A0A087Y4Z3_POEFO Loading...

ADP-ribosylhydrolase ARH3

AlphaFold DB , UniProt , Accession A0A087Y4Z3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M31.8Very low32.4Very low251 Ų251143 Ų143100%1.23684%0.84SS**  0127.30-59-169.1-144.900107.1
2A30.4Very low33.7Very low96 Ų96137.5 Ų137.579%0.79381%0.809SS**  cis-137.6139.1-19.500000104.5M4A2-M4 PolarHBondContact O-N 3.39Å; A2-M4 VanDerWaalsContact O-N 3.07Å
3K25Very low34.8Very low210 Ų210133.7 Ų133.791%0.91380%0.802SS**  trans-62.4106.8175.8-71.9171.4172.11780107.8A5K3-A5 PolarHBondContact O-N 3.26Å; K3-A5 VanDerWaalsContact O-N 3.1Å
4M30.5Very low36.4Very low183 Ų183126.9 Ų126.990%0.90177%0.774SS**  trans-65.5109.2159.8-91.5-176.781.700106.1A2 V6A2-M4 PolarHBondContact O-N 3.39Å; A2-M4 VanDerWaalsContact O-N 3.07Å; M4-V6 PolarHBondContact O-N 3.34Å
5A31.3Very low39.2Very low90 Ų90125.3 Ų125.374%0.74476%0.764SS**  trans-61.4102.2172.300000107.7K3 R7K3-A5 PolarHBondContact O-N 3.26Å; K3-A5 VanDerWaalsContact O-N 3.1Å; A5-R7 PolarHBondContact O-N 3.18Å
6V31.9Very low42.4Very low131 Ų131122.4 Ų122.479%0.79475%0.749SS**  trans-51.8108.7152.6176.50000104.9M4 A8M4-V6 PolarHBondContact O-N 3.34Å; V6-A8 PolarHBondContact O-N 3.11Å
7R34.3Very low45.3Very low238 Ų238115.5 Ų115.590%0.89871%0.707SS**  trans-63.288.4166.7-96.4-178.3169.4-179-4.5105.6A5 A9A5-R7 PolarHBondContact O-N 3.18Å; R7-A9 PolarHBondContact O-N 3.33Å
8A30.7Very low48.2Very low75 Ų75110.3 Ų110.362%0.6268%0.676SS**  trans-53.5128169.500000107.5V6 A10V6-A8 PolarHBondContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 3.09Å
9A37.2Very low50.8Low115 Ų115108.1 Ų108.195%0.9566%0.658SS**  trans-56.888.5165.200000108.5R7R7-A9 PolarHBondContact O-N 3.33Å
10A32Very low53.1Low79 Ų79104 Ų10465%0.65363%0.634SS**  trans-111.2104.7177.100000107.8A8A8-A10 PolarHBondContact O-N 3.09Å
11S40.9Very low55.3Low105 Ų10599.3 Ų99.373%0.73461%0.605SS**  trans48.483.7162.168.90000118A13S11-A13 PolarHBondContact O-N 3.18Å
12V48.6Very low58.5Low77 Ų7787.4 Ų87.447%0.46755%0.546SS..  trans-76.630.4161.4-163.70000111.4G14 R21 Y325V12-G14 VanDerWaalsContact C-N 3.27Å; V12-G14 PolarHBondContact O-N 3.33Å; V12-R21 PolarHBondContact O-NH2 3.12Å; V12-Y325 HydrophobicContact CG1-CD1 3.94Å
13A47.8Very low61.7Low88 Ų8886.9 Ų86.973%0.72752%0.524SS*.  trans-96.453.7171.700000109.1S11S11-A13 PolarHBondContact O-N 3.18Å
14G57.1Low65.2Low39 Ų3976.9 Ų76.940%0.40248%0.48SS..PPolyproline II helixtrans-60.5148.4164.300000109.4V12 R21V12-G14 VanDerWaalsContact C-N 3.27Å; V12-G14 PolarHBondContact O-N 3.33Å; G14-R21 PolarHBondContact O-NE 3.48Å; G14-R21 PolarHBondContact O-NH2 3.44Å
15T79.1Confident68.5Low102 Ų10268.1 Ų68.163%0.62644%0.437SS*.PPolyproline II helixtrans-50.4137.8-178.442.40000111.3A17 S18 R21T15-A17 PolarHBondContact O-N 3.48Å; T15-S18 WeakPolarHBondContact O-CB 3.46Å; T15-S18 PolarHBondContact O-N 2.99Å; T15-S18 PolarHBondContact O-OG 3.36Å; T15-S18 WeakPolarHBondContact OG1-CB 3.33Å; T15-R21 PolarHBondContact O-NE 3.2Å
16P89.1Confident71.7Confident80 Ų8064 Ų6452%0.51940%0.403SS..THydrogen-bonded Turntrans-48.8140.1172.8-29.336.3000111.2S18P16-S18 PolarHBondContact O-N 3.34Å; P16-S18 VanDerWaalsContact O-N 3.11Å
17A92.2Very high74.9Confident5 Ų557.8 Ų57.84%0.04137%0.365CS..THydrogen-bonded Turntrans52.930.9178.200000115T15 F22 L196 H352 Y355T15-A17 PolarHBondContact O-N 3.48Å; A17-F22 HydrophobicContact CB-CE2 4Å; A17-F22 WeakPolarHBondContact O-CE2 3.46Å; A17-L196 PolarHBondContact N-O 3.4Å; A17-H352 PolarHBondContact O-CD2 2.74Å; A17-H352 PolarHBondContact O-NE2 3.24Å; A17-Y355 HydrophobicContact CB-CE1 3.76Å
18S96.9Very high78Confident22 Ų2246.4 Ų46.415%0.15432%0.322CS..  trans-69.3155.3176.769.80000113.3T15 P16 S20 R21 F22T15-S18 WeakPolarHBondContact O-CB 3.46Å; T15-S18 PolarHBondContact O-N 2.99Å; T15-S18 PolarHBondContact O-OG 3.36Å; T15-S18 WeakPolarHBondContact OG1-CB 3.33Å; P16-S18 PolarHBondContact O-N 3.34Å; P16-S18 VanDerWaalsContact O-N 3.11Å; S18-S20 PolarHBondContact O-N 3.08Å; S18-S20 VanDerWaalsContact O-N 3.12Å; S18-R21 WeakPolarHBondContact O-CB 3.48Å; S18-R21 PolarHBondContact O-N 3.27Å; S18-R21 PolarHBondContact OG-N 3.28Å; S18-F22 VanDerWaalsContact O-CD2 3.31Å; S18-F22 WeakPolarHBondContact O-CD2 3.34Å; S18-F22 PolarHBondContact O-N 3.49Å; S18-F22 VanDerWaalsContact O-N 3.15Å
19M97.9Very high81.2Confident68 Ų6843.1 Ų43.134%0.33530%0.295SS..Hα-helixtrans-48.3-39.7172.3-176.963.178.600113.4F22 R23 A349 H352M19-F22 PolarHBondContact O-N 2.85Å; M19-R23 WeakPolarHBondContact O-CG 3.28Å; M19-R23 PolarHBondContact O-N 3.02Å; M19-R23 HydrophobicContact SD-CG 4.4Å; M19-A349 HydrophobicContact CE-CB 4.03Å; M19-A349 WeakPolarHBondContact SD-CA 3.39Å; M19-A349 HydrophobicContact SD-CB 3.74Å; M19-H352 VanDerWaalsContact CA-CD2 3.48Å; M19-H352 WeakPolarHBondContact CA-CD2 3.23Å; M19-H352 HydrophobicContact CE-CB 3.74Å; M19-H352 VanDerWaalsContact CE-ND1 3.33Å; M19-H352 WeakPolarHBondContact CE-ND1 3.47Å; M19-H352 PolarHBondContact N-CD2 3.3Å; M19-H352 VanDerWaalsContact N-CD2 3.3Å; M19-H352 PolarHBondContact N-NE2 3.45Å; M19-H352 VanDerWaalsContact N-NE2 3.18Å; M19-H352 HydrophobicContact SD-CB 3.77Å
20S98.3Very high84.1Confident25 Ų2537.9 Ų37.918%0.17525%0.251CS..Hα-helixtrans-60.8-44.6176.9150.90000111.7S18 F22 R23 G24 G326 I327 E328S18-S20 PolarHBondContact O-N 3.08Å; S18-S20 VanDerWaalsContact O-N 3.12Å; S20-F22 VanDerWaalsContact C-N 3.35Å; S20-F22 PolarHBondContact O-N 3.08Å; S20-R23 PolarHBondContact O-N 3.33Å; S20-G24 PolarHBondContact O-N 3.06Å; S20-G326 WeakPolarHBondContact O-CA 3.33Å; S20-G326 VanDerWaalsContact OG-CA 3.24Å; S20-G326 WeakPolarHBondContact OG-CA 3.34Å; S20-I327 PolarHBondContact O-N 3.15Å; S20-I327 PolarHBondContact OG-N 2.93Å; S20-E328 WeakPolarHBondContact CB-OE1 3.47Å; S20-E328 WeakPolarHBondContact CB-OE2 3.25Å; S20-E328 PolarHBondContact OG-OE1 3.13Å; S20-E328 PolarHBondContact OG-OE2 3.33Å
21R98.4Very high87.3Confident7 Ų734.1 Ų34.13%0.02622%0.22CC..Hα-helixtrans-64.6-37.7177.6-65.6-179.5179.7-76.9-5.6112.1V12 G14 T15 S18 A25 L196 A323 H324V12-R21 PolarHBondContact O-NH2 3.12Å; G14-R21 PolarHBondContact O-NE 3.48Å; G14-R21 PolarHBondContact O-NH2 3.44Å; T15-R21 PolarHBondContact O-NE 3.2Å; S18-R21 WeakPolarHBondContact O-CB 3.48Å; S18-R21 PolarHBondContact O-N 3.27Å; S18-R21 PolarHBondContact OG-N 3.28Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 2.89Å; R21-L196 VanDerWaalsContact CD-O 3.26Å; R21-L196 WeakPolarHBondContact CD-O 3.49Å; R21-A323 WeakPolarHBondContact CB-O 3.5Å; R21-A323 WeakPolarHBondContact CD-O 3.43Å; R21-A323 WeakPolarHBondContact CG-O 3.43Å; R21-A323 PolarHBondContact NH1-O 2.72Å; R21-H324 VanDerWaalsContact NH1-C 3.33Å; R21-H324 VanDerWaalsContact NH1-CA 3.34Å; R21-H324 PolarHBondContact NH1-O 2.81Å
