2.99Å; E431-K434 PolarHBondContact O-N 3.37Å; K434-R436 VanDerWaalsContact C-N 3.3Å; K434-R436 PolarHBondContact O-N 2.87Å; K434-E437 PolarHBondContact O-N 3.19Å; K434-V438 WeakPolarHBondContact O-CG2 3.48Å; K434-V438 PolarHBondContact O-N 3.47Å
435R92.3Very high88.9Confident119 Ų11972.7 Ų72.745%0.44937%0.369SS..Hα-helixtrans-58.2-42.9175.5-171-17570.786.1-3.6111.3S14 E431 E432 I433 Q439S14-R435 PolarHBondContact OG-NH2 2.95Å; S14-R435 VanDerWaalsContact OG-NH2 3.13Å; E431-R435 WeakPolarHBondContact O-CB 3.46Å; E431-R435 PolarHBondContact O-N 3.32Å; E432-R435 VanDerWaalsContact CD-NH2 3.34Å; E432-R435 PolarHBondContact O-N 3.33Å; E432-R435 IonicContact OE1-CZ 2.8Å; E432-R435 IonicContact OE1-NE 2.84Å; E432-R435 IonicContact OE1-NH2 3.81Å; E432-R435 PolarHBondContact OE1-NH2 2.91Å; E432-R435 IonicContact OE2-CZ 3.39Å; E432-R435 IonicContact OE2-NE 3.93Å; E432-R435 PolarHBondContact OE2-NE 3.45Å; E432-R435 IonicContact OE2-NH2 3.18Å; E432-R435 PolarHBondContact OE2-NH2 3.25Å; I433-R435 VanDerWaalsContact C-N 3.32Å; I433-R435 PolarHBondContact O-N 2.93Å; R435-Q439 PolarHBondContact O-N 2.97Å
436R91.6Very high86.6Confident61 Ų6174.6 Ų74.623%0.2339%0.388CS..Hα-helixtrans-68.5-40.8178.1-70170.7-178.8-88.3-17.2112.7S14 D18 E432 I433 K434 V438 Q439 S440S14-R436 PolarHBondContact O-NH2 2.91Å; S14-R436 PolarHBondContact OG-NH2 3.13Å; D18-R436 IonicContact OD1-CZ 3.61Å; D18-R436 VanDerWaalsContact OD1-CZ 3.25Å; D18-R436 IonicContact OD1-NH1 2.91Å; D18-R436 PolarHBondContact OD1-NH1 3.39Å; D18-R436 IonicContact OD1-NH2 3.13Å; D18-R436 PolarHBondContact OD1-NH2 3.19Å; D18-R436 IonicContact OD2-NH2 2.83Å; D18-R436 PolarHBondContact OD2-NH2 3.39Å; D18-R436 VanDerWaalsContact OD2-NH2 3.16Å; E432-R436 VanDerWaalsContact O-CG 3.31Å; E432-R436 WeakPolarHBondContact O-CG 3.5Å; E432-R436 PolarHBondContact O-N 3.33Å; E432-R436 VanDerWaalsContact O-N 3.1Å; E432-R436 IonicContact OE1-CZ 3.32Å; E432-R436 IonicContact OE1-NE 3.53Å; E432-R436 PolarHBondContact OE1-NE 3.39Å; E432-R436 IonicContact OE1-NH2 2.97Å; E432-R436 PolarHBondContact OE1-NH2 3.46Å; I433-R436 WeakPolarHBondContact O-CB 3.43Å; I433-R436 PolarHBondContact O-N 2.89Å; I433-R436 VanDerWaalsContact O-N 3.13Å; K434-R436 VanDerWaalsContact C-N 3.3Å; K434-R436 PolarHBondContact O-N 2.87Å; R436-V438 PolarHBondContact O-N 2.8Å; R436-Q439 PolarHBondContact O-N 3.45Å; R436-S440 WeakPolarHBondContact O-CB 2.94Å; R436-S440 PolarHBondContact O-N 2.89Å
437E89.8Confident84Confident116 Ų11679 Ų7954%0.54242%0.42SS..Hα-helixtrans-60-45.4174.8-72174.8169.500111.5I433 K434 S440 T441I433-E437 HydrophobicContact CG2-CG 4.46Å; I433-E437 WeakPolarHBondContact O-CG 3.48Å; I433-E437 PolarHBondContact O-N 2.88Å; K434-E437 PolarHBondContact O-N 3.19Å; E437-S440 PolarHBondContact O-N 3.12Å; E437-S440 PolarHBondContact O-OG 2.82Å; E437-T441 PolarHBondContact O-N 3.2Å; E437-T441 PolarHBondContact O-OG1 2.88Å
438V88.7Confident81.5Confident76 Ų7681.3 Ų81.346%0.46143%0.434SS..Hα-helixtrans-61.5-45.7175.1173.20000111K434 R436 S440 T441 I442K434-V438 WeakPolarHBondContact O-CG2 3.48Å; K434-V438 PolarHBondContact O-N 3.47Å; R436-V438 PolarHBondContact O-N 2.8Å; V438-S440 VanDerWaalsContact C-N 3.34Å; V438-S440 PolarHBondContact O-N 2.81Å; V438-T441 WeakPolarHBondContact O-CB 3.42Å; V438-T441 PolarHBondContact O-N 3.27Å; V438-I442 HydrophobicContact CG1-CD1 3.83Å; V438-I442 HydrophobicContact CG1-CG1 4.46Å; V438-I442 WeakPolarHBondContact O-CG1 3.39Å; V438-I442 PolarHBondContact O-N 3.45Å
439Q83.3Confident78.8Confident87 Ų8786.5 Ų86.541%0.40747%0.466SS..Hα-helixtrans-62.8-40178.4-170.862.249.800112.3R435 R436 T441 I442 N443R435-Q439 PolarHBondContact O-N 2.97Å; R436-Q439 PolarHBondContact O-N 3.45Å; Q439-T441 VanDerWaalsContact C-N 3.32Å; Q439-T441 PolarHBondContact O-N 3.35Å; Q439-I442 PolarHBondContact O-N 3.13Å; Q439-N443 PolarHBondContact NE2-OD1 3.01Å; Q439-N443 WeakPolarHBondContact O-CB 3.3Å; Q439-N443 PolarHBondContact O-N 2.99Å; Q439-N443 PolarHBondContact O-ND2 3.4Å; Q439-N443 PolarHBondContact O-OD1 2.74Å
