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Sodium/iodide cotransporter

Sodium:iodide symporter that mediates the transport of iodide into the thyroid gland1,2,3. Can also mediate the transport of chlorate, thiocynate, nitrate and selenocynate (By similarity).

AlphaFold DB , UniProt , Accession Q99PN0, Species MOUSE (Mus musculus, Mouse), Gene Slc5a5, Length 618 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
1M36.2Very low43.5Very low218 Ų218122.8 Ų122.8100%1.07476%0.759SS**  039.50-55.4-177.8173.700109
2E31.9Very low46.7Very low179 Ų179113.8 Ų113.884%0.83670%0.701SS**  8710373.8-83.1149.8134.200109.8
3G29.2Very low49.5Very low71 Ų71106.8 Ų106.873%0.73267%0.665SS**  trans-72134.2177.400000110E5G3-E5 PolarHBondContact O-N 3.08Å
4A29.6Very low52.2Low106 Ų106107.2 Ų107.288%0.87667%0.67SS**  trans-65.5103.316000000107.6A6A4-A6 PolarHBondContact O-N 3.25Å
5E29.6Very low54.9Low178 Ų178112.5 Ų112.583%0.83267%0.672SS**  trans-53.3133168.9-65.5-177.9136.600108.7G3 G7G3-E5 PolarHBondContact O-N 3.08Å; E5-G7 PolarHBondContact O-N 2.88Å
6A33.3Very low57.1Low98 Ų98105.9 Ų105.981%0.8163%0.632SS**  trans-59.6111.8171.700000107.4A4 A8A4-A6 PolarHBondContact O-N 3.25Å; A6-A8 PolarHBondContact O-N 3.15Å
7G37.6Very low59Low73 Ų73105.6 Ų105.675%0.75362%0.618SS**  trans-41.9113.5-162.300000112.6E5 R9E5-G7 PolarHBondContact O-N 2.88Å; G7-R9 PolarHBondContact O-N 3.3Å; G7-R9 VanDerWaalsContact O-N 3.15Å
8A46.7Very low60.9Low93 Ų93101.6 Ų101.677%0.76960%0.603SS**PPolyproline II helixtrans-55.2122.6-177.400000108.7A6 A10A6-A8 PolarHBondContact O-N 3.15Å; A8-A10 PolarHBondContact O-N 3.17Å
9R59.6Low62.6Low205 Ų20599.1 Ų99.177%0.77459%0.589SS**PPolyproline II helixtrans-57125.3179.1-73178.8173.8160.3-3.3108.5G7 T11G7-R9 PolarHBondContact O-N 3.3Å; G7-R9 VanDerWaalsContact O-N 3.15Å; R9-T11 PolarHBondContact O-N 3.4Å
10A67.1Low64Low45 Ų4595 Ų9537%0.37256%0.563SS.*PPolyproline II helixtrans-53125.2172.600000109A8 L330A8-A10 PolarHBondContact O-N 3.17Å; A10-L330 HydrophobicContact CB-CB 4.49Å; A10-L330 HydrophobicContact CB-CD2 4.49Å
11T77.8Confident65.4Low85 Ų8592.5 Ų92.552%0.52155%0.553SS.*  trans-124.8156.7-178.841.30000109.7R9 G13 V159R9-T11 PolarHBondContact O-N 3.4Å; T11-G13 PolarHBondContact O-N 3.32Å; T11-V159 CarbonylContact C-O 3.31Å; T11-V159 WeakPolarHBondContact CA-O 3.25Å
12F81.3Confident68.1Low15 Ų1586.1 Ų86.17%0.06653%0.526CS..  trans-54.9128.2-177.1-89.521.7000113.3D16 Y17 V159 T160 L330 P340 L344F12-D16 HydrophobicContact CB-CB 3.89Å; F12-D16 HydrophobicContact CD1-CB 4.12Å; F12-D16 HydrophobicContact CD2-CB 3.42Å; F12-D16 VanDerWaalsContact CD2-CB 3.42Å; F12-D16 HydrophobicContact CE2-CB 3.85Å; F12-D16 HydrophobicContact CG-CB 3.56Å; F12-D16 HydrophobicContact CZ-CB 4.39Å; F12-Y17 HydrophobicContact CB-CD2 4.36Å; F12-Y17 HydrophobicContact CB-CE2 3.8Å; F12-V159 HydrophobicContact CD1-CB 3.58Å; F12-V159 HydrophobicContact CD1-CG2 3.7Å; F12-V159 HydrophobicContact CD2-CG2 3.96Å; F12-V159 HydrophobicContact CE1-CB 3.32Å; F12-V159 HydrophobicContact CE1-CG1 3.93Å; F12-V159 HydrophobicContact CE1-CG2 3.39Å; F12-V159 HydrophobicContact CE2-CG2 3.69Å; F12-V159 HydrophobicContact CG-CB 4.3Å; F12-V159 HydrophobicContact CG-CG2 3.99Å; F12-V159 HydrophobicContact CZ-CB 3.85Å; F12-V159 HydrophobicContact CZ-CG1 4.36Å; F12-V159 HydrophobicContact CZ-CG2 3.38Å; F12-V159 PolarHBondContact N-O 2.86Å; F12-T160 HydrophobicContact CD2-CG2 4.41Å; F12-L330 HydrophobicContact CD1-CD2 4.47Å; F12-L330 HydrophobicContact CE1-CD2 4.47Å; F12-P340 HydrophobicContact CD1-CB 3.93Å; F12-P340 HydrophobicContact CE1-CB 3.29Å; F12-P340 HydrophobicContact CZ-CB 3.9Å; F12-P340 WeakPolarHBondContact CZ-O 3.48Å; F12-L344 HydrophobicContact CD2-CD2 4.36Å; F12-L344 HydrophobicContact CE2-CB 3.78Å; F12-L344 HydrophobicContact CE2-CD2 3.59Å; F12-L344 HydrophobicContact CE2-CG 4.25Å; F12-L344 HydrophobicContact CZ-CB 3.88Å; F12-L344 HydrophobicContact CZ-CD2 4.4Å
13G83.4Confident71.1Confident22 Ų2278 Ų7823%0.22749%0.488CS..  trans-80.8170170.700000112T11 W15 D16 Y17T11-G13 PolarHBondContact O-N 3.32Å; G13-W15 PolarHBondContact O-N 2.88Å; G13-W15 VanDerWaalsContact O-N 3.11Å; G13-D16 PolarHBondContact N-OD2 2.89Å; G13-D16 WeakPolarHBondContact O-CB 3.44Å; G13-D16 PolarHBondContact O-N 2.98Å; G13-Y17 VanDerWaalsContact O-CD2 3.31Å; G13-Y17 WeakPolarHBondContact O-CD2 3.28Å; G13-Y17 PolarHBondContact O-N 3.08Å
14P88.1Confident74Confident113 Ų11376 Ų7673%0.73446%0.461SS*.Hα-helixtrans-54.8-32.4178.8-27.435.8000114.2G18P14-G18 PolarHBondContact O-N 2.93Å
15W92Very high77Confident187 Ų18777.1 Ų77.171%0.70845%0.451SS*.Hα-helixtrans-66.4-35.1177.1-64110.9000113.1G13 G18 V19 P337G13-W15 PolarHBondContact O-N 2.88Å; G13-W15 VanDerWaalsContact O-N 3.11Å; W15-G18 PolarHBondContact O-N 3.41Å; W15-V19 WeakPolarHBondContact O-CG2 3.49Å; W15-V19 PolarHBondContact O-N 3.42Å; W15-P337 HydrophobicContact CB-CB 4.27Å; W15-P337 HydrophobicContact CG-CB 4.48Å
16D90.8Very high80Confident6 Ų671.4 Ų71.43%0.03243%0.429CS..Hα-helixtrans-66.9-44178.3-60.1-62.1000111.3F12 G13 G18 V19 F20 G338 P340 G341F12-D16 HydrophobicContact CB-CB 3.89Å; F12-D16 HydrophobicContact CD1-CB 4.12Å; F12-D16 HydrophobicContact CD2-CB 3.42Å; F12-D16 VanDerWaalsContact CD2-CB 3.42Å; F12-D16 HydrophobicContact CE2-CB 3.85Å; F12-D16 HydrophobicContact CG-CB 3.56Å; F12-D16 HydrophobicContact CZ-CB 4.39Å; G13-D16 PolarHBondContact N-OD2 2.89Å; G13-D16 WeakPolarHBondContact O-CB 3.44Å; G13-D16 PolarHBondContact O-N 2.98Å; D16-G18 VanDerWaalsContact C-N 3.31Å; D16-G18 PolarHBondContact O-N 3.29Å; D16-V19 PolarHBondContact O-N 3.07Å; D16-F20 WeakPolarHBondContact O-CB 3.43Å; D16-F20 PolarHBondContact O-N 3.49Å; D16-G338 VanDerWaalsContact OD1-C 3.24Å; D16-G338 WeakPolarHBondContact OD1-CA 3.2Å; D16-G338 PolarHBondContact OD1-N 2.98Å; D16-P340 WeakPolarHBondContact OD1-CB 3.48Å; D16-P340 VanDerWaalsContact OD1-CD 3.23Å; D16-P340 WeakPolarHBondContact OD1-CD 3.3Å; D16-G341 WeakPolarHBondContact O-CA 3.44Å; D16-G341 PolarHBondContact OD1-N 3.41Å
17Y89.2Confident82.7Confident101 Ų10166.8 Ų66.840%0.39639%0.39SS..Hα-helixtrans-60.9-39.4170.8-66.8-76.1000111.9F12 G13 F20 A21 T160F12-Y17 HydrophobicContact CB-CD2 4.36Å; F12-Y17 HydrophobicContact CB-CE2 3.8Å; G13-Y17 VanDerWaalsContact O-CD2 3.31Å; G13-Y17 WeakPolarHBondContact O-CD2 3.28Å; G13-Y17 PolarHBondContact O-N 3.08Å; Y17-F20 PolarHBondContact O-N 3.31Å; Y17-A21 WeakPolarHBondContact O-CB 3.46Å; Y17-A21 PolarHBondContact O-N 3.19Å; Y17-T160 HydrophobicContact CE1-CG2 3.96Å; Y17-T160 WeakPolarHBondContact OH-CB 3.37Å; Y17-T160 VanDerWaalsContact OH-CG2 3.29Å; Y17-T160 WeakPolarHBondContact OH-CG2 3.24Å
18G92.7Very high85Confident33 Ų3365.9 Ų65.934%0.3437%0.37SS..Hα-helixtrans-62.1-46.4176.800000113.4P14 W15 D16 T22P14-G18 PolarHBondContact O-N 2.93Å; W15-G18 PolarHBondContact O-N 3.41Å; D16-G18 VanDerWaalsContact C-N 3.31Å; D16-G18 PolarHBondContact O-N 3.29Å; G18-T22 WeakPolarHBondContact O-CB 3.37Å; G18-T22 PolarHBondContact O-N 2.86Å; G18-T22 PolarHBondContact O-OG1 3.11Å
19V93.3Very high87Confident55 Ų5563.1 Ų63.133%0.33335%0.351SS..Hα-helixtrans-63.5-46.3176171.50000110.9W15 D16 T22 M23 L342W15-V19 WeakPolarHBondContact O-CG2 3.49Å; W15-V19 PolarHBondContact O-N 3.42Å; D16-V19 PolarHBondContact O-N 3.07Å; V19-T22 WeakPolarHBondContact O-CB 3.45Å; V19-T22 PolarHBondContact O-N 3.22Å; V19-M23 PolarHBondContact O-N 2.87Å; V19-M23 VanDerWaalsContact O-N 3.11Å; V19-L342 HydrophobicContact CG1-CB 4.15Å
20F91.6Very high88.4Confident17 Ų1755.4 Ų55.48%0.07532%0.324CS..Hα-helixtrans-62.9-47.8178.6176.3-124.4000112.6D16 Y17 T22 M23 L24 L344 A345 Y348D16-F20 WeakPolarHBondContact O-CB 3.43Å; D16-F20 PolarHBondContact O-N 3.49Å; Y17-F20 PolarHBondContact O-N 3.31Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.24Å; F20-M23 PolarHBondContact O-N 2.97Å; F20-L24 HydrophobicContact CD1-CD1 4.37Å; F20-L24 HydrophobicContact CE1-CD1 3.81Å; F20-L24 HydrophobicContact CE2-CD1 4.11Å; F20-L24 HydrophobicContact CE2-CD2 4.24Å; F20-L24 HydrophobicContact CE2-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.67Å; F20-L24 HydrophobicContact CZ-CD2 4.35Å; F20-L24 HydrophobicContact CZ-CG 4.16Å; F20-L24 PolarHBondContact O-N 2.83Å; F20-L24 VanDerWaalsContact O-N 3.13Å; F20-L344 HydrophobicContact CB-CD2 4.25Å; F20-L344 HydrophobicContact CD1-CD2 3.65Å; F20-L344 HydrophobicContact CD2-CB 4.4Å; F20-L344 HydrophobicContact CD2-CD2 3.91Å; F20-L344 HydrophobicContact CD2-CG 3.93Å; F20-L344 HydrophobicContact CE1-CD2 3.89Å; F20-L344 HydrophobicContact CE2-CD2 4.16Å; F20-L344 HydrophobicContact CE2-CG 4.05Å; F20-L344 HydrophobicContact CG-CD2 3.66Å; F20-L344 HydrophobicContact CG-CG 4.19Å; F20-L344 HydrophobicContact CZ-CD2 4.14Å; F20-L344 HydrophobicContact CZ-CG 4.38Å; F20-A345 HydrophobicContact CD2-CB 4.38Å; F20-Y348 AromaticContact CE2-CD1 3.86Å; F20-Y348 HydrophobicContact CE2-CD1 3.86Å; F20-Y348 AromaticContact CE2-CD2 3.65Å; F20-Y348 HydrophobicContact CE2-CD2 3.65Å; F20-Y348 HydrophobicContact CE2-CE1 4.34Å; F20-Y348 HydrophobicContact CE2-CE2 4.17Å; F20-Y348 AromaticContact CE2-CG 3.47Å; F20-Y348 HydrophobicContact CE2-CG 3.47Å; F20-Y348 VanDerWaalsContact CE2-CG 3.47Å; F20-Y348 AromaticContact CZ-CD1 3.71Å; F20-Y348 HydrophobicContact CZ-CD1 3.71Å; F20-Y348 AromaticContact CZ-CD2 3.81Å; F20-Y348 HydrophobicContact CZ-CD2 3.81Å; F20-Y348 AromaticContact CZ-CE1 3.74Å; F20-Y348 HydrophobicContact CZ-CE1 3.74Å; F20-Y348 AromaticContact CZ-CE2 3.85Å; F20-Y348 HydrophobicContact CZ-CE2 3.85Å; F20-Y348 AromaticContact CZ-CG 3.74Å; F20-Y348 HydrophobicContact CZ-CG 3.74Å; F20-Y348 AromaticContact CZ-CZ 3.8Å
21A92Very high89.2Confident43 Ų4353.6 Ų53.636%0.35531%0.311SS..Hα-helixtrans-61.1-37.7176.500000111.9Y17 L24 L25Y17-A21 WeakPolarHBondContact O-CB 3.46Å; Y17-A21 PolarHBondContact O-N 3.19Å; A21-L24 PolarHBondContact O-N 2.94Å; A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 VanDerWaalsContact O-CG 3.29Å; A21-L25 WeakPolarHBondContact O-CG 3.26Å; A21-L25 PolarHBondContact O-N 2.98Å
22T93.8Very high89.5Confident83 Ų8353.1 Ų53.151%0.50930%0.304SS..Hα-helixtrans-61.4-44.6175.5-59.90000111.5G18 V19 F20 L24 L25 V26G18-T22 WeakPolarHBondContact O-CB 3.37Å; G18-T22 PolarHBondContact O-N 2.86Å; G18-T22 PolarHBondContact O-OG1 3.11Å; V19-T22 WeakPolarHBondContact O-CB 3.45Å; V19-T22 PolarHBondContact O-N 3.22Å; F20-T22 VanDerWaalsContact C-N 3.28Å; F20-T22 PolarHBondContact O-N 3.24Å; T22-L24 VanDerWaalsContact C-N 3.35Å; T22-L24 PolarHBondContact O-N 3.14Å; T22-L25 PolarHBondContact O-N 2.87Å; T22-V26 HydrophobicContact CG2-CG2 4.37Å; T22-V26 WeakPolarHBondContact O-CB 3.47Å; T22-V26 VanDerWaalsContact O-CG2 3.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 2.64Å
23M93.6Very high89.8Confident9 Ų960.3 Ų60.34%0.04433%0.331CS..Hα-helixtrans-59.5-43.7174.9171.4-80.1173.800111.9V19 F20 V26 S27 F193 Q194 V197 A345 S349 L352V19-M23 PolarHBondContact O-N 2.87Å; V19-M23 VanDerWaalsContact O-N 3.11Å; F20-M23 PolarHBondContact O-N 2.97Å; M23-V26 PolarHBondContact O-N 2.97Å; M23-S27 WeakPolarHBondContact CE-OG 3.48Å; M23-S27 WeakPolarHBondContact O-CB 3.42Å; M23-S27 PolarHBondContact O-N 3.4Å; M23-S27 PolarHBondContact O-OG 3.14Å; M23-F193 HydrophobicContact CG-CE1 4.25Å; M23-Q194 HydrophobicContact CE-CG 3.93Å; M23-V197 HydrophobicContact CG-CG1 4.31Å; M23-A345 HydrophobicContact CB-CB 3.85Å; M23-A345 HydrophobicContact CG-CB 3.92Å; M23-S349 WeakPolarHBondContact CE-OG 3.45Å; M23-L352 HydrophobicContact CE-CD1 3.98Å
24L91.5Very high89.7Confident30 Ų3059.6 Ų59.616%0.15732%0.322CS..Hα-helixtrans-65.1-42.7179.4-68.4178.5000111.8F20 A21 T22 S27 T28 I174 L352F20-L24 HydrophobicContact CD1-CD1 4.37Å; F20-L24 HydrophobicContact CE1-CD1 3.81Å; F20-L24 HydrophobicContact CE2-CD1 4.11Å; F20-L24 HydrophobicContact CE2-CD2 4.24Å; F20-L24 HydrophobicContact CE2-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.67Å; F20-L24 HydrophobicContact CZ-CD2 4.35Å; F20-L24 HydrophobicContact CZ-CG 4.16Å; F20-L24 PolarHBondContact O-N 2.83Å; F20-L24 VanDerWaalsContact O-N 3.13Å; A21-L24 PolarHBondContact O-N 2.94Å; T22-L24 VanDerWaalsContact C-N 3.35Å; T22-L24 PolarHBondContact O-N 3.14Å; L24-S27 PolarHBondContact O-N 3.35Å; L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.14Å; L24-T28 PolarHBondContact O-N 3.09Å; L24-T28 PolarHBondContact O-OG1 3.21Å; L24-I174 HydrophobicContact CD1-CD1 4.3Å; L24-I174 HydrophobicContact CD1-CG2 4.4Å; L24-I174 HydrophobicContact CD2-CG2 3.87Å; L24-L352 HydrophobicContact CD2-CD1 3.73Å
25L92Very high89Confident128 Ų12855.2 Ų55.267%0.6730%0.297SS*.Hα-helixtrans-65.8-42.9177.6-72172.3000111.9A21 T22 G29A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 VanDerWaalsContact O-CG 3.29Å; A21-L25 WeakPolarHBondContact O-CG 3.26Å; A21-L25 PolarHBondContact O-N 2.98Å; T22-L25 PolarHBondContact O-N 2.87Å; L25-G29 WeakPolarHBondContact O-CA 3.06Å; L25-G29 PolarHBondContact O-N 3.43Å
26V92.6Very high88.3Confident59 Ų5952.5 Ų52.536%0.35830%0.296SS..Hα-helixtrans-65-45.7175.5172.80000110.8T22 M23 T28 G29 I30 F193T22-V26 HydrophobicContact CG2-CG2 4.37Å; T22-V26 WeakPolarHBondContact O-CB 3.47Å; T22-V26 VanDerWaalsContact O-CG2 3.31Å; T22-V26 WeakPolarHBondContact O-CG2 3.48Å; T22-V26 PolarHBondContact O-N 2.64Å; M23-V26 PolarHBondContact O-N 2.97Å; V26-T28 PolarHBondContact O-N 3.49Å; V26-G29 PolarHBondContact O-N 2.97Å; V26-I30 HydrophobicContact CG1-CD1 3.83Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.29Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.34Å; V26-F193 HydrophobicContact CB-CE1 4.08Å; V26-F193 HydrophobicContact CB-CZ 3.93Å; V26-F193 HydrophobicContact CG1-CD1 4.21Å; V26-F193 HydrophobicContact CG1-CD2 4.21Å; V26-F193 HydrophobicContact CG1-CE1 3.72Å; V26-F193 HydrophobicContact CG1-CE2 3.73Å; V26-F193 HydrophobicContact CG1-CG 4.44Å; V26-F193 HydrophobicContact CG1-CZ 3.46Å; V26-F193 VanDerWaalsContact CG1-CZ 3.46Å
27S89.3Confident87.1Confident0 Ų055.1 Ų55.10%032%0.318CS..Hα-helixtrans-60.7-48.4178-55.90000111.5M23 L24 G29 I30 G31 T190 F193M23-S27 WeakPolarHBondContact CE-OG 3.48Å; M23-S27 WeakPolarHBondContact O-CB 3.42Å; M23-S27 PolarHBondContact O-N 3.4Å; M23-S27 PolarHBondContact O-OG 3.14Å; L24-S27 PolarHBondContact O-N 3.35Å; S27-G29 VanDerWaalsContact C-N 3.35Å; S27-G29 PolarHBondContact O-N 2.65Å; S27-I30 PolarHBondContact O-N 3.41Å; S27-G31 PolarHBondContact O-N 3.28Å; S27-T190 WeakPolarHBondContact O-CG2 3.37Å; S27-F193 WeakPolarHBondContact OG-CE1 3.48Å
28T86.1Confident85.7Confident54 Ų5458 Ų5833%0.33133%0.329SS..Hα-helixtrans-65.5-38.6178-57.60000111.5L24 V26 G31 L32L24-T28 VanDerWaalsContact O-CB 3.28Å; L24-T28 WeakPolarHBondContact O-CB 3.14Å; L24-T28 PolarHBondContact O-N 3.09Å; L24-T28 PolarHBondContact O-OG1 3.21Å; V26-T28 PolarHBondContact O-N 3.49Å; T28-G31 PolarHBondContact O-N 2.63Å; T28-L32 HydrophobicContact CG2-CD1 3.92Å; T28-L32 HydrophobicContact CG2-CG 4.38Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 WeakPolarHBondContact O-CG 3.4Å; T28-L32 PolarHBondContact O-N 3.45Å
29G89.2Confident84Confident35 Ų3558.4 Ų58.436%0.36133%0.332SS..Hα-helixtrans-62.1-45.1175.700000112.9L25 V26 S27 W33L25-G29 WeakPolarHBondContact O-CA 3.06Å; L25-G29 PolarHBondContact O-N 3.43Å; V26-G29 PolarHBondContact O-N 2.97Å; S27-G29 VanDerWaalsContact C-N 3.35Å; S27-G29 PolarHBondContact O-N 2.65Å; G29-W33 WeakPolarHBondContact O-CB 3.2Å; G29-W33 PolarHBondContact O-N 3.42Å
30I88.4Confident82.3Confident43 Ų4357.5 Ų57.522%0.22133%0.334CS..Hα-helixtrans-60.1-47.5172.8-68.5164.2000110.1V26 S27 W33 V34 W189 T190 F193V26-I30 HydrophobicContact CG1-CD1 3.83Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.29Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.34Å; S27-I30 PolarHBondContact O-N 3.41Å; I30-W33 PolarHBondContact O-N 3.35Å; I30-V34 HydrophobicContact CG2-CG2 4.41Å; I30-V34 WeakPolarHBondContact O-CB 3.41Å; I30-V34 WeakPolarHBondContact O-CG2 3.13Å; I30-V34 PolarHBondContact O-N 3.01Å; I30-W189 HydrophobicContact CG2-CB 4.03Å; I30-T190 HydrophobicContact CB-CG2 4.05Å; I30-T190 HydrophobicContact CG2-CG2 3.81Å; I30-F193 HydrophobicContact CD1-CB 3.8Å; I30-F193 HydrophobicContact CD1-CD1 4.23Å; I30-F193 HydrophobicContact CD1-CD2 4.37Å; I30-F193 HydrophobicContact CD1-CG 3.88Å
31G84.2Confident80.8Confident8 Ų859.1 Ų59.18%0.08234%0.342CS..Hα-helixtrans-61-46.6-179.600000113.3S27 T28 G35 A186S27-G31 PolarHBondContact O-N 3.28Å; T28-G31 PolarHBondContact O-N 2.63Å; G31-G35 PolarHBondContact O-N 3.22Å; G31-A186 WeakPolarHBondContact O-CB 3.33Å
32L84.8Confident79.5Confident74 Ų7466.1 Ų66.139%0.38736%0.359SS..Hα-helixtrans-63-48.4174.7-77.5168.9000111.7T28 V34 G35 L36 V181T28-L32 HydrophobicContact CG2-CD1 3.92Å; T28-L32 HydrophobicContact CG2-CG 4.38Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 WeakPolarHBondContact O-CG 3.4Å; T28-L32 PolarHBondContact O-N 3.45Å; L32-V34 PolarHBondContact O-N 3.14Å; L32-G35 PolarHBondContact O-N 3.3Å; L32-L36 WeakPolarHBondContact O-CB 3.2Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.11Å; L32-V181 HydrophobicContact CD2-CG1 3.5Å; L32-V181 VanDerWaalsContact CD2-CG1 3.5Å; L32-V181 HydrophobicContact CG-CG1 4.16Å
33W86.5Confident78.4Confident167 Ų16763.7 Ų63.763%0.63335%0.345SS*.Hα-helixtrans-61-47.3-179.2178.474.2000111.7G29 I30 G35 L36 A37G29-W33 WeakPolarHBondContact O-CB 3.2Å; G29-W33 PolarHBondContact O-N 3.42Å; I30-W33 PolarHBondContact O-N 3.35Å; W33-G35 VanDerWaalsContact C-N 3.34Å; W33-G35 PolarHBondContact O-N 2.9Å; W33-L36 PolarHBondContact O-N 3.34Å; W33-A37 WeakPolarHBondContact O-CB 3.14Å; W33-A37 PolarHBondContact O-N 3.41Å
34V82Confident77.1Confident7 Ų763.6 Ų63.64%0.04235%0.346CS..Hα-helixtrans-66.3-36.7176.8175.50000111.8I30 L32 K185 W189I30-V34 HydrophobicContact CG2-CG2 4.41Å; I30-V34 WeakPolarHBondContact O-CB 3.41Å; I30-V34 WeakPolarHBondContact O-CG2 3.13Å; I30-V34 PolarHBondContact O-N 3.01Å; L32-V34 PolarHBondContact O-N 3.14Å; V34-K185 HydrophobicContact CG1-CB 3.82Å; V34-W189 HydrophobicContact CG2-CB 4.02Å; V34-W189 HydrophobicContact CG2-CG 4.14Å
35G73.2Confident76.1Confident20 Ų2065.6 Ų65.621%0.20636%0.357CS..Hα-helixtrans-67.4-34.8177.600000114.2G31 L32 W33G31-G35 PolarHBondContact O-N 3.22Å; L32-G35 PolarHBondContact O-N 3.3Å; W33-G35 VanDerWaalsContact C-N 3.34Å; W33-G35 PolarHBondContact O-N 2.9Å
36L76.9Confident75.2Confident130 Ų13062 Ų6268%0.68134%0.339SS*.Hα-helixtrans-93.3-48.6-177-64.2171.2000112.8L32 W33 R38L32-L36 WeakPolarHBondContact O-CB 3.2Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 3.11Å; W33-L36 PolarHBondContact O-N 3.34Å; L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 3.04Å; L36-R38 VanDerWaalsContact O-N 3.14Å
37A66.9Low74.1Confident61 Ų6159.3 Ų59.350%0.50432%0.322SS..Hα-helixtrans-71.9-11.4-16500000115.4W33W33-A37 WeakPolarHBondContact O-CB 3.14Å; W33-A37 PolarHBondContact O-N 3.41Å
38R60.1Low73.3Confident163 Ų16359.3 Ų59.362%0.61532%0.322SS*.THydrogen-bonded Turntrans-107.734-177.7-65.9-168.4174.9-157.3-1114.1L36L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 3.04Å; L36-R38 VanDerWaalsContact O-N 3.14Å
39G55.8Low72.7Confident40 Ų4056.9 Ų56.941%0.41231%0.307SS..SBendtrans83.810.117400000115.2R42G39-R42 WeakPolarHBondContact O-CG 3.49Å; G39-R42 PolarHBondContact O-NE 2.76Å
40G57Low71.9Confident36 Ų3655.2 Ų55.237%0.37129%0.29SS..  trans77.5170.7176.600000115.5R42G40-R42 VanDerWaalsContact C-N 3.32Å; G40-R42 PolarHBondContact O-N 2.92Å
41Q61.6Low71.2Confident51 Ų5154 Ų5424%0.23829%0.289CS..  trans-7678.4175.5-63.9159.6-9.900109.3F47 V181 K388Q41-F47 HydrophobicContact CB-CD2 4.19Å; Q41-F47 VanDerWaalsContact CD-CD2 3.48Å; Q41-F47 HydrophobicContact CG-CD2 3.82Å; Q41-F47 HydrophobicContact CG-CE2 4.46Å; Q41-V181 PolarHBondContact NE2-O 3.4Å; Q41-K388 VanDerWaalsContact OE1-CE 3.29Å
42R64.1Low70.9Confident191 Ų19157.5 Ų57.572%0.72130%0.299SS*.  trans-73.3-31.7-171.5-67.2-174.9179.9-168.8-3.5114.1G39 G40G39-R42 WeakPolarHBondContact O-CG 3.49Å; G39-R42 PolarHBondContact O-NE 2.76Å; G40-R42 VanDerWaalsContact C-N 3.32Å; G40-R42 PolarHBondContact O-N 2.92Å
43S70.6Confident70.8Confident31 Ų3160.7 Ų60.722%0.21731%0.312CS..SBendtrans-134.1163.717874.10000111.8D45 D46 F47S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact OG-N 2.63Å; S43-D46 WeakPolarHBondContact CB-OD2 3.2Å; S43-D46 PolarHBondContact N-OD2 3.25Å; S43-D46 PolarHBondContact O-N 3.1Å; S43-D46 WeakPolarHBondContact OG-CB 3.01Å; S43-D46 VanDerWaalsContact OG-CG 3.27Å; S43-D46 PolarHBondContact OG-N 3.28Å; S43-D46 PolarHBondContact OG-OD2 3.06Å; S43-F47 PolarHBondContact O-N 2.78Å; S43-F47 VanDerWaalsContact O-N 3.09Å
44A66.6Low70.8Confident7 Ų753.4 Ų53.46%0.05829%0.286CS..Hα-helixtrans-66.8-30.4172.600000112F47 F48 L383A44-F47 WeakPolarHBondContact O-CB 3.32Å; A44-F47 PolarHBondContact O-N 2.78Å; A44-F48 HydrophobicContact CB-CD2 4.45Å; A44-F48 HydrophobicContact CB-CE2 4.45Å; A44-F48 WeakPolarHBondContact O-CD2 3.39Å; A44-F48 PolarHBondContact O-N 2.85Å; A44-L383 HydrophobicContact CB-CB 4.01Å; A44-L383 HydrophobicContact CB-CD1 4.23Å
45D70.2Confident71.3Confident73 Ų7355.7 Ų55.739%0.3931%0.305SS..Hα-helixtrans-67.3-46.3173.4-175.736.8000111S43 F47 F48 T49S43-D45 VanDerWaalsContact C-N 3.27Å; S43-D45 PolarHBondContact OG-N 2.63Å; D45-F47 PolarHBondContact O-N 2.67Å; D45-F48 PolarHBondContact O-N 2.98Å; D45-T49 PolarHBondContact O-N 3.17Å; D45-T49 PolarHBondContact O-OG1 2.68Å; D45-T49 WeakPolarHBondContact OD1-CB 3.44Å; D45-T49 WeakPolarHBondContact OD1-CG2 3.22Å; D45-T49 PolarHBondContact OD1-OG1 3.33Å
46D72.7Confident72.4Confident53 Ų5355.1 Ų55.128%0.28330%0.298SS..Hα-helixtrans-56-37.6172-73-63.5000112.7S43 G50S43-D46 WeakPolarHBondContact CB-OD2 3.2Å; S43-D46 PolarHBondContact N-OD2 3.25Å; S43-D46 PolarHBondContact O-N 3.1Å; S43-D46 WeakPolarHBondContact OG-CB 3.01Å; S43-D46 VanDerWaalsContact OG-CG 3.27Å; S43-D46 PolarHBondContact OG-N 3.28Å; S43-D46 PolarHBondContact OG-OD2 3.06Å; D46-G50 VanDerWaalsContact O-CA 3.28Å; D46-G50 WeakPolarHBondContact O-CA 2.8Å; D46-G50 PolarHBondContact O-N 2.84Å
47F70.3Confident73.3Confident2 Ų252.7 Ų52.71%0.00929%0.289CS..Hα-helixtrans-67.2-46.5178.2-172.9-90.6000111.7Q41 S43 A44 D45 G182 M184 N360Q41-F47 HydrophobicContact CB-CD2 4.19Å; Q41-F47 VanDerWaalsContact CD-CD2 3.48Å; Q41-F47 HydrophobicContact CG-CD2 3.82Å; Q41-F47 HydrophobicContact CG-CE2 4.46Å; S43-F47 PolarHBondContact O-N 2.78Å; S43-F47 VanDerWaalsContact O-N 3.09Å; A44-F47 WeakPolarHBondContact O-CB 3.32Å; A44-F47 PolarHBondContact O-N 2.78Å; D45-F47 PolarHBondContact O-N 2.67Å; F47-G182 WeakPolarHBondContact CE2-O 3.42Å; F47-G182 WeakPolarHBondContact CZ-O 3.48Å; F47-M184 WeakPolarHBondContact O-CB 3.34Å; F47-M184 PolarHBondContact O-N 2.95Å; F47-N360 WeakPolarHBondContact CE1-OD1 3.09Å
48F72Confident74.6Confident0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-90.8-36.6-173.1-67.7-51.1000115.1A44 D45 M184 Q267 A363 A364 V367 S387A44-F48 HydrophobicContact CB-CD2 4.45Å; A44-F48 HydrophobicContact CB-CE2 4.45Å; A44-F48 WeakPolarHBondContact O-CD2 3.39Å; A44-F48 PolarHBondContact O-N 2.85Å; D45-F48 PolarHBondContact O-N 2.98Å; F48-M184 WeakPolarHBondContact O-CB 3.39Å; F48-M184 VanDerWaalsContact O-CE 3.24Å; F48-M184 WeakPolarHBondContact O-CE 3.38Å; F48-Q267 PolarHBondContact O-NE2 3.38Å; F48-A363 HydrophobicContact CE1-CB 4.43Å; F48-A364 HydrophobicContact CD1-CB 3.52Å; F48-A364 HydrophobicContact CD2-CB 4.34Å; F48-A364 HydrophobicContact CE1-CB 3.6Å; F48-A364 HydrophobicContact CE2-CB 4.4Å; F48-A364 HydrophobicContact CG-CB 3.91Å; F48-A364 HydrophobicContact CZ-CB 4.04Å; F48-V367 HydrophobicContact CE2-CB 4.28Å; F48-V367 HydrophobicContact CE2-CG1 4.26Å; F48-V367 HydrophobicContact CE2-CG2 4.47Å; F48-V367 HydrophobicContact CZ-CB 4.42Å; F48-V367 HydrophobicContact CZ-CG2 4.27Å; F48-S387 WeakPolarHBondContact CZ-OG 3.46Å
49T72.9Confident76.3Confident2 Ų242.9 Ų42.91%0.01224%0.241CC..Hα-helixtrans-107.6-2.7-177.274.30000113.2D45 G51 R52 A271D45-T49 PolarHBondContact O-N 3.17Å; D45-T49 PolarHBondContact O-OG1 2.68Å; D45-T49 WeakPolarHBondContact OD1-CB 3.44Å; D45-T49 WeakPolarHBondContact OD1-CG2 3.22Å; D45-T49 PolarHBondContact OD1-OG1 3.33Å; T49-G51 PolarHBondContact O-N 3.49Å; T49-G51 PolarHBondContact OG1-N 3.42Å; T49-R52 PolarHBondContact O-N 3.38Å; T49-R52 VanDerWaalsContact O-N 3.1Å; T49-A271 WeakPolarHBondContact O-CB 3.5Å
50G74.2Confident78.1Confident0 Ų041 Ų410%022%0.221CC..G310 helixtrans6123.8-174.200000113.2D46 R52 K185D46-G50 VanDerWaalsContact O-CA 3.28Å; D46-G50 WeakPolarHBondContact O-CA 2.8Å; D46-G50 PolarHBondContact O-N 2.84Å; G50-R52 PolarHBondContact O-N 2.92Å; G50-K185 WeakPolarHBondContact O-CE 3.42Å; G50-K185 PolarHBondContact O-NZ 2.6Å
51G73.1Confident80Confident19 Ų1941.2 Ų41.220%0.19621%0.214CC..G310 helixtrans63.821.4-175.600000113.7T49 Q53T49-G51 PolarHBondContact O-N 3.49Å; T49-G51 PolarHBondContact OG1-N 3.42Å; G51-Q53 WeakPolarHBondContact O-CG 3.28Å; G51-Q53 PolarHBondContact O-N 3.47Å; G51-Q53 VanDerWaalsContact O-N 3.14Å
52R77Confident81.5Confident80 Ų8038.8 Ų38.830%0.30220%0.202SC..G310 helixtrans53.630.6179.1-56.2-175.3177.6164.30.4115.5T49 G50 G113 A271 C272 H273T49-R52 PolarHBondContact O-N 3.38Å; T49-R52 VanDerWaalsContact O-N 3.1Å; G50-R52 PolarHBondContact O-N 2.92Å; R52-G113 PolarHBondContact NH2-O 2.87Å; R52-A271 CarbonylContact C-O 3.37Å; R52-A271 VanDerWaalsContact CA-O 3.29Å; R52-A271 WeakPolarHBondContact CA-O 3.45Å; R52-C272 CarbonylContact O-C 3.58Å; R52-H273 WeakPolarHBondContact O-CA 3.39Å; R52-H273 PolarHBondContact O-N 3.01Å
53Q82.7Confident82.9Confident141 Ų14129.7 Ų29.766%0.65917%0.168SC*.  trans-108.411.8-176.5-77168.512.200114G51 A271G51-Q53 WeakPolarHBondContact O-CG 3.28Å; G51-Q53 PolarHBondContact O-N 3.47Å; G51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-A271 PolarHBondContact N-O 3.21Å
54L87Confident84Confident15 Ų1528.2 Ų28.28%0.07916%0.158CC..BIsolated β-bridgetrans-75.1151.2-175.3-60.3-179.4000112.8V59 M184 K185 V188 A271 H273L54-V59 HydrophobicContact CB-CG2 3.5Å; L54-V59 HydrophobicContact CD1-CG2 3.79Å; L54-V59 HydrophobicContact CG-CG2 4.3Å; L54-M184 HydrophobicContact CD1-CG 4.42Å; L54-K185 HydrophobicContact CD2-CG 4.29Å; L54-V188 HydrophobicContact CD1-CB 4.37Å; L54-V188 HydrophobicContact CD1-CG1 4.34Å; L54-V188 HydrophobicContact CD1-CG2 3.93Å; L54-A271 WeakPolarHBondContact CB-O 3.21Å; L54-A271 HydrophobicContact CD1-CB 3.84Å; L54-A271 HydrophobicContact CG-CB 4.39Å; L54-A271 PolarHBondContact N-O 2.9Å; L54-H273 PolarHBondContact O-N 2.65Å
55A92.9Very high85.1Confident54 Ų5427.9 Ų27.945%0.44616%0.155SC..  trans-87.7151.8175.100000110.9V57 P58 V59A55-V57 VanDerWaalsContact C-N 3.34Å; A55-V57 PolarHBondContact O-N 3.24Å; A55-P58 HydrophobicContact CB-CG 4.44Å; A55-P58 WeakPolarHBondContact O-CD 3.42Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 3.34Å
56A95.2Very high85.7Confident8 Ų824.5 Ų24.57%0.06614%0.137CC..Hα-helixtrans-62.6-35.7-173.300000114G60 K277 L280 A281A56-G60 PolarHBondContact O-N 2.86Å; A56-K277 HydrophobicContact CB-CB 4.25Å; A56-K277 VanDerWaalsContact CB-O 3.27Å; A56-K277 WeakPolarHBondContact CB-O 3.48Å; A56-L280 HydrophobicContact CB-CB 3.93Å; A56-L280 HydrophobicContact CB-CD2 3.81Å; A56-L280 HydrophobicContact CB-CG 3.82Å; A56-A281 HydrophobicContact CB-CB 4.38Å; A56-A281 WeakPolarHBondContact O-CA 3.36Å; A56-A281 WeakPolarHBondContact O-CB 3.38Å
57V96.1Very high85.6Confident80 Ų8022.2 Ų22.249%0.48512%0.124SC..Hα-helixtrans-71.4-52.2-176.2175.10000112.4A55 V59 G60 L61 V284A55-V57 VanDerWaalsContact C-N 3.34Å; A55-V57 PolarHBondContact O-N 3.24Å; V57-V59 VanDerWaalsContact C-N 3.31Å; V57-V59 PolarHBondContact O-N 3.28Å; V57-G60 PolarHBondContact O-N 2.97Å; V57-G60 VanDerWaalsContact O-N 3.16Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CG 3.15Å; V57-L61 PolarHBondContact O-N 3.39Å; V57-V284 HydrophobicContact CG1-CG1 4.49Å; V57-V284 HydrophobicContact CG2-CG2 4.22Å
58P94.9Very high85.8Confident17 Ų1722.2 Ų22.211%0.1113%0.125CC..Hα-helixtrans-56.4-43.3173.8-27.835.6000113.1A55 S62 V188 W189 V192A55-P58 HydrophobicContact CB-CG 4.44Å; A55-P58 WeakPolarHBondContact O-CD 3.42Å; P58-S62 WeakPolarHBondContact O-CB 3.12Å; P58-S62 PolarHBondContact O-N 3.19Å; P58-V188 HydrophobicContact CB-CG1 3.74Å; P58-W189 HydrophobicContact CG-CH2 4.23Å; P58-W189 HydrophobicContact CG-CZ2 4.23Å; P58-V192 HydrophobicContact CB-CG2 3.94Å
59V94.6Very high86.2Confident0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-63.6-44.1176.5176.30000110.8L54 A55 V57 S62 L63 V188 R268 A281L54-V59 HydrophobicContact CB-CG2 3.5Å; L54-V59 HydrophobicContact CD1-CG2 3.79Å; L54-V59 HydrophobicContact CG-CG2 4.3Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 3.34Å; V57-V59 VanDerWaalsContact C-N 3.31Å; V57-V59 PolarHBondContact O-N 3.28Å; V59-S62 WeakPolarHBondContact O-CB 3.4Å; V59-S62 PolarHBondContact O-N 2.87Å; V59-L63 HydrophobicContact CG1-CD1 4.11Å; V59-L63 HydrophobicContact CG1-CG 4.15Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.24Å; V59-V188 HydrophobicContact CG2-CG1 4.39Å; V59-R268 HydrophobicContact CG1-CB 4.26Å; V59-R268 WeakPolarHBondContact CG1-O 3.24Å; V59-A281 HydrophobicContact CB-CB 4.05Å; V59-A281 HydrophobicContact CG1-CB 3.83Å
60G95.4Very high86.5Confident0 Ų022.1 Ų22.10%012%0.124CC..Hα-helixtrans-62.1-44.217900000114A56 V57 S62 A64 A281 N285A56-G60 PolarHBondContact O-N 2.86Å; V57-G60 PolarHBondContact O-N 2.97Å; V57-G60 VanDerWaalsContact O-N 3.16Å; G60-S62 VanDerWaalsContact C-N 3.34Å; G60-A64 PolarHBondContact O-N 3.1Å; G60-A281 WeakPolarHBondContact CA-O 3.37Å; G60-N285 VanDerWaalsContact O-CA 3.24Å; G60-N285 WeakPolarHBondContact O-CA 3.44Å; G60-N285 WeakPolarHBondContact O-CB 3.35Å
61L94.9Very high87Confident41 Ų4122.2 Ų22.222%0.21513%0.125CC..Hα-helixtrans-65.9-39.6174.4-65.7175.4000111.4V57 A64 A65 V192 V195 V284V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CG 3.15Å; V57-L61 PolarHBondContact O-N 3.39Å; L61-A64 PolarHBondContact O-N 3.14Å; L61-A65 PolarHBondContact O-N 3.24Å; L61-V192 HydrophobicContact CB-CG2 4.1Å; L61-V192 HydrophobicContact CD1-CG1 4.11Å; L61-V192 HydrophobicContact CD1-CG2 4.22Å; L61-V195 HydrophobicContact CD2-CG1 4.35Å; L61-V195 WeakPolarHBondContact O-CG2 3.32Å; L61-V284 HydrophobicContact CD2-CG1 4.32Å; L61-V284 HydrophobicContact CG-CG1 4.27Å
62S94Very high87.8Confident0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-61.2-49.8175.2171.70000112.4P58 V59 G60 A64 A65 S66 D191 R268P58-S62 WeakPolarHBondContact O-CB 3.12Å; P58-S62 PolarHBondContact O-N 3.19Å; V59-S62 WeakPolarHBondContact O-CB 3.4Å; V59-S62 PolarHBondContact O-N 2.87Å; G60-S62 VanDerWaalsContact C-N 3.34Å; S62-A64 PolarHBondContact O-N 2.84Å; S62-A65 WeakPolarHBondContact O-CB 3.45Å; S62-A65 PolarHBondContact O-N 2.76Å; S62-S66 PolarHBondContact O-N 3.23Å; S62-S66 PolarHBondContact O-OG 3.29Å; S62-D191 WeakPolarHBondContact CA-OD2 3.26Å; S62-D191 VanDerWaalsContact CB-OD2 3.3Å; S62-D191 WeakPolarHBondContact CB-OD2 3.3Å; S62-D191 PolarHBondContact OG-OD2 2.67Å; S62-R268 PolarHBondContact O-NH1 2.89Å; S62-R268 PolarHBondContact OG-NH1 3.07Å; S62-R268 VanDerWaalsContact OG-NH1 3.14Å; S62-R268 PolarHBondContact OG-NH2 3.1Å
63L93.5Very high88.5Confident0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-49.7-47173-70.4170.3000110.8V59 Y259 Q265 R268 A281 L282 N285V59-L63 HydrophobicContact CG1-CD1 4.11Å; V59-L63 HydrophobicContact CG1-CG 4.15Å; V59-L63 WeakPolarHBondContact O-CB 3.44Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.24Å; L63-Y259 HydrophobicContact CB-CE1 4.32Å; L63-Y259 PolarHBondContact O-OH 2.77Å; L63-Q265 HydrophobicContact CD2-CB 4.16Å; L63-R268 HydrophobicContact CD2-CB 3.69Å; L63-R268 HydrophobicContact CG-CB 4.47Å; L63-A281 HydrophobicContact CD1-CB 4.16Å; L63-L282 HydrophobicContact CD1-CD2 4.18Å; L63-N285 VanDerWaalsContact C-OD1 3.25Å; L63-N285 HydrophobicContact CB-CB 3.89Å; L63-N285 WeakPolarHBondContact CB-OD1 3.22Å; L63-N285 HydrophobicContact CD1-CB 4.12Å
64A92.9Very high88.8Confident0 Ų011.1 Ų11.10%07%0.071CC..Hα-helixtrans-66.3-45.1-179.800000112.4G60 L61 S62 S66 M68 N285 L289G60-A64 PolarHBondContact O-N 3.1Å; L61-A64 PolarHBondContact O-N 3.14Å; S62-A64 PolarHBondContact O-N 2.84Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3.17Å; A64-M68 WeakPolarHBondContact O-CB 3.46Å; A64-M68 WeakPolarHBondContact O-CG 3.36Å; A64-M68 PolarHBondContact O-N 2.96Å; A64-N285 WeakPolarHBondContact CA-OD1 3.43Å; A64-N285 PolarHBondContact N-OD1 3.19Å; A64-L289 HydrophobicContact CB-CD2 4.12Å; A64-L289 HydrophobicContact CB-CG 4.18Å
65A89.9Confident89.1Confident0 Ų010.5 Ų10.50%07%0.068CC..Hα-helixtrans-53.5-47.6179.200000112.2L61 S62 F67 M68 D191 V195 S353L61-A65 PolarHBondContact O-N 3.24Å; S62-A65 WeakPolarHBondContact O-CB 3.45Å; S62-A65 PolarHBondContact O-N 2.76Å; A65-F67 VanDerWaalsContact C-N 3.31Å; A65-F67 PolarHBondContact O-N 3.37Å; A65-M68 CarbonylContact O-C 3.31Å; A65-M68 PolarHBondContact O-N 3.47Å; A65-M68 VanDerWaalsContact O-N 3.07Å; A65-D191 HydrophobicContact CB-CB 3.9Å; A65-V195 HydrophobicContact CB-CG2 3.54Å; A65-S353 WeakPolarHBondContact CB-OG 3.12Å
66S82.6Confident89.1Confident2 Ų27.9 Ų7.91%0.0145%0.047CC..THydrogen-bonded Turntrans-81.3-2.3-162.7-49.20000115.9S62 A64 D191 R268 S353 T354 T357S62-S66 PolarHBondContact O-N 3.23Å; S62-S66 PolarHBondContact O-OG 3.29Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3.17Å; S66-D191 PolarHBondContact OG-OD2 3.16Å; S66-R268 VanDerWaalsContact CB-NH1 3.32Å; S66-R268 PolarHBondContact OG-NH1 3.21Å; S66-R268 PolarHBondContact OG-NH2 3.46Å; S66-S353 WeakPolarHBondContact CA-OG 3.24Å; S66-S353 PolarHBondContact N-OG 3.15Å; S66-S353 PolarHBondContact OG-OG 2.87Å; S66-T354 WeakPolarHBondContact O-CB 3.29Å; S66-T354 WeakPolarHBondContact O-CG2 3.39Å; S66-T354 PolarHBondContact O-OG1 3Å; S66-T357 PolarHBondContact OG-OG1 3.38Å; S66-T357 VanDerWaalsContact OG-OG1 3.04Å
67F71.4Confident89.1Confident5 Ų57.5 Ų7.52%0.0224%0.044CC..THydrogen-bonded Turntrans-114.5-10.7159.6-75.3-48.3000113.8A65 S69 Q72 Y144 W255 M258 Y259 Q265 M420A65-F67 VanDerWaalsContact C-N 3.31Å; A65-F67 PolarHBondContact O-N 3.37Å; F67-S69 PolarHBondContact O-N 3.02Å; F67-Q72 PolarHBondContact O-NE2 2.74Å; F67-Y144 AromaticContact CD1-CE1 3.69Å; F67-Y144 HydrophobicContact CD1-CE1 3.69Å; F67-Y144 AromaticContact CD1-CZ 3.82Å; F67-Y144 WeakPolarHBondContact CD1-OH 3.47Å; F67-Y144 HydrophobicContact CE1-CD1 4.27Å; F67-Y144 AromaticContact CE1-CE1 3.59Å; F67-Y144 HydrophobicContact CE1-CE1 3.59Å; F67-W255 HydrophobicContact CB-CH2 4.28Å; F67-W255 HydrophobicContact CB-CZ3 3.89Å; F67-W255 HydrophobicContact CD2-CZ3 4.37Å; F67-W255 HydrophobicContact CG-CZ3 4.37Å; F67-M258 HydrophobicContact CB-CE 3.93Å; F67-M258 HydrophobicContact CD1-CE 3.46Å; F67-M258 VanDerWaalsContact CD1-CE 3.46Å; F67-M258 HydrophobicContact CD2-CB 4.21Å; F67-M258 HydrophobicContact CD2-CE 3.53Å; F67-M258 HydrophobicContact CE1-CE 3.76Å; F67-M258 HydrophobicContact CE2-CB 3.7Å; F67-M258 HydrophobicContact CE2-CE 3.79Å; F67-M258 HydrophobicContact CE2-CG 4.39Å; F67-M258 WeakPolarHBondContact CE2-O 3.4Å; F67-M258 HydrophobicContact CG-CE 3.37Å; F67-M258 HydrophobicContact CZ-CB 4.21Å; F67-M258 HydrophobicContact CZ-CE 3.92Å; F67-M258 HydrophobicContact CZ-CG 4.5Å; F67-Y259 HydrophobicContact CD2-CE2 4.18Å; F67-Q265 HydrophobicContact CD2-CG 4.02Å; F67-Q265 HydrophobicContact CE2-CG 3.44Å; F67-Q265 VanDerWaalsContact CE2-CG 3.44Å; F67-Q265 HydrophobicContact CZ-CG 4.34Å; F67-M420 HydrophobicContact CD1-CE 4.38Å; F67-M420 HydrophobicContact CD1-SD 4.45Å; F67-M420 HydrophobicContact CE1-CE 3.51Å; F67-M420 HydrophobicContact CE1-SD 4.09Å; F67-M420 HydrophobicContact CZ-CE 3.71Å
68M73.7Confident89.1Confident2 Ų23.9 Ų3.91%0.012%0.022CC..SBendtrans-81.659.6166.2-62.5-56.3-60.500110.7A64 A65 Q72 M198 L289 I292 V293 G350A64-M68 WeakPolarHBondContact O-CB 3.46Å; A64-M68 WeakPolarHBondContact O-CG 3.36Å; A64-M68 PolarHBondContact O-N 2.96Å; A65-M68 CarbonylContact O-C 3.31Å; A65-M68 PolarHBondContact O-N 3.47Å; A65-M68 VanDerWaalsContact O-N 3.07Å; M68-Q72 HydrophobicContact CE-CB 3.84Å; M68-Q72 HydrophobicContact CE-CG 4.38Å; M68-Q72 PolarHBondContact SD-NE2 2.92Å; M68-Q72 PolarHBondContact SD-OE1 3.46Å; M68-Q72 VanDerWaalsContact SD-OE1 3.41Å; M68-M198 HydrophobicContact CB-CE 3.72Å; M68-M198 WeakPolarHBondContact O-CE 3.38Å; M68-L289 HydrophobicContact CG-CD2 3.61Å; M68-L289 HydrophobicContact SD-CD2 3.73Å; M68-I292 HydrophobicContact CB-CD1 4.23Å; M68-I292 HydrophobicContact CB-CG2 4.3Å; M68-I292 HydrophobicContact CE-CB 3.84Å; M68-I292 HydrophobicContact CE-CG2 3.4Å; M68-I292 VanDerWaalsContact CE-CG2 3.4Å; M68-I292 HydrophobicContact CG-CB 4.3Å; M68-I292 HydrophobicContact CG-CD1 3.9Å; M68-I292 HydrophobicContact CG-CG2 4.21Å; M68-V293 HydrophobicContact CE-CG2 3.54Å; M68-V293 HydrophobicContact SD-CG2 3.79Å; M68-G350 WeakPolarHBondContact O-CA 3.22Å
69S81.2Confident89Confident0 Ų03.6 Ų3.60%02%0.019CC..  trans-74.9179.4179.972.80000113.1F67 V71 Q72 V73 V148 T354F67-S69 PolarHBondContact O-N 3.02Å; S69-V71 PolarHBondContact O-N 3.09Å; S69-V71 VanDerWaalsContact OG-CB 3.26Å; S69-V71 WeakPolarHBondContact OG-CB 3.26Å; S69-V71 WeakPolarHBondContact OG-CG2 3.37Å; S69-V71 PolarHBondContact OG-N 3.32Å; S69-Q72 PolarHBondContact O-N 2.73Å; S69-V73 PolarHBondContact O-N 2.95Å; S69-V148 WeakPolarHBondContact OG-CG2 3.44Å; S69-T354 VanDerWaalsContact CB-OG1 3.3Å; S69-T354 WeakPolarHBondContact CB-OG1 3.26Å
70A80Confident89.1Confident0 Ų03.6 Ų3.60%02%0.019CC..Hα-helixtrans-52-26.9170.900000113.2Q72 V73 L74 A151 P152 A347 T351A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.38Å; A70-V73 PolarHBondContact O-N 2.78Å; A70-V73 VanDerWaalsContact O-N 3.12Å; A70-L74 PolarHBondContact O-N 3.15Å; A70-A151 HydrophobicContact CB-CB 3.8Å; A70-P152 HydrophobicContact CB-CB 4.12Å; A70-P152 HydrophobicContact CB-CG 4.2Å; A70-A347 HydrophobicContact CB-CB 4.05Å; A70-A347 WeakPolarHBondContact CB-O 3.27Å; A70-T351 WeakPolarHBondContact CB-OG1 3.37Å; A70-T351 PolarHBondContact N-OG1 3.36Å
71V84.8Confident89.1Confident3 Ų33.9 Ų3.92%0.0182%0.022CC..Hα-helixtrans-55.4-40.9172.5173.70000111.8S69 G75 I147 V148 A151 V412 L413 S416S69-V71 PolarHBondContact O-N 3.09Å; S69-V71 VanDerWaalsContact OG-CB 3.26Å; S69-V71 WeakPolarHBondContact OG-CB 3.26Å; S69-V71 WeakPolarHBondContact OG-CG2 3.37Å; S69-V71 PolarHBondContact OG-N 3.32Å; V71-G75 VanDerWaalsContact O-CA 3.31Å; V71-G75 WeakPolarHBondContact O-CA 3.35Å; V71-G75 PolarHBondContact O-N 3.43Å; V71-I147 HydrophobicContact CG2-CG2 4.37Å; V71-V148 HydrophobicContact CG2-CB 4.4Å; V71-V148 HydrophobicContact CG2-CG2 3.75Å; V71-A151 HydrophobicContact CG2-CB 3.98Å; V71-V412 HydrophobicContact CB-CG2 4.39Å; V71-V412 HydrophobicContact CG1-CB 4.47Å; V71-V412 HydrophobicContact CG1-CG2 4.17Å; V71-V412 WeakPolarHBondContact CG1-O 3.39Å; V71-V412 HydrophobicContact CG2-CB 4.41Å; V71-V412 HydrophobicContact CG2-CG2 4.39Å; V71-L413 VanDerWaalsContact CG1-CA 3.43Å; V71-L413 HydrophobicContact CG1-CB 4.02Å; V71-S416 WeakPolarHBondContact CG1-OG 3.47Å
72Q89.9Confident89.1Confident6 Ų63.6 Ų3.63%0.0282%0.017CC..Hα-helixtrans-82.2-29.1176.1-66.6-156.766.700112.2F67 M68 S69 A70 L74 V76 P77F67-Q72 PolarHBondContact O-NE2 2.74Å; M68-Q72 HydrophobicContact CE-CB 3.84Å; M68-Q72 HydrophobicContact CE-CG 4.38Å; M68-Q72 PolarHBondContact SD-NE2 2.92Å; M68-Q72 PolarHBondContact SD-OE1 3.46Å; M68-Q72 VanDerWaalsContact SD-OE1 3.41Å; S69-Q72 PolarHBondContact O-N 2.73Å; A70-Q72 VanDerWaalsContact C-N 3.26Å; A70-Q72 PolarHBondContact O-N 3.38Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 3.48Å; Q72-V76 HydrophobicContact CB-CG2 3.86Å; Q72-V76 HydrophobicContact CG-CG2 4.14Å; Q72-V76 WeakPolarHBondContact O-CB 3.41Å; Q72-V76 WeakPolarHBondContact O-CG2 3.32Å; Q72-V76 PolarHBondContact O-N 2.92Å; Q72-V76 VanDerWaalsContact O-N 3.08Å; Q72-P77 WeakPolarHBondContact O-CD 3.47Å
73V89.9Confident89.2Confident1 Ų13.7 Ų3.71%0.0062%0.018CC..Hα-helixtrans-63.7-34.3173.9-178.90000112.5S69 A70 P77 M198 F202 F343 A347S69-V73 PolarHBondContact O-N 2.95Å; A70-V73 PolarHBondContact O-N 2.78Å; A70-V73 VanDerWaalsContact O-N 3.12Å; V73-P77 WeakPolarHBondContact O-CD 3.33Å; V73-P77 WeakPolarHBondContact O-CG 3.28Å; V73-M198 HydrophobicContact CG2-CE 4.45Å; V73-F202 HydrophobicContact CB-CZ 4.12Å; V73-F202 HydrophobicContact CG1-CE1 4.15Å; V73-F202 HydrophobicContact CG1-CZ 4.02Å; V73-F202 HydrophobicContact CG2-CE2 4.32Å; V73-F202 HydrophobicContact CG2-CZ 3.89Å; V73-F343 HydrophobicContact CG1-CD2 4.45Å; V73-F343 HydrophobicContact CG1-CE2 3.66Å; V73-F343 HydrophobicContact CG1-CZ 4.33Å; V73-A347 HydrophobicContact CG1-CB 4.21Å
74L90.7Very high89.3Confident0 Ų03.7 Ų3.70%02%0.018CC..Hα-helixtrans-89.3-49.8173.1-63-177.3000112.8A70 Q72 P77 A78 A151 I155 D322 M325 P326 F343A70-L74 PolarHBondContact O-N 3.15Å; Q72-L74 VanDerWaalsContact C-N 3.3Å; Q72-L74 PolarHBondContact O-N 3.48Å; L74-P77 WeakPolarHBondContact O-CD 3.48Å; L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.43Å; L74-A151 HydrophobicContact CD1-CB 4.32Å; L74-I155 HydrophobicContact CD1-CD1 4.04Å; L74-I155 HydrophobicContact CD1-CG1 3.83Å; L74-I155 HydrophobicContact CD2-CD1 3.69Å; L74-I155 HydrophobicContact CD2-CG1 3.82Å; L74-I155 HydrophobicContact CG-CD1 3.96Å; L74-I155 HydrophobicContact CG-CG1 4.2Å; L74-D322 HydrophobicContact CB-CB 4.48Å; L74-D322 HydrophobicContact CD1-CB 4.43Å; L74-M325 HydrophobicContact CD2-CB 4.24Å; L74-P326 HydrophobicContact CD2-CG 3.76Å; L74-F343 HydrophobicContact CD2-CZ 3.98Å
75G92.1Very high89.5Confident1 Ų14.6 Ų4.61%0.012%0.023CC..Hα-helixtrans-73.9-44-168.100000113.9V71 A78 E79 L413V71-G75 VanDerWaalsContact O-CA 3.31Å; V71-G75 WeakPolarHBondContact O-CA 3.35Å; V71-G75 PolarHBondContact O-N 3.43Å; G75-A78 PolarHBondContact O-N 2.86Å; G75-A78 VanDerWaalsContact O-N 3.14Å; G75-E79 WeakPolarHBondContact O-CB 3.47Å; G75-E79 VanDerWaalsContact O-CG 3.24Å; G75-E79 WeakPolarHBondContact O-CG 3.45Å; G75-E79 PolarHBondContact O-N 2.94Å; G75-L413 VanDerWaalsContact C-CD1 3.47Å
76V94.3Very high89.7Confident0 Ų05.4 Ų5.40%03%0.026CC..Hα-helixtrans-62.6-42.7-177178.90000111.6Q72 A80 F87 V293 A296 A297 L413Q72-V76 HydrophobicContact CB-CG2 3.86Å; Q72-V76 HydrophobicContact CG-CG2 4.14Å; Q72-V76 WeakPolarHBondContact O-CB 3.41Å; Q72-V76 WeakPolarHBondContact O-CG2 3.32Å; Q72-V76 PolarHBondContact O-N 2.92Å; Q72-V76 VanDerWaalsContact O-N 3.08Å; V76-A80 VanDerWaalsContact O-CB 3.25Å; V76-A80 WeakPolarHBondContact O-CB 3.47Å; V76-A80 PolarHBondContact O-N 3.3Å; V76-F87 HydrophobicContact CB-CE1 4.32Å; V76-F87 HydrophobicContact CG1-CD1 3.76Å; V76-F87 HydrophobicContact CG1-CE1 3.85Å; V76-F87 HydrophobicContact CG1-CG 4.42Å; V76-F87 HydrophobicContact CG2-CD1 4.41Å; V76-F87 HydrophobicContact CG2-CE1 3.65Å; V76-F87 HydrophobicContact CG2-CZ 3.82Å; V76-V293 HydrophobicContact CG1-CG1 4.44Å; V76-A296 HydrophobicContact CB-CB 3.9Å; V76-A296 HydrophobicContact CG1-CB 3.8Å; V76-A297 HydrophobicContact CG1-CB 4.31Å; V76-L413 HydrophobicContact CG2-CD1 3.84Å
77P95.2Very high90.2Very high0 Ų05.4 Ų5.40%03%0.026CC..Hα-helixtrans-62.9-42171.3-22.132.9000113.5Q72 V73 L74 A80 A81 F202 A296 C299 G300 M303 M325Q72-P77 WeakPolarHBondContact O-CD 3.47Å; V73-P77 WeakPolarHBondContact O-CD 3.33Å; V73-P77 WeakPolarHBondContact O-CG 3.28Å; L74-P77 WeakPolarHBondContact O-CD 3.48Å; P77-A80 PolarHBondContact O-N 3.47Å; P77-A81 WeakPolarHBondContact O-CB 3.36Å; P77-A81 PolarHBondContact O-N 3.47Å; P77-F202 HydrophobicContact CG-CE1 4.48Å; P77-A296 HydrophobicContact CG-CB 4.21Å; P77-A296 WeakPolarHBondContact CG-O 3.36Å; P77-C299 HydrophobicContact CB-CB 4.38Å; P77-C299 HydrophobicContact CG-CB 4.33Å; P77-G300 WeakPolarHBondContact O-CA 3.36Å; P77-M303 HydrophobicContact CB-CE 4.08Å; P77-M303 HydrophobicContact CB-SD 4.49Å; P77-M303 VanDerWaalsContact O-CE 3.32Å; P77-M303 WeakPolarHBondContact O-CE 3.33Å; P77-M325 HydrophobicContact CB-CE 3.32Å; P77-M325 HydrophobicContact CG-CE 3.68Å
78A94.5Very high91.3Very high3 Ų37.1 Ų7.13%0.0254%0.035CC..Hα-helixtrans-64.2-43.1179.400000112.5L74 G75 A81 R82 P321 Y324L74-A78 WeakPolarHBondContact O-CB 3.25Å; L74-A78 PolarHBondContact O-N 3.43Å; G75-A78 PolarHBondContact O-N 2.86Å; G75-A78 VanDerWaalsContact O-N 3.14Å; A78-A81 PolarHBondContact O-N 2.92Å; A78-R82 WeakPolarHBondContact O-CG 3.45Å; A78-R82 PolarHBondContact O-N 3.21Å; A78-R82 VanDerWaalsContact O-N 3.11Å; A78-P321 HydrophobicContact CB-CB 4.21Å; A78-P321 WeakPolarHBondContact CB-O 3.29Å; A78-Y324 HydrophobicContact CB-CD2 4.4Å
79E94.5Very high92.4Very high12 Ų129.8 Ų9.86%0.0565%0.045CC..Hα-helixtrans-67.2-41.2174.9-60.9-71.4-17900110.8G75 A81 R82 Y83 F87 R241 Y242 L413G75-E79 WeakPolarHBondContact O-CB 3.47Å; G75-E79 VanDerWaalsContact O-CG 3.24Å; G75-E79 WeakPolarHBondContact O-CG 3.45Å; G75-E79 PolarHBondContact O-N 2.94Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 2.61Å; E79-R82 PolarHBondContact O-N 3.15Å; E79-Y83 WeakPolarHBondContact O-CB 3.42Å; E79-Y83 WeakPolarHBondContact O-CD2 3.5Å; E79-Y83 PolarHBondContact O-N 3.08Å; E79-Y83 VanDerWaalsContact OE2-CD2 3.26Å; E79-Y83 WeakPolarHBondContact OE2-CD2 3.19Å; E79-Y83 WeakPolarHBondContact OE2-CE2 3.35Å; E79-F87 HydrophobicContact CB-CD2 3.98Å; E79-F87 HydrophobicContact CB-CE2 4.26Å; E79-F87 HydrophobicContact CG-CE2 4.4Å; E79-R241 IonicContact OE1-CZ 3.2Å; E79-R241 IonicContact OE1-NE 2.78Å; E79-R241 IonicContact OE1-NH2 2.67Å; E79-R241 PolarHBondContact OE1-NH2 2.82Å; E79-R241 IonicContact OE2-CZ 3.38Å; E79-R241 IonicContact OE2-NE 2.6Å; E79-R241 PolarHBondContact OE2-NE 3.35Å; E79-R241 IonicContact OE2-NH2 3.66Å; E79-Y242 HydrophobicContact CB-CE2 4.02Å; E79-Y242 HydrophobicContact CG-CE2 4.34Å; E79-Y242 WeakPolarHBondContact CG-OH 3.32Å; E79-Y242 PolarHBondContact OE1-OH 3.24Å; E79-Y242 WeakPolarHBondContact OE2-CE2 3.21Å; E79-Y242 PolarHBondContact OE2-OH 3.12Å; E79-Y242 VanDerWaalsContact OE2-OH 3.1Å; E79-L413 HydrophobicContact CG-CD1 4.29Å; E79-L413 HydrophobicContact CG-CD2 4.09Å
80A96.2Very high92.9Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-66.2-32.517600000113.1V76 P77 G84 A297V76-A80 VanDerWaalsContact O-CB 3.25Å; V76-A80 WeakPolarHBondContact O-CB 3.47Å; V76-A80 PolarHBondContact O-N 3.3Å; P77-A80 PolarHBondContact O-N 3.47Å; A80-G84 WeakPolarHBondContact O-CA 3.37Å; A80-G84 PolarHBondContact O-N 3.5Å; A80-A297 HydrophobicContact CB-CB 4.19Å
81A95.9Very high93.6Very high6 Ų610.2 Ų10.25%0.055%0.048CC..Hα-helixtrans-69-38.8173.100000112.7P77 A78 E79 R228 G300 M303 F304P77-A81 WeakPolarHBondContact O-CB 3.36Å; P77-A81 PolarHBondContact O-N 3.47Å; A78-A81 PolarHBondContact O-N 2.92Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 2.61Å; A81-R228 PolarHBondContact O-NE 3.15Å; A81-R228 PolarHBondContact O-NH2 3.31Å; A81-G300 WeakPolarHBondContact CB-O 3.12Å; A81-M303 HydrophobicContact CB-CE 3.62Å; A81-F304 HydrophobicContact CB-CB 4.06Å