22F98.6Very high90.1Very high0 Ų029.1 Ų29.10%019%0.185CC..Hα-helixtrans-64-49.7176.5-84.1-120000111.8A17 S18 M19 S20 A25 L26 L156 L196 A348 L351 H352 Y355A17-F22 HydrophobicContact CB-CE2 4Å; A17-F22 WeakPolarHBondContact O-CE2 3.46Å; S18-F22 VanDerWaalsContact O-CD2 3.31Å; S18-F22 WeakPolarHBondContact O-CD2 3.34Å; S18-F22 PolarHBondContact O-N 3.49Å; S18-F22 VanDerWaalsContact O-N 3.15Å; M19-F22 PolarHBondContact O-N 2.85Å; S20-F22 VanDerWaalsContact C-N 3.35Å; S20-F22 PolarHBondContact O-N 3.08Å; F22-A25 PolarHBondContact O-N 2.86Å; F22-L26 PolarHBondContact O-N 3.02Å; F22-L156 HydrophobicContact CD1-CB 4.09Å; F22-L156 HydrophobicContact CD1-CD2 3.99Å; F22-L156 HydrophobicContact CD1-CG 4.48Å; F22-L156 HydrophobicContact CD2-CD2 4.44Å; F22-L156 HydrophobicContact CE1-CB 3.96Å; F22-L156 HydrophobicContact CE1-CD2 4.23Å; F22-L156 WeakPolarHBondContact CE1-O 3.47Å; F22-L156 HydrophobicContact CG-CD2 4.11Å; F22-L196 HydrophobicContact CD2-CD2 3.64Å; F22-L196 HydrophobicContact CE2-CD2 3.28Å; F22-L196 HydrophobicContact CG-CD2 4.46Å; F22-L196 HydrophobicContact CZ-CD2 3.82Å; F22-A348 HydrophobicContact CB-CB 4.4Å; F22-L351 HydrophobicContact CD1-CB 4.32Å; F22-H352 HydrophobicContact CB-CB 4.35Å; F22-H352 VanDerWaalsContact CD1-CA 3.49Å; F22-H352 HydrophobicContact CD1-CB 3.6Å; F22-H352 HydrophobicContact CD2-CB 4.49Å; F22-H352 AromaticContact CD2-CD2 3.82Å; F22-H352 HydrophobicContact CE1-CB 3.91Å; F22-H352 AromaticContact CE2-CD2 3.93Å; F22-H352 HydrophobicContact CG-CB 3.92Å; F22-H352 HydrophobicContact CZ-CB 4.49Å; F22-Y355 HydrophobicContact CE1-CD2 4.38Å; F22-Y355 HydrophobicContact CE1-CG 4.2Å; F22-Y355 AromaticContact CZ-CD1 3.99Å; F22-Y355 HydrophobicContact CZ-CD1 3.99Å; F22-Y355 AromaticContact CZ-CD2 3.77Å; F22-Y355 HydrophobicContact CZ-CD2 3.77Å; F22-Y355 HydrophobicContact CZ-CE2 4.29Å; F22-Y355 AromaticContact CZ-CG 3.59Å; F22-Y355 HydrophobicContact CZ-CG 3.59Å
23R98.7Very high92.5Very high85 Ų8525.5 Ų25.532%0.32116%0.163SC..Hα-helixtrans-61.5-46.9177.4-68.317378.3-172.62.1110.2M19 S20 A25 V27 I327 D345 A348M19-R23 WeakPolarHBondContact O-CG 3.28Å; M19-R23 PolarHBondContact O-N 3.02Å; M19-R23 HydrophobicContact SD-CG 4.4Å; S20-R23 PolarHBondContact O-N 3.33Å; R23-A25 PolarHBondContact O-N 3.09Å; R23-V27 VanDerWaalsContact O-CB 3.26Å; R23-V27 WeakPolarHBondContact O-CB 3.37Å; R23-V27 WeakPolarHBondContact O-CG2 3.47Å; R23-V27 PolarHBondContact O-N 3.1Å; R23-I327 HydrophobicContact CB-CB 3.8Å; R23-I327 HydrophobicContact CB-CD1 4.12Å; R23-I327 HydrophobicContact CB-CG1 4Å; R23-I327 HydrophobicContact CB-CG2 4.35Å; R23-D345 IonicContact CZ-OD1 3.33Å; R23-D345 IonicContact CZ-OD2 3.77Å; R23-D345 IonicContact NE-OD1 2.97Å; R23-D345 PolarHBondContact NE-OD1 3.24Å; R23-D345 IonicContact NE-OD2 3.3Å; R23-D345 IonicContact NH2-OD1 2.76Å; R23-D345 PolarHBondContact NH2-OD1 3.24Å; R23-D345 IonicContact NH2-OD2 2.78Å; R23-D345 PolarHBondContact NH2-OD2 2.94Å; R23-A348 HydrophobicContact CB-CB 4.31Å; R23-A348 HydrophobicContact CG-CB 3.94Å
24G98.6Very high94.9Very high0 Ų021.4 Ų21.40%013%0.129CC..Hα-helixtrans-54.4-48.9174.900000112.3S20 A28 G322S20-G24 PolarHBondContact O-N 3.06Å; G24-A28 WeakPolarHBondContact O-CB 3.08Å; G24-A28 PolarHBondContact O-N 3.17Å; G24-G322 VanDerWaalsContact C-C 3.47Å; G24-G322 VanDerWaalsContact C-CA 3.47Å; G24-G322 WeakPolarHBondContact O-CA 3.21Å
25A98.8Very high96.8Very high0 Ų019.5 Ų19.50%011%0.11CC..Hα-helixtrans-59.8-52.1-178.100000113.1R21 F22 R23 A29 L156 A319 A323R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 2.89Å; F22-A25 PolarHBondContact O-N 2.86Å; R23-A25 PolarHBondContact O-N 3.09Å; A25-A29 WeakPolarHBondContact O-CB 3.46Å; A25-A29 PolarHBondContact O-N 3.32Å; A25-A29 VanDerWaalsContact O-N 3.15Å; A25-L156 HydrophobicContact CB-CD1 4.4Å; A25-L156 HydrophobicContact CB-CD2 4.19Å; A25-A319 WeakPolarHBondContact O-CA 3.39Å; A25-A323 HydrophobicContact CB-CB 3.94Å
26L98.7Very high97.7Very high3 Ų314.7 Ų14.72%0.0168%0.08CC..Hα-helixtrans-72.7-41.2-177.9-67.8-175.9000112.8F22 A29 V30 V80 P153 L156 A344 A348 L351F22-L26 PolarHBondContact O-N 3.02Å; L26-A29 WeakPolarHBondContact O-CB 3.2Å; L26-A29 PolarHBondContact O-N 3.17Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.14Å; L26-V80 HydrophobicContact CD1-CG2 4.32Å; L26-P153 HydrophobicContact CD2-CG 4.21Å; L26-L156 HydrophobicContact CD1-CD1 3.89Å; L26-L156 HydrophobicContact CD2-CD1 3.46Å; L26-L156 VanDerWaalsContact CD2-CD1 3.46Å; L26-L156 HydrophobicContact CG-CD1 3.4Å; L26-L156 VanDerWaalsContact CG-CD1 3.4Å; L26-A344 HydrophobicContact CB-CB 4.1Å; L26-A348 HydrophobicContact CB-CB 4.34Å; L26-A348 HydrophobicContact CD1-CB 3.81Å; L26-A348 HydrophobicContact CG-CB 4.31Å; L26-L351 HydrophobicContact CD1-CD1 3.69Å
27V98.8Very high98.1Very high0 Ų012.2 Ų12.20%07%0.069CC..Hα-helixtrans-65.7-46.6-179.7175.10000109.7R23 A29 V30 L31 I327 V330 M335 A344 D345R23-V27 VanDerWaalsContact O-CB 3.26Å; R23-V27 WeakPolarHBondContact O-CB 3.37Å; R23-V27 WeakPolarHBondContact O-CG2 3.47Å; R23-V27 PolarHBondContact O-N 3.1Å; V27-A29 VanDerWaalsContact C-N 3.26Å; V27-A29 PolarHBondContact O-N 3.49Å; V27-V30 PolarHBondContact O-N 3.4Å; V27-V30 VanDerWaalsContact O-N 3.13Å; V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 WeakPolarHBondContact O-CD1 3.19Å; V27-L31 PolarHBondContact O-N 2.99Å; V27-I327 HydrophobicContact CB-CD1 4.01Å; V27-I327 HydrophobicContact CG1-CD1 4.17Å; V27-I327 HydrophobicContact CG2-CD1 3.94Å; V27-V330 HydrophobicContact CG1-CG1 3.86Å; V27-V330 HydrophobicContact CG1-CG2 4.27Å; V27-M335 HydrophobicContact CG1-CE 4.47Å; V27-M335 HydrophobicContact CG1-CG 4.08Å; V27-M335 HydrophobicContact CG1-SD 4.18Å; V27-M335 HydrophobicContact CG2-CE 4.38Å; V27-A344 HydrophobicContact CG2-CB 4.31Å; V27-D345 HydrophobicContact CG2-CB 3.73Å
28A98.8Very high98.3Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-64.2-29.8178.500000113.4G24 L31 G32 L296 G318G24-A28 WeakPolarHBondContact O-CB 3.08Å; G24-A28 PolarHBondContact O-N 3.17Å; A28-L31 PolarHBondContact O-N 3.05Å; A28-G32 PolarHBondContact O-N 2.92Å; A28-L296 HydrophobicContact CB-CD1 3.75Å; A28-L296 HydrophobicContact CB-CD2 4.09Å; A28-G318 WeakPolarHBondContact CB-O 3.25Å
29A98.9Very high98.4Very high5 Ų517.7 Ų17.74%0.0419%0.091CC..Hα-helixtrans-62.5-48.4171.200000111.3A25 L26 V27 L31 G32 D33 C315 A319A25-A29 WeakPolarHBondContact O-CB 3.46Å; A25-A29 PolarHBondContact O-N 3.32Å; A25-A29 VanDerWaalsContact O-N 3.15Å; L26-A29 WeakPolarHBondContact O-CB 3.2Å; L26-A29 PolarHBondContact O-N 3.17Å; V27-A29 VanDerWaalsContact C-N 3.26Å; V27-A29 PolarHBondContact O-N 3.49Å; A29-L31 VanDerWaalsContact C-N 3.33Å; A29-L31 PolarHBondContact O-N 2.9Å; A29-G32 PolarHBondContact O-N 2.67Å; A29-G32 VanDerWaalsContact O-N 3.16Å; A29-D33 PolarHBondContact O-N 2.86Å; A29-C315 WeakPolarHBondContact CA-O 3.34Å; A29-C315 WeakPolarHBondContact O-CA 3.4Å; A29-A319 HydrophobicContact CB-CB 3.97Å
30V98.9Very high98.3Very high5 Ų519.5 Ų19.53%0.0310%0.099CC..Hα-helixtrans-61.7-40.2176.3176.60000111.8L26 V27 G32 D33 C34 T73 C338 E339 A341 A344L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.14Å; V27-V30 PolarHBondContact O-N 3.4Å; V27-V30 VanDerWaalsContact O-N 3.13Å; V30-G32 VanDerWaalsContact C-N 3.34Å; V30-D33 PolarHBondContact O-N 3.43Å; V30-C34 WeakPolarHBondContact O-CB 3.48Å; V30-C34 PolarHBondContact O-N 3.33Å; V30-C34 PolarHBondContact O-SG 2.78Å; V30-C34 VanDerWaalsContact O-SG 3.39Å; V30-T73 HydrophobicContact CG1-CG2 4.42Å; V30-T73 HydrophobicContact CG2-CG2 3.84Å; V30-C338 HydrophobicContact CG1-CB 4.34Å; V30-E339 VanDerWaalsContact CG1-O 3.29Å; V30-E339 WeakPolarHBondContact CG1-O 3.34Å; V30-A341 HydrophobicContact CG1-CB 4.29Å; V30-A344 HydrophobicContact CG2-CB 3.74Å
31L98.6Very high98Very high0 Ų021.1 Ų21.10%012%0.12CC..Hα-helixtrans-63.4-41.9175.3-90.759.5000111.6V27 A28 A29 V35 I300 V330 W334 C338 A341V27-L31 HydrophobicContact CG1-CD1 3.77Å; V27-L31 WeakPolarHBondContact O-CD1 3.19Å; V27-L31 PolarHBondContact O-N 2.99Å; A28-L31 PolarHBondContact O-N 3.05Å; A29-L31 VanDerWaalsContact C-N 3.33Å; A29-L31 PolarHBondContact O-N 2.9Å; L31-V35 VanDerWaalsContact O-CB 3.29Å; L31-V35 WeakPolarHBondContact O-CB 3.49Å; L31-V35 WeakPolarHBondContact O-CG2 3.41Å; L31-V35 PolarHBondContact O-N 3.23Å; L31-I300 HydrophobicContact CB-CD1 4.19Å; L31-V330 HydrophobicContact CD2-CG1 3.59Å; L31-W334 HydrophobicContact CD2-CB 3.83Å; L31-W334 HydrophobicContact CD2-CE3 4.28Å; L31-W334 HydrophobicContact CG-CB 4.26Å; L31-C338 HydrophobicContact CD1-CB 4.12Å; L31-A341 HydrophobicContact CD1-CB 4.15Å