440S82.3Confident75.7Confident69 Ų6993.1 Ų93.148%0.48350%0.502SS..Hα-helixtrans-64-38.5176.276.60000111.9R436 E437 V438 N443 S444R436-S440 WeakPolarHBondContact O-CB 2.94Å; R436-S440 PolarHBondContact O-N 2.89Å; E437-S440 PolarHBondContact O-N 3.12Å; E437-S440 PolarHBondContact O-OG 2.82Å; V438-S440 VanDerWaalsContact C-N 3.34Å; V438-S440 PolarHBondContact O-N 2.81Å; S440-N443 PolarHBondContact O-N 3.29Å; S440-S444 WeakPolarHBondContact O-CB 3.3Å; S440-S444 PolarHBondContact O-N 2.83Å; S440-S444 PolarHBondContact O-OG 3.34Å
441T80.5Confident72.9Confident74 Ų7498 Ų9845%0.45452%0.522SS..Hα-helixtrans-65.7-46.6176.4-55.20000110.6E437 V438 Q439 N443 S444 I445E437-T441 PolarHBondContact O-N 3.2Å; E437-T441 PolarHBondContact O-OG1 2.88Å; V438-T441 WeakPolarHBondContact O-CB 3.42Å; V438-T441 PolarHBondContact O-N 3.27Å; Q439-T441 VanDerWaalsContact C-N 3.32Å; Q439-T441 PolarHBondContact O-N 3.35Å; T441-N443 VanDerWaalsContact C-N 3.34Å; T441-N443 PolarHBondContact O-N 3.19Å; T441-S444 PolarHBondContact O-N 2.89Å; T441-S444 PolarHBondContact O-OG 3.31Å; T441-I445 HydrophobicContact CG2-CD1 4.23Å; T441-I445 WeakPolarHBondContact O-CG1 3.32Å; T441-I445 PolarHBondContact O-N 3.24Å; T441-I445 VanDerWaalsContact O-N 3.15Å
442I79Confident70.1Confident94 Ų9497.1 Ų97.148%0.48253%0.529SS..Hα-helixtrans-60.4-44.5176.2-66.8167.2000110.7V438 Q439 S444 I445V438-I442 HydrophobicContact CG1-CD1 3.83Å; V438-I442 HydrophobicContact CG1-CG1 4.46Å; V438-I442 WeakPolarHBondContact O-CG1 3.39Å; V438-I442 PolarHBondContact O-N 3.45Å; Q439-I442 PolarHBondContact O-N 3.13Å; I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 3.11Å; I442-I445 CarbonylContact O-C 3.51Å; I442-I445 PolarHBondContact O-N 3.15Å; I442-I445 VanDerWaalsContact O-N 3.15Å; I442-I445 VanDerWaalsContact O-O 3.05Å
443N75.5Confident67.1Low114 Ų114102.9 Ų102.961%0.6156%0.564SS**Hα-helixtrans-66.6-28.6179.2-68.4-9.7000112.8Q439 S440 T441 I445Q439-N443 PolarHBondContact NE2-OD1 3.01Å; Q439-N443 WeakPolarHBondContact O-CB 3.3Å; Q439-N443 PolarHBondContact O-N 2.99Å; Q439-N443 PolarHBondContact O-ND2 3.4Å; Q439-N443 PolarHBondContact O-OD1 2.74Å; S440-N443 PolarHBondContact O-N 3.29Å; T441-N443 VanDerWaalsContact C-N 3.34Å; T441-N443 PolarHBondContact O-N 3.19Å; N443-I445 VanDerWaalsContact C-N 3.35Å
444S73.1Confident64.2Low94 Ų94108.3 Ų108.366%0.65760%0.599SS**Hα-helixtrans-74.9-24.517571.80000113.2S440 T441 I442 G446S440-S444 WeakPolarHBondContact O-CB 3.3Å; S440-S444 PolarHBondContact O-N 2.83Å; S440-S444 PolarHBondContact O-OG 3.34Å; T441-S444 PolarHBondContact O-N 2.89Å; T441-S444 PolarHBondContact O-OG 3.31Å; I442-S444 VanDerWaalsContact C-N 3.27Å; I442-S444 PolarHBondContact O-N 3.11Å; S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact O-N 3.42Å
445I64.8Low61.4Low106 Ų106107.4 Ų107.454%0.54461%0.605SS.*SBendtrans-88.877.1170.7-54.7162.8000106.6T441 I442 N443 I448T441-I445 HydrophobicContact CG2-CD1 4.23Å; T441-I445 WeakPolarHBondContact O-CG1 3.32Å; T441-I445 PolarHBondContact O-N 3.24Å; T441-I445 VanDerWaalsContact O-N 3.15Å; I442-I445 CarbonylContact O-C 3.51Å; I442-I445 PolarHBondContact O-N 3.15Å; I442-I445 VanDerWaalsContact O-N 3.15Å; I442-I445 VanDerWaalsContact O-O 3.05Å; N443-I445 VanDerWaalsContact C-N 3.35Å; I445-I448 HydrophobicContact CG2-CD1 4.45Å
446G49.7Very low58.4Low40 Ų40108.8 Ų108.841%0.41262%0.621SS.*  trans-51.1161.8172.600000111.8S444 I448S444-G446 VanDerWaalsContact C-N 3.33Å; S444-G446 PolarHBondContact O-N 3.42Å; G446-I448 PolarHBondContact O-N 3.27Å
447P44.1Very low55.9Low124 Ų124115.1 Ų115.181%0.80565%0.65SS**  trans-56116.1-173.323.9-31.8000109.5T449P447-T449 VanDerWaalsContact C-N 3.26Å; P447-T449 PolarHBondContact O-N 2.93Å
448I45.3Very low53.3Low133 Ų133116.8 Ų116.868%0.68266%0.663SS**  trans-65.395.6169.7-59.4173.4000105.5I445 G446 N450I445-I448 HydrophobicContact CG2-CD1 4.45Å; G446-I448 PolarHBondContact O-N 3.27Å; I448-N450 PolarHBondContact O-N 3.5Å