82R94.9Very high94.1Very high34 Ų3412.6 Ų12.613%0.1286%0.062CC..Hα-helixtrans-85.2-29.8-177.5-68.6-176.974.8-156.15.7114.4A78 E79 Y324 E470 L476A78-R82 WeakPolarHBondContact O-CG 3.45Å; A78-R82 PolarHBondContact O-N 3.21Å; A78-R82 VanDerWaalsContact O-N 3.11Å; E79-R82 PolarHBondContact O-N 3.15Å; R82-Y324 HydrophobicContact CG-CE2 4.42Å; R82-E470 IonicContact NH2-OE1 3.69Å; R82-E470 PolarHBondContact NH2-OE1 3.19Å; R82-L476 WeakPolarHBondContact O-CB 3.42Å; R82-L476 PolarHBondContact O-N 3.06Å
83Y95.4Very high94.3Very high2 Ų212.3 Ų12.31%0.0086%0.061CC..Hα-helixtrans-126-2.8-172.8-56.3-88.1000114.2E79 N230 R241 Y242 M473 G474 V475 L476E79-Y83 WeakPolarHBondContact O-CB 3.42Å; E79-Y83 WeakPolarHBondContact O-CD2 3.5Å; E79-Y83 PolarHBondContact O-N 3.08Å; E79-Y83 VanDerWaalsContact OE2-CD2 3.26Å; E79-Y83 WeakPolarHBondContact OE2-CD2 3.19Å; E79-Y83 WeakPolarHBondContact OE2-CE2 3.35Å; Y83-N230 PolarHBondContact O-ND2 3.36Å; Y83-R241 HydrophobicContact CE1-CB 4.28Å; Y83-R241 WeakPolarHBondContact OH-CD 3.47Å; Y83-Y242 HydrophobicContact CD1-CD2 4.11Å; Y83-Y242 AromaticContact CD2-CD2 3.93Å; Y83-Y242 HydrophobicContact CD2-CD2 3.93Å; Y83-Y242 AromaticContact CD2-CE2 3.65Å; Y83-Y242 HydrophobicContact CD2-CE2 3.65Å; Y83-Y242 HydrophobicContact CE2-CE2 4.18Å; Y83-Y242 AromaticContact CG-CD2 3.63Å; Y83-Y242 HydrophobicContact CG-CD2 3.63Å; Y83-Y242 AromaticContact CG-CE2 3.88Å; Y83-Y242 HydrophobicContact CG-CE2 3.88Å; Y83-M473 HydrophobicContact CE1-CB 4.21Å; Y83-M473 WeakPolarHBondContact CE1-O 3.48Å; Y83-G474 WeakPolarHBondContact CD1-O 3.37Å; Y83-V475 HydrophobicContact CE1-CB 4.17Å; Y83-V475 HydrophobicContact CE1-CG2 3.6Å; Y83-V475 WeakPolarHBondContact OH-CG2 3.45Å; Y83-L476 VanDerWaalsContact C-CD1 3.49Å
84G95.8Very high94.5Very high0 Ų012.2 Ų12.20%06%0.061CC..  trans80.1-171.2178.400000114.7A80 K86 R228 N230A80-G84 WeakPolarHBondContact O-CA 3.37Å; A80-G84 PolarHBondContact O-N 3.5Å; G84-K86 PolarHBondContact O-N 2.97Å; G84-K86 VanDerWaalsContact O-N 3.08Å; G84-R228 CarbonylContact C-O 3.16Å; G84-R228 WeakPolarHBondContact CA-O 3.16Å; G84-N230 WeakPolarHBondContact CA-OD1 3.49Å
85L96.1Very high94.7Very high20 Ų2015.8 Ų15.811%0.1058%0.079CC..G310 helixtrans-67.8-3.8-175.6-72.9-172.6000115F87 L88 R228 I229 N230 L231 A297 I301L85-F87 PolarHBondContact O-N 3.22Å; L85-L88 HydrophobicContact CB-CD1 4.25Å; L85-L88 HydrophobicContact CD1-CD1 4.3Å; L85-L88 HydrophobicContact CD2-CD1 4.01Å; L85-L88 HydrophobicContact CD2-CG 4.33Å; L85-L88 HydrophobicContact CG-CD1 4.43Å; L85-L88 WeakPolarHBondContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.19Å; L85-L88 PolarHBondContact O-N 3.36Å; L85-R228 PolarHBondContact N-O 2.81Å; L85-I229 HydrophobicContact CD1-CD1 3.51Å; L85-I229 HydrophobicContact CG-CD1 4.14Å; L85-N230 PolarHBondContact N-OD1 3.02Å; L85-N230 VanDerWaalsContact N-OD1 3.1Å; L85-L231 HydrophobicContact CB-CD2 4.06Å; L85-L231 HydrophobicContact CB-CG 4.33Å; L85-L231 WeakPolarHBondContact O-CD2 3.29Å; L85-A297 HydrophobicContact CD2-CB 4.22Å; L85-I301 HydrophobicContact CD2-CD1 3.81Å; L85-I301 HydrophobicContact CD2-CG1 3.46Å; L85-I301 VanDerWaalsContact CD2-CG1 3.46Å; L85-I301 HydrophobicContact CG-CD1 3.82Å; L85-I301 HydrophobicContact CG-CG1 3.89Å
86K94.8Very high94.9Very high17 Ų1719 Ų197%0.07410%0.096CC..G310 helixtrans-40.5-37.8168.7-75.2172.5174-163.30113.2G84 L88 W89 N230 D233 Y242 F247G84-K86 PolarHBondContact O-N 2.97Å; G84-K86 VanDerWaalsContact O-N 3.08Å; K86-L88 PolarHBondContact O-N 3.12Å; K86-L88 VanDerWaalsContact O-N 3.11Å; K86-W89 WeakPolarHBondContact O-CB 3.47Å; K86-W89 PolarHBondContact O-N 2.89Å; K86-W89 VanDerWaalsContact O-N 3.08Å; K86-N230 WeakPolarHBondContact CE-ND2 3.49Å; K86-N230 WeakPolarHBondContact CG-O 3.12Å; K86-N230 PolarHBondContact N-OD1 3.3Å; K86-D233 WeakPolarHBondContact CE-OD2 3.29Å; K86-D233 IonicContact NZ-OD2 3.28Å; K86-D233 PolarHBondContact NZ-OD2 3.49Å; K86-Y242 WeakPolarHBondContact CD-O 3.38Å; K86-Y242 PolarHBondContact NZ-O 3.47Å; K86-Y242 VanDerWaalsContact NZ-O 3.12Å; K86-F247 HydrophobicContact CB-CE2 4.34Å; K86-F247 WeakPolarHBondContact O-CD2 3.22Å; K86-F247 WeakPolarHBondContact O-CE2 3.47Å
87F93.1Very high94.9Very high2 Ų219 Ų191%0.00910%0.096CC..G310 helixtrans-56.6-25.7179.4-156.8-79.2000113.9V76 E79 L85 W89 M90 Y242 F247 V293 L413V76-F87 HydrophobicContact CB-CE1 4.32Å; V76-F87 HydrophobicContact CG1-CD1 3.76Å; V76-F87 HydrophobicContact CG1-CE1 3.85Å; V76-F87 HydrophobicContact CG1-CG 4.42Å; V76-F87 HydrophobicContact CG2-CD1 4.41Å; V76-F87 HydrophobicContact CG2-CE1 3.65Å; V76-F87 HydrophobicContact CG2-CZ 3.82Å; E79-F87 HydrophobicContact CB-CD2 3.98Å; E79-F87 HydrophobicContact CB-CE2 4.26Å; E79-F87 HydrophobicContact CG-CE2 4.4Å; L85-F87 PolarHBondContact O-N 3.22Å; F87-W89 PolarHBondContact O-N 3.1Å; F87-M90 HydrophobicContact CD1-CB 4.23Å; F87-M90 HydrophobicContact CE1-CB 4.11Å; F87-M90 HydrophobicContact CE1-CG 4.3Å; F87-M90 HydrophobicContact CZ-CE 4.28Å; F87-M90 WeakPolarHBondContact O-CB 3.47Å; F87-M90 PolarHBondContact O-N 2.86Å; F87-Y242 HydrophobicContact CD2-CE1 4.4Å; F87-Y242 HydrophobicContact CD2-CE2 4.31Å; F87-Y242 HydrophobicContact CE2-CE1 4.46Å; F87-F247 VanDerWaalsContact CA-CZ 3.5Å; F87-F247 HydrophobicContact CB-CZ 4.18Å; F87-F247 HydrophobicContact CD2-CE1 4.03Å; F87-F247 AromaticContact CD2-CZ 3.78Å; F87-F247 HydrophobicContact CD2-CZ 3.78Å; F87-F247 HydrophobicContact CE2-CE1 4.21Å; F87-F247 HydrophobicContact CE2-CZ 4.37Å; F87-F247 HydrophobicContact CG-CE1 4.33Å; F87-F247 HydrophobicContact CG-CZ 4.05Å; F87-V293 HydrophobicContact CD1-CG1 4.16Å; F87-V293 HydrophobicContact CE1-CG1 4.28Å; F87-L413 HydrophobicContact CE2-CD1 4.25Å; F87-L413 HydrophobicContact CE2-CD2 4.34Å; F87-L413 HydrophobicContact CZ-CD1 4.08Å
88L94.9Very high94.8Very high41 Ų4119.4 Ų19.422%0.21510%0.098CC..G310 helixtrans-61.8-24.1176.8-65.9-178.9000113.5L85 K86 M90 C91 L231 A294 A297L85-L88 HydrophobicContact CB-CD1 4.25Å; L85-L88 HydrophobicContact CD1-CD1 4.3Å; L85-L88 HydrophobicContact CD2-CD1 4.01Å; L85-L88 HydrophobicContact CD2-CG 4.33Å; L85-L88 HydrophobicContact CG-CD1 4.43Å; L85-L88 WeakPolarHBondContact O-CB 3.28Å; L85-L88 WeakPolarHBondContact O-CG 3.19Å; L85-L88 PolarHBondContact O-N 3.36Å; K86-L88 PolarHBondContact O-N 3.12Å; K86-L88 VanDerWaalsContact O-N 3.11Å; L88-M90 PolarHBondContact O-N 3.41Å; L88-M90 VanDerWaalsContact O-N 3.13Å; L88-C91 VanDerWaalsContact O-CB 3.28Å; L88-C91 WeakPolarHBondContact O-CB 3.33Å; L88-C91 PolarHBondContact O-N 3.48Å; L88-C91 PolarHBondContact O-SG 3.44Å; L88-L231 HydrophobicContact CB-CD2 4.22Å; L88-A294 HydrophobicContact CD2-CB 4.26Å; L88-A297 HydrophobicContact CD2-CB 3.66Å; L88-A297 HydrophobicContact CG-CB 4.28Å
89W95.5Very high94.9Very high57 Ų5723.6 Ų23.622%0.21612%0.12CC..G310 helixtrans-60.4-20.2171.7-73.7120.8000113K86 F87 C91 V92 G93 L231 F234 F244 F247K86-W89 WeakPolarHBondContact O-CB 3.47Å; K86-W89 PolarHBondContact O-N 2.89Å; K86-W89 VanDerWaalsContact O-N 3.08Å; F87-W89 PolarHBondContact O-N 3.1Å; W89-C91 PolarHBondContact O-N 3.36Å; W89-V92 HydrophobicContact CE3-CB 4.2Å; W89-V92 HydrophobicContact CE3-CG2 3.69Å; W89-V92 HydrophobicContact CZ3-CG2 3.93Å; W89-V92 WeakPolarHBondContact O-CB 3.37Å; W89-V92 PolarHBondContact O-N 3.24Å; W89-G93 PolarHBondContact O-N 3.26Å; W89-L231 PolarHBondContact NE1-O 2.73Å; W89-F234 HydrophobicContact CZ2-CZ 4.41Å; W89-F244 AromaticContact CD2-CD2 3.71Å; W89-F244 HydrophobicContact CD2-CD2 3.71Å; W89-F244 HydrophobicContact CD2-CE2 4.28Å; W89-F244 AromaticContact CE2-CD2 3.75Å; W89-F244 AromaticContact CE3-CD2 3.76Å; W89-F244 HydrophobicContact CE3-CD2 3.76Å; W89-F244 AromaticContact CE3-CE2 3.84Å; W89-F244 HydrophobicContact CE3-CE2 3.84Å; W89-F244 HydrophobicContact CG-CD2 4.34Å; W89-F244 AromaticContact CH2-CD2 3.97Å; W89-F244 HydrophobicContact CH2-CD2 3.97Å; W89-F244 AromaticContact CH2-CE2 3.93Å; W89-F244 HydrophobicContact CH2-CE2 3.93Å; W89-F244 AromaticContact CZ2-CD2 3.89Å; W89-F244 HydrophobicContact CZ2-CD2 3.89Å; W89-F244 HydrophobicContact CZ2-CE2 4.32Å; W89-F244 AromaticContact CZ3-CD2 3.9Å; W89-F244 HydrophobicContact CZ3-CD2 3.9Å; W89-F244 AromaticContact CZ3-CE2 3.66Å; W89-F244 HydrophobicContact CZ3-CE2 3.66Å; W89-F247 HydrophobicContact CB-CB 3.68Å; W89-F247 HydrophobicContact CB-CD2 3.78Å; W89-F247 HydrophobicContact CB-CG 4Å
90M93Very high95Very high1 Ų126.3 Ų26.31%0.00514%0.135CC..Hα-helixtrans-55.1-33.4169.9-168.563.499.400112.1F87 L88 V92 G93 Q94 F247 W255 F417 L524F87-M90 HydrophobicContact CD1-CB 4.23Å; F87-M90 HydrophobicContact CE1-CB 4.11Å; F87-M90 HydrophobicContact CE1-CG 4.3Å; F87-M90 HydrophobicContact CZ-CE 4.28Å; F87-M90 WeakPolarHBondContact O-CB 3.47Å; F87-M90 PolarHBondContact O-N 2.86Å; L88-M90 PolarHBondContact O-N 3.41Å; L88-M90 VanDerWaalsContact O-N 3.13Å; M90-V92 VanDerWaalsContact C-N 3.28Å; M90-V92 PolarHBondContact O-N 3.07Å; M90-G93 PolarHBondContact O-N 3.31Å; M90-Q94 HydrophobicContact CG-CG 4.43Å; M90-Q94 WeakPolarHBondContact O-CB 3.45Å; M90-Q94 VanDerWaalsContact O-CG 3.29Å; M90-Q94 WeakPolarHBondContact O-CG 3.27Å; M90-Q94 PolarHBondContact O-N 3.44Å; M90-F247 HydrophobicContact CB-CD1 3.77Å; M90-F247 HydrophobicContact CB-CE1 4.09Å; M90-F247 HydrophobicContact CB-CG 4.49Å; M90-F247 HydrophobicContact CE-CD1 3.71Å; M90-F247 HydrophobicContact CE-CE1 3.73Å; M90-F247 HydrophobicContact CG-CD1 4.33Å; M90-F247 HydrophobicContact SD-CD1 3.7Å; M90-F247 HydrophobicContact SD-CE1 4.27Å; M90-W255 PolarHBondContact SD-NE1 2.86Å; M90-F417 HydrophobicContact CE-CE1 4.45Å; M90-F417 HydrophobicContact CE-CE2 4.35Å; M90-F417 HydrophobicContact CE-CZ 4.02Å; M90-L524 HydrophobicContact CE-CD1 4.01Å; M90-L524 HydrophobicContact CE-CD2 3.77Å
91C94.3Very high95Very high9 Ų926.3 Ų26.36%0.06114%0.135CC..Hα-helixtrans-64.4-33.1177.4-58.20000112.2L88 W89 L95 Q286 F290L88-C91 VanDerWaalsContact O-CB 3.28Å; L88-C91 WeakPolarHBondContact O-CB 3.33Å; L88-C91 PolarHBondContact O-N 3.48Å; L88-C91 PolarHBondContact O-SG 3.44Å; W89-C91 PolarHBondContact O-N 3.36Å; C91-L95 WeakPolarHBondContact O-CB 3.05Å; C91-L95 PolarHBondContact O-N 3.01Å; C91-Q286 PolarHBondContact O-NE2 3.28Å; C91-Q286 VanDerWaalsContact O-NE2 3.13Å; C91-F290 HydrophobicContact CB-CD2 3.89Å
92V95.2Very high94.9Very high52 Ų5226.8 Ų26.832%0.31514%0.138SC..Hα-helixtrans-72.8-41.2175.3179.60000110.4W89 M90 Q94 L95 L96 V248W89-V92 HydrophobicContact CE3-CB 4.2Å; W89-V92 HydrophobicContact CE3-CG2 3.69Å; W89-V92 HydrophobicContact CZ3-CG2 3.93Å; W89-V92 WeakPolarHBondContact O-CB 3.37Å; W89-V92 PolarHBondContact O-N 3.24Å; M90-V92 VanDerWaalsContact C-N 3.28Å; M90-V92 PolarHBondContact O-N 3.07Å; V92-Q94 PolarHBondContact O-N 3.22Å; V92-L95 PolarHBondContact O-N 3.2Å; V92-L96 HydrophobicContact CG1-CD1 4.42Å; V92-L96 WeakPolarHBondContact O-CG 3.29Å; V92-L96 PolarHBondContact O-N 3.33Å; V92-V248 HydrophobicContact CB-CG2 4.48Å; V92-V248 HydrophobicContact CG1-CG2 4.18Å
93G94.3Very high94.9Very high0 Ų030.2 Ų30.20%016%0.159CC..Hα-helixtrans-61-42.5172.500000112.8W89 M90 L96 N97 S252W89-G93 PolarHBondContact O-N 3.26Å; M90-G93 PolarHBondContact O-N 3.31Å; G93-L96 PolarHBondContact O-N 2.93Å; G93-N97 WeakPolarHBondContact O-CB 3.25Å; G93-N97 PolarHBondContact O-N 2.98Å; G93-S252 VanDerWaalsContact CA-OG 3.29Å; G93-S252 WeakPolarHBondContact CA-OG 3.33Å; G93-S252 PolarHBondContact O-OG 2.89Å
94Q93.5Very high94.8Very high0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-61.7-41.6172.9-73.7169.7-18.400112.3M90 V92 N97 S98 W255 Q286 L289M90-Q94 HydrophobicContact CG-CG 4.43Å; M90-Q94 WeakPolarHBondContact O-CB 3.45Å; M90-Q94 VanDerWaalsContact O-CG 3.29Å; M90-Q94 WeakPolarHBondContact O-CG 3.27Å; M90-Q94 PolarHBondContact O-N 3.44Å; V92-Q94 PolarHBondContact O-N 3.22Å; Q94-N97 WeakPolarHBondContact O-CB 3.17Å; Q94-N97 PolarHBondContact O-N 2.97Å; Q94-N97 PolarHBondContact O-ND2 3.28Å; Q94-S98 WeakPolarHBondContact O-CB 3.22Å; Q94-S98 PolarHBondContact O-N 2.94Å; Q94-S98 PolarHBondContact O-OG 2.84Å; Q94-W255 HydrophobicContact CG-CD2 3.82Å; Q94-W255 HydrophobicContact CG-CG 3.83Å; Q94-W255 HydrophobicContact CG-CZ2 4.25Å; Q94-Q286 PolarHBondContact O-OE1 3.27Å; Q94-Q286 VanDerWaalsContact O-OE1 3.07Å; Q94-L289 HydrophobicContact CB-CD1 4.43Å; Q94-L289 HydrophobicContact CG-CD1 4.34Å
95L95Very high94.8Very high75 Ų7532.1 Ų32.139%0.39317%0.169SC..Hα-helixtrans-63.6-47.4177.717464000111.4C91 V92 N97 S98 L99 Q286C91-L95 WeakPolarHBondContact O-CB 3.05Å; C91-L95 PolarHBondContact O-N 3.01Å; V92-L95 PolarHBondContact O-N 3.2Å; L95-N97 PolarHBondContact O-N 3.09Å; L95-S98 PolarHBondContact O-N 3.39Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 4.4Å; L95-L99 HydrophobicContact CD1-CG 4.43Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.25Å; L95-L99 PolarHBondContact O-N 2.89Å; L95-Q286 HydrophobicContact CB-CG 4.29Å; L95-Q286 HydrophobicContact CD1-CG 3.9Å
96L96Very high94.7Very high69 Ų6931.1 Ų31.136%0.36116%0.164SC..Hα-helixtrans-59.8-45.6175.7-69.9172.9000111.2V92 G93 S98 L99 L100 V248V92-L96 HydrophobicContact CG1-CD1 4.42Å; V92-L96 WeakPolarHBondContact O-CG 3.29Å; V92-L96 PolarHBondContact O-N 3.33Å; G93-L96 PolarHBondContact O-N 2.93Å; L96-S98 PolarHBondContact O-N 3.44Å; L96-L99 PolarHBondContact O-N 3.47Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.28Å; L96-V248 HydrophobicContact CD1-CG1 3.88Å
97N94.6Very high94.6Very high0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-54.2-49.8170.2148.762.1000112.3G93 Q94 L95 L99 L100 T101 W255 L256 Y259G93-N97 WeakPolarHBondContact O-CB 3.25Å; G93-N97 PolarHBondContact O-N 2.98Å; Q94-N97 WeakPolarHBondContact O-CB 3.17Å; Q94-N97 PolarHBondContact O-N 2.97Å; Q94-N97 PolarHBondContact O-ND2 3.28Å; L95-N97 PolarHBondContact O-N 3.09Å; N97-L99 VanDerWaalsContact C-N 3.28Å; N97-L99 PolarHBondContact O-N 2.93Å; N97-L100 PolarHBondContact O-N 3.24Å; N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3.34Å; N97-T101 PolarHBondContact O-OG1 3.07Å; N97-T101 PolarHBondContact OD1-OG1 2.81Å; N97-W255 HydrophobicContact CB-CB 3.76Å; N97-W255 VanDerWaalsContact CG-C 3.48Å; N97-W255 PolarHBondContact OD1-O 3.43Å; N97-W255 VanDerWaalsContact OD1-O 3.11Å; N97-L256 HydrophobicContact CB-CB 4.49Å; N97-L256 WeakPolarHBondContact OD1-CA 3.31Å; N97-L256 PolarHBondContact OD1-N 3.34Å; N97-Y259 WeakPolarHBondContact ND2-CD2 3.22Å; N97-Y259 WeakPolarHBondContact OD1-CB 3.41Å
98S94.2Very high94.6Very high7 Ų730.7 Ų30.75%0.04916%0.163CC..Hα-helixtrans-62.5-37.9-175.8-68.40000111.3Q94 L95 L96 A102 Q286Q94-S98 WeakPolarHBondContact O-CB 3.22Å; Q94-S98 PolarHBondContact O-N 2.94Å; Q94-S98 PolarHBondContact O-OG 2.84Å; L95-S98 PolarHBondContact O-N 3.39Å; L95-S98 VanDerWaalsContact O-N 3.14Å; L96-S98 PolarHBondContact O-N 3.44Å; S98-A102 VanDerWaalsContact O-CB 3.26Å; S98-A102 WeakPolarHBondContact O-CB 3.28Å; S98-A102 PolarHBondContact O-N 3.3Å; S98-Q286 PolarHBondContact OG-OE1 3.36Å
99L95.9Very high94.6Very high92 Ų9228.9 Ų28.948%0.48215%0.153SC..Hα-helixtrans-65.8-49.6172.6-66.8171.6000111.9L95 L96 N97 T101 A102 L103L95-L99 HydrophobicContact CD1-CD1 4.4Å; L95-L99 HydrophobicContact CD1-CG 4.43Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.25Å; L95-L99 PolarHBondContact O-N 2.89Å; L96-L99 PolarHBondContact O-N 3.47Å; N97-L99 VanDerWaalsContact C-N 3.28Å; N97-L99 PolarHBondContact O-N 2.93Å; L99-T101 VanDerWaalsContact C-N 3.33Å; L99-T101 PolarHBondContact O-N 3.04Å; L99-A102 PolarHBondContact O-N 3.48Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.3Å
100L95.9Very high94.4Very high69 Ų6928.5 Ų28.536%0.36115%0.152SC..Hα-helixtrans-61.1-40.7177.8-70171.8000112L96 N97 L103 L104 L256L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.42Å; L96-L100 PolarHBondContact O-N 3.28Å; N97-L100 PolarHBondContact O-N 3.24Å; L100-L103 PolarHBondContact O-N 3.02Å; L100-L104 HydrophobicContact CD2-CD1 3.91Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 PolarHBondContact O-N 3.41Å; L100-L256 HydrophobicContact CB-CD1 3.77Å; L100-L256 HydrophobicContact CB-CD2 4.35Å; L100-L256 HydrophobicContact CD1-CD2 4.04Å
101T96Very high94.3Very high0 Ų032.6 Ų32.60%017%0.167CC..Iπ-helixtrans-61.5-49.5173.8-63.80000111N97 L99 L103 F105 L106 Y259 G260 Y269 L282N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3.34Å; N97-T101 PolarHBondContact O-OG1 3.07Å; N97-T101 PolarHBondContact OD1-OG1 2.81Å; L99-T101 VanDerWaalsContact C-N 3.33Å; L99-T101 PolarHBondContact O-N 3.04Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 3.37Å; T101-F105 PolarHBondContact O-N 3.17Å; T101-L106 VanDerWaalsContact O-CB 3.28Å; T101-L106 WeakPolarHBondContact O-CB 3.35Å; T101-L106 PolarHBondContact O-N 3.42Å; T101-Y259 WeakPolarHBondContact CG2-O 3.26Å; T101-G260 PolarHBondContact OG1-N 2.76Å; T101-Y269 HydrophobicContact CG2-CE1 4.02Å; T101-L282 HydrophobicContact CG2-CD1 3.77Å; T101-L282 HydrophobicContact CG2-CD2 4.24Å
102A95.6Very high94Very high15 Ų1534.4 Ų34.412%0.12418%0.176CC..Iπ-helixtrans-65.1-29.4-179.100000113.8S98 L99 K279 L282S98-A102 VanDerWaalsContact O-CB 3.26Å; S98-A102 WeakPolarHBondContact O-CB 3.28Å; S98-A102 PolarHBondContact O-N 3.3Å; L99-A102 PolarHBondContact O-N 3.48Å; A102-K279 HydrophobicContact CB-CG 4.23Å; A102-K279 WeakPolarHBondContact O-CE 3.4Å; A102-L282 HydrophobicContact CB-CD1 3.78Å
103L93.9Very high93.5Very high106 Ų10633.2 Ų33.256%0.55517%0.174SC*.Iπ-helixtrans-92.1-45.5-177.5-67.7173.6000113.2L99 L100 T101 W559L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.32Å; L99-L103 PolarHBondContact O-N 3.3Å; L100-L103 PolarHBondContact O-N 3.02Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 3.37Å; L103-W559 PolarHBondContact O-NE1 2.89Å
104L93.7Very high92.9Very high37 Ų3734.6 Ų34.619%0.19418%0.181CC..Iπ-helixtrans-98-48.3-169-56.2179000113.1L100 I108 W559L100-L104 HydrophobicContact CD2-CD1 3.91Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 3.43Å; L100-L104 PolarHBondContact O-N 3.41Å; L104-I108 WeakPolarHBondContact O-CD1 3.29Å; L104-W559 HydrophobicContact CD2-CD2 4.09Å; L104-W559 HydrophobicContact CD2-CG 4.35Å; L104-W559 HydrophobicContact CD2-CZ2 4.14Å
105F94.9Very high92.3Very high5 Ų535.8 Ų35.82%0.02219%0.189CC..Iπ-helixtrans-95.4-50.2-167.3-64.9-90.6000113T101 I108 F109 L256 G260 V261 L428 F431 M435T101-F105 PolarHBondContact O-N 3.17Å; F105-I108 PolarHBondContact O-N 2.84Å; F105-I108 VanDerWaalsContact O-N 3.12Å; F105-F109 HydrophobicContact CB-CD2 4.45Å; F105-F109 HydrophobicContact CB-CE2 4.24Å; F105-F109 HydrophobicContact CD1-CE2 4.48Å; F105-F109 WeakPolarHBondContact O-CD2 3.49Å; F105-F109 PolarHBondContact O-N 3Å; F105-L256 HydrophobicContact CD2-CD1 4.05Å; F105-L256 HydrophobicContact CE2-CD1 3.8Å; F105-L256 HydrophobicContact CE2-CD2 4.09Å; F105-L256 HydrophobicContact CE2-CG 4.09Å; F105-G260 WeakPolarHBondContact CB-O 3.16Å; F105-V261 HydrophobicContact CD1-CG1 3.63Å; F105-V261 HydrophobicContact CE1-CG1 3.59Å; F105-L428 HydrophobicContact CE1-CD1 4.05Å; F105-L428 HydrophobicContact CE2-CD1 4.5Å; F105-L428 HydrophobicContact CZ-CD1 3.71Å; F105-F431 HydrophobicContact CE1-CB 4.38Å; F105-M435 HydrophobicContact CD1-CE 4.09Å; F105-M435 HydrophobicContact CD1-SD 3.46Å; F105-M435 WeakPolarHBondContact CD1-SD 3.01Å; F105-M435 HydrophobicContact CE1-SD 3.71Å; F105-M435 HydrophobicContact CG-SD 4.35Å
106L94.3Very high92.1Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-54.8-44.8-176175.9160.4000113.4T101 I108 F109 Y110 Y269 E275 A278 K279 L282T101-L106 VanDerWaalsContact O-CB 3.28Å; T101-L106 WeakPolarHBondContact O-CB 3.35Å; T101-L106 PolarHBondContact O-N 3.42Å; L106-I108 PolarHBondContact O-N 3.31Å; L106-F109 PolarHBondContact O-N 3.38Å; L106-Y110 WeakPolarHBondContact O-CB 3.13Å; L106-Y110 PolarHBondContact O-N 3.39Å; L106-Y269 HydrophobicContact CB-CD2 4.29Å; L106-Y269 HydrophobicContact CB-CE2 3.75Å; L106-Y269 HydrophobicContact CD1-CD2 3.67Å; L106-Y269 HydrophobicContact CD1-CE2 3.99Å; L106-Y269 HydrophobicContact CD1-CG 3.97Å; L106-Y269 HydrophobicContact CG-CD2 3.67Å; L106-Y269 HydrophobicContact CG-CE2 3.61Å; L106-Y269 HydrophobicContact CG-CG 4.46Å; L106-E275 HydrophobicContact CD2-CG 3.71Å; L106-A278 HydrophobicContact CD1-CB 3.84Å; L106-A278 HydrophobicContact CD2-CB 4.22Å; L106-A278 HydrophobicContact CG-CB 4.36Å; L106-K279 HydrophobicContact CD1-CG 4.12Å; L106-K279 HydrophobicContact CD2-CG 3.9Å; L106-L282 HydrophobicContact CD1-CD1 3.48Å; L106-L282 VanDerWaalsContact CD1-CD1 3.48Å; L106-L282 HydrophobicContact CD1-CG 4.26Å
107P93.3Very high92Very high10 Ų1029.1 Ų29.17%0.06515%0.154CC..Hα-helixtrans-62.1-32.3-179-24.436.1000113.2R111P107-R111 VanDerWaalsContact O-CB 3.27Å; P107-R111 WeakPolarHBondContact O-CB 3.27Å; P107-R111 WeakPolarHBondContact O-CD 3.23Å; P107-R111 WeakPolarHBondContact O-CG 3.36Å; P107-R111 PolarHBondContact O-N 3.34Å
108I93.3Very high92Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-69.1-55.7178.1-61.8166.5000109.9L104 F105 L106 Y110 R111 L112 Y120 M435 W559 L562L104-I108 WeakPolarHBondContact O-CD1 3.29Å; F105-I108 PolarHBondContact O-N 2.84Å; F105-I108 VanDerWaalsContact O-N 3.12Å; L106-I108 PolarHBondContact O-N 3.31Å; I108-Y110 PolarHBondContact O-N 3.37Å; I108-R111 PolarHBondContact O-N 3.41Å; I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.36Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.27Å; I108-L112 PolarHBondContact O-N 2.85Å; I108-Y120 HydrophobicContact CG2-CD2 3.94Å; I108-Y120 HydrophobicContact CG2-CE2 3.87Å; I108-M435 HydrophobicContact CB-CE 4.18Å; I108-M435 HydrophobicContact CD1-CB 3.93Å; I108-M435 HydrophobicContact CD1-CE 3.87Å; I108-M435 HydrophobicContact CD1-CG 3.61Å; I108-M435 HydrophobicContact CD1-SD 3.6Å; I108-M435 VanDerWaalsContact CD1-SD 3.6Å; I108-M435 HydrophobicContact CG2-CE 4.01Å; I108-W559 HydrophobicContact CD1-CB 4.14Å; I108-L562 HydrophobicContact CB-CD1 4.01Å; I108-L562 HydrophobicContact CG1-CD1 3.5Å
109F93.4Very high92Very high3 Ų330.3 Ų30.31%0.01316%0.159CC..Hα-helixtrans-63.1-40.7-178.9-65.7-60.5000112.8F105 L106 G113 T117 G260 V266 V270 F431 M435F105-F109 HydrophobicContact CB-CD2 4.45Å; F105-F109 HydrophobicContact CB-CE2 4.24Å; F105-F109 HydrophobicContact CD1-CE2 4.48Å; F105-F109 WeakPolarHBondContact O-CD2 3.49Å; F105-F109 PolarHBondContact O-N 3Å; L106-F109 PolarHBondContact O-N 3.38Å; F109-G113 PolarHBondContact O-N 2.9Å; F109-T117 HydrophobicContact CD1-CG2 4.07Å; F109-T117 HydrophobicContact CE1-CG2 3.81Å; F109-T117 HydrophobicContact CE2-CG2 4.5Å; F109-T117 HydrophobicContact CZ-CG2 4.03Å; F109-G260 VanDerWaalsContact CE2-O 3.29Å; F109-G260 WeakPolarHBondContact CE2-O 3.34Å; F109-V266 HydrophobicContact CB-CG1 3.59Å; F109-V266 HydrophobicContact CD1-CG1 4.3Å; F109-V266 HydrophobicContact CD2-CG1 3.83Å; F109-V266 HydrophobicContact CD2-CG2 4.21Å; F109-V266 HydrophobicContact CE2-CG2 4.31Å; F109-V266 HydrophobicContact CG-CG1 3.66Å; F109-V270 HydrophobicContact CB-CG1 4.25Å; F109-F431 AromaticContact CE1-CE1 3.95Å; F109-F431 HydrophobicContact CE1-CE1 3.95Å; F109-F431 AromaticContact CZ-CD1 3.92Å; F109-F431 HydrophobicContact CZ-CD1 3.92Å; F109-F431 AromaticContact CZ-CE1 3.66Å; F109-F431 HydrophobicContact CZ-CE1 3.66Å; F109-F431 HydrophobicContact CZ-CZ 4.4Å; F109-M435 HydrophobicContact CD2-CE 4.46Å; F109-M435 HydrophobicContact CE1-CE 4.14Å; F109-M435 HydrophobicContact CE2-CE 3.71Å; F109-M435 HydrophobicContact CZ-CE 3.53Å
110Y91.4Very high92Very high48 Ų4826 Ų2619%0.18814%0.136CC..Hα-helixtrans-63.5-43.8179.8-166.3-76.4000112L106 I108 G113 V270 C272 H273 T274 E275 A278L106-Y110 WeakPolarHBondContact O-CB 3.13Å; L106-Y110 PolarHBondContact O-N 3.39Å; I108-Y110 PolarHBondContact O-N 3.37Å; Y110-G113 PolarHBondContact O-N 3.48Å; Y110-V270 HydrophobicContact CD2-CB 4.43Å; Y110-V270 HydrophobicContact CD2-CG1 4.37Å; Y110-C272 WeakPolarHBondContact CE2-O 3.21Å; Y110-C272 PolarHBondContact OH-O 3.47Å; Y110-H273 PolarHBondContact OH-O 2.9Å; Y110-H273 VanDerWaalsContact OH-O 3.07Å; Y110-T274 VanDerWaalsContact CZ-C 3.45Å; Y110-T274 WeakPolarHBondContact OH-CA 3.4Å; Y110-T274 PolarHBondContact OH-N 3.01Å; Y110-T274 VanDerWaalsContact OH-N 3.14Å; Y110-E275 HydrophobicContact CD1-CB 3.93Å; Y110-E275 HydrophobicContact CD1-CG 4.3Å; Y110-E275 HydrophobicContact CE1-CB 4.15Å; Y110-E275 HydrophobicContact CG-CB 4.22Å; Y110-E275 HydrophobicContact CG-CG 4.25Å; Y110-A278 HydrophobicContact CD2-CB 3.95Å; Y110-A278 HydrophobicContact CE2-CB 4.09Å
111R91Very high92.1Very high87 Ų8722.7 Ų22.733%0.32812%0.119SC..Hα-helixtrans-82.4-33.4-174.6-66.6174.3-175.8-1593.6113.9P107 I108 G113 E275 L562 T566P107-R111 VanDerWaalsContact O-CB 3.27Å; P107-R111 WeakPolarHBondContact O-CB 3.27Å; P107-R111 WeakPolarHBondContact O-CD 3.23Å; P107-R111 WeakPolarHBondContact O-CG 3.36Å; P107-R111 PolarHBondContact O-N 3.34Å; I108-R111 PolarHBondContact O-N 3.41Å; R111-G113 PolarHBondContact O-N 3.21Å; R111-E275 IonicContact CZ-OE2 3.95Å; R111-E275 VanDerWaalsContact CZ-OE2 3.28Å; R111-E275 IonicContact NE-OE2 3.45Å; R111-E275 PolarHBondContact NE-OE2 3.25Å; R111-E275 IonicContact NH2-OE1 2.95Å; R111-E275 IonicContact NH2-OE2 2.84Å; R111-E275 PolarHBondContact NH2-OE2 2.93Å; R111-L562 HydrophobicContact CB-CD2 4.41Å; R111-L562 PolarHBondContact NH1-O 3.14Å; R111-T566 PolarHBondContact NH1-OG1 3.43Å; R111-T566 PolarHBondContact NH2-OG1 3.27Å; R111-T566 VanDerWaalsContact NH2-OG1 3.16Å
112L89.1Confident92.1Very high47 Ų4725.5 Ų25.525%0.24613%0.132CC..Hα-helixtrans-69.4-17.5171-65.6176.2000111.9I108 L114 Y120 L557I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.34Å; I108-L112 WeakPolarHBondContact O-CB 3.36Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.27Å; I108-L112 PolarHBondContact O-N 2.85Å; L112-L114 HydrophobicContact CB-CD1 4.04Å; L112-L114 HydrophobicContact CB-CD2 4.39Å; L112-L114 HydrophobicContact CB-CG 3.76Å; L112-L114 HydrophobicContact CD1-CD1 4.06Å; L112-L114 PolarHBondContact O-N 3.36Å; L112-L114 VanDerWaalsContact O-N 3.15Å; L112-Y120 HydrophobicContact CD1-CD2 3.79Å; L112-Y120 HydrophobicContact CD1-CE2 4.43Å; L112-L557 HydrophobicContact CD1-CD2 4.25Å
113G84Confident92Very high27 Ų2729.5 Ų29.528%0.27815%0.151SC..THydrogen-bonded Turntrans63.222.6174.200000113.9R52 F109 Y110 R111R52-G113 PolarHBondContact NH2-O 2.87Å; F109-G113 PolarHBondContact O-N 2.9Å; Y110-G113 PolarHBondContact O-N 3.48Å; R111-G113 PolarHBondContact O-N 3.21Å
114L82.6Confident92.1Very high29 Ų2924.9 Ų24.915%0.15213%0.126CC..  trans-68.8150.2-177.3-57.1175.8000111L112 Q119 L123L112-L114 HydrophobicContact CB-CD1 4.04Å; L112-L114 HydrophobicContact CB-CD2 4.39Å; L112-L114 HydrophobicContact CB-CG 3.76Å; L112-L114 HydrophobicContact CD1-CD1 4.06Å; L112-L114 PolarHBondContact O-N 3.36Å; L112-L114 VanDerWaalsContact O-N 3.15Å; L114-Q119 HydrophobicContact CB-CB 4.45Å; L114-Q119 HydrophobicContact CD1-CB 4.02Å; L114-Q119 HydrophobicContact CD2-CB 4.04Å; L114-Q119 HydrophobicContact CG-CB 4.39Å; L114-L123 HydrophobicContact CD1-CD1 4.36Å; L114-L123 HydrophobicContact CD2-CD1 4.13Å
115T79.5Confident92.2Very high26 Ų2624.4 Ų24.416%0.1612%0.122CC..SBendtrans-92.7-40174.2-57.50000111.1Q263 E368T115-Q263 PolarHBondContact O-NE2 3.06Å; T115-E368 HydrophobicContact CG2-CG 3.64Å
116S91.6Very high92.3Very high1 Ų125.7 Ų25.71%0.00713%0.132CC..SBendtrans-100.2133.7170167.10000110.4Y118 Q119 D369S116-Y118 PolarHBondContact O-N 3.49Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.37Å; S116-Y118 PolarHBondContact OG-N 3.47Å; S116-Y118 VanDerWaalsContact OG-N 3.08Å; S116-Q119 WeakPolarHBondContact O-CB 3.48Å; S116-Q119 PolarHBondContact O-N 3.17Å; S116-D369 VanDerWaalsContact CB-OD1 3.26Å; S116-D369 WeakPolarHBondContact CB-OD1 3.19Å; S116-D369 WeakPolarHBondContact CB-OD2 2.99Å; S116-D369 VanDerWaalsContact OG-CG 3.28Å; S116-D369 PolarHBondContact OG-OD1 3.06Å; S116-D369 PolarHBondContact OG-OD2 3.19Å
117T93.7Very high92.4Very high2 Ų230.7 Ų30.71%0.01215%0.151CC..THydrogen-bonded Turntrans-61.2-29.4171.6570000111.9F109 Q119 Y120 V261 V266 F431F109-T117 HydrophobicContact CD1-CG2 4.07Å; F109-T117 HydrophobicContact CE1-CG2 3.81Å; F109-T117 HydrophobicContact CE2-CG2 4.5Å; F109-T117 HydrophobicContact CZ-CG2 4.03Å; T117-Q119 VanDerWaalsContact C-N 3.27Å; T117-Q119 PolarHBondContact O-N 2.74Å; T117-Y120 VanDerWaalsContact O-CB 3.27Å; T117-Y120 WeakPolarHBondContact O-CB 3.17Å; T117-Y120 PolarHBondContact O-N 3.37Å; T117-Y120 VanDerWaalsContact O-N 3.15Å; T117-V261 PolarHBondContact OG1-O 3.38Å; T117-V266 HydrophobicContact CG2-CB 3.53Å; T117-V266 HydrophobicContact CG2-CG1 3.64Å; T117-V266 HydrophobicContact CG2-CG2 3.57Å; T117-F431 WeakPolarHBondContact O-CE1 3.35Å
118Y95.5Very high92.6Very high2 Ų232.4 Ų32.41%0.00817%0.166CC..Hα-helixtrans-73.7-16.5-178.5-49.3-68.1000112.8S116 Y120 L121 E122 R130 Y137 Q263 V365 F431S116-Y118 PolarHBondContact O-N 3.49Å; S116-Y118 WeakPolarHBondContact OG-CD2 3.37Å; S116-Y118 PolarHBondContact OG-N 3.47Å; S116-Y118 VanDerWaalsContact OG-N 3.08Å; Y118-Y120 PolarHBondContact O-N 3.03Å; Y118-L121 HydrophobicContact CD1-CD1 3.98Å; Y118-L121 WeakPolarHBondContact O-CB 3.28Å; Y118-L121 PolarHBondContact O-N 3.11Å; Y118-L121 VanDerWaalsContact O-N 3.07Å; Y118-E122 PolarHBondContact O-N 3.4Å; Y118-R130 WeakPolarHBondContact O-CB 3.24Å; Y118-R130 VanDerWaalsContact O-CG 3.28Å; Y118-R130 WeakPolarHBondContact O-CG 3.36Å; Y118-Y137 AromaticContact CE2-CD1 3.88Å; Y118-Y137 HydrophobicContact CE2-CD1 3.88Å; Y118-Y137 HydrophobicContact CE2-CD2 4.36Å; Y118-Y137 AromaticContact CE2-CG 3.7Å; Y118-Y137 HydrophobicContact CE2-CG 3.7Å; Y118-Y137 VanDerWaalsContact CZ-CB 3.48Å; Y118-Y137 AromaticContact CZ-CG 3.69Å; Y118-Y137 VanDerWaalsContact OH-CB 3.28Å; Y118-Y137 WeakPolarHBondContact OH-CB 3.41Å; Y118-Y137 WeakPolarHBondContact OH-CD2 3.42Å; Y118-Y137 VanDerWaalsContact OH-CG 3.22Å; Y118-Q263 HydrophobicContact CE2-CB 4.37Å; Y118-V365 HydrophobicContact CD2-CG1 4.1Å; Y118-V365 HydrophobicContact CD2-CG2 4.26Å; Y118-V365 HydrophobicContact CE2-CG1 4.37Å; Y118-V365 HydrophobicContact CE2-CG2 4.08Å; Y118-F431 HydrophobicContact CD1-CE2 4.12Å; Y118-F431 AromaticContact CD1-CZ 3.95Å; Y118-F431 HydrophobicContact CD1-CZ 3.95Å; Y118-F431 AromaticContact CE1-CE2 3.86Å; Y118-F431 HydrophobicContact CE1-CE2 3.86Å; Y118-F431 HydrophobicContact CE1-CZ 4.04Å
119Q94.4Very high92.8Very high31 Ų3132.4 Ų32.415%0.14517%0.166CC..Hα-helixtrans-56.9-35.6167.3-75.9167.6-12.600111.7L114 S116 T117 L121 E122 L123 R130 E368L114-Q119 HydrophobicContact CB-CB 4.45Å; L114-Q119 HydrophobicContact CD1-CB 4.02Å; L114-Q119 HydrophobicContact CD2-CB 4.04Å; L114-Q119 HydrophobicContact CG-CB 4.39Å; S116-Q119 WeakPolarHBondContact O-CB 3.48Å; S116-Q119 PolarHBondContact O-N 3.17Å; T117-Q119 VanDerWaalsContact C-N 3.27Å; T117-Q119 PolarHBondContact O-N 2.74Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 2.69Å; Q119-E122 PolarHBondContact O-N 3.11Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.31Å; Q119-R130 VanDerWaalsContact CG-CZ 3.46Å; Q119-E368 PolarHBondContact NE2-OE2 2.97Å
120Y95.8Very high92.9Very high0 Ų033.2 Ų33.20%017%0.169CC..Hα-helixtrans-59.5-39175.2170.8-92.5000112I108 L112 T117 Y118 E122 L123 R124 F431 G434 M435 L557I108-Y120 HydrophobicContact CG2-CD2 3.94Å; I108-Y120 HydrophobicContact CG2-CE2 3.87Å; L112-Y120 HydrophobicContact CD1-CD2 3.79Å; L112-Y120 HydrophobicContact CD1-CE2 4.43Å; T117-Y120 VanDerWaalsContact O-CB 3.27Å; T117-Y120 WeakPolarHBondContact O-CB 3.17Å; T117-Y120 PolarHBondContact O-N 3.37Å; T117-Y120 VanDerWaalsContact O-N 3.15Å; Y118-Y120 PolarHBondContact O-N 3.03Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; Y120-E122 PolarHBondContact O-N 3.41Å; Y120-L123 PolarHBondContact O-N 3.42Å; Y120-R124 HydrophobicContact CE1-CB 4.14Å; Y120-R124 HydrophobicContact CE1-CG 4.37Å; Y120-R124 VanDerWaalsContact O-CB 3.29Å; Y120-R124 WeakPolarHBondContact O-CB 3.26Å; Y120-R124 PolarHBondContact O-N 3.19Å; Y120-F431 AromaticContact CD1-CD1 3.57Å; Y120-F431 HydrophobicContact CD1-CD1 3.57Å; Y120-F431 AromaticContact CD1-CE1 3.67Å; Y120-F431 HydrophobicContact CD1-CE1 3.67Å; Y120-F431 HydrophobicContact CE1-CD1 4.04Å; Y120-F431 HydrophobicContact CG-CE1 4.33Å; Y120-G434 PolarHBondContact OH-O 3.03Å; Y120-M435 HydrophobicContact CD1-CE 4.24Å; Y120-M435 HydrophobicContact CE1-CE 4.09Å; Y120-M435 HydrophobicContact CE1-CG 3.8Å; Y120-M435 HydrophobicContact CE2-CE 4.38Å; Y120-M435 HydrophobicContact CE2-CG 4.27Å; Y120-M435 HydrophobicContact CG-CE 4.47Å; Y120-M435 VanDerWaalsContact OH-CA 3.26Å; Y120-M435 WeakPolarHBondContact OH-CA 3.46Å; Y120-M435 VanDerWaalsContact OH-CG 3.22Å; Y120-M435 WeakPolarHBondContact OH-CG 3.26Å; Y120-M435 PolarHBondContact OH-N 3.45Å; Y120-M435 VanDerWaalsContact OH-N 3.11Å; Y120-L557 HydrophobicContact CD2-CD2 4.21Å; Y120-L557 HydrophobicContact CE2-CB 4.39Å; Y120-L557 HydrophobicContact CE2-CD2 4.08Å; Y120-L557 WeakPolarHBondContact CE2-O 3.4Å; Y120-L557 PolarHBondContact OH-O 3.03Å
121L96.7Very high93.2Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-69.1-29179.6-61177.2000112.5Y118 Q119 F125 S126 V129 F431Y118-L121 HydrophobicContact CD1-CD1 3.98Å; Y118-L121 WeakPolarHBondContact O-CB 3.28Å; Y118-L121 PolarHBondContact O-N 3.11Å; Y118-L121 VanDerWaalsContact O-N 3.07Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 2.69Å; L121-F125 HydrophobicContact CD2-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CE2 4.39Å; L121-F125 WeakPolarHBondContact O-CA 3.3Å; L121-F125 WeakPolarHBondContact O-CB 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; L121-S126 PolarHBondContact O-N 2.9Å; L121-V129 HydrophobicContact CB-CB 4.35Å; L121-V129 HydrophobicContact CB-CG1 3.98Å; L121-V129 HydrophobicContact CD1-CG1 4.22Å; L121-V129 HydrophobicContact CD2-CG1 4.45Å; L121-V129 HydrophobicContact CG-CG1 4.45Å; L121-F431 HydrophobicContact CD1-CE1 4.38Å; L121-F431 HydrophobicContact CD1-CE2 3.95Å; L121-F431 HydrophobicContact CD1-CZ 3.87Å; L121-F431 HydrophobicContact CD2-CD1 3.85Å; L121-F431 HydrophobicContact CD2-CD2 4.4Å; L121-F431 HydrophobicContact CD2-CE1 3.89Å; L121-F431 HydrophobicContact CD2-CE2 4.43Å; L121-F431 HydrophobicContact CD2-CG 4.12Å; L121-F431 HydrophobicContact CD2-CZ 4.19Å; L121-F431 HydrophobicContact CG-CD1 4.33Å; L121-F431 HydrophobicContact CG-CE1 3.85Å; L121-F431 HydrophobicContact CG-CE2 4.31Å; L121-F431 HydrophobicContact CG-CZ 3.83Å
122E96.2Very high93.5Very high59 Ų5932 Ų3228%0.27618%0.175SC..Hα-helixtrans-72.5-45.4170.7178.2163.1-149.500111.6Y118 Q119 Y120 R124 F125 S126 R127 R130Y118-E122 PolarHBondContact O-N 3.4Å; Q119-E122 PolarHBondContact O-N 3.11Å; Y120-E122 VanDerWaalsContact C-N 3.32Å; Y120-E122 PolarHBondContact O-N 3.41Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3Å; E122-F125 PolarHBondContact O-N 3.41Å; E122-S126 PolarHBondContact O-N 3.29Å; E122-R127 HydrophobicContact CG-CB 4.43Å; E122-R127 WeakPolarHBondContact OE1-CB 3.18Å; E122-R127 VanDerWaalsContact OE1-CG 3.32Å; E122-R127 WeakPolarHBondContact OE1-CG 3.43Å; E122-R130 HydrophobicContact CB-CB 3.81Å; E122-R130 HydrophobicContact CB-CG 4.4Å; E122-R130 WeakPolarHBondContact OE2-CD 3.34Å; E122-R130 IonicContact OE2-CZ 3.1Å; E122-R130 IonicContact OE2-NE 3.53Å; E122-R130 IonicContact OE2-NH1 2.78Å; E122-R130 PolarHBondContact OE2-NH1 2.93Å
123L94.1Very high93.8Very high99 Ų9929.8 Ų29.852%0.51816%0.164SC..Hα-helixtrans-61.5-35177.2-67.2176.3000112.9L114 Q119 Y120 L557L114-L123 HydrophobicContact CD1-CD1 4.36Å; L114-L123 HydrophobicContact CD2-CD1 4.13Å; Q119-L123 WeakPolarHBondContact O-CG 3.4Å; Q119-L123 PolarHBondContact O-N 3.31Å; Y120-L123 PolarHBondContact O-N 3.42Å; L123-L557 HydrophobicContact CB-CD1 4.45Å; L123-L557 HydrophobicContact CB-CD2 3.79Å; L123-L557 HydrophobicContact CD1-CD2 4.38Å; L123-L557 WeakPolarHBondContact O-CD1 3.27Å
124R96Very high94.5Very high10 Ų1028.6 Ų28.64%0.03815%0.151CC..Hα-helixtrans-88.3-28.7-178.9177.358.4-172.386.7-0.4113.9Y120 E122 G434 L437 P438 C440Y120-R124 HydrophobicContact CE1-CB 4.14Å; Y120-R124 HydrophobicContact CE1-CG 4.37Å; Y120-R124 VanDerWaalsContact O-CB 3.29Å; Y120-R124 WeakPolarHBondContact O-CB 3.26Å; Y120-R124 PolarHBondContact O-N 3.19Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3Å; R124-G434 WeakPolarHBondContact CD-O 3.3Å; R124-G434 PolarHBondContact NE-O 2.9Å; R124-L437 PolarHBondContact NH2-O 2.96Å; R124-P438 PolarHBondContact NH2-O 3.28Å; R124-C440 PolarHBondContact NH1-O 3.38Å; R124-C440 PolarHBondContact NH2-O 3.32Å
125F96.2Very high95.1Very high26 Ų2632.6 Ų32.611%0.11417%0.172CC..THydrogen-bonded Turntrans-133.3-80-173.8-58.2-68.6000112.5L121 E122 V129 C440 T442 V445L121-F125 HydrophobicContact CD2-CD2 4.38Å; L121-F125 HydrophobicContact CD2-CE2 4.39Å; L121-F125 WeakPolarHBondContact O-CA 3.3Å; L121-F125 WeakPolarHBondContact O-CB 3.41Å; L121-F125 PolarHBondContact O-N 2.87Å; E122-F125 PolarHBondContact O-N 3.41Å; F125-V129 HydrophobicContact CB-CB 4.16Å; F125-V129 HydrophobicContact CB-CG2 3.69Å; F125-V129 HydrophobicContact CD2-CG1 4.23Å; F125-V129 HydrophobicContact CG-CG2 4.41Å; F125-C440 HydrophobicContact CE1-CB 4.07Å; F125-C440 HydrophobicContact CZ-CB 4.37Å; F125-T442 VanDerWaalsContact C-OG1 3.25Å; F125-T442 WeakPolarHBondContact CB-OG1 3.33Å; F125-T442 PolarHBondContact O-OG1 3.49Å; F125-V445 HydrophobicContact CD1-CG2 4.14Å; F125-V445 HydrophobicContact CD2-CG2 4.47Å; F125-V445 HydrophobicContact CE1-CB 4.48Å; F125-V445 HydrophobicContact CE1-CG2 3.54Å; F125-V445 HydrophobicContact CE2-CG1 4.31Å; F125-V445 HydrophobicContact CE2-CG2 3.92Å; F125-V445 HydrophobicContact CZ-CB 4.4Å; F125-V445 HydrophobicContact CZ-CG2 3.42Å; F125-V445 VanDerWaalsContact CZ-CG2 3.42Å
126S96.4Very high95.8Very high32 Ų3232.7 Ų32.722%0.22417%0.171CC..  trans-172165.3179.963.70000112.3L121 E122 A128 V129 R130 T442L121-S126 PolarHBondContact O-N 2.9Å; E122-S126 PolarHBondContact O-N 3.29Å; S126-A128 PolarHBondContact O-N 3.38Å; S126-V129 PolarHBondContact O-N 3.41Å; S126-R130 PolarHBondContact O-N 3.34Å; S126-T442 WeakPolarHBondContact OG-CG2 3.42Å; S126-T442 PolarHBondContact OG-OG1 2.94Å
127R96.2Very high96Very high106 Ų10632.8 Ų32.840%0.417%0.171SC..Hα-helixtrans-53.5-33.4173.7-162.5170.3-179.3174.35.1113.6E122 R130 L131E122-R127 HydrophobicContact CG-CB 4.43Å; E122-R127 WeakPolarHBondContact OE1-CB 3.18Å; E122-R127 VanDerWaalsContact OE1-CG 3.32Å; E122-R127 WeakPolarHBondContact OE1-CG 3.43Å; R127-R130 PolarHBondContact O-N 2.91Å; R127-L131 HydrophobicContact CG-CD1 4.34Å; R127-L131 HydrophobicContact CG-CG 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 3.16Å
128A97.3Very high96.2Very high46 Ų4633.3 Ų33.338%0.3817%0.174SC..Hα-helixtrans-61.3-45.2176.400000111.5S126 L131 C132 L446S126-A128 PolarHBondContact O-N 3.38Å; A128-L131 PolarHBondContact O-N 2.88Å; A128-C132 PolarHBondContact O-N 2.97Å; A128-C132 PolarHBondContact O-SG 2.94Å; A128-C132 VanDerWaalsContact O-SG 3.34Å; A128-L446 HydrophobicContact CB-CD1 4.36Å
129V97.4Very high96.2Very high0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-66.5-39.5178.5-168.90000111.2L121 F125 S126 C132 G133 T442 V445 L446 L449L121-V129 HydrophobicContact CB-CB 4.35Å; L121-V129 HydrophobicContact CB-CG1 3.98Å; L121-V129 HydrophobicContact CD1-CG1 4.22Å; L121-V129 HydrophobicContact CD2-CG1 4.45Å; L121-V129 HydrophobicContact CG-CG1 4.45Å; F125-V129 HydrophobicContact CB-CB 4.16Å; F125-V129 HydrophobicContact CB-CG2 3.69Å; F125-V129 HydrophobicContact CD2-CG1 4.23Å; F125-V129 HydrophobicContact CG-CG2 4.41Å; S126-V129 PolarHBondContact O-N 3.41Å; V129-C132 PolarHBondContact O-N 3.08Å; V129-G133 PolarHBondContact O-N 3.35Å; V129-T442 HydrophobicContact CG2-CG2 4.15Å; V129-V445 HydrophobicContact CG1-CG1 3.93Å; V129-L446 HydrophobicContact CG2-CD2 3.95Å; V129-L446 HydrophobicContact CG2-CG 4.04Å; V129-L449 HydrophobicContact CG1-CD1 4.35Å
130R96.9Very high96.2Very high19 Ų1934.9 Ų34.97%0.07219%0.186CC..Hα-helixtrans-58.4-46.4172173.3176.8-173.3-164.41.1112.1Y118 Q119 E122 S126 R127 G133 T134 E368 D369Y118-R130 WeakPolarHBondContact O-CB 3.24Å; Y118-R130 VanDerWaalsContact O-CG 3.28Å; Y118-R130 WeakPolarHBondContact O-CG 3.36Å; Q119-R130 VanDerWaalsContact CG-CZ 3.46Å; E122-R130 HydrophobicContact CB-CB 3.81Å; E122-R130 HydrophobicContact CB-CG 4.4Å; E122-R130 WeakPolarHBondContact OE2-CD 3.34Å; E122-R130 IonicContact OE2-CZ 3.1Å; E122-R130 IonicContact OE2-NE 3.53Å; E122-R130 IonicContact OE2-NH1 2.78Å; E122-R130 PolarHBondContact OE2-NH1 2.93Å; S126-R130 PolarHBondContact O-N 3.34Å; R127-R130 PolarHBondContact O-N 2.91Å; R130-G133 PolarHBondContact O-N 3.25Å; R130-T134 VanDerWaalsContact O-CB 3.32Å; R130-T134 WeakPolarHBondContact O-CB 3.28Å; R130-T134 PolarHBondContact O-N 2.68Å; R130-T134 PolarHBondContact O-OG1 2.84Å; R130-E368 PolarHBondContact NH2-O 3.49Å; R130-D369 IonicContact CZ-OD1 2.67Å; R130-D369 IonicContact NE-OD1 2.71Å; R130-D369 PolarHBondContact NE-OD1 3.07Å; R130-D369 IonicContact NH2-OD1 2.63Å; R130-D369 PolarHBondContact NH2-OD1 3.5Å
131L97.2Very high96.1Very high61 Ų6135.2 Ų35.232%0.31919%0.188SC..Hα-helixtrans-68.6-40.1-179.8-68.8176.2000112.6R127 A128 T134 L135 L370R127-L131 HydrophobicContact CG-CD1 4.34Å; R127-L131 HydrophobicContact CG-CG 4.49Å; R127-L131 WeakPolarHBondContact O-CG 3.36Å; R127-L131 PolarHBondContact O-N 3.16Å; A128-L131 PolarHBondContact O-N 2.88Å; L131-T134 WeakPolarHBondContact O-CB 3.45Å; L131-T134 PolarHBondContact O-N 2.98Å; L131-L135 WeakPolarHBondContact O-CB 3.39Å; L131-L135 PolarHBondContact O-N 3.34Å; L131-L370 HydrophobicContact CD2-CD2 3.54Å
132C96.8Very high96Very high49 Ų4937 Ų3733%0.33120%0.197SC..Hα-helixtrans-60.9-44.8171.5-69.30000111.5A128 V129 L135 Q136 L446A128-C132 PolarHBondContact O-N 2.97Å; A128-C132 PolarHBondContact O-SG 2.94Å; A128-C132 VanDerWaalsContact O-SG 3.34Å; V129-C132 PolarHBondContact O-N 3.08Å; C132-L135 PolarHBondContact O-N 2.75Å; C132-Q136 WeakPolarHBondContact O-CG 3.48Å; C132-Q136 PolarHBondContact O-N 3.45Å; C132-L446 HydrophobicContact CB-CD2 4.4Å
133G96.5Very high95.9Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-60.9-46.4176.600000112.9V129 R130 Y137V129-G133 PolarHBondContact O-N 3.35Å; R130-G133 PolarHBondContact O-N 3.25Å; G133-Y137 WeakPolarHBondContact O-CB 3.37Å; G133-Y137 PolarHBondContact O-N 3.49Å
134T96.8Very high95.9Very high3 Ų333 Ų332%0.01818%0.176CC..Hα-helixtrans-56-51174.7-61.60000111.5R130 L131 Y137 L138 V365 D369 L370R130-T134 VanDerWaalsContact O-CB 3.32Å; R130-T134 WeakPolarHBondContact O-CB 3.28Å; R130-T134 PolarHBondContact O-N 2.68Å; R130-T134 PolarHBondContact O-OG1 2.84Å; L131-T134 WeakPolarHBondContact O-CB 3.45Å; L131-T134 PolarHBondContact O-N 2.98Å; T134-Y137 PolarHBondContact O-N 2.94Å; T134-L138 HydrophobicContact CG2-CD1 4.01Å; T134-L138 HydrophobicContact CG2-CG 4.44Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.38Å; T134-V365 HydrophobicContact CG2-CG1 3.61Å; T134-D369 HydrophobicContact CG2-CB 4.22Å; T134-D369 PolarHBondContact OG1-OD2 2.85Å; T134-L370 HydrophobicContact CG2-CD2 4.46Å; T134-L370 HydrophobicContact CG2-CG 4.44Å
135L96.3Very high95.8Very high113 Ų11332.5 Ų32.559%0.59217%0.174SC*.Hα-helixtrans-65-45.9-176.8-179.161.9000111.9L131 C132 Y137 L138 V139L131-L135 WeakPolarHBondContact O-CB 3.39Å; L131-L135 PolarHBondContact O-N 3.34Å; C132-L135 PolarHBondContact O-N 2.75Å; L135-Y137 VanDerWaalsContact C-N 3.31Å; L135-Y137 PolarHBondContact O-N 2.89Å; L135-L138 PolarHBondContact O-N 3.02Å; L135-V139 HydrophobicContact CD1-CG2 4.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 2.93Å
136Q95Very high95.6Very high28 Ų2831.2 Ų31.213%0.13117%0.169CC..Hα-helixtrans-60-42.7176.1-72.2174.423.500111.3C132 A140 I423 L427 L453C132-Q136 WeakPolarHBondContact O-CG 3.48Å; C132-Q136 PolarHBondContact O-N 3.45Å; Q136-A140 VanDerWaalsContact O-CB 3.24Å; Q136-A140 WeakPolarHBondContact O-CB 3.21Å; Q136-A140 PolarHBondContact O-N 3.15Å; Q136-I423 HydrophobicContact CB-CG2 3.9Å; Q136-I423 HydrophobicContact CG-CG2 4.43Å; Q136-I423 WeakPolarHBondContact O-CG2 3.45Å; Q136-L427 HydrophobicContact CB-CD1 3.98Å; Q136-L427 HydrophobicContact CB-CD2 4.03Å; Q136-L427 HydrophobicContact CB-CG 4.18Å; Q136-L453 VanDerWaalsContact CD-CD1 3.46Å; Q136-L453 HydrophobicContact CG-CD1 4.3Å; Q136-L453 HydrophobicContact CG-CD2 4.39Å
137Y95.8Very high95.4Very high3 Ų330.5 Ų30.51%0.01216%0.163CC..Hα-helixtrans-62-48.2175.9169.8-103.3000113Y118 G133 T134 L135 V139 A140 T141 N262 Q263 A361 M362 V365Y118-Y137 AromaticContact CE2-CD1 3.88Å; Y118-Y137 HydrophobicContact CE2-CD1 3.88Å; Y118-Y137 HydrophobicContact CE2-CD2 4.36Å; Y118-Y137 AromaticContact CE2-CG 3.7Å; Y118-Y137 HydrophobicContact CE2-CG 3.7Å; Y118-Y137 VanDerWaalsContact CZ-CB 3.48Å; Y118-Y137 AromaticContact CZ-CG 3.69Å; Y118-Y137 VanDerWaalsContact OH-CB 3.28Å; Y118-Y137 WeakPolarHBondContact OH-CB 3.41Å; Y118-Y137 WeakPolarHBondContact OH-CD2 3.42Å; Y118-Y137 VanDerWaalsContact OH-CG 3.22Å; G133-Y137 WeakPolarHBondContact O-CB 3.37Å; G133-Y137 PolarHBondContact O-N 3.49Å; T134-Y137 PolarHBondContact O-N 2.94Å; L135-Y137 VanDerWaalsContact C-N 3.31Å; L135-Y137 PolarHBondContact O-N 2.89Å; Y137-V139 PolarHBondContact O-N 2.81Å; Y137-A140 PolarHBondContact O-N 2.9Å; Y137-T141 WeakPolarHBondContact CD2-OG1 3.37Å; Y137-T141 HydrophobicContact CE2-CG2 4.46Å; Y137-T141 WeakPolarHBondContact CE2-OG1 3.4Å; Y137-T141 WeakPolarHBondContact O-CB 3.29Å; Y137-T141 PolarHBondContact O-N 3.21Å; Y137-T141 PolarHBondContact O-OG1 3.35Å; Y137-N262 WeakPolarHBondContact CE2-OD1 3.28Å; Y137-Q263 HydrophobicContact CE1-CB 4.1Å; Y137-Q263 HydrophobicContact CE2-CB 3.92Å; Y137-A361 WeakPolarHBondContact OH-CB 3.33Å; Y137-M362 HydrophobicContact CE1-CG 4.03Å; Y137-V365 HydrophobicContact CD1-CB 4.33Å; Y137-V365 HydrophobicContact CD1-CG1 4.16Å; Y137-V365 HydrophobicContact CD1-CG2 3.91Å; Y137-V365 HydrophobicContact CE1-CB 4.24Å; Y137-V365 HydrophobicContact CE1-CG2 3.68Å
138L96.9Very high95.3Very high13 Ų1325.5 Ų25.57%0.06814%0.143CC..Hα-helixtrans-59.6-47.5178.7-70.7175.4000110.5T134 L135 T141 M142 M362 Y394T134-L138 HydrophobicContact CG2-CD1 4.01Å; T134-L138 HydrophobicContact CG2-CG 4.44Å; T134-L138 WeakPolarHBondContact O-CG 3.44Å; T134-L138 PolarHBondContact O-N 3.38Å; L135-L138 PolarHBondContact O-N 3.02Å; L138-T141 PolarHBondContact O-N 3.07Å; L138-M142 HydrophobicContact CB-CE 4.33Å; L138-M142 WeakPolarHBondContact O-CB 3.45Å; L138-M142 WeakPolarHBondContact O-CG 3.37Å; L138-M142 PolarHBondContact O-N 2.96Å; L138-M362 HydrophobicContact CD2-CB 3.74Å; L138-M362 HydrophobicContact CD2-CG 3.77Å; L138-M362 HydrophobicContact CD2-SD 4.37Å; L138-Y394 HydrophobicContact CD2-CE1 4.44Å
139V95.2Very high95.1Very high61 Ų6123.3 Ų23.337%0.3713%0.125SC..Hα-helixtrans-63.6-49178.51740000111.6L135 Y137 T141 M142 L143 I423L135-V139 HydrophobicContact CD1-CG2 4.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.42Å; L135-V139 PolarHBondContact O-N 2.93Å; Y137-V139 PolarHBondContact O-N 2.81Å; V139-T141 VanDerWaalsContact C-N 3.3Å; V139-T141 PolarHBondContact O-N 3.43Å; V139-M142 PolarHBondContact O-N 3.19Å; V139-L143 HydrophobicContact CG1-CD1 3.91Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CB 3.31Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.11Å; V139-I423 HydrophobicContact CG1-CD1 4.34Å