32G98.8Very high97.9Very high0 Ų022.4 Ų22.40%013%0.132CC..Hα-helixtrans-59.6-47.1176.400000112.2A28 A29 V30 G36 A314A28-G32 PolarHBondContact O-N 2.92Å; A29-G32 PolarHBondContact O-N 2.67Å; A29-G32 VanDerWaalsContact O-N 3.16Å; V30-G32 VanDerWaalsContact C-N 3.34Å; G32-G36 VanDerWaalsContact O-CA 3.32Å; G32-G36 WeakPolarHBondContact O-CA 3.33Å; G32-G36 PolarHBondContact O-N 2.69Å; G32-A314 WeakPolarHBondContact O-CB 3.26Å
33D98.9Very high97.5Very high1 Ų131.1 Ų31.11%0.00517%0.173CC..Hα-helixtrans-58.4-63.9173.7170.8-3.5000111.1A29 V30 V35 G36 G37 S70 D72 T73 C315A29-D33 PolarHBondContact O-N 2.86Å; V30-D33 PolarHBondContact O-N 3.43Å; D33-V35 VanDerWaalsContact C-N 3.34Å; D33-V35 PolarHBondContact O-N 2.76Å; D33-G36 PolarHBondContact O-N 2.62Å; D33-G36 VanDerWaalsContact O-N 3.17Å; D33-G37 PolarHBondContact O-N 3.3Å; D33-S70 VanDerWaalsContact OD1-CB 3.28Å; D33-S70 WeakPolarHBondContact OD1-CB 3.37Å; D33-S70 PolarHBondContact OD1-N 3.36Å; D33-S70 PolarHBondContact OD1-OG 3.38Å; D33-S70 VanDerWaalsContact OD1-OG 3.07Å; D33-S70 PolarHBondContact OD2-N 3.09Å; D33-S70 VanDerWaalsContact OD2-N 3.15Å; D33-D72 HydrophobicContact CB-CB 4.03Å; D33-D72 WeakPolarHBondContact OD2-CB 3.49Å; D33-T73 WeakPolarHBondContact OD2-CB 3.2Å; D33-T73 PolarHBondContact OD2-N 3.17Å; D33-T73 PolarHBondContact OD2-OG1 3.44Å; D33-C315 HydrophobicContact CB-CB 4.16Å
34C98.6Very high97.3Very high2 Ų235.2 Ų35.21%0.01420%0.195CC..Hα-helixtrans-57.9-41.7-174.2-72.10000113.9V30 L67 C338V30-C34 WeakPolarHBondContact O-CB 3.48Å; V30-C34 PolarHBondContact O-N 3.33Å; V30-C34 PolarHBondContact O-SG 2.78Å; V30-C34 VanDerWaalsContact O-SG 3.39Å; C34-L67 HydrophobicContact CB-CB 3.87Å; C34-C338 HydrophobicContact CB-CB 3.85Å; C34-C338 VanDerWaalsContact CB-SG 3.5Å
35V97.9Very high97.2Very high0 Ų035.7 Ų35.70%020%0.198CC..Hα-helixtrans-80.6-35.9-178.9-172.60000110.5L31 D33 G37 L54 L57 L67 L304L31-V35 VanDerWaalsContact O-CB 3.29Å; L31-V35 WeakPolarHBondContact O-CB 3.49Å; L31-V35 WeakPolarHBondContact O-CG2 3.41Å; L31-V35 PolarHBondContact O-N 3.23Å; D33-V35 VanDerWaalsContact C-N 3.34Å; D33-V35 PolarHBondContact O-N 2.76Å; V35-G37 VanDerWaalsContact C-N 3.34Å; V35-L54 HydrophobicContact CG1-CD2 3.62Å; V35-L57 HydrophobicContact CG1-CD1 4.19Å; V35-L57 HydrophobicContact CG2-CD1 3.94Å; V35-L67 HydrophobicContact CB-CD1 4.47Å; V35-L67 HydrophobicContact CG2-CD1 3.84Å; V35-L304 HydrophobicContact CG1-CD2 3.84Å
36G97.9Very high97.1Very high0 Ų039.3 Ų39.30%022%0.221CC..Hα-helixtrans-70.1-28.6177.600000113.3G32 D33 E38 F39 E40 T310G32-G36 VanDerWaalsContact O-CA 3.32Å; G32-G36 WeakPolarHBondContact O-CA 3.33Å; G32-G36 PolarHBondContact O-N 2.69Å; D33-G36 PolarHBondContact O-N 2.62Å; D33-G36 VanDerWaalsContact O-N 3.17Å; G36-E38 PolarHBondContact O-N 3.2Å; G36-F39 PolarHBondContact O-N 3.25Å; G36-E40 PolarHBondContact O-N 3.32Å; G36-T310 PolarHBondContact O-OG1 3.04Å
37G97.2Very high97Very high29 Ų2940.6 Ų40.630%0.29923%0.228SC..G310 helixtrans-61.4-27.3178.800000113.7D33 V35 F39 E40D33-G37 PolarHBondContact O-N 3.3Å; V35-G37 VanDerWaalsContact C-N 3.34Å; G37-F39 PolarHBondContact O-N 3.48Å; G37-F39 VanDerWaalsContact O-N 3.17Å; G37-E40 PolarHBondContact O-N 3.36Å
38E97Very high97Very high118 Ų11848 Ų4855%0.55126%0.263SS*.G310 helixtrans-68.2-13.2176.4-64.3-74107.300113.3G36 H53 L67G36-E38 PolarHBondContact O-N 3.2Å; E38-H53 IonicContact OE2-CE1 2.91Å; E38-L67 HydrophobicContact CG-CD2 4.03Å
39F97.4Very high96.9Very high23 Ų2351 Ų5110%0.10128%0.281CS..G310 helixtrans-120.52.8-177.6-60.7-86.4000113.4G36 G37 G41 A42 V45 T49 H53 L304 T310G36-F39 PolarHBondContact O-N 3.25Å; G37-F39 PolarHBondContact O-N 3.48Å; G37-F39 VanDerWaalsContact O-N 3.17Å; F39-G41 PolarHBondContact O-N 3.13Å; F39-A42 VanDerWaalsContact O-CB 3.29Å; F39-A42 WeakPolarHBondContact O-CB 3.38Å; F39-A42 PolarHBondContact O-N 3.41Å; F39-V45 HydrophobicContact CB-CG2 4.28Å; F39-V45 HydrophobicContact CD1-CG1 3.5Å; F39-V45 VanDerWaalsContact CD1-CG1 3.5Å; F39-V45 HydrophobicContact CD1-CG2 4.3Å; F39-V45 HydrophobicContact CE1-CG1 3.92Å; F39-V45 HydrophobicContact CG-CG1 4.21Å; F39-T49 HydrophobicContact CE1-CG2 3.95Å; F39-H53 HydrophobicContact CE2-CB 4.19Å; F39-H53 AromaticContact CE2-CD2 3.98Å; F39-H53 AromaticContact CE2-CG 3.9Å; F39-H53 HydrophobicContact CZ-CB 3.7Å; F39-H53 AromaticContact CZ-CG 3.85Å; F39-L304 HydrophobicContact CD2-CD2 4.02Å; F39-L304 HydrophobicContact CD2-CG 4.12Å; F39-L304 HydrophobicContact CE2-CD2 3.94Å; F39-T310 HydrophobicContact CB-CG2 4.09Å; F39-T310 PolarHBondContact O-OG1 3.38Å
40E96Very high96.8Very high107 Ų10750.8 Ų50.850%0.528%0.279SS..THydrogen-bonded Turntrans-59.1132.6-172.4-167.3-161.6156.400111.5G36 G37 A42 T310G36-E40 PolarHBondContact O-N 3.32Å; G37-E40 PolarHBondContact O-N 3.36Å; E40-A42 PolarHBondContact O-N 3.18Å; E40-T310 VanDerWaalsContact CA-OG1 3.3Å; E40-T310 WeakPolarHBondContact CA-OG1 3.41Å; E40-T310 PolarHBondContact N-OG1 3.5Å; E40-T310 VanDerWaalsContact N-OG1 3.12Å
41G93.6Very high96.7Very high59 Ų5952.2 Ų52.261%0.60829%0.286SS*.THydrogen-bonded Turntrans78.3-0.917700000114.9F39 E43 G308F39-G41 PolarHBondContact O-N 3.13Å; G41-E43 PolarHBondContact O-N 3.3Å; G41-G308 PolarHBondContact N-O 3.46Å
42A95.1Very high96.6Very high34 Ų3459 Ų5928%0.28132%0.318SS..  trans-70.2126.7174.800000111.1F39 E40 V45 G308F39-A42 VanDerWaalsContact O-CB 3.29Å; F39-A42 WeakPolarHBondContact O-CB 3.38Å; F39-A42 PolarHBondContact O-N 3.41Å; E40-A42 PolarHBondContact O-N 3.18Å; A42-V45 HydrophobicContact CB-CG2 3.63Å; A42-G308 PolarHBondContact O-N 3.49Å
43E90.5Very high96.4Very high183 Ų18361 Ų6186%0.85533%0.327SS*.SBendtrans-65.5-40.9178.7-68.2-175.8172.400112.2G41G41-E43 PolarHBondContact O-N 3.3Å
44E94.1Very high96.2Very high170 Ų17061 Ų6179%0.79433%0.327SS*.  trans-129.4129178.1-67.5-176178.800109.9
45V96.8Very high95.9Very high10 Ų1063.9 Ų63.96%0.06135%0.348CS..  trans-123.795.2176.9-177.10000108.5F39 A42 M47 V50 L304F39-V45 HydrophobicContact CB-CG2 4.28Å; F39-V45 HydrophobicContact CD1-CG1 3.5Å; F39-V45 VanDerWaalsContact CD1-CG1 3.5Å; F39-V45 HydrophobicContact CD1-CG2 4.3Å; F39-V45 HydrophobicContact CE1-CG1 3.92Å; F39-V45 HydrophobicContact CG-CG1 4.21Å; A42-V45 HydrophobicContact CB-CG2 3.63Å; V45-M47 PolarHBondContact O-N 3.25Å; V45-V50 HydrophobicContact CG1-CG2 3.51Å; V45-L304 WeakPolarHBondContact CB-O 3.4Å; V45-L304 WeakPolarHBondContact CG1-O 3.41Å
46P97Very high95.6Very high76 Ų7664.7 Ų64.749%0.49436%0.356SS..  trans-58.5135.2178.7-24.633.9000111.4E48 T49 V50P46-E48 PolarHBondContact O-N 3.48Å; P46-E48 VanDerWaalsContact O-N 3.12Å; P46-T49 WeakPolarHBondContact O-CB 3.48Å; P46-T49 PolarHBondContact O-N 3.4Å; P46-V50 PolarHBondContact O-N 3.27Å
47M97.3Very high95.1Very high31 Ų3165.4 Ų65.415%0.15336%0.359CS..Hα-helixtrans-54.7-34.7178.8-176.359.970.200112.3V45 T49 V50 L51 Y288 L289 Y302 A305V45-M47 PolarHBondContact O-N 3.25Å; M47-T49 VanDerWaalsContact C-N 3.33Å; M47-T49 PolarHBondContact O-N 2.94Å; M47-V50 WeakPolarHBondContact O-CB 3.43Å; M47-V50 PolarHBondContact O-N 3.2Å; M47-V50 HydrophobicContact SD-CB 4.41Å; M47-L51 HydrophobicContact CG-CD1 4.17Å; M47-L51 HydrophobicContact CG-CG 4.24Å; M47-L51 VanDerWaalsContact O-CG 3.31Å; M47-L51 WeakPolarHBondContact O-CG 3.25Å; M47-L51 PolarHBondContact O-N 3.44Å; M47-L51 HydrophobicContact SD-CD2 4.48Å; M47-L51 HydrophobicContact SD-CG 4.3Å; M47-Y288 HydrophobicContact CE-CD2 4.02Å; M47-Y288 HydrophobicContact CE-CE2 3.87Å; M47-L289 HydrophobicContact CE-CD2 3.99Å; M47-L289 HydrophobicContact CG-CD2 4.44Å; M47-L289 HydrophobicContact SD-CD2 3.55Å; M47-L289 VanDerWaalsContact SD-CD2 3.55Å; M47-Y302 HydrophobicContact CE-CD2 4.41Å; M47-A305 HydrophobicContact CE-CB 3.29Å; M47-A305 HydrophobicContact SD-CB 4.11Å