449T40.5Very low50.6Low114 Ų114117.6 Ų117.670%0.69968%0.678SS**  trans-63.9104.416347.50000106.5P447 E451P447-T449 VanDerWaalsContact C-N 3.26Å; P447-T449 PolarHBondContact O-N 2.93Å; T449-E451 PolarHBondContact O-N 3.49Å
450N34Very low48.3Very low148 Ų148121.9 Ų121.979%0.79170%0.698SS**  trans-6381.7164.1-82.5-25.6000108.7I448 S452I448-N450 PolarHBondContact O-N 3.5Å; N450-S452 PolarHBondContact O-N 3.5Å
451E36.8Very low46.1Very low189 Ų189126.3 Ų126.388%0.88372%0.715SS**  trans-88.489156.1-85.3-169.1163.300108.4T449T449-E451 PolarHBondContact O-N 3.49Å
452S35.9Very low43.8Very low98 Ų98130.1 Ų130.169%0.68573%0.731SS**  trans-70.5125.2164.555.20000110.5N450N450-S452 PolarHBondContact O-N 3.5Å
453V32.7Very low41.7Very low124 Ų124130 Ų13075%0.75274%0.738SS**  trans66.697.3141.8-172.60000117
454V34.6Very low39.7Very low152 Ų152131.8 Ų131.892%0.92175%0.748SS**  trans-144.1136.6133.5-175.60000110
455V35.2Very low38Very low124 Ų124133.1 Ų133.175%0.75276%0.757SS**  trans-74147.4-164.61710000114.8
456D29.4Very low36.4Very low147 Ų147137.5 Ų137.579%0.78677%0.772SS**  trans-27.7141165.6-82.2-47000117.2
457K38.2Very low35.8Very low194 Ų194144.3 Ų144.384%0.84379%0.793SS**  trans-159.8119.8137.2-105.8160.7-166.9-179.60112.4
458N36.6Very low35.3Very low151 Ų151147.9 Ų147.981%0.80780%0.796SS**  trans92.689.9149.7-58-18.9000118.8
459A31.1Very low34.6Very low94 Ų94145.7 Ų145.778%0.77779%0.793SS**  trans-54.6141.214400000112.2
460Q35.4Very low34.4Very low176 Ų176147.5 Ų147.582%0.82280%0.804SS**  -179129.5124.5-104.1-179.27.100112.3
461L35.6Very low34.2Very low162 Ų162149.4 Ų149.485%0.84881%0.806SS**  trans122.296.5143.7-70.8150.2000117.1
462I32.9Very low34Very low155 Ų155146.1 Ų146.180%0.79579%0.794SS**  trans-77.3143166.4-62.8159.8000108.8
463S34.4Very low33.9Very low90 Ų90147.3 Ų147.363%0.62979%0.793SS**  144.2133.8114.667.50000117.3
464N33Very low34.1Very low153 Ų153147.4 Ų147.482%0.81879%0.789SS**  trans73.3131.3143.3-59.3-16.5000118.2
465S37.3Very low34.1Very low122 Ų122146.8 Ų146.885%0.85378%0.781SS**  cis-169.4156.547.141.30000112.8
466K32Very low33.9Very low197 Ų197149.2 Ų149.286%0.85778%0.784SS**  trans-89.7159.4174-77.9171.7167.81730111.3
467E36.3Very low34Very low183 Ų183147.2 Ų147.286%0.85578%0.781SS**  trans177.9117.8132.6-97.6167.7-169.600109.7
468K34.3Very low33.6Very low199 Ų199142.9 Ų142.987%0.86578%0.775SS**  57.2142.786.9-91.3-172.5175.1-178.50114.3
469S31.2Very low33.5Very low87 Ų87142.1 Ų142.161%0.60878%0.776SS**  cis165.6131.2-17.649.20000106.3
470T35.3Very low33.3Very low152 Ų152141.3 Ų141.393%0.93378%0.777SS**  trans-164.1132.6151.6-30000115
471F29.2Very low33.1Very low189 Ų189141.6 Ų141.683%0.82978%0.778SS**  trans-59.8164.5168.6-91.9-102.3000113.7
472N34.5Very low33Very low119 Ų119141.5 Ų141.564%0.63677%0.773SS**  -177.1150.756.2-112.4-19.8000111
473N33.9Very low32.8Very low123 Ų123141.2 Ų141.266%0.65877%0.774SS**  trans68.4139135.7-71.419.2000121
474D35.5Very low32.6Very low126 Ų126146.9 Ų146.967%0.67478%0.782SS**  cis-158.4161.820.5-81.1-40000112.2
475D34.2Very low32.3Very low140 Ų140144.2 Ų144.275%0.74978%0.782SS**  trans79.5109.1144.1-62.9-20.4000126.1
476E31.7Very low31.8Very low175 Ų175148.4 Ų148.482%0.81878%0.78SS**  74117.6124.3-69.5-164.3151.500124.6
477S30.8Very low31.5Very low104 Ų104150.4 Ų150.473%0.72778%0.782SS**  trans98.188.1132.476.90000121
478S29.6Very low31.2Very low103 Ų103147.9 Ų147.972%0.7278%0.775SS**  81.5132.4119.3950000122.7
479T34.6Very low30.8Very low136 Ų136143.9 Ų143.983%0.83477%0.772SS**  trans88.597.5157.668.30000117.4
480G27.4Very low30.9Very low77 Ų77146.5 Ų146.579%0.79478%0.779SS**  trans-82.2134.9-172.300000114.6
481H32.3Very low30.7Very low181 Ų181149.1 Ų149.184%0.83878%0.778SS**  trans-109.8100.1154.3-108.1-78.3000106.7N483H481-N483 PolarHBondContact O-N 3.22Å