140A94.2Very high94.8Very high5 Ų525 Ų254%0.04113%0.132CC..Hα-helixtrans-58.9-42.1178.200000112.3Q136 Y137 L143 Y144 I423Q136-A140 VanDerWaalsContact O-CB 3.24Å; Q136-A140 WeakPolarHBondContact O-CB 3.21Å; Q136-A140 PolarHBondContact O-N 3.15Å; Y137-A140 PolarHBondContact O-N 2.9Å; A140-L143 PolarHBondContact O-N 3.02Å; A140-Y144 VanDerWaalsContact O-CB 3.26Å; A140-Y144 WeakPolarHBondContact O-CB 3.19Å; A140-Y144 PolarHBondContact O-N 3.14Å; A140-I423 HydrophobicContact CB-CB 3.83Å; A140-I423 HydrophobicContact CB-CD1 4.07Å; A140-I423 HydrophobicContact CB-CG2 3.75Å
141T94.7Very high94.5Very high6 Ų624 Ų244%0.03713%0.128CC..Hα-helixtrans-74.4-36.7-176.5-55.50000111.6Y137 L138 V139 T145 M362Y137-T141 WeakPolarHBondContact CD2-OG1 3.37Å; Y137-T141 HydrophobicContact CE2-CG2 4.46Å; Y137-T141 WeakPolarHBondContact CE2-OG1 3.4Å; Y137-T141 WeakPolarHBondContact O-CB 3.29Å; Y137-T141 PolarHBondContact O-N 3.21Å; Y137-T141 PolarHBondContact O-OG1 3.35Å; L138-T141 PolarHBondContact O-N 3.07Å; V139-T141 VanDerWaalsContact C-N 3.3Å; V139-T141 PolarHBondContact O-N 3.43Å; T141-T145 WeakPolarHBondContact O-CB 2.96Å; T141-T145 PolarHBondContact O-N 3.4Å; T141-T145 PolarHBondContact O-OG1 3.42Å; T141-M362 HydrophobicContact CG2-CE 3.98Å; T141-M362 HydrophobicContact CG2-CG 3.71Å; T141-M362 HydrophobicContact CG2-SD 3.71Å
142M94.7Very high94.2Very high38 Ų3821.1 Ų21.119%0.18711%0.113CC..Hα-helixtrans-60.5-51.5169.5-72.3166.3-17200111.3L138 V139 T145 G146 M362 Y394 T397L138-M142 HydrophobicContact CB-CE 4.33Å; L138-M142 WeakPolarHBondContact O-CB 3.45Å; L138-M142 WeakPolarHBondContact O-CG 3.37Å; L138-M142 PolarHBondContact O-N 2.96Å; V139-M142 PolarHBondContact O-N 3.19Å; M142-T145 PolarHBondContact O-N 2.92Å; M142-G146 PolarHBondContact O-N 2.98Å; M142-M362 HydrophobicContact CG-SD 3.82Å; M142-Y394 HydrophobicContact CE-CD1 3.62Å; M142-Y394 HydrophobicContact CE-CE1 3.37Å; M142-T397 HydrophobicContact CG-CG2 4.31Å; M142-T397 HydrophobicContact SD-CG2 4Å
143L94.1Very high93.9Very high62 Ų6218.8 Ų18.833%0.32510%0.098SC..Hα-helixtrans-58.2-51.7-179.5-73.8177000111.4V139 A140 G146 I147 V401 V419 I423V139-L143 HydrophobicContact CG1-CD1 3.91Å; V139-L143 HydrophobicContact CG1-CG 4.41Å; V139-L143 WeakPolarHBondContact O-CB 3.31Å; V139-L143 VanDerWaalsContact O-CG 3.3Å; V139-L143 WeakPolarHBondContact O-CG 3.48Å; V139-L143 PolarHBondContact O-N 3.11Å; A140-L143 PolarHBondContact O-N 3.02Å; L143-G146 PolarHBondContact O-N 2.89Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 3.35Å; L143-V401 HydrophobicContact CD2-CG1 4.08Å; L143-V419 HydrophobicContact CB-CG1 3.49Å; L143-V419 VanDerWaalsContact CB-CG1 3.49Å; L143-V419 HydrophobicContact CB-CG2 4.24Å; L143-V419 HydrophobicContact CD1-CG1 4.36Å; L143-I423 HydrophobicContact CD1-CD1 3.9Å
144Y93.4Very high93.6Very high11 Ų1119.3 Ų19.34%0.04310%0.1CC..Hα-helixtrans-61.1-47.4177.6172.9-113.6000111.9F67 A140 G146 I147 V148 T354 M420F67-Y144 AromaticContact CD1-CE1 3.69Å; F67-Y144 HydrophobicContact CD1-CE1 3.69Å; F67-Y144 AromaticContact CD1-CZ 3.82Å; F67-Y144 WeakPolarHBondContact CD1-OH 3.47Å; F67-Y144 HydrophobicContact CE1-CD1 4.27Å; F67-Y144 AromaticContact CE1-CE1 3.59Å; F67-Y144 HydrophobicContact CE1-CE1 3.59Å; A140-Y144 VanDerWaalsContact O-CB 3.26Å; A140-Y144 WeakPolarHBondContact O-CB 3.19Å; A140-Y144 PolarHBondContact O-N 3.14Å; Y144-G146 VanDerWaalsContact C-N 3.29Å; Y144-G146 PolarHBondContact O-N 3Å; Y144-I147 PolarHBondContact O-N 3.46Å; Y144-V148 HydrophobicContact CD1-CG2 4.39Å; Y144-V148 HydrophobicContact CD2-CG2 4.05Å; Y144-V148 HydrophobicContact CE1-CG2 3.95Å; Y144-V148 HydrophobicContact CE2-CG2 3.56Å; Y144-V148 HydrophobicContact CG-CG2 4.43Å; Y144-V148 VanDerWaalsContact CZ-CG2 3.49Å; Y144-V148 VanDerWaalsContact O-CG2 3.27Å; Y144-V148 WeakPolarHBondContact O-CG2 3.35Å; Y144-V148 PolarHBondContact O-N 2.85Å; Y144-T354 HydrophobicContact CD1-CG2 4.38Å; Y144-T354 HydrophobicContact CE1-CG2 3.48Å; Y144-T354 VanDerWaalsContact CE1-CG2 3.48Å; Y144-M420 HydrophobicContact CD1-CE 4.32Å; Y144-M420 HydrophobicContact CD1-SD 4.07Å; Y144-M420 HydrophobicContact CD2-CG 3.75Å; Y144-M420 HydrophobicContact CD2-SD 3.6Å; Y144-M420 HydrophobicContact CE1-SD 4.12Å; Y144-M420 HydrophobicContact CE2-CG 4.36Å; Y144-M420 HydrophobicContact CE2-SD 3.67Å; Y144-M420 HydrophobicContact CG-CE 4.43Å; Y144-M420 HydrophobicContact CG-CG 3.94Å; Y144-M420 HydrophobicContact CG-SD 3.82Å
145T93.2Very high93.3Very high0 Ų019.2 Ų19.20%010%0.099CC..Hα-helixtrans-66.3-31.6-177.8-54.70000112.2T141 M142 V148 I149 A355 S358 C398T141-T145 WeakPolarHBondContact O-CB 2.96Å; T141-T145 PolarHBondContact O-N 3.4Å; T141-T145 PolarHBondContact O-OG1 3.42Å; M142-T145 PolarHBondContact O-N 2.92Å; T145-V148 PolarHBondContact O-N 3.36Å; T145-I149 HydrophobicContact CG2-CD1 4.18Å; T145-I149 WeakPolarHBondContact O-CG1 3.22Å; T145-I149 PolarHBondContact O-N 2.97Å; T145-A355 HydrophobicContact CG2-CB 4.07Å; T145-S358 WeakPolarHBondContact OG1-CB 3.44Å; T145-S358 PolarHBondContact OG1-OG 2.9Å; T145-C398 HydrophobicContact CG2-CB 4.03Å
146G93.4Very high93Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-64.7-46.3171.800000113.1M142 L143 Y144 V148 I149 Y150 C398 A402M142-G146 PolarHBondContact O-N 2.98Å; L143-G146 PolarHBondContact O-N 2.89Å; Y144-G146 VanDerWaalsContact C-N 3.29Å; Y144-G146 PolarHBondContact O-N 3Å; G146-V148 PolarHBondContact O-N 3.44Å; G146-I149 PolarHBondContact O-N 3.04Å; G146-I149 VanDerWaalsContact O-N 3.12Å; G146-Y150 PolarHBondContact O-N 3.06Å; G146-C398 VanDerWaalsContact CA-O 3.3Å; G146-C398 WeakPolarHBondContact CA-O 3.29Å; G146-A402 WeakPolarHBondContact O-CA 3.29Å; G146-A402 WeakPolarHBondContact O-CB 3.46Å
147I92.5Very high92.8Very high17 Ų1714.9 Ų14.99%0.0878%0.078CC..Hα-helixtrans-59.8-37.4173.9-60.6166.7000110.6V71 L143 Y144 Y150 A151 V412 S416 V419V71-I147 HydrophobicContact CG2-CG2 4.37Å; L143-I147 WeakPolarHBondContact O-CG1 3.44Å; L143-I147 PolarHBondContact O-N 3.35Å; Y144-I147 PolarHBondContact O-N 3.46Å; I147-Y150 PolarHBondContact O-N 2.89Å; I147-A151 PolarHBondContact O-N 2.92Å; I147-A151 VanDerWaalsContact O-N 3.1Å; I147-V412 HydrophobicContact CG2-CB 4.13Å; I147-S416 VanDerWaalsContact CG2-OG 3.28Å; I147-S416 WeakPolarHBondContact CG2-OG 3.4Å; I147-V419 HydrophobicContact CD1-CG2 3.84Å
148V92.6Very high92.3Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-68.7-31.6176.8169.90000113.6S69 V71 Y144 T145 G146 P152 T351 T354S69-V148 WeakPolarHBondContact OG-CG2 3.44Å; V71-V148 HydrophobicContact CG2-CB 4.4Å; V71-V148 HydrophobicContact CG2-CG2 3.75Å; Y144-V148 HydrophobicContact CD1-CG2 4.39Å; Y144-V148 HydrophobicContact CD2-CG2 4.05Å; Y144-V148 HydrophobicContact CE1-CG2 3.95Å; Y144-V148 HydrophobicContact CE2-CG2 3.56Å; Y144-V148 HydrophobicContact CG-CG2 4.43Å; Y144-V148 VanDerWaalsContact CZ-CG2 3.49Å; Y144-V148 VanDerWaalsContact O-CG2 3.27Å; Y144-V148 WeakPolarHBondContact O-CG2 3.35Å; Y144-V148 PolarHBondContact O-N 2.85Å; T145-V148 PolarHBondContact O-N 3.36Å; G146-V148 PolarHBondContact O-N 3.44Å; V148-P152 WeakPolarHBondContact O-CD 3.48Å; V148-T351 HydrophobicContact CG1-CG2 3.92Å; V148-T351 VanDerWaalsContact O-CG2 3.25Å; V148-T351 WeakPolarHBondContact O-CG2 3.46Å; V148-T351 PolarHBondContact O-OG1 2.86Å; V148-T354 HydrophobicContact CB-CG2 4.33Å; V148-T354 HydrophobicContact CG1-CG2 3.76Å; V148-T354 HydrophobicContact CG2-CG2 4.09Å
149I92.8Very high91.7Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-76.6-31.8171.7-71.6169.1000111.1T145 G146 P152 T171 C175 T351 C398 A402T145-I149 HydrophobicContact CG2-CD1 4.18Å; T145-I149 WeakPolarHBondContact O-CG1 3.22Å; T145-I149 PolarHBondContact O-N 2.97Å; G146-I149 PolarHBondContact O-N 3.04Å; G146-I149 VanDerWaalsContact O-N 3.12Å; I149-P152 WeakPolarHBondContact O-CD 3.35Å; I149-T171 HydrophobicContact CG2-CG2 4.02Å; I149-T171 WeakPolarHBondContact O-CG2 3.33Å; I149-C175 HydrophobicContact CD1-CB 4.49Å; I149-T351 HydrophobicContact CG1-CG2 4.44Å; I149-C398 HydrophobicContact CD1-CB 3.8Å; I149-A402 HydrophobicContact CB-CB 3.91Å; I149-A402 HydrophobicContact CG2-CB 3.71Å
150Y91.8Very high91.3Very high35 Ų3514.1 Ų14.114%0.1377%0.071CC..Hα-helixtrans-66.2-42.1175.2170.5-125.8000112.5G146 I147 A153 L154 I164 L168 V412G146-Y150 PolarHBondContact O-N 3.06Å; I147-Y150 PolarHBondContact O-N 2.89Å; Y150-A153 WeakPolarHBondContact O-CA 3.36Å; Y150-A153 WeakPolarHBondContact O-CB 3.3Å; Y150-A153 PolarHBondContact O-N 3.05Å; Y150-L154 HydrophobicContact CE2-CB 4.27Å; Y150-L154 PolarHBondContact O-N 3.38Å; Y150-I164 HydrophobicContact CE2-CD1 4.13Å; Y150-L168 HydrophobicContact CD2-CD2 4.27Å; Y150-V412 HydrophobicContact CD1-CG1 3.8Å; Y150-V412 HydrophobicContact CE1-CG1 3.84Å
151A90.3Very high90.7Very high0 Ų016.7 Ų16.70%010%0.098CC..Hα-helixtrans-52.8-50.6-176.600000115.1A70 V71 L74 I147 L154 I155 V412A70-A151 HydrophobicContact CB-CB 3.8Å; V71-A151 HydrophobicContact CG2-CB 3.98Å; L74-A151 HydrophobicContact CD1-CB 4.32Å; I147-A151 PolarHBondContact O-N 2.92Å; I147-A151 VanDerWaalsContact O-N 3.1Å; A151-L154 WeakPolarHBondContact O-CB 3.41Å; A151-L154 PolarHBondContact O-N 3.09Å; A151-I155 WeakPolarHBondContact O-CG1 3.47Å; A151-I155 PolarHBondContact O-N 3.28Å; A151-V412 HydrophobicContact CB-CG1 4.48Å; A151-V412 HydrophobicContact CB-CG2 4.26Å
152P90.5Very high90.3Very high0 Ų020.1 Ų20.10%012%0.116CC..Hα-helixtrans-79.6-17.6176.533.5-35.8000113.5A70 V148 I149 I155 L156 T171 Y348 T351A70-P152 HydrophobicContact CB-CB 4.12Å; A70-P152 HydrophobicContact CB-CG 4.2Å; V148-P152 WeakPolarHBondContact O-CD 3.48Å; I149-P152 WeakPolarHBondContact O-CD 3.35Å; P152-I155 PolarHBondContact O-N 3.41Å; P152-L156 WeakPolarHBondContact O-CB 3.49Å; P152-L156 PolarHBondContact O-N 3.41Å; P152-T171 HydrophobicContact CG-CG2 3.82Å; P152-Y348 HydrophobicContact CB-CD2 3.73Å; P152-Y348 HydrophobicContact CB-CE2 3.66Å; P152-Y348 HydrophobicContact CB-CG 4.37Å; P152-T351 HydrophobicContact CG-CG2 3.73Å
153A92Very high90.1Very high0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-67.4-38.1168.400000111.1Y150 L156 N157 S167 L168 T171Y150-A153 WeakPolarHBondContact O-CA 3.36Å; Y150-A153 WeakPolarHBondContact O-CB 3.3Å; Y150-A153 PolarHBondContact O-N 3.05Å; A153-L156 PolarHBondContact O-N 3.41Å; A153-N157 WeakPolarHBondContact O-CB 3.48Å; A153-N157 PolarHBondContact O-N 3.38Å; A153-S167 VanDerWaalsContact O-CB 3.29Å; A153-S167 WeakPolarHBondContact O-CB 3.28Å; A153-L168 HydrophobicContact CB-CB 4.46Å; A153-L168 HydrophobicContact CB-CD2 3.79Å; A153-L168 HydrophobicContact CB-CG 3.94Å; A153-T171 WeakPolarHBondContact CA-OG1 3.13Å; A153-T171 WeakPolarHBondContact CB-OG1 3.28Å
154L89.4Confident89.7Confident11 Ų1121.3 Ų21.36%0.05812%0.123CC..Hα-helixtrans-60.6-46.2170.5-179.267000111.1Y150 A151 L156 N157 Q158 D322 Q323Y150-L154 HydrophobicContact CE2-CB 4.27Å; Y150-L154 PolarHBondContact O-N 3.38Å; A151-L154 WeakPolarHBondContact O-CB 3.41Å; A151-L154 PolarHBondContact O-N 3.09Å; L154-L156 PolarHBondContact O-N 2.89Å; L154-N157 WeakPolarHBondContact O-CB 3.44Å; L154-N157 PolarHBondContact O-N 3.08Å; L154-Q158 WeakPolarHBondContact O-CG 3.12Å; L154-Q158 PolarHBondContact O-N 3.42Å; L154-D322 HydrophobicContact CD2-CB 4.01Å; L154-Q323 HydrophobicContact CD2-CG 4.49Å
155I90.1Very high89.6Confident0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-59.6-50.4176-55.9173000110.4L74 A151 P152 N157 Q158 V159 P326 F343 L344 A347L74-I155 HydrophobicContact CD1-CD1 4.04Å; L74-I155 HydrophobicContact CD1-CG1 3.83Å; L74-I155 HydrophobicContact CD2-CD1 3.69Å; L74-I155 HydrophobicContact CD2-CG1 3.82Å; L74-I155 HydrophobicContact CG-CD1 3.96Å; L74-I155 HydrophobicContact CG-CG1 4.2Å; A151-I155 WeakPolarHBondContact O-CG1 3.47Å; A151-I155 PolarHBondContact O-N 3.28Å; P152-I155 PolarHBondContact O-N 3.41Å; I155-N157 VanDerWaalsContact C-N 3.32Å; I155-N157 PolarHBondContact O-N 2.88Å; I155-Q158 PolarHBondContact O-N 3.48Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; I155-V159 HydrophobicContact CG2-CG1 4.02Å; I155-V159 HydrophobicContact CG2-CG2 4.47Å; I155-V159 WeakPolarHBondContact O-CG1 3.19Å; I155-V159 VanDerWaalsContact O-CG2 3.29Å; I155-V159 WeakPolarHBondContact O-CG2 3.05Å; I155-V159 PolarHBondContact O-N 3.41Å; I155-P326 HydrophobicContact CG1-CG 4.07Å; I155-P326 HydrophobicContact CG2-CG 4.37Å; I155-F343 HydrophobicContact CD1-CE1 4.16Å; I155-F343 HydrophobicContact CD1-CZ 4.15Å; I155-F343 HydrophobicContact CG2-CD1 4.24Å; I155-F343 HydrophobicContact CG2-CE1 3.77Å; I155-L344 HydrophobicContact CB-CD1 4.17Å; I155-L344 HydrophobicContact CG2-CD1 3.68Å; I155-A347 HydrophobicContact CD1-CB 3.21Å
156L90.5Very high89.5Confident8 Ų829.7 Ų29.74%0.04217%0.165CC..Hα-helixtrans-57.3-46.8-179.2-172.470.5000110.8P152 A153 L154 Q158 V159 T160 L344P152-L156 WeakPolarHBondContact O-CB 3.49Å; P152-L156 PolarHBondContact O-N 3.41Å; A153-L156 PolarHBondContact O-N 3.41Å; L154-L156 PolarHBondContact O-N 2.89Å; L156-Q158 PolarHBondContact O-N 2.82Å; L156-V159 PolarHBondContact O-N 3.24Å; L156-T160 HydrophobicContact CD1-CG2 3.65Å; L156-T160 HydrophobicContact CG-CG2 4.29Å; L156-T160 WeakPolarHBondContact O-CB 3.23Å; L156-T160 WeakPolarHBondContact O-CG2 3.49Å; L156-T160 PolarHBondContact O-N 3.37Å; L156-T160 PolarHBondContact O-OG1 3.36Å; L156-L344 HydrophobicContact CB-CD1 4.48Å; L156-L344 HydrophobicContact CD1-CD1 4.39Å; L156-L344 HydrophobicContact CD1-CD2 3.82Å
157N89.9Confident89.5Confident42 Ų4229.7 Ų29.723%0.22517%0.165CC..Hα-helixtrans-54.4-49.6173.7160.4-107.4000112.1A153 L154 I155 G161 L162 I164 S167A153-N157 WeakPolarHBondContact O-CB 3.48Å; A153-N157 PolarHBondContact O-N 3.38Å; L154-N157 WeakPolarHBondContact O-CB 3.44Å; L154-N157 PolarHBondContact O-N 3.08Å; I155-N157 VanDerWaalsContact C-N 3.32Å; I155-N157 PolarHBondContact O-N 2.88Å; N157-G161 WeakPolarHBondContact O-CA 3.18Å; N157-G161 PolarHBondContact O-N 3.37Å; N157-L162 WeakPolarHBondContact CA-O 3.39Å; N157-L162 PolarHBondContact ND2-O 3.08Å; N157-I164 HydrophobicContact CB-CD1 3.9Å; N157-S167 WeakPolarHBondContact CA-OG 3.48Å; N157-S167 PolarHBondContact N-OG 2.92Å
158Q85.7Confident89.4Confident44 Ų4429 Ų2921%0.20616%0.161CC..Hα-helixtrans-66.9-40.9-177.4-72.8-166.1-85.700114L154 I155 L156 Q323 P326L154-Q158 WeakPolarHBondContact O-CG 3.12Å; L154-Q158 PolarHBondContact O-N 3.42Å; I155-Q158 PolarHBondContact O-N 3.48Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; L156-Q158 PolarHBondContact O-N 2.82Å; Q158-Q323 VanDerWaalsContact NE2-CB 3.29Å; Q158-P326 HydrophobicContact CB-CB 4.41Å
159V85.4Confident89.4Confident0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-91.6-19.4-171.2-53.50000114T11 F12 I155 L156 P326 L330T11-V159 CarbonylContact C-O 3.31Å; T11-V159 WeakPolarHBondContact CA-O 3.25Å; F12-V159 HydrophobicContact CD1-CB 3.58Å; F12-V159 HydrophobicContact CD1-CG2 3.7Å; F12-V159 HydrophobicContact CD2-CG2 3.96Å; F12-V159 HydrophobicContact CE1-CB 3.32Å; F12-V159 HydrophobicContact CE1-CG1 3.93Å; F12-V159 HydrophobicContact CE1-CG2 3.39Å; F12-V159 HydrophobicContact CE2-CG2 3.69Å; F12-V159 HydrophobicContact CG-CB 4.3Å; F12-V159 HydrophobicContact CG-CG2 3.99Å; F12-V159 HydrophobicContact CZ-CB 3.85Å; F12-V159 HydrophobicContact CZ-CG1 4.36Å; F12-V159 HydrophobicContact CZ-CG2 3.38Å; F12-V159 PolarHBondContact N-O 2.86Å; I155-V159 HydrophobicContact CG2-CG1 4.02Å; I155-V159 HydrophobicContact CG2-CG2 4.47Å; I155-V159 WeakPolarHBondContact O-CG1 3.19Å; I155-V159 VanDerWaalsContact O-CG2 3.29Å; I155-V159 WeakPolarHBondContact O-CG2 3.05Å; I155-V159 PolarHBondContact O-N 3.41Å; L156-V159 PolarHBondContact O-N 3.24Å; V159-P326 HydrophobicContact CG1-CB 4.21Å; V159-L330 HydrophobicContact CG1-CD1 4.35Å
160T85.1Confident89.3Confident18 Ų1836 Ų3611%0.1120%0.201CC..Hα-helixtrans-104.9-17.1176.567.30000113.4F12 Y17 L156 L162F12-T160 HydrophobicContact CD2-CG2 4.41Å; Y17-T160 HydrophobicContact CE1-CG2 3.96Å; Y17-T160 WeakPolarHBondContact OH-CB 3.37Å; Y17-T160 VanDerWaalsContact OH-CG2 3.29Å; Y17-T160 WeakPolarHBondContact OH-CG2 3.24Å; L156-T160 HydrophobicContact CD1-CG2 3.65Å; L156-T160 HydrophobicContact CG-CG2 4.29Å; L156-T160 WeakPolarHBondContact O-CB 3.23Å; L156-T160 WeakPolarHBondContact O-CG2 3.49Å; L156-T160 PolarHBondContact O-N 3.37Å; L156-T160 PolarHBondContact O-OG1 3.36Å; T160-L162 PolarHBondContact O-N 2.86Å; T160-L162 WeakPolarHBondContact OG1-CB 3.26Å; T160-L162 WeakPolarHBondContact OG1-CD1 3.36Å; T160-L162 WeakPolarHBondContact OG1-CG 3.21Å; T160-L162 PolarHBondContact OG1-N 2.76Å
161G82.3Confident89.2Confident58 Ų5834.3 Ų34.360%0.59820%0.195SC*.  trans731.9-170.500000114.4N157N157-G161 WeakPolarHBondContact O-CA 3.18Å; N157-G161 PolarHBondContact O-N 3.37Å
162L86.2Confident89.1Confident79 Ų7934.3 Ų34.341%0.41420%0.195SC..  trans-60.1143.4172.1-71.5173.9000110.6N157 T160N157-L162 WeakPolarHBondContact CA-O 3.39Å; N157-L162 PolarHBondContact ND2-O 3.08Å; T160-L162 PolarHBondContact O-N 2.86Å; T160-L162 WeakPolarHBondContact OG1-CB 3.26Å; T160-L162 WeakPolarHBondContact OG1-CD1 3.36Å; T160-L162 WeakPolarHBondContact OG1-CG 3.21Å; T160-L162 PolarHBondContact OG1-N 2.76Å
163D90.5Very high89Confident93 Ų9338.2 Ų38.250%0.49722%0.215SC..  trans-55.8151.5171.7174.866.8000112.2W165 A166 S167D163-W165 VanDerWaalsContact C-N 3.29Å; D163-W165 PolarHBondContact O-N 3.05Å; D163-W165 VanDerWaalsContact OD2-CB 3.23Å; D163-W165 WeakPolarHBondContact OD2-CB 3.46Å; D163-W165 VanDerWaalsContact OD2-CD1 3.24Å; D163-W165 PolarHBondContact OD2-N 2.98Å; D163-A166 PolarHBondContact O-N 2.64Å; D163-S167 WeakPolarHBondContact O-CB 3.34Å; D163-S167 PolarHBondContact O-N 2.89Å; D163-S167 PolarHBondContact O-OG 3.49Å
164I86.4Confident88.8Confident32 Ų3240 Ų4016%0.16423%0.225CC..Hα-helixtrans-64.1-32.2-176-170.558.3000112.5Y150 N157 S167 L168Y150-I164 HydrophobicContact CE2-CD1 4.13Å; N157-I164 HydrophobicContact CB-CD1 3.9Å; I164-S167 PolarHBondContact O-N 3.34Å; I164-L168 HydrophobicContact CG1-CD1 4.21Å; I164-L168 HydrophobicContact CG1-CG 4.5Å; I164-L168 WeakPolarHBondContact O-CB 3.18Å; I164-L168 VanDerWaalsContact O-CG 3.32Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 2.92Å
165W91.1Very high88.6Confident140 Ų14039.5 Ų39.553%0.5322%0.222SC..Hα-helixtrans-71.3-41.2177.3-62.697.4000111.9D163 S167 L168 L169 A403D163-W165 VanDerWaalsContact C-N 3.29Å; D163-W165 PolarHBondContact O-N 3.05Å; D163-W165 VanDerWaalsContact OD2-CB 3.23Å; D163-W165 WeakPolarHBondContact OD2-CB 3.46Å; D163-W165 VanDerWaalsContact OD2-CD1 3.24Å; D163-W165 PolarHBondContact OD2-N 2.98Å; W165-S167 VanDerWaalsContact C-N 3.3Å; W165-S167 PolarHBondContact O-N 3.32Å; W165-L168 PolarHBondContact O-N 3.49Å; W165-L169 WeakPolarHBondContact O-CB 3.25Å; W165-L169 PolarHBondContact O-N 3.44Å; W165-A403 HydrophobicContact CH2-CB 4.31Å; W165-A403 HydrophobicContact CZ3-CB 3.71Å
166A92.1Very high88.3Confident47 Ų4740 Ų4039%0.38822%0.224SC..Hα-helixtrans-62.2-41.2172.500000111D163 S170D163-A166 PolarHBondContact O-N 2.64Å; A166-S170 VanDerWaalsContact O-CB 3.31Å; A166-S170 WeakPolarHBondContact O-CB 3.21Å; A166-S170 PolarHBondContact O-N 3.5Å
167S91.3Very high87.9Confident0 Ų044.7 Ų44.70%025%0.249CC..Hα-helixtrans-66.1-44.2178-58.10000112.2A153 N157 D163 I164 W165 T171A153-S167 VanDerWaalsContact O-CB 3.29Å; A153-S167 WeakPolarHBondContact O-CB 3.28Å; N157-S167 WeakPolarHBondContact CA-OG 3.48Å; N157-S167 PolarHBondContact N-OG 2.92Å; D163-S167 WeakPolarHBondContact O-CB 3.34Å; D163-S167 PolarHBondContact O-N 2.89Å; D163-S167 PolarHBondContact O-OG 3.49Å; I164-S167 PolarHBondContact O-N 3.34Å; W165-S167 VanDerWaalsContact C-N 3.3Å; W165-S167 PolarHBondContact O-N 3.32Å; S167-T171 WeakPolarHBondContact O-CB 3.31Å; S167-T171 PolarHBondContact O-N 3.11Å; S167-T171 PolarHBondContact O-OG1 3.12Å
168L91.9Very high87.3Confident3 Ų343.9 Ų43.92%0.01624%0.243CC..Hα-helixtrans-60.6-49.4174.1-83.2165.5000111.9Y150 A153 I164 W165 T171 G172 L399 A402 A403Y150-L168 HydrophobicContact CD2-CD2 4.27Å; A153-L168 HydrophobicContact CB-CB 4.46Å; A153-L168 HydrophobicContact CB-CD2 3.79Å; A153-L168 HydrophobicContact CB-CG 3.94Å; I164-L168 HydrophobicContact CG1-CD1 4.21Å; I164-L168 HydrophobicContact CG1-CG 4.5Å; I164-L168 WeakPolarHBondContact O-CB 3.18Å; I164-L168 VanDerWaalsContact O-CG 3.32Å; I164-L168 WeakPolarHBondContact O-CG 3.29Å; I164-L168 PolarHBondContact O-N 2.92Å; W165-L168 PolarHBondContact O-N 3.49Å; L168-T171 PolarHBondContact O-N 3.37Å; L168-G172 PolarHBondContact O-N 3.34Å; L168-L399 HydrophobicContact CB-CD1 4.36Å; L168-L399 VanDerWaalsContact O-CD1 3.27Å; L168-L399 WeakPolarHBondContact O-CD1 3.23Å; L168-A402 HydrophobicContact CD2-CB 3.74Å; L168-A403 HydrophobicContact CD1-CB 4.32Å
169L92.3Very high86.8Confident97 Ų9742.1 Ų42.151%0.50824%0.235SC..Hα-helixtrans-62.3-45.9-179.3-178.560.5000111.5W165 G172 I173 L399W165-L169 WeakPolarHBondContact O-CB 3.25Å; W165-L169 PolarHBondContact O-N 3.44Å; L169-G172 PolarHBondContact O-N 3.15Å; L169-I173 HydrophobicContact CD1-CD1 3.87Å; L169-I173 HydrophobicContact CD1-CG1 4.22Å; L169-I173 HydrophobicContact CG-CD1 3.87Å; L169-I173 WeakPolarHBondContact O-CB 3.41Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 3.33Å; L169-L399 HydrophobicContact CD1-CD2 4.16Å
170S90.7Very high86.3Confident48 Ų4843.7 Ų43.734%0.33625%0.245SC..Hα-helixtrans-57.6-51.7174.6-176.50000111.4A166 G172 I173 I174A166-S170 VanDerWaalsContact O-CB 3.31Å; A166-S170 WeakPolarHBondContact O-CB 3.21Å; A166-S170 PolarHBondContact O-N 3.5Å; S170-G172 PolarHBondContact O-N 3.26Å; S170-I173 PolarHBondContact O-N 3.36Å; S170-I174 WeakPolarHBondContact O-CB 3.27Å; S170-I174 VanDerWaalsContact O-CG1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.29Å; S170-I174 PolarHBondContact O-N 2.87Å
171T90Very high85.6Confident0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-57.6-46.4178.4-52.80000111.8I149 P152 A153 S167 L168 I174 C175 Y348I149-T171 HydrophobicContact CG2-CG2 4.02Å; I149-T171 WeakPolarHBondContact O-CG2 3.33Å; P152-T171 HydrophobicContact CG-CG2 3.82Å; A153-T171 WeakPolarHBondContact CA-OG1 3.13Å; A153-T171 WeakPolarHBondContact CB-OG1 3.28Å; S167-T171 WeakPolarHBondContact O-CB 3.31Å; S167-T171 PolarHBondContact O-N 3.11Å; S167-T171 PolarHBondContact O-OG1 3.12Å; L168-T171 PolarHBondContact O-N 3.37Å; T171-I174 PolarHBondContact O-N 3.27Å; T171-C175 WeakPolarHBondContact O-CB 3.34Å; T171-C175 PolarHBondContact O-N 2.95Å; T171-C175 PolarHBondContact O-SG 2.93Å; T171-Y348 HydrophobicContact CG2-CE1 4.08Å; T171-Y348 PolarHBondContact OG1-OH 3.24Å
172G88.4Confident85Confident1 Ų143.7 Ų43.71%0.0124%0.235CC..Hα-helixtrans-66.6-39.2-178.700000113.4L168 L169 S170 T176L168-G172 PolarHBondContact O-N 3.34Å; L169-G172 PolarHBondContact O-N 3.15Å; S170-G172 PolarHBondContact O-N 3.26Å; G172-T176 VanDerWaalsContact O-CB 3.22Å; G172-T176 WeakPolarHBondContact O-CB 3.39Å; G172-T176 PolarHBondContact O-N 3.34Å; G172-T176 PolarHBondContact O-OG1 3.47Å
173I87.9Confident84.6Confident82 Ų8240.2 Ų40.242%0.42122%0.218SC..Hα-helixtrans-63.1-50173-71.2167.9000109.9L169 S170 C175 T176 L177L169-I173 HydrophobicContact CD1-CD1 3.87Å; L169-I173 HydrophobicContact CD1-CG1 4.22Å; L169-I173 HydrophobicContact CG-CD1 3.87Å; L169-I173 WeakPolarHBondContact O-CB 3.41Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 3.33Å; S170-I173 PolarHBondContact O-N 3.36Å; I173-C175 PolarHBondContact O-N 3.4Å; I173-T176 PolarHBondContact O-N 3.32Å; I173-L177 HydrophobicContact CG2-CD1 3.6Å; I173-L177 HydrophobicContact CG2-CG 4.15Å; I173-L177 WeakPolarHBondContact O-CB 3.46Å; I173-L177 WeakPolarHBondContact O-CG 3.26Å; I173-L177 PolarHBondContact O-N 3.13Å
174I87.8Confident84.2Confident38 Ų3836 Ų3620%0.19520%0.195CC..Hα-helixtrans-56.5-50.1178.5-67.7166.1000110L24 S170 T171 T176 Y178 Y348 L352L24-I174 HydrophobicContact CD1-CD1 4.3Å; L24-I174 HydrophobicContact CD1-CG2 4.4Å; L24-I174 HydrophobicContact CD2-CG2 3.87Å; S170-I174 WeakPolarHBondContact O-CB 3.27Å; S170-I174 VanDerWaalsContact O-CG1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.29Å; S170-I174 PolarHBondContact O-N 2.87Å; T171-I174 PolarHBondContact O-N 3.27Å; I174-T176 PolarHBondContact O-N 3.18Å; I174-Y178 WeakPolarHBondContact O-CB 3.45Å; I174-Y178 PolarHBondContact O-N 3.49Å; I174-Y178 VanDerWaalsContact O-N 3.09Å; I174-Y348 HydrophobicContact CD1-CE1 4.17Å; I174-Y348 HydrophobicContact CG2-CD1 4.49Å; I174-Y348 HydrophobicContact CG2-CE1 4.36Å; I174-L352 HydrophobicContact CG2-CD2 4.17Å
175C85.9Confident84.2Confident0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-63.5-42.2179.3-65.40000113.2I149 T171 I173 T179 L352 A355I149-C175 HydrophobicContact CD1-CB 4.49Å; T171-C175 WeakPolarHBondContact O-CB 3.34Å; T171-C175 PolarHBondContact O-N 2.95Å; T171-C175 PolarHBondContact O-SG 2.93Å; I173-C175 PolarHBondContact O-N 3.4Å; C175-T179 WeakPolarHBondContact O-CB 3.49Å; C175-T179 PolarHBondContact O-N 3.36Å; C175-T179 VanDerWaalsContact O-N 3.11Å; C175-T179 PolarHBondContact O-OG1 2.99Å; C175-L352 HydrophobicContact CB-CD2 4.38Å; C175-A355 HydrophobicContact CB-CB 4.23Å
176T83.6Confident83.9Confident9 Ų930 Ų306%0.05517%0.172CC..Hα-helixtrans-72.2-45.6-176-580000111.9G172 I173 I174 T179 T180 F392G172-T176 VanDerWaalsContact O-CB 3.22Å; G172-T176 WeakPolarHBondContact O-CB 3.39Å; G172-T176 PolarHBondContact O-N 3.34Å; G172-T176 PolarHBondContact O-OG1 3.47Å; I173-T176 PolarHBondContact O-N 3.32Å; I174-T176 PolarHBondContact O-N 3.18Å; T176-T179 PolarHBondContact O-N 3.32Å; T176-T180 WeakPolarHBondContact O-CB 3.43Å; T176-T180 PolarHBondContact O-N 2.92Å; T176-T180 PolarHBondContact O-OG1 2.83Å; T176-F392 HydrophobicContact CG2-CD2 3.89Å; T176-F392 HydrophobicContact CG2-CE2 4.38Å
177L80.9Confident83.7Confident107 Ų10728.1 Ų28.156%0.5616%0.156SC*.Hα-helixtrans-63-48.2177.3-69.6178.9000111.1I173 T179 T180I173-L177 HydrophobicContact CG2-CD1 3.6Å; I173-L177 HydrophobicContact CG2-CG 4.15Å; I173-L177 WeakPolarHBondContact O-CB 3.46Å; I173-L177 WeakPolarHBondContact O-CG 3.26Å; I173-L177 PolarHBondContact O-N 3.13Å; L177-T179 VanDerWaalsContact C-N 3.27Å; L177-T179 PolarHBondContact O-N 3.16Å; L177-T180 PolarHBondContact O-N 3.26Å
178Y78.2Confident83.7Confident26 Ų2628.1 Ų28.110%0.10216%0.156CC..Hα-helixtrans-54.1-45177179.6-97.6000112.1I174 T190 Q194 L352I174-Y178 WeakPolarHBondContact O-CB 3.45Å; I174-Y178 PolarHBondContact O-N 3.49Å; I174-Y178 VanDerWaalsContact O-N 3.09Å; Y178-T190 WeakPolarHBondContact OH-CB 3.22Å; Y178-T190 WeakPolarHBondContact OH-CG2 3.37Å; Y178-T190 PolarHBondContact OH-OG1 3.04Å; Y178-Q194 PolarHBondContact OH-NE2 3.43Å; Y178-L352 HydrophobicContact CD1-CB 4.28Å; Y178-L352 HydrophobicContact CD1-CD2 3.82Å; Y178-L352 HydrophobicContact CE1-CB 4.04Å; Y178-L352 HydrophobicContact CE1-CD2 4.4Å; Y178-L352 HydrophobicContact CG-CD2 3.91Å
179T75.7Confident83.6Confident6 Ų632.7 Ų32.74%0.03717%0.173CC..Hα-helixtrans-70.4-40.8-179-56.80000113.4C175 T176 L177 V181 G182 S356 I359C175-T179 WeakPolarHBondContact O-CB 3.49Å; C175-T179 PolarHBondContact O-N 3.36Å; C175-T179 VanDerWaalsContact O-N 3.11Å; C175-T179 PolarHBondContact O-OG1 2.99Å; T176-T179 PolarHBondContact O-N 3.32Å; L177-T179 VanDerWaalsContact C-N 3.27Å; L177-T179 PolarHBondContact O-N 3.16Å; T179-V181 PolarHBondContact O-N 3.2Å; T179-G182 PolarHBondContact O-N 3.13Å; T179-S356 VanDerWaalsContact OG1-CA 3.22Å; T179-S356 WeakPolarHBondContact OG1-CA 3.46Å; T179-S356 WeakPolarHBondContact OG1-CB 3.4Å; T179-I359 HydrophobicContact CG2-CB 3.82Å; T179-I359 HydrophobicContact CG2-CD1 4.47Å; T179-I359 HydrophobicContact CG2-CG2 3.56Å
180T74.3Confident83.6Confident33 Ų3328.2 Ų28.220%0.20215%0.15CC..Hα-helixtrans-66.1-22.6-171.6-57.30000112.9T176 L177 K388T176-T180 WeakPolarHBondContact O-CB 3.43Å; T176-T180 PolarHBondContact O-N 2.92Å; T176-T180 PolarHBondContact O-OG1 2.83Å; L177-T180 PolarHBondContact O-N 3.26Å; T180-K388 HydrophobicContact CG2-CB 4.39Å
181V70.7Confident83.7Confident68 Ų6825.9 Ų25.941%0.41213%0.134SC..Hα-helixtrans-81.1-38.1178.7175.40000112.2L32 Q41 T179L32-V181 HydrophobicContact CD2-CG1 3.5Å; L32-V181 VanDerWaalsContact CD2-CG1 3.5Å; L32-V181 HydrophobicContact CG-CG1 4.16Å; Q41-V181 PolarHBondContact NE2-O 3.4Å; T179-V181 PolarHBondContact O-N 3.2Å
182G69.7Low83.9Confident8 Ų827.3 Ų27.38%0.08214%0.142CC..  trans-79.3149.8-171.600000114.9F47 T179F47-G182 WeakPolarHBondContact CE2-O 3.42Å; F47-G182 WeakPolarHBondContact CZ-O 3.48Å; T179-G182 PolarHBondContact O-N 3.13Å
183G77.9Confident84.2Confident6 Ų630 Ų306%0.06215%0.154CC..  trans-114.5179.3157.500000109.8K185 A186 V187G183-K185 VanDerWaalsContact C-N 3.29Å; G183-K185 PolarHBondContact O-N 2.77Å; G183-A186 WeakPolarHBondContact O-CA 3.34Å; G183-A186 WeakPolarHBondContact O-CB 3.22Å; G183-A186 PolarHBondContact O-N 2.89Å; G183-V187 PolarHBondContact O-N 3.01Å; G183-V187 VanDerWaalsContact O-N 3.1Å
184M82.5Confident84.4Confident4 Ų426.1 Ų26.12%0.0213%0.133CC..Hα-helixtrans-49.4-42.4-172.5-178.359.479.200114.3F47 F48 L54 A186 V187 V188 Q267 R268F47-M184 WeakPolarHBondContact O-CB 3.34Å; F47-M184 PolarHBondContact O-N 2.95Å; F48-M184 WeakPolarHBondContact O-CB 3.39Å; F48-M184 VanDerWaalsContact O-CE 3.24Å; F48-M184 WeakPolarHBondContact O-CE 3.38Å; L54-M184 HydrophobicContact CD1-CG 4.42Å; M184-A186 VanDerWaalsContact C-N 3.34Å; M184-A186 PolarHBondContact O-N 2.86Å; M184-V187 PolarHBondContact O-N 2.66Å; M184-V188 HydrophobicContact CG-CG2 4.48Å; M184-V188 WeakPolarHBondContact O-CG2 3.32Å; M184-V188 PolarHBondContact O-N 3.4Å; M184-V188 HydrophobicContact SD-CG2 3.92Å; M184-Q267 HydrophobicContact CE-CB 4.21Å; M184-Q267 HydrophobicContact CE-CG 3.7Å; M184-R268 HydrophobicContact CE-CG 3.9Å; M184-R268 HydrophobicContact SD-CG 3.86Å
185K84.6Confident84.7Confident45 Ų4524.5 Ų24.520%0.19613%0.125CC..Hα-helixtrans-60.8-41176.3-65.8-178-178.5167.60112.6V34 G50 L54 G183 W189V34-K185 HydrophobicContact CG1-CB 3.82Å; G50-K185 WeakPolarHBondContact O-CE 3.42Å; G50-K185 PolarHBondContact O-NZ 2.6Å; L54-K185 HydrophobicContact CD2-CG 4.29Å; G183-K185 VanDerWaalsContact C-N 3.29Å; G183-K185 PolarHBondContact O-N 2.77Å; K185-W189 VanDerWaalsContact O-CD1 3.29Å; K185-W189 PolarHBondContact O-N 3.28Å
186A86.3Confident85.1Confident2 Ų228.3 Ų28.32%0.01715%0.149CC..Hα-helixtrans-67.7-50.9179.900000110.4G31 G183 M184 V188 W189 T190G31-A186 WeakPolarHBondContact O-CB 3.33Å; G183-A186 WeakPolarHBondContact O-CA 3.34Å; G183-A186 WeakPolarHBondContact O-CB 3.22Å; G183-A186 PolarHBondContact O-N 2.89Å; M184-A186 VanDerWaalsContact C-N 3.34Å; M184-A186 PolarHBondContact O-N 2.86Å; A186-V188 PolarHBondContact O-N 2.94Å; A186-W189 PolarHBondContact O-N 3.01Å; A186-W189 VanDerWaalsContact O-N 3.15Å; A186-T190 WeakPolarHBondContact O-CG2 3.35Å; A186-T190 PolarHBondContact O-N 3.44Å; A186-T190 PolarHBondContact O-OG1 2.57Å
187V87.7Confident85.6Confident7 Ų728.7 Ų28.74%0.04215%0.151CC..Hα-helixtrans-53.4-50.3178.3177.30000111.1G183 M184 W189 T190 D191G183-V187 PolarHBondContact O-N 3.01Å; G183-V187 VanDerWaalsContact O-N 3.1Å; M184-V187 PolarHBondContact O-N 2.66Å; V187-W189 VanDerWaalsContact C-N 3.34Å; V187-W189 PolarHBondContact O-N 3.14Å; V187-T190 WeakPolarHBondContact CA-OG1 3.29Å; V187-T190 PolarHBondContact O-N 3.03Å; V187-T190 PolarHBondContact O-OG1 3.28Å; V187-D191 WeakPolarHBondContact O-CB 3.37Å; V187-D191 PolarHBondContact O-N 2.91Å
188V91Very high86.2Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-60.9-40-179.5170.30000112.6L54 P58 V59 M184 A186 V192L54-V188 HydrophobicContact CD1-CB 4.37Å; L54-V188 HydrophobicContact CD1-CG1 4.34Å; L54-V188 HydrophobicContact CD1-CG2 3.93Å; P58-V188 HydrophobicContact CB-CG1 3.74Å; V59-V188 HydrophobicContact CG2-CG1 4.39Å; M184-V188 HydrophobicContact CG-CG2 4.48Å; M184-V188 WeakPolarHBondContact O-CG2 3.32Å; M184-V188 PolarHBondContact O-N 3.4Å; M184-V188 HydrophobicContact SD-CG2 3.92Å; A186-V188 PolarHBondContact O-N 2.94Å; V188-V192 WeakPolarHBondContact O-CG2 3.44Å; V188-V192 PolarHBondContact O-N 3.37Å
189W90.7Very high87Confident100 Ų10023.3 Ų23.338%0.37912%0.124SC..Hα-helixtrans-75.3-32.5178.6-84.8106.2000113.5I30 V34 P58 K185 A186 V187I30-W189 HydrophobicContact CG2-CB 4.03Å; V34-W189 HydrophobicContact CG2-CB 4.02Å; V34-W189 HydrophobicContact CG2-CG 4.14Å; P58-W189 HydrophobicContact CG-CH2 4.23Å; P58-W189 HydrophobicContact CG-CZ2 4.23Å; K185-W189 VanDerWaalsContact O-CD1 3.29Å; K185-W189 PolarHBondContact O-N 3.28Å; A186-W189 PolarHBondContact O-N 3.01Å; A186-W189 VanDerWaalsContact O-N 3.15Å; V187-W189 VanDerWaalsContact C-N 3.34Å; V187-W189 PolarHBondContact O-N 3.14Å
190T91.3Very high88Confident2 Ų225.9 Ų25.91%0.01214%0.14CC..Hα-helixtrans-70.9-36.6173.454.90000112.3S27 I30 Y178 A186 V187 V192 F193 Q194S27-T190 WeakPolarHBondContact O-CG2 3.37Å; I30-T190 HydrophobicContact CB-CG2 4.05Å; I30-T190 HydrophobicContact CG2-CG2 3.81Å; Y178-T190 WeakPolarHBondContact OH-CB 3.22Å; Y178-T190 WeakPolarHBondContact OH-CG2 3.37Å; Y178-T190 PolarHBondContact OH-OG1 3.04Å; A186-T190 WeakPolarHBondContact O-CG2 3.35Å; A186-T190 PolarHBondContact O-N 3.44Å; A186-T190 PolarHBondContact O-OG1 2.57Å; V187-T190 WeakPolarHBondContact CA-OG1 3.29Å; V187-T190 PolarHBondContact O-N 3.03Å; V187-T190 PolarHBondContact O-OG1 3.28Å; T190-V192 VanDerWaalsContact C-N 3.29Å; T190-V192 PolarHBondContact O-N 2.86Å; T190-F193 WeakPolarHBondContact O-CB 3.33Å; T190-F193 PolarHBondContact O-N 3Å; T190-Q194 WeakPolarHBondContact O-CB 3.45Å; T190-Q194 WeakPolarHBondContact O-CG 3.48Å; T190-Q194 PolarHBondContact O-N 3.22Å
191D93.1Very high89Confident0 Ų024.3 Ų24.30%013%0.131CC..Hα-helixtrans-60.7-39.7175.9-69.2-14.7000111.9S62 A65 S66 V187 F193 Q194 V195 R268 S353S62-D191 WeakPolarHBondContact CA-OD2 3.26Å; S62-D191 VanDerWaalsContact CB-OD2 3.3Å; S62-D191 WeakPolarHBondContact CB-OD2 3.3Å; S62-D191 PolarHBondContact OG-OD2 2.67Å; A65-D191 HydrophobicContact CB-CB 3.9Å; S66-D191 PolarHBondContact OG-OD2 3.16Å; V187-D191 WeakPolarHBondContact O-CB 3.37Å; V187-D191 PolarHBondContact O-N 2.91Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 3.27Å; D191-Q194 PolarHBondContact O-N 3.26Å; D191-Q194 VanDerWaalsContact O-N 3.12Å; D191-V195 WeakPolarHBondContact O-CG2 3.32Å; D191-V195 PolarHBondContact O-N 3.05Å; D191-R268 IonicContact OD2-CZ 3.58Å; D191-R268 IonicContact OD2-NH1 3.55Å; D191-R268 IonicContact OD2-NH2 3.6Å; D191-R268 PolarHBondContact OD2-NH2 2.81Å; D191-S353 WeakPolarHBondContact OD1-CA 3.13Å; D191-S353 VanDerWaalsContact OD1-CB 3.22Å; D191-S353 WeakPolarHBondContact OD1-CB 3.27Å; D191-S353 PolarHBondContact OD1-OG 2.78Å; D191-S353 PolarHBondContact OD2-OG 3.42Å
192V94Very high90.1Very high29 Ų2921.1 Ų21.118%0.17611%0.111CC..Hα-helixtrans-57.6-43.1176.8169.50000111.1P58 L61 V188 T190P58-V192 HydrophobicContact CB-CG2 3.94Å; L61-V192 HydrophobicContact CB-CG2 4.1Å; L61-V192 HydrophobicContact CD1-CG1 4.11Å; L61-V192 HydrophobicContact CD1-CG2 4.22Å; V188-V192 WeakPolarHBondContact O-CG2 3.44Å; V188-V192 PolarHBondContact O-N 3.37Å; T190-V192 VanDerWaalsContact C-N 3.29Å; T190-V192 PolarHBondContact O-N 2.86Å
193F93.8Very high91.4Very high58 Ų5827 Ų2725%0.25413%0.131SC..Hα-helixtrans-66.3-44.3174171.1-107.8000111.4M23 V26 S27 I30 T190 D191 V195 V196 V197M23-F193 HydrophobicContact CG-CE1 4.25Å; V26-F193 HydrophobicContact CB-CE1 4.08Å; V26-F193 HydrophobicContact CB-CZ 3.93Å; V26-F193 HydrophobicContact CG1-CD1 4.21Å; V26-F193 HydrophobicContact CG1-CD2 4.21Å; V26-F193 HydrophobicContact CG1-CE1 3.72Å; V26-F193 HydrophobicContact CG1-CE2 3.73Å; V26-F193 HydrophobicContact CG1-CG 4.44Å; V26-F193 HydrophobicContact CG1-CZ 3.46Å; V26-F193 VanDerWaalsContact CG1-CZ 3.46Å; S27-F193 WeakPolarHBondContact OG-CE1 3.48Å; I30-F193 HydrophobicContact CD1-CB 3.8Å; I30-F193 HydrophobicContact CD1-CD1 4.23Å; I30-F193 HydrophobicContact CD1-CD2 4.37Å; I30-F193 HydrophobicContact CD1-CG 3.88Å; T190-F193 WeakPolarHBondContact O-CB 3.33Å; T190-F193 PolarHBondContact O-N 3Å; D191-F193 VanDerWaalsContact C-N 3.29Å; D191-F193 PolarHBondContact O-N 3.27Å; F193-V195 PolarHBondContact O-N 3.09Å; F193-V196 WeakPolarHBondContact O-CB 3.48Å; F193-V196 PolarHBondContact O-N 3.43Å; F193-V196 VanDerWaalsContact O-N 3.11Å; F193-V197 HydrophobicContact CD1-CG2 4.27Å; F193-V197 HydrophobicContact CD2-CG2 4.36Å; F193-V197 HydrophobicContact CE1-CG2 3.79Å; F193-V197 HydrophobicContact CE2-CG2 3.88Å; F193-V197 HydrophobicContact CZ-CG2 3.57Å; F193-V197 PolarHBondContact O-N 3.29Å
194Q93.4Very high92.3Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-61.9-38.5-179.1-77.6172.2-1100113.1M23 Y178 T190 D191 V196 V197 M198 S349M23-Q194 HydrophobicContact CE-CG 3.93Å; Y178-Q194 PolarHBondContact OH-NE2 3.43Å; T190-Q194 WeakPolarHBondContact O-CB 3.45Å; T190-Q194 WeakPolarHBondContact O-CG 3.48Å; T190-Q194 PolarHBondContact O-N 3.22Å; D191-Q194 PolarHBondContact O-N 3.26Å; D191-Q194 VanDerWaalsContact O-N 3.12Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.4Å; Q194-V197 PolarHBondContact O-N 3.44Å; Q194-M198 VanDerWaalsContact O-CG 3.22Å; Q194-M198 WeakPolarHBondContact O-CG 3.37Å; Q194-M198 PolarHBondContact O-N 3.37Å; Q194-S349 PolarHBondContact OE1-O 2.81Å
195V93.4Very high92.9Very high4 Ų429 Ų292%0.02414%0.142CC..Hα-helixtrans-60.8-40.3172.9170.90000111.9L61 A65 D191 F193 M198 L199 I292L61-V195 HydrophobicContact CD2-CG1 4.35Å; L61-V195 WeakPolarHBondContact O-CG2 3.32Å; A65-V195 HydrophobicContact CB-CG2 3.54Å; D191-V195 WeakPolarHBondContact O-CG2 3.32Å; D191-V195 PolarHBondContact O-N 3.05Å; F193-V195 PolarHBondContact O-N 3.09Å; V195-M198 PolarHBondContact O-N 2.71Å; V195-L199 HydrophobicContact CG1-CD1 4.02Å; V195-L199 WeakPolarHBondContact O-CG 3.23Å; V195-L199 PolarHBondContact O-N 3.43Å; V195-I292 HydrophobicContact CG1-CD1 4.27Å
196V94.9Very high93.5Very high81 Ų8128.3 Ų28.349%0.49114%0.14SC..Hα-helixtrans-65.5-45.9177177.10000110.4F193 Q194 M198 L199 V200F193-V196 WeakPolarHBondContact O-CB 3.48Å; F193-V196 PolarHBondContact O-N 3.43Å; F193-V196 VanDerWaalsContact O-N 3.11Å; Q194-V196 VanDerWaalsContact C-N 3.32Å; Q194-V196 PolarHBondContact O-N 3.4Å; V196-M198 VanDerWaalsContact C-N 3.3Å; V196-M198 PolarHBondContact O-N 2.65Å; V196-L199 PolarHBondContact O-N 3.16Å; V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 WeakPolarHBondContact O-CB 3.33Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.36Å
197V94.8Very high94Very high16 Ų1630.8 Ų30.810%0.09716%0.161CC..Hα-helixtrans-58.9-41.7175.7176.60000111.4M23 F193 Q194 G201 L342 A345 S349M23-V197 HydrophobicContact CG-CG1 4.31Å; F193-V197 HydrophobicContact CD1-CG2 4.27Å; F193-V197 HydrophobicContact CD2-CG2 4.36Å; F193-V197 HydrophobicContact CE1-CG2 3.79Å; F193-V197 HydrophobicContact CE2-CG2 3.88Å; F193-V197 HydrophobicContact CZ-CG2 3.57Å; F193-V197 PolarHBondContact O-N 3.29Å; Q194-V197 PolarHBondContact O-N 3.44Å; V197-G201 PolarHBondContact O-N 3.43Å; V197-L342 HydrophobicContact CG1-CD1 4.5Å; V197-A345 HydrophobicContact CG1-CB 4.12Å; V197-S349 WeakPolarHBondContact CG1-OG 3.41Å
198M93.2Very high94.5Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-63.8-49.8178.1-70.9164.965.500112.9M68 V73 Q194 V195 V196 G201 F202 I292 C346M68-M198 HydrophobicContact CB-CE 3.72Å; M68-M198 WeakPolarHBondContact O-CE 3.38Å; V73-M198 HydrophobicContact CG2-CE 4.45Å; Q194-M198 VanDerWaalsContact O-CG 3.22Å; Q194-M198 WeakPolarHBondContact O-CG 3.37Å; Q194-M198 PolarHBondContact O-N 3.37Å; V195-M198 PolarHBondContact O-N 2.71Å; V196-M198 VanDerWaalsContact C-N 3.3Å; V196-M198 PolarHBondContact O-N 2.65Å; M198-G201 PolarHBondContact O-N 2.95Å; M198-F202 WeakPolarHBondContact O-CD2 3.4Å; M198-F202 PolarHBondContact O-N 3.15Å; M198-I292 HydrophobicContact CE-CD1 4.43Å; M198-I292 HydrophobicContact CE-CG2 4.08Å; M198-C346 VanDerWaalsContact CA-SG 3.59Å; M198-C346 WeakPolarHBondContact CG-O 3.19Å
199L94.7Very high94.7Very high21 Ų2133.1 Ų33.111%0.1117%0.168CC..Hα-helixtrans-62.1-44.4179-73.7172000111.3V195 V196 G201 F202 W203 L291 I292V195-L199 HydrophobicContact CG1-CD1 4.02Å; V195-L199 WeakPolarHBondContact O-CG 3.23Å; V195-L199 PolarHBondContact O-N 3.43Å; V196-L199 PolarHBondContact O-N 3.16Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 2.74Å; L199-F202 PolarHBondContact O-N 3.16Å; L199-W203 HydrophobicContact CB-CZ2 4.22Å; L199-W203 HydrophobicContact CD1-CZ2 4.49Å; L199-W203 HydrophobicContact CD2-CZ2 4.2Å; L199-W203 WeakPolarHBondContact O-CB 3.15Å; L199-W203 PolarHBondContact O-N 3.04Å; L199-L291 HydrophobicContact CD2-CB 4.12Å; L199-I292 HydrophobicContact CD2-CB 4.39Å; L199-I292 HydrophobicContact CD2-CG1 3.69Å; L199-I292 HydrophobicContact CG-CG1 4.11Å
200V96.1Very high95.1Very high59 Ų5929.8 Ų29.836%0.35816%0.159SC..Hα-helixtrans-60.9-43.4175.9171.80000111.1V196 W203 V204 L342V196-V200 HydrophobicContact CG1-CG2 4.3Å; V196-V200 WeakPolarHBondContact O-CB 3.33Å; V196-V200 VanDerWaalsContact O-CG2 3.26Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.36Å; V200-W203 PolarHBondContact O-N 2.69Å; V200-V204 HydrophobicContact CG1-CG2 4.35Å; V200-V204 WeakPolarHBondContact O-CB 3.35Å; V200-V204 VanDerWaalsContact O-CG2 3.31Å; V200-V204 WeakPolarHBondContact O-CG2 3.47Å; V200-V204 PolarHBondContact O-N 3.04Å; V200-L342 HydrophobicContact CG1-CD2 4.23Å
201G94.7Very high95.3Very high1 Ų136.4 Ų36.41%0.0119%0.192CC..Hα-helixtrans-57.7-49.4175.600000112.9V197 M198 L199 I205V197-G201 PolarHBondContact O-N 3.43Å; M198-G201 PolarHBondContact O-N 2.95Å; L199-G201 VanDerWaalsContact C-N 3.35Å; L199-G201 PolarHBondContact O-N 2.74Å; G201-I205 WeakPolarHBondContact O-CD1 2.97Å; G201-I205 WeakPolarHBondContact O-CG1 3.46Å; G201-I205 PolarHBondContact O-N 2.73Å
202F94.8Very high95.4Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-63.1-43.4175.2-72.9-61.2000112.7V73 P77 M198 L199 V204 I205 L206 I292 A296V73-F202 HydrophobicContact CB-CZ 4.12Å; V73-F202 HydrophobicContact CG1-CE1 4.15Å; V73-F202 HydrophobicContact CG1-CZ 4.02Å; V73-F202 HydrophobicContact CG2-CE2 4.32Å; V73-F202 HydrophobicContact CG2-CZ 3.89Å; P77-F202 HydrophobicContact CG-CE1 4.48Å; M198-F202 WeakPolarHBondContact O-CD2 3.4Å; M198-F202 PolarHBondContact O-N 3.15Å; L199-F202 PolarHBondContact O-N 3.16Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 3.14Å; F202-I205 PolarHBondContact O-N 3.28Å; F202-L206 WeakPolarHBondContact O-CB 3.45Å; F202-L206 WeakPolarHBondContact O-CG 3.34Å; F202-L206 PolarHBondContact O-N 3.48Å; F202-I292 HydrophobicContact CD2-CG2 4.3Å; F202-I292 HydrophobicContact CE2-CG2 3.67Å; F202-A296 HydrophobicContact CD1-CB 4.38Å; F202-A296 HydrophobicContact CE1-CB 3.68Å; F202-A296 HydrophobicContact CE2-CB 4.34Å; F202-A296 HydrophobicContact CZ-CB 3.64Å
203W97Very high95.5Very high133 Ų13340.2 Ų40.250%0.50421%0.21SC..Hα-helixtrans-67.7-33-176.7-64.8-8.2000112.7L199 V200 A207 S295L199-W203 HydrophobicContact CB-CZ2 4.22Å; L199-W203 HydrophobicContact CD1-CZ2 4.49Å; L199-W203 HydrophobicContact CD2-CZ2 4.2Å; L199-W203 WeakPolarHBondContact O-CB 3.15Å; L199-W203 PolarHBondContact O-N 3.04Å; V200-W203 PolarHBondContact O-N 2.69Å; W203-A207 VanDerWaalsContact O-CB 3.29Å; W203-A207 WeakPolarHBondContact O-CB 3.36Å; W203-A207 PolarHBondContact O-N 3.24Å; W203-S295 PolarHBondContact NE1-OG 2.84Å
204V96.8Very high95.6Very high49 Ų4940.3 Ų40.330%0.29723%0.228SC..Hα-helixtrans-66.7-44.8172.51700000111.1V200 F202 A207 R208 F333 V339 L342V200-V204 HydrophobicContact CG1-CG2 4.35Å; V200-V204 WeakPolarHBondContact O-CB 3.35Å; V200-V204 VanDerWaalsContact O-CG2 3.31Å; V200-V204 WeakPolarHBondContact O-CG2 3.47Å; V200-V204 PolarHBondContact O-N 3.04Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 3.14Å; V204-A207 PolarHBondContact O-N 3.27Å; V204-R208 PolarHBondContact O-N 2.88Å; V204-F333 HydrophobicContact CG1-CE1 4.09Å; V204-F333 HydrophobicContact CG1-CZ 3.71Å; V204-V339 HydrophobicContact CG1-CG1 3.51Å; V204-L342 HydrophobicContact CB-CD2 4.27Å; V204-L342 HydrophobicContact CG1-CD2 4.43Å; V204-L342 HydrophobicContact CG2-CD2 4.04Å
205I95.8Very high95.7Very high3 Ų341.2 Ų41.22%0.01524%0.237CC..Hα-helixtrans-60.2-47174.6-67.1164000110.9G201 F202 G209 M325 L328 V329 I332 F333 F343G201-I205 WeakPolarHBondContact O-CD1 2.97Å; G201-I205 WeakPolarHBondContact O-CG1 3.46Å; G201-I205 PolarHBondContact O-N 2.73Å; F202-I205 PolarHBondContact O-N 3.28Å; I205-G209 PolarHBondContact O-N 3.12Å; I205-M325 HydrophobicContact CD1-SD 4.34Å; I205-M325 HydrophobicContact CG2-SD 4.23Å; I205-L328 HydrophobicContact CG2-CD2 4.29Å; I205-V329 HydrophobicContact CD1-CG2 3.71Å; I205-V329 HydrophobicContact CG1-CG2 4.06Å; I205-I332 HydrophobicContact CG2-CD1 4.18Å; I205-F333 HydrophobicContact CG1-CE2 4.01Å; I205-F343 HydrophobicContact CD1-CB 4.33Å; I205-F343 HydrophobicContact CD1-CD2 3.58Å; I205-F343 HydrophobicContact CD1-CE2 4.28Å; I205-F343 HydrophobicContact CD1-CG 4.25Å
206L96.5Very high95.8Very high30 Ų3045.7 Ų45.716%0.15727%0.266CS..Hα-helixtrans-57.6-51.2175.7-75.5175.1000111.7F202 R208 G209 V210 C298 C299 V302F202-L206 WeakPolarHBondContact O-CB 3.45Å; F202-L206 WeakPolarHBondContact O-CG 3.34Å; F202-L206 PolarHBondContact O-N 3.48Å; L206-R208 PolarHBondContact O-N 3.23Å; L206-G209 PolarHBondContact O-N 3.41Å; L206-V210 WeakPolarHBondContact O-CB 3.43Å; L206-V210 WeakPolarHBondContact O-CG2 3.3Å; L206-V210 PolarHBondContact O-N 2.67Å; L206-C298 HydrophobicContact CD1-CB 4.25Å; L206-C298 VanDerWaalsContact CD2-C 3.46Å; L206-C298 HydrophobicContact CD2-CB 3.6Å; L206-C299 HydrophobicContact CD2-CB 4.34Å; L206-C299 VanDerWaalsContact CG-SG 3.57Å; L206-V302 HydrophobicContact CD2-CG2 4.14Å
207A97Very high95.9Very high54 Ų5451.6 Ų51.645%0.44628%0.279SS..Hα-helixtrans-59.4-50.5-177.600000111.3W203 V204 M211W203-A207 VanDerWaalsContact O-CB 3.29Å; W203-A207 WeakPolarHBondContact O-CB 3.36Å; W203-A207 PolarHBondContact O-N 3.24Å; V204-A207 PolarHBondContact O-N 3.27Å; A207-M211 WeakPolarHBondContact O-CB 3.33Å; A207-M211 WeakPolarHBondContact O-CG 3.48Å; A207-M211 PolarHBondContact O-N 3.06Å
208R96.9Very high96Very high55 Ų5553.9 Ų53.921%0.20829%0.291CS..Hα-helixtrans-62.7-50179.2178.763169.7176.9-2.4112V204 L206 V210 M211 L212 I332 F333 D335V204-R208 PolarHBondContact O-N 2.88Å; L206-R208 PolarHBondContact O-N 3.23Å; R208-V210 PolarHBondContact O-N 2.9Å; R208-M211 WeakPolarHBondContact O-CB 3.43Å; R208-M211 PolarHBondContact O-N 3.28Å; R208-L212 HydrophobicContact CG-CD1 4.14Å; R208-L212 WeakPolarHBondContact O-CG 3.37Å; R208-L212 PolarHBondContact O-N 2.79Å; R208-I332 HydrophobicContact CB-CD1 4.32Å; R208-I332 HydrophobicContact CG-CB 4.16Å; R208-I332 HydrophobicContact CG-CD1 4.16Å; R208-I332 HydrophobicContact CG-CG1 4.06Å; R208-I332 PolarHBondContact NE-O 3.5Å; R208-I332 PolarHBondContact NH2-O 3.44Å; R208-F333 HydrophobicContact CB-CD1 4.45Å; R208-F333 HydrophobicContact CB-CE1 3.47Å; R208-F333 VanDerWaalsContact CB-CE1 3.47Å; R208-F333 HydrophobicContact CB-CE2 4.34Å; R208-F333 HydrophobicContact CB-CZ 3.39Å; R208-F333 HydrophobicContact CG-CD1 4Å; R208-F333 HydrophobicContact CG-CE1 3.49Å; R208-F333 VanDerWaalsContact CG-CE1 3.49Å; R208-F333 HydrophobicContact CG-CE2 4.47Å; R208-F333 HydrophobicContact CG-CZ 3.76Å; R208-D335 IonicContact NH2-OD2 3.01Å; R208-D335 PolarHBondContact NH2-OD2 3.07Å