48E97Very high94.6Very high156 Ų15667.5 Ų67.573%0.72936%0.361SS*.Hα-helixtrans-59-42.8175.8-174.7175.9-175.200112.2P46 V50 L51 Q52P46-E48 PolarHBondContact O-N 3.48Å; P46-E48 VanDerWaalsContact O-N 3.12Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å; E48-L51 PolarHBondContact O-N 3.46Å; E48-Q52 WeakPolarHBondContact O-CB 3.43Å; E48-Q52 PolarHBondContact O-N 2.97Å
49T97.3Very high93.9Very high63 Ų6364.7 Ų64.739%0.38735%0.35SS..Hα-helixtrans-63.5-42.1176.7-49.20000111.1F39 P46 M47 Q52 H53F39-T49 HydrophobicContact CE1-CG2 3.95Å; P46-T49 WeakPolarHBondContact O-CB 3.48Å; P46-T49 PolarHBondContact O-N 3.4Å; M47-T49 VanDerWaalsContact C-N 3.33Å; M47-T49 PolarHBondContact O-N 2.94Å; T49-Q52 PolarHBondContact O-N 2.91Å; T49-H53 WeakPolarHBondContact O-CB 3.47Å; T49-H53 PolarHBondContact O-N 2.92Å
50V97.5Very high92.8Very high0 Ų070.1 Ų70.10%038%0.376CS..Hα-helixtrans-60.1-50.9175.4-179.90000110.4V45 P46 M47 E48 Q52 H53 L54 A301 L304 A305V45-V50 HydrophobicContact CG1-CG2 3.51Å; P46-V50 PolarHBondContact O-N 3.27Å; M47-V50 WeakPolarHBondContact O-CB 3.43Å; M47-V50 PolarHBondContact O-N 3.2Å; M47-V50 HydrophobicContact SD-CB 4.41Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å; V50-Q52 VanDerWaalsContact C-N 3.31Å; V50-Q52 PolarHBondContact O-N 3.01Å; V50-H53 PolarHBondContact O-N 3.27Å; V50-L54 HydrophobicContact CG1-CD1 3.91Å; V50-L54 HydrophobicContact CG1-CG 4.25Å; V50-L54 WeakPolarHBondContact O-CG 3.23Å; V50-L54 PolarHBondContact O-N 3.41Å; V50-A301 HydrophobicContact CG1-CB 4.11Å; V50-L304 HydrophobicContact CG1-CB 3.91Å; V50-L304 HydrophobicContact CG1-CD2 3.86Å; V50-L304 HydrophobicContact CG2-CB 3.91Å; V50-A305 HydrophobicContact CG2-CB 4.28Å
51L96.9Very high91.8Very high35 Ų3570.9 Ų70.918%0.18339%0.388CS..Hα-helixtrans-63.5-37.6-178.9-66.1-179.5000112M47 E48 S55 L289 P290 Y293M47-L51 HydrophobicContact CG-CD1 4.17Å; M47-L51 HydrophobicContact CG-CG 4.24Å; M47-L51 VanDerWaalsContact O-CG 3.31Å; M47-L51 WeakPolarHBondContact O-CG 3.25Å; M47-L51 PolarHBondContact O-N 3.44Å; M47-L51 HydrophobicContact SD-CD2 4.48Å; M47-L51 HydrophobicContact SD-CG 4.3Å; E48-L51 PolarHBondContact O-N 3.46Å; L51-S55 VanDerWaalsContact O-CB 3.25Å; L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 2.71Å; L51-S55 PolarHBondContact O-OG 3.34Å; L51-L289 HydrophobicContact CD2-CD2 4.16Å; L51-P290 HydrophobicContact CD1-CG 4.43Å; L51-P290 HydrophobicContact CD2-CG 3.95Å; L51-Y293 HydrophobicContact CD2-CE2 3.93Å
52Q95.8Very high90.4Very high143 Ų14374 Ų7467%0.66839%0.385SS*.Hα-helixtrans-63.8-42.9174.9-173-179.41200111.7E48 T49 V50 G56E48-Q52 WeakPolarHBondContact O-CB 3.43Å; E48-Q52 PolarHBondContact O-N 2.97Å; T49-Q52 PolarHBondContact O-N 2.91Å; V50-Q52 VanDerWaalsContact C-N 3.31Å; V50-Q52 PolarHBondContact O-N 3.01Å; Q52-G56 PolarHBondContact O-N 2.96Å
53H95.1Very high88.9Confident42 Ų4275.4 Ų75.419%0.19440%0.403CS..Hα-helixtrans-63.2-52176.7-178.589.1000111.2E38 F39 T49 V50 S55 G56 L57E38-H53 IonicContact OE2-CE1 2.91Å; F39-H53 HydrophobicContact CE2-CB 4.19Å; F39-H53 AromaticContact CE2-CD2 3.98Å; F39-H53 AromaticContact CE2-CG 3.9Å; F39-H53 HydrophobicContact CZ-CB 3.7Å; F39-H53 AromaticContact CZ-CG 3.85Å; T49-H53 WeakPolarHBondContact O-CB 3.47Å; T49-H53 PolarHBondContact O-N 2.92Å; V50-H53 PolarHBondContact O-N 3.27Å; H53-S55 PolarHBondContact O-N 3.26Å; H53-G56 WeakPolarHBondContact O-CA 3.09Å; H53-G56 PolarHBondContact O-N 3.22Å; H53-L57 PolarHBondContact O-N 2.98Å
54L94.6Very high87.6Confident0 Ų073.3 Ų73.30%040%0.397CS..Hα-helixtrans-61-41.7179.9-66.1-179.5000112.6V35 V50 G56 L57 E58 Y293 A301 W334V35-L54 HydrophobicContact CG1-CD2 3.62Å; V50-L54 HydrophobicContact CG1-CD1 3.91Å; V50-L54 HydrophobicContact CG1-CG 4.25Å; V50-L54 WeakPolarHBondContact O-CG 3.23Å; V50-L54 PolarHBondContact O-N 3.41Å; L54-G56 PolarHBondContact O-N 3.47Å; L54-L57 HydrophobicContact CD2-CD1 4.27Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.48Å; L54-L57 VanDerWaalsContact O-N 3.11Å; L54-E58 PolarHBondContact O-N 2.86Å; L54-Y293 WeakPolarHBondContact CB-OH 3.35Å; L54-Y293 HydrophobicContact CD1-CE2 3.99Å; L54-A301 HydrophobicContact CD1-CB 3.6Å; L54-W334 HydrophobicContact CB-CZ2 3.96Å; L54-W334 HydrophobicContact CD1-CH2 3.8Å; L54-W334 HydrophobicContact CD1-CZ2 4.06Å; L54-W334 HydrophobicContact CD2-CH2 3.56Å; L54-W334 HydrophobicContact CD2-CZ2 3.63Å; L54-W334 HydrophobicContact CD2-CZ3 4.04Å; L54-W334 HydrophobicContact CG-CH2 4.15Å; L54-W334 HydrophobicContact CG-CZ2 4.08Å
55S92.2Very high86.5Confident63 Ų6368.5 Ų68.544%0.44138%0.381SS..Hα-helixtrans-62-33173.9-580000111.6L51 H53 L57 E58 D59L51-S55 VanDerWaalsContact O-CB 3.25Å; L51-S55 WeakPolarHBondContact O-CB 3.33Å; L51-S55 PolarHBondContact O-N 2.71Å; L51-S55 PolarHBondContact O-OG 3.34Å; H53-S55 PolarHBondContact O-N 3.26Å; S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.03Å; S55-E58 PolarHBondContact O-N 3.11Å; S55-D59 PolarHBondContact O-N 3.32Å
56G90.6Very high86.1Confident17 Ų1772.3 Ų72.318%0.17541%0.405CS..Hα-helixtrans-66-29.4174.900000114Q52 H53 L54 E58Q52-G56 PolarHBondContact O-N 2.96Å; H53-G56 WeakPolarHBondContact O-CA 3.09Å; H53-G56 PolarHBondContact O-N 3.22Å; L54-G56 PolarHBondContact O-N 3.47Å; G56-E58 VanDerWaalsContact C-N 3.3Å
57L89.3Confident86Confident14 Ų1469 Ų697%0.07338%0.382CS..Hα-helixtrans-73.9-23.4174.6-58.1178.6000112.4V35 H53 L54 S55 L67 W334 C337V35-L57 HydrophobicContact CG1-CD1 4.19Å; V35-L57 HydrophobicContact CG2-CD1 3.94Å; H53-L57 PolarHBondContact O-N 2.98Å; L54-L57 HydrophobicContact CD2-CD1 4.27Å; L54-L57 WeakPolarHBondContact O-CB 3.49Å; L54-L57 PolarHBondContact O-N 3.48Å; L54-L57 VanDerWaalsContact O-N 3.11Å; S55-L57 VanDerWaalsContact C-N 3.31Å; S55-L57 PolarHBondContact O-N 3.03Å; L57-L67 HydrophobicContact CD1-CD1 4.12Å; L57-L67 HydrophobicContact CD2-CD1 3.91Å; L57-L67 HydrophobicContact CD2-CG 4.44Å; L57-W334 HydrophobicContact CD1-CG 4.43Å; L57-C337 HydrophobicContact CD2-CB 4.38Å
58E85.9Confident86Confident73 Ų7374.4 Ų74.434%0.34141%0.407SS..Hα-helixtrans-86-17.3177.3-63.5-173.2173.800113.2L54 S55 G56 E60L54-E58 PolarHBondContact O-N 2.86Å; S55-E58 PolarHBondContact O-N 3.11Å; G56-E58 VanDerWaalsContact C-N 3.3Å; E58-E60 PolarHBondContact O-N 3.25Å; E58-E60 VanDerWaalsContact O-N 3.11Å
59D83Confident86.1Confident59 Ų5967.5 Ų67.532%0.31638%0.375SS..  trans-70.4103.6-177.9-175.6-4.7000111.7S55 T61 K62S55-D59 PolarHBondContact O-N 3.32Å; D59-T61 VanDerWaalsContact CG-OG1 3.31Å; D59-T61 PolarHBondContact O-N 3.26Å; D59-T61 VanDerWaalsContact O-N 3.13Å; D59-T61 WeakPolarHBondContact OD1-CB 3.31Å; D59-T61 PolarHBondContact OD1-N 3.21Å; D59-T61 PolarHBondContact OD1-OG1 2.99Å; D59-T61 PolarHBondContact OD2-OG1 3.38Å; D59-K62 HydrophobicContact CB-CD 4.28Å; D59-K62 HydrophobicContact CB-CG 4.34Å; D59-K62 PolarHBondContact O-N 2.93Å
60E73.8Confident86.2Confident137 Ų13765.1 Ų65.164%0.6436%0.361SS*.THydrogen-bonded Turntrans-66.6-12.8-179.8-50.9-156.9128.800114.2E58 R333E58-E60 PolarHBondContact O-N 3.25Å; E58-E60 VanDerWaalsContact O-N 3.11Å; E60-R333 IonicContact OE1-CZ 3.76Å; E60-R333 IonicContact OE1-NE 3.68Å; E60-R333 PolarHBondContact OE1-NE 3.16Å; E60-R333 VanDerWaalsContact OE1-NE 3.16Å; E60-R333 IonicContact OE1-NH2 2.71Å; E60-R333 PolarHBondContact OE1-NH2 3.1Å; E60-R333 IonicContact OE2-NH2 3.91Å