482E32.5Very low30.7Very low161 Ų161143.1 Ų143.175%0.75276%0.758SS**  trans-77.8101.9172.1-76-171.6163.500109.9
483N29Very low30.7Very low149 Ų149141 Ų14180%0.79775%0.752SS**  trans-79.8107.2163.1-81.6-41.3000109.1H481 A485H481-N483 PolarHBondContact O-N 3.22Å; N483-A485 PolarHBondContact O-N 3.43Å
484Y30.6Very low30.8Very low208 Ų208143.6 Ų143.682%0.81676%0.76SS**  trans-81.996.9162.3-84.3-83.3000109.7
485A25.7Very low30.8Very low97 Ų97143.4 Ų143.480%0.80276%0.759SS**  trans-80.7108.4165.600000109.4N483N483-A485 PolarHBondContact O-N 3.43Å
486Y28.2Very low30.9Very low210 Ų210142 Ų14282%0.82475%0.748SS**  trans-95.6107.2163.1-142.3-90.6000109N488Y486-N488 PolarHBondContact O-N 3.17Å
487R23.9Very low31Very low239 Ų239138.3 Ų138.390%0.90273%0.734SS**  trans-64.6111.4165.6-91.6178.9172.9171.4-1.5107.9
488N29.9Very low31.6Very low131 Ų131135.8 Ų135.870%0.70172%0.716SS**  trans-128.3106.8154.5-111.9-13.9000108.7Y486 N490Y486-N488 PolarHBondContact O-N 3.17Å; N488-N490 PolarHBondContact O-N 3.28Å; N488-N490 VanDerWaalsContact O-N 3.15Å
489S26.3Very low32.1Very low115 Ų115133.3 Ų133.380%0.80469%0.694SS**  trans-76.890.1175.553.10000109.6
490N34Very low32.2Very low141 Ų141131.6 Ų131.675%0.75468%0.684SS**  trans-119.9114.9160.8-80.7-24.9000107.7N488 P492N488-N490 PolarHBondContact O-N 3.28Å; N488-N490 VanDerWaalsContact O-N 3.15Å; N490-P492 WeakPolarHBondContact O-CD 3.3Å
491K30.2Very low33Very low208 Ų208134.5 Ų134.590%0.90468%0.675SS**PPolyproline II helixtrans-58.5122171.1-82.7-179174.4179.90108S493K491-S493 PolarHBondContact O-N 2.89Å
492P29.9Very low33.8Very low63 Ų63129.3 Ų129.341%0.40965%0.651SS.*PPolyproline II helixtrans-67.2135.2175.126.2-29.9000109.1N490 Q496N490-P492 WeakPolarHBondContact O-CD 3.3Å; P492-Q496 HydrophobicContact CB-CB 3.96Å; P492-Q496 VanDerWaalsContact CB-OE1 3.22Å
493S35.6Very low34.5Very low74 Ų74125.3 Ų125.352%0.51763%0.634SS.*PPolyproline II helixtrans-61.5152.8172.458.90000110.1K491 N495 Q496K491-S493 PolarHBondContact O-N 2.89Å; S493-N495 PolarHBondContact O-N 3.05Å; S493-Q496 PolarHBondContact O-N 3.49Å
494E34.9Very low35.6Very low177 Ų177120.8 Ų120.883%0.82761%0.614SS**Hα-helixtrans-50.1-29.1-177.3-72.6179152.900113.5N497 S498E494-N497 PolarHBondContact O-N 3.06Å; E494-S498 PolarHBondContact O-N 3.24Å
495N35.8Very low36.8Very low122 Ų122114.6 Ų114.665%0.65260%0.595SS**Hα-helixtrans-66.9-34.6177.8-127.48.3000113.4S493 S498 I499S493-N495 PolarHBondContact O-N 3.05Å; N495-S498 PolarHBondContact O-N 2.87Å; N495-I499 WeakPolarHBondContact O-CG1 3.37Å; N495-I499 PolarHBondContact O-N 3.29Å
496Q35.4Very low38.1Very low112 Ų112111 Ų11152%0.52357%0.565SS.*Hα-helixtrans-71.3-36.8177.4-72.8-172.3-11.900112P492 S493 S498 I499 V500P492-Q496 HydrophobicContact CB-CB 3.96Å; P492-Q496 VanDerWaalsContact CB-OE1 3.22Å; S493-Q496 PolarHBondContact O-N 3.49Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.87Å; Q496-I499 PolarHBondContact O-N 3.44Å; Q496-V500 WeakPolarHBondContact O-CG2 3.4Å; Q496-V500 PolarHBondContact O-N 3.38Å; Q496-V500 VanDerWaalsContact O-N 3.11Å
497N35Very low39.2Very low96 Ų96104.5 Ų104.551%0.51354%0.544SS..Hα-helixtrans-66.1-37.5176-71.4-19.7000111.7E494 F501E494-N497 PolarHBondContact O-N 3.06Å; N497-F501 WeakPolarHBondContact O-CB 3.33Å; N497-F501 PolarHBondContact O-N 2.93Å
498S42.6Very low40.8Very low51 Ų5197.8 Ų97.836%0.35753%0.526SS..Hα-helixtrans-60.7-47.3175.1-175.70000111.9E494 N495 Q496 V500 F501 Q502E494-S498 PolarHBondContact O-N 3.24Å; N495-S498 PolarHBondContact O-N 2.87Å; Q496-S498 VanDerWaalsContact C-N 3.33Å; Q496-S498 PolarHBondContact O-N 2.87Å; S498-V500 PolarHBondContact O-N 3.26Å; S498-F501 PolarHBondContact O-N 3.46Å; S498-Q502 VanDerWaalsContact O-CG 3.3Å; S498-Q502 WeakPolarHBondContact O-CG 3.25Å; S498-Q502 PolarHBondContact O-N 2.85Å