209G96.5Very high96.2Very high0 Ų054.4 Ų54.40%029%0.294CS..Hα-helixtrans-66.4-37.8-177.700000112.8I205 L206 L212 M213I205-G209 PolarHBondContact O-N 3.12Å; L206-G209 PolarHBondContact O-N 3.41Å; G209-L212 PolarHBondContact O-N 3.16Å; G209-M213 WeakPolarHBondContact O-CB 3.42Å; G209-M213 WeakPolarHBondContact O-CG 3.29Å; G209-M213 PolarHBondContact O-N 2.94Å
210V97.5Very high96.3Very high30 Ų3057 Ų5718%0.18231%0.308CS..Hα-helixtrans-64.3-39.4172.5170.30000111.5L206 R208 G215 P216 V219 V302L206-V210 WeakPolarHBondContact O-CB 3.43Å; L206-V210 WeakPolarHBondContact O-CG2 3.3Å; L206-V210 PolarHBondContact O-N 2.67Å; R208-V210 PolarHBondContact O-N 2.9Å; V210-G215 VanDerWaalsContact O-CA 3.29Å; V210-G215 WeakPolarHBondContact O-CA 3.35Å; V210-G215 PolarHBondContact O-N 3.34Å; V210-P216 HydrophobicContact CG1-CB 3.93Å; V210-P216 HydrophobicContact CG1-CG 4.35Å; V210-P216 VanDerWaalsContact CG1-N 3.35Å; V210-V219 HydrophobicContact CG2-CG2 4.37Å; V210-V302 HydrophobicContact CG2-CG2 3.73Å
211M96.4Very high96.4Very high142 Ų14255.8 Ų55.870%0.730%0.302SS*.Hα-helixtrans-64.1-46.9175.4-73.717067.400112.1A207 R208 M213 G214A207-M211 WeakPolarHBondContact O-CB 3.33Å; A207-M211 WeakPolarHBondContact O-CG 3.48Å; A207-M211 PolarHBondContact O-N 3.06Å; R208-M211 WeakPolarHBondContact O-CB 3.43Å; R208-M211 PolarHBondContact O-N 3.28Å; M211-M213 VanDerWaalsContact C-N 3.31Å; M211-M213 PolarHBondContact O-N 3.07Å; M211-G214 PolarHBondContact O-N 2.82Å
212L95.5Very high96.4Very high74 Ų7457 Ų5739%0.38731%0.308SS..Hα-helixtrans-62.5-37.2178.3-69.5176.2000112.2R208 G209 G214 Y306 I332R208-L212 HydrophobicContact CG-CD1 4.14Å; R208-L212 WeakPolarHBondContact O-CG 3.37Å; R208-L212 PolarHBondContact O-N 2.79Å; G209-L212 PolarHBondContact O-N 3.16Å; L212-G214 PolarHBondContact O-N 3.45Å; L212-Y306 HydrophobicContact CD1-CE2 4.43Å; L212-I332 HydrophobicContact CD1-CB 3.67Å; L212-I332 HydrophobicContact CD1-CG2 3.84Å
213M95.4Very high96.5Very high34 Ų3457 Ų5717%0.16731%0.308CS..THydrogen-bonded Turntrans-8321.1177.9-61.4-42.4-60.400114.3G209 M211 N218 V219 V305 Y306G209-M213 WeakPolarHBondContact O-CB 3.42Å; G209-M213 WeakPolarHBondContact O-CG 3.29Å; G209-M213 PolarHBondContact O-N 2.94Å; M211-M213 VanDerWaalsContact C-N 3.31Å; M211-M213 PolarHBondContact O-N 3.07Å; M213-N218 WeakPolarHBondContact O-CB 3.39Å; M213-N218 PolarHBondContact O-ND2 2.9Å; M213-V219 HydrophobicContact CB-CG2 3.58Å; M213-V219 HydrophobicContact CG-CG2 4.43Å; M213-V305 HydrophobicContact CB-CG1 4.15Å; M213-V305 HydrophobicContact CE-CG1 3.73Å; M213-V305 HydrophobicContact CG-CG1 3.96Å; M213-Y306 HydrophobicContact SD-CD2 3.68Å; M213-Y306 HydrophobicContact SD-CG 4.39Å
214G95.4Very high96.5Very high61 Ų6156.6 Ų56.663%0.62931%0.312SS*.THydrogen-bonded Turntrans76.721.6172.500000115.1M211 L212M211-G214 PolarHBondContact O-N 2.82Å; L212-G214 PolarHBondContact O-N 3.45Å
215G96.3Very high96.4Very high18 Ų1860.2 Ų60.219%0.18633%0.33CS..SBendtrans96.1167.6175.200000114.9V210 W217 N218 V219V210-G215 VanDerWaalsContact O-CA 3.29Å; V210-G215 WeakPolarHBondContact O-CA 3.35Å; V210-G215 PolarHBondContact O-N 3.34Å; G215-W217 VanDerWaalsContact C-N 3.31Å; G215-W217 PolarHBondContact O-N 2.94Å; G215-N218 PolarHBondContact O-N 2.88Å; G215-N218 VanDerWaalsContact O-N 3.16Å; G215-V219 PolarHBondContact O-N 2.65Å
216P96.2Very high96.4Very high98 Ų9863.5 Ų63.564%0.63635%0.345SS*.Hα-helixtrans-66-31.6-166.724.5-34000113.2V210 V219 L220V210-P216 HydrophobicContact CG1-CB 3.93Å; V210-P216 HydrophobicContact CG1-CG 4.35Å; V210-P216 VanDerWaalsContact CG1-N 3.35Å; P216-V219 PolarHBondContact O-N 2.96Å; P216-L220 WeakPolarHBondContact O-CB 3.32Å; P216-L220 PolarHBondContact O-N 3.39Å
217W96.9Very high96.4Very high205 Ų20565.5 Ų65.578%0.77736%0.361SS*.Hα-helixtrans-66.9-38177.3-171.8-108.1000112.5G215 L220 S221G215-W217 VanDerWaalsContact C-N 3.31Å; G215-W217 PolarHBondContact O-N 2.94Å; W217-L220 HydrophobicContact CE3-CD2 4.39Å; W217-L220 HydrophobicContact CZ3-CD2 4.29Å; W217-L220 PolarHBondContact O-N 2.91Å; W217-S221 WeakPolarHBondContact O-CB 3.22Å; W217-S221 PolarHBondContact O-N 3.49Å; W217-S221 PolarHBondContact O-OG 3.28Å
218N97.1Very high96.3Very high65 Ų6563 Ų6335%0.34834%0.34SS..Hα-helixtrans-72.6-37.6177.8-168.756.2000111.8M213 G215 S221 L222M213-N218 WeakPolarHBondContact O-CB 3.39Å; M213-N218 PolarHBondContact O-ND2 2.9Å; G215-N218 PolarHBondContact O-N 2.88Å; G215-N218 VanDerWaalsContact O-N 3.16Å; N218-S221 PolarHBondContact O-OG 3.37Å; N218-S221 VanDerWaalsContact O-OG 3.11Å; N218-L222 VanDerWaalsContact O-CB 3.32Å; N218-L222 WeakPolarHBondContact O-CB 3.32Å; N218-L222 VanDerWaalsContact O-CG 3.27Å; N218-L222 WeakPolarHBondContact O-CG 3.16Å; N218-L222 PolarHBondContact O-N 2.91Å
219V97.4Very high96.2Very high11 Ų1163.1 Ų63.17%0.06734%0.344CS..Hα-helixtrans-60.5-46.2170.7175.30000110.8V210 M213 G215 P216 A223 I301 V302 V305V210-V219 HydrophobicContact CG2-CG2 4.37Å; M213-V219 HydrophobicContact CB-CG2 3.58Å; M213-V219 HydrophobicContact CG-CG2 4.43Å; G215-V219 PolarHBondContact O-N 2.65Å; P216-V219 PolarHBondContact O-N 2.96Å; V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 3.12Å; V219-I301 HydrophobicContact CG1-CG2 4.07Å; V219-V302 HydrophobicContact CG1-CG2 4.05Å; V219-V305 HydrophobicContact CG1-CG2 4.22Å
220L96.4Very high96.1Very high75 Ų7564.3 Ų64.339%0.39335%0.351SS..Hα-helixtrans-65.7-43.5-179.5-176.162.2000112.5P216 W217 A223 Q224 I229P216-L220 WeakPolarHBondContact O-CB 3.32Å; P216-L220 PolarHBondContact O-N 3.39Å; W217-L220 HydrophobicContact CE3-CD2 4.39Å; W217-L220 HydrophobicContact CZ3-CD2 4.29Å; W217-L220 PolarHBondContact O-N 2.91Å; L220-A223 PolarHBondContact O-N 2.65Å; L220-Q224 WeakPolarHBondContact O-CB 3.41Å; L220-Q224 PolarHBondContact O-N 3.22Å; L220-I229 HydrophobicContact CD1-CD1 3.71Å; L220-I229 HydrophobicContact CD1-CG1 3.93Å
221S97.2Very high95.9Very high33 Ų3365.8 Ų65.823%0.23136%0.357CS..Hα-helixtrans-67-43179.168.20000112W217 N218 Q224 N225W217-S221 WeakPolarHBondContact O-CB 3.22Å; W217-S221 PolarHBondContact O-N 3.49Å; W217-S221 PolarHBondContact O-OG 3.28Å; N218-S221 PolarHBondContact O-OG 3.37Å; N218-S221 VanDerWaalsContact O-OG 3.11Å; S221-Q224 PolarHBondContact O-N 3.35Å; S221-N225 WeakPolarHBondContact O-CB 3.27Å; S221-N225 PolarHBondContact O-N 3.4Å; S221-N225 PolarHBondContact O-ND2 2.92Å; S221-N225 PolarHBondContact O-OD1 3.34Å
222L96.3Very high95.8Very high28 Ų2866.4 Ų66.415%0.14736%0.36CS..Hα-helixtrans-63.9-41.1174.5-71.8171.1000111.5N218 N225 H226 V305 K308N218-L222 VanDerWaalsContact O-CB 3.32Å; N218-L222 WeakPolarHBondContact O-CB 3.32Å; N218-L222 VanDerWaalsContact O-CG 3.27Å; N218-L222 WeakPolarHBondContact O-CG 3.16Å; N218-L222 PolarHBondContact O-N 2.91Å; L222-N225 PolarHBondContact O-N 2.98Å; L222-H226 PolarHBondContact O-N 3.22Å; L222-H226 PolarHBondContact O-ND1 3.11Å; L222-V305 HydrophobicContact CB-CG1 4.07Å; L222-V305 HydrophobicContact CB-CG2 3.96Å; L222-V305 HydrophobicContact CD1-CG1 3.64Å; L222-K308 HydrophobicContact CD1-CD 4.27Å; L222-K308 HydrophobicContact CD2-CD 4.23Å
223A96.7Very high95.6Very high0 Ų064.9 Ų64.90%035%0.352CS..Hα-helixtrans-63.3-40.4174.700000112.5V219 L220 H226 S227 R228 I229 I301 V305V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 3.12Å; L220-A223 PolarHBondContact O-N 2.65Å; A223-H226 PolarHBondContact O-N 2.9Å; A223-S227 PolarHBondContact O-N 3.5Å; A223-R228 HydrophobicContact CB-CB 4.16Å; A223-R228 WeakPolarHBondContact O-CA 3.38Å; A223-R228 WeakPolarHBondContact O-CB 3.44Å; A223-R228 PolarHBondContact O-N 3.14Å; A223-I229 HydrophobicContact CB-CD1 3.83Å; A223-I229 HydrophobicContact CB-CG1 3.91Å; A223-I301 HydrophobicContact CB-CG2 3.46Å; A223-I301 VanDerWaalsContact CB-CG2 3.46Å; A223-V305 HydrophobicContact CB-CG2 4.41Å
224Q95.8Very high95.6Very high124 Ų12467.4 Ų67.458%0.57936%0.363SS*.Hα-helixtrans-67.3-45177.7-174.9172.7-5.800111.5L220 S221 H226 S227 I229L220-Q224 WeakPolarHBondContact O-CB 3.41Å; L220-Q224 PolarHBondContact O-N 3.22Å; S221-Q224 PolarHBondContact O-N 3.35Å; Q224-H226 PolarHBondContact O-N 3.49Å; Q224-S227 PolarHBondContact O-N 3.46Å; Q224-S227 VanDerWaalsContact O-N 3.12Å; Q224-I229 HydrophobicContact CB-CB 4.41Å; Q224-I229 HydrophobicContact CB-CG1 4.08Å
225N95.8Very high95.5Very high125 Ų12567.6 Ų67.667%0.66835%0.349SS*.Hα-helixtrans-62.9-24.3179.1-70.3-10.6000113.5S221 L222S221-N225 WeakPolarHBondContact O-CB 3.27Å; S221-N225 PolarHBondContact O-N 3.4Å; S221-N225 PolarHBondContact O-ND2 2.92Å; S221-N225 PolarHBondContact O-OD1 3.34Å; L222-N225 PolarHBondContact O-N 2.98Å
226H95.3Very high95.4Very high72 Ų7271.4 Ų71.433%0.33337%0.371SS..THydrogen-bonded Turntrans-10726.3177.1-59.884.7000113L222 A223 Q224 R228 F304L222-H226 PolarHBondContact O-N 3.22Å; L222-H226 PolarHBondContact O-ND1 3.11Å; A223-H226 PolarHBondContact O-N 2.9Å; Q224-H226 PolarHBondContact O-N 3.49Å; H226-R228 PolarHBondContact O-N 3Å; H226-R228 PolarHBondContact O-NH1 2.88Å; H226-F304 HydrophobicContact CB-CE1 3.6Å; H226-F304 HydrophobicContact CB-CZ 3.41Å; H226-F304 VanDerWaalsContact CB-CZ 3.41Å; H226-F304 AromaticContact CG-CE1 3.93Å; H226-F304 AromaticContact CG-CZ 3.66Å
227S95.4Very high95.2Very high72 Ų7268.6 Ų68.650%0.50335%0.35SS..THydrogen-bonded Turntrans55.426.9175-55.90000115A223 Q224 N230 L476A223-S227 PolarHBondContact O-N 3.5Å; Q224-S227 PolarHBondContact O-N 3.46Å; Q224-S227 VanDerWaalsContact O-N 3.12Å; S227-N230 VanDerWaalsContact O-CB 3.28Å; S227-N230 WeakPolarHBondContact O-CB 3.3Å; S227-N230 VanDerWaalsContact O-CG 3.31Å; S227-N230 PolarHBondContact O-ND2 3Å; S227-L476 WeakPolarHBondContact O-CD1 3.42Å
228R95.8Very high95Very high1 Ų161.5 Ų61.50%0.00433%0.331CS..  trans-86-17.4174.1-58.1-50.3-164.6-92.712.4113A81 G84 L85 A223 H226 N230 I301 F304 L476 P477A81-R228 PolarHBondContact O-NE 3.15Å; A81-R228 PolarHBondContact O-NH2 3.31Å; G84-R228 CarbonylContact C-O 3.16Å; G84-R228 WeakPolarHBondContact CA-O 3.16Å; L85-R228 PolarHBondContact N-O 2.81Å; A223-R228 HydrophobicContact CB-CB 4.16Å; A223-R228 WeakPolarHBondContact O-CA 3.38Å; A223-R228 WeakPolarHBondContact O-CB 3.44Å; A223-R228 PolarHBondContact O-N 3.14Å; H226-R228 PolarHBondContact O-N 3Å; H226-R228 PolarHBondContact O-NH1 2.88Å; R228-N230 PolarHBondContact O-N 3.45Å; R228-N230 PolarHBondContact O-OD1 3.46Å; R228-I301 HydrophobicContact CB-CD1 3.78Å; R228-F304 HydrophobicContact CG-CD1 3.58Å; R228-F304 HydrophobicContact CG-CD2 4.48Å; R228-F304 HydrophobicContact CG-CE1 3.73Å; R228-F304 HydrophobicContact CG-CG 3.99Å; R228-F304 HydrophobicContact CG-CZ 4.27Å; R228-F304 VanDerWaalsContact NH2-CE2 3.31Å; R228-L476 VanDerWaalsContact CD-CD1 3.46Å; R228-L476 VanDerWaalsContact CZ-CB 3.48Å; R228-L476 PolarHBondContact NH2-O 3.47Å; R228-P477 PolarHBondContact NH1-O 3.49Å; R228-P477 VanDerWaalsContact NH1-O 3.14Å; R228-P477 PolarHBondContact NH2-O 3.33Å
229I95.5Very high94.9Very high58 Ų5862.8 Ų62.830%0.29733%0.331SS..  trans-93.174.9169-49.1-58.9000108.7L85 L220 A223 Q224L85-I229 HydrophobicContact CD1-CD1 3.51Å; L85-I229 HydrophobicContact CG-CD1 4.14Å; L220-I229 HydrophobicContact CD1-CD1 3.71Å; L220-I229 HydrophobicContact CD1-CG1 3.93Å; A223-I229 HydrophobicContact CB-CD1 3.83Å; A223-I229 HydrophobicContact CB-CG1 3.91Å; Q224-I229 HydrophobicContact CB-CB 4.41Å; Q224-I229 HydrophobicContact CB-CG1 4.08Å
230N94.2Very high94.6Very high24 Ų2463.2 Ų63.213%0.12833%0.334CS..  trans-126.942-163.760.9-11.5000113.5Y83 G84 L85 K86 S227 R228 M232Y83-N230 PolarHBondContact O-ND2 3.36Å; G84-N230 WeakPolarHBondContact CA-OD1 3.49Å; L85-N230 PolarHBondContact N-OD1 3.02Å; L85-N230 VanDerWaalsContact N-OD1 3.1Å; K86-N230 WeakPolarHBondContact CE-ND2 3.49Å; K86-N230 WeakPolarHBondContact CG-O 3.12Å; K86-N230 PolarHBondContact N-OD1 3.3Å; S227-N230 VanDerWaalsContact O-CB 3.28Å; S227-N230 WeakPolarHBondContact O-CB 3.3Å; S227-N230 VanDerWaalsContact O-CG 3.31Å; S227-N230 PolarHBondContact O-ND2 3Å; R228-N230 PolarHBondContact O-N 3.45Å; R228-N230 PolarHBondContact O-OD1 3.46Å; N230-M232 PolarHBondContact O-N 3.03Å
231L93.7Very high94.4Very high61 Ų6160.3 Ų60.332%0.31932%0.318SS..  trans-65.4-21.1-178.9-66.8171000113.8L85 L88 W89 D233L85-L231 HydrophobicContact CB-CD2 4.06Å; L85-L231 HydrophobicContact CB-CG 4.33Å; L85-L231 WeakPolarHBondContact O-CD2 3.29Å; L88-L231 HydrophobicContact CB-CD2 4.22Å; W89-L231 PolarHBondContact NE1-O 2.73Å; L231-D233 VanDerWaalsContact C-N 3.27Å; L231-D233 PolarHBondContact O-N 3.3Å
232M93.2Very high94.3Very high156 Ų15658.8 Ų58.877%0.76831%0.307SS*.  trans-89.539.7-174-59.2-59.5-7300113.6N230 F234N230-M232 PolarHBondContact O-N 3.03Å; M232-F234 HydrophobicContact CB-CE2 4.46Å; M232-F234 HydrophobicContact CE-CE2 3.92Å; M232-F234 HydrophobicContact SD-CE2 4.12Å
233D91.9Very high94.3Very high41 Ų4157.5 Ų57.522%0.21930%0.3CS..  trans-101.6107.6174.4-169.4-21.7000111.1K86 L231 D235 F244K86-D233 WeakPolarHBondContact CE-OD2 3.29Å; K86-D233 IonicContact NZ-OD2 3.28Å; K86-D233 PolarHBondContact NZ-OD2 3.49Å; L231-D233 VanDerWaalsContact C-N 3.27Å; L231-D233 PolarHBondContact O-N 3.3Å; D233-D235 VanDerWaalsContact OD1-CB 3.3Å; D233-D235 WeakPolarHBondContact OD1-CB 3.36Å; D233-D235 PolarHBondContact OD1-N 3.32Å; D233-F244 VanDerWaalsContact O-CB 3.27Å; D233-F244 WeakPolarHBondContact O-CB 3.42Å; D233-F244 PolarHBondContact O-N 3.3Å
234F95.2Very high94.3Very high88 Ų8859.2 Ų59.239%0.38631%0.308SS..  trans-112.619.9-179.5-65.1-88.9000112.7W89 M232 P236 F244 W245W89-F234 HydrophobicContact CZ2-CZ 4.41Å; M232-F234 HydrophobicContact CB-CE2 4.46Å; M232-F234 HydrophobicContact CE-CE2 3.92Å; M232-F234 HydrophobicContact SD-CE2 4.12Å; F234-P236 WeakPolarHBondContact O-CD 3.47Å; F234-F244 HydrophobicContact CD1-CB 3.6Å; F234-F244 AromaticContact CD1-CD1 3.65Å; F234-F244 HydrophobicContact CD1-CD1 3.65Å; F234-F244 HydrophobicContact CD1-CD2 4.07Å; F234-F244 HydrophobicContact CD1-CE1 4.31Å; F234-F244 AromaticContact CD1-CG 3.51Å; F234-F244 HydrophobicContact CD1-CG 3.51Å; F234-F244 HydrophobicContact CE1-CB 3.85Å; F234-F244 AromaticContact CE1-CD1 3.79Å; F234-F244 HydrophobicContact CE1-CD1 3.79Å; F234-F244 AromaticContact CE1-CD2 3.47Å; F234-F244 HydrophobicContact CE1-CD2 3.47Å; F234-F244 VanDerWaalsContact CE1-CD2 3.47Å; F234-F244 HydrophobicContact CE1-CE1 4.18Å; F234-F244 AromaticContact CE1-CE2 3.88Å; F234-F244 HydrophobicContact CE1-CE2 3.88Å; F234-F244 AromaticContact CE1-CG 3.42Å; F234-F244 HydrophobicContact CE1-CG 3.42Å; F234-F244 VanDerWaalsContact CE1-CG 3.42Å; F234-F244 HydrophobicContact CE1-CZ 4.21Å; F234-F244 HydrophobicContact CG-CB 4.27Å; F234-F244 HydrophobicContact CZ-CD2 4.24Å; F234-F244 HydrophobicContact CZ-CG 4.45Å; F234-W245 PolarHBondContact O-NE1 2.99Å
235D93.6Very high94.3Very high65 Ų6558.4 Ų58.435%0.34830%0.299SS..  trans-56.2121.4176.3178.79.1000110.6D233 D237 S240 T243D233-D235 VanDerWaalsContact OD1-CB 3.3Å; D233-D235 WeakPolarHBondContact OD1-CB 3.36Å; D233-D235 PolarHBondContact OD1-N 3.32Å; D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 2.85Å; D235-D237 WeakPolarHBondContact OD1-CB 3.46Å; D235-D237 PolarHBondContact OD1-N 3.3Å; D235-S240 PolarHBondContact OD2-OG 3.27Å; D235-T243 HydrophobicContact CB-CG2 4Å; D235-T243 VanDerWaalsContact O-CB 3.32Å; D235-T243 WeakPolarHBondContact O-CB 3.49Å; D235-T243 WeakPolarHBondContact O-CG2 3.44Å; D235-T243 PolarHBondContact O-OG1 3.11Å
236P93Very high94.2Very high97 Ų9752.4 Ų52.463%0.6327%0.268SS*.  trans-78.6-3.3179.533.9-37.3000113.9F234 P238F234-P236 WeakPolarHBondContact O-CD 3.47Å; P236-P238 VanDerWaalsContact O-CD 3.28Å; P236-P238 WeakPolarHBondContact O-CD 3.49Å
237D93.5Very high94.2Very high39 Ų3949 Ų4921%0.20925%0.252CS..  trans-60.9114.9178-168.9-22.1000111.1D235 R239 S240D235-D237 VanDerWaalsContact C-N 3.28Å; D235-D237 PolarHBondContact O-N 2.85Å; D235-D237 WeakPolarHBondContact OD1-CB 3.46Å; D235-D237 PolarHBondContact OD1-N 3.3Å; D237-R239 PolarHBondContact O-N 3.35Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 WeakPolarHBondContact OD1-CB 3.12Å; D237-R239 VanDerWaalsContact OD1-CG 3.24Å; D237-R239 WeakPolarHBondContact OD1-CG 3.38Å; D237-R239 IonicContact OD1-CZ 2.78Å; D237-R239 PolarHBondContact OD1-N 2.72Å; D237-R239 IonicContact OD1-NE 3.73Å; D237-R239 PolarHBondContact OD1-NE 3.4Å; D237-R239 IonicContact OD2-CZ 2.91Å; D237-R239 VanDerWaalsContact OD2-CZ 3.26Å; D237-R239 IonicContact OD2-NE 3.78Å; D237-R239 PolarHBondContact OD2-NE 2.98Å; D237-R239 IonicContact OD2-NH2 2.67Å; D237-R239 PolarHBondContact OD2-NH2 3.17Å; D237-S240 WeakPolarHBondContact O-CB 3.42Å; D237-S240 PolarHBondContact O-N 2.8Å
238P92.9Very high94.2Very high56 Ų5646.7 Ų46.736%0.36423%0.234SC..THydrogen-bonded Turntrans-70.5-9-178.431.2-37.2000113.4P236 V521 S522 Y525P236-P238 VanDerWaalsContact O-CD 3.28Å; P236-P238 WeakPolarHBondContact O-CD 3.49Å; P238-V521 HydrophobicContact CB-CG1 4.48Å; P238-V521 WeakPolarHBondContact O-CA 3.49Å; P238-S522 PolarHBondContact O-N 3.08Å; P238-Y525 HydrophobicContact CB-CD2 4.13Å; P238-Y525 HydrophobicContact CB-CE2 3.88Å
239R93.1Very high94.1Very high92 Ų9249.7 Ų49.735%0.34725%0.253SS..THydrogen-bonded Turntrans-80.2-27.5176.5-55.4174.6-64.1169.33.1112.5D237 R241 T472 D516 A520D237-R239 PolarHBondContact O-N 3.35Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 WeakPolarHBondContact OD1-CB 3.12Å; D237-R239 VanDerWaalsContact OD1-CG 3.24Å; D237-R239 WeakPolarHBondContact OD1-CG 3.38Å; D237-R239 IonicContact OD1-CZ 2.78Å; D237-R239 PolarHBondContact OD1-N 2.72Å; D237-R239 IonicContact OD1-NE 3.73Å; D237-R239 PolarHBondContact OD1-NE 3.4Å; D237-R239 IonicContact OD2-CZ 2.91Å; D237-R239 VanDerWaalsContact OD2-CZ 3.26Å; D237-R239 IonicContact OD2-NE 3.78Å; D237-R239 PolarHBondContact OD2-NE 2.98Å; D237-R239 IonicContact OD2-NH2 2.67Å; D237-R239 PolarHBondContact OD2-NH2 3.17Å; R239-R241 PolarHBondContact O-N 3.22Å; R239-T472 HydrophobicContact CB-CG2 3.86Å; R239-D516 WeakPolarHBondContact CD-O 3.45Å; R239-D516 PolarHBondContact NH1-O 3.2Å; R239-A520 VanDerWaalsContact CA-O 3.3Å; R239-A520 WeakPolarHBondContact CA-O 3.45Å; R239-A520 HydrophobicContact CB-CB 4.13Å; R239-A520 HydrophobicContact CG-CB 3.94Å
240S91.8Very high94Very high20 Ų2047 Ų4714%0.1424%0.239CC..SBendtrans-60.1119.1173.5-71.80000109.5D235 D237 Y242 T243D235-S240 PolarHBondContact OD2-OG 3.27Å; D237-S240 WeakPolarHBondContact O-CB 3.42Å; D237-S240 PolarHBondContact O-N 2.8Å; S240-Y242 PolarHBondContact O-N 2.86Å; S240-Y242 VanDerWaalsContact O-N 3.12Å; S240-T243 VanDerWaalsContact CB-CG2 3.49Å
241R93.5Very high94Very high14 Ų1445.8 Ų45.85%0.05323%0.233CC..SBendtrans-52.9-42.3-173.3-172-171-174.579.9-1.5110.8E79 Y83 R239 T246 M473 S522 Y523E79-R241 IonicContact OE1-CZ 3.2Å; E79-R241 IonicContact OE1-NE 2.78Å; E79-R241 IonicContact OE1-NH2 2.67Å; E79-R241 PolarHBondContact OE1-NH2 2.82Å; E79-R241 IonicContact OE2-CZ 3.38Å; E79-R241 IonicContact OE2-NE 2.6Å; E79-R241 PolarHBondContact OE2-NE 3.35Å; E79-R241 IonicContact OE2-NH2 3.66Å; Y83-R241 HydrophobicContact CE1-CB 4.28Å; Y83-R241 WeakPolarHBondContact OH-CD 3.47Å; R239-R241 PolarHBondContact O-N 3.22Å; R241-T246 WeakPolarHBondContact O-CG2 3.4Å; R241-M473 HydrophobicContact CB-CB 4.03Å; R241-M473 HydrophobicContact CB-CG 4.4Å; R241-M473 WeakPolarHBondContact CB-O 3.27Å; R241-M473 PolarHBondContact N-O 2.9Å; R241-S522 PolarHBondContact O-OG 3.49Å; R241-Y523 HydrophobicContact CG-CE1 4.13Å
242Y95Very high94Very high2 Ų243.4 Ų43.41%0.00822%0.221CC..SBendtrans-139.3118.3-178.9-61.1-40.6000112.8E79 Y83 K86 F87 S240 F247 Y523 L524E79-Y242 HydrophobicContact CB-CE2 4.02Å; E79-Y242 HydrophobicContact CG-CE2 4.34Å; E79-Y242 WeakPolarHBondContact CG-OH 3.32Å; E79-Y242 PolarHBondContact OE1-OH 3.24Å; E79-Y242 WeakPolarHBondContact OE2-CE2 3.21Å; E79-Y242 PolarHBondContact OE2-OH 3.12Å; E79-Y242 VanDerWaalsContact OE2-OH 3.1Å; Y83-Y242 HydrophobicContact CD1-CD2 4.11Å; Y83-Y242 AromaticContact CD2-CD2 3.93Å; Y83-Y242 HydrophobicContact CD2-CD2 3.93Å; Y83-Y242 AromaticContact CD2-CE2 3.65Å; Y83-Y242 HydrophobicContact CD2-CE2 3.65Å; Y83-Y242 HydrophobicContact CE2-CE2 4.18Å; Y83-Y242 AromaticContact CG-CD2 3.63Å; Y83-Y242 HydrophobicContact CG-CD2 3.63Å; Y83-Y242 AromaticContact CG-CE2 3.88Å; Y83-Y242 HydrophobicContact CG-CE2 3.88Å; K86-Y242 WeakPolarHBondContact CD-O 3.38Å; K86-Y242 PolarHBondContact NZ-O 3.47Å; K86-Y242 VanDerWaalsContact NZ-O 3.12Å; F87-Y242 HydrophobicContact CD2-CE1 4.4Å; F87-Y242 HydrophobicContact CD2-CE2 4.31Å; F87-Y242 HydrophobicContact CE2-CE1 4.46Å; S240-Y242 PolarHBondContact O-N 2.86Å; S240-Y242 VanDerWaalsContact O-N 3.12Å; Y242-F247 AromaticContact CD1-CE1 3.74Å; Y242-F247 HydrophobicContact CD1-CE1 3.74Å; Y242-F247 AromaticContact CD1-CE2 3.61Å; Y242-F247 HydrophobicContact CD1-CE2 3.61Å; Y242-F247 AromaticContact CD1-CZ 3.06Å; Y242-F247 HydrophobicContact CD1-CZ 3.06Å; Y242-F247 HydrophobicContact CD2-CZ 4.32Å; Y242-F247 AromaticContact CE1-CE1 3.91Å; Y242-F247 HydrophobicContact CE1-CE1 3.91Å; Y242-F247 HydrophobicContact CE1-CE2 4.5Å; Y242-F247 AromaticContact CE1-CZ 3.55Å; Y242-F247 HydrophobicContact CE1-CZ 3.55Å; Y242-F247 AromaticContact CG-CE2 3.76Å; Y242-F247 HydrophobicContact CG-CE2 3.76Å; Y242-F247 AromaticContact CG-CZ 3.54Å; Y242-F247 HydrophobicContact CG-CZ 3.54Å; Y242-Y523 HydrophobicContact CE1-CE1 4.17Å; Y242-Y523 WeakPolarHBondContact CE1-OH 3.38Å; Y242-Y523 PolarHBondContact OH-OH 2.81Å; Y242-L524 HydrophobicContact CD1-CD1 4.18Å; Y242-L524 HydrophobicContact CE1-CD1 3.97Å
243T95.4Very high94Very high0 Ų038 Ų380%020%0.195CC..  trans-139.4172.9165.576.30000108D235 S240 W245 T246 F247D235-T243 HydrophobicContact CB-CG2 4Å; D235-T243 VanDerWaalsContact O-CB 3.32Å; D235-T243 WeakPolarHBondContact O-CB 3.49Å; D235-T243 WeakPolarHBondContact O-CG2 3.44Å; D235-T243 PolarHBondContact O-OG1 3.11Å; S240-T243 VanDerWaalsContact CB-CG2 3.49Å; T243-W245 PolarHBondContact O-N 2.92Å; T243-W245 PolarHBondContact OG1-N 3.16Å; T243-T246 PolarHBondContact O-N 3.32Å; T243-T246 PolarHBondContact OG1-N 2.89Å; T243-T246 PolarHBondContact OG1-OG1 2.78Å; T243-F247 WeakPolarHBondContact O-CD2 3.43Å; T243-F247 PolarHBondContact O-N 3.4Å
244F96.1Very high94.1Very high37 Ų3736 Ų3616%0.16218%0.184CC..Hα-helixtrans-49.1-47.5171.4173-94.2000111.9W89 D233 F234 T246 F247 V248W89-F244 AromaticContact CD2-CD2 3.71Å; W89-F244 HydrophobicContact CD2-CD2 3.71Å; W89-F244 HydrophobicContact CD2-CE2 4.28Å; W89-F244 AromaticContact CE2-CD2 3.75Å; W89-F244 AromaticContact CE3-CD2 3.76Å; W89-F244 HydrophobicContact CE3-CD2 3.76Å; W89-F244 AromaticContact CE3-CE2 3.84Å; W89-F244 HydrophobicContact CE3-CE2 3.84Å; W89-F244 HydrophobicContact CG-CD2 4.34Å; W89-F244 AromaticContact CH2-CD2 3.97Å; W89-F244 HydrophobicContact CH2-CD2 3.97Å; W89-F244 AromaticContact CH2-CE2 3.93Å; W89-F244 HydrophobicContact CH2-CE2 3.93Å; W89-F244 AromaticContact CZ2-CD2 3.89Å; W89-F244 HydrophobicContact CZ2-CD2 3.89Å; W89-F244 HydrophobicContact CZ2-CE2 4.32Å; W89-F244 AromaticContact CZ3-CD2 3.9Å; W89-F244 HydrophobicContact CZ3-CD2 3.9Å; W89-F244 AromaticContact CZ3-CE2 3.66Å; W89-F244 HydrophobicContact CZ3-CE2 3.66Å; D233-F244 VanDerWaalsContact O-CB 3.27Å; D233-F244 WeakPolarHBondContact O-CB 3.42Å; D233-F244 PolarHBondContact O-N 3.3Å; F234-F244 HydrophobicContact CD1-CB 3.6Å; F234-F244 AromaticContact CD1-CD1 3.65Å; F234-F244 HydrophobicContact CD1-CD1 3.65Å; F234-F244 HydrophobicContact CD1-CD2 4.07Å; F234-F244 HydrophobicContact CD1-CE1 4.31Å; F234-F244 AromaticContact CD1-CG 3.51Å; F234-F244 HydrophobicContact CD1-CG 3.51Å; F234-F244 HydrophobicContact CE1-CB 3.85Å; F234-F244 AromaticContact CE1-CD1 3.79Å; F234-F244 HydrophobicContact CE1-CD1 3.79Å; F234-F244 AromaticContact CE1-CD2 3.47Å; F234-F244 HydrophobicContact CE1-CD2 3.47Å; F234-F244 VanDerWaalsContact CE1-CD2 3.47Å; F234-F244 HydrophobicContact CE1-CE1 4.18Å; F234-F244 AromaticContact CE1-CE2 3.88Å; F234-F244 HydrophobicContact CE1-CE2 3.88Å; F234-F244 AromaticContact CE1-CG 3.42Å; F234-F244 HydrophobicContact CE1-CG 3.42Å; F234-F244 VanDerWaalsContact CE1-CG 3.42Å; F234-F244 HydrophobicContact CE1-CZ 4.21Å; F234-F244 HydrophobicContact CG-CB 4.27Å; F234-F244 HydrophobicContact CZ-CD2 4.24Å; F234-F244 HydrophobicContact CZ-CG 4.45Å; F244-T246 PolarHBondContact O-N 3.31Å; F244-F247 PolarHBondContact O-N 3.49Å; F244-V248 HydrophobicContact CD1-CG2 4.4Å; F244-V248 HydrophobicContact CD2-CG2 4.02Å; F244-V248 HydrophobicContact CE1-CB 4.3Å; F244-V248 HydrophobicContact CE1-CG1 4.39Å; F244-V248 HydrophobicContact CE1-CG2 4.15Å; F244-V248 HydrophobicContact CE2-CG2 3.75Å; F244-V248 HydrophobicContact CG-CG2 4.35Å; F244-V248 HydrophobicContact CZ-CB 4.38Å; F244-V248 HydrophobicContact CZ-CG1 4.36Å; F244-V248 HydrophobicContact CZ-CG2 3.82Å; F244-V248 WeakPolarHBondContact O-CB 3.2Å; F244-V248 WeakPolarHBondContact O-CG2 3.46Å; F244-V248 PolarHBondContact O-N 3.12Å
245W95.7Very high94Very high106 Ų10631.9 Ų31.940%0.40217%0.166SC..Hα-helixtrans-64.7-40.1-177.8-60.6109.2000112.5F234 T243 F247 V248 V249 Y525F234-W245 PolarHBondContact O-NE1 2.99Å; T243-W245 PolarHBondContact O-N 2.92Å; T243-W245 PolarHBondContact OG1-N 3.16Å; W245-F247 VanDerWaalsContact C-N 3.3Å; W245-F247 PolarHBondContact O-N 3.46Å; W245-V248 PolarHBondContact O-N 3.01Å; W245-V249 HydrophobicContact CE3-CG2 4.11Å; W245-V249 WeakPolarHBondContact O-CB 3.49Å; W245-V249 PolarHBondContact O-N 3.16Å; W245-Y525 VanDerWaalsContact C-OH 3.24Å; W245-Y525 PolarHBondContact O-OH 3.25Å
246T95.3Very high94Very high0 Ų029.3 Ų29.30%015%0.153CC..Iπ-helixtrans-62.8-37.2-179.2-51.60000112.3R241 T243 F244 G250 G251 S522 L524 Y525R241-T246 WeakPolarHBondContact O-CG2 3.4Å; T243-T246 PolarHBondContact O-N 3.32Å; T243-T246 PolarHBondContact OG1-N 2.89Å; T243-T246 PolarHBondContact OG1-OG1 2.78Å; F244-T246 PolarHBondContact O-N 3.31Å; T246-G250 CarbonylContact O-C 3.57Å; T246-G250 WeakPolarHBondContact O-CA 3.46Å; T246-G250 PolarHBondContact O-N 2.81Å; T246-G251 PolarHBondContact O-N 2.83Å; T246-S522 WeakPolarHBondContact CG2-OG 3.11Å; T246-L524 HydrophobicContact CG2-CB 3.85Å; T246-L524 HydrophobicContact CG2-CD1 3.97Å; T246-L524 HydrophobicContact CG2-CG 4.44Å; T246-Y525 WeakPolarHBondContact CA-OH 3.37Å; T246-Y525 HydrophobicContact CG2-CD2 4.11Å; T246-Y525 HydrophobicContact CG2-CE2 3.71Å; T246-Y525 PolarHBondContact N-OH 2.84Å; T246-Y525 WeakPolarHBondContact OG1-CE2 3.39Å
247F95.3Very high94.1Very high0 Ų024.8 Ų24.80%012%0.123CC..Iπ-helixtrans-80.7-41174.9-70.3-63.3000113.8K86 F87 W89 M90 Y242 T243 F244 W245 G251 S252 L524K86-F247 HydrophobicContact CB-CE2 4.34Å; K86-F247 WeakPolarHBondContact O-CD2 3.22Å; K86-F247 WeakPolarHBondContact O-CE2 3.47Å; F87-F247 VanDerWaalsContact CA-CZ 3.5Å; F87-F247 HydrophobicContact CB-CZ 4.18Å; F87-F247 HydrophobicContact CD2-CE1 4.03Å; F87-F247 AromaticContact CD2-CZ 3.78Å; F87-F247 HydrophobicContact CD2-CZ 3.78Å; F87-F247 HydrophobicContact CE2-CE1 4.21Å; F87-F247 HydrophobicContact CE2-CZ 4.37Å; F87-F247 HydrophobicContact CG-CE1 4.33Å; F87-F247 HydrophobicContact CG-CZ 4.05Å; W89-F247 HydrophobicContact CB-CB 3.68Å; W89-F247 HydrophobicContact CB-CD2 3.78Å; W89-F247 HydrophobicContact CB-CG 4Å; M90-F247 HydrophobicContact CB-CD1 3.77Å; M90-F247 HydrophobicContact CB-CE1 4.09Å; M90-F247 HydrophobicContact CB-CG 4.49Å; M90-F247 HydrophobicContact CE-CD1 3.71Å; M90-F247 HydrophobicContact CE-CE1 3.73Å; M90-F247 HydrophobicContact CG-CD1 4.33Å; M90-F247 HydrophobicContact SD-CD1 3.7Å; M90-F247 HydrophobicContact SD-CE1 4.27Å; Y242-F247 AromaticContact CD1-CE1 3.74Å; Y242-F247 HydrophobicContact CD1-CE1 3.74Å; Y242-F247 AromaticContact CD1-CE2 3.61Å; Y242-F247 HydrophobicContact CD1-CE2 3.61Å; Y242-F247 AromaticContact CD1-CZ 3.06Å; Y242-F247 HydrophobicContact CD1-CZ 3.06Å; Y242-F247 HydrophobicContact CD2-CZ 4.32Å; Y242-F247 AromaticContact CE1-CE1 3.91Å; Y242-F247 HydrophobicContact CE1-CE1 3.91Å; Y242-F247 HydrophobicContact CE1-CE2 4.5Å; Y242-F247 AromaticContact CE1-CZ 3.55Å; Y242-F247 HydrophobicContact CE1-CZ 3.55Å; Y242-F247 AromaticContact CG-CE2 3.76Å; Y242-F247 HydrophobicContact CG-CE2 3.76Å; Y242-F247 AromaticContact CG-CZ 3.54Å; Y242-F247 HydrophobicContact CG-CZ 3.54Å; T243-F247 WeakPolarHBondContact O-CD2 3.43Å; T243-F247 PolarHBondContact O-N 3.4Å; F244-F247 PolarHBondContact O-N 3.49Å; W245-F247 VanDerWaalsContact C-N 3.3Å; W245-F247 PolarHBondContact O-N 3.46Å; F247-G251 CarbonylContact O-C 3.6Å; F247-G251 WeakPolarHBondContact O-CA 3.43Å; F247-G251 PolarHBondContact O-N 3.32Å; F247-S252 PolarHBondContact O-N 3.35Å; F247-L524 HydrophobicContact CD1-CD1 3.71Å; F247-L524 HydrophobicContact CE1-CD1 3.6Å; F247-L524 HydrophobicContact CZ-CD1 4.44Å
248V94.9Very high94Very high23 Ų2323 Ų2314%0.13911%0.114CC..Iπ-helixtrans-76.7-33.1-175.6172.60000112.4V92 L96 F244 W245 S252V92-V248 HydrophobicContact CB-CG2 4.48Å; V92-V248 HydrophobicContact CG1-CG2 4.18Å; L96-V248 HydrophobicContact CD1-CG1 3.88Å; F244-V248 HydrophobicContact CD1-CG2 4.4Å; F244-V248 HydrophobicContact CD2-CG2 4.02Å; F244-V248 HydrophobicContact CE1-CB 4.3Å; F244-V248 HydrophobicContact CE1-CG1 4.39Å; F244-V248 HydrophobicContact CE1-CG2 4.15Å; F244-V248 HydrophobicContact CE2-CG2 3.75Å; F244-V248 HydrophobicContact CG-CG2 4.35Å; F244-V248 HydrophobicContact CZ-CB 4.38Å; F244-V248 HydrophobicContact CZ-CG1 4.36Å; F244-V248 HydrophobicContact CZ-CG2 3.82Å; F244-V248 WeakPolarHBondContact O-CB 3.2Å; F244-V248 WeakPolarHBondContact O-CG2 3.46Å; F244-V248 PolarHBondContact O-N 3.12Å; W245-V248 PolarHBondContact O-N 3.01Å; V248-S252 WeakPolarHBondContact O-CB 3.24Å; V248-S252 PolarHBondContact O-OG 2.65Å
249V94.1Very high94Very high65 Ų6520.3 Ų20.339%0.39410%0.096SC..Iπ-helixtrans-97.8-60.6178.3-177.60000110.8W245 L253 Y525W245-V249 HydrophobicContact CE3-CG2 4.11Å; W245-V249 WeakPolarHBondContact O-CB 3.49Å; W245-V249 PolarHBondContact O-N 3.16Å; V249-L253 PolarHBondContact O-N 3.15Å; V249-Y525 HydrophobicContact CB-CE1 4.19Å; V249-Y525 HydrophobicContact CG1-CE1 4.26Å
250G93.8Very high94.1Very high0 Ų016 Ų160%08%0.08CC..Iπ-helixtrans-63.3-54.7-179.400000111.8T246 S252 L253 V254 L524T246-G250 CarbonylContact O-C 3.57Å; T246-G250 WeakPolarHBondContact O-CA 3.46Å; T246-G250 PolarHBondContact O-N 2.81Å; G250-S252 PolarHBondContact O-N 2.88Å; G250-L253 PolarHBondContact O-N 3.37Å; G250-V254 WeakPolarHBondContact O-CG2 3.25Å; G250-V254 PolarHBondContact O-N 2.9Å; G250-L524 CarbonylContact C-O 3.57Å; G250-L524 VanDerWaalsContact C-O 3.31Å; G250-L524 VanDerWaalsContact CA-O 3.29Å; G250-L524 WeakPolarHBondContact CA-O 3.45Å
251G92.4Very high94.2Very high0 Ų015.1 Ų15.10%07%0.074CC..Iπ-helixtrans-54.6-48.2176.700000113.1T246 F247 L253 V254 W255T246-G251 PolarHBondContact O-N 2.83Å; F247-G251 CarbonylContact O-C 3.6Å; F247-G251 WeakPolarHBondContact O-CA 3.43Å; F247-G251 PolarHBondContact O-N 3.32Å; G251-L253 VanDerWaalsContact C-N 3.34Å; G251-L253 PolarHBondContact O-N 3.09Å; G251-V254 PolarHBondContact O-N 3.47Å; G251-W255 WeakPolarHBondContact O-CB 3.17Å; G251-W255 PolarHBondContact O-N 3.22Å
252S94.4Very high94.2Very high11 Ų1114.9 Ų14.98%0.0777%0.074CC..Hα-helixtrans-55-45177-68.90000113.2G93 F247 V248 G250 L256G93-S252 VanDerWaalsContact CA-OG 3.29Å; G93-S252 WeakPolarHBondContact CA-OG 3.33Å; G93-S252 PolarHBondContact O-OG 2.89Å; F247-S252 PolarHBondContact O-N 3.35Å; V248-S252 WeakPolarHBondContact O-CB 3.24Å; V248-S252 PolarHBondContact O-OG 2.65Å; G250-S252 PolarHBondContact O-N 2.88Å; S252-L256 WeakPolarHBondContact O-CB 3.17Å; S252-L256 PolarHBondContact O-N 3.45Å
253L94.2Very high94.2Very high41 Ų4114.9 Ų14.922%0.2157%0.073CC..Hα-helixtrans-72.4-37.6-178.6-75.2167.5000112.4V249 G250 G251 L256 S257 L428 A528V249-L253 PolarHBondContact O-N 3.15Å; G250-L253 PolarHBondContact O-N 3.37Å; G251-L253 VanDerWaalsContact C-N 3.34Å; G251-L253 PolarHBondContact O-N 3.09Å; L253-L256 PolarHBondContact O-N 3.43Å; L253-S257 PolarHBondContact O-N 3.35Å; L253-L428 HydrophobicContact CD2-CD2 4.19Å; L253-L428 WeakPolarHBondContact O-CD2 3.41Å; L253-A528 HydrophobicContact CB-CB 4.2Å; L253-A528 HydrophobicContact CD1-CB 3.49Å; L253-A528 VanDerWaalsContact CD1-CB 3.49Å; L253-A528 HydrophobicContact CG-CB 4.49Å
254V92.3Very high94Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-60.5-51.7171.5173.40000110.1G250 G251 L256 S257 M258 F417 L524G250-V254 WeakPolarHBondContact O-CG2 3.25Å; G250-V254 PolarHBondContact O-N 2.9Å; G251-V254 PolarHBondContact O-N 3.47Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 3.02Å; V254-S257 WeakPolarHBondContact O-CB 3.37Å; V254-S257 PolarHBondContact O-N 2.95Å; V254-S257 VanDerWaalsContact O-N 3.14Å; V254-S257 PolarHBondContact O-OG 3.05Å; V254-M258 HydrophobicContact CG1-SD 4Å; V254-M258 WeakPolarHBondContact O-CG 3.4Å; V254-M258 PolarHBondContact O-N 2.8Å; V254-F417 HydrophobicContact CG1-CD1 3.86Å; V254-F417 HydrophobicContact CG1-CE1 4.39Å; V254-L524 VanDerWaalsContact CG2-O 3.29Å; V254-L524 WeakPolarHBondContact CG2-O 3.4Å
255W93Very high93.8Very high1 Ų113.3 Ų13.30%0.0047%0.068CC..Hα-helixtrans-65-32.4178.1-72.4113.1000113.3F67 M90 Q94 N97 G251 S257 M258 Y259 F417F67-W255 HydrophobicContact CB-CH2 4.28Å; F67-W255 HydrophobicContact CB-CZ3 3.89Å; F67-W255 HydrophobicContact CD2-CZ3 4.37Å; F67-W255 HydrophobicContact CG-CZ3 4.37Å; M90-W255 PolarHBondContact SD-NE1 2.86Å; Q94-W255 HydrophobicContact CG-CD2 3.82Å; Q94-W255 HydrophobicContact CG-CG 3.83Å; Q94-W255 HydrophobicContact CG-CZ2 4.25Å; N97-W255 HydrophobicContact CB-CB 3.76Å; N97-W255 VanDerWaalsContact CG-C 3.48Å; N97-W255 PolarHBondContact OD1-O 3.43Å; N97-W255 VanDerWaalsContact OD1-O 3.11Å; G251-W255 WeakPolarHBondContact O-CB 3.17Å; G251-W255 PolarHBondContact O-N 3.22Å; W255-S257 VanDerWaalsContact C-N 3.31Å; W255-S257 PolarHBondContact O-N 3.35Å; W255-M258 HydrophobicContact CD2-SD 4.17Å; W255-M258 HydrophobicContact CE3-CB 4.25Å; W255-M258 HydrophobicContact CE3-CE 3.7Å; W255-M258 HydrophobicContact CE3-SD 3.67Å; W255-M258 HydrophobicContact CH2-CE 4.02Å; W255-M258 HydrophobicContact CZ3-CE 3.36Å; W255-M258 HydrophobicContact CZ3-SD 3.95Å; W255-M258 CarbonylContact O-C 3.59Å; W255-M258 WeakPolarHBondContact O-CA 3.45Å; W255-M258 WeakPolarHBondContact O-CB 3.33Å; W255-M258 PolarHBondContact O-N 2.99Å; W255-Y259 HydrophobicContact CE3-CD2 4.03Å; W255-Y259 AromaticContact CE3-CE2 3.6Å; W255-Y259 HydrophobicContact CE3-CE2 3.6Å; W255-Y259 AromaticContact CZ3-CE2 3.88Å; W255-Y259 HydrophobicContact CZ3-CE2 3.88Å; W255-Y259 PolarHBondContact O-N 3.25Å; W255-F417 HydrophobicContact CH2-CE1 4.34Å; W255-F417 HydrophobicContact CH2-CZ 4.42Å; W255-F417 AromaticContact CZ2-CE1 3.76Å; W255-F417 HydrophobicContact CZ2-CE1 3.76Å; W255-F417 AromaticContact CZ2-CZ 3.73Å; W255-F417 HydrophobicContact CZ2-CZ 3.73Å
256L95.3Very high93.8Very high12 Ų128.5 Ų8.56%0.0635%0.05CC..Hα-helixtrans-66.7-32.2174.5-169.362000112.4N97 L100 F105 S252 L253 V254 M258 G260 L428N97-L256 HydrophobicContact CB-CB 4.49Å; N97-L256 WeakPolarHBondContact OD1-CA 3.31Å; N97-L256 PolarHBondContact OD1-N 3.34Å; L100-L256 HydrophobicContact CB-CD1 3.77Å; L100-L256 HydrophobicContact CB-CD2 4.35Å; L100-L256 HydrophobicContact CD1-CD2 4.04Å; F105-L256 HydrophobicContact CD2-CD1 4.05Å; F105-L256 HydrophobicContact CE2-CD1 3.8Å; F105-L256 HydrophobicContact CE2-CD2 4.09Å; F105-L256 HydrophobicContact CE2-CG 4.09Å; S252-L256 WeakPolarHBondContact O-CB 3.17Å; S252-L256 PolarHBondContact O-N 3.45Å; L253-L256 PolarHBondContact O-N 3.43Å; V254-L256 VanDerWaalsContact C-N 3.32Å; V254-L256 PolarHBondContact O-N 3.02Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 2.93Å; L256-G260 WeakPolarHBondContact O-CA 3.44Å; L256-G260 PolarHBondContact O-N 3.12Å; L256-L428 HydrophobicContact CB-CD2 4Å; L256-L428 HydrophobicContact CD2-CD1 4.21Å; L256-L428 HydrophobicContact CD2-CD2 4.2Å; L256-L428 HydrophobicContact CG-CD1 3.89Å; L256-L428 HydrophobicContact CG-CD2 4.1Å
257S93.9Very high93.6Very high1 Ų18.7 Ų8.71%0.0075%0.051CC..Iπ-helixtrans-66.4-33.1169.479.90000111.9L253 V254 W255 V261 N262 S424L253-S257 PolarHBondContact O-N 3.35Å; V254-S257 WeakPolarHBondContact O-CB 3.37Å; V254-S257 PolarHBondContact O-N 2.95Å; V254-S257 VanDerWaalsContact O-N 3.14Å; V254-S257 PolarHBondContact O-OG 3.05Å; W255-S257 VanDerWaalsContact C-N 3.31Å; W255-S257 PolarHBondContact O-N 3.35Å; S257-V261 WeakPolarHBondContact O-CG2 3.41Å; S257-N262 WeakPolarHBondContact O-CB 3.35Å; S257-N262 PolarHBondContact O-N 3.1Å; S257-S424 WeakPolarHBondContact CB-O 3.43Å; S257-S424 WeakPolarHBondContact OG-CB 3.25Å
258M91.7Very high93.4Very high2 Ų28.8 Ų8.81%0.015%0.051CC..Iπ-helixtrans-80.7-32.2-176.9-64173.365.200114F67 V254 W255 L256 N262 Q265 M420F67-M258 HydrophobicContact CB-CE 3.93Å; F67-M258 HydrophobicContact CD1-CE 3.46Å; F67-M258 VanDerWaalsContact CD1-CE 3.46Å; F67-M258 HydrophobicContact CD2-CB 4.21Å; F67-M258 HydrophobicContact CD2-CE 3.53Å; F67-M258 HydrophobicContact CE1-CE 3.76Å; F67-M258 HydrophobicContact CE2-CB 3.7Å; F67-M258 HydrophobicContact CE2-CE 3.79Å; F67-M258 HydrophobicContact CE2-CG 4.39Å; F67-M258 WeakPolarHBondContact CE2-O 3.4Å; F67-M258 HydrophobicContact CG-CE 3.37Å; F67-M258 HydrophobicContact CZ-CB 4.21Å; F67-M258 HydrophobicContact CZ-CE 3.92Å; F67-M258 HydrophobicContact CZ-CG 4.5Å; V254-M258 HydrophobicContact CG1-SD 4Å; V254-M258 WeakPolarHBondContact O-CG 3.4Å; V254-M258 PolarHBondContact O-N 2.8Å; W255-M258 HydrophobicContact CD2-SD 4.17Å; W255-M258 HydrophobicContact CE3-CB 4.25Å; W255-M258 HydrophobicContact CE3-CE 3.7Å; W255-M258 HydrophobicContact CE3-SD 3.67Å; W255-M258 HydrophobicContact CH2-CE 4.02Å; W255-M258 HydrophobicContact CZ3-CE 3.36Å; W255-M258 HydrophobicContact CZ3-SD 3.95Å; W255-M258 CarbonylContact O-C 3.59Å; W255-M258 WeakPolarHBondContact O-CA 3.45Å; W255-M258 WeakPolarHBondContact O-CB 3.33Å; W255-M258 PolarHBondContact O-N 2.99Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 2.93Å; M258-N262 VanDerWaalsContact O-CB 3.27Å; M258-N262 WeakPolarHBondContact O-CB 3.37Å; M258-Q265 WeakPolarHBondContact O-CG 3.43Å; M258-M420 HydrophobicContact CE-CE 3.76Å; M258-M420 HydrophobicContact CE-SD 3.44Å; M258-M420 WeakPolarHBondContact CE-SD 3.14Å; M258-M420 HydrophobicContact CG-CE 3.63Å; M258-M420 HydrophobicContact CG-SD 4.22Å; M258-M420 HydrophobicContact SD-CE 4.05Å; M258-M420 HydrophobicContact SD-SD 3.82Å
259Y93.4Very high93.3Very high0 Ų07.7 Ų7.70%04%0.044CC..Iπ-helixtrans-108.6-34.3179.9-78.8-89.2000113.6L63 F67 N97 T101 W255 Q265 Y269 L282 N285 L289L63-Y259 HydrophobicContact CB-CE1 4.32Å; L63-Y259 PolarHBondContact O-OH 2.77Å; F67-Y259 HydrophobicContact CD2-CE2 4.18Å; N97-Y259 WeakPolarHBondContact ND2-CD2 3.22Å; N97-Y259 WeakPolarHBondContact OD1-CB 3.41Å; T101-Y259 WeakPolarHBondContact CG2-O 3.26Å; W255-Y259 HydrophobicContact CE3-CD2 4.03Å; W255-Y259 AromaticContact CE3-CE2 3.6Å; W255-Y259 HydrophobicContact CE3-CE2 3.6Å; W255-Y259 AromaticContact CZ3-CE2 3.88Å; W255-Y259 HydrophobicContact CZ3-CE2 3.88Å; W255-Y259 PolarHBondContact O-N 3.25Å; Y259-Q265 HydrophobicContact CD1-CB 4.16Å; Y259-Q265 HydrophobicContact CD1-CG 4.1Å; Y259-Q265 HydrophobicContact CE1-CG 4.18Å; Y259-Q265 HydrophobicContact CG-CG 4.49Å; Y259-Y269 WeakPolarHBondContact O-CE1 3.43Å; Y259-L282 HydrophobicContact CD1-CD2 4.12Å; Y259-N285 VanDerWaalsContact CE1-ND2 3.34Å; Y259-N285 WeakPolarHBondContact CE1-ND2 3.46Å; Y259-N285 PolarHBondContact OH-OD1 2.92Å; Y259-N285 VanDerWaalsContact OH-OD1 3.04Å; Y259-L289 HydrophobicContact CE2-CD1 4.39Å
260G94.2Very high93.2Very high0 Ų05 Ų50%03%0.028CC..Iπ-helixtrans-67.4-47.3-178.500000112.6T101 F105 F109 L256T101-G260 PolarHBondContact OG1-N 2.76Å; F105-G260 WeakPolarHBondContact CB-O 3.16Å; F109-G260 VanDerWaalsContact CE2-O 3.29Å; F109-G260 WeakPolarHBondContact CE2-O 3.34Å; L256-G260 WeakPolarHBondContact O-CA 3.44Å; L256-G260 PolarHBondContact O-N 3.12Å
261V94.7Very high93Very high2 Ų25 Ų51%0.0123%0.028CC..Iπ-helixtrans-130-16.1-165.3-59.30000115.6F105 T117 S257 Q263 L428 F431F105-V261 HydrophobicContact CD1-CG1 3.63Å; F105-V261 HydrophobicContact CE1-CG1 3.59Å; T117-V261 PolarHBondContact OG1-O 3.38Å; S257-V261 WeakPolarHBondContact O-CG2 3.41Å; V261-Q263 PolarHBondContact O-N 2.72Å; V261-L428 HydrophobicContact CG1-CD1 4.11Å; V261-L428 HydrophobicContact CG2-CB 4.3Å; V261-L428 HydrophobicContact CG2-CD1 4.4Å; V261-F431 HydrophobicContact CB-CB 4.48Å; V261-F431 HydrophobicContact CB-CD2 3.56Å; V261-F431 HydrophobicContact CB-CE2 3.88Å; V261-F431 HydrophobicContact CB-CG 4.03Å; V261-F431 HydrophobicContact CG1-CB 3.55Å; V261-F431 HydrophobicContact CG1-CD1 4.26Å; V261-F431 HydrophobicContact CG1-CD2 3.6Å; V261-F431 HydrophobicContact CG1-CE2 4.34Å; V261-F431 HydrophobicContact CG1-CG 3.55Å; V261-F431 HydrophobicContact CG2-CD2 4.15Å
262N93.2Very high92.9Very high10 Ų105 Ų55%0.0533%0.028CC..  trans-69123.2179.3-172.5-53.4000110.7Y137 S257 M258 A264 Q265 V266Y137-N262 WeakPolarHBondContact CE2-OD1 3.28Å; S257-N262 WeakPolarHBondContact O-CB 3.35Å; S257-N262 PolarHBondContact O-N 3.1Å; M258-N262 VanDerWaalsContact O-CB 3.27Å; M258-N262 WeakPolarHBondContact O-CB 3.37Å; N262-A264 PolarHBondContact O-N 3.04Å; N262-A264 VanDerWaalsContact O-N 3.08Å; N262-A264 VanDerWaalsContact OD1-CB 3.28Å; N262-A264 WeakPolarHBondContact OD1-CB 3.29Å; N262-A264 PolarHBondContact OD1-N 3.11Å; N262-Q265 PolarHBondContact O-N 3.42Å; N262-Q265 VanDerWaalsContact O-N 3.16Å; N262-V266 WeakPolarHBondContact O-CG2 3.41Å; N262-V266 PolarHBondContact O-N 3.19Å; N262-V266 VanDerWaalsContact O-N 3.14Å
263Q94Very high92.7Very high1 Ų19.7 Ų9.71%0.0055%0.048CC..Hα-helixtrans-43.9-46.6179.9176.471.511.900113.4T115 Y118 Y137 V261 Q265 V266 Q267 A361 V365T115-Q263 PolarHBondContact O-NE2 3.06Å; Y118-Q263 HydrophobicContact CE2-CB 4.37Å; Y137-Q263 HydrophobicContact CE1-CB 4.1Å; Y137-Q263 HydrophobicContact CE2-CB 3.92Å; V261-Q263 PolarHBondContact O-N 2.72Å; Q263-Q265 VanDerWaalsContact C-N 3.28Å; Q263-Q265 PolarHBondContact O-N 3.38Å; Q263-V266 PolarHBondContact O-N 3.4Å; Q263-Q267 WeakPolarHBondContact O-CB 3.36Å; Q263-Q267 PolarHBondContact O-N 2.93Å; Q263-A361 HydrophobicContact CG-CB 3.91Å; Q263-V365 HydrophobicContact CB-CG2 3.99Å; Q263-V365 HydrophobicContact CG-CG2 3.55Å
264A92.1Very high92.7Very high4 Ų410.2 Ų10.23%0.0335%0.053CC..Hα-helixtrans-53.2-45.2-17400000112.5N262 R268 T357 A361N262-A264 PolarHBondContact O-N 3.04Å; N262-A264 VanDerWaalsContact O-N 3.08Å; N262-A264 VanDerWaalsContact OD1-CB 3.28Å; N262-A264 WeakPolarHBondContact OD1-CB 3.29Å; N262-A264 PolarHBondContact OD1-N 3.11Å; A264-R268 WeakPolarHBondContact O-CD 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.47Å; A264-T357 HydrophobicContact CB-CG2 3.78Å; A264-A361 HydrophobicContact CB-CB 4.15Å
265Q92.7Very high92.7Very high1 Ų111.9 Ų11.91%0.0056%0.061CC..Hα-helixtrans-83.7-39.3-179-56.3-57.4-17.200111.7L63 F67 M258 Y259 N262 Q263 Q267 R268 Y269L63-Q265 HydrophobicContact CD2-CB 4.16Å; F67-Q265 HydrophobicContact CD2-CG 4.02Å; F67-Q265 HydrophobicContact CE2-CG 3.44Å; F67-Q265 VanDerWaalsContact CE2-CG 3.44Å; F67-Q265 HydrophobicContact CZ-CG 4.34Å; M258-Q265 WeakPolarHBondContact O-CG 3.43Å; Y259-Q265 HydrophobicContact CD1-CB 4.16Å; Y259-Q265 HydrophobicContact CD1-CG 4.1Å; Y259-Q265 HydrophobicContact CE1-CG 4.18Å; Y259-Q265 HydrophobicContact CG-CG 4.49Å; N262-Q265 PolarHBondContact O-N 3.42Å; N262-Q265 VanDerWaalsContact O-N 3.16Å; Q263-Q265 VanDerWaalsContact C-N 3.28Å; Q263-Q265 PolarHBondContact O-N 3.38Å; Q265-Q267 PolarHBondContact O-N 2.97Å; Q265-R268 WeakPolarHBondContact O-CB 3.17Å; Q265-R268 PolarHBondContact O-N 3.16Å; Q265-Y269 WeakPolarHBondContact O-CD1 3.47Å; Q265-Y269 PolarHBondContact O-N 3.4Å
266V94.1Very high92.9Very high5 Ų522.3 Ų22.33%0.0310%0.101CC..Hα-helixtrans-59.8-48.2178.1-176.30000111.2F109 T117 N262 Q263 R268 Y269 V270F109-V266 HydrophobicContact CB-CG1 3.59Å; F109-V266 HydrophobicContact CD1-CG1 4.3Å; F109-V266 HydrophobicContact CD2-CG1 3.83Å; F109-V266 HydrophobicContact CD2-CG2 4.21Å; F109-V266 HydrophobicContact CE2-CG2 4.31Å; F109-V266 HydrophobicContact CG-CG1 3.66Å; T117-V266 HydrophobicContact CG2-CB 3.53Å; T117-V266 HydrophobicContact CG2-CG1 3.64Å; T117-V266 HydrophobicContact CG2-CG2 3.57Å; N262-V266 WeakPolarHBondContact O-CG2 3.41Å; N262-V266 PolarHBondContact O-N 3.19Å; N262-V266 VanDerWaalsContact O-N 3.14Å; Q263-V266 PolarHBondContact O-N 3.4Å; V266-R268 PolarHBondContact O-N 2.83Å; V266-Y269 HydrophobicContact CB-CE1 4.32Å; V266-Y269 HydrophobicContact CB-CE2 4.35Å; V266-Y269 HydrophobicContact CG1-CE2 3.82Å; V266-Y269 HydrophobicContact CG2-CE1 4.14Å; V266-Y269 VanDerWaalsContact CG2-OH 3.29Å; V266-Y269 WeakPolarHBondContact CG2-OH 3.5Å; V266-Y269 PolarHBondContact O-N 3.01Å; V266-V270 HydrophobicContact CG1-CG1 4.06Å; V266-V270 WeakPolarHBondContact O-CG1 3.38Å; V266-V270 WeakPolarHBondContact O-CG2 3.48Å; V266-V270 PolarHBondContact O-N 2.94Å
267Q91.6Very high92.9Very high4 Ų425.8 Ų25.82%0.01912%0.115CC..Hα-helixtrans-56.4-25.5-179.5-166-179.2-3300113F48 M184 Q263 Q265 N360F48-Q267 PolarHBondContact O-NE2 3.38Å; M184-Q267 HydrophobicContact CE-CB 4.21Å; M184-Q267 HydrophobicContact CE-CG 3.7Å; Q263-Q267 WeakPolarHBondContact O-CB 3.36Å; Q263-Q267 PolarHBondContact O-N 2.93Å; Q265-Q267 PolarHBondContact O-N 2.97Å; Q267-N360 PolarHBondContact NE2-ND2 3.01Å
268R91.6Very high93Very high1 Ų125.8 Ų25.80%0.00412%0.115CC..Hα-helixtrans-86-47.6179.7-70.8167.3163.1-143.6-21.9113.3V59 S62 L63 S66 M184 D191 A264 Q265 V266 V270 A271 T357V59-R268 HydrophobicContact CG1-CB 4.26Å; V59-R268 WeakPolarHBondContact CG1-O 3.24Å; S62-R268 PolarHBondContact O-NH1 2.89Å; S62-R268 PolarHBondContact OG-NH1 3.07Å; S62-R268 VanDerWaalsContact OG-NH1 3.14Å; S62-R268 PolarHBondContact OG-NH2 3.1Å; L63-R268 HydrophobicContact CD2-CB 3.69Å; L63-R268 HydrophobicContact CG-CB 4.47Å; S66-R268 VanDerWaalsContact CB-NH1 3.32Å; S66-R268 PolarHBondContact OG-NH1 3.21Å; S66-R268 PolarHBondContact OG-NH2 3.46Å; M184-R268 HydrophobicContact CE-CG 3.9Å; M184-R268 HydrophobicContact SD-CG 3.86Å; D191-R268 IonicContact OD2-CZ 3.58Å; D191-R268 IonicContact OD2-NH1 3.55Å; D191-R268 IonicContact OD2-NH2 3.6Å; D191-R268 PolarHBondContact OD2-NH2 2.81Å; A264-R268 WeakPolarHBondContact O-CD 3.3Å; A264-R268 WeakPolarHBondContact O-CG 3.47Å; Q265-R268 WeakPolarHBondContact O-CB 3.17Å; Q265-R268 PolarHBondContact O-N 3.16Å; V266-R268 PolarHBondContact O-N 2.83Å; R268-V270 VanDerWaalsContact C-N 3.29Å; R268-V270 PolarHBondContact O-N 3.02Å; R268-A271 VanDerWaalsContact O-CB 3.29Å; R268-A271 WeakPolarHBondContact O-CB 3.4Å; R268-A271 PolarHBondContact O-N 2.94Å; R268-T357 PolarHBondContact NH2-OG1 3.19Å