61T75.6Confident86.2Confident123 Ų12366 Ų6676%0.75537%0.366SS*.THydrogen-bonded Turntrans-84.6-22.4178.772.60000112.5D59D59-T61 VanDerWaalsContact CG-OG1 3.31Å; D59-T61 PolarHBondContact O-N 3.26Å; D59-T61 VanDerWaalsContact O-N 3.13Å; D59-T61 WeakPolarHBondContact OD1-CB 3.31Å; D59-T61 PolarHBondContact OD1-N 3.21Å; D59-T61 PolarHBondContact OD1-OG1 2.99Å; D59-T61 PolarHBondContact OD2-OG1 3.38Å
62K64.2Low86.3Confident126 Ų12664.4 Ų64.455%0.54836%0.357SS..SBendtrans-76.1123.6166.7-69-179.5-177.5179.30106.8D59D59-K62 HydrophobicContact CB-CD 4.28Å; D59-K62 HydrophobicContact CB-CG 4.34Å; D59-K62 PolarHBondContact O-N 2.93Å
63G63.2Low86.5Confident63 Ų6357.7 Ų57.765%0.64933%0.326SS*.  trans-55.3175.6177.800000112.2C65G63-C65 PolarHBondContact O-N 3.02Å
64N63.1Low86.7Confident139 Ų13955.7 Ų55.774%0.74332%0.317SS*.  trans-59.296.4-179.5-68.3-3.6000110.9
65C70.9Confident86.9Confident68 Ų6855.8 Ų55.846%0.45932%0.317SS..  trans-76.5126.2164.9-1690000107G63 C337G63-C65 PolarHBondContact O-N 3.02Å; C65-C337 VanDerWaalsContact O-CA 3.3Å; C65-C337 WeakPolarHBondContact O-CA 3.36Å; C65-C337 WeakPolarHBondContact O-CB 3.45Å; C65-C337 PolarHBondContact O-SG 3.49Å; C65-C337 VanDerWaalsContact O-SG 3.39Å
66V88Confident87.2Confident91 Ų9153.4 Ų53.455%0.55230%0.3SS*.  trans-105.9111.2173.1-177.30000107.1C337 E339V66-C337 CarbonylContact C-O 3.59Å; V66-C337 VanDerWaalsContact CA-O 3.28Å; V66-C337 WeakPolarHBondContact CA-O 3.09Å; V66-E339 HydrophobicContact CG1-CB 4.19Å
67L95.9Very high87.6Confident5 Ų555.6 Ų55.63%0.02630%0.303CS..BIsolated β-bridgetrans-78.7120.5166.8-58.2178.9000107.7C34 V35 E38 L57 C337 E339C34-L67 HydrophobicContact CB-CB 3.87Å; V35-L67 HydrophobicContact CB-CD1 4.47Å; V35-L67 HydrophobicContact CG2-CD1 3.84Å; E38-L67 HydrophobicContact CG-CD2 4.03Å; L57-L67 HydrophobicContact CD1-CD1 4.12Å; L57-L67 HydrophobicContact CD2-CD1 3.91Å; L57-L67 HydrophobicContact CD2-CG 4.44Å; L67-C337 PolarHBondContact N-O 3.17Å; L67-E339 WeakPolarHBondContact O-CB 3.45Å; L67-E339 PolarHBondContact O-N 2.71Å
68E97.3Very high88Confident145 Ų14555 Ų5568%0.67830%0.3SS*.PPolyproline II helixtrans-74.7149.1176.8-64-172.5175.500109.9E339E68-E339 WeakPolarHBondContact CA-OE2 3.43Å
69Y98.5Very high88.7Confident12 Ų1251.6 Ų51.65%0.04728%0.284CS..PPolyproline II helixtrans-86.6156.7173.768.6-113.2000111.5T73 A74 R77 R108 E339Y69-T73 HydrophobicContact CD1-CG2 3.89Å; Y69-T73 HydrophobicContact CD2-CG2 3.91Å; Y69-T73 HydrophobicContact CE1-CG2 4.47Å; Y69-T73 HydrophobicContact CE2-CG2 4.5Å; Y69-T73 HydrophobicContact CG-CG2 3.61Å; Y69-A74 HydrophobicContact CD2-CB 4.41Å; Y69-A74 HydrophobicContact CE2-CB 3.86Å; Y69-R77 PolarHBondContact OH-NH1 3.25Å; Y69-R108 VanDerWaalsContact CZ-CZ 3.46Å; Y69-R108 WeakPolarHBondContact O-CD 3.37Å; Y69-R108 PolarHBondContact O-NH1 3.34Å; Y69-R108 PolarHBondContact OH-NH2 3Å; Y69-E339 HydrophobicContact CD1-CB 3.83Å; Y69-E339 VanDerWaalsContact CD1-CD 3.45Å; Y69-E339 HydrophobicContact CD1-CG 3.6Å; Y69-E339 WeakPolarHBondContact CD1-OE2 3.27Å; Y69-E339 HydrophobicContact CE1-CB 4.44Å; Y69-E339 HydrophobicContact CE1-CG 3.7Å; Y69-E339 VanDerWaalsContact CE1-OE1 3.31Å; Y69-E339 WeakPolarHBondContact CE1-OE1 3.43Å; Y69-E339 PolarHBondContact N-OE2 3.39Å
70S98.6Very high89.4Confident13 Ų1349.1 Ų49.19%0.09127%0.271CS..  trans-96.1-166178.187.30000113.5D33 D72 T73 A74 R108 D311D33-S70 VanDerWaalsContact OD1-CB 3.28Å; D33-S70 WeakPolarHBondContact OD1-CB 3.37Å; D33-S70 PolarHBondContact OD1-N 3.36Å; D33-S70 PolarHBondContact OD1-OG 3.38Å; D33-S70 VanDerWaalsContact OD1-OG 3.07Å; D33-S70 PolarHBondContact OD2-N 3.09Å; D33-S70 VanDerWaalsContact OD2-N 3.15Å; S70-D72 PolarHBondContact O-N 3.17Å; S70-D72 PolarHBondContact OG-N 3.16Å; S70-T73 PolarHBondContact O-N 3.29Å; S70-A74 PolarHBondContact O-N 3.36Å; S70-A74 VanDerWaalsContact O-N 3.15Å; S70-R108 CarbonylContact C-O 3.47Å; S70-R108 WeakPolarHBondContact CA-O 3.36Å; S70-R108 WeakPolarHBondContact CB-O 3.45Å; S70-D311 PolarHBondContact OG-OD2 2.86Å; S70-D311 VanDerWaalsContact OG-OD2 3.04Å
71D98.7Very high90.6Very high18 Ų1845.8 Ų45.810%0.09626%0.256CS..Hα-helixtrans-64.4-21.8176.357.1-63.9000113A74 M75 R108 G109 Y110 M149D71-A74 PolarHBondContact O-N 3.33Å; D71-M75 WeakPolarHBondContact O-CB 3.36Å; D71-M75 VanDerWaalsContact O-CG 3.28Å; D71-M75 WeakPolarHBondContact O-CG 3.3Å; D71-M75 PolarHBondContact O-N 3.09Å; D71-R108 HydrophobicContact CB-CB 4.48Å; D71-R108 PolarHBondContact N-O 2.92Å; D71-G109 WeakPolarHBondContact OD1-CA 3.44Å; D71-Y110 HydrophobicContact CB-CD1 3.48Å; D71-Y110 VanDerWaalsContact CB-CD1 3.48Å; D71-Y110 HydrophobicContact CB-CD2 4.18Å; D71-Y110 HydrophobicContact CB-CE1 3.53Å; D71-Y110 HydrophobicContact CB-CE2 4.21Å; D71-Y110 HydrophobicContact CB-CG 3.83Å; D71-Y110 PolarHBondContact OD1-N 3.32Å; D71-Y110 WeakPolarHBondContact OD2-CA 3.32Å; D71-M149 HydrophobicContact CB-CE 4.29Å; D71-M149 WeakPolarHBondContact O-CE 3.49Å; D71-M149 WeakPolarHBondContact OD2-CE 3.25Å
72D98.9Very high91.7Very high1 Ų140 Ų401%0.00522%0.22CC..Hα-helixtrans-48.4-62.8169.8-83.144.2000112.2D33 S70 T76 M149 T312 C315D33-D72 HydrophobicContact CB-CB 4.03Å; D33-D72 WeakPolarHBondContact OD2-CB 3.49Å; S70-D72 PolarHBondContact O-N 3.17Å; S70-D72 PolarHBondContact OG-N 3.16Å; D72-T76 VanDerWaalsContact O-CB 3.26Å; D72-T76 WeakPolarHBondContact O-CB 3.1Å; D72-T76 PolarHBondContact O-N 3.12Å; D72-T76 PolarHBondContact O-OG1 2.95Å; D72-M149 HydrophobicContact CB-SD 4.46Å; D72-M149 WeakPolarHBondContact OD2-CB 3.15Å; D72-T312 VanDerWaalsContact OD2-CA 3.3Å; D72-T312 WeakPolarHBondContact OD2-CA 3.36Å; D72-C315 VanDerWaalsContact OD2-CB 3.31Å; D72-C315 WeakPolarHBondContact OD2-CB 3.32Å; D72-C315 PolarHBondContact OD2-SG 2.69Å; D72-C315 VanDerWaalsContact OD2-SG 3.42Å
73T98.9Very high93.4Very high3 Ų334 Ų342%0.01820%0.195CC..Hα-helixtrans-71.2-37.8178.3-66.40000111.5V30 D33 Y69 S70 M75 T76 R77V30-T73 HydrophobicContact CG1-CG2 4.42Å; V30-T73 HydrophobicContact CG2-CG2 3.84Å; D33-T73 WeakPolarHBondContact OD2-CB 3.2Å; D33-T73 PolarHBondContact OD2-N 3.17Å; D33-T73 PolarHBondContact OD2-OG1 3.44Å; Y69-T73 HydrophobicContact CD1-CG2 3.89Å; Y69-T73 HydrophobicContact CD2-CG2 3.91Å; Y69-T73 HydrophobicContact CE1-CG2 4.47Å; Y69-T73 HydrophobicContact CE2-CG2 4.5Å; Y69-T73 HydrophobicContact CG-CG2 3.61Å; S70-T73 PolarHBondContact O-N 3.29Å; T73-M75 VanDerWaalsContact C-N 3.34Å; T73-M75 PolarHBondContact O-N 3.25Å; T73-T76 PolarHBondContact O-N 2.97Å; T73-R77 HydrophobicContact CG2-CG 4.15Å; T73-R77 WeakPolarHBondContact O-CB 3.33Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.39Å; T73-R77 PolarHBondContact O-N 3.33Å
74A98.8Very high95Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-57.3-48179.800000111.5Y69 S70 D71 C78 E101 R108Y69-A74 HydrophobicContact CD2-CB 4.41Å; Y69-A74 HydrophobicContact CE2-CB 3.86Å; S70-A74 PolarHBondContact O-N 3.36Å; S70-A74 VanDerWaalsContact O-N 3.15Å; D71-A74 PolarHBondContact O-N 3.33Å; A74-C78 PolarHBondContact O-N 3.48Å; A74-C78 PolarHBondContact O-SG 3.1Å; A74-E101 HydrophobicContact CB-CG 4.1Å; A74-R108 HydrophobicContact CB-CG 4.48Å