499I39.7Very low42.2Very low51 Ų5194 Ų9426%0.26251%0.51SS..Hα-helixtrans-62.6-45.9179.8-66.5166000111.3V140 N495 Q496 F501 Q502 I503V140-I499 HydrophobicContact CG2-CD1 3.58Å; V140-I499 HydrophobicContact CG2-CG1 3.64Å; N495-I499 WeakPolarHBondContact O-CG1 3.37Å; N495-I499 PolarHBondContact O-N 3.29Å; Q496-I499 PolarHBondContact O-N 3.44Å; I499-F501 VanDerWaalsContact C-N 3.31Å; I499-F501 PolarHBondContact O-N 3.38Å; I499-Q502 PolarHBondContact O-N 3.3Å; I499-I503 HydrophobicContact CG2-CD1 3.82Å; I499-I503 HydrophobicContact CG2-CG1 4.46Å; I499-I503 WeakPolarHBondContact O-CG1 3.3Å; I499-I503 PolarHBondContact O-N 2.92Å
500V37.9Very low43.6Very low100 Ų10088.5 Ų88.561%0.60647%0.472SS*.Hα-helixtrans-61.3-41.7178.11730000111Q496 S498 S504Q496-V500 WeakPolarHBondContact O-CG2 3.4Å; Q496-V500 PolarHBondContact O-N 3.38Å; Q496-V500 VanDerWaalsContact O-N 3.11Å; S498-V500 PolarHBondContact O-N 3.26Å; V500-S504 WeakPolarHBondContact O-CB 3.38Å; V500-S504 PolarHBondContact O-N 3.47Å
501F43.7Very low44.7Very low139 Ų13985 Ų8561%0.6146%0.456SS*.Hα-helixtrans-65.9-40.6178.2-158.2-93.8000112N497 S498 I499 S504 N505N497-F501 WeakPolarHBondContact O-CB 3.33Å; N497-F501 PolarHBondContact O-N 2.93Å; S498-F501 PolarHBondContact O-N 3.46Å; I499-F501 VanDerWaalsContact C-N 3.31Å; I499-F501 PolarHBondContact O-N 3.38Å; F501-S504 PolarHBondContact O-N 3.26Å; F501-N505 VanDerWaalsContact CD1-ND2 3.3Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.48Å; F501-N505 VanDerWaalsContact CE1-ND2 3.3Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.48Å; F501-N505 VanDerWaalsContact O-CG 3.28Å; F501-N505 PolarHBondContact O-N 3.47Å; F501-N505 PolarHBondContact O-ND2 3.28Å
502Q48.2Very low46Very low72 Ų7278.5 Ų78.534%0.33644%0.436SS..Hα-helixtrans-65.8-44.2177.3-73.2173.9-8.100112.5F134 S498 I499 S504 N505 A506F134-Q502 HydrophobicContact CZ-CB 4.48Å; F134-Q502 VanDerWaalsContact CZ-CD 3.42Å; F134-Q502 HydrophobicContact CZ-CG 4.28Å; S498-Q502 VanDerWaalsContact O-CG 3.3Å; S498-Q502 WeakPolarHBondContact O-CG 3.25Å; S498-Q502 PolarHBondContact O-N 2.85Å; I499-Q502 PolarHBondContact O-N 3.3Å; Q502-S504 VanDerWaalsContact C-N 3.33Å; Q502-S504 PolarHBondContact O-N 2.96Å; Q502-N505 PolarHBondContact O-N 3.4Å; Q502-A506 PolarHBondContact O-N 3.41Å
503I47.1Very low47.3Very low77 Ų7776.2 Ų76.240%0.39542%0.421SS..Hα-helixtrans-62-42.6175.2-67.6169.7000110.6I499 N505 A506 L507I499-I503 HydrophobicContact CG2-CD1 3.82Å; I499-I503 HydrophobicContact CG2-CG1 4.46Å; I499-I503 WeakPolarHBondContact O-CG1 3.3Å; I499-I503 PolarHBondContact O-N 2.92Å; I503-N505 VanDerWaalsContact C-N 3.34Å; I503-N505 PolarHBondContact O-N 3.01Å; I503-A506 PolarHBondContact O-N 3.04Å; I503-L507 HydrophobicContact CG2-CD1 3.99Å; I503-L507 WeakPolarHBondContact O-CB 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 3.11Å
504S52.8Low48.2Very low53 Ų5374.1 Ų74.137%0.37141%0.405SS..Hα-helixtrans-59.6-44.5175.7-174.30000111.6V500 F501 Q502 L507 N508V500-S504 WeakPolarHBondContact O-CB 3.38Å; V500-S504 PolarHBondContact O-N 3.47Å; F501-S504 PolarHBondContact O-N 3.26Å; Q502-S504 VanDerWaalsContact C-N 3.33Å; Q502-S504 PolarHBondContact O-N 2.96Å; S504-L507 PolarHBondContact O-N 3.4Å; S504-N508 WeakPolarHBondContact O-CB 3.24Å; S504-N508 VanDerWaalsContact O-CG 3.24Å; S504-N508 PolarHBondContact O-N 3.5Å; S504-N508 PolarHBondContact O-ND2 3.15Å
505N56.3Low49.2Very low78 Ų7869.1 Ų69.142%0.41739%0.386SS..Hα-helixtrans-65-41.2176.7-71.9-19.1000112.5F501 Q502 I503 N508 S509F501-N505 VanDerWaalsContact CD1-ND2 3.3Å; F501-N505 WeakPolarHBondContact CD1-ND2 3.48Å; F501-N505 VanDerWaalsContact CE1-ND2 3.3Å; F501-N505 WeakPolarHBondContact CE1-ND2 3.48Å; F501-N505 VanDerWaalsContact O-CG 3.28Å; F501-N505 PolarHBondContact O-N 3.47Å; F501-N505 PolarHBondContact O-ND2 3.28Å; Q502-N505 PolarHBondContact O-N 3.4Å; I503-N505 VanDerWaalsContact C-N 3.34Å; I503-N505 PolarHBondContact O-N 3.01Å; N505-N508 PolarHBondContact O-N 2.96Å; N505-S509 VanDerWaalsContact O-CB 3.3Å; N505-S509 WeakPolarHBondContact O-CB 3.42Å; N505-S509 PolarHBondContact O-N 2.78Å