269Y92.6Very high93.2Very high0 Ų029 Ų290%013%0.129CC..Hα-helixtrans-71.6-26.1178.562.8-119000112.2T101 L106 Y259 Q265 V266 A271 C272 A278 L282T101-Y269 HydrophobicContact CG2-CE1 4.02Å; L106-Y269 HydrophobicContact CB-CD2 4.29Å; L106-Y269 HydrophobicContact CB-CE2 3.75Å; L106-Y269 HydrophobicContact CD1-CD2 3.67Å; L106-Y269 HydrophobicContact CD1-CE2 3.99Å; L106-Y269 HydrophobicContact CD1-CG 3.97Å; L106-Y269 HydrophobicContact CG-CD2 3.67Å; L106-Y269 HydrophobicContact CG-CE2 3.61Å; L106-Y269 HydrophobicContact CG-CG 4.46Å; Y259-Y269 WeakPolarHBondContact O-CE1 3.43Å; Q265-Y269 WeakPolarHBondContact O-CD1 3.47Å; Q265-Y269 PolarHBondContact O-N 3.4Å; V266-Y269 HydrophobicContact CB-CE1 4.32Å; V266-Y269 HydrophobicContact CB-CE2 4.35Å; V266-Y269 HydrophobicContact CG1-CE2 3.82Å; V266-Y269 HydrophobicContact CG2-CE1 4.14Å; V266-Y269 VanDerWaalsContact CG2-OH 3.29Å; V266-Y269 WeakPolarHBondContact CG2-OH 3.5Å; V266-Y269 PolarHBondContact O-N 3.01Å; Y269-A271 VanDerWaalsContact C-N 3.26Å; Y269-A271 PolarHBondContact O-N 3.44Å; Y269-C272 WeakPolarHBondContact O-CB 3.42Å; Y269-C272 PolarHBondContact O-N 3.46Å; Y269-A278 WeakPolarHBondContact O-CB 3.26Å; Y269-L282 HydrophobicContact CD1-CD2 4.15Å
270V91.3Very high93.4Very high8 Ų833 Ų335%0.04815%0.15CC..THydrogen-bonded Turntrans-77-8.4168.9-520000113.7F109 Y110 V266 R268 C272F109-V270 HydrophobicContact CB-CG1 4.25Å; Y110-V270 HydrophobicContact CD2-CB 4.43Å; Y110-V270 HydrophobicContact CD2-CG1 4.37Å; V266-V270 HydrophobicContact CG1-CG1 4.06Å; V266-V270 WeakPolarHBondContact O-CG1 3.38Å; V266-V270 WeakPolarHBondContact O-CG2 3.48Å; V266-V270 PolarHBondContact O-N 2.94Å; R268-V270 VanDerWaalsContact C-N 3.29Å; R268-V270 PolarHBondContact O-N 3.02Å; V270-C272 VanDerWaalsContact C-N 3.3Å
271A89.4Confident93.5Very high0 Ų033 Ų330%015%0.15CC..THydrogen-bonded Turntrans-81.9-6.4169.400000113.3T49 R52 Q53 L54 R268 Y269T49-A271 WeakPolarHBondContact O-CB 3.5Å; R52-A271 CarbonylContact C-O 3.37Å; R52-A271 VanDerWaalsContact CA-O 3.29Å; R52-A271 WeakPolarHBondContact CA-O 3.45Å; Q53-A271 PolarHBondContact N-O 3.21Å; L54-A271 WeakPolarHBondContact CB-O 3.21Å; L54-A271 HydrophobicContact CD1-CB 3.84Å; L54-A271 HydrophobicContact CG-CB 4.39Å; L54-A271 PolarHBondContact N-O 2.9Å; R268-A271 VanDerWaalsContact O-CB 3.29Å; R268-A271 WeakPolarHBondContact O-CB 3.4Å; R268-A271 PolarHBondContact O-N 2.94Å; Y269-A271 VanDerWaalsContact C-N 3.26Å; Y269-A271 PolarHBondContact O-N 3.44Å
272C92.2Very high93.6Very high0 Ų033 Ų330%015%0.15CC..BIsolated β-bridgetrans-70.4148.8168.1-78.50000111.5R52 Y110 Y269 V270 T274 K277 A278R52-C272 CarbonylContact O-C 3.58Å; Y110-C272 WeakPolarHBondContact CE2-O 3.21Å; Y110-C272 PolarHBondContact OH-O 3.47Å; Y269-C272 WeakPolarHBondContact O-CB 3.42Å; Y269-C272 PolarHBondContact O-N 3.46Å; V270-C272 VanDerWaalsContact C-N 3.3Å; C272-T274 PolarHBondContact O-N 3.11Å; C272-K277 HydrophobicContact CB-CB 4.04Å; C272-A278 HydrophobicContact CB-CB 4.06Å
273H89.8Confident93.7Very high110 Ų11037.9 Ų37.951%0.50918%0.176SC..SBendtrans-68.2-24.4-178.5-176.3-56.3000115.3R52 L54 Y110 K277R52-H273 WeakPolarHBondContact O-CA 3.39Å; R52-H273 PolarHBondContact O-N 3.01Å; L54-H273 PolarHBondContact O-N 2.65Å; Y110-H273 PolarHBondContact OH-O 2.9Å; Y110-H273 VanDerWaalsContact OH-O 3.07Å; H273-K277 HydrophobicContact CB-CD 4.14Å
274T93.6Very high93.8Very high52 Ų5239.2 Ų39.232%0.31918%0.183SC..SBendtrans-140.6153.5176.966.60000111.2Y110 C272 R276 K277 A278Y110-T274 VanDerWaalsContact CZ-C 3.45Å; Y110-T274 WeakPolarHBondContact OH-CA 3.4Å; Y110-T274 PolarHBondContact OH-N 3.01Å; Y110-T274 VanDerWaalsContact OH-N 3.14Å; C272-T274 PolarHBondContact O-N 3.11Å; T274-R276 PolarHBondContact O-N 3.28Å; T274-K277 CarbonylContact O-C 3.56Å; T274-K277 WeakPolarHBondContact O-CA 3.35Å; T274-K277 WeakPolarHBondContact O-CB 3.49Å; T274-K277 PolarHBondContact O-N 3.28Å; T274-K277 WeakPolarHBondContact OG1-CG 3.03Å; T274-K277 PolarHBondContact OG1-N 3.42Å; T274-K277 VanDerWaalsContact OG1-N 3.11Å; T274-A278 PolarHBondContact O-N 3.19Å
275E93.6Very high94Very high36 Ų3639 Ų3917%0.16818%0.182CC..Hα-helixtrans-54-37173.4-163.8-163.8126.800111.1L106 Y110 R111 A278 K279L106-E275 HydrophobicContact CD2-CG 3.71Å; Y110-E275 HydrophobicContact CD1-CB 3.93Å; Y110-E275 HydrophobicContact CD1-CG 4.3Å; Y110-E275 HydrophobicContact CE1-CB 4.15Å; Y110-E275 HydrophobicContact CG-CB 4.22Å; Y110-E275 HydrophobicContact CG-CG 4.25Å; R111-E275 IonicContact CZ-OE2 3.95Å; R111-E275 VanDerWaalsContact CZ-OE2 3.28Å; R111-E275 IonicContact NE-OE2 3.45Å; R111-E275 PolarHBondContact NE-OE2 3.25Å; R111-E275 IonicContact NH2-OE1 2.95Å; R111-E275 IonicContact NH2-OE2 2.84Å; R111-E275 PolarHBondContact NH2-OE2 2.93Å; E275-A278 WeakPolarHBondContact O-CB 3.37Å; E275-A278 PolarHBondContact O-N 3.22Å; E275-K279 WeakPolarHBondContact O-CG 3.4Å; E275-K279 PolarHBondContact O-N 3.12Å; E275-K279 WeakPolarHBondContact OE1-CE 3.33Å; E275-K279 IonicContact OE1-NZ 3Å; E275-K279 PolarHBondContact OE1-NZ 2.86Å
276R95.3Very high94.1Very high220 Ų22039.6 Ų39.683%0.8319%0.185SC*.Hα-helixtrans-65.7-39.2175.3-165.1176.6-175.9178.52112.5T274 L280T274-R276 PolarHBondContact O-N 3.28Å; R276-L280 WeakPolarHBondContact O-CB 3.28Å; R276-L280 PolarHBondContact O-N 3.44Å
277K96.3Very high94.1Very high85 Ų8544.5 Ų44.537%0.3721%0.21SC..Hα-helixtrans-68.8-35.2172.4-76.7173.4177.4177.50111.8A56 C272 H273 T274 L280 A281A56-K277 HydrophobicContact CB-CB 4.25Å; A56-K277 VanDerWaalsContact CB-O 3.27Å; A56-K277 WeakPolarHBondContact CB-O 3.48Å; C272-K277 HydrophobicContact CB-CB 4.04Å; H273-K277 HydrophobicContact CB-CD 4.14Å; T274-K277 CarbonylContact O-C 3.56Å; T274-K277 WeakPolarHBondContact O-CA 3.35Å; T274-K277 WeakPolarHBondContact O-CB 3.49Å; T274-K277 PolarHBondContact O-N 3.28Å; T274-K277 WeakPolarHBondContact OG1-CG 3.03Å; T274-K277 PolarHBondContact OG1-N 3.42Å; T274-K277 VanDerWaalsContact OG1-N 3.11Å; K277-L280 PolarHBondContact O-N 2.81Å; K277-A281 WeakPolarHBondContact O-CB 3.43Å; K277-A281 PolarHBondContact O-N 3.48Å
278A95.7Very high94.2Very high0 Ų044.5 Ų44.50%021%0.211CC..Hα-helixtrans-63.7-45.6174.600000111.7L106 Y110 Y269 C272 T274 E275 A281 L282L106-A278 HydrophobicContact CD1-CB 3.84Å; L106-A278 HydrophobicContact CD2-CB 4.22Å; L106-A278 HydrophobicContact CG-CB 4.36Å; Y110-A278 HydrophobicContact CD2-CB 3.95Å; Y110-A278 HydrophobicContact CE2-CB 4.09Å; Y269-A278 WeakPolarHBondContact O-CB 3.26Å; C272-A278 HydrophobicContact CB-CB 4.06Å; T274-A278 PolarHBondContact O-N 3.19Å; E275-A278 WeakPolarHBondContact O-CB 3.37Å; E275-A278 PolarHBondContact O-N 3.22Å; A278-A281 WeakPolarHBondContact O-CB 3.44Å; A278-A281 PolarHBondContact O-N 2.91Å; A278-L282 PolarHBondContact O-N 2.95Å
279K96.7Very high94.3Very high70 Ų7044.5 Ų44.530%0.30421%0.211SC..Hα-helixtrans-64.6-38.9173.6-67.1-179.8-169.4179.90112.6A102 L106 E275 A281 L282 L283A102-K279 HydrophobicContact CB-CG 4.23Å; A102-K279 WeakPolarHBondContact O-CE 3.4Å; L106-K279 HydrophobicContact CD1-CG 4.12Å; L106-K279 HydrophobicContact CD2-CG 3.9Å; E275-K279 WeakPolarHBondContact O-CG 3.4Å; E275-K279 PolarHBondContact O-N 3.12Å; E275-K279 WeakPolarHBondContact OE1-CE 3.33Å; E275-K279 IonicContact OE1-NZ 3Å; E275-K279 PolarHBondContact OE1-NZ 2.86Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 2.89Å; K279-L282 PolarHBondContact O-N 3.47Å; K279-L283 PolarHBondContact O-N 3.27Å
280L96.8Very high94.4Very high84 Ų8449.4 Ų49.444%0.4423%0.233SC..Hα-helixtrans-64-35.2173.3-178.660.5000112.1A56 R276 K277 L282 L283 V284A56-L280 HydrophobicContact CB-CB 3.93Å; A56-L280 HydrophobicContact CB-CD2 3.81Å; A56-L280 HydrophobicContact CB-CG 3.82Å; R276-L280 WeakPolarHBondContact O-CB 3.28Å; R276-L280 PolarHBondContact O-N 3.44Å; K277-L280 PolarHBondContact O-N 2.81Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L280-L282 PolarHBondContact O-N 2.84Å; L280-L283 HydrophobicContact CD1-CD2 4.34Å; L280-L283 PolarHBondContact O-N 3.23Å; L280-V284 WeakPolarHBondContact O-CG2 3.34Å; L280-V284 PolarHBondContact O-N 3.48Å
281A96.9Very high94.5Very high0 Ų052.2 Ų52.20%025%0.247CC..Hα-helixtrans-63.3-39.2174.700000111.9A56 V59 G60 L63 K277 A278 K279 L283 V284 N285A56-A281 HydrophobicContact CB-CB 4.38Å; A56-A281 WeakPolarHBondContact O-CA 3.36Å; A56-A281 WeakPolarHBondContact O-CB 3.38Å; V59-A281 HydrophobicContact CB-CB 4.05Å; V59-A281 HydrophobicContact CG1-CB 3.83Å; G60-A281 WeakPolarHBondContact CA-O 3.37Å; L63-A281 HydrophobicContact CD1-CB 4.16Å; K277-A281 WeakPolarHBondContact O-CB 3.43Å; K277-A281 PolarHBondContact O-N 3.48Å; A278-A281 WeakPolarHBondContact O-CB 3.44Å; A278-A281 PolarHBondContact O-N 2.91Å; K279-A281 VanDerWaalsContact C-N 3.31Å; K279-A281 PolarHBondContact O-N 2.89Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 3.41Å; A281-V284 PolarHBondContact O-N 3.3Å; A281-N285 VanDerWaalsContact O-CB 3.25Å; A281-N285 WeakPolarHBondContact O-CB 3.28Å; A281-N285 PolarHBondContact O-N 3.4Å
282L96Very high94.7Very high2 Ų252.2 Ų52.21%0.0125%0.247CC..Hα-helixtrans-63.4-33.8172.7-69.9173.3000113L63 T101 A102 L106 Y259 Y269 A278 K279 L280 N285 Q286L63-L282 HydrophobicContact CD1-CD2 4.18Å; T101-L282 HydrophobicContact CG2-CD1 3.77Å; T101-L282 HydrophobicContact CG2-CD2 4.24Å; A102-L282 HydrophobicContact CB-CD1 3.78Å; L106-L282 HydrophobicContact CD1-CD1 3.48Å; L106-L282 VanDerWaalsContact CD1-CD1 3.48Å; L106-L282 HydrophobicContact CD1-CG 4.26Å; Y259-L282 HydrophobicContact CD1-CD2 4.12Å; Y269-L282 HydrophobicContact CD1-CD2 4.15Å; A278-L282 PolarHBondContact O-N 2.95Å; K279-L282 PolarHBondContact O-N 3.47Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L280-L282 PolarHBondContact O-N 2.84Å; L282-N285 WeakPolarHBondContact O-CB 3.38Å; L282-Q286 PolarHBondContact O-N 3.21Å
283L95.7Very high94.8Very high113 Ų11352.2 Ų52.259%0.59225%0.247SC*.Hα-helixtrans-70.9-43.2174.8-178.262.4000112.2K279 L280 A281 N285 Q286 L287K279-L283 PolarHBondContact O-N 3.27Å; L280-L283 HydrophobicContact CD1-CD2 4.34Å; L280-L283 PolarHBondContact O-N 3.23Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 3.41Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 3.39Å; L283-Q286 PolarHBondContact O-N 3.33Å; L283-L287 PolarHBondContact O-N 3.33Å; L283-L287 VanDerWaalsContact O-N 3.15Å
284V96.6Very high95.1Very high28 Ų2848 Ų4817%0.1723%0.231CC..Hα-helixtrans-63-40.5174.1172.90000110.8V57 L61 L280 A281 Q286 L287 G288V57-V284 HydrophobicContact CG1-CG1 4.49Å; V57-V284 HydrophobicContact CG2-CG2 4.22Å; L61-V284 HydrophobicContact CD2-CG1 4.32Å; L61-V284 HydrophobicContact CG-CG1 4.27Å; L280-V284 WeakPolarHBondContact O-CG2 3.34Å; L280-V284 PolarHBondContact O-N 3.48Å; A281-V284 PolarHBondContact O-N 3.3Å; V284-Q286 PolarHBondContact O-N 3.2Å; V284-L287 PolarHBondContact O-N 3.27Å; V284-G288 PolarHBondContact O-N 3.27Å
285N95.1Very high95.2Very high0 Ų046 Ų460%022%0.219CC..Hα-helixtrans-54.9-49.9171.3166.671.1000111.7G60 L63 A64 Y259 A281 L282 L283 L287 G288 L289G60-N285 VanDerWaalsContact O-CA 3.24Å; G60-N285 WeakPolarHBondContact O-CA 3.44Å; G60-N285 WeakPolarHBondContact O-CB 3.35Å; L63-N285 VanDerWaalsContact C-OD1 3.25Å; L63-N285 HydrophobicContact CB-CB 3.89Å; L63-N285 WeakPolarHBondContact CB-OD1 3.22Å; L63-N285 HydrophobicContact CD1-CB 4.12Å; A64-N285 WeakPolarHBondContact CA-OD1 3.43Å; A64-N285 PolarHBondContact N-OD1 3.19Å; Y259-N285 VanDerWaalsContact CE1-ND2 3.34Å; Y259-N285 WeakPolarHBondContact CE1-ND2 3.46Å; Y259-N285 PolarHBondContact OH-OD1 2.92Å; Y259-N285 VanDerWaalsContact OH-OD1 3.04Å; A281-N285 VanDerWaalsContact O-CB 3.25Å; A281-N285 WeakPolarHBondContact O-CB 3.28Å; A281-N285 PolarHBondContact O-N 3.4Å; L282-N285 WeakPolarHBondContact O-CB 3.38Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 3.39Å; N285-L287 VanDerWaalsContact C-N 3.29Å; N285-L287 PolarHBondContact O-N 3.37Å; N285-G288 PolarHBondContact O-N 3.19Å; N285-G288 VanDerWaalsContact O-N 3.08Å; N285-L289 WeakPolarHBondContact O-CG 3.47Å; N285-L289 PolarHBondContact O-N 3.07Å
286Q94.8Very high95.3Very high14 Ų1444.2 Ų44.27%0.06521%0.211CC..Hα-helixtrans-60.7-37.9-179.5-174.257.84500112.7C91 Q94 L95 S98 L282 L283 V284 F290C91-Q286 PolarHBondContact O-NE2 3.28Å; C91-Q286 VanDerWaalsContact O-NE2 3.13Å; Q94-Q286 PolarHBondContact O-OE1 3.27Å; Q94-Q286 VanDerWaalsContact O-OE1 3.07Å; L95-Q286 HydrophobicContact CB-CG 4.29Å; L95-Q286 HydrophobicContact CD1-CG 3.9Å; S98-Q286 PolarHBondContact OG-OE1 3.36Å; L282-Q286 PolarHBondContact O-N 3.21Å; L283-Q286 PolarHBondContact O-N 3.33Å; V284-Q286 PolarHBondContact O-N 3.2Å; Q286-F290 WeakPolarHBondContact O-CB 3.3Å; Q286-F290 PolarHBondContact O-N 3.17Å
287L95Very high95.3Very high108 Ų10833.8 Ų33.857%0.56517%0.172SC*.Hα-helixtrans-65.9-43.6173.3-179.961.1000111.6L283 V284 N285 F290 L291L283-L287 PolarHBondContact O-N 3.33Å; L283-L287 VanDerWaalsContact O-N 3.15Å; V284-L287 PolarHBondContact O-N 3.27Å; N285-L287 VanDerWaalsContact C-N 3.29Å; N285-L287 PolarHBondContact O-N 3.37Å; L287-F290 PolarHBondContact O-N 2.95Å; L287-L291 HydrophobicContact CD1-CD1 4.38Å; L287-L291 HydrophobicContact CD1-CG 4.41Å; L287-L291 HydrophobicContact CG-CD1 4.28Å; L287-L291 WeakPolarHBondContact O-CG 3.21Å; L287-L291 PolarHBondContact O-N 3.24Å
288G93.6Very high95.4Very high4 Ų432.3 Ų32.34%0.04117%0.171CC..Hα-helixtrans-59.8-49.2175.500000112.6V284 N285 F290 L291 I292V284-G288 PolarHBondContact O-N 3.27Å; N285-G288 PolarHBondContact O-N 3.19Å; N285-G288 VanDerWaalsContact O-N 3.08Å; G288-F290 PolarHBondContact O-N 3.32Å; G288-L291 PolarHBondContact O-N 2.98Å; G288-I292 VanDerWaalsContact O-CG1 3.25Å; G288-I292 WeakPolarHBondContact O-CG1 3.45Å; G288-I292 PolarHBondContact O-N 3.04Å
289L93.1Very high95.4Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-57.4-48.2175.7-68.4177.8000111.6A64 M68 Q94 Y259 N285 L291 I292 V293A64-L289 HydrophobicContact CB-CD2 4.12Å; A64-L289 HydrophobicContact CB-CG 4.18Å; M68-L289 HydrophobicContact CG-CD2 3.61Å; M68-L289 HydrophobicContact SD-CD2 3.73Å; Q94-L289 HydrophobicContact CB-CD1 4.43Å; Q94-L289 HydrophobicContact CG-CD1 4.34Å; Y259-L289 HydrophobicContact CE2-CD1 4.39Å; N285-L289 WeakPolarHBondContact O-CG 3.47Å; N285-L289 PolarHBondContact O-N 3.07Å; L289-L291 PolarHBondContact O-N 3.27Å; L289-I292 PolarHBondContact O-N 2.81Å; L289-V293 WeakPolarHBondContact O-CB 3.27Å; L289-V293 VanDerWaalsContact O-CG2 3.27Å; L289-V293 WeakPolarHBondContact O-CG2 3.47Å; L289-V293 PolarHBondContact O-N 2.78Å
290F94.5Very high95.4Very high103 Ų10329 Ų2945%0.45216%0.157SC..Hα-helixtrans-57.2-47.7177.8176.2-98.2000111.9C91 Q286 L287 G288 I292 A294C91-F290 HydrophobicContact CB-CD2 3.89Å; Q286-F290 WeakPolarHBondContact O-CB 3.3Å; Q286-F290 PolarHBondContact O-N 3.17Å; L287-F290 PolarHBondContact O-N 2.95Å; G288-F290 PolarHBondContact O-N 3.32Å; F290-I292 PolarHBondContact O-N 3.46Å; F290-A294 WeakPolarHBondContact O-CB 3.42Å; F290-A294 PolarHBondContact O-N 2.67Å
291L94.9Very high95.5Very high67 Ų6725.5 Ų25.535%0.35114%0.139SC..Hα-helixtrans-62.5-44.1179.7-70.3172.6000112.3L199 L287 G288 L289 S295L199-L291 HydrophobicContact CD2-CB 4.12Å; L287-L291 HydrophobicContact CD1-CD1 4.38Å; L287-L291 HydrophobicContact CD1-CG 4.41Å; L287-L291 HydrophobicContact CG-CD1 4.28Å; L287-L291 WeakPolarHBondContact O-CG 3.21Å; L287-L291 PolarHBondContact O-N 3.24Å; G288-L291 PolarHBondContact O-N 2.98Å; L289-L291 PolarHBondContact O-N 3.27Å; L291-S295 VanDerWaalsContact O-CB 3.28Å; L291-S295 WeakPolarHBondContact O-CB 3.39Å; L291-S295 PolarHBondContact O-N 3.36Å; L291-S295 PolarHBondContact O-OG 2.85Å
292I93.7Very high95.5Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-72-46.3-178.2-55.3162.1000110.5M68 V195 M198 L199 F202 G288 L289 F290 S295 A296M68-I292 HydrophobicContact CB-CD1 4.23Å; M68-I292 HydrophobicContact CB-CG2 4.3Å; M68-I292 HydrophobicContact CE-CB 3.84Å; M68-I292 HydrophobicContact CE-CG2 3.4Å; M68-I292 VanDerWaalsContact CE-CG2 3.4Å; M68-I292 HydrophobicContact CG-CB 4.3Å; M68-I292 HydrophobicContact CG-CD1 3.9Å; M68-I292 HydrophobicContact CG-CG2 4.21Å; V195-I292 HydrophobicContact CG1-CD1 4.27Å; M198-I292 HydrophobicContact CE-CD1 4.43Å; M198-I292 HydrophobicContact CE-CG2 4.08Å; L199-I292 HydrophobicContact CD2-CB 4.39Å; L199-I292 HydrophobicContact CD2-CG1 3.69Å; L199-I292 HydrophobicContact CG-CG1 4.11Å; F202-I292 HydrophobicContact CD2-CG2 4.3Å; F202-I292 HydrophobicContact CE2-CG2 3.67Å; G288-I292 VanDerWaalsContact O-CG1 3.25Å; G288-I292 WeakPolarHBondContact O-CG1 3.45Å; G288-I292 PolarHBondContact O-N 3.04Å; L289-I292 PolarHBondContact O-N 2.81Å; F290-I292 PolarHBondContact O-N 3.46Å; I292-S295 PolarHBondContact O-N 2.96Å; I292-A296 WeakPolarHBondContact O-CB 3.49Å; I292-A296 PolarHBondContact O-N 3.45Å
293V94.3Very high95.6Very high0 Ų025.6 Ų25.60%014%0.14CC..Hα-helixtrans-63.8-42.6178.5174.60000111.2M68 V76 F87 L289 A296 A297M68-V293 HydrophobicContact CE-CG2 3.54Å; M68-V293 HydrophobicContact SD-CG2 3.79Å; V76-V293 HydrophobicContact CG1-CG1 4.44Å; F87-V293 HydrophobicContact CD1-CG1 4.16Å; F87-V293 HydrophobicContact CE1-CG1 4.28Å; L289-V293 WeakPolarHBondContact O-CB 3.27Å; L289-V293 VanDerWaalsContact O-CG2 3.27Å; L289-V293 WeakPolarHBondContact O-CG2 3.47Å; L289-V293 PolarHBondContact O-N 2.78Å; V293-A296 PolarHBondContact O-N 3.36Å; V293-A297 VanDerWaalsContact O-CB 3.32Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 3.1Å
294A95.4Very high95.6Very high21 Ų2120.7 Ų20.717%0.17411%0.113CC..Hα-helixtrans-64.4-43.4176.300000111.8L88 F290 A296 A297 C298L88-A294 HydrophobicContact CD2-CB 4.26Å; F290-A294 WeakPolarHBondContact O-CB 3.42Å; F290-A294 PolarHBondContact O-N 2.67Å; A294-A296 PolarHBondContact O-N 2.86Å; A294-A297 PolarHBondContact O-N 3.29Å; A294-C298 WeakPolarHBondContact O-CB 3.33Å; A294-C298 PolarHBondContact O-N 3.47Å; A294-C298 PolarHBondContact O-SG 3.06Å
295S95.8Very high95.6Very high10 Ų1019.3 Ų19.37%0.0711%0.105CC..Hα-helixtrans-61.2-44.5176.4-57.10000111.4W203 L291 I292 C298 C299W203-S295 PolarHBondContact NE1-OG 2.84Å; L291-S295 VanDerWaalsContact O-CB 3.28Å; L291-S295 WeakPolarHBondContact O-CB 3.39Å; L291-S295 PolarHBondContact O-N 3.36Å; L291-S295 PolarHBondContact O-OG 2.85Å; I292-S295 PolarHBondContact O-N 2.96Å; S295-C298 PolarHBondContact O-N 3.11Å; S295-C299 PolarHBondContact O-N 3.01Å; S295-C299 PolarHBondContact O-SG 3.03Å
296A95.3Very high95.7Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-66.1-43.317800000112.8V76 P77 F202 I292 V293 A294 C299 G300V76-A296 HydrophobicContact CB-CB 3.9Å; V76-A296 HydrophobicContact CG1-CB 3.8Å; P77-A296 HydrophobicContact CG-CB 4.21Å; P77-A296 WeakPolarHBondContact CG-O 3.36Å; F202-A296 HydrophobicContact CD1-CB 4.38Å; F202-A296 HydrophobicContact CE1-CB 3.68Å; F202-A296 HydrophobicContact CE2-CB 4.34Å; F202-A296 HydrophobicContact CZ-CB 3.64Å; I292-A296 WeakPolarHBondContact O-CB 3.49Å; I292-A296 PolarHBondContact O-N 3.45Å; V293-A296 PolarHBondContact O-N 3.36Å; A294-A296 PolarHBondContact O-N 2.86Å; A296-C299 WeakPolarHBondContact O-CB 3.27Å; A296-C299 PolarHBondContact O-N 3.46Å; A296-C299 VanDerWaalsContact O-N 3.15Å; A296-G300 PolarHBondContact O-N 2.6Å
297A96.1Very high95.7Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-63.6-42.4176.400000111.6V76 A80 L85 L88 V293 A294 C299 G300 I301V76-A297 HydrophobicContact CG1-CB 4.31Å; A80-A297 HydrophobicContact CB-CB 4.19Å; L85-A297 HydrophobicContact CD2-CB 4.22Å; L88-A297 HydrophobicContact CD2-CB 3.66Å; L88-A297 HydrophobicContact CG-CB 4.28Å; V293-A297 VanDerWaalsContact O-CB 3.32Å; V293-A297 WeakPolarHBondContact O-CB 3.41Å; V293-A297 PolarHBondContact O-N 3.1Å; A294-A297 PolarHBondContact O-N 3.29Å; A297-C299 VanDerWaalsContact C-N 3.29Å; A297-C299 PolarHBondContact O-N 3.01Å; A297-G300 WeakPolarHBondContact O-CA 3.38Å; A297-G300 PolarHBondContact O-N 2.92Å; A297-G300 VanDerWaalsContact O-N 3.08Å; A297-I301 PolarHBondContact O-N 3.46Å; A297-I301 VanDerWaalsContact O-N 3.07Å
298C97Very high95.7Very high54 Ų5420 Ų2037%0.36510%0.101SC..Hα-helixtrans-60.8-37.1172.4-71.80000112.1L206 A294 S295 G300 I301 V302L206-C298 HydrophobicContact CD1-CB 4.25Å; L206-C298 VanDerWaalsContact CD2-C 3.46Å; L206-C298 HydrophobicContact CD2-CB 3.6Å; A294-C298 WeakPolarHBondContact O-CB 3.33Å; A294-C298 PolarHBondContact O-N 3.47Å; A294-C298 PolarHBondContact O-SG 3.06Å; S295-C298 PolarHBondContact O-N 3.11Å; C298-G300 VanDerWaalsContact C-N 3.28Å; C298-G300 PolarHBondContact O-N 3.38Å; C298-I301 PolarHBondContact O-N 3.45Å; C298-V302 WeakPolarHBondContact O-CG2 3.16Å; C298-V302 PolarHBondContact O-N 3.5Å
299C96.9Very high95.6Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-61.6-40.1173.5-660000110.7P77 L206 S295 A296 A297 I301 V302 M303 M325P77-C299 HydrophobicContact CB-CB 4.38Å; P77-C299 HydrophobicContact CG-CB 4.33Å; L206-C299 HydrophobicContact CD2-CB 4.34Å; L206-C299 VanDerWaalsContact CG-SG 3.57Å; S295-C299 PolarHBondContact O-N 3.01Å; S295-C299 PolarHBondContact O-SG 3.03Å; A296-C299 WeakPolarHBondContact O-CB 3.27Å; A296-C299 PolarHBondContact O-N 3.46Å; A296-C299 VanDerWaalsContact O-N 3.15Å; A297-C299 VanDerWaalsContact C-N 3.29Å; A297-C299 PolarHBondContact O-N 3.01Å; C299-I301 VanDerWaalsContact C-N 3.34Å; C299-I301 PolarHBondContact O-N 3.14Å; C299-V302 PolarHBondContact O-N 3.19Å; C299-M303 WeakPolarHBondContact O-CB 3.31Å; C299-M303 PolarHBondContact O-N 3.33Å; C299-M325 HydrophobicContact CB-CE 3.61Å
300G96.9Very high95.6Very high0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-62.6-35.6174.600000114.1P77 A81 A296 A297 C298 F304P77-G300 WeakPolarHBondContact O-CA 3.36Å; A81-G300 WeakPolarHBondContact CB-O 3.12Å; A296-G300 PolarHBondContact O-N 2.6Å; A297-G300 WeakPolarHBondContact O-CA 3.38Å; A297-G300 PolarHBondContact O-N 2.92Å; A297-G300 VanDerWaalsContact O-N 3.08Å; C298-G300 VanDerWaalsContact C-N 3.28Å; C298-G300 PolarHBondContact O-N 3.38Å; G300-F304 WeakPolarHBondContact O-CB 3.23Å; G300-F304 PolarHBondContact O-N 3.38Å
301I97.6Very high95.6Very high11 Ų1120.8 Ų20.86%0.05611%0.112CC..Hα-helixtrans-67.9-45.9173.7-60.2-58.5000111.4L85 V219 A223 R228 A297 C298 C299 M303 F304 V305L85-I301 HydrophobicContact CD2-CD1 3.81Å; L85-I301 HydrophobicContact CD2-CG1 3.46Å; L85-I301 VanDerWaalsContact CD2-CG1 3.46Å; L85-I301 HydrophobicContact CG-CD1 3.82Å; L85-I301 HydrophobicContact CG-CG1 3.89Å; V219-I301 HydrophobicContact CG1-CG2 4.07Å; A223-I301 HydrophobicContact CB-CG2 3.46Å; A223-I301 VanDerWaalsContact CB-CG2 3.46Å; R228-I301 HydrophobicContact CB-CD1 3.78Å; A297-I301 PolarHBondContact O-N 3.46Å; A297-I301 VanDerWaalsContact O-N 3.07Å; C298-I301 PolarHBondContact O-N 3.45Å; C299-I301 VanDerWaalsContact C-N 3.34Å; C299-I301 PolarHBondContact O-N 3.14Å; I301-M303 VanDerWaalsContact C-N 3.3Å; I301-M303 PolarHBondContact O-N 2.9Å; I301-F304 PolarHBondContact O-N 3.01Å; I301-V305 WeakPolarHBondContact O-CG2 3.4Å; I301-V305 PolarHBondContact O-N 3.41Å
302V97.5Very high95.6Very high4 Ų417.6 Ų17.62%0.02410%0.095CC..Hα-helixtrans-59.5-43.2175.1171.60000110.8L206 V210 V219 C298 C299 V305 Y306L206-V302 HydrophobicContact CD2-CG2 4.14Å; V210-V302 HydrophobicContact CG2-CG2 3.73Å; V219-V302 HydrophobicContact CG1-CG2 4.05Å; C298-V302 WeakPolarHBondContact O-CG2 3.16Å; C298-V302 PolarHBondContact O-N 3.5Å; C299-V302 PolarHBondContact O-N 3.19Å; V302-V305 PolarHBondContact O-N 2.91Å; V302-Y306 WeakPolarHBondContact O-CB 3.41Å; V302-Y306 PolarHBondContact O-N 3.43Å
303M97.1Very high95.6Very high1 Ų119.8 Ų19.81%0.00511%0.107CC..Hα-helixtrans-61.2-45.5176.9-168.2167.47800112.7P77 A81 C299 I301 Y306 Y307 Y324 M325 L328P77-M303 HydrophobicContact CB-CE 4.08Å; P77-M303 HydrophobicContact CB-SD 4.49Å; P77-M303 VanDerWaalsContact O-CE 3.32Å; P77-M303 WeakPolarHBondContact O-CE 3.33Å; A81-M303 HydrophobicContact CB-CE 3.62Å; C299-M303 WeakPolarHBondContact O-CB 3.31Å; C299-M303 PolarHBondContact O-N 3.33Å; I301-M303 VanDerWaalsContact C-N 3.3Å; I301-M303 PolarHBondContact O-N 2.9Å; M303-Y306 PolarHBondContact O-N 3.06Å; M303-Y307 HydrophobicContact CG-CD2 4.12Å; M303-Y307 HydrophobicContact CG-CE2 4.21Å; M303-Y307 WeakPolarHBondContact O-CD2 3.29Å; M303-Y307 PolarHBondContact O-N 3.31Å; M303-Y307 VanDerWaalsContact O-N 3.09Å; M303-Y324 VanDerWaalsContact CE-CB 3.48Å; M303-Y324 HydrophobicContact CE-CD2 4.41Å; M303-Y324 HydrophobicContact CE-CG 4.08Å; M303-Y324 WeakPolarHBondContact SD-CB 3.4Å; M303-Y324 HydrophobicContact SD-CG 4.49Å; M303-M325 HydrophobicContact SD-CB 4.21Å; M303-M325 HydrophobicContact SD-CE 3.65Å; M303-L328 HydrophobicContact CB-CD2 3.77Å; M303-L328 HydrophobicContact CG-CB 4.23Å; M303-L328 HydrophobicContact CG-CD1 4.29Å; M303-L328 HydrophobicContact CG-CD2 3.87Å; M303-L328 HydrophobicContact CG-CG 4.35Å; M303-L328 HydrophobicContact SD-CB 4.41Å; M303-L328 HydrophobicContact SD-CD2 4.27Å
304F96.7Very high95.5Very high9 Ų924.7 Ų24.74%0.03913%0.132CC..Hα-helixtrans-60.8-46.6172.7164.8-96.6000111.4A81 H226 R228 G300 I301 Y306 Y307 K308 T478A81-F304 HydrophobicContact CB-CB 4.06Å; H226-F304 HydrophobicContact CB-CE1 3.6Å; H226-F304 HydrophobicContact CB-CZ 3.41Å; H226-F304 VanDerWaalsContact CB-CZ 3.41Å; H226-F304 AromaticContact CG-CE1 3.93Å; H226-F304 AromaticContact CG-CZ 3.66Å; R228-F304 HydrophobicContact CG-CD1 3.58Å; R228-F304 HydrophobicContact CG-CD2 4.48Å; R228-F304 HydrophobicContact CG-CE1 3.73Å; R228-F304 HydrophobicContact CG-CG 3.99Å; R228-F304 HydrophobicContact CG-CZ 4.27Å; R228-F304 VanDerWaalsContact NH2-CE2 3.31Å; G300-F304 WeakPolarHBondContact O-CB 3.23Å; G300-F304 PolarHBondContact O-N 3.38Å; I301-F304 PolarHBondContact O-N 3.01Å; F304-Y306 VanDerWaalsContact C-N 3.31Å; F304-Y306 PolarHBondContact O-N 3.42Å; F304-Y307 CarbonylContact O-C 3.57Å; F304-Y307 PolarHBondContact O-N 3.1Å; F304-K308 HydrophobicContact CE1-CB 4.47Å; F304-K308 HydrophobicContact CZ-CB 4.21Å; F304-K308 VanDerWaalsContact O-CA 3.31Å; F304-K308 WeakPolarHBondContact O-CA 3.3Å; F304-K308 WeakPolarHBondContact O-CB 3.19Å; F304-K308 PolarHBondContact O-N 2.79Å; F304-T478 HydrophobicContact CD2-CG2 4.36Å; F304-T478 HydrophobicContact CE2-CG2 4.21Å
305V96.9Very high95.4Very high0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-64.2-37.3-178.5170.40000111.4M213 V219 L222 A223 I301 V302 K308M213-V305 HydrophobicContact CB-CG1 4.15Å; M213-V305 HydrophobicContact CE-CG1 3.73Å; M213-V305 HydrophobicContact CG-CG1 3.96Å; V219-V305 HydrophobicContact CG1-CG2 4.22Å; L222-V305 HydrophobicContact CB-CG1 4.07Å; L222-V305 HydrophobicContact CB-CG2 3.96Å; L222-V305 HydrophobicContact CD1-CG1 3.64Å; A223-V305 HydrophobicContact CB-CG2 4.41Å; I301-V305 WeakPolarHBondContact O-CG2 3.4Å; I301-V305 PolarHBondContact O-N 3.41Å; V302-V305 PolarHBondContact O-N 2.91Å; V305-K308 VanDerWaalsContact O-CG 3.31Å; V305-K308 WeakPolarHBondContact O-CG 3.28Å
306Y96.2Very high95.1Very high76 Ų7628.8 Ų28.830%0.29817%0.166SC..Hα-helixtrans-63.6-45.2175-170.3-98.5000112.3L212 M213 V302 M303 F304 L328 D331 I332L212-Y306 HydrophobicContact CD1-CE2 4.43Å; M213-Y306 HydrophobicContact SD-CD2 3.68Å; M213-Y306 HydrophobicContact SD-CG 4.39Å; V302-Y306 WeakPolarHBondContact O-CB 3.41Å; V302-Y306 PolarHBondContact O-N 3.43Å; M303-Y306 PolarHBondContact O-N 3.06Å; F304-Y306 VanDerWaalsContact C-N 3.31Å; F304-Y306 PolarHBondContact O-N 3.42Å; Y306-L328 HydrophobicContact CD1-CD1 3.63Å; Y306-L328 HydrophobicContact CE1-CD1 4.28Å; Y306-L328 HydrophobicContact CG-CD1 3.82Å; Y306-D331 HydrophobicContact CE1-CB 3.88Å; Y306-D331 PolarHBondContact OH-O 2.96Å; Y306-I332 HydrophobicContact CD2-CG2 4.13Å; Y306-I332 HydrophobicContact CE1-CG2 4.34Å; Y306-I332 HydrophobicContact CE2-CG2 3.79Å
307Y96.2Very high94.9Very high15 Ų1534.1 Ų34.16%0.05919%0.186CC..THydrogen-bonded Turntrans-93.310.1-179.2-65.3-56.5000114.9M303 F304 D309 C310 D311 P312 Y324 L327 L328 D331M303-Y307 HydrophobicContact CG-CD2 4.12Å; M303-Y307 HydrophobicContact CG-CE2 4.21Å; M303-Y307 WeakPolarHBondContact O-CD2 3.29Å; M303-Y307 PolarHBondContact O-N 3.31Å; M303-Y307 VanDerWaalsContact O-N 3.09Å; F304-Y307 CarbonylContact O-C 3.57Å; F304-Y307 PolarHBondContact O-N 3.1Å; Y307-D309 VanDerWaalsContact C-N 3.27Å; Y307-D309 PolarHBondContact O-N 3.31Å; Y307-D309 VanDerWaalsContact O-N 3.1Å; Y307-C310 CarbonylContact O-C 3.51Å; Y307-C310 PolarHBondContact O-N 2.65Å; Y307-D311 PolarHBondContact O-N 3.05Å; Y307-P312 HydrophobicContact CD1-CG 4.06Å; Y307-P312 HydrophobicContact CD2-CG 4.05Å; Y307-P312 HydrophobicContact CE1-CG 4.19Å; Y307-P312 HydrophobicContact CE2-CG 4.15Å; Y307-P312 HydrophobicContact CG-CG 4.01Å; Y307-Y324 HydrophobicContact CD2-CD1 4.45Å; Y307-L327 WeakPolarHBondContact OH-CG 3.44Å; Y307-L328 HydrophobicContact CE2-CB 4.2Å; Y307-L328 HydrophobicContact CE2-CD1 3.94Å; Y307-L328 WeakPolarHBondContact OH-CA 3.18Å; Y307-L328 PolarHBondContact OH-N 3.06Å; Y307-D331 WeakPolarHBondContact CE1-OD2 3.43Å; Y307-D331 PolarHBondContact OH-OD2 2.99Å
308K93.9Very high94.6Very high44 Ų4434.5 Ų34.519%0.19119%0.188CC..THydrogen-bonded Turntrans-56.1-35.6-167.269.7-179.3-175.568.60114.7L222 F304 V305L222-K308 HydrophobicContact CD1-CD 4.27Å; L222-K308 HydrophobicContact CD2-CD 4.23Å; F304-K308 HydrophobicContact CE1-CB 4.47Å; F304-K308 HydrophobicContact CZ-CB 4.21Å; F304-K308 VanDerWaalsContact O-CA 3.31Å; F304-K308 WeakPolarHBondContact O-CA 3.3Å; F304-K308 WeakPolarHBondContact O-CB 3.19Å; F304-K308 PolarHBondContact O-N 2.79Å; V305-K308 VanDerWaalsContact O-CG 3.31Å; V305-K308 WeakPolarHBondContact O-CG 3.28Å
309D91.5Very high94.2Very high81 Ų8136.2 Ų36.243%0.43321%0.206SC..THydrogen-bonded Turntrans-96.9-16.6-178.4-55.5-36.3000112.4Y307 S479 A480 G482Y307-D309 VanDerWaalsContact C-N 3.27Å; Y307-D309 PolarHBondContact O-N 3.31Å; Y307-D309 VanDerWaalsContact O-N 3.1Å; D309-S479 CarbonylContact C-O 3.47Å; D309-A480 CarbonylContact O-C 3.46Å; D309-G482 VanDerWaalsContact O-CA 3.3Å; D309-G482 WeakPolarHBondContact O-CA 3.3Å; D309-G482 PolarHBondContact O-N 3.25Å
310C93.9Very high93.8Very high37 Ų3737.9 Ų37.925%0.2522%0.22CC..SBendtrans-144.882.8-177.5-172.40000111.7Y307 P312 S479 C483Y307-C310 CarbonylContact O-C 3.51Å; Y307-C310 PolarHBondContact O-N 2.65Å; C310-P312 WeakPolarHBondContact O-CD 3.44Å; C310-S479 PolarHBondContact N-O 3.14Å; C310-C483 WeakPolarHBondContact CA-SG 3.34Å; C310-C483 HydrophobicContact CB-CB 4.1Å; C310-C483 WeakPolarHBondContact CB-SG 3.49Å; C310-C483 WeakPolarHBondContact SG-CA 3.19Å; C310-C483 WeakPolarHBondContact SG-CB 3.34Å; C310-C483 CovalentContact SG-SG 2.03Å; C310-C483 PolarHBondContact SG-SG 3.29Å
311D94.9Very high93.5Very high6 Ų639.2 Ų39.23%0.03223%0.229CC..  trans-68.2118.4179.2-170.7-25.5000110.9Y307 L313 L314 T315 Y324 T478 S479Y307-D311 PolarHBondContact O-N 3.05Å; D311-L313 PolarHBondContact O-N 3.45Å; D311-L313 WeakPolarHBondContact OD1-CB 3.4Å; D311-L313 PolarHBondContact OD1-N 3Å; D311-L314 HydrophobicContact CB-CB 4.1Å; D311-L314 HydrophobicContact CB-CD1 3.98Å; D311-L314 HydrophobicContact CB-CG 3.93Å; D311-L314 PolarHBondContact O-N 2.68Å; D311-T315 PolarHBondContact O-N 2.75Å; D311-T315 VanDerWaalsContact O-N 3.17Å; D311-T315 PolarHBondContact O-OG1 3.32Å; D311-Y324 VanDerWaalsContact OD1-CE1 3.29Å; D311-Y324 WeakPolarHBondContact OD1-CE1 3.41Å; D311-Y324 PolarHBondContact OD1-OH 3.28Å; D311-Y324 PolarHBondContact OD2-OH 3.06Å; D311-T478 WeakPolarHBondContact OD2-CB 3.28Å; D311-T478 WeakPolarHBondContact OD2-CG2 3.36Å; D311-T478 PolarHBondContact OD2-OG1 3Å; D311-S479 WeakPolarHBondContact CB-O 3.4Å; D311-S479 PolarHBondContact N-O 3.37Å
312P94Very high93.1Very high0 Ų039.1 Ų39.10%023%0.228CC..THydrogen-bonded Turntrans-64.6-20.5179.726.5-35.8000113.4Y307 C310 T315 G316 R317 I318 Y324 L327Y307-P312 HydrophobicContact CD1-CG 4.06Å; Y307-P312 HydrophobicContact CD2-CG 4.05Å; Y307-P312 HydrophobicContact CE1-CG 4.19Å; Y307-P312 HydrophobicContact CE2-CG 4.15Å; Y307-P312 HydrophobicContact CG-CG 4.01Å; C310-P312 WeakPolarHBondContact O-CD 3.44Å; P312-T315 VanDerWaalsContact CA-OG1 3.29Å; P312-T315 WeakPolarHBondContact CA-OG1 3.49Å; P312-T315 PolarHBondContact O-OG1 3.38Å; P312-G316 PolarHBondContact O-N 2.97Å; P312-R317 HydrophobicContact CB-CB 3.73Å; P312-R317 PolarHBondContact O-N 3.33Å; P312-I318 HydrophobicContact CB-CD1 4.36Å; P312-I318 HydrophobicContact CB-CG1 4.1Å; P312-I318 HydrophobicContact CG-CD1 4.1Å; P312-I318 HydrophobicContact CG-CG1 4.38Å; P312-I318 PolarHBondContact O-N 3.36Å; P312-Y324 HydrophobicContact CG-CD1 3.66Å; P312-Y324 HydrophobicContact CG-CE1 3.6Å; P312-L327 HydrophobicContact CB-CD2 3.47Å; P312-L327 VanDerWaalsContact CB-CD2 3.47Å; P312-L327 HydrophobicContact CG-CD2 3.87Å
313L92.9Very high92.9Very high47 Ų4740.4 Ų40.425%0.24623%0.234CC..THydrogen-bonded Turntrans-78.3-40.9175.8-172.865.4000111.5D311 T315 G316 I318 P321 Y324D311-L313 PolarHBondContact O-N 3.45Å; D311-L313 WeakPolarHBondContact OD1-CB 3.4Å; D311-L313 PolarHBondContact OD1-N 3Å; L313-T315 VanDerWaalsContact C-N 3.29Å; L313-T315 PolarHBondContact O-N 3.48Å; L313-G316 PolarHBondContact O-N 3.37Å; L313-I318 HydrophobicContact CB-CD1 4.22Å; L313-I318 HydrophobicContact CB-CG1 4.04Å; L313-I318 HydrophobicContact CD1-CG1 4.11Å; L313-P321 HydrophobicContact CD2-CG 4.27Å; L313-Y324 HydrophobicContact CB-CE1 4.3Å; L313-Y324 VanDerWaalsContact CB-OH 3.26Å; L313-Y324 WeakPolarHBondContact CB-OH 3.26Å; L313-Y324 HydrophobicContact CD2-CE2 4.36Å
314L93.1Very high92.7Very high103 Ų10340.9 Ų40.954%0.53924%0.235SC..THydrogen-bonded Turntrans-70-26.8177.4-64.9-177.7000112.8D311 A480D311-L314 HydrophobicContact CB-CB 4.1Å; D311-L314 HydrophobicContact CB-CD1 3.98Å; D311-L314 HydrophobicContact CB-CG 3.93Å; D311-L314 PolarHBondContact O-N 2.68Å; L314-A480 HydrophobicContact CB-CB 3.94Å; L314-A480 HydrophobicContact CD1-CB 4.36Å
315T91.9Very high92.5Very high61 Ų6140.4 Ų40.437%0.37423%0.234SC..THydrogen-bonded Turntrans-88-11175.249.70000114.4D311 P312 L313 R317 A480 C483D311-T315 PolarHBondContact O-N 2.75Å; D311-T315 VanDerWaalsContact O-N 3.17Å; D311-T315 PolarHBondContact O-OG1 3.32Å; P312-T315 VanDerWaalsContact CA-OG1 3.29Å; P312-T315 WeakPolarHBondContact CA-OG1 3.49Å; P312-T315 PolarHBondContact O-OG1 3.38Å; L313-T315 VanDerWaalsContact C-N 3.29Å; L313-T315 PolarHBondContact O-N 3.48Å; T315-R317 VanDerWaalsContact C-N 3.3Å; T315-R317 PolarHBondContact O-N 2.82Å; T315-A480 HydrophobicContact CG2-CB 4.22Å; T315-C483 HydrophobicContact CG2-CB 4.01Å; T315-C483 WeakPolarHBondContact CG2-SG 3.33Å
316G90.7Very high92.3Very high55 Ų5540.4 Ų40.457%0.56723%0.234SC*.THydrogen-bonded Turntrans73.115.2-173.600000114.9P312 L313 I318P312-G316 PolarHBondContact O-N 2.97Å; L313-G316 PolarHBondContact O-N 3.37Å; G316-I318 PolarHBondContact O-N 2.93Å
317R90.3Very high92.2Very high113 Ų11338 Ų3843%0.42623%0.225SC..SBendtrans-59.2-32.9164.9-75.5-177.273.5-155.70.2110.6P312 T315 L327 D331P312-R317 HydrophobicContact CB-CB 3.73Å; P312-R317 PolarHBondContact O-N 3.33Å; T315-R317 VanDerWaalsContact C-N 3.3Å; T315-R317 PolarHBondContact O-N 2.82Å; R317-L327 HydrophobicContact CB-CD2 4.46Å; R317-D331 IonicContact CZ-OD1 2.78Å; R317-D331 IonicContact CZ-OD2 3.52Å; R317-D331 IonicContact NH1-OD2 3.36Å; R317-D331 PolarHBondContact NH1-OD2 3.46Å; R317-D331 VanDerWaalsContact NH2-CG 3.34Å; R317-D331 IonicContact NH2-OD1 2.78Å; R317-D331 PolarHBondContact NH2-OD1 2.88Å; R317-D331 IonicContact NH2-OD2 2.66Å; R317-D331 PolarHBondContact NH2-OD2 3.35Å
318I91.1Very high92.1Very high7 Ų737.2 Ų37.24%0.03622%0.223CC..  trans-126.2154.8169.461.4176.7000111.1P312 L313 G316 Q323 Y324 L327P312-I318 HydrophobicContact CB-CD1 4.36Å; P312-I318 HydrophobicContact CB-CG1 4.1Å; P312-I318 HydrophobicContact CG-CD1 4.1Å; P312-I318 HydrophobicContact CG-CG1 4.38Å; P312-I318 PolarHBondContact O-N 3.36Å; L313-I318 HydrophobicContact CB-CD1 4.22Å; L313-I318 HydrophobicContact CB-CG1 4.04Å; L313-I318 HydrophobicContact CD1-CG1 4.11Å; G316-I318 PolarHBondContact O-N 2.93Å; I318-Q323 HydrophobicContact CB-CB 3.76Å; I318-Q323 HydrophobicContact CD1-CB 4.27Å; I318-Q323 HydrophobicContact CG2-CB 3.67Å; I318-Y324 HydrophobicContact CD1-CD1 3.49Å; I318-Y324 VanDerWaalsContact CD1-CD1 3.49Å; I318-Y324 HydrophobicContact CD1-CD2 4.08Å; I318-Y324 HydrophobicContact CD1-CE1 3.76Å; I318-Y324 HydrophobicContact CD1-CE2 4.29Å; I318-Y324 HydrophobicContact CD1-CG 3.64Å; I318-L327 HydrophobicContact CG2-CB 4.31Å; I318-L327 HydrophobicContact CG2-CD2 3.92Å
319A88Confident92.1Very high91 Ų9135.2 Ų35.275%0.75221%0.214SC*.SBendtrans-100.6-19179.700000113.7
320A88.9Confident92.1Very high34 Ų3432.4 Ų32.428%0.28120%0.199SC..SBendtrans-145.7150.9-17700000112.5D322 Q323A320-D322 VanDerWaalsContact C-N 3.27Å; A320-D322 PolarHBondContact O-N 3.33Å; A320-Q323 HydrophobicContact CB-CG 4.48Å; A320-Q323 VanDerWaalsContact O-CB 3.24Å; A320-Q323 WeakPolarHBondContact O-CB 3.32Å; A320-Q323 PolarHBondContact O-N 3Å
321P90.9Very high92.1Very high29 Ų2932.5 Ų32.519%0.18820%0.197CC..G310 helixtrans-58-31.1-179.3-2735.4000115.4A78 L313 Q323 Y324A78-P321 HydrophobicContact CB-CB 4.21Å; A78-P321 WeakPolarHBondContact CB-O 3.29Å; L313-P321 HydrophobicContact CD2-CG 4.27Å; P321-Q323 PolarHBondContact O-N 2.64Å; P321-Y324 HydrophobicContact CB-CD2 4.13Å; P321-Y324 HydrophobicContact CB-CE2 4.11Å; P321-Y324 WeakPolarHBondContact O-CD2 3.07Å; P321-Y324 PolarHBondContact O-N 2.95Å; P321-Y324 VanDerWaalsContact O-N 3.1Å
322D89.3Confident92.1Very high8 Ų832.2 Ų32.24%0.04320%0.195CC..G310 helixtrans-62.7-17179.2-58.2-41000112.7L74 L154 A320 P326 G411 V412L74-D322 HydrophobicContact CB-CB 4.48Å; L74-D322 HydrophobicContact CD1-CB 4.43Å; L154-D322 HydrophobicContact CD2-CB 4.01Å; A320-D322 VanDerWaalsContact C-N 3.27Å; A320-D322 PolarHBondContact O-N 3.33Å; D322-P326 WeakPolarHBondContact O-CD 3.45Å; D322-G411 VanDerWaalsContact OD2-CA 3.27Å; D322-G411 WeakPolarHBondContact OD2-CA 3.46Å; D322-V412 HydrophobicContact CB-CG2 4.48Å; D322-V412 PolarHBondContact OD1-N 3.29Å; D322-V412 PolarHBondContact OD2-N 3.4Å
323Q91.9Very high92Very high32 Ų3232.6 Ų32.615%0.1520%0.197CC..G310 helixtrans-85.4-8.3179.6-60.1-169.2-42.800114L154 Q158 I318 A320 P321 P326 L327L154-Q323 HydrophobicContact CD2-CG 4.49Å; Q158-Q323 VanDerWaalsContact NE2-CB 3.29Å; I318-Q323 HydrophobicContact CB-CB 3.76Å; I318-Q323 HydrophobicContact CD1-CB 4.27Å; I318-Q323 HydrophobicContact CG2-CB 3.67Å; A320-Q323 HydrophobicContact CB-CG 4.48Å; A320-Q323 VanDerWaalsContact O-CB 3.24Å; A320-Q323 WeakPolarHBondContact O-CB 3.32Å; A320-Q323 PolarHBondContact O-N 3Å; P321-Q323 PolarHBondContact O-N 2.64Å; Q323-P326 WeakPolarHBondContact O-CD 3.23Å; Q323-L327 WeakPolarHBondContact O-CB 3.45Å; Q323-L327 PolarHBondContact O-N 3.37Å
324Y93.3Very high91.9Very high10 Ų1037.6 Ų37.64%0.03922%0.219CC..Hα-helixtrans-61.3-45178.9-80.9-68.4000112.3A78 R82 M303 Y307 D311 P312 L313 I318 P321 L327 L328A78-Y324 HydrophobicContact CB-CD2 4.4Å; R82-Y324 HydrophobicContact CG-CE2 4.42Å; M303-Y324 VanDerWaalsContact CE-CB 3.48Å; M303-Y324 HydrophobicContact CE-CD2 4.41Å; M303-Y324 HydrophobicContact CE-CG 4.08Å; M303-Y324 WeakPolarHBondContact SD-CB 3.4Å; M303-Y324 HydrophobicContact SD-CG 4.49Å; Y307-Y324 HydrophobicContact CD2-CD1 4.45Å; D311-Y324 VanDerWaalsContact OD1-CE1 3.29Å; D311-Y324 WeakPolarHBondContact OD1-CE1 3.41Å; D311-Y324 PolarHBondContact OD1-OH 3.28Å; D311-Y324 PolarHBondContact OD2-OH 3.06Å; P312-Y324 HydrophobicContact CG-CD1 3.66Å; P312-Y324 HydrophobicContact CG-CE1 3.6Å; L313-Y324 HydrophobicContact CB-CE1 4.3Å; L313-Y324 VanDerWaalsContact CB-OH 3.26Å; L313-Y324 WeakPolarHBondContact CB-OH 3.26Å; L313-Y324 HydrophobicContact CD2-CE2 4.36Å; I318-Y324 HydrophobicContact CD1-CD1 3.49Å; I318-Y324 VanDerWaalsContact CD1-CD1 3.49Å; I318-Y324 HydrophobicContact CD1-CD2 4.08Å; I318-Y324 HydrophobicContact CD1-CE1 3.76Å; I318-Y324 HydrophobicContact CD1-CE2 4.29Å; I318-Y324 HydrophobicContact CD1-CG 3.64Å; P321-Y324 HydrophobicContact CB-CD2 4.13Å; P321-Y324 HydrophobicContact CB-CE2 4.11Å; P321-Y324 WeakPolarHBondContact O-CD2 3.07Å; P321-Y324 PolarHBondContact O-N 2.95Å; P321-Y324 VanDerWaalsContact O-N 3.1Å; Y324-L327 PolarHBondContact O-N 3.32Å; Y324-L328 WeakPolarHBondContact O-CB 3.42Å; Y324-L328 PolarHBondContact O-N 3.49Å
325M93.4Very high91.6Very high0 Ų038.7 Ų38.70%023%0.225CC..Hα-helixtrans-71.5-43.9-174.2-17655.163.600113.1L74 P77 I205 C299 M303 L327 L328 V329 F343L74-M325 HydrophobicContact CD2-CB 4.24Å; P77-M325 HydrophobicContact CB-CE 3.32Å; P77-M325 HydrophobicContact CG-CE 3.68Å; I205-M325 HydrophobicContact CD1-SD 4.34Å; I205-M325 HydrophobicContact CG2-SD 4.23Å; C299-M325 HydrophobicContact CB-CE 3.61Å; M303-M325 HydrophobicContact SD-CB 4.21Å; M303-M325 HydrophobicContact SD-CE 3.65Å; M325-L327 VanDerWaalsContact C-N 3.29Å; M325-L327 PolarHBondContact O-N 2.89Å; M325-L328 HydrophobicContact CE-CD2 4.04Å; M325-L328 PolarHBondContact O-N 2.81Å; M325-L328 HydrophobicContact SD-CB 4.49Å; M325-L328 HydrophobicContact SD-CD2 3.96Å; M325-V329 WeakPolarHBondContact O-CG2 3.46Å; M325-V329 PolarHBondContact O-N 2.94Å; M325-V329 HydrophobicContact SD-CG2 4.14Å; M325-F343 HydrophobicContact CB-CZ 4.27Å; M325-F343 HydrophobicContact CG-CE2 3.52Å; M325-F343 HydrophobicContact CG-CZ 3.52Å; M325-F343 HydrophobicContact SD-CE2 4.44Å
326P92.6Very high91.6Very high0 Ų039.2 Ų39.20%023%0.225CC..Hα-helixtrans-59.9-38.7172.3-26.137.4000112.5L74 I155 Q158 V159 D322 Q323 V329 L330 F343L74-P326 HydrophobicContact CD2-CG 3.76Å; I155-P326 HydrophobicContact CG1-CG 4.07Å; I155-P326 HydrophobicContact CG2-CG 4.37Å; Q158-P326 HydrophobicContact CB-CB 4.41Å; V159-P326 HydrophobicContact CG1-CB 4.21Å; D322-P326 WeakPolarHBondContact O-CD 3.45Å; Q323-P326 WeakPolarHBondContact O-CD 3.23Å; P326-V329 PolarHBondContact O-N 3.24Å; P326-L330 WeakPolarHBondContact O-CG 3.38Å; P326-L330 PolarHBondContact O-N 3.46Å; P326-F343 HydrophobicContact CB-CE1 4.3Å; P326-F343 HydrophobicContact CG-CE1 4.07Å; P326-F343 HydrophobicContact CG-CZ 4.39Å
327L92.9Very high91.4Very high24 Ų2440.6 Ų40.613%0.12622%0.224CC..Hα-helixtrans-65.7-46.1174.9-172.670.5000111.8Y307 P312 R317 I318 Q323 Y324 M325 V329 L330 D331Y307-L327 WeakPolarHBondContact OH-CG 3.44Å; P312-L327 HydrophobicContact CB-CD2 3.47Å; P312-L327 VanDerWaalsContact CB-CD2 3.47Å; P312-L327 HydrophobicContact CG-CD2 3.87Å; R317-L327 HydrophobicContact CB-CD2 4.46Å; I318-L327 HydrophobicContact CG2-CB 4.31Å; I318-L327 HydrophobicContact CG2-CD2 3.92Å; Q323-L327 WeakPolarHBondContact O-CB 3.45Å; Q323-L327 PolarHBondContact O-N 3.37Å; Y324-L327 PolarHBondContact O-N 3.32Å; M325-L327 VanDerWaalsContact C-N 3.29Å; M325-L327 PolarHBondContact O-N 2.89Å; L327-V329 VanDerWaalsContact C-N 3.28Å; L327-V329 PolarHBondContact O-N 2.85Å; L327-L330 PolarHBondContact O-N 3.23Å; L327-D331 WeakPolarHBondContact O-CB 2.98Å; L327-D331 PolarHBondContact O-N 3.29Å
328L94.6Very high91.3Very high0 Ų035.6 Ų35.60%021%0.208CC..Hα-helixtrans-55.9-45177.2-17774.8000111.1I205 M303 Y306 Y307 Y324 M325 L330 D331 I332I205-L328 HydrophobicContact CG2-CD2 4.29Å; M303-L328 HydrophobicContact CB-CD2 3.77Å; M303-L328 HydrophobicContact CG-CB 4.23Å; M303-L328 HydrophobicContact CG-CD1 4.29Å; M303-L328 HydrophobicContact CG-CD2 3.87Å; M303-L328 HydrophobicContact CG-CG 4.35Å; M303-L328 HydrophobicContact SD-CB 4.41Å; M303-L328 HydrophobicContact SD-CD2 4.27Å; Y306-L328 HydrophobicContact CD1-CD1 3.63Å; Y306-L328 HydrophobicContact CE1-CD1 4.28Å; Y306-L328 HydrophobicContact CG-CD1 3.82Å; Y307-L328 HydrophobicContact CE2-CB 4.2Å; Y307-L328 HydrophobicContact CE2-CD1 3.94Å; Y307-L328 WeakPolarHBondContact OH-CA 3.18Å; Y307-L328 PolarHBondContact OH-N 3.06Å; Y324-L328 WeakPolarHBondContact O-CB 3.42Å; Y324-L328 PolarHBondContact O-N 3.49Å; M325-L328 HydrophobicContact CE-CD2 4.04Å; M325-L328 PolarHBondContact O-N 2.81Å; M325-L328 HydrophobicContact SD-CB 4.49Å; M325-L328 HydrophobicContact SD-CD2 3.96Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.93Å; L328-D331 PolarHBondContact O-N 3.47Å; L328-I332 HydrophobicContact CD1-CG2 3.84Å; L328-I332 HydrophobicContact CG-CD1 4.3Å; L328-I332 HydrophobicContact CG-CG2 4.18Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG2 3.36Å; L328-I332 PolarHBondContact O-N 2.89Å
329V94.1Very high91.2Very high1 Ų137 Ų371%0.00622%0.217CC..Hα-helixtrans-62.3-40.5-179.61680000111.6I205 M325 P326 L327 F333 P340 F343I205-V329 HydrophobicContact CD1-CG2 3.71Å; I205-V329 HydrophobicContact CG1-CG2 4.06Å; M325-V329 WeakPolarHBondContact O-CG2 3.46Å; M325-V329 PolarHBondContact O-N 2.94Å; M325-V329 HydrophobicContact SD-CG2 4.14Å; P326-V329 PolarHBondContact O-N 3.24Å; L327-V329 VanDerWaalsContact C-N 3.28Å; L327-V329 PolarHBondContact O-N 2.85Å; V329-F333 HydrophobicContact CG1-CD2 4.27Å; V329-F333 WeakPolarHBondContact O-CB 3.37Å; V329-F333 WeakPolarHBondContact O-CD2 3.36Å; V329-F333 PolarHBondContact O-N 3.42Å; V329-P340 HydrophobicContact CG1-CB 4.07Å; V329-P340 HydrophobicContact CG1-CG 4.45Å; V329-F343 HydrophobicContact CB-CD1 4.16Å; V329-F343 HydrophobicContact CB-CG 4.33Å; V329-F343 HydrophobicContact CG1-CB 3.8Å; V329-F343 HydrophobicContact CG1-CD1 4.05Å; V329-F343 HydrophobicContact CG1-CG 4.09Å; V329-F343 HydrophobicContact CG2-CB 4.05Å; V329-F343 HydrophobicContact CG2-CD1 3.87Å; V329-F343 HydrophobicContact CG2-CD2 3.95Å; V329-F343 HydrophobicContact CG2-CE1 4.31Å; V329-F343 HydrophobicContact CG2-CE2 4.37Å; V329-F343 HydrophobicContact CG2-CG 3.67Å
330L92.1Very high91.3Very high23 Ų2333 Ų3312%0.1218%0.184CC..Hα-helixtrans-67.4-48.3174.4-65.8169.7000111.1A10 F12 V159 P326 L327 L328 I332 E334A10-L330 HydrophobicContact CB-CB 4.49Å; A10-L330 HydrophobicContact CB-CD2 4.49Å; F12-L330 HydrophobicContact CD1-CD2 4.47Å; F12-L330 HydrophobicContact CE1-CD2 4.47Å; V159-L330 HydrophobicContact CG1-CD1 4.35Å; P326-L330 WeakPolarHBondContact O-CG 3.38Å; P326-L330 PolarHBondContact O-N 3.46Å; L327-L330 PolarHBondContact O-N 3.23Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-L330 PolarHBondContact O-N 2.93Å; L330-I332 PolarHBondContact O-N 3.44Å; L330-E334 PolarHBondContact O-N 2.99Å
331D93Very high91.5Very high38 Ų3831.4 Ų31.420%0.20317%0.17CC..Hα-helixtrans-63.9-35.2-178.1-75.98.9000112.7Y306 Y307 R317 L327 L328Y306-D331 HydrophobicContact CE1-CB 3.88Å; Y306-D331 PolarHBondContact OH-O 2.96Å; Y307-D331 WeakPolarHBondContact CE1-OD2 3.43Å; Y307-D331 PolarHBondContact OH-OD2 2.99Å; R317-D331 IonicContact CZ-OD1 2.78Å; R317-D331 IonicContact CZ-OD2 3.52Å; R317-D331 IonicContact NH1-OD2 3.36Å; R317-D331 PolarHBondContact NH1-OD2 3.46Å; R317-D331 VanDerWaalsContact NH2-CG 3.34Å; R317-D331 IonicContact NH2-OD1 2.78Å; R317-D331 PolarHBondContact NH2-OD1 2.88Å; R317-D331 IonicContact NH2-OD2 2.66Å; R317-D331 PolarHBondContact NH2-OD2 3.35Å; L327-D331 WeakPolarHBondContact O-CB 2.98Å; L327-D331 PolarHBondContact O-N 3.29Å; L328-D331 PolarHBondContact O-N 3.47Å
332I94.2Very high91.6Very high1 Ų131.8 Ų31.81%0.00517%0.171CC..Hα-helixtrans-91.9-18-177.576.3-178.3000114.7I205 R208 L212 Y306 L328 L330I205-I332 HydrophobicContact CG2-CD1 4.18Å; R208-I332 HydrophobicContact CB-CD1 4.32Å; R208-I332 HydrophobicContact CG-CB 4.16Å; R208-I332 HydrophobicContact CG-CD1 4.16Å; R208-I332 HydrophobicContact CG-CG1 4.06Å; R208-I332 PolarHBondContact NE-O 3.5Å; R208-I332 PolarHBondContact NH2-O 3.44Å; L212-I332 HydrophobicContact CD1-CB 3.67Å; L212-I332 HydrophobicContact CD1-CG2 3.84Å; Y306-I332 HydrophobicContact CD2-CG2 4.13Å; Y306-I332 HydrophobicContact CE1-CG2 4.34Å; Y306-I332 HydrophobicContact CE2-CG2 3.79Å; L328-I332 HydrophobicContact CD1-CG2 3.84Å; L328-I332 HydrophobicContact CG-CD1 4.3Å; L328-I332 HydrophobicContact CG-CG2 4.18Å; L328-I332 VanDerWaalsContact O-CG1 3.3Å; L328-I332 WeakPolarHBondContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG2 3.36Å; L328-I332 PolarHBondContact O-N 2.89Å; L330-I332 PolarHBondContact O-N 3.44Å