75M98.8Very high96.7Very high2 Ų229.6 Ų29.61%0.0116%0.156CC..Hα-helixtrans-74.8-34.3178-61.7-158.278.500112.1D71 T73 R77 C78 V79 F98 Y110 L118 M149 R150 T175D71-M75 WeakPolarHBondContact O-CB 3.36Å; D71-M75 VanDerWaalsContact O-CG 3.28Å; D71-M75 WeakPolarHBondContact O-CG 3.3Å; D71-M75 PolarHBondContact O-N 3.09Å; T73-M75 VanDerWaalsContact C-N 3.34Å; T73-M75 PolarHBondContact O-N 3.25Å; M75-R77 VanDerWaalsContact C-N 3.33Å; M75-R77 PolarHBondContact O-N 3.04Å; M75-C78 VanDerWaalsContact O-CB 3.31Å; M75-C78 WeakPolarHBondContact O-CB 3.49Å; M75-C78 PolarHBondContact O-N 2.94Å; M75-C78 VanDerWaalsContact O-N 3.14Å; M75-V79 WeakPolarHBondContact O-CG2 3.5Å; M75-V79 PolarHBondContact O-N 2.94Å; M75-V79 VanDerWaalsContact O-N 3.1Å; M75-F98 HydrophobicContact CB-CE1 4.2Å; M75-F98 HydrophobicContact CE-CB 4.02Å; M75-F98 HydrophobicContact CE-CD1 3.38Å; M75-F98 HydrophobicContact CE-CD2 3.72Å; M75-F98 HydrophobicContact CE-CE1 3.61Å; M75-F98 HydrophobicContact CE-CE2 3.93Å; M75-F98 HydrophobicContact CE-CG 3.44Å; M75-F98 VanDerWaalsContact CE-CG 3.44Å; M75-F98 HydrophobicContact CE-CZ 3.89Å; M75-Y110 HydrophobicContact CG-CE1 3.79Å; M75-Y110 HydrophobicContact SD-CD1 4.42Å; M75-Y110 HydrophobicContact SD-CE1 4.05Å; M75-L118 HydrophobicContact CE-CD2 4.12Å; M75-M149 HydrophobicContact CB-CE 4.06Å; M75-M149 HydrophobicContact CG-CE 3.92Å; M75-M149 HydrophobicContact SD-CE 3.67Å; M75-R150 HydrophobicContact CB-CB 4.26Å; M75-R150 VanDerWaalsContact CB-CD 3.49Å; M75-R150 HydrophobicContact CB-CG 4.49Å; M75-R150 PolarHBondContact SD-NH1 3.14Å; M75-T175 HydrophobicContact CE-CG2 4.35Å
76T98.9Very high98Very high13 Ų1332.8 Ų32.88%0.0816%0.158CC..Hα-helixtrans-58.4-44.6172.7-66.60000111.3D72 T73 C78 V79 V80 R150 P153D72-T76 VanDerWaalsContact O-CB 3.26Å; D72-T76 WeakPolarHBondContact O-CB 3.1Å; D72-T76 PolarHBondContact O-N 3.12Å; D72-T76 PolarHBondContact O-OG1 2.95Å; T73-T76 PolarHBondContact O-N 2.97Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.14Å; T76-V79 PolarHBondContact O-N 3.2Å; T76-V79 VanDerWaalsContact O-N 3.1Å; T76-V80 HydrophobicContact CG2-CG2 4.31Å; T76-V80 WeakPolarHBondContact O-CG2 3.49Å; T76-V80 PolarHBondContact O-N 3.48Å; T76-R150 WeakPolarHBondContact OG1-CA 3.44Å; T76-P153 HydrophobicContact CG2-CG 3.78Å
77R98.9Very high98.3Very high62 Ų6232.3 Ų32.323%0.23416%0.159CC..Hα-helixtrans-58.6-38.4175.4-70.817280.5-156.87.5111.6Y69 T73 M75 V80 Q81 D343Y69-R77 PolarHBondContact OH-NH1 3.25Å; T73-R77 HydrophobicContact CG2-CG 4.15Å; T73-R77 WeakPolarHBondContact O-CB 3.33Å; T73-R77 VanDerWaalsContact O-CG 3.27Å; T73-R77 WeakPolarHBondContact O-CG 3.39Å; T73-R77 PolarHBondContact O-N 3.33Å; M75-R77 VanDerWaalsContact C-N 3.33Å; M75-R77 PolarHBondContact O-N 3.04Å; R77-V80 PolarHBondContact O-N 2.89Å; R77-Q81 WeakPolarHBondContact O-CB 3.39Å; R77-Q81 WeakPolarHBondContact O-CG 3.5Å; R77-Q81 PolarHBondContact O-N 3.41Å; R77-D343 IonicContact CZ-OD2 3.73Å; R77-D343 IonicContact NE-OD2 2.78Å; R77-D343 IonicContact NH2-OD2 2.71Å; R77-D343 PolarHBondContact NH2-OD2 3.06Å
78C98.9Very high98.3Very high3 Ų332.8 Ų32.82%0.0217%0.165CC..Hα-helixtrans-62.5-43.9174.7-68.40000112.6A74 M75 T76 Q81 S82 L94 R97 F98 E101A74-C78 PolarHBondContact O-N 3.48Å; A74-C78 PolarHBondContact O-SG 3.1Å; M75-C78 VanDerWaalsContact O-CB 3.31Å; M75-C78 WeakPolarHBondContact O-CB 3.49Å; M75-C78 PolarHBondContact O-N 2.94Å; M75-C78 VanDerWaalsContact O-N 3.14Å; T76-C78 VanDerWaalsContact C-N 3.26Å; T76-C78 PolarHBondContact O-N 3.14Å; C78-Q81 PolarHBondContact O-N 3.09Å; C78-S82 WeakPolarHBondContact O-CB 3.33Å; C78-S82 PolarHBondContact O-N 3.46Å; C78-L94 HydrophobicContact CB-CD1 4.45Å; C78-R97 HydrophobicContact CB-CB 3.96Å; C78-R97 WeakPolarHBondContact O-CD 3.36Å; C78-F98 HydrophobicContact CB-CD1 3.5Å; C78-F98 HydrophobicContact CB-CE1 3.6Å; C78-E101 WeakPolarHBondContact SG-CB 3.32Å
79V98.9Very high98.3Very high1 Ų127.4 Ų27.41%0.00614%0.139CC..Hα-helixtrans-61.6-51.4177-179.30000110.1M75 T76 Q81 S82 L83 L94 F98 R150 P153 F154M75-V79 WeakPolarHBondContact O-CG2 3.5Å; M75-V79 PolarHBondContact O-N 2.94Å; M75-V79 VanDerWaalsContact O-N 3.1Å; T76-V79 PolarHBondContact O-N 3.2Å; T76-V79 VanDerWaalsContact O-N 3.1Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 3.4Å; V79-S82 PolarHBondContact O-N 3.29Å; V79-L83 HydrophobicContact CG1-CD1 3.75Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 3.28Å; V79-L94 HydrophobicContact CB-CD1 4.39Å; V79-L94 HydrophobicContact CG2-CD1 4.03Å; V79-L94 HydrophobicContact CG2-CD2 4.46Å; V79-F98 HydrophobicContact CG2-CE1 4Å; V79-F98 HydrophobicContact CG2-CZ 3.89Å; V79-R150 HydrophobicContact CG2-CB 4.28Å; V79-R150 HydrophobicContact CG2-CG 4.28Å; V79-P153 HydrophobicContact CB-CB 4.41Å; V79-P153 HydrophobicContact CB-CG 4.28Å; V79-P153 HydrophobicContact CG1-CB 3.79Å; V79-P153 HydrophobicContact CG1-CG 4.11Å; V79-F154 HydrophobicContact CG1-CD1 4.41Å; V79-F154 HydrophobicContact CG1-CD2 4.49Å; V79-F154 HydrophobicContact CG1-CE1 3.82Å; V79-F154 HydrophobicContact CG1-CE2 3.91Å; V79-F154 HydrophobicContact CG1-CZ 3.53Å; V79-F154 HydrophobicContact CG2-CZ 4.42Å
80V98.9Very high98.3Very high7 Ų728.3 Ų28.34%0.04214%0.144CC..Hα-helixtrans-56-48.6178.4172.20000111.2L26 T76 R77 S82 L83 L84 P153 N347 L351L26-V80 HydrophobicContact CD1-CG2 4.32Å; T76-V80 HydrophobicContact CG2-CG2 4.31Å; T76-V80 WeakPolarHBondContact O-CG2 3.49Å; T76-V80 PolarHBondContact O-N 3.48Å; R77-V80 PolarHBondContact O-N 2.89Å; V80-S82 PolarHBondContact O-N 2.83Å; V80-L83 PolarHBondContact O-N 3.43Å; V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.4Å; V80-L84 PolarHBondContact O-N 2.89Å; V80-P153 HydrophobicContact CG2-CB 3.82Å; V80-P153 HydrophobicContact CG2-CG 3.58Å; V80-N347 HydrophobicContact CG1-CB 3.58Å; V80-L351 HydrophobicContact CB-CD1 4.43Å; V80-L351 HydrophobicContact CG1-CD1 3.91Å; V80-L351 HydrophobicContact CG1-CG 4.42Å; V80-L351 HydrophobicContact CG2-CD1 3.98Å
81Q98.8Very high98.3Very high66 Ų6631.1 Ų31.131%0.30816%0.156SC..Hα-helixtrans-65.5-37.5-179.8-72.2174.415.800112.9R77 C78 V79 N85R77-Q81 WeakPolarHBondContact O-CB 3.39Å; R77-Q81 WeakPolarHBondContact O-CG 3.5Å; R77-Q81 PolarHBondContact O-N 3.41Å; C78-Q81 PolarHBondContact O-N 3.09Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 3.4Å; Q81-N85 VanDerWaalsContact O-CB 3.23Å; Q81-N85 WeakPolarHBondContact O-CB 3.32Å; Q81-N85 PolarHBondContact O-N 3.23Å; Q81-N85 PolarHBondContact O-ND2 3.22Å
82S98.8Very high98.3Very high2 Ų232.8 Ų32.81%0.01416%0.163CC..Hα-helixtrans-63-52.9175.8-176.40000110.4C78 V79 V80 L84 N85 R86 D93C78-S82 WeakPolarHBondContact O-CB 3.33Å; C78-S82 PolarHBondContact O-N 3.46Å; V79-S82 PolarHBondContact O-N 3.29Å; V80-S82 PolarHBondContact O-N 2.83Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 3.17Å; S82-N85 PolarHBondContact O-N 2.74Å; S82-R86 WeakPolarHBondContact O-CB 3.28Å; S82-R86 WeakPolarHBondContact O-CG 3.39Å; S82-R86 PolarHBondContact O-N 3.08Å; S82-D93 WeakPolarHBondContact CA-OD2 3.36Å; S82-D93 PolarHBondContact OG-OD2 2.84Å
83L98.7Very high98.2Very high1 Ų134.1 Ų34.11%0.00517%0.171CC..Hα-helixtrans-56.1-44.4-179.7-68.1169.1000111.9V79 V80 S87 G88 P153 F154 A157 F158 L351 L354V79-L83 HydrophobicContact CG1-CD1 3.75Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 VanDerWaalsContact O-CG 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.27Å; V79-L83 PolarHBondContact O-N 3.28Å; V80-L83 PolarHBondContact O-N 3.43Å; L83-S87 VanDerWaalsContact O-CA 3.25Å; L83-S87 WeakPolarHBondContact O-CA 3.27Å; L83-S87 PolarHBondContact O-N 3.41Å; L83-G88 WeakPolarHBondContact CA-O 3.41Å; L83-G88 PolarHBondContact O-N 3.48Å; L83-G88 VanDerWaalsContact O-N 3.13Å; L83-P153 HydrophobicContact CD1-CB 3.9Å; L83-F154 HydrophobicContact CD1-CD1 4.25Å; L83-F154 HydrophobicContact CD1-CE1 4.45Å; L83-F154 HydrophobicContact CD2-CD1 4.37Å; L83-F154 HydrophobicContact CD2-CE1 4.39Å; L83-A157 HydrophobicContact CB-CB 4.46Å; L83-A157 HydrophobicContact CD1-CB 3.85Å; L83-A157 HydrophobicContact CD2-CB 4.22Å; L83-A157 HydrophobicContact CG-CB 4.4Å; L83-F158 HydrophobicContact CD2-CE2 3.79Å; L83-F158 HydrophobicContact CD2-CZ 3.97Å; L83-L351 HydrophobicContact CB-CD2 4.3Å; L83-L354 HydrophobicContact CB-CD2 4.41Å