506A53.1Low50Low23 Ų2365.8 Ų65.819%0.1937%0.373CS..Hα-helixtrans-63-43.2176.400000111.6V128 Q502 I503 S509 A510V128-A506 HydrophobicContact CG1-CB 4.04Å; Q502-A506 PolarHBondContact O-N 3.41Å; I503-A506 PolarHBondContact O-N 3.04Å; A506-S509 PolarHBondContact O-N 3.12Å; A506-A510 VanDerWaalsContact O-CB 3.3Å; A506-A510 WeakPolarHBondContact O-CB 3.43Å; A506-A510 PolarHBondContact O-N 3.3Å
507L51.7Low50.7Low72 Ų7263.3 Ų63.338%0.37736%0.363SS..Hα-helixtrans-62.5-47.4174-79165.8000111.7I503 S504 S509 A510 V511I503-L507 HydrophobicContact CG2-CD1 3.99Å; I503-L507 WeakPolarHBondContact O-CB 3.3Å; I503-L507 WeakPolarHBondContact O-CG 3.48Å; I503-L507 PolarHBondContact O-N 3.11Å; S504-L507 PolarHBondContact O-N 3.4Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 2.96Å; L507-A510 PolarHBondContact O-N 3.48Å; L507-V511 WeakPolarHBondContact O-CB 3.37Å; L507-V511 VanDerWaalsContact O-CG2 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.35Å; L507-V511 PolarHBondContact O-N 3.37Å
508N57.5Low50.9Low98 Ų9865.3 Ų65.352%0.52437%0.368SS..Hα-helixtrans-62.7-40.3178.3-72.6-29.3000112S504 N505 V511 S512S504-N508 WeakPolarHBondContact O-CB 3.24Å; S504-N508 VanDerWaalsContact O-CG 3.24Å; S504-N508 PolarHBondContact O-N 3.5Å; S504-N508 PolarHBondContact O-ND2 3.15Å; N505-N508 PolarHBondContact O-N 2.96Å; N508-V511 PolarHBondContact O-N 2.82Å; N508-S512 VanDerWaalsContact O-CB 3.29Å; N508-S512 WeakPolarHBondContact O-CB 3.32Å; N508-S512 PolarHBondContact O-N 3.42Å
509S59.6Low50.8Low52 Ų5266.8 Ų66.836%0.36437%0.374SS..Hα-helixtrans-65.5-43.4174.7-174.30000111.4N505 A506 L507 S512 V513N505-S509 VanDerWaalsContact O-CB 3.3Å; N505-S509 WeakPolarHBondContact O-CB 3.42Å; N505-S509 PolarHBondContact O-N 2.78Å; A506-S509 PolarHBondContact O-N 3.12Å; L507-S509 VanDerWaalsContact C-N 3.33Å; L507-S509 PolarHBondContact O-N 2.96Å; S509-S512 WeakPolarHBondContact O-CB 3.44Å; S509-S512 PolarHBondContact O-N 3.01Å; S509-V513 WeakPolarHBondContact O-CG2 3.31Å; S509-V513 PolarHBondContact O-N 3.22Å
510A55.2Low50.7Low0 Ų069.2 Ų69.20%039%0.392CS..Hα-helixtrans-63.8-43.5176.800000111.8L121 A506 L507 S512 V513 V514L121-A510 HydrophobicContact CD1-CB 4Å; A506-A510 VanDerWaalsContact O-CB 3.3Å; A506-A510 WeakPolarHBondContact O-CB 3.43Å; A506-A510 PolarHBondContact O-N 3.3Å; L507-A510 PolarHBondContact O-N 3.48Å; A510-S512 VanDerWaalsContact C-N 3.33Å; A510-S512 PolarHBondContact O-N 2.94Å; A510-V513 PolarHBondContact O-N 2.68Å; A510-V514 VanDerWaalsContact O-CG2 3.25Å; A510-V514 WeakPolarHBondContact O-CG2 3.34Å; A510-V514 PolarHBondContact O-N 3.12Å
511V56.8Low50.5Low68 Ų6868.8 Ų68.841%0.41239%0.391SS..Hα-helixtrans-60.1-44.4173.41710000110.3L121 L507 N508 V513 V514 T515L121-V511 HydrophobicContact CD1-CG2 4.11Å; L507-V511 WeakPolarHBondContact O-CB 3.37Å; L507-V511 VanDerWaalsContact O-CG2 3.24Å; L507-V511 WeakPolarHBondContact O-CG2 3.35Å; L507-V511 PolarHBondContact O-N 3.37Å; N508-V511 PolarHBondContact O-N 2.82Å; V511-V513 PolarHBondContact O-N 2.76Å; V511-V514 PolarHBondContact O-N 2.97Å; V511-T515 HydrophobicContact CG1-CG2 4.33Å; V511-T515 WeakPolarHBondContact O-CG2 3.15Å; V511-T515 PolarHBondContact O-N 3.32Å; V511-T515 PolarHBondContact O-OG1 2.86Å; V511-T515 VanDerWaalsContact O-OG1 3.12Å
512S56.4Low49.9Very low70 Ų7068.9 Ų68.949%0.4940%0.397SS..Hα-helixtrans-62.5-39.4176.4-176.20000113.1N508 S509 A510 T515 S516N508-S512 VanDerWaalsContact O-CB 3.29Å; N508-S512 WeakPolarHBondContact O-CB 3.32Å; N508-S512 PolarHBondContact O-N 3.42Å; S509-S512 WeakPolarHBondContact O-CB 3.44Å; S509-S512 PolarHBondContact O-N 3.01Å; A510-S512 VanDerWaalsContact C-N 3.33Å; A510-S512 PolarHBondContact O-N 2.94Å; S512-T515 WeakPolarHBondContact CA-OG1 3.29Å; S512-T515 PolarHBondContact O-N 3.49Å; S512-T515 PolarHBondContact O-OG1 3.49Å; S512-S516 VanDerWaalsContact O-CB 3.31Å; S512-S516 WeakPolarHBondContact O-CB 3.41Å; S512-S516 PolarHBondContact O-N 2.87Å; S512-S516 PolarHBondContact O-OG 3.19Å