333F93.8Very high91.7Very high8 Ų831.6 Ų31.64%0.03517%0.169CC..SBendtrans-116.519.5-179-65.7-70.9000113.7V204 I205 R208 V329 D335 L336 V339 P340V204-F333 HydrophobicContact CG1-CE1 4.09Å; V204-F333 HydrophobicContact CG1-CZ 3.71Å; I205-F333 HydrophobicContact CG1-CE2 4.01Å; R208-F333 HydrophobicContact CB-CD1 4.45Å; R208-F333 HydrophobicContact CB-CE1 3.47Å; R208-F333 VanDerWaalsContact CB-CE1 3.47Å; R208-F333 HydrophobicContact CB-CE2 4.34Å; R208-F333 HydrophobicContact CB-CZ 3.39Å; R208-F333 HydrophobicContact CG-CD1 4Å; R208-F333 HydrophobicContact CG-CE1 3.49Å; R208-F333 VanDerWaalsContact CG-CE1 3.49Å; R208-F333 HydrophobicContact CG-CE2 4.47Å; R208-F333 HydrophobicContact CG-CZ 3.76Å; V329-F333 HydrophobicContact CG1-CD2 4.27Å; V329-F333 WeakPolarHBondContact O-CB 3.37Å; V329-F333 WeakPolarHBondContact O-CD2 3.36Å; V329-F333 PolarHBondContact O-N 3.42Å; F333-D335 PolarHBondContact O-N 3.35Å; F333-L336 HydrophobicContact CB-CB 4.32Å; F333-L336 HydrophobicContact CD1-CB 4.02Å; F333-L336 HydrophobicContact CD1-CD1 3.82Å; F333-L336 HydrophobicContact CE1-CD1 4.27Å; F333-L336 PolarHBondContact O-N 3.07Å; F333-V339 HydrophobicContact CB-CB 4.43Å; F333-V339 HydrophobicContact CD1-CB 3.83Å; F333-V339 HydrophobicContact CD1-CG1 3.6Å; F333-V339 HydrophobicContact CD1-CG2 4.3Å; F333-V339 HydrophobicContact CD2-CG1 3.93Å; F333-V339 HydrophobicContact CE1-CB 4.19Å; F333-V339 HydrophobicContact CE1-CG1 3.49Å; F333-V339 VanDerWaalsContact CE1-CG1 3.49Å; F333-V339 HydrophobicContact CE2-CG1 3.82Å; F333-V339 HydrophobicContact CG-CB 4.03Å; F333-V339 HydrophobicContact CG-CG1 3.85Å; F333-V339 HydrophobicContact CZ-CG1 3.61Å; F333-P340 HydrophobicContact CB-CG 4.03Å
334E88.9Confident91.7Very high152 Ų15230 Ų3071%0.7116%0.162SC*.THydrogen-bonded Turntrans-47.9-43.3175.4-170.5173.8-17500112.6L330 L336L330-E334 PolarHBondContact O-N 2.99Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.14Å
335D88.8Confident91.8Very high125 Ų12529.6 Ų29.667%0.66816%0.161SC*.THydrogen-bonded Turntrans-79.5-4.5178.5-47.9-59.2000115.2R208 F333 P337R208-D335 IonicContact NH2-OD2 3.01Å; R208-D335 PolarHBondContact NH2-OD2 3.07Å; F333-D335 PolarHBondContact O-N 3.35Å; D335-P337 WeakPolarHBondContact O-CD 3.43Å
336L90.8Very high91.8Very high72 Ų7229.6 Ų29.638%0.37716%0.161SC..  trans-129.175-162.7-71.2174.3000112.3F333 E334 V339 P340F333-L336 HydrophobicContact CB-CB 4.32Å; F333-L336 HydrophobicContact CD1-CB 4.02Å; F333-L336 HydrophobicContact CD1-CD1 3.82Å; F333-L336 HydrophobicContact CE1-CD1 4.27Å; F333-L336 PolarHBondContact O-N 3.07Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.14Å; L336-V339 HydrophobicContact CB-CG2 4.24Å; L336-V339 PolarHBondContact O-N 3.42Å; L336-P340 WeakPolarHBondContact O-CD 3.29Å
337P86.3Confident91.8Very high84 Ų8429.6 Ų29.655%0.54516%0.161SC..THydrogen-bonded Turntrans-62.6143.7-177.426.9-35.8000112.5W15 D335 V339W15-P337 HydrophobicContact CB-CB 4.27Å; W15-P337 HydrophobicContact CG-CB 4.48Å; D335-P337 WeakPolarHBondContact O-CD 3.43Å; P337-V339 VanDerWaalsContact C-N 3.34Å
338G88.3Confident91.7Very high9 Ų928.5 Ų28.59%0.09316%0.155CC..THydrogen-bonded Turntrans93.5-26-176.400000113.8D16 G341 L342D16-G338 VanDerWaalsContact OD1-C 3.24Å; D16-G338 WeakPolarHBondContact OD1-CA 3.2Å; D16-G338 PolarHBondContact OD1-N 2.98Å; G338-G341 PolarHBondContact O-N 3.49Å; G338-L342 PolarHBondContact O-N 3.5Å
339V89.4Confident91.7Very high36 Ų3628.5 Ų28.522%0.21816%0.155CC..Hα-helixtrans-74-39.7177.7-171.10000112.5V204 F333 L336 P337 G341 L342 F343V204-V339 HydrophobicContact CG1-CG1 3.51Å; F333-V339 HydrophobicContact CB-CB 4.43Å; F333-V339 HydrophobicContact CD1-CB 3.83Å; F333-V339 HydrophobicContact CD1-CG1 3.6Å; F333-V339 HydrophobicContact CD1-CG2 4.3Å; F333-V339 HydrophobicContact CD2-CG1 3.93Å; F333-V339 HydrophobicContact CE1-CB 4.19Å; F333-V339 HydrophobicContact CE1-CG1 3.49Å; F333-V339 VanDerWaalsContact CE1-CG1 3.49Å; F333-V339 HydrophobicContact CE2-CG1 3.82Å; F333-V339 HydrophobicContact CG-CB 4.03Å; F333-V339 HydrophobicContact CG-CG1 3.85Å; F333-V339 HydrophobicContact CZ-CG1 3.61Å; L336-V339 HydrophobicContact CB-CG2 4.24Å; L336-V339 PolarHBondContact O-N 3.42Å; P337-V339 VanDerWaalsContact C-N 3.34Å; V339-G341 PolarHBondContact O-N 3.37Å; V339-L342 VanDerWaalsContact O-CB 3.32Å; V339-L342 WeakPolarHBondContact O-CB 3.48Å; V339-L342 PolarHBondContact O-N 3.11Å; V339-F343 PolarHBondContact O-N 3Å
340P90.8Very high91.6Very high8 Ų828.4 Ų28.45%0.05215%0.154CC..Hα-helixtrans-54.2-39.7166.1-26.234000112.8F12 D16 V329 F333 L336 L342 F343 L344F12-P340 HydrophobicContact CD1-CB 3.93Å; F12-P340 HydrophobicContact CE1-CB 3.29Å; F12-P340 HydrophobicContact CZ-CB 3.9Å; F12-P340 WeakPolarHBondContact CZ-O 3.48Å; D16-P340 WeakPolarHBondContact OD1-CB 3.48Å; D16-P340 VanDerWaalsContact OD1-CD 3.23Å; D16-P340 WeakPolarHBondContact OD1-CD 3.3Å; V329-P340 HydrophobicContact CG1-CB 4.07Å; V329-P340 HydrophobicContact CG1-CG 4.45Å; F333-P340 HydrophobicContact CB-CG 4.03Å; L336-P340 WeakPolarHBondContact O-CD 3.29Å; P340-L342 VanDerWaalsContact C-N 3.3Å; P340-L342 PolarHBondContact O-N 2.85Å; P340-F343 WeakPolarHBondContact O-CB 3.4Å; P340-F343 PolarHBondContact O-N 3.34Å; P340-L344 PolarHBondContact O-N 2.97Å; P340-L344 VanDerWaalsContact O-N 3.12Å
341G92.3Very high91.6Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-58.5-35172.300000114.5D16 G338 V339 L344 A345D16-G341 WeakPolarHBondContact O-CA 3.44Å; D16-G341 PolarHBondContact OD1-N 3.41Å; G338-G341 PolarHBondContact O-N 3.49Å; V339-G341 PolarHBondContact O-N 3.37Å; G341-L344 PolarHBondContact O-N 3.18Å; G341-A345 WeakPolarHBondContact O-CB 3.43Å; G341-A345 PolarHBondContact O-N 3.35Å
342L93.4Very high91.5Very high37 Ų3725.5 Ų25.519%0.19414%0.139CC..Hα-helixtrans-67-34.8173.4176.465.4000112.2V19 V197 V200 V204 G338 V339 P340 A345 C346V19-L342 HydrophobicContact CG1-CB 4.15Å; V197-L342 HydrophobicContact CG1-CD1 4.5Å; V200-L342 HydrophobicContact CG1-CD2 4.23Å; V204-L342 HydrophobicContact CB-CD2 4.27Å; V204-L342 HydrophobicContact CG1-CD2 4.43Å; V204-L342 HydrophobicContact CG2-CD2 4.04Å; G338-L342 PolarHBondContact O-N 3.5Å; V339-L342 VanDerWaalsContact O-CB 3.32Å; V339-L342 WeakPolarHBondContact O-CB 3.48Å; V339-L342 PolarHBondContact O-N 3.11Å; P340-L342 VanDerWaalsContact C-N 3.3Å; P340-L342 PolarHBondContact O-N 2.85Å; L342-A345 WeakPolarHBondContact O-CB 3.31Å; L342-A345 PolarHBondContact O-N 3.39Å; L342-C346 WeakPolarHBondContact O-CB 3.3Å; L342-C346 PolarHBondContact O-N 3.39Å
343F91.8Very high91.4Very high3 Ų325.5 Ų25.51%0.01314%0.139CC..Hα-helixtrans-67.2-42.7173.2171.5-111000111.9V73 L74 I155 I205 M325 P326 V329 V339 P340 A345 C346 A347V73-F343 HydrophobicContact CG1-CD2 4.45Å; V73-F343 HydrophobicContact CG1-CE2 3.66Å; V73-F343 HydrophobicContact CG1-CZ 4.33Å; L74-F343 HydrophobicContact CD2-CZ 3.98Å; I155-F343 HydrophobicContact CD1-CE1 4.16Å; I155-F343 HydrophobicContact CD1-CZ 4.15Å; I155-F343 HydrophobicContact CG2-CD1 4.24Å; I155-F343 HydrophobicContact CG2-CE1 3.77Å; I205-F343 HydrophobicContact CD1-CB 4.33Å; I205-F343 HydrophobicContact CD1-CD2 3.58Å; I205-F343 HydrophobicContact CD1-CE2 4.28Å; I205-F343 HydrophobicContact CD1-CG 4.25Å; M325-F343 HydrophobicContact CB-CZ 4.27Å; M325-F343 HydrophobicContact CG-CE2 3.52Å; M325-F343 HydrophobicContact CG-CZ 3.52Å; M325-F343 HydrophobicContact SD-CE2 4.44Å; P326-F343 HydrophobicContact CB-CE1 4.3Å; P326-F343 HydrophobicContact CG-CE1 4.07Å; P326-F343 HydrophobicContact CG-CZ 4.39Å; V329-F343 HydrophobicContact CB-CD1 4.16Å; V329-F343 HydrophobicContact CB-CG 4.33Å; V329-F343 HydrophobicContact CG1-CB 3.8Å; V329-F343 HydrophobicContact CG1-CD1 4.05Å; V329-F343 HydrophobicContact CG1-CG 4.09Å; V329-F343 HydrophobicContact CG2-CB 4.05Å; V329-F343 HydrophobicContact CG2-CD1 3.87Å; V329-F343 HydrophobicContact CG2-CD2 3.95Å; V329-F343 HydrophobicContact CG2-CE1 4.31Å; V329-F343 HydrophobicContact CG2-CE2 4.37Å; V329-F343 HydrophobicContact CG2-CG 3.67Å; V339-F343 PolarHBondContact O-N 3Å; P340-F343 WeakPolarHBondContact O-CB 3.4Å; P340-F343 PolarHBondContact O-N 3.34Å; F343-A345 VanDerWaalsContact C-N 3.29Å; F343-A345 PolarHBondContact O-N 3Å; F343-C346 WeakPolarHBondContact O-CB 3.35Å; F343-C346 PolarHBondContact O-N 2.93Å; F343-C346 VanDerWaalsContact O-N 3.15Å; F343-A347 PolarHBondContact O-N 3.2Å
344L91.9Very high91.3Very high0 Ų025.1 Ų25.10%014%0.137CC..Hα-helixtrans-59.6-43173.3-171.869.5000110.8F12 F20 I155 L156 P340 G341 C346 A347 Y348F12-L344 HydrophobicContact CD2-CD2 4.36Å; F12-L344 HydrophobicContact CE2-CB 3.78Å; F12-L344 HydrophobicContact CE2-CD2 3.59Å; F12-L344 HydrophobicContact CE2-CG 4.25Å; F12-L344 HydrophobicContact CZ-CB 3.88Å; F12-L344 HydrophobicContact CZ-CD2 4.4Å; F20-L344 HydrophobicContact CB-CD2 4.25Å; F20-L344 HydrophobicContact CD1-CD2 3.65Å; F20-L344 HydrophobicContact CD2-CB 4.4Å; F20-L344 HydrophobicContact CD2-CD2 3.91Å; F20-L344 HydrophobicContact CD2-CG 3.93Å; F20-L344 HydrophobicContact CE1-CD2 3.89Å; F20-L344 HydrophobicContact CE2-CD2 4.16Å; F20-L344 HydrophobicContact CE2-CG 4.05Å; F20-L344 HydrophobicContact CG-CD2 3.66Å; F20-L344 HydrophobicContact CG-CG 4.19Å; F20-L344 HydrophobicContact CZ-CD2 4.14Å; F20-L344 HydrophobicContact CZ-CG 4.38Å; I155-L344 HydrophobicContact CB-CD1 4.17Å; I155-L344 HydrophobicContact CG2-CD1 3.68Å; L156-L344 HydrophobicContact CB-CD1 4.48Å; L156-L344 HydrophobicContact CD1-CD1 4.39Å; L156-L344 HydrophobicContact CD1-CD2 3.82Å; P340-L344 PolarHBondContact O-N 2.97Å; P340-L344 VanDerWaalsContact O-N 3.12Å; G341-L344 PolarHBondContact O-N 3.18Å; L344-C346 PolarHBondContact O-N 3.03Å; L344-A347 PolarHBondContact O-N 3.34Å; L344-Y348 HydrophobicContact CD1-CD2 3.83Å; L344-Y348 HydrophobicContact CD1-CE2 3.67Å; L344-Y348 HydrophobicContact CG-CD2 3.95Å; L344-Y348 HydrophobicContact CG-CE2 4.07Å; L344-Y348 WeakPolarHBondContact O-CB 3.28Å; L344-Y348 WeakPolarHBondContact O-CD2 3.5Å; L344-Y348 PolarHBondContact O-N 2.96Å
345A93.9Very high91.5Very high1 Ų117.9 Ų17.91%0.00810%0.104CC..Hα-helixtrans-61.3-38.6174.200000113.1F20 M23 V197 G341 L342 F343 S349F20-A345 HydrophobicContact CD2-CB 4.38Å; M23-A345 HydrophobicContact CB-CB 3.85Å; M23-A345 HydrophobicContact CG-CB 3.92Å; V197-A345 HydrophobicContact CG1-CB 4.12Å; G341-A345 WeakPolarHBondContact O-CB 3.43Å; G341-A345 PolarHBondContact O-N 3.35Å; L342-A345 WeakPolarHBondContact O-CB 3.31Å; L342-A345 PolarHBondContact O-N 3.39Å; F343-A345 VanDerWaalsContact C-N 3.29Å; F343-A345 PolarHBondContact O-N 3Å; A345-S349 VanDerWaalsContact O-CB 3.25Å; A345-S349 WeakPolarHBondContact O-CB 3.28Å; A345-S349 PolarHBondContact O-N 3.39Å; A345-S349 PolarHBondContact O-OG 3.33Å
346C93.5Very high91.5Very high0 Ų012 Ų120%07%0.072CC..Hα-helixtrans-61.5-50.1172.7166.20000111.7M198 L342 F343 L344 S349 G350M198-C346 VanDerWaalsContact CA-SG 3.59Å; M198-C346 WeakPolarHBondContact CG-O 3.19Å; L342-C346 WeakPolarHBondContact O-CB 3.3Å; L342-C346 PolarHBondContact O-N 3.39Å; F343-C346 WeakPolarHBondContact O-CB 3.35Å; F343-C346 PolarHBondContact O-N 2.93Å; F343-C346 VanDerWaalsContact O-N 3.15Å; L344-C346 PolarHBondContact O-N 3.03Å; C346-S349 WeakPolarHBondContact O-CB 3.29Å; C346-S349 PolarHBondContact O-N 3.02Å; C346-G350 PolarHBondContact O-N 2.83Å
347A92.7Very high91.5Very high0 Ų08.8 Ų8.80%06%0.056CC..Hα-helixtrans-65-45.8179.700000112.5A70 V73 I155 F343 L344 S349 G350 T351A70-A347 HydrophobicContact CB-CB 4.05Å; A70-A347 WeakPolarHBondContact CB-O 3.27Å; V73-A347 HydrophobicContact CG1-CB 4.21Å; I155-A347 HydrophobicContact CD1-CB 3.21Å; F343-A347 PolarHBondContact O-N 3.2Å; L344-A347 PolarHBondContact O-N 3.34Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.08Å; A347-G350 PolarHBondContact O-N 3.5Å; A347-T351 PolarHBondContact O-N 3.15Å; A347-T351 VanDerWaalsContact O-N 3.1Å
348Y92.3Very high91.8Very high0 Ų05 Ų50%03%0.031CC..Hα-helixtrans-63.1-33.3175-92.7-103.5000112.7F20 P152 T171 I174 L344 G350 T351 L352F20-Y348 AromaticContact CE2-CD1 3.86Å; F20-Y348 HydrophobicContact CE2-CD1 3.86Å; F20-Y348 AromaticContact CE2-CD2 3.65Å; F20-Y348 HydrophobicContact CE2-CD2 3.65Å; F20-Y348 HydrophobicContact CE2-CE1 4.34Å; F20-Y348 HydrophobicContact CE2-CE2 4.17Å; F20-Y348 AromaticContact CE2-CG 3.47Å; F20-Y348 HydrophobicContact CE2-CG 3.47Å; F20-Y348 VanDerWaalsContact CE2-CG 3.47Å; F20-Y348 AromaticContact CZ-CD1 3.71Å; F20-Y348 HydrophobicContact CZ-CD1 3.71Å; F20-Y348 AromaticContact CZ-CD2 3.81Å; F20-Y348 HydrophobicContact CZ-CD2 3.81Å; F20-Y348 AromaticContact CZ-CE1 3.74Å; F20-Y348 HydrophobicContact CZ-CE1 3.74Å; F20-Y348 AromaticContact CZ-CE2 3.85Å; F20-Y348 HydrophobicContact CZ-CE2 3.85Å; F20-Y348 AromaticContact CZ-CG 3.74Å; F20-Y348 HydrophobicContact CZ-CG 3.74Å; F20-Y348 AromaticContact CZ-CZ 3.8Å; P152-Y348 HydrophobicContact CB-CD2 3.73Å; P152-Y348 HydrophobicContact CB-CE2 3.66Å; P152-Y348 HydrophobicContact CB-CG 4.37Å; T171-Y348 HydrophobicContact CG2-CE1 4.08Å; T171-Y348 PolarHBondContact OG1-OH 3.24Å; I174-Y348 HydrophobicContact CD1-CE1 4.17Å; I174-Y348 HydrophobicContact CG2-CD1 4.49Å; I174-Y348 HydrophobicContact CG2-CE1 4.36Å; L344-Y348 HydrophobicContact CD1-CD2 3.83Å; L344-Y348 HydrophobicContact CD1-CE2 3.67Å; L344-Y348 HydrophobicContact CG-CD2 3.95Å; L344-Y348 HydrophobicContact CG-CE2 4.07Å; L344-Y348 WeakPolarHBondContact O-CB 3.28Å; L344-Y348 WeakPolarHBondContact O-CD2 3.5Å; L344-Y348 PolarHBondContact O-N 2.96Å; Y348-G350 PolarHBondContact O-N 2.97Å; Y348-T351 PolarHBondContact O-N 3.5Å; Y348-L352 VanDerWaalsContact O-CB 3.24Å; Y348-L352 WeakPolarHBondContact O-CB 3.25Å; Y348-L352 VanDerWaalsContact O-CG 3.23Å; Y348-L352 WeakPolarHBondContact O-CG 3.37Å; Y348-L352 PolarHBondContact O-N 2.86Å
349S92.8Very high92Very high0 Ų04.6 Ų4.60%03%0.026CC..Hα-helixtrans-56.3-49.8173.7-69.10000111.4M23 Q194 V197 A345 C346 A347 S353M23-S349 WeakPolarHBondContact CE-OG 3.45Å; Q194-S349 PolarHBondContact OE1-O 2.81Å; V197-S349 WeakPolarHBondContact CG1-OG 3.41Å; A345-S349 VanDerWaalsContact O-CB 3.25Å; A345-S349 WeakPolarHBondContact O-CB 3.28Å; A345-S349 PolarHBondContact O-N 3.39Å; A345-S349 PolarHBondContact O-OG 3.33Å; C346-S349 WeakPolarHBondContact O-CB 3.29Å; C346-S349 PolarHBondContact O-N 3.02Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.08Å; S349-S353 PolarHBondContact O-N 3.32Å; S349-S353 VanDerWaalsContact O-N 3.16Å
350G91.8Very high91.9Very high0 Ų03.1 Ų3.10%02%0.018CC..Hα-helixtrans-62.1-49.1176.400000112.5M68 C346 A347 Y348 S353 T354M68-G350 WeakPolarHBondContact O-CA 3.22Å; C346-G350 PolarHBondContact O-N 2.83Å; A347-G350 PolarHBondContact O-N 3.5Å; Y348-G350 PolarHBondContact O-N 2.97Å; G350-S353 PolarHBondContact O-N 3.12Å; G350-T354 PolarHBondContact O-N 2.98Å; G350-T354 PolarHBondContact O-OG1 3.31Å
351T92.4Very high91.9Very high0 Ų02.8 Ų2.80%02%0.016CC..Hα-helixtrans-66-39.1-179.2-75.30000113.2A70 V148 I149 P152 A347 Y348 T354 A355A70-T351 WeakPolarHBondContact CB-OG1 3.37Å; A70-T351 PolarHBondContact N-OG1 3.36Å; V148-T351 HydrophobicContact CG1-CG2 3.92Å; V148-T351 VanDerWaalsContact O-CG2 3.25Å; V148-T351 WeakPolarHBondContact O-CG2 3.46Å; V148-T351 PolarHBondContact O-OG1 2.86Å; I149-T351 HydrophobicContact CG1-CG2 4.44Å; P152-T351 HydrophobicContact CG-CG2 3.73Å; A347-T351 PolarHBondContact O-N 3.15Å; A347-T351 VanDerWaalsContact O-N 3.1Å; Y348-T351 PolarHBondContact O-N 3.5Å; T351-T354 PolarHBondContact O-N 3.25Å; T351-A355 WeakPolarHBondContact O-CB 3.41Å; T351-A355 PolarHBondContact O-N 2.83Å
352L91.4Very high92.1Very high0 Ų02.8 Ų2.80%02%0.016CC..Hα-helixtrans-64.8-40.4177.6-74.9170.7000112M23 L24 I174 C175 Y178 Y348 S356M23-L352 HydrophobicContact CE-CD1 3.98Å; L24-L352 HydrophobicContact CD2-CD1 3.73Å; I174-L352 HydrophobicContact CG2-CD2 4.17Å; C175-L352 HydrophobicContact CB-CD2 4.38Å; Y178-L352 HydrophobicContact CD1-CB 4.28Å; Y178-L352 HydrophobicContact CD1-CD2 3.82Å; Y178-L352 HydrophobicContact CE1-CB 4.04Å; Y178-L352 HydrophobicContact CE1-CD2 4.4Å; Y178-L352 HydrophobicContact CG-CD2 3.91Å; Y348-L352 VanDerWaalsContact O-CB 3.24Å; Y348-L352 WeakPolarHBondContact O-CB 3.25Å; Y348-L352 VanDerWaalsContact O-CG 3.23Å; Y348-L352 WeakPolarHBondContact O-CG 3.37Å; Y348-L352 PolarHBondContact O-N 2.86Å; L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.31Å; L352-S356 PolarHBondContact O-N 3.4Å; L352-S356 PolarHBondContact O-OG 2.78Å
353S91.9Very high92Very high0 Ų01 Ų10%01%0.006CC..Hα-helixtrans-59.9-52.1173-1740000111.3A65 S66 D191 S349 G350 S356 T357A65-S353 WeakPolarHBondContact CB-OG 3.12Å; S66-S353 WeakPolarHBondContact CA-OG 3.24Å; S66-S353 PolarHBondContact N-OG 3.15Å; S66-S353 PolarHBondContact OG-OG 2.87Å; D191-S353 WeakPolarHBondContact OD1-CA 3.13Å; D191-S353 VanDerWaalsContact OD1-CB 3.22Å; D191-S353 WeakPolarHBondContact OD1-CB 3.27Å; D191-S353 PolarHBondContact OD1-OG 2.78Å; D191-S353 PolarHBondContact OD2-OG 3.42Å; S349-S353 PolarHBondContact O-N 3.32Å; S349-S353 VanDerWaalsContact O-N 3.16Å; G350-S353 PolarHBondContact O-N 3.12Å; S353-S356 PolarHBondContact O-OG 3.21Å; S353-T357 VanDerWaalsContact O-CB 3.26Å; S353-T357 WeakPolarHBondContact O-CB 3.43Å; S353-T357 PolarHBondContact O-N 2.94Å; S353-T357 VanDerWaalsContact O-N 3.11Å; S353-T357 PolarHBondContact O-OG1 3.06Å
354T92.6Very high91.9Very high1 Ų10.9 Ų0.91%0.0061%0.006CC..Hα-helixtrans-63.2-49.2-179.9-610000112.7S66 S69 Y144 V148 G350 T351 T357 S358S66-T354 WeakPolarHBondContact O-CB 3.29Å; S66-T354 WeakPolarHBondContact O-CG2 3.39Å; S66-T354 PolarHBondContact O-OG1 3Å; S69-T354 VanDerWaalsContact CB-OG1 3.3Å; S69-T354 WeakPolarHBondContact CB-OG1 3.26Å; Y144-T354 HydrophobicContact CD1-CG2 4.38Å; Y144-T354 HydrophobicContact CE1-CG2 3.48Å; Y144-T354 VanDerWaalsContact CE1-CG2 3.48Å; V148-T354 HydrophobicContact CB-CG2 4.33Å; V148-T354 HydrophobicContact CG1-CG2 3.76Å; V148-T354 HydrophobicContact CG2-CG2 4.09Å; G350-T354 PolarHBondContact O-N 2.98Å; G350-T354 PolarHBondContact O-OG1 3.31Å; T351-T354 PolarHBondContact O-N 3.25Å; T354-T357 PolarHBondContact O-N 2.98Å; T354-S358 WeakPolarHBondContact O-CB 3.33Å; T354-S358 PolarHBondContact O-N 2.88Å; T354-S358 PolarHBondContact O-OG 3Å
355A91.8Very high92Very high0 Ų00.9 Ų0.90%01%0.006CC..Hα-helixtrans-63.3-46.9-176.700000111.5T145 C175 T351 T357 S358 I359T145-A355 HydrophobicContact CG2-CB 4.07Å; C175-A355 HydrophobicContact CB-CB 4.23Å; T351-A355 WeakPolarHBondContact O-CB 3.41Å; T351-A355 PolarHBondContact O-N 2.83Å; A355-T357 VanDerWaalsContact C-N 3.29Å; A355-T357 PolarHBondContact O-N 3.36Å; A355-S358 PolarHBondContact O-N 3.14Å; A355-I359 HydrophobicContact CB-CD1 4.5Å; A355-I359 VanDerWaalsContact O-CB 3.28Å; A355-I359 WeakPolarHBondContact O-CB 3.28Å; A355-I359 WeakPolarHBondContact O-CD1 3.25Å; A355-I359 VanDerWaalsContact O-CG1 3.26Å; A355-I359 WeakPolarHBondContact O-CG1 3.34Å; A355-I359 PolarHBondContact O-N 3.47Å
356S89.7Confident92.1Very high0 Ų01.3 Ų1.30%01%0.008CC..Hα-helixtrans-62.6-37.7178.463.60000112.7T179 L352 S353 N360T179-S356 VanDerWaalsContact OG1-CA 3.22Å; T179-S356 WeakPolarHBondContact OG1-CA 3.46Å; T179-S356 WeakPolarHBondContact OG1-CB 3.4Å; L352-S356 VanDerWaalsContact O-CB 3.25Å; L352-S356 WeakPolarHBondContact O-CB 3.31Å; L352-S356 PolarHBondContact O-N 3.4Å; L352-S356 PolarHBondContact O-OG 2.78Å; S353-S356 PolarHBondContact O-OG 3.21Å; S356-N360 WeakPolarHBondContact O-CB 3.42Å; S356-N360 PolarHBondContact O-N 3.42Å
357T90.8Very high92.1Very high6 Ų61.3 Ų1.34%0.0371%0.008CC..Hα-helixtrans-65.9-53.3176.2-59.10000112.2S66 A264 R268 S353 T354 A355 I359 N360 A361S66-T357 PolarHBondContact OG-OG1 3.38Å; S66-T357 VanDerWaalsContact OG-OG1 3.04Å; A264-T357 HydrophobicContact CB-CG2 3.78Å; R268-T357 PolarHBondContact NH2-OG1 3.19Å; S353-T357 VanDerWaalsContact O-CB 3.26Å; S353-T357 WeakPolarHBondContact O-CB 3.43Å; S353-T357 PolarHBondContact O-N 2.94Å; S353-T357 VanDerWaalsContact O-N 3.11Å; S353-T357 PolarHBondContact O-OG1 3.06Å; T354-T357 PolarHBondContact O-N 2.98Å; A355-T357 VanDerWaalsContact C-N 3.29Å; A355-T357 PolarHBondContact O-N 3.36Å; T357-I359 PolarHBondContact O-N 3.12Å; T357-N360 PolarHBondContact O-N 3.21Å; T357-A361 VanDerWaalsContact O-CB 3.23Å; T357-A361 WeakPolarHBondContact O-CB 3.48Å; T357-A361 PolarHBondContact O-N 3.41Å
358S92.3Very high92Very high4 Ų42 Ų23%0.0281%0.011CC..Hα-helixtrans-56.9-49.9178.8-74.20000111.9T145 T354 A355 A361 M362T145-S358 WeakPolarHBondContact OG1-CB 3.44Å; T145-S358 PolarHBondContact OG1-OG 2.9Å; T354-S358 WeakPolarHBondContact O-CB 3.33Å; T354-S358 PolarHBondContact O-N 2.88Å; T354-S358 PolarHBondContact O-OG 3Å; A355-S358 PolarHBondContact O-N 3.14Å; S358-A361 PolarHBondContact O-N 3.11Å; S358-M362 WeakPolarHBondContact O-CB 3.4Å; S358-M362 VanDerWaalsContact O-CG 3.29Å; S358-M362 WeakPolarHBondContact O-CG 3.2Å; S358-M362 PolarHBondContact O-N 2.79Å
359I91.6Very high92.1Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-67.1-43.1-177.4-70165.3000111.2T179 A355 T357 A361 M362 A363 S391T179-I359 HydrophobicContact CG2-CB 3.82Å; T179-I359 HydrophobicContact CG2-CD1 4.47Å; T179-I359 HydrophobicContact CG2-CG2 3.56Å; A355-I359 HydrophobicContact CB-CD1 4.5Å; A355-I359 VanDerWaalsContact O-CB 3.28Å; A355-I359 WeakPolarHBondContact O-CB 3.28Å; A355-I359 WeakPolarHBondContact O-CD1 3.25Å; A355-I359 VanDerWaalsContact O-CG1 3.26Å; A355-I359 WeakPolarHBondContact O-CG1 3.34Å; A355-I359 PolarHBondContact O-N 3.47Å; T357-I359 PolarHBondContact O-N 3.12Å; I359-A361 VanDerWaalsContact C-N 3.34Å; I359-A361 PolarHBondContact O-N 3.35Å; I359-M362 HydrophobicContact CG1-CE 4.1Å; I359-M362 PolarHBondContact O-N 3.05Å; I359-A363 WeakPolarHBondContact O-CB 3.27Å; I359-A363 PolarHBondContact O-N 3.35Å; I359-S391 VanDerWaalsContact CG2-O 3.32Å; I359-S391 WeakPolarHBondContact CG2-O 3.24Å
360N88.2Confident92.2Very high6 Ų64.5 Ų4.53%0.0322%0.024CC..Hα-helixtrans-62.9-39.8174.8174.273.2000112.1F47 Q267 S356 T357 A363 A364F47-N360 WeakPolarHBondContact CE1-OD1 3.09Å; Q267-N360 PolarHBondContact NE2-ND2 3.01Å; S356-N360 WeakPolarHBondContact O-CB 3.42Å; S356-N360 PolarHBondContact O-N 3.42Å; T357-N360 PolarHBondContact O-N 3.21Å; N360-A363 PolarHBondContact O-N 2.93Å; N360-A364 WeakPolarHBondContact O-CB 3.35Å; N360-A364 PolarHBondContact O-N 2.85Å
361A91.9Very high92.4Very high1 Ų16.1 Ų6.11%0.0083%0.033CC..Hα-helixtrans-69.5-41.3177.500000112.3Y137 Q263 A264 T357 S358 I359 A363 A364 V365Y137-A361 WeakPolarHBondContact OH-CB 3.33Å; Q263-A361 HydrophobicContact CG-CB 3.91Å; A264-A361 HydrophobicContact CB-CB 4.15Å; T357-A361 VanDerWaalsContact O-CB 3.23Å; T357-A361 WeakPolarHBondContact O-CB 3.48Å; T357-A361 PolarHBondContact O-N 3.41Å; S358-A361 PolarHBondContact O-N 3.11Å; I359-A361 VanDerWaalsContact C-N 3.34Å; I359-A361 PolarHBondContact O-N 3.35Å; A361-A363 VanDerWaalsContact C-N 3.35Å; A361-A363 PolarHBondContact O-N 3.12Å; A361-A364 WeakPolarHBondContact O-CB 3.37Å; A361-A364 PolarHBondContact O-N 2.96Å; A361-V365 WeakPolarHBondContact O-CG2 3.36Å; A361-V365 PolarHBondContact O-N 2.82Å
362M94.5Very high92.3Very high0 Ų09.2 Ų9.20%05%0.046CC..Hα-helixtrans-61.5-40.8172-70.7-171.6-71.200112.2Y137 L138 T141 M142 S358 I359 T366 Y394Y137-M362 HydrophobicContact CE1-CG 4.03Å; L138-M362 HydrophobicContact CD2-CB 3.74Å; L138-M362 HydrophobicContact CD2-CG 3.77Å; L138-M362 HydrophobicContact CD2-SD 4.37Å; T141-M362 HydrophobicContact CG2-CE 3.98Å; T141-M362 HydrophobicContact CG2-CG 3.71Å; T141-M362 HydrophobicContact CG2-SD 3.71Å; M142-M362 HydrophobicContact CG-SD 3.82Å; S358-M362 WeakPolarHBondContact O-CB 3.4Å; S358-M362 VanDerWaalsContact O-CG 3.29Å; S358-M362 WeakPolarHBondContact O-CG 3.2Å; S358-M362 PolarHBondContact O-N 2.79Å; I359-M362 HydrophobicContact CG1-CE 4.1Å; I359-M362 PolarHBondContact O-N 3.05Å; M362-T366 WeakPolarHBondContact O-CB 3.4Å; M362-T366 PolarHBondContact O-N 2.87Å; M362-T366 PolarHBondContact O-OG1 3Å; M362-Y394 HydrophobicContact CB-CD1 4.43Å; M362-Y394 HydrophobicContact CB-CD2 3.69Å; M362-Y394 HydrophobicContact CB-CE2 3.78Å; M362-Y394 HydrophobicContact CB-CG 4.06Å; M362-Y394 HydrophobicContact CE-CD1 4.44Å; M362-Y394 HydrophobicContact CE-CG 4.18Å; M362-Y394 HydrophobicContact SD-CD1 4.26Å; M362-Y394 HydrophobicContact SD-CG 4.44Å
363A92.2Very high92.2Very high0 Ų011.5 Ų11.50%06%0.061CC..Hα-helixtrans-62.7-42173.200000111.9F48 I359 N360 A361 V367 L390F48-A363 HydrophobicContact CE1-CB 4.43Å; I359-A363 WeakPolarHBondContact O-CB 3.27Å; I359-A363 PolarHBondContact O-N 3.35Å; N360-A363 PolarHBondContact O-N 2.93Å; A361-A363 VanDerWaalsContact C-N 3.35Å; A361-A363 PolarHBondContact O-N 3.12Å; A363-V367 WeakPolarHBondContact O-CG2 3.34Å; A363-V367 PolarHBondContact O-N 3.34Å; A363-L390 HydrophobicContact CB-CB 3.96Å
364A89.9Confident92.2Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-61.1-52176.200000112.2F48 N360 A361 T366 V367 E368F48-A364 HydrophobicContact CD1-CB 3.52Å; F48-A364 HydrophobicContact CD2-CB 4.34Å; F48-A364 HydrophobicContact CE1-CB 3.6Å; F48-A364 HydrophobicContact CE2-CB 4.4Å; F48-A364 HydrophobicContact CG-CB 3.91Å; F48-A364 HydrophobicContact CZ-CB 4.04Å; N360-A364 WeakPolarHBondContact O-CB 3.35Å; N360-A364 PolarHBondContact O-N 2.85Å; A361-A364 WeakPolarHBondContact O-CB 3.37Å; A361-A364 PolarHBondContact O-N 2.96Å; A364-T366 VanDerWaalsContact C-N 3.35Å; A364-T366 PolarHBondContact O-N 2.84Å; A364-V367 PolarHBondContact O-N 3.2Å; A364-E368 WeakPolarHBondContact O-CG 3.4Å; A364-E368 PolarHBondContact O-N 3.39Å
365V94.5Very high92.2Very high0 Ų024.3 Ų24.30%012%0.115CC..Hα-helixtrans-56.4-48.5178.61700000110.8Y118 T134 Y137 Q263 A361 V367 E368 D369Y118-V365 HydrophobicContact CD2-CG1 4.1Å; Y118-V365 HydrophobicContact CD2-CG2 4.26Å; Y118-V365 HydrophobicContact CE2-CG1 4.37Å; Y118-V365 HydrophobicContact CE2-CG2 4.08Å; T134-V365 HydrophobicContact CG2-CG1 3.61Å; Y137-V365 HydrophobicContact CD1-CB 4.33Å; Y137-V365 HydrophobicContact CD1-CG1 4.16Å; Y137-V365 HydrophobicContact CD1-CG2 3.91Å; Y137-V365 HydrophobicContact CE1-CB 4.24Å; Y137-V365 HydrophobicContact CE1-CG2 3.68Å; Q263-V365 HydrophobicContact CB-CG2 3.99Å; Q263-V365 HydrophobicContact CG-CG2 3.55Å; A361-V365 WeakPolarHBondContact O-CG2 3.36Å; A361-V365 PolarHBondContact O-N 2.82Å; V365-V367 VanDerWaalsContact C-N 3.35Å; V365-V367 PolarHBondContact O-N 3.27Å; V365-E368 PolarHBondContact O-N 2.86Å; V365-D369 WeakPolarHBondContact CG1-OD2 3.36Å; V365-D369 VanDerWaalsContact O-CB 3.22Å; V365-D369 WeakPolarHBondContact O-CB 3.39Å; V365-D369 PolarHBondContact O-N 3.05Å
366T95.3Very high91.8Very high9 Ų929.7 Ų29.76%0.05515%0.15CC..Hα-helixtrans-64.6-37.8-179.7-71.90000112.8M362 A364 L370 I371 L390 Y394M362-T366 WeakPolarHBondContact O-CB 3.4Å; M362-T366 PolarHBondContact O-N 2.87Å; M362-T366 PolarHBondContact O-OG1 3Å; A364-T366 VanDerWaalsContact C-N 3.35Å; A364-T366 PolarHBondContact O-N 2.84Å; T366-L370 HydrophobicContact CG2-CB 4.5Å; T366-L370 HydrophobicContact CG2-CD1 4.22Å; T366-L370 WeakPolarHBondContact O-CB 3.41Å; T366-L370 PolarHBondContact O-N 3.3Å; T366-L370 VanDerWaalsContact O-N 3.1Å; T366-I371 HydrophobicContact CG2-CD1 4.24Å; T366-I371 HydrophobicContact CG2-CG1 4.48Å; T366-I371 PolarHBondContact O-N 3.03Å; T366-I371 VanDerWaalsContact O-N 3.11Å; T366-L390 HydrophobicContact CG2-CD1 3.75Å; T366-L390 HydrophobicContact CG2-CD2 3.81Å; T366-L390 HydrophobicContact CG2-CG 4.45Å; T366-Y394 WeakPolarHBondContact CB-OH 3.37Å; T366-Y394 PolarHBondContact OG1-OH 2.95Å
367V92.8Very high91.6Very high0 Ų035.4 Ų35.40%019%0.19CC..Iπ-helixtrans-63.5-48.1173168.80000111.5F48 A363 A364 V365 I371 K372 L383 I386 L390F48-V367 HydrophobicContact CE2-CB 4.28Å; F48-V367 HydrophobicContact CE2-CG1 4.26Å; F48-V367 HydrophobicContact CE2-CG2 4.47Å; F48-V367 HydrophobicContact CZ-CB 4.42Å; F48-V367 HydrophobicContact CZ-CG2 4.27Å; A363-V367 WeakPolarHBondContact O-CG2 3.34Å; A363-V367 PolarHBondContact O-N 3.34Å; A364-V367 PolarHBondContact O-N 3.2Å; V365-V367 VanDerWaalsContact C-N 3.35Å; V365-V367 PolarHBondContact O-N 3.27Å; V367-I371 HydrophobicContact CG2-CD1 4.41Å; V367-K372 HydrophobicContact CG1-CD 4.32Å; V367-K372 HydrophobicContact CG1-CG 4.2Å; V367-K372 WeakPolarHBondContact O-CB 3.49Å; V367-K372 WeakPolarHBondContact O-CG 3.34Å; V367-K372 PolarHBondContact O-N 3Å; V367-L383 HydrophobicContact CG1-CD2 4.1Å; V367-I386 HydrophobicContact CG2-CG2 4.31Å; V367-L390 HydrophobicContact CG2-CD1 3.77Å
368E91.6Very high91.4Very high14 Ų1436.6 Ų36.67%0.06520%0.196CC..Iπ-helixtrans-72.6-39.5-176.6-67.5-52.9135.700114.2T115 Q119 R130 A364 V365 K372 P373T115-E368 HydrophobicContact CG2-CG 3.64Å; Q119-E368 PolarHBondContact NE2-OE2 2.97Å; R130-E368 PolarHBondContact NH2-O 3.49Å; A364-E368 WeakPolarHBondContact O-CG 3.4Å; A364-E368 PolarHBondContact O-N 3.39Å; V365-E368 PolarHBondContact O-N 2.86Å; E368-K372 VanDerWaalsContact CD-NZ 3.35Å; E368-K372 VanDerWaalsContact OE1-CE 3.28Å; E368-K372 WeakPolarHBondContact OE1-CE 3.45Å; E368-K372 IonicContact OE1-NZ 2.63Å; E368-K372 PolarHBondContact OE1-NZ 3.32Å; E368-K372 WeakPolarHBondContact OE2-CD 3.29Å; E368-K372 IonicContact OE2-NZ 3.28Å; E368-K372 PolarHBondContact OE2-NZ 3.2Å; E368-P373 WeakPolarHBondContact O-CD 3.43Å; E368-P373 WeakPolarHBondContact O-CG 3.46Å
369D94.7Very high91.1Very high1 Ų138.8 Ų38.81%0.00521%0.214CC..Iπ-helixtrans-100-27.6-166.9-60.4-25.5000113.1S116 R130 T134 V365S116-D369 VanDerWaalsContact CB-OD1 3.26Å; S116-D369 WeakPolarHBondContact CB-OD1 3.19Å; S116-D369 WeakPolarHBondContact CB-OD2 2.99Å; S116-D369 VanDerWaalsContact OG-CG 3.28Å; S116-D369 PolarHBondContact OG-OD1 3.06Å; S116-D369 PolarHBondContact OG-OD2 3.19Å; R130-D369 IonicContact CZ-OD1 2.67Å; R130-D369 IonicContact NE-OD1 2.71Å; R130-D369 PolarHBondContact NE-OD1 3.07Å; R130-D369 IonicContact NH2-OD1 2.63Å; R130-D369 PolarHBondContact NH2-OD1 3.5Å; T134-D369 HydrophobicContact CG2-CB 4.22Å; T134-D369 PolarHBondContact OG1-OD2 2.85Å; V365-D369 WeakPolarHBondContact CG1-OD2 3.36Å; V365-D369 VanDerWaalsContact O-CB 3.22Å; V365-D369 WeakPolarHBondContact O-CB 3.39Å; V365-D369 PolarHBondContact O-N 3.05Å
370L95.2Very high90.6Very high52 Ų5242.2 Ų42.227%0.27224%0.236SC..Iπ-helixtrans-114.2-36.5-175.2-54.5-180000113.8L131 T134 T366 R374L131-L370 HydrophobicContact CD2-CD2 3.54Å; T134-L370 HydrophobicContact CG2-CD2 4.46Å; T134-L370 HydrophobicContact CG2-CG 4.44Å; T366-L370 HydrophobicContact CG2-CB 4.5Å; T366-L370 HydrophobicContact CG2-CD1 4.22Å; T366-L370 WeakPolarHBondContact O-CB 3.41Å; T366-L370 PolarHBondContact O-N 3.3Å; T366-L370 VanDerWaalsContact O-N 3.1Å; L370-R374 PolarHBondContact O-NH1 3.33Å
371I94.1Very high90.3Very high34 Ų3451.9 Ų51.917%0.17427%0.272CS..Iπ-helixtrans-94.2-63-173.7-58.2178.8000111.9T366 V367 P373 R374 M375 L378 I386 L390T366-I371 HydrophobicContact CG2-CD1 4.24Å; T366-I371 HydrophobicContact CG2-CG1 4.48Å; T366-I371 PolarHBondContact O-N 3.03Å; T366-I371 VanDerWaalsContact O-N 3.11Å; V367-I371 HydrophobicContact CG2-CD1 4.41Å; I371-P373 VanDerWaalsContact C-CD 3.44Å; I371-P373 VanDerWaalsContact C-N 3.33Å; I371-R374 PolarHBondContact O-N 3.01Å; I371-M375 PolarHBondContact O-N 2.84Å; I371-L378 HydrophobicContact CG2-CD1 3.71Å; I371-I386 HydrophobicContact CD1-CG2 3.58Å; I371-L390 HydrophobicContact CD1-CD1 4.03Å
372K90.8Very high90.1Very high66 Ų6658.1 Ų58.129%0.28730%0.299SS..THydrogen-bonded Turntrans-51.7-41.1-179.1-78.3-178.8175.1-178.90113.8V367 E368 R374 M375 P376V367-K372 HydrophobicContact CG1-CD 4.32Å; V367-K372 HydrophobicContact CG1-CG 4.2Å; V367-K372 WeakPolarHBondContact O-CB 3.49Å; V367-K372 WeakPolarHBondContact O-CG 3.34Å; V367-K372 PolarHBondContact O-N 3Å; E368-K372 VanDerWaalsContact CD-NZ 3.35Å; E368-K372 VanDerWaalsContact OE1-CE 3.28Å; E368-K372 WeakPolarHBondContact OE1-CE 3.45Å; E368-K372 IonicContact OE1-NZ 2.63Å; E368-K372 PolarHBondContact OE1-NZ 3.32Å; E368-K372 WeakPolarHBondContact OE2-CD 3.29Å; E368-K372 IonicContact OE2-NZ 3.28Å; E368-K372 PolarHBondContact OE2-NZ 3.2Å; K372-R374 PolarHBondContact O-N 3.06Å; K372-R374 VanDerWaalsContact O-N 3.14Å; K372-M375 CarbonylContact O-C 3.52Å; K372-M375 PolarHBondContact O-N 2.96Å; K372-P376 WeakPolarHBondContact O-CA 3.08Å
373P90.4Very high89.7Confident48 Ų4858.8 Ų58.831%0.31230%0.303SS..THydrogen-bonded Turntrans-71.1-4.6178.9-21.136.4000114.8E368 I371E368-P373 WeakPolarHBondContact O-CD 3.43Å; E368-P373 WeakPolarHBondContact O-CG 3.46Å; I371-P373 VanDerWaalsContact C-CD 3.44Å; I371-P373 VanDerWaalsContact C-N 3.33Å
374R91.5Very high89.1Confident168 Ų16859.5 Ų59.563%0.63431%0.307SS*.THydrogen-bonded Turntrans-112.2-25171.1-66-175.5174.897.8-7.4112.5L370 I371 K372L370-R374 PolarHBondContact O-NH1 3.33Å; I371-R374 PolarHBondContact O-N 3.01Å; K372-R374 PolarHBondContact O-N 3.06Å; K372-R374 VanDerWaalsContact O-N 3.14Å
375M91.4Very high88.9Confident101 Ų10167.1 Ų67.150%0.49834%0.34SS..  trans-136.767.2-174.3-57.3-17776.600110.9I371 K372 S377 L378I371-M375 PolarHBondContact O-N 2.84Å; K372-M375 CarbonylContact O-C 3.52Å; K372-M375 PolarHBondContact O-N 2.96Å; M375-S377 VanDerWaalsContact C-N 3.28Å; M375-S377 PolarHBondContact O-N 3.32Å; M375-L378 HydrophobicContact CB-CD1 3.63Å; M375-L378 HydrophobicContact CB-CG 3.87Å; M375-L378 HydrophobicContact CE-CD1 4.39Å; M375-L378 HydrophobicContact CE-CD2 4.06Å; M375-L378 HydrophobicContact CE-CG 4.39Å; M375-L378 HydrophobicContact SD-CD1 4.22Å
376P83.7Confident88.8Confident114 Ų11469.8 Ų69.874%0.7435%0.354SS*.THydrogen-bonded Turntrans-68.8-23.9-172.527.2-35.5000113.8K372 L378K372-P376 WeakPolarHBondContact O-CA 3.08Å; P376-L378 VanDerWaalsContact C-N 3.32Å; P376-L378 PolarHBondContact O-N 3.1Å
377S85.6Confident88.3Confident119 Ų11969.3 Ų69.383%0.83235%0.351SS*.THydrogen-bonded Turntrans-86.612.8-176.854.40000114.8M375 A379M375-S377 VanDerWaalsContact C-N 3.28Å; M375-S377 PolarHBondContact O-N 3.32Å; S377-A379 PolarHBondContact O-N 2.87Å
378L86.9Confident87.9Confident31 Ų3172.4 Ų72.416%0.16237%0.365CS..  trans-67.8118.1179.6-78.4171.7000112.1I371 M375 P376 K382 L383 I386I371-L378 HydrophobicContact CG2-CD1 3.71Å; M375-L378 HydrophobicContact CB-CD1 3.63Å; M375-L378 HydrophobicContact CB-CG 3.87Å; M375-L378 HydrophobicContact CE-CD1 4.39Å; M375-L378 HydrophobicContact CE-CD2 4.06Å; M375-L378 HydrophobicContact CE-CG 4.39Å; M375-L378 HydrophobicContact SD-CD1 4.22Å; P376-L378 VanDerWaalsContact C-N 3.32Å; P376-L378 PolarHBondContact O-N 3.1Å; L378-K382 HydrophobicContact CD2-CD 4.41Å; L378-L383 HydrophobicContact CB-CD2 3.85Å; L378-L383 HydrophobicContact CB-CG 3.97Å; L378-L383 HydrophobicContact CD1-CD2 3.89Å; L378-I386 HydrophobicContact CD1-CD1 4.04Å
379A85.8Confident87.9Confident50 Ų5073.3 Ų73.341%0.41338%0.378SS..  trans-55.3141.117700000112.3S377 R381 K382 L383S377-A379 PolarHBondContact O-N 2.87Å; A379-R381 VanDerWaalsContact C-N 3.27Å; A379-R381 PolarHBondContact O-N 3.14Å; A379-R381 VanDerWaalsContact O-N 3.08Å; A379-K382 WeakPolarHBondContact O-CA 3.29Å; A379-K382 WeakPolarHBondContact O-CB 3.4Å; A379-K382 PolarHBondContact O-N 2.85Å; A379-L383 PolarHBondContact O-N 2.72Å
380P81.1Confident87.8Confident72 Ų7274.3 Ų74.347%0.46838%0.383SS..Hα-helixtrans-53.3-37.5-173.8-3035.3000115L383 V384P380-L383 PolarHBondContact O-N 3.05Å; P380-V384 PolarHBondContact O-N 3.5Å; P380-V384 VanDerWaalsContact O-N 3.08Å
381R82.4Confident87.5Confident209 Ų20972 Ų7279%0.78937%0.371SS*.Hα-helixtrans-62.5-41.6175.2-67.5-175.7-179.2178.20.8112.5A379 L383 V384 F385A379-R381 VanDerWaalsContact C-N 3.27Å; A379-R381 PolarHBondContact O-N 3.14Å; A379-R381 VanDerWaalsContact O-N 3.08Å; R381-L383 VanDerWaalsContact C-N 3.34Å; R381-V384 PolarHBondContact O-N 3.43Å; R381-F385 VanDerWaalsContact O-CD2 3.25Å; R381-F385 WeakPolarHBondContact O-CD2 3.45Å; R381-F385 PolarHBondContact O-N 3.31Å; R381-F385 VanDerWaalsContact O-N 3.15Å
382K87.7Confident87.3Confident133 Ų13376 Ų7658%0.57839%0.387SS*.Hα-helixtrans-64.8-39.9176.9-69.3-172.9177.2-177.40110.8L378 A379 V384 F385 I386L378-K382 HydrophobicContact CD2-CD 4.41Å; A379-K382 WeakPolarHBondContact O-CA 3.29Å; A379-K382 WeakPolarHBondContact O-CB 3.4Å; A379-K382 PolarHBondContact O-N 2.85Å; K382-V384 PolarHBondContact O-N 2.86Å; K382-F385 PolarHBondContact O-N 3.21Å; K382-I386 VanDerWaalsContact O-CG1 3.3Å; K382-I386 WeakPolarHBondContact O-CG1 3.5Å; K382-I386 PolarHBondContact O-N 2.85Å
383L85.7Confident87.4Confident13 Ų1377.3 Ų77.37%0.06840%0.397CS..Hα-helixtrans-59-45.4173.7-69.3173.3000111.7A44 V367 L378 A379 P380 R381 F385 I386 S387A44-L383 HydrophobicContact CB-CB 4.01Å; A44-L383 HydrophobicContact CB-CD1 4.23Å; V367-L383 HydrophobicContact CG1-CD2 4.1Å; L378-L383 HydrophobicContact CB-CD2 3.85Å; L378-L383 HydrophobicContact CB-CG 3.97Å; L378-L383 HydrophobicContact CD1-CD2 3.89Å; A379-L383 PolarHBondContact O-N 2.72Å; P380-L383 PolarHBondContact O-N 3.05Å; R381-L383 VanDerWaalsContact C-N 3.34Å; L383-F385 PolarHBondContact O-N 2.96Å; L383-I386 PolarHBondContact O-N 3.44Å; L383-S387 PolarHBondContact O-N 2.96Å; L383-S387 PolarHBondContact O-OG 3.41Å
384V80.4Confident87.6Confident15 Ų1576 Ų769%0.09139%0.386CS..Hα-helixtrans-61.1-40.4176.9174.30000112.4P380 R381 K382 S387 K388P380-V384 PolarHBondContact O-N 3.5Å; P380-V384 VanDerWaalsContact O-N 3.08Å; R381-V384 PolarHBondContact O-N 3.43Å; K382-V384 PolarHBondContact O-N 2.86Å; V384-S387 PolarHBondContact O-N 2.95Å; V384-K388 WeakPolarHBondContact O-CG 3.49Å; V384-K388 PolarHBondContact O-N 3.4Å
385F86.1Confident87.6Confident161 Ų16168 Ų6871%0.70636%0.355SS*.Hα-helixtrans-64.6-42.4173.9-80.9-70.3000112.5R381 K382 L383 K388 G389R381-F385 VanDerWaalsContact O-CD2 3.25Å; R381-F385 WeakPolarHBondContact O-CD2 3.45Å; R381-F385 PolarHBondContact O-N 3.31Å; R381-F385 VanDerWaalsContact O-N 3.15Å; K382-F385 PolarHBondContact O-N 3.21Å; L383-F385 PolarHBondContact O-N 2.96Å; F385-K388 PolarHBondContact O-N 3.28Å; F385-G389 PolarHBondContact O-N 3.3Å
386I91Very high87.6Confident55 Ų5565.4 Ų65.428%0.28235%0.347SS..Hα-helixtrans-60.6-45.7174.5-70.4165.2000110.5V367 I371 L378 K382 L383 K388 G389 L390V367-I386 HydrophobicContact CG2-CG2 4.31Å; I371-I386 HydrophobicContact CD1-CG2 3.58Å; L378-I386 HydrophobicContact CD1-CD1 4.04Å; K382-I386 VanDerWaalsContact O-CG1 3.3Å; K382-I386 WeakPolarHBondContact O-CG1 3.5Å; K382-I386 PolarHBondContact O-N 2.85Å; L383-I386 PolarHBondContact O-N 3.44Å; I386-K388 VanDerWaalsContact C-N 3.34Å; I386-K388 PolarHBondContact O-N 2.89Å; I386-G389 PolarHBondContact O-N 3.35Å; I386-L390 HydrophobicContact CG2-CD1 3.94Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 WeakPolarHBondContact O-CG 3.43Å; I386-L390 PolarHBondContact O-N 3.03Å
387S86.2Confident88.1Confident0 Ų062.3 Ų62.30%033%0.326CS..Hα-helixtrans-58.1-44.2177-56.60000112.1F48 L383 V384 L390 S391F48-S387 WeakPolarHBondContact CZ-OG 3.46Å; L383-S387 PolarHBondContact O-N 2.96Å; L383-S387 PolarHBondContact O-OG 3.41Å; V384-S387 PolarHBondContact O-N 2.95Å; S387-L390 PolarHBondContact O-N 3.02Å; S387-S391 PolarHBondContact O-N 3.04Å; S387-S391 PolarHBondContact O-OG 3.46Å; S387-S391 VanDerWaalsContact O-OG 3.14Å
388K83.9Confident88.5Confident64 Ų6456.7 Ų56.728%0.27829%0.287SS..Hα-helixtrans-66-39.4177-72.1-178.2179.3-176.90112.5Q41 T180 V384 F385 I386 S391 F392Q41-K388 VanDerWaalsContact OE1-CE 3.29Å; T180-K388 HydrophobicContact CG2-CB 4.39Å; V384-K388 WeakPolarHBondContact O-CG 3.49Å; V384-K388 PolarHBondContact O-N 3.4Å; F385-K388 PolarHBondContact O-N 3.28Å; I386-K388 VanDerWaalsContact C-N 3.34Å; I386-K388 PolarHBondContact O-N 2.89Å; K388-S391 PolarHBondContact O-N 3.42Å; K388-F392 PolarHBondContact O-N 3.47Å; K388-F392 VanDerWaalsContact O-N 3.11Å
389G90.8Very high88.8Confident33 Ų3356.8 Ų56.834%0.3429%0.287SS..Hα-helixtrans-62-44.2172.500000112.6F385 I386 F392 I393F385-G389 PolarHBondContact O-N 3.3Å; I386-G389 PolarHBondContact O-N 3.35Å; G389-F392 PolarHBondContact O-N 3.41Å; G389-I393 WeakPolarHBondContact O-CG1 3.24Å; G389-I393 PolarHBondContact O-N 2.66Å
390L92.6Very high89.2Confident22 Ų2258.5 Ų58.512%0.11529%0.293CS..Hα-helixtrans-61.9-41.9174.1-72.3170.1000111.9A363 T366 V367 I371 I386 S387 F392 I393 Y394A363-L390 HydrophobicContact CB-CB 3.96Å; T366-L390 HydrophobicContact CG2-CD1 3.75Å; T366-L390 HydrophobicContact CG2-CD2 3.81Å; T366-L390 HydrophobicContact CG2-CG 4.45Å; V367-L390 HydrophobicContact CG2-CD1 3.77Å; I371-L390 HydrophobicContact CD1-CD1 4.03Å; I386-L390 HydrophobicContact CG2-CD1 3.94Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 WeakPolarHBondContact O-CG 3.43Å; I386-L390 PolarHBondContact O-N 3.03Å; S387-L390 PolarHBondContact O-N 3.02Å; L390-F392 VanDerWaalsContact C-N 3.32Å; L390-F392 PolarHBondContact O-N 3.04Å; L390-I393 PolarHBondContact O-N 3.34Å; L390-Y394 HydrophobicContact CB-CD2 4.29Å; L390-Y394 HydrophobicContact CB-CE2 4.11Å; L390-Y394 HydrophobicContact CD2-CE2 4.25Å; L390-Y394 WeakPolarHBondContact O-CB 3.17Å; L390-Y394 WeakPolarHBondContact O-CD2 3.17Å; L390-Y394 PolarHBondContact O-N 3.3Å
391S88.4Confident89.7Confident3 Ų356 Ų562%0.02128%0.276CS..Hα-helixtrans-59.5-41.9175.8-65.20000112.4I359 S387 K388 G395I359-S391 VanDerWaalsContact CG2-O 3.32Å; I359-S391 WeakPolarHBondContact CG2-O 3.24Å; S387-S391 PolarHBondContact O-N 3.04Å; S387-S391 PolarHBondContact O-OG 3.46Å; S387-S391 VanDerWaalsContact O-OG 3.14Å; K388-S391 PolarHBondContact O-N 3.42Å; S391-G395 PolarHBondContact O-N 3.02Å
392F90.3Very high90.2Very high118 Ų11846 Ų4652%0.51824%0.238SC..Hα-helixtrans-65.7-43.2176-178.7-95.7000112.4T176 K388 G389 L390 G395 S396T176-F392 HydrophobicContact CG2-CD2 3.89Å; T176-F392 HydrophobicContact CG2-CE2 4.38Å; K388-F392 PolarHBondContact O-N 3.47Å; K388-F392 VanDerWaalsContact O-N 3.11Å; G389-F392 PolarHBondContact O-N 3.41Å; L390-F392 VanDerWaalsContact C-N 3.32Å; L390-F392 PolarHBondContact O-N 3.04Å; F392-G395 PolarHBondContact O-N 2.92Å; F392-S396 WeakPolarHBondContact O-CB 3.23Å; F392-S396 PolarHBondContact O-N 3.47Å; F392-S396 PolarHBondContact O-OG 3.45Å
393I93.9Very high90.4Very high94 Ų9440.5 Ų40.548%0.48222%0.218SC..Hα-helixtrans-60.7-50.7175.6-68.4164.4000110.3G389 L390 G395 S396 T397G389-I393 WeakPolarHBondContact O-CG1 3.24Å; G389-I393 PolarHBondContact O-N 2.66Å; L390-I393 PolarHBondContact O-N 3.34Å; I393-G395 PolarHBondContact O-N 3.22Å; I393-S396 WeakPolarHBondContact O-CB 3.39Å; I393-S396 PolarHBondContact O-N 2.96Å; I393-T397 PolarHBondContact O-N 2.86Å; I393-T397 PolarHBondContact O-OG1 3.33Å; I393-T397 VanDerWaalsContact O-OG1 3.12Å
394Y94.2Very high90.7Very high21 Ų2144.9 Ų44.98%0.08224%0.241CC..Hα-helixtrans-65.5-37.9-179.6-71.7-48.6000113L138 M142 M362 T366 L390 S396 T397 C398L138-Y394 HydrophobicContact CD2-CE1 4.44Å; M142-Y394 HydrophobicContact CE-CD1 3.62Å; M142-Y394 HydrophobicContact CE-CE1 3.37Å; M362-Y394 HydrophobicContact CB-CD1 4.43Å; M362-Y394 HydrophobicContact CB-CD2 3.69Å; M362-Y394 HydrophobicContact CB-CE2 3.78Å; M362-Y394 HydrophobicContact CB-CG 4.06Å; M362-Y394 HydrophobicContact CE-CD1 4.44Å; M362-Y394 HydrophobicContact CE-CG 4.18Å; M362-Y394 HydrophobicContact SD-CD1 4.26Å; M362-Y394 HydrophobicContact SD-CG 4.44Å; T366-Y394 WeakPolarHBondContact CB-OH 3.37Å; T366-Y394 PolarHBondContact OG1-OH 2.95Å; L390-Y394 HydrophobicContact CB-CD2 4.29Å; L390-Y394 HydrophobicContact CB-CE2 4.11Å; L390-Y394 HydrophobicContact CD2-CE2 4.25Å; L390-Y394 WeakPolarHBondContact O-CB 3.17Å; L390-Y394 WeakPolarHBondContact O-CD2 3.17Å; L390-Y394 PolarHBondContact O-N 3.3Å; Y394-S396 VanDerWaalsContact C-N 3.34Å; Y394-T397 PolarHBondContact O-N 3.5Å; Y394-C398 WeakPolarHBondContact O-CB 3.13Å; Y394-C398 PolarHBondContact O-N 3.13Å; Y394-C398 PolarHBondContact O-SG 3.07Å
395G92Very high91Very high0 Ų044.7 Ų44.70%024%0.24CC..Hα-helixtrans-59.4-45.117200000112.2S391 F392 I393 C398 L399S391-G395 PolarHBondContact O-N 3.02Å; F392-G395 PolarHBondContact O-N 2.92Å; I393-G395 PolarHBondContact O-N 3.22Å; G395-C398 PolarHBondContact O-N 3.3Å; G395-L399 PolarHBondContact O-N 3.41Å
396S91.8Very high90.9Very high47 Ų4738.3 Ų38.333%0.32922%0.215SC..Hα-helixtrans-62.4-44.2175.8-53.70000112.2F392 I393 Y394 L399 T400F392-S396 WeakPolarHBondContact O-CB 3.23Å; F392-S396 PolarHBondContact O-N 3.47Å; F392-S396 PolarHBondContact O-OG 3.45Å; I393-S396 WeakPolarHBondContact O-CB 3.39Å; I393-S396 PolarHBondContact O-N 2.96Å; Y394-S396 VanDerWaalsContact C-N 3.34Å; S396-L399 PolarHBondContact O-N 3.49Å; S396-T400 PolarHBondContact O-N 3.21Å; S396-T400 VanDerWaalsContact O-N 3.09Å; S396-T400 PolarHBondContact O-OG1 3.08Å
397T94Very high90.6Very high49 Ų4941.5 Ų41.530%0.30123%0.232SC..Hα-helixtrans-63.4-41.7175.2-56.30000112M142 I393 Y394 L399 T400 V401M142-T397 HydrophobicContact CG-CG2 4.31Å; M142-T397 HydrophobicContact SD-CG2 4Å; I393-T397 PolarHBondContact O-N 2.86Å; I393-T397 PolarHBondContact O-OG1 3.33Å; I393-T397 VanDerWaalsContact O-OG1 3.12Å; Y394-T397 PolarHBondContact O-N 3.5Å; T397-L399 VanDerWaalsContact C-N 3.32Å; T397-L399 PolarHBondContact O-N 3.49Å; T397-T400 WeakPolarHBondContact O-CB 3.4Å; T397-T400 PolarHBondContact O-N 3.4Å; T397-V401 WeakPolarHBondContact O-CG2 3.13Å; T397-V401 PolarHBondContact O-N 3.38Å
398C94.1Very high90Very high0 Ų047.4 Ų47.40%026%0.263CS..Hα-helixtrans-65.9-33.9177.5-65.60000112T145 G146 I149 Y394 G395 V401 A402T145-C398 HydrophobicContact CG2-CB 4.03Å; G146-C398 VanDerWaalsContact CA-O 3.3Å; G146-C398 WeakPolarHBondContact CA-O 3.29Å; I149-C398 HydrophobicContact CD1-CB 3.8Å; Y394-C398 WeakPolarHBondContact O-CB 3.13Å; Y394-C398 PolarHBondContact O-N 3.13Å; Y394-C398 PolarHBondContact O-SG 3.07Å; G395-C398 PolarHBondContact O-N 3.3Å; C398-V401 PolarHBondContact O-N 2.84Å; C398-A402 WeakPolarHBondContact O-CB 3.32Å; C398-A402 PolarHBondContact O-N 3.18Å
399L92.7Very high89.3Confident33 Ų3348.1 Ų48.117%0.17329%0.289CS..Hα-helixtrans-64.1-42.5170.8175.657000111.8L168 L169 G395 S396 T397 V401 A402 A403L168-L399 HydrophobicContact CB-CD1 4.36Å; L168-L399 VanDerWaalsContact O-CD1 3.27Å; L168-L399 WeakPolarHBondContact O-CD1 3.23Å; L169-L399 HydrophobicContact CD1-CD2 4.16Å; G395-L399 PolarHBondContact O-N 3.41Å; S396-L399 PolarHBondContact O-N 3.49Å; T397-L399 VanDerWaalsContact C-N 3.32Å; T397-L399 PolarHBondContact O-N 3.49Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 3.24Å; L399-A402 WeakPolarHBondContact O-CB 3.49Å; L399-A402 PolarHBondContact O-N 3Å; L399-A402 VanDerWaalsContact O-N 3.14Å; L399-A403 PolarHBondContact O-N 3.28Å
400T92.9Very high88.2Confident87 Ų8749.6 Ų49.653%0.53430%0.304SS..Hα-helixtrans-60.2-41.9173.4-52.90000111.7S396 T397 A403 L404S396-T400 PolarHBondContact O-N 3.21Å; S396-T400 VanDerWaalsContact O-N 3.09Å; S396-T400 PolarHBondContact O-OG1 3.08Å; T397-T400 WeakPolarHBondContact O-CB 3.4Å; T397-T400 PolarHBondContact O-N 3.4Å; T400-A403 PolarHBondContact O-N 3.06Å; T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 3.46Å