84L98.3Very high98.2Very high22 Ų2234.1 Ų34.112%0.11517%0.17CC..Hα-helixtrans-70.8-40.5179.7-68.7175.7000113.2V80 S82 N347 R350 L351 L354V80-L84 HydrophobicContact CG1-CD1 3.78Å; V80-L84 HydrophobicContact CG1-CG 4.46Å; V80-L84 WeakPolarHBondContact O-CB 3.46Å; V80-L84 VanDerWaalsContact O-CG 3.25Å; V80-L84 WeakPolarHBondContact O-CG 3.4Å; V80-L84 PolarHBondContact O-N 2.89Å; S82-L84 VanDerWaalsContact C-N 3.3Å; S82-L84 PolarHBondContact O-N 3.17Å; L84-N347 HydrophobicContact CD1-CB 4.28Å; L84-R350 HydrophobicContact CD1-CB 3.8Å; L84-R350 HydrophobicContact CD2-CB 3.68Å; L84-R350 HydrophobicContact CG-CB 4.41Å; L84-L351 HydrophobicContact CD1-CG 4.5Å; L84-L351 HydrophobicContact CD2-CD2 3.89Å; L84-L351 HydrophobicContact CD2-CG 4.02Å; L84-L351 HydrophobicContact CG-CD2 4.12Å; L84-L351 HydrophobicContact CG-CG 4.29Å; L84-L354 HydrophobicContact CD2-CB 4.49Å; L84-L354 HydrophobicContact CD2-CD2 4.41Å
85N98Very high98.2Very high87 Ų8734.1 Ų34.147%0.46517%0.171SC..Hα-helixtrans-78-27.2-177.1-69.9-27000112.8Q81 S82 R97Q81-N85 VanDerWaalsContact O-CB 3.23Å; Q81-N85 WeakPolarHBondContact O-CB 3.32Å; Q81-N85 PolarHBondContact O-N 3.23Å; Q81-N85 PolarHBondContact O-ND2 3.22Å; S82-N85 PolarHBondContact O-N 2.74Å; N85-R97 VanDerWaalsContact ND2-CZ 3.34Å; N85-R97 PolarHBondContact ND2-NH1 3.26Å; N85-R97 PolarHBondContact ND2-NH2 3.34Å
86R97.8Very high98.2Very high134 Ų13441.3 Ų41.351%0.50620%0.198SC..Hα-helixtrans-98.8-6.7179.3-53.6-60.7-70.3158.6-3.7112.6S82 G88 D90 D93S82-R86 WeakPolarHBondContact O-CB 3.28Å; S82-R86 WeakPolarHBondContact O-CG 3.39Å; S82-R86 PolarHBondContact O-N 3.08Å; R86-G88 PolarHBondContact O-N 3.27Å; R86-D90 HydrophobicContact CB-CB 4.06Å; R86-D90 HydrophobicContact CG-CB 3.81Å; R86-D90 IonicContact CZ-OD2 3.18Å; R86-D90 IonicContact NE-OD2 2.81Å; R86-D90 PolarHBondContact NE-OD2 3.42Å; R86-D90 IonicContact NH2-OD2 2.72Å; R86-D90 PolarHBondContact NH2-OD2 3.02Å; R86-D93 HydrophobicContact CG-CB 3.9Å
87S95.6Very high98.1Very high82 Ų8243 Ų4357%0.57320%0.202SC*.THydrogen-bonded Turntrans52.838.7-174.7-56.10000112.3L83L83-S87 VanDerWaalsContact O-CA 3.25Å; L83-S87 WeakPolarHBondContact O-CA 3.27Å; L83-S87 PolarHBondContact O-N 3.41Å
88G95.3Very high98.1Very high15 Ų1540.1 Ų40.116%0.15519%0.192CC..SBendtrans156.7-174.5-170.300000111.9L83 R86L83-G88 WeakPolarHBondContact CA-O 3.41Å; L83-G88 PolarHBondContact O-N 3.48Å; L83-G88 VanDerWaalsContact O-N 3.13Å; R86-G88 PolarHBondContact O-N 3.27Å
89Y97.9Very high98.1Very high32 Ų3240.1 Ų40.113%0.12519%0.192CC..  trans-83.6131.7177.6-179-99.3000111.3E91 L94 Y130 F154 F167 L170 G171Y89-E91 HydrophobicContact CE1-CB 3.78Å; Y89-E91 WeakPolarHBondContact OH-CB 3.32Å; Y89-L94 HydrophobicContact CE2-CD2 4Å; Y89-Y130 PolarHBondContact OH-OH 3.24Å; Y89-Y130 VanDerWaalsContact OH-OH 3.05Å; Y89-F154 AromaticContact CD2-CE1 3.92Å; Y89-F154 HydrophobicContact CD2-CE1 3.92Å; Y89-F154 HydrophobicContact CE2-CE1 4.17Å; Y89-F167 AromaticContact CD1-CD1 3.55Å; Y89-F167 HydrophobicContact CD1-CD1 3.55Å; Y89-F167 AromaticContact CD1-CE1 3.86Å; Y89-F167 HydrophobicContact CD1-CE1 3.86Å; Y89-F167 HydrophobicContact CD2-CB 4.26Å; Y89-F167 HydrophobicContact CD2-CD1 4.11Å; Y89-F167 HydrophobicContact CD2-CG 4.49Å; Y89-F167 HydrophobicContact CE1-CD1 4.4Å; Y89-F167 HydrophobicContact CG-CB 4.33Å; Y89-F167 AromaticContact CG-CD1 3.37Å; Y89-F167 HydrophobicContact CG-CD1 3.37Å; Y89-F167 AromaticContact CG-CE1 3.92Å; Y89-F167 HydrophobicContact CG-CE1 3.92Å; Y89-F167 HydrophobicContact CG-CG 4.07Å; Y89-L170 HydrophobicContact CD1-CD1 4.41Å; Y89-L170 HydrophobicContact CE1-CB 3.75Å; Y89-L170 HydrophobicContact CE1-CD1 3.97Å; Y89-L170 HydrophobicContact CE2-CB 4.33Å; Y89-L170 WeakPolarHBondContact OH-CB 3.41Å; Y89-L170 PolarHBondContact OH-O 3.13Å; Y89-L170 VanDerWaalsContact OH-O 3.09Å; Y89-G171 PolarHBondContact OH-N 2.71Å
90D98.4Very high98.1Very high30 Ų3047.8 Ų47.816%0.1623%0.225CC..  trans-140.8109.2172.3-175.7-46.6000108R86 Q92 D93 L94R86-D90 HydrophobicContact CB-CB 4.06Å; R86-D90 HydrophobicContact CG-CB 3.81Å; R86-D90 IonicContact CZ-OD2 3.18Å; R86-D90 IonicContact NE-OD2 2.81Å; R86-D90 PolarHBondContact NE-OD2 3.42Å; R86-D90 IonicContact NH2-OD2 2.72Å; R86-D90 PolarHBondContact NH2-OD2 3.02Å; D90-Q92 VanDerWaalsContact C-N 3.27Å; D90-Q92 PolarHBondContact O-N 3.4Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.24Å; D90-Q92 PolarHBondContact OD1-N 3.37Å; D90-D93 HydrophobicContact CB-CB 4.05Å; D90-D93 PolarHBondContact O-N 2.94Å; D90-D93 PolarHBondContact OD1-N 3.43Å; D90-L94 WeakPolarHBondContact O-CB 3.37Å; D90-L94 PolarHBondContact O-N 3.24Å
91E98.1Very high98.1Very high72 Ų7249 Ų4934%0.33623%0.231SC..Hα-helixtrans-64.5-31.9-176.262.2-86.4-160.400112.8Y89 A95 V129 Y130 L174Y89-E91 HydrophobicContact CE1-CB 3.78Å; Y89-E91 WeakPolarHBondContact OH-CB 3.32Å; E91-A95 WeakPolarHBondContact O-CB 3.27Å; E91-A95 PolarHBondContact O-N 3.4Å; E91-V129 HydrophobicContact CB-CG2 4.05Å; E91-V129 HydrophobicContact CG-CG2 3.9Å; E91-Y130 HydrophobicContact CB-CE2 4.32Å; E91-Y130 WeakPolarHBondContact CB-OH 3.2Å; E91-Y130 HydrophobicContact CG-CE2 4.17Å; E91-L174 HydrophobicContact CB-CD2 4.45Å
92Q97.7Very high98Very high53 Ų5347.1 Ų47.125%0.24822%0.221CC..Hα-helixtrans-75-44.1-178.6-65.8-72.2-2200110.8D90 R96 V127 V129D90-Q92 VanDerWaalsContact C-N 3.27Å; D90-Q92 PolarHBondContact O-N 3.4Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.24Å; D90-Q92 PolarHBondContact OD1-N 3.37Å; Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.41Å; Q92-R96 VanDerWaalsContact O-N 3.17Å; Q92-V127 PolarHBondContact NE2-O 2.87Å; Q92-V127 VanDerWaalsContact NE2-O 3.1Å; Q92-V129 VanDerWaalsContact OE1-CG1 3.26Å
93D98.3Very high98Very high30 Ų3051 Ų5116%0.1625%0.248CC..Hα-helixtrans-63.7-45.2174.8-169.969.4000110.8S82 R86 D90 R96 R97S82-D93 WeakPolarHBondContact CA-OD2 3.36Å; S82-D93 PolarHBondContact OG-OD2 2.84Å; R86-D93 HydrophobicContact CG-CB 3.9Å; D90-D93 HydrophobicContact CB-CB 4.05Å; D90-D93 PolarHBondContact O-N 2.94Å; D90-D93 PolarHBondContact OD1-N 3.43Å; D93-R96 PolarHBondContact O-N 3.41Å; D93-R97 WeakPolarHBondContact O-CG 3.15Å; D93-R97 PolarHBondContact O-N 3.4Å; D93-R97 IonicContact OD1-NE 3.71Å; D93-R97 IonicContact OD1-NH2 3.65Å; D93-R97 PolarHBondContact OD1-NH2 3.22Å; D93-R97 IonicContact OD2-CZ 2.67Å; D93-R97 VanDerWaalsContact OD2-CZ 3.3Å; D93-R97 IonicContact OD2-NE 3.15Å; D93-R97 PolarHBondContact OD2-NE 2.98Å; D93-R97 IonicContact OD2-NH2 2.69Å; D93-R97 PolarHBondContact OD2-NH2 3Å
94L98.7Very high97.9Very high2 Ų254.3 Ų54.31%0.0128%0.275CS..Hα-helixtrans-64.2-45.3-179.6-175.754.2000112.2C78 V79 Y89 D90 R96 R97 F98 F154 L174C78-L94 HydrophobicContact CB-CD1 4.45Å; V79-L94 HydrophobicContact CB-CD1 4.39Å; V79-L94 HydrophobicContact CG2-CD1 4.03Å; V79-L94 HydrophobicContact CG2-CD2 4.46Å; Y89-L94 HydrophobicContact CE2-CD2 4Å; D90-L94 WeakPolarHBondContact O-CB 3.37Å; D90-L94 PolarHBondContact O-N 3.24Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 3.36Å; L94-R97 PolarHBondContact O-N 3.12Å; L94-F98 HydrophobicContact CD1-CD1 4.21Å; L94-F98 HydrophobicContact CD1-CE1 3.61Å; L94-F98 HydrophobicContact CD1-CE2 4.11Å; L94-F98 HydrophobicContact CD1-CZ 3.54Å; L94-F98 HydrophobicContact CD2-CE2 4.26Å; L94-F98 HydrophobicContact CD2-CZ 4.07Å; L94-F98 HydrophobicContact CG-CD2 4.4Å; L94-F98 HydrophobicContact CG-CE1 4.25Å; L94-F98 HydrophobicContact CG-CE2 3.81Å; L94-F98 HydrophobicContact CG-CZ 3.72Å; L94-F98 WeakPolarHBondContact O-CG 3.5Å; L94-F98 PolarHBondContact O-N 3.46Å; L94-F154 HydrophobicContact CD2-CZ 4.3Å; L94-L174 HydrophobicContact CB-CD1 3.89Å; L94-L174 HydrophobicContact CD2-CD1 3.66Å; L94-L174 HydrophobicContact CG-CD1 3.61Å