513V58Low49.2Very low15 Ų1572.1 Ų72.19%0.09142%0.416CS..Hα-helixtrans-67.7-41.8175172.60000111Y124 S509 A510 V511 S516 N517Y124-V513 HydrophobicContact CD1-CG1 3.55Å; Y124-V513 HydrophobicContact CE1-CG1 3.84Å; Y124-V513 HydrophobicContact CG-CG1 3.93Å; S509-V513 WeakPolarHBondContact O-CG2 3.31Å; S509-V513 PolarHBondContact O-N 3.22Å; A510-V513 PolarHBondContact O-N 2.68Å; V511-V513 PolarHBondContact O-N 2.76Å; V513-S516 WeakPolarHBondContact CA-OG 3.44Å; V513-S516 PolarHBondContact O-OG 2.88Å; V513-S516 VanDerWaalsContact O-OG 3.06Å; V513-N517 WeakPolarHBondContact O-CB 3.48Å; V513-N517 PolarHBondContact O-N 3.02Å
514V54.9Low48.5Very low31 Ų3173.4 Ų73.419%0.18843%0.431CS..Hα-helixtrans-61.7-48.8174.6172.30000110.2Y124 A510 V511 N517 F518Y124-V514 HydrophobicContact CD2-CG2 3.54Å; Y124-V514 HydrophobicContact CE2-CG2 4.22Å; Y124-V514 HydrophobicContact CG-CG2 4.33Å; A510-V514 VanDerWaalsContact O-CG2 3.25Å; A510-V514 WeakPolarHBondContact O-CG2 3.34Å; A510-V514 PolarHBondContact O-N 3.12Å; V511-V514 PolarHBondContact O-N 2.97Å; V514-N517 PolarHBondContact O-N 3.09Å; V514-F518 HydrophobicContact CG1-CD2 3.97Å; V514-F518 HydrophobicContact CG1-CE2 4.26Å; V514-F518 WeakPolarHBondContact O-CD2 3.34Å; V514-F518 PolarHBondContact O-N 3.24Å; V514-F518 VanDerWaalsContact O-N 3.09Å
515T55Low47.4Very low71 Ų7175.7 Ų75.744%0.43645%0.447SS..Hα-helixtrans-65.5-41.8-17955.30000112V511 S512 N517 F518 V519V511-T515 HydrophobicContact CG1-CG2 4.33Å; V511-T515 WeakPolarHBondContact O-CG2 3.15Å; V511-T515 PolarHBondContact O-N 3.32Å; V511-T515 PolarHBondContact O-OG1 2.86Å; V511-T515 VanDerWaalsContact O-OG1 3.12Å; S512-T515 WeakPolarHBondContact CA-OG1 3.29Å; S512-T515 PolarHBondContact O-N 3.49Å; S512-T515 PolarHBondContact O-OG1 3.49Å; T515-N517 PolarHBondContact O-N 2.82Å; T515-F518 PolarHBondContact O-N 3.5Å; T515-V519 WeakPolarHBondContact O-CB 3.36Å; T515-V519 WeakPolarHBondContact O-CG2 3.37Å; T515-V519 PolarHBondContact O-N 3.48Å
516S53.1Low46.1Very low53 Ų5377 Ų7737%0.37146%0.463SS..Hα-helixtrans-64.8-39.1177.753.10000113.2S512 V513 T520S512-S516 VanDerWaalsContact O-CB 3.31Å; S512-S516 WeakPolarHBondContact O-CB 3.41Å; S512-S516 PolarHBondContact O-N 2.87Å; S512-S516 PolarHBondContact O-OG 3.19Å; V513-S516 WeakPolarHBondContact CA-OG 3.44Å; V513-S516 PolarHBondContact O-OG 2.88Å; V513-S516 VanDerWaalsContact O-OG 3.06Å; S516-T520 PolarHBondContact O-N 3.45Å; S516-T520 PolarHBondContact O-OG1 3.2Å
517N49.8Very low45Very low60 Ų6081.6 Ų81.632%0.32149%0.493SS..Hα-helixtrans-73.4-24.1177.4-72.3-12.9000113.3Y124 V513 V514 T515Y124-N517 PolarHBondContact OH-ND2 3.2Å; V513-N517 WeakPolarHBondContact O-CB 3.48Å; V513-N517 PolarHBondContact O-N 3.02Å; V514-N517 PolarHBondContact O-N 3.09Å; T515-N517 PolarHBondContact O-N 2.82Å
518F40.4Very low44.2Very low138 Ų13883.6 Ų83.661%0.60551%0.514SS*.Hα-helixtrans-89.2-21174.8-87.9-82.1000113.9V514 T515 P521V514-F518 HydrophobicContact CG1-CD2 3.97Å; V514-F518 HydrophobicContact CG1-CE2 4.26Å; V514-F518 WeakPolarHBondContact O-CD2 3.34Å; V514-F518 PolarHBondContact O-N 3.24Å; V514-F518 VanDerWaalsContact O-N 3.09Å; T515-F518 PolarHBondContact O-N 3.5Å; F518-P521 WeakPolarHBondContact O-CD 3.33Å
519V39.4Very low43.1Very low82 Ų8284.5 Ų84.550%0.49753%0.527SS..Hα-helixtrans-86-22178.9172.10000112.5T515 L522 L523T515-V519 WeakPolarHBondContact O-CB 3.36Å; T515-V519 WeakPolarHBondContact O-CG2 3.37Å; T515-V519 PolarHBondContact O-N 3.48Å; V519-L522 PolarHBondContact O-N 3.28Å; V519-L523 HydrophobicContact CG1-CD1 4.3Å
520T37.5Very low41.8Very low102 Ų10287.1 Ų87.163%0.62655%0.546SS*.THydrogen-bonded Turntrans-79.6-14.4-174.930.70000117.6S516S516-T520 PolarHBondContact O-N 3.45Å; S516-T520 PolarHBondContact O-OG1 3.2Å
521P33.5Very low40.8Very low91 Ų9194 Ų9459%0.59159%0.588SS**THydrogen-bonded Turntrans-87.5-5.9167.6-8.626.6000114.7F518F518-P521 WeakPolarHBondContact O-CD 3.33Å