401V93.3Very high87.7Confident18 Ų1849.3 Ų49.311%0.10931%0.306CS..Hα-helixtrans-64.7-37.7173.9173.20000111.6L143 T397 C398 L399 A403 L404 S405L143-V401 HydrophobicContact CD2-CG1 4.08Å; T397-V401 WeakPolarHBondContact O-CG2 3.13Å; T397-V401 PolarHBondContact O-N 3.38Å; C398-V401 PolarHBondContact O-N 2.84Å; L399-V401 VanDerWaalsContact C-N 3.31Å; L399-V401 PolarHBondContact O-N 3.24Å; V401-A403 VanDerWaalsContact C-N 3.35Å; V401-L404 PolarHBondContact O-N 3.49Å; V401-S405 WeakPolarHBondContact O-CB 3.3Å; V401-S405 PolarHBondContact O-N 3.3Å; V401-S405 PolarHBondContact O-OG 3.26Å
402A92.8Very high87.6Confident0 Ų049.4 Ų49.40%031%0.307CS..Hα-helixtrans-62.3-42.3176.600000111.8G146 I149 L168 C398 L399 S405 S406G146-A402 WeakPolarHBondContact O-CA 3.29Å; G146-A402 WeakPolarHBondContact O-CB 3.46Å; I149-A402 HydrophobicContact CB-CB 3.91Å; I149-A402 HydrophobicContact CG2-CB 3.71Å; L168-A402 HydrophobicContact CD2-CB 3.74Å; C398-A402 WeakPolarHBondContact O-CB 3.32Å; C398-A402 PolarHBondContact O-N 3.18Å; L399-A402 WeakPolarHBondContact O-CB 3.49Å; L399-A402 PolarHBondContact O-N 3Å; L399-A402 VanDerWaalsContact O-N 3.14Å; A402-S405 WeakPolarHBondContact O-CB 3.32Å; A402-S405 PolarHBondContact O-N 2.97Å; A402-S406 PolarHBondContact O-N 3.19Å
403A92Very high87.6Confident17 Ų1743.8 Ų43.814%0.1428%0.282CS..Hα-helixtrans-63.6-40.517300000113W165 L168 L399 T400 V401 S405 S406W165-A403 HydrophobicContact CH2-CB 4.31Å; W165-A403 HydrophobicContact CZ3-CB 3.71Å; L168-A403 HydrophobicContact CD1-CB 4.32Å; L399-A403 PolarHBondContact O-N 3.28Å; T400-A403 PolarHBondContact O-N 3.06Å; V401-A403 VanDerWaalsContact C-N 3.35Å; A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 PolarHBondContact O-N 3.17Å; A403-S406 PolarHBondContact O-N 3.15Å; A403-S406 PolarHBondContact O-OG 3.26Å
404L91.2Very high87.5Confident105 Ų10541.9 Ų41.955%0.5527%0.271SS..Hα-helixtrans-64.9-36.7171.7-67.5173.4000111.5T400 V401 S406 L407T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 3.46Å; V401-L404 PolarHBondContact O-N 3.49Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 3.1Å; L404-L407 WeakPolarHBondContact O-CB 3.38Å; L404-L407 PolarHBondContact O-N 3.44Å; L404-L407 VanDerWaalsContact O-N 3.12Å
405S86.4Confident87.4Confident11 Ų1142.2 Ų42.28%0.07728%0.281CS..Hα-helixtrans-66.8-31.9178.4-55.90000112.4V401 A402 A403 L407 L408V401-S405 WeakPolarHBondContact O-CB 3.3Å; V401-S405 PolarHBondContact O-N 3.3Å; V401-S405 PolarHBondContact O-OG 3.26Å; A402-S405 WeakPolarHBondContact O-CB 3.32Å; A402-S405 PolarHBondContact O-N 2.97Å; A403-S405 VanDerWaalsContact C-N 3.3Å; A403-S405 PolarHBondContact O-N 3.17Å; S405-L407 PolarHBondContact O-N 2.82Å; S405-L408 PolarHBondContact O-N 3.14Å
406S85.2Confident87.3Confident27 Ų2742.4 Ų42.419%0.18928%0.282CS..THydrogen-bonded Turntrans-68.7-14.4173.361.50000114.2A402 A403 L404A402-S406 PolarHBondContact O-N 3.19Å; A403-S406 PolarHBondContact O-N 3.15Å; A403-S406 PolarHBondContact O-OG 3.26Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 3.1Å
407L83.9Confident87.4Confident122 Ų12240.6 Ų40.664%0.63927%0.269SS*.THydrogen-bonded Turntrans-89.5-12.6171.9-53.9176.6000112.3L404 S405L404-L407 WeakPolarHBondContact O-CB 3.38Å; L404-L407 PolarHBondContact O-N 3.44Å; L404-L407 VanDerWaalsContact O-N 3.12Å; S405-L407 PolarHBondContact O-N 2.82Å
408L73.1Confident87.3Confident124 Ų12439.3 Ų39.365%0.64926%0.261SS*.SBendtrans-89.7118.6177.5-61.4177.7000109.6S405S405-L408 PolarHBondContact O-N 3.14Å
409G69.1Low87.3Confident79 Ų7940.6 Ų40.681%0.81427%0.269SS*.  trans-68.7151.2168.100000111.8
410G68.9Low87.1Confident64 Ų6439.4 Ų39.466%0.6626%0.262SS*.SBendtrans121.5157.9179.900000112.4
411G81.8Confident87.1Confident16 Ų1635.2 Ų35.217%0.16524%0.237CC..  trans-68.1134.1-177.600000112.3D322 L413 Q414 G415D322-G411 VanDerWaalsContact OD2-CA 3.27Å; D322-G411 WeakPolarHBondContact OD2-CA 3.46Å; G411-L413 PolarHBondContact O-N 3.28Å; G411-L413 VanDerWaalsContact O-N 3.07Å; G411-Q414 PolarHBondContact O-N 2.95Å; G411-G415 PolarHBondContact O-N 3.07Å
412V86.4Confident87.2Confident5 Ų534.6 Ų34.63%0.0323%0.233CC..Hα-helixtrans-56.1-30.6-177.9-640000112.7V71 I147 Y150 A151 D322 S416V71-V412 HydrophobicContact CB-CG2 4.39Å; V71-V412 HydrophobicContact CG1-CB 4.47Å; V71-V412 HydrophobicContact CG1-CG2 4.17Å; V71-V412 WeakPolarHBondContact CG1-O 3.39Å; V71-V412 HydrophobicContact CG2-CB 4.41Å; V71-V412 HydrophobicContact CG2-CG2 4.39Å; I147-V412 HydrophobicContact CG2-CB 4.13Å; Y150-V412 HydrophobicContact CD1-CG1 3.8Å; Y150-V412 HydrophobicContact CE1-CG1 3.84Å; A151-V412 HydrophobicContact CB-CG1 4.48Å; A151-V412 HydrophobicContact CB-CG2 4.26Å; D322-V412 HydrophobicContact CB-CG2 4.48Å; D322-V412 PolarHBondContact OD1-N 3.29Å; D322-V412 PolarHBondContact OD2-N 3.4Å; V412-S416 VanDerWaalsContact O-CB 3.27Å; V412-S416 WeakPolarHBondContact O-CB 3.1Å; V412-S416 PolarHBondContact O-N 3.19Å; V412-S416 PolarHBondContact O-OG 3.03Å
413L90.5Very high87.3Confident0 Ų035.3 Ų35.30%024%0.236CC..Hα-helixtrans-69.9-46.8177-178.3151.1000112.6V71 G75 V76 E79 F87 G411 S416 F417 Y523V71-L413 VanDerWaalsContact CG1-CA 3.43Å; V71-L413 HydrophobicContact CG1-CB 4.02Å; G75-L413 VanDerWaalsContact C-CD1 3.47Å; V76-L413 HydrophobicContact CG2-CD1 3.84Å; E79-L413 HydrophobicContact CG-CD1 4.29Å; E79-L413 HydrophobicContact CG-CD2 4.09Å; F87-L413 HydrophobicContact CE2-CD1 4.25Å; F87-L413 HydrophobicContact CE2-CD2 4.34Å; F87-L413 HydrophobicContact CZ-CD1 4.08Å; G411-L413 PolarHBondContact O-N 3.28Å; G411-L413 VanDerWaalsContact O-N 3.07Å; L413-S416 PolarHBondContact O-N 2.71Å; L413-F417 HydrophobicContact CD1-CE2 4.32Å; L413-F417 HydrophobicContact CD2-CD2 3.65Å; L413-F417 HydrophobicContact CD2-CE2 3.81Å; L413-F417 HydrophobicContact CG-CD2 3.89Å; L413-F417 HydrophobicContact CG-CE2 3.79Å; L413-F417 VanDerWaalsContact O-CD2 3.28Å; L413-F417 WeakPolarHBondContact O-CD2 3.39Å; L413-F417 PolarHBondContact O-N 2.88Å; L413-Y523 VanDerWaalsContact CD2-OH 3.23Å; L413-Y523 WeakPolarHBondContact CD2-OH 3.09Å
414Q91.4Very high87.3Confident55 Ų5534.8 Ų34.826%0.25723%0.232SC..Hα-helixtrans-63.4-47.6174.8176.2174-21.900110.6G411 S416 F417 T418 Y523G411-Q414 PolarHBondContact O-N 2.95Å; Q414-S416 VanDerWaalsContact C-N 3.29Å; Q414-S416 PolarHBondContact O-N 3.33Å; Q414-F417 PolarHBondContact O-N 3.34Å; Q414-T418 VanDerWaalsContact O-CB 3.28Å; Q414-T418 WeakPolarHBondContact O-CB 3.38Å; Q414-T418 PolarHBondContact O-N 3.23Å; Q414-T418 PolarHBondContact O-OG1 2.6Å; Q414-Y523 HydrophobicContact CB-CD1 4.43Å; Q414-Y523 HydrophobicContact CB-CE1 4.44Å; Q414-Y523 HydrophobicContact CG-CD1 3.84Å; Q414-Y523 HydrophobicContact CG-CD2 4.43Å; Q414-Y523 HydrophobicContact CG-CE1 4.34Å; Q414-Y523 HydrophobicContact CG-CG 3.91Å
415G91.1Very high87.5Confident28 Ų2829.8 Ų29.829%0.28921%0.205SC..Hα-helixtrans-55.6-4517800000112.1G411 T418 V419G411-G415 PolarHBondContact O-N 3.07Å; G415-T418 PolarHBondContact O-N 3.04Å; G415-V419 WeakPolarHBondContact O-CG2 3.32Å; G415-V419 PolarHBondContact O-N 3.49Å
416S91.5Very high88Confident4 Ų429.2 Ų29.23%0.02820%0.202CC..Hα-helixtrans-60.8-54.8176.4-67.40000112.9V71 I147 V412 L413 Q414 T418 V419 M420V71-S416 WeakPolarHBondContact CG1-OG 3.47Å; I147-S416 VanDerWaalsContact CG2-OG 3.28Å; I147-S416 WeakPolarHBondContact CG2-OG 3.4Å; V412-S416 VanDerWaalsContact O-CB 3.27Å; V412-S416 WeakPolarHBondContact O-CB 3.1Å; V412-S416 PolarHBondContact O-N 3.19Å; V412-S416 PolarHBondContact O-OG 3.03Å; L413-S416 PolarHBondContact O-N 2.71Å; Q414-S416 VanDerWaalsContact C-N 3.29Å; Q414-S416 PolarHBondContact O-N 3.33Å; S416-T418 VanDerWaalsContact C-N 3.3Å; S416-T418 PolarHBondContact O-N 2.7Å; S416-V419 PolarHBondContact O-N 3.44Å; S416-M420 WeakPolarHBondContact O-CB 3.28Å; S416-M420 VanDerWaalsContact O-CG 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.43Å; S416-M420 PolarHBondContact O-N 3.1Å
417F92.2Very high88.6Confident9 Ų928.2 Ų28.24%0.03919%0.194CC..Hα-helixtrans-65.8-31.9-179.5-78.4-61000112.9M90 V254 W255 L413 Q414 G421 Y523 L524M90-F417 HydrophobicContact CE-CE1 4.45Å; M90-F417 HydrophobicContact CE-CE2 4.35Å; M90-F417 HydrophobicContact CE-CZ 4.02Å; V254-F417 HydrophobicContact CG1-CD1 3.86Å; V254-F417 HydrophobicContact CG1-CE1 4.39Å; W255-F417 HydrophobicContact CH2-CE1 4.34Å; W255-F417 HydrophobicContact CH2-CZ 4.42Å; W255-F417 AromaticContact CZ2-CE1 3.76Å; W255-F417 HydrophobicContact CZ2-CE1 3.76Å; W255-F417 AromaticContact CZ2-CZ 3.73Å; W255-F417 HydrophobicContact CZ2-CZ 3.73Å; L413-F417 HydrophobicContact CD1-CE2 4.32Å; L413-F417 HydrophobicContact CD2-CD2 3.65Å; L413-F417 HydrophobicContact CD2-CE2 3.81Å; L413-F417 HydrophobicContact CG-CD2 3.89Å; L413-F417 HydrophobicContact CG-CE2 3.79Å; L413-F417 VanDerWaalsContact O-CD2 3.28Å; L413-F417 WeakPolarHBondContact O-CD2 3.39Å; L413-F417 PolarHBondContact O-N 2.88Å; Q414-F417 PolarHBondContact O-N 3.34Å; F417-G421 PolarHBondContact O-N 3.39Å; F417-Y523 HydrophobicContact CB-CD2 3.62Å; F417-Y523 HydrophobicContact CB-CE2 3.45Å; F417-Y523 VanDerWaalsContact CB-CE2 3.45Å; F417-Y523 AromaticContact CD2-CE2 3.84Å; F417-Y523 HydrophobicContact CD2-CE2 3.84Å; F417-Y523 AromaticContact CG-CE2 3.96Å; F417-Y523 HydrophobicContact CG-CE2 3.96Å; F417-L524 HydrophobicContact CB-CD2 4.41Å; F417-L524 HydrophobicContact CD1-CD2 4.4Å; F417-L524 HydrophobicContact CD2-CD2 4.47Å; F417-L524 HydrophobicContact CG-CD2 4.2Å
418T93.7Very high89.2Confident22 Ų2222.5 Ų22.514%0.13516%0.164CC..Hα-helixtrans-61.7-54.6171.8-68.30000110.9Q414 G415 S416 M420 G421 V422 A460 Y526Q414-T418 VanDerWaalsContact O-CB 3.28Å; Q414-T418 WeakPolarHBondContact O-CB 3.38Å; Q414-T418 PolarHBondContact O-N 3.23Å; Q414-T418 PolarHBondContact O-OG1 2.6Å; G415-T418 PolarHBondContact O-N 3.04Å; S416-T418 VanDerWaalsContact C-N 3.3Å; S416-T418 PolarHBondContact O-N 2.7Å; T418-M420 VanDerWaalsContact C-N 3.31Å; T418-M420 PolarHBondContact O-N 3.1Å; T418-G421 PolarHBondContact O-N 3.13Å; T418-V422 HydrophobicContact CG2-CG2 4.1Å; T418-V422 VanDerWaalsContact O-CB 3.23Å; T418-V422 WeakPolarHBondContact O-CB 3.2Å; T418-V422 WeakPolarHBondContact O-CG2 3.35Å; T418-V422 PolarHBondContact O-N 2.87Å; T418-A460 HydrophobicContact CG2-CB 3.8Å; T418-Y526 HydrophobicContact CG2-CD2 4.15Å; T418-Y526 HydrophobicContact CG2-CE2 4.32Å
419V92.7Very high90.4Very high27 Ų2716.6 Ų16.616%0.16413%0.133CC..Hα-helixtrans-55.5-47.6177.7165.10000111.1L143 I147 G415 S416 I423L143-V419 HydrophobicContact CB-CG1 3.49Å; L143-V419 VanDerWaalsContact CB-CG1 3.49Å; L143-V419 HydrophobicContact CB-CG2 4.24Å; L143-V419 HydrophobicContact CD1-CG1 4.36Å; I147-V419 HydrophobicContact CD1-CG2 3.84Å; G415-V419 WeakPolarHBondContact O-CG2 3.32Å; G415-V419 PolarHBondContact O-N 3.49Å; S416-V419 PolarHBondContact O-N 3.44Å; V419-I423 PolarHBondContact O-N 2.86Å
420M89.5Confident91.8Very high7 Ų712.8 Ų12.83%0.0349%0.094CC..Hα-helixtrans-66.2-48.4-178.4-66.2-15883.800111.9F67 Y144 M258 S416 T418 S424F67-M420 HydrophobicContact CD1-CE 4.38Å; F67-M420 HydrophobicContact CD1-SD 4.45Å; F67-M420 HydrophobicContact CE1-CE 3.51Å; F67-M420 HydrophobicContact CE1-SD 4.09Å; F67-M420 HydrophobicContact CZ-CE 3.71Å; Y144-M420 HydrophobicContact CD1-CE 4.32Å; Y144-M420 HydrophobicContact CD1-SD 4.07Å; Y144-M420 HydrophobicContact CD2-CG 3.75Å; Y144-M420 HydrophobicContact CD2-SD 3.6Å; Y144-M420 HydrophobicContact CE1-SD 4.12Å; Y144-M420 HydrophobicContact CE2-CG 4.36Å; Y144-M420 HydrophobicContact CE2-SD 3.67Å; Y144-M420 HydrophobicContact CG-CE 4.43Å; Y144-M420 HydrophobicContact CG-CG 3.94Å; Y144-M420 HydrophobicContact CG-SD 3.82Å; M258-M420 HydrophobicContact CE-CE 3.76Å; M258-M420 HydrophobicContact CE-SD 3.44Å; M258-M420 WeakPolarHBondContact CE-SD 3.14Å; M258-M420 HydrophobicContact CG-CE 3.63Å; M258-M420 HydrophobicContact CG-SD 4.22Å; M258-M420 HydrophobicContact SD-CE 4.05Å; M258-M420 HydrophobicContact SD-SD 3.82Å; S416-M420 WeakPolarHBondContact O-CB 3.28Å; S416-M420 VanDerWaalsContact O-CG 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.43Å; S416-M420 PolarHBondContact O-N 3.1Å; T418-M420 VanDerWaalsContact C-N 3.31Å; T418-M420 PolarHBondContact O-N 3.1Å; M420-S424 WeakPolarHBondContact O-CA 3.47Å; M420-S424 WeakPolarHBondContact O-CB 3.38Å; M420-S424 PolarHBondContact O-N 3.4Å; M420-S424 PolarHBondContact O-OG 3.48Å
421G92.2Very high93.1Very high0 Ų09.8 Ų9.80%06%0.063CC..Hα-helixtrans-62.5-50.9179.300000112.5F417 T418 I423 G425 G527F417-G421 PolarHBondContact O-N 3.39Å; T418-G421 PolarHBondContact O-N 3.13Å; G421-I423 VanDerWaalsContact C-N 3.35Å; G421-I423 PolarHBondContact O-N 3.45Å; G421-G425 WeakPolarHBondContact O-CA 3.44Å; G421-G425 PolarHBondContact O-N 3.46Å; G421-G527 VanDerWaalsContact O-CA 3.27Å; G421-G527 WeakPolarHBondContact O-CA 3.47Å
422V95.1Very high93.9Very high5 Ų59.8 Ų9.83%0.036%0.06CC..Hα-helixtrans-58.4-43.3-174.6168.50000112.6T418 P426 S456 L457 A460 Y526T418-V422 HydrophobicContact CG2-CG2 4.1Å; T418-V422 VanDerWaalsContact O-CB 3.23Å; T418-V422 WeakPolarHBondContact O-CB 3.2Å; T418-V422 WeakPolarHBondContact O-CG2 3.35Å; T418-V422 PolarHBondContact O-N 2.87Å; V422-P426 WeakPolarHBondContact O-CD 3.37Å; V422-P426 WeakPolarHBondContact O-CG 3.25Å; V422-S456 PolarHBondContact O-OG 3.35Å; V422-L457 HydrophobicContact CG1-CB 4.38Å; V422-L457 HydrophobicContact CG1-CD2 3.57Å; V422-L457 HydrophobicContact CG1-CG 3.65Å; V422-A460 HydrophobicContact CG2-CB 3.57Å; V422-Y526 HydrophobicContact CG2-CD2 4.14Å
423I94.7Very high94.4Very high14 Ų149.6 Ų9.67%0.0726%0.059CC..Hα-helixtrans-96.7-36.3-175.2-51.9168.5000111.9Q136 V139 A140 L143 V419 G421Q136-I423 HydrophobicContact CB-CG2 3.9Å; Q136-I423 HydrophobicContact CG-CG2 4.43Å; Q136-I423 WeakPolarHBondContact O-CG2 3.45Å; V139-I423 HydrophobicContact CG1-CD1 4.34Å; A140-I423 HydrophobicContact CB-CB 3.83Å; A140-I423 HydrophobicContact CB-CD1 4.07Å; A140-I423 HydrophobicContact CB-CG2 3.75Å; L143-I423 HydrophobicContact CD1-CD1 3.9Å; V419-I423 PolarHBondContact O-N 2.86Å; G421-I423 VanDerWaalsContact C-N 3.35Å; G421-I423 PolarHBondContact O-N 3.45Å
424S93Very high94.7Very high6 Ų69.6 Ų9.64%0.0426%0.059CC..Hα-helixtrans-84-23.9-177.4-40.10000113.2S257 M420 L427 L428S257-S424 WeakPolarHBondContact CB-O 3.43Å; S257-S424 WeakPolarHBondContact OG-CB 3.25Å; M420-S424 WeakPolarHBondContact O-CA 3.47Å; M420-S424 WeakPolarHBondContact O-CB 3.38Å; M420-S424 PolarHBondContact O-N 3.4Å; M420-S424 PolarHBondContact O-OG 3.48Å; S424-L427 WeakPolarHBondContact O-CB 3.44Å; S424-L427 PolarHBondContact O-N 2.99Å; S424-L428 PolarHBondContact O-N 3.42Å
425G95.7Very high94.8Very high0 Ų07.1 Ų7.10%05%0.047CC..Hα-helixtrans-59.4-52.8174.200000112.7G421 L427 L428 G429 T531G421-G425 WeakPolarHBondContact O-CA 3.44Å; G421-G425 PolarHBondContact O-N 3.46Å; G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 2.87Å; G425-L428 WeakPolarHBondContact O-CB 3.18Å; G425-L428 PolarHBondContact O-N 3.28Å; G425-L428 VanDerWaalsContact O-N 3.12Å; G425-G429 PolarHBondContact O-N 3.38Å; G425-T531 WeakPolarHBondContact CA-OG1 3.5Å; G425-T531 WeakPolarHBondContact O-CA 3.49Å; G425-T531 PolarHBondContact O-OG1 2.96Å
426P97.3Very high95Very high0 Ų08.5 Ų8.50%05%0.048CC..Hα-helixtrans-55.5-40.3172.9-29.137.4000113.7V422 G429 A430 L449 L453 T534V422-P426 WeakPolarHBondContact O-CD 3.37Å; V422-P426 WeakPolarHBondContact O-CG 3.25Å; P426-G429 WeakPolarHBondContact O-CA 3.42Å; P426-G429 PolarHBondContact O-N 2.98Å; P426-G429 VanDerWaalsContact O-N 3.16Å; P426-A430 PolarHBondContact O-N 2.82Å; P426-L449 HydrophobicContact CB-CD2 4.13Å; P426-L449 WeakPolarHBondContact O-CD2 3.4Å; P426-L453 HydrophobicContact CB-CD1 3.54Å; P426-L453 HydrophobicContact CB-CG 4.43Å; P426-L453 HydrophobicContact CG-CD1 3.79Å; P426-L453 HydrophobicContact CG-CG 4.15Å; P426-T534 VanDerWaalsContact CA-OG1 3.3Å; P426-T534 WeakPolarHBondContact CA-OG1 3.32Å; P426-T534 WeakPolarHBondContact CB-OG1 3.31Å; P426-T534 WeakPolarHBondContact O-CG2 3.4Å
427L96.7Very high95.1Very high6 Ų611.1 Ų11.13%0.0316%0.061CC..Hα-helixtrans-59.9-47.6173.6-68.8177.5000112.2Q136 S424 G425 G429 A430 F431 L449Q136-L427 HydrophobicContact CB-CD1 3.98Å; Q136-L427 HydrophobicContact CB-CD2 4.03Å; Q136-L427 HydrophobicContact CB-CG 4.18Å; S424-L427 WeakPolarHBondContact O-CB 3.44Å; S424-L427 PolarHBondContact O-N 2.99Å; G425-L427 VanDerWaalsContact C-N 3.29Å; G425-L427 PolarHBondContact O-N 2.87Å; L427-G429 PolarHBondContact O-N 2.93Å; L427-A430 PolarHBondContact O-N 2.89Å; L427-A430 VanDerWaalsContact O-N 3.11Å; L427-F431 VanDerWaalsContact O-CD2 3.3Å; L427-F431 WeakPolarHBondContact O-CD2 3.47Å; L427-F431 PolarHBondContact O-N 3.44Å; L427-L449 HydrophobicContact CD2-CD2 4.25Å
428L97.2Very high95.2Very high1 Ų112.4 Ų12.41%0.0057%0.07CC..Hα-helixtrans-55.3-42174175.165000111F105 L253 L256 V261 S424 G425 F431 T432 T531F105-L428 HydrophobicContact CE1-CD1 4.05Å; F105-L428 HydrophobicContact CE2-CD1 4.5Å; F105-L428 HydrophobicContact CZ-CD1 3.71Å; L253-L428 HydrophobicContact CD2-CD2 4.19Å; L253-L428 WeakPolarHBondContact O-CD2 3.41Å; L256-L428 HydrophobicContact CB-CD2 4Å; L256-L428 HydrophobicContact CD2-CD1 4.21Å; L256-L428 HydrophobicContact CD2-CD2 4.2Å; L256-L428 HydrophobicContact CG-CD1 3.89Å; L256-L428 HydrophobicContact CG-CD2 4.1Å; V261-L428 HydrophobicContact CG1-CD1 4.11Å; V261-L428 HydrophobicContact CG2-CB 4.3Å; V261-L428 HydrophobicContact CG2-CD1 4.4Å; S424-L428 PolarHBondContact O-N 3.42Å; G425-L428 WeakPolarHBondContact O-CB 3.18Å; G425-L428 PolarHBondContact O-N 3.28Å; G425-L428 VanDerWaalsContact O-N 3.12Å; L428-F431 PolarHBondContact O-N 2.9Å; L428-T432 VanDerWaalsContact O-CB 3.3Å; L428-T432 WeakPolarHBondContact O-CB 3.4Å; L428-T432 PolarHBondContact O-N 3.23Å; L428-T432 PolarHBondContact O-OG1 3.04Å; L428-T531 HydrophobicContact CB-CG2 4.43Å; L428-T531 HydrophobicContact CD2-CG2 4.02Å; L428-T531 HydrophobicContact CG-CG2 4.05Å
429G97.8Very high95.3Very high0 Ų012 Ų120%07%0.069CC..Hα-helixtrans-57-49.817400000112.3G425 P426 L427 F431 T432 L433G425-G429 PolarHBondContact O-N 3.38Å; P426-G429 WeakPolarHBondContact O-CA 3.42Å; P426-G429 PolarHBondContact O-N 2.98Å; P426-G429 VanDerWaalsContact O-N 3.16Å; L427-G429 PolarHBondContact O-N 2.93Å; G429-F431 PolarHBondContact O-N 3.02Å; G429-T432 PolarHBondContact O-N 2.79Å; G429-L433 WeakPolarHBondContact O-CG 3.26Å; G429-L433 PolarHBondContact O-N 2.85Å
430A97.9Very high95.5Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-63.2-41.6179.600000113.8P426 L427 G434 V445 L449 T534P426-A430 PolarHBondContact O-N 2.82Å; L427-A430 PolarHBondContact O-N 2.89Å; L427-A430 VanDerWaalsContact O-N 3.11Å; A430-G434 PolarHBondContact O-N 2.94Å; A430-V445 HydrophobicContact CB-CG1 3.63Å; A430-L449 HydrophobicContact CB-CD1 4.05Å; A430-L449 HydrophobicContact CB-CD2 3.69Å; A430-L449 HydrophobicContact CB-CG 3.85Å; A430-T534 HydrophobicContact CB-CG2 4.47Å
431F97.5Very high95.8Very high0 Ų011 Ų110%06%0.063CC..Hα-helixtrans-64.4-42.3172.8-82.5-78.5000111.6F105 F109 T117 Y118 Y120 L121 V261 L427 L428 G429 L433 G434 M435F105-F431 HydrophobicContact CE1-CB 4.38Å; F109-F431 AromaticContact CE1-CE1 3.95Å; F109-F431 HydrophobicContact CE1-CE1 3.95Å; F109-F431 AromaticContact CZ-CD1 3.92Å; F109-F431 HydrophobicContact CZ-CD1 3.92Å; F109-F431 AromaticContact CZ-CE1 3.66Å; F109-F431 HydrophobicContact CZ-CE1 3.66Å; F109-F431 HydrophobicContact CZ-CZ 4.4Å; T117-F431 WeakPolarHBondContact O-CE1 3.35Å; Y118-F431 HydrophobicContact CD1-CE2 4.12Å; Y118-F431 AromaticContact CD1-CZ 3.95Å; Y118-F431 HydrophobicContact CD1-CZ 3.95Å; Y118-F431 AromaticContact CE1-CE2 3.86Å; Y118-F431 HydrophobicContact CE1-CE2 3.86Å; Y118-F431 HydrophobicContact CE1-CZ 4.04Å; Y120-F431 AromaticContact CD1-CD1 3.57Å; Y120-F431 HydrophobicContact CD1-CD1 3.57Å; Y120-F431 AromaticContact CD1-CE1 3.67Å; Y120-F431 HydrophobicContact CD1-CE1 3.67Å; Y120-F431 HydrophobicContact CE1-CD1 4.04Å; Y120-F431 HydrophobicContact CG-CE1 4.33Å; L121-F431 HydrophobicContact CD1-CE1 4.38Å; L121-F431 HydrophobicContact CD1-CE2 3.95Å; L121-F431 HydrophobicContact CD1-CZ 3.87Å; L121-F431 HydrophobicContact CD2-CD1 3.85Å; L121-F431 HydrophobicContact CD2-CD2 4.4Å; L121-F431 HydrophobicContact CD2-CE1 3.89Å; L121-F431 HydrophobicContact CD2-CE2 4.43Å; L121-F431 HydrophobicContact CD2-CG 4.12Å; L121-F431 HydrophobicContact CD2-CZ 4.19Å; L121-F431 HydrophobicContact CG-CD1 4.33Å; L121-F431 HydrophobicContact CG-CE1 3.85Å; L121-F431 HydrophobicContact CG-CE2 4.31Å; L121-F431 HydrophobicContact CG-CZ 3.83Å; V261-F431 HydrophobicContact CB-CB 4.48Å; V261-F431 HydrophobicContact CB-CD2 3.56Å; V261-F431 HydrophobicContact CB-CE2 3.88Å; V261-F431 HydrophobicContact CB-CG 4.03Å; V261-F431 HydrophobicContact CG1-CB 3.55Å; V261-F431 HydrophobicContact CG1-CD1 4.26Å; V261-F431 HydrophobicContact CG1-CD2 3.6Å; V261-F431 HydrophobicContact CG1-CE2 4.34Å; V261-F431 HydrophobicContact CG1-CG 3.55Å; V261-F431 HydrophobicContact CG2-CD2 4.15Å; L427-F431 VanDerWaalsContact O-CD2 3.3Å; L427-F431 WeakPolarHBondContact O-CD2 3.47Å; L427-F431 PolarHBondContact O-N 3.44Å; L428-F431 PolarHBondContact O-N 2.9Å; G429-F431 PolarHBondContact O-N 3.02Å; F431-L433 PolarHBondContact O-N 3.18Å; F431-G434 PolarHBondContact O-N 3.17Å; F431-G434 VanDerWaalsContact O-N 3.11Å; F431-M435 HydrophobicContact CD1-CE 4.08Å; F431-M435 WeakPolarHBondContact O-CB 3Å; F431-M435 VanDerWaalsContact O-CG 3.26Å; F431-M435 WeakPolarHBondContact O-CG 3.35Å; F431-M435 PolarHBondContact O-N 3.24Å
432T97.1Very high96Very high17 Ų1712.7 Ų12.710%0.1047%0.074CC..Hα-helixtrans-62.7-43.3178.6-55.80000111.3L428 G429 G434 M435 L436 M535L428-T432 VanDerWaalsContact O-CB 3.3Å; L428-T432 WeakPolarHBondContact O-CB 3.4Å; L428-T432 PolarHBondContact O-N 3.23Å; L428-T432 PolarHBondContact O-OG1 3.04Å; G429-T432 PolarHBondContact O-N 2.79Å; T432-G434 VanDerWaalsContact C-N 3.33Å; T432-G434 PolarHBondContact O-N 3.14Å; T432-M435 PolarHBondContact O-N 3.41Å; T432-L436 HydrophobicContact CG2-CD1 3.77Å; T432-L436 HydrophobicContact CG2-CG 4.35Å; T432-L436 WeakPolarHBondContact O-CB 3.34Å; T432-L436 PolarHBondContact O-N 3.15Å; T432-M535 HydrophobicContact CG2-CE 3.64Å; T432-M535 HydrophobicContact CG2-SD 3.83Å
433L97.3Very high96.1Very high0 Ų015.5 Ų15.50%09%0.092CC..Hα-helixtrans-57.7-44.2170.8-70.4-176.7000111.8G429 F431 L437 C440 V445 M535 A539G429-L433 WeakPolarHBondContact O-CG 3.26Å; G429-L433 PolarHBondContact O-N 2.85Å; F431-L433 PolarHBondContact O-N 3.18Å; L433-L437 HydrophobicContact CD2-CD1 3.67Å; L433-L437 WeakPolarHBondContact O-CB 3.34Å; L433-L437 PolarHBondContact O-N 3Å; L433-L437 VanDerWaalsContact O-N 3.14Å; L433-L437 VanDerWaalsContact O-O 3.07Å; L433-C440 HydrophobicContact CB-CB 4.37Å; L433-V445 HydrophobicContact CB-CG2 4.22Å; L433-V445 HydrophobicContact CD1-CG2 3.91Å; L433-M535 HydrophobicContact CD2-CB 4.17Å; L433-M535 HydrophobicContact CD2-CG 4.2Å; L433-M535 HydrophobicContact CG-CG 4.28Å; L433-A539 HydrophobicContact CD2-CB 4.36Å
434G96.3Very high96.3Very high0 Ų014.9 Ų14.90%09%0.088CC..Hα-helixtrans-62-49.1178.200000113.5Y120 R124 A430 F431 T432 L558Y120-G434 PolarHBondContact OH-O 3.03Å; R124-G434 WeakPolarHBondContact CD-O 3.3Å; R124-G434 PolarHBondContact NE-O 2.9Å; A430-G434 PolarHBondContact O-N 2.94Å; F431-G434 PolarHBondContact O-N 3.17Å; F431-G434 VanDerWaalsContact O-N 3.11Å; T432-G434 VanDerWaalsContact C-N 3.33Å; T432-G434 PolarHBondContact O-N 3.14Å; G434-L558 WeakPolarHBondContact O-CD2 3.29Å
435M95.3Very high96.5Very high3 Ų314.6 Ų14.62%0.0159%0.086CC..Hα-helixtrans-81-30.2-169.4-66.3177.1165.400113.6F105 I108 F109 Y120 F431 T432 L558 W559F105-M435 HydrophobicContact CD1-CE 4.09Å; F105-M435 HydrophobicContact CD1-SD 3.46Å; F105-M435 WeakPolarHBondContact CD1-SD 3.01Å; F105-M435 HydrophobicContact CE1-SD 3.71Å; F105-M435 HydrophobicContact CG-SD 4.35Å; I108-M435 HydrophobicContact CB-CE 4.18Å; I108-M435 HydrophobicContact CD1-CB 3.93Å; I108-M435 HydrophobicContact CD1-CE 3.87Å; I108-M435 HydrophobicContact CD1-CG 3.61Å; I108-M435 HydrophobicContact CD1-SD 3.6Å; I108-M435 VanDerWaalsContact CD1-SD 3.6Å; I108-M435 HydrophobicContact CG2-CE 4.01Å; F109-M435 HydrophobicContact CD2-CE 4.46Å; F109-M435 HydrophobicContact CE1-CE 4.14Å; F109-M435 HydrophobicContact CE2-CE 3.71Å; F109-M435 HydrophobicContact CZ-CE 3.53Å; Y120-M435 HydrophobicContact CD1-CE 4.24Å; Y120-M435 HydrophobicContact CE1-CE 4.09Å; Y120-M435 HydrophobicContact CE1-CG 3.8Å; Y120-M435 HydrophobicContact CE2-CE 4.38Å; Y120-M435 HydrophobicContact CE2-CG 4.27Å; Y120-M435 HydrophobicContact CG-CE 4.47Å; Y120-M435 VanDerWaalsContact OH-CA 3.26Å; Y120-M435 WeakPolarHBondContact OH-CA 3.46Å; Y120-M435 VanDerWaalsContact OH-CG 3.22Å; Y120-M435 WeakPolarHBondContact OH-CG 3.26Å; Y120-M435 PolarHBondContact OH-N 3.45Å; Y120-M435 VanDerWaalsContact OH-N 3.11Å; F431-M435 HydrophobicContact CD1-CE 4.08Å; F431-M435 WeakPolarHBondContact O-CB 3Å; F431-M435 VanDerWaalsContact O-CG 3.26Å; F431-M435 WeakPolarHBondContact O-CG 3.35Å; F431-M435 PolarHBondContact O-N 3.24Å; T432-M435 PolarHBondContact O-N 3.41Å; M435-L558 WeakPolarHBondContact O-CA 3.32Å; M435-W559 PolarHBondContact O-N 2.84Å; M435-W559 VanDerWaalsContact O-N 3.07Å
436L94Very high96.6Very high57 Ų5716.8 Ų16.830%0.29810%0.098SC..Hα-helixtrans-116.1-13.6-171.2-53-174.8000114.6T432 W559 W560T432-L436 HydrophobicContact CG2-CD1 3.77Å; T432-L436 HydrophobicContact CG2-CG 4.35Å; T432-L436 WeakPolarHBondContact O-CB 3.34Å; T432-L436 PolarHBondContact O-N 3.15Å; L436-W559 HydrophobicContact CD2-CB 3.91Å; L436-W559 HydrophobicContact CD2-CG 4.44Å; L436-W560 WeakPolarHBondContact O-CH2 3.39Å; L436-W560 WeakPolarHBondContact O-CZ3 3.36Å
437L94.7Very high96.7Very high60 Ų6019.2 Ų19.231%0.31412%0.115SC..  trans-124.9103.3-179.4-69.2175.9000111.8R124 L433 A439 C440 A539R124-L437 PolarHBondContact NH2-O 2.96Å; L433-L437 HydrophobicContact CD2-CD1 3.67Å; L433-L437 WeakPolarHBondContact O-CB 3.34Å; L433-L437 PolarHBondContact O-N 3Å; L433-L437 VanDerWaalsContact O-N 3.14Å; L433-L437 VanDerWaalsContact O-O 3.07Å; L437-A439 VanDerWaalsContact C-N 3.27Å; L437-A439 PolarHBondContact O-N 3.47Å; L437-C440 PolarHBondContact O-N 2.95Å; L437-A539 HydrophobicContact CD1-CB 4.43Å
438P93.7Very high96.7Very high36 Ų3619 Ų1923%0.23411%0.114CC..THydrogen-bonded Turntrans-67.1-29.1-177.327.1-35.3000112.5R124 C440 T548 R550 L553 L558 W560R124-P438 PolarHBondContact NH2-O 3.28Å; P438-C440 PolarHBondContact O-N 3.47Å; P438-T548 WeakPolarHBondContact O-CB 3.41Å; P438-R550 HydrophobicContact CB-CB 4.38Å; P438-L553 HydrophobicContact CB-CD1 4.04Å; P438-L558 HydrophobicContact CB-CD1 4Å; P438-L558 HydrophobicContact CB-CD2 4.35Å; P438-W560 HydrophobicContact CG-CZ2 4.3Å
439A94.8Very high96.8Very high13 Ų1319 Ų1911%0.10711%0.114CC..THydrogen-bonded Turntrans-66.5-20.1-18000000113.6L437 Y543 P547 T548L437-A439 VanDerWaalsContact C-N 3.27Å; L437-A439 PolarHBondContact O-N 3.47Å; A439-Y543 HydrophobicContact CB-CE1 3.98Å; A439-Y543 HydrophobicContact CB-CE2 4.48Å; A439-P547 HydrophobicContact CB-CB 3.82Å; A439-P547 CarbonylContact O-C 3.59Å; A439-P547 VanDerWaalsContact O-CA 3.28Å; A439-P547 WeakPolarHBondContact O-CA 3.39Å; A439-T548 PolarHBondContact O-N 3.22Å
440C96.7Very high96.7Very high0 Ų023.8 Ų23.80%014%0.143CC..  trans-67.6140.9-175-69.50000112.7R124 F125 L433 L437 P438 V445 S542 T548R124-C440 PolarHBondContact NH1-O 3.38Å; R124-C440 PolarHBondContact NH2-O 3.32Å; F125-C440 HydrophobicContact CE1-CB 4.07Å; F125-C440 HydrophobicContact CZ-CB 4.37Å; L433-C440 HydrophobicContact CB-CB 4.37Å; L437-C440 PolarHBondContact O-N 2.95Å; P438-C440 PolarHBondContact O-N 3.47Å; C440-V445 HydrophobicContact CB-CG2 4.41Å; C440-S542 WeakPolarHBondContact CA-OG 3.44Å; C440-T548 PolarHBondContact O-OG1 2.88Å
441N96.7Very high96.8Very high13 Ų1325.1 Ų25.17%0.0715%0.154CC..  trans-126.2171.6-175.872.818.1000111.7P443 G444 V445 S542 T545 G546 T548N441-P443 WeakPolarHBondContact OD1-CD 3.42Å; N441-G444 PolarHBondContact O-N 3.32Å; N441-G444 PolarHBondContact OD1-N 2.86Å; N441-V445 PolarHBondContact O-N 3.33Å; N441-V445 VanDerWaalsContact O-N 3.08Å; N441-S542 PolarHBondContact N-OG 3.42Å; N441-S542 PolarHBondContact ND2-O 3.5Å; N441-S542 PolarHBondContact OD1-OG 3.42Å; N441-T545 PolarHBondContact ND2-OG1 3.29Å; N441-T545 PolarHBondContact OD1-OG1 2.87Å; N441-G546 PolarHBondContact ND2-O 2.82Å; N441-T548 WeakPolarHBondContact CB-OG1 3.5Å
442T97.2Very high96.8Very high36 Ų3625.1 Ų25.122%0.22115%0.154CC..Hα-helixtrans-59.6-51.2-177.4-71.60000113.4F125 S126 V129 G444 V445 L446F125-T442 VanDerWaalsContact C-OG1 3.25Å; F125-T442 WeakPolarHBondContact CB-OG1 3.33Å; F125-T442 PolarHBondContact O-OG1 3.49Å; S126-T442 WeakPolarHBondContact OG-CG2 3.42Å; S126-T442 PolarHBondContact OG-OG1 2.94Å; V129-T442 HydrophobicContact CG2-CG2 4.15Å; T442-G444 VanDerWaalsContact C-N 3.32Å; T442-G444 PolarHBondContact O-N 2.89Å; T442-V445 PolarHBondContact O-N 3.44Å; T442-L446 HydrophobicContact CG2-CD1 3.84Å; T442-L446 HydrophobicContact CG2-CG 4.45Å; T442-L446 WeakPolarHBondContact O-CG 3.34Å; T442-L446 PolarHBondContact O-N 3.05Å; T442-L446 VanDerWaalsContact O-N 3.09Å
443P97.4Very high96.8Very high64 Ų6425.9 Ų25.942%0.41616%0.157SC..Hα-helixtrans-54.9-46176.5-27.735.1000112.9N441 L446 S447 T545N441-P443 WeakPolarHBondContact OD1-CD 3.42Å; P443-L446 PolarHBondContact O-N 3.33Å; P443-S447 PolarHBondContact O-N 2.88Å; P443-S447 PolarHBondContact O-OG 3.11Å; P443-S447 VanDerWaalsContact O-OG 3.08Å; P443-T545 HydrophobicContact CB-CG2 4.4Å
444G97.9Very high96.8Very high0 Ų028.6 Ų28.60%018%0.18CC..Hα-helixtrans-58.6-52.4178.700000112.5N441 T442 L446 S447 G448 G538N441-G444 PolarHBondContact O-N 3.32Å; N441-G444 PolarHBondContact OD1-N 2.86Å; T442-G444 VanDerWaalsContact C-N 3.32Å; T442-G444 PolarHBondContact O-N 2.89Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.46Å; G444-S447 PolarHBondContact O-N 3.41Å; G444-G448 PolarHBondContact O-N 2.88Å; G444-G538 WeakPolarHBondContact O-CA 3.33Å
445V98Very high96.8Very high0 Ų030.4 Ų30.40%019%0.191CC..Hα-helixtrans-65.1-35.9-178.1176.40000112.8F125 V129 A430 L433 C440 N441 T442 G448 L449F125-V445 HydrophobicContact CD1-CG2 4.14Å; F125-V445 HydrophobicContact CD2-CG2 4.47Å; F125-V445 HydrophobicContact CE1-CB 4.48Å; F125-V445 HydrophobicContact CE1-CG2 3.54Å; F125-V445 HydrophobicContact CE2-CG1 4.31Å; F125-V445 HydrophobicContact CE2-CG2 3.92Å; F125-V445 HydrophobicContact CZ-CB 4.4Å; F125-V445 HydrophobicContact CZ-CG2 3.42Å; F125-V445 VanDerWaalsContact CZ-CG2 3.42Å; V129-V445 HydrophobicContact CG1-CG1 3.93Å; A430-V445 HydrophobicContact CB-CG1 3.63Å; L433-V445 HydrophobicContact CB-CG2 4.22Å; L433-V445 HydrophobicContact CD1-CG2 3.91Å; C440-V445 HydrophobicContact CB-CG2 4.41Å; N441-V445 PolarHBondContact O-N 3.33Å; N441-V445 VanDerWaalsContact O-N 3.08Å; T442-V445 PolarHBondContact O-N 3.44Å; V445-G448 PolarHBondContact O-N 3.43Å; V445-L449 HydrophobicContact CG1-CD1 4.18Å; V445-L449 HydrophobicContact CG1-CG 4.45Å; V445-L449 WeakPolarHBondContact O-CB 3.16Å; V445-L449 WeakPolarHBondContact O-CG 3.28Å; V445-L449 PolarHBondContact O-N 3.08Å
446L98.1Very high96.9Very high47 Ų4730.2 Ų30.225%0.24619%0.19CC..Hα-helixtrans-65.9-42.9174.3-69.1173.9000112A128 V129 C132 T442 P443 G444 T450A128-L446 HydrophobicContact CB-CD1 4.36Å; V129-L446 HydrophobicContact CG2-CD2 3.95Å; V129-L446 HydrophobicContact CG2-CG 4.04Å; C132-L446 HydrophobicContact CB-CD2 4.4Å; T442-L446 HydrophobicContact CG2-CD1 3.84Å; T442-L446 HydrophobicContact CG2-CG 4.45Å; T442-L446 WeakPolarHBondContact O-CG 3.34Å; T442-L446 PolarHBondContact O-N 3.05Å; T442-L446 VanDerWaalsContact O-N 3.09Å; P443-L446 PolarHBondContact O-N 3.33Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.46Å; L446-T450 WeakPolarHBondContact O-CB 3.47Å; L446-T450 PolarHBondContact O-N 2.84Å; L446-T450 PolarHBondContact O-OG1 3.13Å
447S98Very high96.9Very high51 Ų5131.3 Ų31.336%0.35720%0.196SC..Hα-helixtrans-62.9-42.5173.4-61.50000112.1P443 G444 T450 A451P443-S447 PolarHBondContact O-N 2.88Å; P443-S447 PolarHBondContact O-OG 3.11Å; P443-S447 VanDerWaalsContact O-OG 3.08Å; G444-S447 PolarHBondContact O-N 3.41Å; S447-T450 PolarHBondContact O-N 2.95Å; S447-A451 WeakPolarHBondContact O-CB 3.3Å; S447-A451 PolarHBondContact O-N 3Å
448G98.3Very high97Very high0 Ų034.8 Ų34.80%021%0.205CC..Hα-helixtrans-59.5-51.3175.500000112.2G444 V445 T450 A451 G452 T534G444-G448 PolarHBondContact O-N 2.88Å; V445-G448 PolarHBondContact O-N 3.43Å; G448-T450 VanDerWaalsContact C-N 3.28Å; G448-T450 PolarHBondContact O-N 2.95Å; G448-A451 PolarHBondContact O-N 3.19Å; G448-G452 PolarHBondContact O-N 3.21Å; G448-T534 WeakPolarHBondContact O-CA 3.19Å; G448-T534 PolarHBondContact O-OG1 3.43Å
449L97.5Very high97Very high3 Ų333.1 Ų33.12%0.01619%0.194CC..Hα-helixtrans-56.4-43.5176.6-80.7169.9000111.9V129 P426 L427 A430 V445 L453 T534V129-L449 HydrophobicContact CG1-CD1 4.35Å; P426-L449 HydrophobicContact CB-CD2 4.13Å; P426-L449 WeakPolarHBondContact O-CD2 3.4Å; L427-L449 HydrophobicContact CD2-CD2 4.25Å; A430-L449 HydrophobicContact CB-CD1 4.05Å; A430-L449 HydrophobicContact CB-CD2 3.69Å; A430-L449 HydrophobicContact CB-CG 3.85Å; V445-L449 HydrophobicContact CG1-CD1 4.18Å; V445-L449 HydrophobicContact CG1-CG 4.45Å; V445-L449 WeakPolarHBondContact O-CB 3.16Å; V445-L449 WeakPolarHBondContact O-CG 3.28Å; V445-L449 PolarHBondContact O-N 3.08Å; L449-L453 VanDerWaalsContact O-CD1 3.29Å; L449-L453 WeakPolarHBondContact O-CD1 3.44Å; L449-L453 PolarHBondContact O-N 3.08Å; L449-T534 HydrophobicContact CD2-CG2 4.47Å
450T97.5Very high97Very high99 Ų9932.9 Ų32.961%0.60719%0.192SC*.Hα-helixtrans-65.3-48.1-179.5-54.50000111.2L446 S447 G448 A454L446-T450 WeakPolarHBondContact O-CB 3.47Å; L446-T450 PolarHBondContact O-N 2.84Å; L446-T450 PolarHBondContact O-OG1 3.13Å; S447-T450 PolarHBondContact O-N 2.95Å; G448-T450 VanDerWaalsContact C-N 3.28Å; G448-T450 PolarHBondContact O-N 2.95Å; T450-A454 VanDerWaalsContact O-CB 3.32Å; T450-A454 WeakPolarHBondContact O-CB 3.24Å; T450-A454 PolarHBondContact O-N 2.95Å
451A98.1Very high96.8Very high28 Ų2836.8 Ų36.823%0.23122%0.215CC..Hα-helixtrans-64.2-42.1177.300000112.1S447 G448 A454 V455 T533 C537S447-A451 WeakPolarHBondContact O-CB 3.3Å; S447-A451 PolarHBondContact O-N 3Å; G448-A451 PolarHBondContact O-N 3.19Å; A451-A454 PolarHBondContact O-N 3.35Å; A451-V455 WeakPolarHBondContact O-CB 3.44Å; A451-V455 WeakPolarHBondContact O-CG2 3.31Å; A451-V455 PolarHBondContact O-N 2.88Å; A451-T533 HydrophobicContact CB-CG2 3.94Å; A451-C537 HydrophobicContact CB-CB 4.1Å
452G98Very high96.6Very high0 Ų036.3 Ų36.30%021%0.214CC..Hα-helixtrans-61-47.917800000112.9G448 S456 T534G448-G452 PolarHBondContact O-N 3.21Å; G452-S456 WeakPolarHBondContact O-CB 3.19Å; G452-S456 PolarHBondContact O-N 3.11Å; G452-S456 VanDerWaalsContact O-N 3.07Å; G452-S456 PolarHBondContact O-OG 2.93Å; G452-T534 WeakPolarHBondContact CA-OG1 3.39Å
453L96.8Very high96.4Very high33 Ų3334.9 Ų34.917%0.17321%0.206CC..Hα-helixtrans-63.7-44.8173.9-95.895.2000111.9Q136 P426 L449 V455 S456 L457Q136-L453 VanDerWaalsContact CD-CD1 3.46Å; Q136-L453 HydrophobicContact CG-CD1 4.3Å; Q136-L453 HydrophobicContact CG-CD2 4.39Å; P426-L453 HydrophobicContact CB-CD1 3.54Å; P426-L453 HydrophobicContact CB-CG 4.43Å; P426-L453 HydrophobicContact CG-CD1 3.79Å; P426-L453 HydrophobicContact CG-CG 4.15Å; L449-L453 VanDerWaalsContact O-CD1 3.29Å; L449-L453 WeakPolarHBondContact O-CD1 3.44Å; L449-L453 PolarHBondContact O-N 3.08Å; L453-V455 PolarHBondContact O-N 2.84Å; L453-S456 PolarHBondContact O-N 3Å; L453-S456 PolarHBondContact O-OG 3.43Å; L453-L457 HydrophobicContact CB-CD1 4.35Å; L453-L457 HydrophobicContact CD2-CD1 4.34Å; L453-L457 WeakPolarHBondContact O-CB 3.44Å; L453-L457 WeakPolarHBondContact O-CD1 3.17Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.44Å; L453-L457 PolarHBondContact O-N 2.74Å
454A97.4Very high96Very high58 Ų5836.9 Ų36.948%0.47922%0.217SC..Hα-helixtrans-60.6-44.9-177.200000111.8T450 A451 W458T450-A454 VanDerWaalsContact O-CB 3.32Å; T450-A454 WeakPolarHBondContact O-CB 3.24Å; T450-A454 PolarHBondContact O-N 2.95Å; A451-A454 PolarHBondContact O-N 3.35Å; A454-W458 VanDerWaalsContact O-CB 3.28Å; A454-W458 WeakPolarHBondContact O-CB 3.2Å; A454-W458 PolarHBondContact O-N 3.29Å
455V97Very high95.6Very high37 Ų3742.6 Ų42.622%0.22425%0.247CC..Hα-helixtrans-70.2-43.7179.4173.90000111.7A451 L453 W458 V459 F518 L529 T533A451-V455 WeakPolarHBondContact O-CB 3.44Å; A451-V455 WeakPolarHBondContact O-CG2 3.31Å; A451-V455 PolarHBondContact O-N 2.88Å; L453-V455 PolarHBondContact O-N 2.84Å; V455-W458 PolarHBondContact O-N 2.81Å; V455-V459 PolarHBondContact O-N 3.43Å; V455-V459 VanDerWaalsContact O-N 3.14Å; V455-F518 HydrophobicContact CG1-CZ 4.35Å; V455-L529 HydrophobicContact CG1-CD1 4.06Å; V455-L529 HydrophobicContact CG1-CD2 3.76Å; V455-L529 HydrophobicContact CG1-CG 3.8Å; V455-T533 HydrophobicContact CB-CG2 4.34Å; V455-T533 HydrophobicContact CG2-CG2 4.06Å
456S96.3Very high95.3Very high0 Ų046.8 Ų46.80%026%0.263CS..Hα-helixtrans-69-38.5179.463.80000112.5V422 G452 L453 A460V422-S456 PolarHBondContact O-OG 3.35Å; G452-S456 WeakPolarHBondContact O-CB 3.19Å; G452-S456 PolarHBondContact O-N 3.11Å; G452-S456 VanDerWaalsContact O-N 3.07Å; G452-S456 PolarHBondContact O-OG 2.93Å; L453-S456 PolarHBondContact O-N 3Å; L453-S456 PolarHBondContact O-OG 3.43Å; S456-A460 WeakPolarHBondContact O-CB 3.42Å; S456-A460 PolarHBondContact O-N 2.88Å
457L95.5Very high94.9Very high79 Ų7948.1 Ų48.141%0.41428%0.275SS..Hα-helixtrans-64.4-42.7173-77.5165.3000111.6V422 L453 A460 V461V422-L457 HydrophobicContact CG1-CB 4.38Å; V422-L457 HydrophobicContact CG1-CD2 3.57Å; V422-L457 HydrophobicContact CG1-CG 3.65Å; L453-L457 HydrophobicContact CB-CD1 4.35Å; L453-L457 HydrophobicContact CD2-CD1 4.34Å; L453-L457 WeakPolarHBondContact O-CB 3.44Å; L453-L457 WeakPolarHBondContact O-CD1 3.17Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.44Å; L453-L457 PolarHBondContact O-N 2.74Å; L457-A460 PolarHBondContact O-N 2.82Å; L457-V461 WeakPolarHBondContact O-CB 3.2Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.36Å
458W95.8Very high94.5Very high134 Ų13446.8 Ų46.851%0.50827%0.265SS..Hα-helixtrans-56.8-52.6176.6179.3-0.7000110.6A454 V455 A460 V461 G462 Y519A454-W458 VanDerWaalsContact O-CB 3.28Å; A454-W458 WeakPolarHBondContact O-CB 3.2Å; A454-W458 PolarHBondContact O-N 3.29Å; V455-W458 PolarHBondContact O-N 2.81Å; W458-A460 PolarHBondContact O-N 3.34Å; W458-V461 PolarHBondContact O-N 3.46Å; W458-G462 PolarHBondContact O-N 3.38Å; W458-Y519 AromaticContact CD1-CE1 3.78Å; W458-Y519 AromaticContact NE1-CE1 3.55Å; W458-Y519 AromaticContact NE1-CZ 3.68Å; W458-Y519 PolarHBondContact NE1-OH 2.92Å
459V94.7Very high94Very high1 Ų148.5 Ų48.51%0.00628%0.283CS..Hα-helixtrans-60.2-46.1179.1178.70000111.6V455 V461 G462 A463 F518 Y526 L529V455-V459 PolarHBondContact O-N 3.43Å; V455-V459 VanDerWaalsContact O-N 3.14Å; V459-V461 PolarHBondContact O-N 3.04Å; V459-G462 PolarHBondContact O-N 3.38Å; V459-A463 VanDerWaalsContact O-CB 3.29Å; V459-A463 WeakPolarHBondContact O-CB 3.32Å; V459-A463 PolarHBondContact O-N 3.38Å; V459-F518 HydrophobicContact CG2-CD1 3.85Å; V459-F518 HydrophobicContact CG2-CD2 4.23Å; V459-F518 HydrophobicContact CG2-CE1 3.3Å; V459-F518 HydrophobicContact CG2-CE2 3.72Å; V459-F518 HydrophobicContact CG2-CG 4.29Å; V459-F518 HydrophobicContact CG2-CZ 3.23Å; V459-Y526 HydrophobicContact CB-CD1 4.49Å; V459-Y526 HydrophobicContact CB-CE1 4.45Å; V459-Y526 HydrophobicContact CG1-CD1 3.71Å; V459-Y526 HydrophobicContact CG1-CE1 3.32Å; V459-L529 HydrophobicContact CB-CD2 4.35Å; V459-L529 HydrophobicContact CG2-CD2 3.6Å
460A93.6Very high93.7Very high8 Ų853.6 Ų53.67%0.06631%0.307CS..Hα-helixtrans-64.9-41.2-178.100000113.3T418 V422 S456 L457 W458 T464 Y526T418-A460 HydrophobicContact CG2-CB 3.8Å; V422-A460 HydrophobicContact CG2-CB 3.57Å; S456-A460 WeakPolarHBondContact O-CB 3.42Å; S456-A460 PolarHBondContact O-N 2.88Å; L457-A460 PolarHBondContact O-N 2.82Å; W458-A460 PolarHBondContact O-N 3.34Å; A460-T464 WeakPolarHBondContact O-CB 3.36Å; A460-T464 PolarHBondContact O-N 3.05Å; A460-T464 PolarHBondContact O-OG1 2.89Å; A460-Y526 HydrophobicContact CB-CD2 3.97Å; A460-Y526 HydrophobicContact CB-CE2 4.02Å
461V93.1Very high93.3Very high81 Ų8156.7 Ų56.749%0.49131%0.314SS..Hα-helixtrans-67-44.4174.2172.50000110.4L457 W458 V459 A463 T464 L465L457-V461 WeakPolarHBondContact O-CB 3.2Å; L457-V461 VanDerWaalsContact O-CG2 3.3Å; L457-V461 WeakPolarHBondContact O-CG2 3.43Å; L457-V461 PolarHBondContact O-N 3.36Å; W458-V461 PolarHBondContact O-N 3.46Å; V459-V461 PolarHBondContact O-N 3.04Å; V461-A463 VanDerWaalsContact C-N 3.34Å; V461-A463 PolarHBondContact O-N 2.97Å; V461-T464 PolarHBondContact O-N 3.38Å; V461-T464 VanDerWaalsContact O-N 3.14Å; V461-L465 HydrophobicContact CG1-CD1 3.88Å; V461-L465 HydrophobicContact CG1-CG 4.37Å; V461-L465 WeakPolarHBondContact O-CG 3.49Å; V461-L465 PolarHBondContact O-N 3.28Å
462G93.1Very high92.9Very high4 Ų457.4 Ų57.44%0.04132%0.316CS..Hα-helixtrans-58.2-43.7176.500000112.9W458 V459 T464 L465 Y466W458-G462 PolarHBondContact O-N 3.38Å; V459-G462 PolarHBondContact O-N 3.38Å; G462-T464 VanDerWaalsContact C-N 3.33Å; G462-T464 PolarHBondContact O-N 3.25Å; G462-L465 PolarHBondContact O-N 3.15Å; G462-Y466 PolarHBondContact O-N 2.73Å
463A91.7Very high92.5Very high6 Ų658.8 Ų58.85%0.0532%0.322CS..Hα-helixtrans-71.6-24.5176.900000113.7V459 V461 P467 Y519 Y526V459-A463 VanDerWaalsContact O-CB 3.29Å; V459-A463 WeakPolarHBondContact O-CB 3.32Å; V459-A463 PolarHBondContact O-N 3.38Å; V461-A463 VanDerWaalsContact C-N 3.34Å; V461-A463 PolarHBondContact O-N 2.97Å; A463-P467 VanDerWaalsContact O-CA 3.23Å; A463-P467 WeakPolarHBondContact O-CA 3.4Å; A463-Y519 VanDerWaalsContact CB-O 3.24Å; A463-Y519 WeakPolarHBondContact CB-O 3.44Å; A463-Y526 WeakPolarHBondContact CB-OH 3.4Å
464T89.7Confident92.3Very high106 Ų10658.5 Ų58.565%0.6533%0.327SS*.Hα-helixtrans-78-38.2174.3-56.30000111.2A460 V461 G462A460-T464 WeakPolarHBondContact O-CB 3.36Å; A460-T464 PolarHBondContact O-N 3.05Å; A460-T464 PolarHBondContact O-OG1 2.89Å; V461-T464 PolarHBondContact O-N 3.38Å; V461-T464 VanDerWaalsContact O-N 3.14Å; G462-T464 VanDerWaalsContact C-N 3.33Å; G462-T464 PolarHBondContact O-N 3.25Å
465L90.2Very high92.1Very high119 Ų11957.3 Ų57.362%0.62331%0.314SS*.Hα-helixtrans-77.7-35.5177.4-66174000112.8V461 G462V461-L465 HydrophobicContact CG1-CD1 3.88Å; V461-L465 HydrophobicContact CG1-CG 4.37Å; V461-L465 WeakPolarHBondContact O-CG 3.49Å; V461-L465 PolarHBondContact O-N 3.28Å; G462-L465 PolarHBondContact O-N 3.15Å
466Y91.3Very high92Very high88 Ų8857 Ų5735%0.34531%0.311SS..SBendtrans-129.170-178.2-54.5-79.4000110.2G462 P512 A515 Y519G462-Y466 PolarHBondContact O-N 2.73Å; Y466-P512 HydrophobicContact CD1-CG 4.23Å; Y466-P512 HydrophobicContact CD2-CG 3.9Å; Y466-P512 VanDerWaalsContact CE1-CD 3.45Å; Y466-P512 HydrophobicContact CE1-CG 4.08Å; Y466-P512 HydrophobicContact CE2-CG 3.75Å; Y466-P512 HydrophobicContact CG-CG 4.13Å; Y466-A515 HydrophobicContact CG-CB 4.34Å; Y466-Y519 HydrophobicContact CD2-CD2 4.15Å; Y466-Y519 HydrophobicContact CD2-CE2 4.12Å
467P88.9Confident91.8Very high75 Ų7562 Ų6249%0.48734%0.344SS..PPolyproline II helixtrans-59.2144.9-177.724.1-34.1000111.7A463 R511A463-P467 VanDerWaalsContact O-CA 3.23Å; A463-P467 WeakPolarHBondContact O-CA 3.4Å; P467-R511 PolarHBondContact O-NH1 3Å; P467-R511 PolarHBondContact O-NH2 3.44Å
468P89.9Confident91.6Very high23 Ų2360.8 Ų60.815%0.14934%0.34CS..PPolyproline II helixtrans-64150.4173.724.8-32.3000111.4T472 M473 A520P468-T472 HydrophobicContact CB-CG2 4.21Å; P468-M473 HydrophobicContact CB-CG 4.16Å; P468-M473 HydrophobicContact CG-CG 3.76Å; P468-M473 HydrophobicContact CG-SD 4.12Å; P468-A520 HydrophobicContact CB-CB 4.01Å
469G88.9Confident91.4Very high37 Ų3756.5 Ų56.538%0.38133%0.33SS..PPolyproline II helixtrans-66.6157.1176.300000112.6Q471 T472 M473G469-Q471 PolarHBondContact O-N 3.22Å; G469-T472 WeakPolarHBondContact O-CB 3.47Å; G469-T472 PolarHBondContact O-N 3.03Å; G469-M473 PolarHBondContact O-N 3.32Å
470E89.7Confident91.2Very high110 Ų11058.2 Ų58.251%0.51435%0.345SS..Hα-helixtrans-59.3-33.7-179.5-67.3-155.712300113.3R82 M473 G474 V475R82-E470 IonicContact NH2-OE1 3.69Å; R82-E470 PolarHBondContact NH2-OE1 3.19Å; E470-M473 HydrophobicContact CG-CE 4.27Å; E470-M473 PolarHBondContact O-N 2.88Å; E470-G474 PolarHBondContact O-N 3.12Å; E470-V475 HydrophobicContact CB-CB 4.03Å; E470-V475 HydrophobicContact CB-CG2 3.75Å; E470-V475 HydrophobicContact CG-CG2 4.02Å; E470-V475 PolarHBondContact O-N 3.43Å
471Q89Confident91Very high163 Ų16362.4 Ų62.476%0.76238%0.379SS*.Hα-helixtrans-62.9-47.2172.6-67-179.6-7.200111.8G469 M473 G474G469-Q471 PolarHBondContact O-N 3.22Å; Q471-M473 VanDerWaalsContact C-N 3.32Å; Q471-M473 PolarHBondContact O-N 3.24Å; Q471-G474 PolarHBondContact O-N 2.75Å
472T90.3Very high90.5Very high44 Ų4460.8 Ų60.827%0.2738%0.379SS..Hα-helixtrans-63.7-36.7176.8-47.50000112R239 P468 G469 G474 A520R239-T472 HydrophobicContact CB-CG2 3.86Å; P468-T472 HydrophobicContact CB-CG2 4.21Å; G469-T472 WeakPolarHBondContact O-CB 3.47Å; G469-T472 PolarHBondContact O-N 3.03Å; T472-G474 PolarHBondContact O-N 3.2Å; T472-A520 HydrophobicContact CG2-CB 4.17Å
473M90.3Very high90Very high28 Ų2862 Ų6214%0.13839%0.387CS..Hα-helixtrans-71.7-17.4173.8-71.2-168.4-71.200113.3Y83 R241 P468 G469 E470 Q471 V475Y83-M473 HydrophobicContact CE1-CB 4.21Å; Y83-M473 WeakPolarHBondContact CE1-O 3.48Å; R241-M473 HydrophobicContact CB-CB 4.03Å; R241-M473 HydrophobicContact CB-CG 4.4Å; R241-M473 WeakPolarHBondContact CB-O 3.27Å; R241-M473 PolarHBondContact N-O 2.9Å; P468-M473 HydrophobicContact CB-CG 4.16Å; P468-M473 HydrophobicContact CG-CG 3.76Å; P468-M473 HydrophobicContact CG-SD 4.12Å; G469-M473 PolarHBondContact O-N 3.32Å; E470-M473 HydrophobicContact CG-CE 4.27Å; E470-M473 PolarHBondContact O-N 2.88Å; Q471-M473 VanDerWaalsContact C-N 3.32Å; Q471-M473 PolarHBondContact O-N 3.24Å; M473-V475 HydrophobicContact CB-CG2 4.25Å; M473-V475 HydrophobicContact CE-CG2 4.41Å
474G92.1Very high89.1Confident27 Ų2768 Ų6828%0.27842%0.423SS..THydrogen-bonded Turntrans72.834-17500000113.7Y83 E470 Q471 T472 L476Y83-G474 WeakPolarHBondContact CD1-O 3.37Å; E470-G474 PolarHBondContact O-N 3.12Å; Q471-G474 PolarHBondContact O-N 2.75Å; T472-G474 PolarHBondContact O-N 3.2Å; G474-L476 PolarHBondContact O-N 3.4Å
475V93.1Very high87.1Confident33 Ų3370 Ų7020%0.243%0.43CS..PPolyproline II helixtrans-60.7129.4173.1-178.90000108.9Y83 E470 M473Y83-V475 HydrophobicContact CE1-CB 4.17Å; Y83-V475 HydrophobicContact CE1-CG2 3.6Å; Y83-V475 WeakPolarHBondContact OH-CG2 3.45Å; E470-V475 HydrophobicContact CB-CB 4.03Å; E470-V475 HydrophobicContact CB-CG2 3.75Å; E470-V475 HydrophobicContact CG-CG2 4.02Å; E470-V475 PolarHBondContact O-N 3.43Å; M473-V475 HydrophobicContact CB-CG2 4.25Å; M473-V475 HydrophobicContact CE-CG2 4.41Å
476L94.4Very high85Confident30 Ų3068.9 Ų68.916%0.15744%0.437CS..PPolyproline II helixtrans-85.2144.1178.2-59.7171.5000110.5R82 Y83 S227 R228 G474R82-L476 WeakPolarHBondContact O-CB 3.42Å; R82-L476 PolarHBondContact O-N 3.06Å; Y83-L476 VanDerWaalsContact C-CD1 3.49Å; S227-L476 WeakPolarHBondContact O-CD1 3.42Å; R228-L476 VanDerWaalsContact CD-CD1 3.46Å; R228-L476 VanDerWaalsContact CZ-CB 3.48Å; R228-L476 PolarHBondContact NH2-O 3.47Å; G474-L476 PolarHBondContact O-N 3.4Å
477P93.1Very high82.5Confident107 Ų10769.6 Ų69.670%0.69546%0.455SS*.PPolyproline II helixtrans-61.7151-175.525.1-34.6000112.8R228R228-P477 PolarHBondContact NH1-O 3.49Å; R228-P477 VanDerWaalsContact NH1-O 3.14Å; R228-P477 PolarHBondContact NH2-O 3.33Å
478T91.8Very high80.1Confident52 Ų5271.3 Ų71.332%0.31946%0.464SS..  trans-135.6174.4169.959.70000108.7F304 D311F304-T478 HydrophobicContact CD2-CG2 4.36Å; F304-T478 HydrophobicContact CE2-CG2 4.21Å; D311-T478 WeakPolarHBondContact OD2-CB 3.28Å; D311-T478 WeakPolarHBondContact OD2-CG2 3.36Å; D311-T478 PolarHBondContact OD2-OG1 3Å
479S91.7Very high77.7Confident44 Ų4477.4 Ų77.431%0.30849%0.494SS..  trans-135.4148.5-175.1-1730000112.1D309 C310 D311 A481D309-S479 CarbonylContact C-O 3.47Å; C310-S479 PolarHBondContact N-O 3.14Å; D311-S479 WeakPolarHBondContact CB-O 3.4Å; D311-S479 PolarHBondContact N-O 3.37Å; S479-A481 WeakPolarHBondContact OG-CB 3.36Å; S479-A481 PolarHBondContact OG-N 3.45Å; S479-A481 VanDerWaalsContact OG-N 3.08Å
480A90.5Very high75.2Confident38 Ų3881.4 Ų81.431%0.31451%0.514SS..  trans-113.17.6165.600000112.3D309 L314 T315 G482 C483D309-A480 CarbonylContact O-C 3.46Å; L314-A480 HydrophobicContact CB-CB 3.94Å; L314-A480 HydrophobicContact CD1-CB 4.36Å; T315-A480 HydrophobicContact CG2-CB 4.22Å; A480-G482 VanDerWaalsContact C-N 3.31Å; A480-G482 PolarHBondContact O-N 2.78Å; A480-C483 WeakPolarHBondContact O-CB 3.13Å; A480-C483 PolarHBondContact O-N 3.2Å; A480-C483 PolarHBondContact O-SG 3.26Å
481A87.7Confident72.7Confident95 Ų9580.2 Ų80.279%0.78552%0.517SS*.THydrogen-bonded Turntrans-70.9-23-171.200000114.1S479S479-A481 WeakPolarHBondContact OG-CB 3.36Å; S479-A481 PolarHBondContact OG-N 3.45Å; S479-A481 VanDerWaalsContact OG-N 3.08Å
482G82.9Confident70.2Confident48 Ų4877.6 Ų77.650%0.49552%0.515SS..THydrogen-bonded Turntrans-88.70.2174.900000114.1D309 A480 T484D309-G482 VanDerWaalsContact O-CA 3.3Å; D309-G482 WeakPolarHBondContact O-CA 3.3Å; D309-G482 PolarHBondContact O-N 3.25Å; A480-G482 VanDerWaalsContact C-N 3.31Å; A480-G482 PolarHBondContact O-N 2.78Å; G482-T484 PolarHBondContact O-N 3.15Å
483C83.8Confident67.6Low30 Ų3082.4 Ų82.420%0.20355%0.547CS..  trans-72.7116.6176.3-57.20000110.5C310 T315 A480 N485C310-C483 WeakPolarHBondContact CA-SG 3.34Å; C310-C483 HydrophobicContact CB-CB 4.1Å; C310-C483 WeakPolarHBondContact CB-SG 3.49Å; C310-C483 WeakPolarHBondContact SG-CA 3.19Å; C310-C483 WeakPolarHBondContact SG-CB 3.34Å; C310-C483 CovalentContact SG-SG 2.03Å; C310-C483 PolarHBondContact SG-SG 3.29Å; T315-C483 HydrophobicContact CG2-CB 4.01Å; T315-C483 WeakPolarHBondContact CG2-SG 3.33Å; A480-C483 WeakPolarHBondContact O-CB 3.13Å; A480-C483 PolarHBondContact O-N 3.2Å; A480-C483 PolarHBondContact O-SG 3.26Å; C483-N485 PolarHBondContact O-N 2.78Å
484T72.6Confident65.1Low132 Ų13284.7 Ų84.781%0.8158%0.578SS**  trans-62135166.547.10000109.9G482 A486G482-T484 PolarHBondContact O-N 3.15Å; T484-A486 PolarHBondContact O-N 2.89Å
485N48Very low62.3Low148 Ų14887.6 Ų87.679%0.79160%0.599SS**  trans-61.790-177.8-78.3-21.8000112.3C483 S487C483-N485 PolarHBondContact O-N 2.78Å; N485-S487 VanDerWaalsContact C-N 3.28Å; N485-S487 PolarHBondContact O-N 2.78Å
486A46Very low59.4Low94 Ų9490 Ų9078%0.77762%0.622SS**  trans-70.487.9162.900000108.8T484T484-A486 PolarHBondContact O-N 2.89Å
487S37.2Very low56.3Low104 Ų10496.4 Ų96.473%0.72766%0.656SS**  trans43.978.7167-58.30000115.6N485 L489N485-S487 VanDerWaalsContact C-N 3.28Å; N485-S487 PolarHBondContact O-N 2.78Å; S487-L489 PolarHBondContact O-N 2.85Å
488V39.9Very low53.3Low111 Ų11197.2 Ų97.267%0.67366%0.66SS**  trans-57.4104.1157.11760000107.5
489L39.4Very low50.5Low150 Ų15099.8 Ų99.879%0.78568%0.68SS**  trans-54.3133.3161.9-98.483.2000107S487 S491S487-L489 PolarHBondContact O-N 2.85Å; L489-S491 PolarHBondContact O-N 3.31Å
490P36Very low47.6Very low122 Ų122109.6 Ų109.679%0.79271%0.71SS**  trans-64.2101.8-179.925.7-33.1000109.5
491S36.2Very low44.7Very low84 Ų84110.3 Ų110.359%0.58772%0.721SS**  trans-55.8142.9164.752.20000109L489L489-S491 PolarHBondContact O-N 3.31Å
492P37.9Very low42Very low109 Ų109113.3 Ų113.371%0.70872%0.723SS**  trans-53.1143.1-179.1-25.333.7000111.9G494P492-G494 PolarHBondContact O-N 3.22Å
493P34.2Very low39.6Very low145 Ų145115.7 Ų115.794%0.94273%0.729SS**THydrogen-bonded Turntrans-65.899.6-178.326.6-33.6000110.3
494G37.7Very low37.3Very low76 Ų76119.2 Ų119.278%0.78475%0.754SS**THydrogen-bonded Turntrans-176.4-21.1-176.500000115.5P492 A496P492-G494 PolarHBondContact O-N 3.22Å; G494-A496 PolarHBondContact O-N 2.96Å
495A34.8Very low35.7Very low87 Ų87119.1 Ų119.172%0.71976%0.759SS**  trans-92.166.6178.200000112.6
496A32.3Very low35.4Very low84 Ų84115 Ų11569%0.69475%0.751SS**  trans-74.5136.2171.300000111.2G494G494-A496 PolarHBondContact O-N 2.96Å
497N28.9Very low35.4Very low164 Ų164118 Ų11888%0.87775%0.751SS**  trans39.285.1164.7-68.7-9.1000116.8
498T30.5Very low36.4Very low124 Ų124119 Ų11976%0.76175%0.748SS**  trans-116.186.7151.4-280000109.3R500T498-R500 PolarHBondContact O-N 3.36Å; T498-R500 VanDerWaalsContact O-N 3.12Å
499S32.5Very low37.4Very low107 Ų107120 Ų12075%0.74876%0.76SS**  trans-53.3118.4150.540.10000106.6G501S499-G501 PolarHBondContact O-N 2.91Å
500R30.6Very low39.1Very low249 Ų249116.2 Ų116.294%0.9476%0.757SS**  trans-69.579.5163.6-81.5-174.9176163.1-0.3107.1T498T498-R500 PolarHBondContact O-N 3.36Å; T498-R500 VanDerWaalsContact O-N 3.12Å
501G29.3Very low41.4Very low53 Ų53113.7 Ų113.755%0.54673%0.732SS.*  trans-55156.7166.100000109.5S499S499-G501 PolarHBondContact O-N 2.91Å
502I31.2Very low43.8Very low159 Ų159111.6 Ų111.682%0.81572%0.716SS**  trans-33.7127.6167.8-60155.4000109S504I502-S504 VanDerWaalsContact C-N 3.34Å; I502-S504 PolarHBondContact O-N 3.04Å
503P33.4Very low45.9Very low97 Ų97110.6 Ų110.663%0.6372%0.718SS**  trans-60.5103.9171.225.6-32000107.2
504S34.2Very low48.4Very low104 Ų104108.8 Ų108.873%0.72770%0.695SS**  trans-56.9142.8166.850.40000107.2I502 G506I502-S504 VanDerWaalsContact C-N 3.34Å; I502-S504 PolarHBondContact O-N 3.04Å; S504-G506 PolarHBondContact O-N 3.5Å
505S40.3Very low50.7Low131 Ų131105.2 Ų105.292%0.91666%0.658SS**  trans-72.554.2-17957.40000111.9M507S505-M507 PolarHBondContact O-N 2.99Å
506G40.9Very low53Low60 Ų60104 Ų10462%0.61964%0.639SS**  trans-71.7103.9165.800000108.1S504 D508S504-G506 PolarHBondContact O-N 3.5Å; G506-D508 PolarHBondContact O-N 3.49Å
507M46.7Very low55.7Low158 Ų158103.6 Ų103.678%0.77863%0.628SS**  trans-64.9104.7173.7-175.6175-99.700108.4S505 S509S505-M507 PolarHBondContact O-N 2.99Å; M507-S509 PolarHBondContact O-N 3.38Å; M507-S509 PolarHBondContact O-OG 2.87Å
508D57.7Low58.7Low125 Ų12599 Ų9967%0.66860%0.6SS**  trans-49.2107.6173.7-98.9-26.4000108.5G506 G510 R511G506-D508 PolarHBondContact O-N 3.49Å; D508-G510 PolarHBondContact O-N 2.94Å; D508-R511 HydrophobicContact CB-CB 4.13Å; D508-R511 VanDerWaalsContact O-CB 3.31Å; D508-R511 WeakPolarHBondContact O-CB 3.27Å; D508-R511 PolarHBondContact O-N 3.48Å
509S60.2Low61.6Low131 Ų13194.2 Ų94.292%0.91657%0.569SS**THydrogen-bonded Turntrans-73.1-2.2-159.1-45.50000114.2M507M507-S509 PolarHBondContact O-N 3.38Å; M507-S509 PolarHBondContact O-OG 2.87Å
510G75.9Confident64.5Low71 Ų7189.1 Ų89.173%0.73253%0.533SS*.THydrogen-bonded Turntrans-102.90.6169.900000115D508D508-G510 PolarHBondContact O-N 2.94Å
511R84.1Confident67.5Low69 Ų6978.6 Ų78.626%0.2650%0.497SS..SBendtrans-82.3122.7179.9-170.4169.6175.596.81109.7P467 D508 A515 D516P467-R511 PolarHBondContact O-NH1 3Å; P467-R511 PolarHBondContact O-NH2 3.44Å; D508-R511 HydrophobicContact CB-CB 4.13Å; D508-R511 VanDerWaalsContact O-CB 3.31Å; D508-R511 WeakPolarHBondContact O-CB 3.27Å; D508-R511 PolarHBondContact O-N 3.48Å; R511-A515 HydrophobicContact CG-CB 3.6Å; R511-D516 IonicContact CZ-OD1 3.26Å; R511-D516 IonicContact NE-OD1 2.67Å; R511-D516 PolarHBondContact NE-OD1 3.07Å; R511-D516 IonicContact NE-OD2 3.02Å; R511-D516 PolarHBondContact NE-OD2 2.96Å; R511-D516 IonicContact NH2-OD1 3.96Å; R511-D516 PolarHBondContact NH2-OD1 2.92Å
512P86.1Confident70.6Confident40 Ų4076.3 Ų76.326%0.2647%0.472SS..  trans-70.2147.9-174.727.6-33.8000111.3Y466 F514 A515 Y519Y466-P512 HydrophobicContact CD1-CG 4.23Å; Y466-P512 HydrophobicContact CD2-CG 3.9Å; Y466-P512 VanDerWaalsContact CE1-CD 3.45Å; Y466-P512 HydrophobicContact CE1-CG 4.08Å; Y466-P512 HydrophobicContact CE2-CG 3.75Å; Y466-P512 HydrophobicContact CG-CG 4.13Å; P512-F514 PolarHBondContact O-N 3.44Å; P512-A515 HydrophobicContact CG-CB 4.22Å; P512-A515 WeakPolarHBondContact O-CB 3.37Å; P512-A515 PolarHBondContact O-N 2.94Å; P512-Y519 HydrophobicContact CG-CE2 4.4Å
513A83.4Confident73.6Confident89 Ų8968.9 Ų68.974%0.73643%0.434SS*.THydrogen-bonded Turntrans-56.8-24-177.600000114.8A515 T517A513-A515 VanDerWaalsContact C-N 3.32Å; A513-T517 PolarHBondContact O-OG1 3.09Å
514F86.8Confident76.5Confident107 Ų10764.3 Ų64.347%0.46940%0.404SS..THydrogen-bonded Turntrans-73-19.2174-63.9-67.5000114P512 D516 T517 F518 Y519P512-F514 PolarHBondContact O-N 3.44Å; F514-D516 PolarHBondContact O-N 2.88Å; F514-T517 WeakPolarHBondContact CA-OG1 3.29Å; F514-T517 PolarHBondContact O-N 3.25Å; F514-T517 PolarHBondContact O-OG1 3.02Å; F514-F518 HydrophobicContact CB-CB 4.42Å; F514-F518 HydrophobicContact CD1-CB 4.16Å; F514-F518 PolarHBondContact O-N 3.33Å; F514-Y519 HydrophobicContact CB-CD1 4.31Å; F514-Y519 HydrophobicContact CB-CD2 4.22Å; F514-Y519 HydrophobicContact CB-CE1 3.94Å; F514-Y519 HydrophobicContact CB-CE2 3.86Å; F514-Y519 HydrophobicContact CB-CG 4.42Å; F514-Y519 PolarHBondContact O-N 3.3Å
515A85.5Confident79.4Confident0 Ų060.9 Ų60.90%038%0.376CS..THydrogen-bonded Turntrans-60.9-46.9-175.200000112.7Y466 R511 P512 A513 T517 Y519 A520Y466-A515 HydrophobicContact CG-CB 4.34Å; R511-A515 HydrophobicContact CG-CB 3.6Å; P512-A515 HydrophobicContact CG-CB 4.22Å; P512-A515 WeakPolarHBondContact O-CB 3.37Å; P512-A515 PolarHBondContact O-N 2.94Å; A513-A515 VanDerWaalsContact C-N 3.32Å; A515-T517 VanDerWaalsContact C-N 3.31Å; A515-Y519 HydrophobicContact CB-CD2 4.44Å; A515-A520 WeakPolarHBondContact O-CB 3.15Å; A515-A520 PolarHBondContact O-N 3.23Å; A515-A520 VanDerWaalsContact O-N 3.13Å
516D82.8Confident82Confident62 Ų6255 Ų5533%0.33233%0.333SS..THydrogen-bonded Turntrans-94.98.4-174.3-53.4-41.3000112.9R239 R511 F514R239-D516 WeakPolarHBondContact CD-O 3.45Å; R239-D516 PolarHBondContact NH1-O 3.2Å; R511-D516 IonicContact CZ-OD1 3.26Å; R511-D516 IonicContact NE-OD1 2.67Å; R511-D516 PolarHBondContact NE-OD1 3.07Å; R511-D516 IonicContact NE-OD2 3.02Å; R511-D516 PolarHBondContact NE-OD2 2.96Å; R511-D516 IonicContact NH2-OD1 3.96Å; R511-D516 PolarHBondContact NH2-OD1 2.92Å; F514-D516 PolarHBondContact O-N 2.88Å
517T88.9Confident84.5Confident76 Ų7652.1 Ų52.147%0.46630%0.304SS..THydrogen-bonded Turntrans-125.8-85.9179.155.10000110.8A513 F514 A515 A520A513-T517 PolarHBondContact O-OG1 3.09Å; F514-T517 WeakPolarHBondContact CA-OG1 3.29Å; F514-T517 PolarHBondContact O-N 3.25Å; F514-T517 PolarHBondContact O-OG1 3.02Å; A515-T517 VanDerWaalsContact C-N 3.31Å; T517-A520 PolarHBondContact O-N 2.83Å
518F91.4Very high86.8Confident66 Ų6644.9 Ų44.929%0.28927%0.269SS..THydrogen-bonded Turntrans-72.9-37.6-172.2-169.5-132.8000113.4V455 V459 F514 V521 L529V455-F518 HydrophobicContact CG1-CZ 4.35Å; V459-F518 HydrophobicContact CG2-CD1 3.85Å; V459-F518 HydrophobicContact CG2-CD2 4.23Å; V459-F518 HydrophobicContact CG2-CE1 3.3Å; V459-F518 HydrophobicContact CG2-CE2 3.72Å; V459-F518 HydrophobicContact CG2-CG 4.29Å; V459-F518 HydrophobicContact CG2-CZ 3.23Å; F514-F518 HydrophobicContact CB-CB 4.42Å; F514-F518 HydrophobicContact CD1-CB 4.16Å; F514-F518 PolarHBondContact O-N 3.33Å; F518-V521 WeakPolarHBondContact O-CG2 3.33Å; F518-L529 HydrophobicContact CE2-CD2 4.2Å; F518-L529 HydrophobicContact CZ-CD2 4.21Å
519Y92.3Very high88.6Confident24 Ų2441.1 Ų41.19%0.09425%0.249CC..THydrogen-bonded Turntrans-80.7-21.1176.2-53.3-19.6000112.3W458 A463 Y466 P512 F514 A515 V521W458-Y519 AromaticContact CD1-CE1 3.78Å; W458-Y519 AromaticContact NE1-CE1 3.55Å; W458-Y519 AromaticContact NE1-CZ 3.68Å; W458-Y519 PolarHBondContact NE1-OH 2.92Å; A463-Y519 VanDerWaalsContact CB-O 3.24Å; A463-Y519 WeakPolarHBondContact CB-O 3.44Å; Y466-Y519 HydrophobicContact CD2-CD2 4.15Å; Y466-Y519 HydrophobicContact CD2-CE2 4.12Å; P512-Y519 HydrophobicContact CG-CE2 4.4Å; F514-Y519 HydrophobicContact CB-CD1 4.31Å; F514-Y519 HydrophobicContact CB-CD2 4.22Å; F514-Y519 HydrophobicContact CB-CE1 3.94Å; F514-Y519 HydrophobicContact CB-CE2 3.86Å; F514-Y519 HydrophobicContact CB-CG 4.42Å; F514-Y519 PolarHBondContact O-N 3.3Å; A515-Y519 HydrophobicContact CB-CD2 4.44Å; Y519-V521 PolarHBondContact O-N 2.92Å
520A92.5Very high90.3Very high1 Ų134.9 Ų34.91%0.00821%0.205CC..THydrogen-bonded Turntrans-73.2-12.517500000113.7R239 P468 T472 A515 T517 S522R239-A520 VanDerWaalsContact CA-O 3.3Å; R239-A520 WeakPolarHBondContact CA-O 3.45Å; R239-A520 HydrophobicContact CB-CB 4.13Å; R239-A520 HydrophobicContact CG-CB 3.94Å; P468-A520 HydrophobicContact CB-CB 4.01Å; T472-A520 HydrophobicContact CG2-CB 4.17Å; A515-A520 WeakPolarHBondContact O-CB 3.15Å; A515-A520 PolarHBondContact O-N 3.23Å; A515-A520 VanDerWaalsContact O-N 3.13Å; T517-A520 PolarHBondContact O-N 2.83Å; A520-S522 PolarHBondContact O-N 3.28Å
521V93.8Very high91.4Very high27 Ų2731.7 Ų31.716%0.16417%0.171CC..SBendtrans-55.5134176.7173.50000110.6P238 F518 Y519 Y523 Y525 Y526P238-V521 HydrophobicContact CB-CG1 4.48Å; P238-V521 WeakPolarHBondContact O-CA 3.49Å; F518-V521 WeakPolarHBondContact O-CG2 3.33Å; Y519-V521 PolarHBondContact O-N 2.92Å; V521-Y523 PolarHBondContact O-N 3.1Å; V521-Y525 HydrophobicContact CG1-CD2 4.05Å; V521-Y525 HydrophobicContact CG1-CG 4.3Å; V521-Y526 HydrophobicContact CG1-CE1 4.46Å; V521-Y526 VanDerWaalsContact O-CE1 3.22Å; V521-Y526 WeakPolarHBondContact O-CE1 3.36Å; V521-Y526 PolarHBondContact O-OH 2.63Å; V521-Y526 VanDerWaalsContact O-OH 3.1Å
522S94.6Very high92Very high6 Ų632.8 Ų32.84%0.04218%0.182CC..  trans-57.9137.7-180-179.50000111.9P238 R241 T246 A520 L524 Y525P238-S522 PolarHBondContact O-N 3.08Å; R241-S522 PolarHBondContact O-OG 3.49Å; T246-S522 WeakPolarHBondContact CG2-OG 3.11Å; A520-S522 PolarHBondContact O-N 3.28Å; S522-L524 PolarHBondContact O-N 2.79Å; S522-Y525 WeakPolarHBondContact O-CB 3.44Å; S522-Y525 PolarHBondContact O-N 2.87Å
523Y93.5Very high92.5Very high3 Ų332 Ų321%0.01218%0.177CC..G310 helixtrans-56.9-24.4-176.769.2-91000114R241 Y242 L413 Q414 F417 V521 Y525 Y526R241-Y523 HydrophobicContact CG-CE1 4.13Å; Y242-Y523 HydrophobicContact CE1-CE1 4.17Å; Y242-Y523 WeakPolarHBondContact CE1-OH 3.38Å; Y242-Y523 PolarHBondContact OH-OH 2.81Å; L413-Y523 VanDerWaalsContact CD2-OH 3.23Å; L413-Y523 WeakPolarHBondContact CD2-OH 3.09Å; Q414-Y523 HydrophobicContact CB-CD1 4.43Å; Q414-Y523 HydrophobicContact CB-CE1 4.44Å; Q414-Y523 HydrophobicContact CG-CD1 3.84Å; Q414-Y523 HydrophobicContact CG-CD2 4.43Å; Q414-Y523 HydrophobicContact CG-CE1 4.34Å; Q414-Y523 HydrophobicContact CG-CG 3.91Å; F417-Y523 HydrophobicContact CB-CD2 3.62Å; F417-Y523 HydrophobicContact CB-CE2 3.45Å; F417-Y523 VanDerWaalsContact CB-CE2 3.45Å; F417-Y523 AromaticContact CD2-CE2 3.84Å; F417-Y523 HydrophobicContact CD2-CE2 3.84Å; F417-Y523 AromaticContact CG-CE2 3.96Å; F417-Y523 HydrophobicContact CG-CE2 3.96Å; V521-Y523 PolarHBondContact O-N 3.1Å; Y523-Y525 PolarHBondContact O-N 3.02Å; Y523-Y526 PolarHBondContact O-N 2.83Å
524L94.4Very high93.3Very high0 Ų027.8 Ų27.80%014%0.142CC..G310 helixtrans-66.7-21.7174.8-68.3176.4000113.1M90 Y242 T246 F247 G250 V254 F417 S522M90-L524 HydrophobicContact CE-CD1 4.01Å; M90-L524 HydrophobicContact CE-CD2 3.77Å; Y242-L524 HydrophobicContact CD1-CD1 4.18Å; Y242-L524 HydrophobicContact CE1-CD1 3.97Å; T246-L524 HydrophobicContact CG2-CB 3.85Å; T246-L524 HydrophobicContact CG2-CD1 3.97Å; T246-L524 HydrophobicContact CG2-CG 4.44Å; F247-L524 HydrophobicContact CD1-CD1 3.71Å; F247-L524 HydrophobicContact CE1-CD1 3.6Å; F247-L524 HydrophobicContact CZ-CD1 4.44Å; G250-L524 CarbonylContact C-O 3.57Å; G250-L524 VanDerWaalsContact C-O 3.31Å; G250-L524 VanDerWaalsContact CA-O 3.29Å; G250-L524 WeakPolarHBondContact CA-O 3.45Å; V254-L524 VanDerWaalsContact CG2-O 3.29Å; V254-L524 WeakPolarHBondContact CG2-O 3.4Å; F417-L524 HydrophobicContact CB-CD2 4.41Å; F417-L524 HydrophobicContact CD1-CD2 4.4Å; F417-L524 HydrophobicContact CD2-CD2 4.47Å; F417-L524 HydrophobicContact CG-CD2 4.2Å; S522-L524 PolarHBondContact O-N 2.79Å
525Y95.6Very high93.8Very high33 Ų3325.4 Ų25.413%0.12913%0.133CC..G310 helixtrans-84.7-10.6174.4-70.4-66.2000113.8P238 W245 T246 V249 V521 S522 Y523 G527 A528 L529P238-Y525 HydrophobicContact CB-CD2 4.13Å; P238-Y525 HydrophobicContact CB-CE2 3.88Å; W245-Y525 VanDerWaalsContact C-OH 3.24Å; W245-Y525 PolarHBondContact O-OH 3.25Å; T246-Y525 WeakPolarHBondContact CA-OH 3.37Å; T246-Y525 HydrophobicContact CG2-CD2 4.11Å; T246-Y525 HydrophobicContact CG2-CE2 3.71Å; T246-Y525 PolarHBondContact N-OH 2.84Å; T246-Y525 WeakPolarHBondContact OG1-CE2 3.39Å; V249-Y525 HydrophobicContact CB-CE1 4.19Å; V249-Y525 HydrophobicContact CG1-CE1 4.26Å; V521-Y525 HydrophobicContact CG1-CD2 4.05Å; V521-Y525 HydrophobicContact CG1-CG 4.3Å; S522-Y525 WeakPolarHBondContact O-CB 3.44Å; S522-Y525 PolarHBondContact O-N 2.87Å; Y523-Y525 PolarHBondContact O-N 3.02Å; Y525-G527 VanDerWaalsContact C-N 3.29Å; Y525-G527 PolarHBondContact O-N 2.95Å; Y525-A528 HydrophobicContact CD1-CB 4.47Å; Y525-A528 WeakPolarHBondContact O-CB 3.32Å; Y525-A528 PolarHBondContact O-N 3.12Å; Y525-L529 WeakPolarHBondContact O-CB 3.41Å; Y525-L529 PolarHBondContact O-N 3.17Å
526Y95.1Very high94.4Very high7 Ų731.3 Ų31.33%0.02716%0.164CC..Hα-helixtrans-63.9-36.1-177-59.8-9.4000112.1T418 V422 V459 A460 A463 V521 Y523 G530T418-Y526 HydrophobicContact CG2-CD2 4.15Å; T418-Y526 HydrophobicContact CG2-CE2 4.32Å; V422-Y526 HydrophobicContact CG2-CD2 4.14Å; V459-Y526 HydrophobicContact CB-CD1 4.49Å; V459-Y526 HydrophobicContact CB-CE1 4.45Å; V459-Y526 HydrophobicContact CG1-CD1 3.71Å; V459-Y526 HydrophobicContact CG1-CE1 3.32Å; A460-Y526 HydrophobicContact CB-CD2 3.97Å; A460-Y526 HydrophobicContact CB-CE2 4.02Å; A463-Y526 WeakPolarHBondContact CB-OH 3.4Å; V521-Y526 HydrophobicContact CG1-CE1 4.46Å; V521-Y526 VanDerWaalsContact O-CE1 3.22Å; V521-Y526 WeakPolarHBondContact O-CE1 3.36Å; V521-Y526 PolarHBondContact O-OH 2.63Å; V521-Y526 VanDerWaalsContact O-OH 3.1Å; Y523-Y526 PolarHBondContact O-N 2.83Å; Y526-G530 PolarHBondContact O-N 3.32Å
527G93.2Very high95.1Very high0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-67.4-39.2171.800000113.1G421 Y525 T531G421-G527 VanDerWaalsContact O-CA 3.27Å; G421-G527 WeakPolarHBondContact O-CA 3.47Å; Y525-G527 VanDerWaalsContact C-N 3.29Å; Y525-G527 PolarHBondContact O-N 2.95Å; G527-T531 VanDerWaalsContact O-CB 3.31Å; G527-T531 WeakPolarHBondContact O-CB 3.29Å; G527-T531 PolarHBondContact O-N 2.6Å; G527-T531 PolarHBondContact O-OG1 3.41Å
528A94.9Very high95.5Very high6 Ų626.8 Ų26.85%0.0514%0.14CC..Hα-helixtrans-63.4-46.917500000111.4L253 Y525 T531 L532L253-A528 HydrophobicContact CB-CB 4.2Å; L253-A528 HydrophobicContact CD1-CB 3.49Å; L253-A528 VanDerWaalsContact CD1-CB 3.49Å; L253-A528 HydrophobicContact CG-CB 4.49Å; Y525-A528 HydrophobicContact CD1-CB 4.47Å; Y525-A528 WeakPolarHBondContact O-CB 3.32Å; Y525-A528 PolarHBondContact O-N 3.12Å; A528-T531 PolarHBondContact O-N 3.47Å; A528-L532 WeakPolarHBondContact O-CB 3.42Å; A528-L532 VanDerWaalsContact O-CG 3.25Å; A528-L532 WeakPolarHBondContact O-CG 3.5Å; A528-L532 PolarHBondContact O-N 2.98Å
529L95.9Very high95.8Very high46 Ų4624.6 Ų24.624%0.24113%0.133CC..Hα-helixtrans-57.8-52.8176.4-177.663.2000111.4V455 V459 F518 Y525 T531 L532 T533V455-L529 HydrophobicContact CG1-CD1 4.06Å; V455-L529 HydrophobicContact CG1-CD2 3.76Å; V455-L529 HydrophobicContact CG1-CG 3.8Å; V459-L529 HydrophobicContact CB-CD2 4.35Å; V459-L529 HydrophobicContact CG2-CD2 3.6Å; F518-L529 HydrophobicContact CE2-CD2 4.2Å; F518-L529 HydrophobicContact CZ-CD2 4.21Å; Y525-L529 WeakPolarHBondContact O-CB 3.41Å; Y525-L529 PolarHBondContact O-N 3.17Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 3.01Å; L529-L532 PolarHBondContact O-N 3.42Å; L529-T533 WeakPolarHBondContact O-CB 3.44Å; L529-T533 PolarHBondContact O-N 3.04Å; L529-T533 PolarHBondContact O-OG1 3.34Å; L529-T533 VanDerWaalsContact O-OG1 3.1Å
530G96.7Very high96.1Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-60.8-38.5177.900000113.6Y526 T534Y526-G530 PolarHBondContact O-N 3.32Å; G530-T534 WeakPolarHBondContact O-CB 3.31Å; G530-T534 PolarHBondContact O-N 2.96Å; G530-T534 PolarHBondContact O-OG1 3.45Å
531T97.3Very high96.3Very high3 Ų330.9 Ų30.92%0.01817%0.167CC..Hα-helixtrans-63.3-52.7175.1-55.40000111G425 L428 G527 A528 L529 T534 M535G425-T531 WeakPolarHBondContact CA-OG1 3.5Å; G425-T531 WeakPolarHBondContact O-CA 3.49Å; G425-T531 PolarHBondContact O-OG1 2.96Å; L428-T531 HydrophobicContact CB-CG2 4.43Å; L428-T531 HydrophobicContact CD2-CG2 4.02Å; L428-T531 HydrophobicContact CG-CG2 4.05Å; G527-T531 VanDerWaalsContact O-CB 3.31Å; G527-T531 WeakPolarHBondContact O-CB 3.29Å; G527-T531 PolarHBondContact O-N 2.6Å; G527-T531 PolarHBondContact O-OG1 3.41Å; A528-T531 PolarHBondContact O-N 3.47Å; L529-T531 VanDerWaalsContact C-N 3.33Å; L529-T531 PolarHBondContact O-N 3.01Å; T531-T534 PolarHBondContact O-N 2.95Å; T531-M535 HydrophobicContact CG2-SD 4.04Å; T531-M535 WeakPolarHBondContact O-CG 3.46Å; T531-M535 PolarHBondContact O-N 2.94Å
532L97.1Very high96.5Very high93 Ų9329.6 Ų29.649%0.48716%0.159SC..Hα-helixtrans-66.7-44-176.3-69.5171.5000111.7A528 L529 T534 M535 L536A528-L532 WeakPolarHBondContact O-CB 3.42Å; A528-L532 VanDerWaalsContact O-CG 3.25Å; A528-L532 WeakPolarHBondContact O-CG 3.5Å; A528-L532 PolarHBondContact O-N 2.98Å; L529-L532 PolarHBondContact O-N 3.42Å; L532-T534 VanDerWaalsContact C-N 3.32Å; L532-T534 PolarHBondContact O-N 2.91Å; L532-M535 PolarHBondContact O-N 3.04Å; L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 3.02Å
533T98Very high96.6Very high24 Ų2435.9 Ų35.915%0.14718%0.183CC..Hα-helixtrans-59.5-43.5173.6-62.70000111A451 V455 L529 M535 L536 C537A451-T533 HydrophobicContact CB-CG2 3.94Å; V455-T533 HydrophobicContact CB-CG2 4.34Å; V455-T533 HydrophobicContact CG2-CG2 4.06Å; L529-T533 WeakPolarHBondContact O-CB 3.44Å; L529-T533 PolarHBondContact O-N 3.04Å; L529-T533 PolarHBondContact O-OG1 3.34Å; L529-T533 VanDerWaalsContact O-OG1 3.1Å; T533-M535 PolarHBondContact O-N 2.67Å; T533-L536 PolarHBondContact O-N 3.01Å; T533-C537 VanDerWaalsContact O-CB 3.29Å; T533-C537 WeakPolarHBondContact O-CB 3.2Å; T533-C537 PolarHBondContact O-N 3.06Å; T533-C537 PolarHBondContact O-SG 3.3Å
534T98.3Very high96.7Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-61.1-44.8175.8-62.80000111.9P426 A430 G448 L449 G452 G530 T531 L532 G538P426-T534 VanDerWaalsContact CA-OG1 3.3Å; P426-T534 WeakPolarHBondContact CA-OG1 3.32Å; P426-T534 WeakPolarHBondContact CB-OG1 3.31Å; P426-T534 WeakPolarHBondContact O-CG2 3.4Å; A430-T534 HydrophobicContact CB-CG2 4.47Å; G448-T534 WeakPolarHBondContact O-CA 3.19Å; G448-T534 PolarHBondContact O-OG1 3.43Å; L449-T534 HydrophobicContact CD2-CG2 4.47Å; G452-T534 WeakPolarHBondContact CA-OG1 3.39Å; G530-T534 WeakPolarHBondContact O-CB 3.31Å; G530-T534 PolarHBondContact O-N 2.96Å; G530-T534 PolarHBondContact O-OG1 3.45Å; T531-T534 PolarHBondContact O-N 2.95Å; L532-T534 VanDerWaalsContact C-N 3.32Å; L532-T534 PolarHBondContact O-N 2.91Å; T534-G538 WeakPolarHBondContact O-CA 3.4Å; T534-G538 PolarHBondContact O-N 3.23Å
535M98Very high96.8Very high56 Ų5645.6 Ų45.628%0.27624%0.237SC..Hα-helixtrans-65.3-47.5179.4-72.3176.964.700112.2T432 L433 T531 L532 T533 A539T432-M535 HydrophobicContact CG2-CE 3.64Å; T432-M535 HydrophobicContact CG2-SD 3.83Å; L433-M535 HydrophobicContact CD2-CB 4.17Å; L433-M535 HydrophobicContact CD2-CG 4.2Å; L433-M535 HydrophobicContact CG-CG 4.28Å; T531-M535 HydrophobicContact CG2-SD 4.04Å; T531-M535 WeakPolarHBondContact O-CG 3.46Å; T531-M535 PolarHBondContact O-N 2.94Å; L532-M535 PolarHBondContact O-N 3.04Å; T533-M535 PolarHBondContact O-N 2.67Å; M535-A539 WeakPolarHBondContact O-CB 3.33Å; M535-A539 PolarHBondContact O-N 2.87Å
536L97.7Very high96.7Very high125 Ų12546 Ų4665%0.65425%0.251SS*.Hα-helixtrans-65.8-53.7-178.2-69.3172.3000111.7L532 T533 G538 L540L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.37Å; L532-L536 PolarHBondContact O-N 3.02Å; T533-L536 PolarHBondContact O-N 3.01Å; L536-G538 VanDerWaalsContact C-N 3.34Å; L536-G538 PolarHBondContact O-N 2.83Å; L536-L540 VanDerWaalsContact O-CB 3.28Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 PolarHBondContact O-N 3.25Å
537C98.1Very high96.5Very high43 Ų4348.6 Ų48.629%0.29127%0.27SS..Hα-helixtrans-64.1-40.9178.4-660000111.3A451 T533 L540 I541A451-C537 HydrophobicContact CB-CB 4.1Å; T533-C537 VanDerWaalsContact O-CB 3.29Å; T533-C537 WeakPolarHBondContact O-CB 3.2Å; T533-C537 PolarHBondContact O-N 3.06Å; T533-C537 PolarHBondContact O-SG 3.3Å; C537-L540 PolarHBondContact O-N 3.22Å; C537-I541 WeakPolarHBondContact O-CB 3.06Å; C537-I541 VanDerWaalsContact O-CG1 3.3Å; C537-I541 WeakPolarHBondContact O-CG1 3.48Å; C537-I541 PolarHBondContact O-N 3.42Å
538G98.2Very high96.5Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-70.1-36.9-178.100000113.9G444 T534 L536 S542G444-G538 WeakPolarHBondContact O-CA 3.33Å; T534-G538 WeakPolarHBondContact O-CA 3.4Å; T534-G538 PolarHBondContact O-N 3.23Å; L536-G538 VanDerWaalsContact C-N 3.34Å; L536-G538 PolarHBondContact O-N 2.83Å; G538-S542 VanDerWaalsContact O-CB 3.32Å; G538-S542 WeakPolarHBondContact O-CB 3.47Å; G538-S542 PolarHBondContact O-N 3.21Å; G538-S542 VanDerWaalsContact O-N 3.15Å; G538-S542 PolarHBondContact O-OG 3.46Å
539A97.6Very high96.3Very high19 Ų1957.7 Ų57.716%0.15731%0.311CS..Hα-helixtrans-66-52.2170.500000111L433 L437 M535 I541 S542 Y543L433-A539 HydrophobicContact CD2-CB 4.36Å; L437-A539 HydrophobicContact CD1-CB 4.43Å; M535-A539 WeakPolarHBondContact O-CB 3.33Å; M535-A539 PolarHBondContact O-N 2.87Å; A539-I541 PolarHBondContact O-N 3.17Å; A539-S542 WeakPolarHBondContact O-CB 2.98Å; A539-S542 PolarHBondContact O-N 3.21Å; A539-S542 VanDerWaalsContact O-N 3.09Å; A539-Y543 VanDerWaalsContact O-CD2 3.22Å; A539-Y543 WeakPolarHBondContact O-CD2 3.26Å; A539-Y543 PolarHBondContact O-N 2.93Å
540L97.6Very high95.8Very high105 Ų10560.8 Ų60.855%0.5532%0.319SS..Hα-helixtrans-55.4-52.6-178.4178.462.2000112.1L536 C537 S542 Y543 L544L536-L540 VanDerWaalsContact O-CB 3.28Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 PolarHBondContact O-N 3.25Å; C537-L540 PolarHBondContact O-N 3.22Å; L540-S542 VanDerWaalsContact C-N 3.29Å; L540-S542 PolarHBondContact O-N 2.96Å; L540-Y543 PolarHBondContact O-N 2.89Å; L540-L544 HydrophobicContact CD1-CD1 4.1Å; L540-L544 HydrophobicContact CD1-CG 4.43Å; L540-L544 HydrophobicContact CG-CD1 4.05Å; L540-L544 WeakPolarHBondContact O-CG 3.2Å; L540-L544 PolarHBondContact O-N 3.22Å
541I97.7Very high95.4Very high52 Ų5266.2 Ų66.227%0.26736%0.357SS..Hα-helixtrans-65.2-32.9179.2-62-62000111.2C537 A539 L544 T545C537-I541 WeakPolarHBondContact O-CB 3.06Å; C537-I541 VanDerWaalsContact O-CG1 3.3Å; C537-I541 WeakPolarHBondContact O-CG1 3.48Å; C537-I541 PolarHBondContact O-N 3.42Å; A539-I541 PolarHBondContact O-N 3.17Å; I541-L544 HydrophobicContact CD1-CD1 4.38Å; I541-L544 PolarHBondContact O-N 2.84Å; I541-T545 HydrophobicContact CG2-CG2 3.93Å; I541-T545 WeakPolarHBondContact O-CB 3.3Å; I541-T545 WeakPolarHBondContact O-CG2 3.3Å; I541-T545 PolarHBondContact O-N 3.35Å; I541-T545 PolarHBondContact O-OG1 3.06Å
542S97.4Very high95Very high0 Ų070.1 Ų70.10%039%0.385CS..Hα-helixtrans-63.7-40.9174.3-62.10000112.9C440 N441 G538 A539 L540 G546C440-S542 WeakPolarHBondContact CA-OG 3.44Å; N441-S542 PolarHBondContact N-OG 3.42Å; N441-S542 PolarHBondContact ND2-O 3.5Å; N441-S542 PolarHBondContact OD1-OG 3.42Å; G538-S542 VanDerWaalsContact O-CB 3.32Å; G538-S542 WeakPolarHBondContact O-CB 3.47Å; G538-S542 PolarHBondContact O-N 3.21Å; G538-S542 VanDerWaalsContact O-N 3.15Å; G538-S542 PolarHBondContact O-OG 3.46Å; A539-S542 WeakPolarHBondContact O-CB 2.98Å; A539-S542 PolarHBondContact O-N 3.21Å; A539-S542 VanDerWaalsContact O-N 3.09Å; L540-S542 VanDerWaalsContact C-N 3.29Å; L540-S542 PolarHBondContact O-N 2.96Å; S542-G546 CarbonylContact O-C 3.17Å; S542-G546 VanDerWaalsContact O-C 3.31Å; S542-G546 PolarHBondContact O-N 3.42Å
543Y96.1Very high94.6Very high139 Ų13967.1 Ų67.155%0.54537%0.369SS..Hα-helixtrans-67.2-39.2175.5-79.1-73.1000111.9A439 A539 L540 P547A439-Y543 HydrophobicContact CB-CE1 3.98Å; A439-Y543 HydrophobicContact CB-CE2 4.48Å; A539-Y543 VanDerWaalsContact O-CD2 3.22Å; A539-Y543 WeakPolarHBondContact O-CD2 3.26Å; A539-Y543 PolarHBondContact O-N 2.93Å; L540-Y543 PolarHBondContact O-N 2.89Å; Y543-P547 HydrophobicContact CD1-CB 4.29Å; Y543-P547 HydrophobicContact CD1-CG 4.43Å
544L96.6Very high94Very high129 Ų12967.6 Ų67.668%0.67538%0.379SS*.Hα-helixtrans-72.1-32.8179.1-67.3172.7000113.7L540 I541L540-L544 HydrophobicContact CD1-CD1 4.1Å; L540-L544 HydrophobicContact CD1-CG 4.43Å; L540-L544 HydrophobicContact CG-CD1 4.05Å; L540-L544 WeakPolarHBondContact O-CG 3.2Å; L540-L544 PolarHBondContact O-N 3.22Å; I541-L544 HydrophobicContact CD1-CD1 4.38Å; I541-L544 PolarHBondContact O-N 2.84Å
545T96.1Very high93.3Very high77 Ų7772.7 Ų72.747%0.47241%0.412SS..THydrogen-bonded Turntrans-93.76.3-177.555.40000114.2N441 P443 I541N441-T545 PolarHBondContact ND2-OG1 3.29Å; N441-T545 PolarHBondContact OD1-OG1 2.87Å; P443-T545 HydrophobicContact CB-CG2 4.4Å; I541-T545 HydrophobicContact CG2-CG2 3.93Å; I541-T545 WeakPolarHBondContact O-CB 3.3Å; I541-T545 WeakPolarHBondContact O-CG2 3.3Å; I541-T545 PolarHBondContact O-N 3.35Å; I541-T545 PolarHBondContact O-OG1 3.06Å
546G92.6Very high92.6Very high41 Ų4170.1 Ų70.142%0.42340%0.399SS..  trans99.2104.1-178.500000111.9N441 S542N441-G546 PolarHBondContact ND2-O 2.82Å; S542-G546 CarbonylContact O-C 3.17Å; S542-G546 VanDerWaalsContact O-C 3.31Å; S542-G546 PolarHBondContact O-N 3.42Å
547P92Very high92.3Very high63 Ų6364.6 Ų64.641%0.40937%0.371SS..PPolyproline II helixtrans-68.9140.6-175.526.8-34.5000112.1A439 Y543 K549A439-P547 HydrophobicContact CB-CB 3.82Å; A439-P547 CarbonylContact O-C 3.59Å; A439-P547 VanDerWaalsContact O-CA 3.28Å; A439-P547 WeakPolarHBondContact O-CA 3.39Å; Y543-P547 HydrophobicContact CD1-CB 4.29Å; Y543-P547 HydrophobicContact CD1-CG 4.43Å; P547-K549 PolarHBondContact O-N 3.18Å
548T92.2Very high92Very high35 Ų3562.5 Ų62.522%0.21536%0.357CS..PPolyproline II helixtrans-64130177.8-53.10000110.4P438 A439 C440 N441 L553P438-T548 WeakPolarHBondContact O-CB 3.41Å; A439-T548 PolarHBondContact O-N 3.22Å; C440-T548 PolarHBondContact O-OG1 2.88Å; N441-T548 WeakPolarHBondContact CB-OG1 3.5Å; T548-L553 HydrophobicContact CG2-CD2 3.87Å; T548-L553 HydrophobicContact CG2-CG 4.35Å
549K90.1Very high91.5Very high161 Ų16167 Ų6770%0.737%0.374SS*.PPolyproline II helixtrans-73.8133.1175.1-65.9-176.8-178.81790109.5P547 S551 S552P547-K549 PolarHBondContact O-N 3.18Å; K549-S551 PolarHBondContact O-N 3.26Å; K549-S551 VanDerWaalsContact O-N 3.07Å; K549-S552 PolarHBondContact O-N 2.79Å; K549-S552 PolarHBondContact O-OG 3.21Å
550R86.9Confident90.9Very high111 Ų11169.3 Ų69.342%0.41938%0.378SS..G310 helixtrans-54.9-31.9179.1-175.8178177.2178.9-0.3113.2P438 S552 L553 L558 W560 D561P438-R550 HydrophobicContact CB-CB 4.38Å; R550-S552 PolarHBondContact O-N 3.32Å; R550-L553 PolarHBondContact O-N 2.03Å; R550-L558 HydrophobicContact CG-CD1 4.32Å; R550-W560 VanDerWaalsContact NH2-NE1 3.11Å; R550-D561 IonicContact CZ-OD1 3.69Å; R550-D561 IonicContact NH2-OD1 3.03Å; R550-D561 PolarHBondContact NH2-OD1 2.99Å
551S87.2Confident90.1Very high114 Ų11465.7 Ų65.780%0.79736%0.36SS*.G310 helixtrans-68.2-12.9179.255.30000115.1K549K549-S551 PolarHBondContact O-N 3.26Å; K549-S551 VanDerWaalsContact O-N 3.07Å
552S88.8Confident88.9Confident86 Ų8663.5 Ų63.560%0.60135%0.348SS*.G310 helixtrans-95.94174.369.20000113.6K549 R550K549-S552 PolarHBondContact O-N 2.79Å; K549-S552 PolarHBondContact O-OG 3.21Å; R550-S552 PolarHBondContact O-N 3.32Å
553L89.5Confident87.1Confident30 Ų3066 Ų6616%0.15737%0.369CS..SBendtrans-93.5136.1179.7-60.7176.3000110.6P438 T548 R550 L558P438-L553 HydrophobicContact CB-CD1 4.04Å; T548-L553 HydrophobicContact CG2-CD2 3.87Å; T548-L553 HydrophobicContact CG2-CG 4.35Å; R550-L553 PolarHBondContact O-N 2.03Å; L553-L558 HydrophobicContact CD1-CD1 3.87Å; L553-L558 HydrophobicContact CD1-CD2 4.39Å; L553-L558 HydrophobicContact CD1-CG 4.27Å
554G84.4Confident85.4Confident34 Ų3467.2 Ų67.235%0.35137%0.372SS..PPolyproline II helixtrans-63.3150.4173.600000112.7L557G554-L557 WeakPolarHBondContact O-CG 3.43Å; G554-L557 PolarHBondContact O-N 3.29Å
555P84Confident83.5Confident107 Ų10765.5 Ų65.570%0.69536%0.361SS*.THydrogen-bonded Turntrans-62.2141.1-18026.9-34.8000111.4L557P555-L557 VanDerWaalsContact C-N 3.31Å; P555-L557 PolarHBondContact O-N 3.46Å
556G84.7Confident81.4Confident1 Ų165 Ų651%0.0136%0.358CS..THydrogen-bonded Turntrans80.21.7176.600000116L562G556-L562 VanDerWaalsContact CA-CD2 3.47Å
557L90.5Very high79.2Confident9 Ų966.7 Ų66.75%0.04737%0.368CS..SBendtrans-78.6-21.5175.8-62.1178.3000113.7L112 Y120 L123 G554 P555L112-L557 HydrophobicContact CD1-CD2 4.25Å; Y120-L557 HydrophobicContact CD2-CD2 4.21Å; Y120-L557 HydrophobicContact CE2-CB 4.39Å; Y120-L557 HydrophobicContact CE2-CD2 4.08Å; Y120-L557 WeakPolarHBondContact CE2-O 3.4Å; Y120-L557 PolarHBondContact OH-O 3.03Å; L123-L557 HydrophobicContact CB-CD1 4.45Å; L123-L557 HydrophobicContact CB-CD2 3.79Å; L123-L557 HydrophobicContact CD1-CD2 4.38Å; L123-L557 WeakPolarHBondContact O-CD1 3.27Å; G554-L557 WeakPolarHBondContact O-CG 3.43Å; G554-L557 PolarHBondContact O-N 3.29Å; P555-L557 VanDerWaalsContact C-N 3.31Å; P555-L557 PolarHBondContact O-N 3.46Å
558L92.5Very high76.6Confident0 Ų068.4 Ų68.40%038%0.382CS..SBendtrans-103.9140.4174-60.9167000109.7G434 M435 P438 R550 L553 W560 D561G434-L558 WeakPolarHBondContact O-CD2 3.29Å; M435-L558 WeakPolarHBondContact O-CA 3.32Å; P438-L558 HydrophobicContact CB-CD1 4Å; P438-L558 HydrophobicContact CB-CD2 4.35Å; R550-L558 HydrophobicContact CG-CD1 4.32Å; L553-L558 HydrophobicContact CD1-CD1 3.87Å; L553-L558 HydrophobicContact CD1-CD2 4.39Å; L553-L558 HydrophobicContact CD1-CG 4.27Å; L558-W560 VanDerWaalsContact C-N 3.33Å; L558-W560 HydrophobicContact CB-CD2 4.46Å; L558-W560 HydrophobicContact CB-CZ2 4.17Å; L558-W560 HydrophobicContact CD1-CZ2 3.82Å; L558-W560 HydrophobicContact CD2-CZ2 4.25Å; L558-W560 HydrophobicContact CG-CZ2 4.31Å; L558-W560 PolarHBondContact O-N 3.14Å; L558-D561 PolarHBondContact O-N 3.34Å
559W87.5Confident74.1Confident94 Ų9472.2 Ų72.236%0.35641%0.405SS..Hα-helixtrans-52.7-46.3-174.2169.973.1000113.7L103 L104 I108 M435 L436 D561 L562L103-W559 PolarHBondContact O-NE1 2.89Å; L104-W559 HydrophobicContact CD2-CD2 4.09Å; L104-W559 HydrophobicContact CD2-CG 4.35Å; L104-W559 HydrophobicContact CD2-CZ2 4.14Å; I108-W559 HydrophobicContact CD1-CB 4.14Å; M435-W559 PolarHBondContact O-N 2.84Å; M435-W559 VanDerWaalsContact O-N 3.07Å; L436-W559 HydrophobicContact CD2-CB 3.91Å; L436-W559 HydrophobicContact CD2-CG 4.44Å; W559-D561 VanDerWaalsContact C-N 3.33Å; W559-D561 PolarHBondContact O-N 3.1Å; W559-L562 PolarHBondContact O-N 2.93Å
560W84Confident71.3Confident67 Ų6767.6 Ų67.625%0.25440%0.396SS..Hα-helixtrans-74.6-16.6-177.655.968.8000114.4L436 P438 R550 L558 L562 A563 R564L436-W560 WeakPolarHBondContact O-CH2 3.39Å; L436-W560 WeakPolarHBondContact O-CZ3 3.36Å; P438-W560 HydrophobicContact CG-CZ2 4.3Å; R550-W560 VanDerWaalsContact NH2-NE1 3.11Å; L558-W560 VanDerWaalsContact C-N 3.33Å; L558-W560 HydrophobicContact CB-CD2 4.46Å; L558-W560 HydrophobicContact CB-CZ2 4.17Å; L558-W560 HydrophobicContact CD1-CZ2 3.82Å; L558-W560 HydrophobicContact CD2-CZ2 4.25Å; L558-W560 HydrophobicContact CG-CZ2 4.31Å; L558-W560 PolarHBondContact O-N 3.14Å; W560-L562 VanDerWaalsContact C-N 3.34Å; W560-A563 PolarHBondContact O-N 3.48Å; W560-R564 PolarHBondContact O-N 3.08Å
561D81.9Confident68.6Low30 Ų3067.8 Ų67.816%0.1641%0.412CS..Hα-helixtrans-72.8-33.6177.8-70.4-24.7000110.4R550 L558 W559 R564 Q565R550-D561 IonicContact CZ-OD1 3.69Å; R550-D561 IonicContact NH2-OD1 3.03Å; R550-D561 PolarHBondContact NH2-OD1 2.99Å; L558-D561 PolarHBondContact O-N 3.34Å; W559-D561 VanDerWaalsContact C-N 3.33Å; W559-D561 PolarHBondContact O-N 3.1Å; D561-R564 PolarHBondContact O-N 3.12Å; D561-Q565 PolarHBondContact O-N 2.72Å
562L71.2Confident66.1Low5 Ų571.5 Ų71.53%0.02641%0.414CS..Hα-helixtrans-69.4-35.3172.4-64.1174.3000112.6I108 R111 G556 W559 W560 R564 Q565 T566I108-L562 HydrophobicContact CB-CD1 4.01Å; I108-L562 HydrophobicContact CG1-CD1 3.5Å; R111-L562 HydrophobicContact CB-CD2 4.41Å; R111-L562 PolarHBondContact NH1-O 3.14Å; G556-L562 VanDerWaalsContact CA-CD2 3.47Å; W559-L562 PolarHBondContact O-N 2.93Å; W560-L562 VanDerWaalsContact C-N 3.34Å; L562-R564 VanDerWaalsContact C-N 3.28Å; L562-R564 PolarHBondContact O-N 2.81Å; L562-Q565 PolarHBondContact O-N 3.25Å; L562-T566 PolarHBondContact O-N 3.26Å; L562-T566 VanDerWaalsContact O-N 3.09Å; L562-T566 PolarHBondContact O-OG1 2.93Å
563A61.1Low63.6Low52 Ų5275.3 Ų75.343%0.4342%0.422SS..Hα-helixtrans-57.7-44.617500000110.8W560 T566 A567W560-A563 PolarHBondContact O-N 3.48Å; A563-T566 PolarHBondContact O-N 2.8Å; A563-T566 PolarHBondContact O-OG1 3.4Å; A563-A567 PolarHBondContact O-N 3.01Å; A563-A567 VanDerWaalsContact O-N 3.13Å
564R59.1Low60.9Low165 Ų16579.5 Ų79.562%0.62344%0.444SS*.Hα-helixtrans-63.8-41.4177.2-65.4178.7-174.4-149.1-2.4113.2W560 D561 L562 T566 A567 S568W560-R564 PolarHBondContact O-N 3.08Å; D561-R564 PolarHBondContact O-N 3.12Å; L562-R564 VanDerWaalsContact C-N 3.28Å; L562-R564 PolarHBondContact O-N 2.81Å; R564-T566 VanDerWaalsContact C-N 3.31Å; R564-T566 PolarHBondContact O-N 3.19Å; R564-A567 PolarHBondContact O-N 3.11Å; R564-A567 VanDerWaalsContact O-N 3.16Å; R564-S568 PolarHBondContact O-N 3.45Å
565Q56.5Low58.6Low93 Ų9384.1 Ų84.144%0.43547%0.466SS..Hα-helixtrans-62.4-37175.5-72.9-179.7-17.300112.4D561 L562 A567 V569D561-Q565 PolarHBondContact O-N 2.72Å; L562-Q565 PolarHBondContact O-N 3.25Å; Q565-A567 VanDerWaalsContact C-N 3.34Å; Q565-V569 WeakPolarHBondContact O-CG2 3.37Å; Q565-V569 PolarHBondContact O-N 3.48Å
566T53Low56.2Low66 Ų6684.2 Ų84.241%0.40547%0.465SS..Hα-helixtrans-64.8-40.6173.6-21.90000111.6R111 L562 A563 R564 S568 V569 A570R111-T566 PolarHBondContact NH1-OG1 3.43Å; R111-T566 PolarHBondContact NH2-OG1 3.27Å; R111-T566 VanDerWaalsContact NH2-OG1 3.16Å; L562-T566 PolarHBondContact O-N 3.26Å; L562-T566 VanDerWaalsContact O-N 3.09Å; L562-T566 PolarHBondContact O-OG1 2.93Å; A563-T566 PolarHBondContact O-N 2.8Å; A563-T566 PolarHBondContact O-OG1 3.4Å; R564-T566 VanDerWaalsContact C-N 3.31Å; R564-T566 PolarHBondContact O-N 3.19Å; T566-S568 PolarHBondContact O-N 3.16Å; T566-V569 PolarHBondContact O-N 2.91Å; T566-A570 PolarHBondContact O-N 3.29Å; T566-A570 VanDerWaalsContact O-N 3.12Å
567A46Very low54Low77 Ų7788 Ų8864%0.63649%0.488SS*.Hα-helixtrans-69.9-28.1-178.600000113.6A563 R564 Q565A563-A567 PolarHBondContact O-N 3.01Å; A563-A567 VanDerWaalsContact O-N 3.13Å; R564-A567 PolarHBondContact O-N 3.11Å; R564-A567 VanDerWaalsContact O-N 3.16Å; Q565-A567 VanDerWaalsContact C-N 3.34Å
568S38.4Very low51.3Low100 Ų10094.1 Ų94.170%0.69952%0.52SS*.THydrogen-bonded Turntrans-88-3.2177.194.10000114.5R564 T566R564-S568 PolarHBondContact O-N 3.45Å; T566-S568 PolarHBondContact O-N 3.16Å
569V39.6Very low48.8Very low115 Ų115102.3 Ų102.370%0.69756%0.558SS**THydrogen-bonded Turntrans-118.2-9.5-179.6-179.30000111.9Q565 T566Q565-V569 WeakPolarHBondContact O-CG2 3.37Å; Q565-V569 PolarHBondContact O-N 3.48Å; T566-V569 PolarHBondContact O-N 2.91Å
570A31.5Very low46.5Very low63 Ų63104.4 Ų104.452%0.52158%0.576SS.*SBendtrans-59.6130.4164.100000109.3T566 K572T566-A570 PolarHBondContact O-N 3.29Å; T566-A570 VanDerWaalsContact O-N 3.12Å; A570-K572 PolarHBondContact O-N 2.88Å
571P29.9Very low44.4Very low116 Ų116105.6 Ų105.675%0.75360%0.595SS**  trans-57.7132.8172.8-20.331.5000109.2E573P571-E573 PolarHBondContact O-N 2.78Å; P571-E573 VanDerWaalsContact O-N 3.1Å
572K34.1Very low42.3Very low192 Ų192111.3 Ų111.384%0.83563%0.625SS**  trans-64.3107.7151.1-76.7-177.9172.9-1760105.4A570 D574A570-K572 PolarHBondContact O-N 2.88Å; K572-D574 PolarHBondContact O-N 3.49Å
573E35.6Very low41.2Very low165 Ų165116.8 Ų116.877%0.77166%0.658SS**  trans-61.6121160.4-78.1-179.1135.300107P571 T575P571-E573 PolarHBondContact O-N 2.78Å; P571-E573 VanDerWaalsContact O-N 3.1Å; E573-T575 PolarHBondContact O-N 3.12Å; E573-T575 PolarHBondContact O-OG1 3.24Å; E573-T575 VanDerWaalsContact O-OG1 3.12Å
574D33.1Very low40.2Very low118 Ų118123.6 Ų123.663%0.63168%0.678SS**  trans-64.984.3178.6-73.4-45.7000109.6K572 T576K572-D574 PolarHBondContact O-N 3.49Å; D574-T576 PolarHBondContact O-N 3.42Å
575T35.7Very low39.1Very low131 Ų131119.3 Ų119.380%0.80469%0.685SS**THydrogen-bonded Turntrans-75.330.2174.621.20000111.6E573E573-T575 PolarHBondContact O-N 3.12Å; E573-T575 PolarHBondContact O-OG1 3.24Å; E573-T575 VanDerWaalsContact O-OG1 3.12Å
576T35.3Very low38.1Very low109 Ų109121 Ų12167%0.66970%0.704SS**THydrogen-bonded Turntrans-13714.3-174.649.80000113.5D574D574-T576 PolarHBondContact O-N 3.42Å
577T37.1Very low37.6Very low80 Ų80126.8 Ų126.849%0.49173%0.727SS.*SBendtrans-130.2-9.1175.752.20000115.1S581T577-S581 PolarHBondContact O-OG 3.49Å
578L33.8Very low37.3Very low139 Ų139130.7 Ų130.773%0.72874%0.737SS**SBendtrans-87.3-22179.7-130.679.5000114.8
579E39.7Very low37.4Very low172 Ų172133.4 Ų133.480%0.80474%0.742SS**SBendtrans-85.1-36.3178.4-68.2-170.913700112.9S581 L582E579-S581 PolarHBondContact O-N 3.22Å; E579-L582 PolarHBondContact O-N 3.36Å
580D40Very low37.4Very low137 Ų137133.9 Ų133.973%0.73375%0.748SS**G310 helixtrans-70.4-19.6175.6-91.8-28.2000113.5L582D580-L582 VanDerWaalsContact C-N 3.29Å; D580-L582 PolarHBondContact O-N 2.76Å
581S39Very low37.7Very low93 Ų93135.2 Ų135.265%0.6576%0.758SS**G310 helixtrans-78.8-7.7-178.6-63.80000114T577 E579T577-S581 PolarHBondContact O-OG 3.49Å; E579-S581 PolarHBondContact O-N 3.22Å
582L38.9Very low38.1Very low149 Ų149134 Ų13478%0.7876%0.758SS**G310 helixtrans-103.14.5-175.5-80.5162.8000114.3E579 D580E579-L582 PolarHBondContact O-N 3.36Å; D580-L582 VanDerWaalsContact C-N 3.29Å; D580-L582 PolarHBondContact O-N 2.76Å
583V47.3Very low38.2Very low120 Ų120131 Ų13173%0.72776%0.756SS**SBendtrans-114.8-2.2-169.4-176.70000113.9
584K40.8Very low38.3Very low196 Ų196132.7 Ų132.785%0.85276%0.761SS**  trans-127.2121.1179.2-70-175.8179.4174.70113.1
585G35.4Very low38.4Very low75 Ų75136.6 Ų136.677%0.77377%0.772SS**  trans-75.5177.717900000114.6
586P36Very low38.3Very low127 Ų127136.3 Ų136.383%0.82577%0.773SS**  trans-113.7137.9-149.837.4-28.1000115.2
587E41.6Very low38.6Very low188 Ų188137.2 Ų137.288%0.87978%0.78SS**  trans-140.3141.6158.1-68.5-169.513300111.6
588D40.2Very low38.4Very low159 Ų159137.4 Ų137.485%0.8580%0.798SS**  trans77.5127.6162.1-61.1-19.1000125.6
589I41.2Very low38.5Very low157 Ų157140.4 Ų140.481%0.80581%0.806SS**  trans-151.8125.2-165.5-59.6170.2000108.7
590P39.4Very low38.1Very low126 Ų126143.7 Ų143.782%0.81881%0.811SS**  -147.6174.181.129.8-6.3000114.7
591A37.5Very low38Very low90 Ų90141.9 Ų141.974%0.74481%0.807SS**  cis97.598.613.500000118.3
592A38.3Very low37.8Very low91 Ų91146.8 Ų146.875%0.75282%0.819SS**  trans-173.295.1151.400000112.3
593T37.4Very low37.5Very low129 Ų129144.2 Ų144.279%0.79182%0.819SS**  59.1112.998.858.80000120.1
594K37.1Very low37Very low200 Ų200146.9 Ų146.987%0.8782%0.824SS**  175.4123.6111.7-94.6165.8-1761730116.1
595K35.1Very low36.8Very low201 Ų201143.1 Ų143.187%0.87482%0.818SS**  trans35.1131.5148.5-80.3-176.3170.3-178.30123.2
596P33.5Very low36.7Very low125 Ų125148.2 Ų148.281%0.81282%0.821SS**  trans-106158.2157.738.9-31000113.9
597P40.5Very low36.8Very low127 Ų127147.2 Ų147.283%0.82581%0.814SS**  trans-136.2142.7157.237-22.3000115.8
598G33.6Very low36.5Very low84 Ų84144.7 Ų144.787%0.86681%0.806SS**  trans44.9110.9146.500000121.6
599F36.7Very low36.5Very low203 Ų203148.5 Ų148.589%0.8981%0.81SS**  trans-95.5129.1169.2-151.5-93000112P601F599-P601 HydrophobicContact CE1-CB 4.39Å
600R31.5Very low36.2Very low240 Ų240148.7 Ų148.791%0.90681%0.812SS**  trans-137.2133.3167.6-149.1-177.3-162.5-1735.3107.1
601P36.5Very low36.4Very low100 Ų100146.2 Ų146.265%0.64981%0.809SS**  trans-102.2146.4-162.537-33.6000114.4F599F599-P601 HydrophobicContact CE1-CB 4.39Å
602E34.4Very low36.5Very low196 Ų196150.6 Ų150.692%0.91681%0.814SS**  trans-163142.6154.1-118.1160.7-146.300112.9
603A33.5Very low36.5Very low94 Ų94153 Ų15378%0.77781%0.814SS**  trans39.8161.715500000125.8
604E36.4Very low36.9Very low176 Ų176153.8 Ų153.882%0.82282%0.818SS**  trans91.893.8163-60-165.4164.500117.7
605T36Very low37.1Very low118 Ų118152 Ų15272%0.72481%0.813SS**  85.6111.979.852.10000115.8
606H34Very low37.5Very low182 Ų182147.7 Ų147.784%0.84380%0.803SS**  trans47156.3138.1-79.4-55.7000121.3
607P39.1Very low38.1Very low105 Ų105148.4 Ų148.468%0.68280%0.801SS**  cis-155.2-164.543.243.8-20.3000118.2
608L34.8Very low38.7Very low135 Ų135154.2 Ų154.271%0.70782%0.823SS**  trans72.6104.8156.6-70.5166.1000120.5L610L608-L610 HydrophobicContact CD2-CD1 4.44Å
609Y39.1Very low38.9Very low240 Ų240157.7 Ų157.794%0.94182%0.821SS**  -145.6128.9122.6-108-81.7000109.1
610L35.5Very low39Very low161 Ų161155.3 Ų155.384%0.84382%0.817SS**  trans-96.1144.6-179.9-96.3153.7000110.4L608L608-L610 HydrophobicContact CD2-CD1 4.44Å
611G43Very low39.5Very low73 Ų73150.6 Ų150.675%0.75381%0.813SS**  trans-170.369.8-176.500000115.2
612H41.2Very low39.6Very low183 Ų183153.6 Ų153.685%0.84782%0.822SS**  trans51.6126156.7-111-72.2000121.8
613D37.7Very low40Very low141 Ų141150.9 Ų150.975%0.75482%0.816SS**  trans-65.1154.8165.1-41.9-87.5000113
614V46.2Very low40.4Very low145 Ų145154.7 Ų154.788%0.87982%0.819SS**  -161149.9124.61510000108.6
615E40.2Very low40.7Very low163 Ų163153.2 Ų153.276%0.76282%0.819SS**  trans-85.4174.4-163.9-56.9163.797.600116.8
616T43.8Very low41Very low110 Ų110155.9 Ų155.968%0.67583%0.826SS**  trans83.8124.2141.840.70000123.3
617N47.4Very low41.6Very low141 Ų141153.8 Ų153.875%0.75483%0.825SS**  trans72.888.7137.8-57.1-19.6000120.7
618L51.4Low41.8Very low248 Ų248158.2 Ų158.2100%1.29884%0.837SS**  -172.80101.7-108.2156000112.6

Retrieved 618 of 618 residues in 1269 ms (Link to these results)

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