522L31Very low39.6Very low140 Ų14095.2 Ų95.273%0.73361%0.605SS**SBendtrans-96.4-1.9-172.9-88.6155.1000114.8V519V519-L522 PolarHBondContact O-N 3.28Å
523L34.4Very low38.6Very low141 Ų14196.3 Ų96.374%0.73862%0.618SS**SBendtrans-122.77.6-173.2-76.9159.6000114.8V519V519-L523 HydrophobicContact CG1-CD1 4.3Å
524S31.7Very low37.5Very low103 Ų103100.6 Ų100.672%0.7265%0.649SS**SBendtrans-105.66.4-178.257.10000115.4
525S30.6Very low36.8Very low101 Ų101104.6 Ų104.671%0.70668%0.678SS**SBendtrans-118.266.8175.966.10000112.2
526S28.3Very low35.8Very low107 Ų107107 Ų10775%0.74870%0.695SS**  trans-174.385.1161.938.70000111.9
527S30.6Very low35Very low118 Ų118111.3 Ų111.383%0.82572%0.718SS**  trans-179.497153.131.30000111.5
528S34.4Very low34.3Very low115 Ų115113 Ų11380%0.80474%0.736SS**  trans-175.5108.4140.427.10000112.3
529S33.6Very low34Very low116 Ų116111.5 Ų111.581%0.81174%0.742SS**  trans80.5107.3132.1700000120.4
530S32.6Very low33.9Very low108 Ų108112.2 Ų112.276%0.75575%0.75SS**  trans-46.1143.915451.20000114.7
531V35.9Very low33.7Very low144 Ų144114.6 Ų114.687%0.87376%0.759SS**  178.6136.9111.7157.60000108.7
532A30.9Very low33.7Very low94 Ų94115 Ų11578%0.77777%0.765SS**  trans-83.3152.7-173.700000114
533A34.4Very low33.7Very low92 Ų92115.7 Ų115.776%0.7677%0.767SS**  trans-174.8103.1137.100000112.6
534S36.5Very low33.5Very low106 Ų106120.6 Ų120.674%0.74178%0.776SS**  trans37.3122131.7640000123.1
535S38.5Very low33.5Very low114 Ų114121.2 Ų121.280%0.79778%0.776SS**  110.3129.9128.3-55.70000119
536P35.7Very low33.6Very low121 Ų121123 Ų12379%0.78678%0.782SS**  trans-107.8155.7-168.740.2-31.4000114.3
537V36.2Very low33.9Very low144 Ų144124.3 Ų124.387%0.87378%0.78SS**  trans-143.9133.3157.51800000110.5
538S33.3Very low34.2Very low97 Ų97127 Ų12768%0.67878%0.78SS**  trans-45148.7171.350.60000117.4
539S36Very low34.2Very low106 Ų106125 Ų12574%0.74178%0.778SS**  158.7121.7109.851.80000113.9
540S35.8Very low34.3Very low96 Ų96126.8 Ų126.867%0.67178%0.777SS**  trans25.1131.7139.757.10000123.4
541N34.3Very low34.6Very low152 Ų152130.2 Ų130.281%0.81378%0.781SS**  92.5125.5129.3-72.9-6.9000122.2
542S32.7Very low34.7Very low101 Ų101131 Ų13171%0.70678%0.78SS**  trans86.2103.6132.248.70000122.5
543I30.3Very low35.4Very low154 Ų154131.6 Ų131.679%0.7978%0.776SS**  51.7126.8116.6-56.2164000120.4
544R32Very low35.8Very low243 Ų243132.1 Ų132.192%0.91777%0.772SS**  trans-158.799.2144.5-101.2179.2179.6-171-1.3109.5
545T30.5Very low36.2Very low117 Ų117133.2 Ų133.272%0.71877%0.774SS**  48.5125.388.113.70000118.9
546V33.6Very low36.7Very low138 Ų138133.9 Ų133.984%0.83677%0.773SS**  trans-161.1105.2136.8-177.90000107.6
547N34.1Very low37.5Very low134 Ų134138.4 Ų138.472%0.71780%0.799SS**  81.4133.992.7-113.836.3000112.9
548E37.3Very low37.5Very low175 Ų175138.1 Ų138.182%0.81880%0.796SS**  cis-156.6139.827.5-68.5175159.800110
549G34.3Very low37.7Very low74 Ų74140.3 Ų140.376%0.76380%0.802SS**  102.7133.799.500000111.3
550I36.3Very low37.8Very low152 Ų152142.2 Ų142.278%0.77981%0.805SS**  cis-168143.131.7-84.8167.5000109
551E38.7Very low38Very low180 Ų180144.9 Ų144.984%0.84181%0.813SS**  trans66.885.4152.6-70.3166.4-172.300123.9
552D38.3Very low38.2Very low160 Ų160144.4 Ų144.486%0.85681%0.813SS**  25.4158.6108.6-92-6.8000125.4
553P44.4Very low38.6Very low108 Ų108147.3 Ų147.370%0.70182%0.82SS**  trans-134.4-125.8-132.439.8-14.8000111.4
554P43.2Very low39.2Very low103 Ų103146.9 Ų146.967%0.66982%0.822SS**  cis-130.6176.8-42.635.1-17.6000113.4
555T44.9Very low39.7Very low129 Ų129139.5 Ų139.579%0.79182%0.815SS**  trans-162.1122.914713.10000114
556T48.4Very low40.5Very low127 Ų127141.3 Ų141.378%0.77982%0.823SS**  trans42.6122.8140.149.80000119.2
557T52.3Low41.1Very low216 Ų216141.6 Ų141.6100%1.32582%0.822SS**  -149.1050.541.30000113.3

Retrieved 557 of 557 residues in 727.9 ms (Link to these results)

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