95A98.4Very high97.9Very high1 Ų155.2 Ų55.21%0.00828%0.284CS..Hα-helixtrans-57.8-44.6176.400000112.5E91 R97 F98 A99 L121 V129 L174E91-A95 WeakPolarHBondContact O-CB 3.27Å; E91-A95 PolarHBondContact O-N 3.4Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 3.48Å; A95-F98 PolarHBondContact O-N 3.46Å; A95-A99 PolarHBondContact O-N 3.38Å; A95-A99 VanDerWaalsContact O-N 3.11Å; A95-L121 HydrophobicContact CB-CD1 4.34Å; A95-L121 HydrophobicContact CB-CD2 4.09Å; A95-V129 HydrophobicContact CB-CB 3.79Å; A95-V129 HydrophobicContact CB-CG1 3.69Å; A95-V129 HydrophobicContact CB-CG2 4.48Å; A95-L174 HydrophobicContact CB-CD1 4.49Å; A95-L174 HydrophobicContact CB-CD2 4.06Å
96R97.9Very high97.8Very high153 Ų15354.4 Ų54.458%0.57728%0.283SS*.Hα-helixtrans-65.9-36.4177.6-71.3175-163.3143.27112.2Q92 D93 L94 A99 K100Q92-R96 VanDerWaalsContact O-CG 3.27Å; Q92-R96 WeakPolarHBondContact O-CG 3.41Å; Q92-R96 PolarHBondContact O-N 3.41Å; Q92-R96 VanDerWaalsContact O-N 3.17Å; D93-R96 PolarHBondContact O-N 3.41Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 3.36Å; R96-A99 PolarHBondContact O-N 2.81Å; R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.46Å; R96-K100 PolarHBondContact O-N 2.82Å
97R98.6Very high97.8Very high47 Ų4751.8 Ų51.818%0.17730%0.298CS..Hα-helixtrans-64.4-45.5175.1-73.7178.9-167.9-74.7-16.8111.7C78 N85 D93 L94 A95 A99 K100 E101C78-R97 HydrophobicContact CB-CB 3.96Å; C78-R97 WeakPolarHBondContact O-CD 3.36Å; N85-R97 VanDerWaalsContact ND2-CZ 3.34Å; N85-R97 PolarHBondContact ND2-NH1 3.26Å; N85-R97 PolarHBondContact ND2-NH2 3.34Å; D93-R97 WeakPolarHBondContact O-CG 3.15Å; D93-R97 PolarHBondContact O-N 3.4Å; D93-R97 IonicContact OD1-NE 3.71Å; D93-R97 IonicContact OD1-NH2 3.65Å; D93-R97 PolarHBondContact OD1-NH2 3.22Å; D93-R97 IonicContact OD2-CZ 2.67Å; D93-R97 VanDerWaalsContact OD2-CZ 3.3Å; D93-R97 IonicContact OD2-NE 3.15Å; D93-R97 PolarHBondContact OD2-NE 2.98Å; D93-R97 IonicContact OD2-NH2 2.69Å; D93-R97 PolarHBondContact OD2-NH2 3Å; L94-R97 PolarHBondContact O-N 3.12Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 3.48Å; R97-A99 VanDerWaalsContact C-N 3.33Å; R97-A99 PolarHBondContact O-N 3.36Å; R97-K100 PolarHBondContact O-N 3.02Å; R97-E101 WeakPolarHBondContact O-CB 3.43Å; R97-E101 PolarHBondContact O-N 3.43Å
98F98.7Very high97.9Very high2 Ų249.8 Ų49.81%0.00928%0.278CS..Hα-helixtrans-57.5-46.5175.4-68.4-23.3000112.1M75 C78 V79 L94 A95 K100 E101 Y102 L118 L121 R150 L174 T175M75-F98 HydrophobicContact CB-CE1 4.2Å; M75-F98 HydrophobicContact CE-CB 4.02Å; M75-F98 HydrophobicContact CE-CD1 3.38Å; M75-F98 HydrophobicContact CE-CD2 3.72Å; M75-F98 HydrophobicContact CE-CE1 3.61Å; M75-F98 HydrophobicContact CE-CE2 3.93Å; M75-F98 HydrophobicContact CE-CG 3.44Å; M75-F98 VanDerWaalsContact CE-CG 3.44Å; M75-F98 HydrophobicContact CE-CZ 3.89Å; C78-F98 HydrophobicContact CB-CD1 3.5Å; C78-F98 HydrophobicContact CB-CE1 3.6Å; V79-F98 HydrophobicContact CG2-CE1 4Å; V79-F98 HydrophobicContact CG2-CZ 3.89Å; L94-F98 HydrophobicContact CD1-CD1 4.21Å; L94-F98 HydrophobicContact CD1-CE1 3.61Å; L94-F98 HydrophobicContact CD1-CE2 4.11Å; L94-F98 HydrophobicContact CD1-CZ 3.54Å; L94-F98 HydrophobicContact CD2-CE2 4.26Å; L94-F98 HydrophobicContact CD2-CZ 4.07Å; L94-F98 HydrophobicContact CG-CD2 4.4Å; L94-F98 HydrophobicContact CG-CE1 4.25Å; L94-F98 HydrophobicContact CG-CE2 3.81Å; L94-F98 HydrophobicContact CG-CZ 3.72Å; L94-F98 WeakPolarHBondContact O-CG 3.5Å; L94-F98 PolarHBondContact O-N 3.46Å; A95-F98 PolarHBondContact O-N 3.46Å; F98-K100 PolarHBondContact O-N 3Å; F98-E101 PolarHBondContact O-N 3.44Å; F98-Y102 WeakPolarHBondContact O-CB 3.27Å; F98-Y102 PolarHBondContact O-N 3.49Å; F98-Y102 VanDerWaalsContact O-N 3.1Å; F98-L118 HydrophobicContact CB-CD2 3.68Å; F98-L121 HydrophobicContact CB-CD1 4.45Å; F98-R150 VanDerWaalsContact CZ-NE 3.3Å; F98-L174 HydrophobicContact CD2-CB 4.39Å; F98-L174 HydrophobicContact CD2-CD1 4.26Å; F98-L174 HydrophobicContact CE2-CB 4.15Å; F98-L174 HydrophobicContact CE2-CD1 3.86Å; F98-T175 HydrophobicContact CD2-CG2 4.5Å
99A98.2Very high97.9Very high4 Ų451.2 Ų51.23%0.03329%0.293CS..Hα-helixtrans-61.3-42.7176.600000112.8A95 R96 R97 S103 L121 A122A95-A99 PolarHBondContact O-N 3.38Å; A95-A99 VanDerWaalsContact O-N 3.11Å; R96-A99 PolarHBondContact O-N 2.81Å; R97-A99 VanDerWaalsContact C-N 3.33Å; R97-A99 PolarHBondContact O-N 3.36Å; A99-S103 WeakPolarHBondContact O-CB 3.49Å; A99-S103 PolarHBondContact O-N 3.05Å; A99-S103 PolarHBondContact O-OG 3.43Å; A99-L121 HydrophobicContact CB-CB 3.88Å; A99-A122 HydrophobicContact CB-CB 3.96Å
100K98.4Very high97.9Very high162 Ų16250.4 Ų50.470%0.70429%0.29SS*.Hα-helixtrans-67.3-44.1179.8-176179.9176.7-175.60112R96 R97 F98 S103 A104R96-K100 VanDerWaalsContact O-CB 3.3Å; R96-K100 WeakPolarHBondContact O-CB 3.46Å; R96-K100 PolarHBondContact O-N 2.82Å; R97-K100 PolarHBondContact O-N 3.02Å; F98-K100 PolarHBondContact O-N 3Å; K100-S103 PolarHBondContact O-N 2.79Å; K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 2.53Å
101E98.5Very high97.7Very high33 Ų3351 Ų5115%0.15430%0.303CS..Hα-helixtrans-61.8-49.7179-178.460.6-155.100110.9A74 C78 R97 F98 S103 A104 S105A74-E101 HydrophobicContact CB-CG 4.1Å; C78-E101 WeakPolarHBondContact SG-CB 3.32Å; R97-E101 WeakPolarHBondContact O-CB 3.43Å; R97-E101 PolarHBondContact O-N 3.43Å; F98-E101 PolarHBondContact O-N 3.44Å; E101-S103 VanDerWaalsContact C-N 3.27Å; E101-S103 PolarHBondContact O-N 3.49Å; E101-A104 PolarHBondContact O-N 3.03Å; E101-A104 VanDerWaalsContact O-N 3.07Å; E101-S105 PolarHBondContact O-N 2.85Å
102Y98.3Very high97.3Very high25 Ų2552.7 Ų52.710%0.09832%0.323CS..Hα-helixtrans-58.7-39.9175.5173.9-99.8000112.5F98 A104 S105 P106 Y110 I115 L118 K119F98-Y102 WeakPolarHBondContact O-CB 3.27Å; F98-Y102 PolarHBondContact O-N 3.49Å; F98-Y102 VanDerWaalsContact O-N 3.1Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.03Å; Y102-S105 CarbonylContact O-C 3.02Å; Y102-P106 HydrophobicContact CD2-CB 4.36Å; Y102-P106 HydrophobicContact CE2-CB 3.88Å; Y102-P106 VanDerWaalsContact O-CA 3.25Å; Y102-P106 WeakPolarHBondContact O-CA 3.35Å; Y102-P106 WeakPolarHBondContact O-CB 3.47Å; Y102-P106 WeakPolarHBondContact O-CD 3.24Å; Y102-P106 VanDerWaalsContact O-N 3.12Å; Y102-Y110 HydrophobicContact CD2-CD1 4.42Å; Y102-Y110 AromaticContact CD2-CD2 3.6Å; Y102-Y110 HydrophobicContact CD2-CD2 3.6Å; Y102-Y110 AromaticContact CD2-CE2 3.79Å; Y102-Y110 HydrophobicContact CD2-CE2 3.79Å; Y102-Y110 AromaticContact CD2-CG 3.94Å; Y102-Y110 HydrophobicContact CD2-CG 3.94Å; Y102-Y110 HydrophobicContact CE2-CD2 4.05Å; Y102-Y110 HydrophobicContact CE2-CG 4.38Å; Y102-I115 HydrophobicContact CE1-CG2 4.31Å; Y102-I115 HydrophobicContact CE2-CB 4.4Å; Y102-I115 HydrophobicContact CE2-CD1 4.27Å; Y102-I115 HydrophobicContact CE2-CG1 3.74Å; Y102-I115 HydrophobicContact CE2-CG2 4.2Å; Y102-I115 VanDerWaalsContact OH-CG2 3.25Å; Y102-I115 WeakPolarHBondContact OH-CG2 3.45Å; Y102-L118 HydrophobicContact CD1-CB 3.93Å; Y102-L118 HydrophobicContact CD2-CD1 3.78Å; Y102-L118 HydrophobicContact CG-CB 3.84Å; Y102-L118 HydrophobicContact CG-CD1 3.8Å; Y102-L118 HydrophobicContact CG-CG 4.42Å; Y102-K119 HydrophobicContact CE1-CG 3.93Å
103S97.6Very high96.9Very high84 Ų8451 Ų5159%0.58732%0.32SS*.Hα-helixtrans-66.8-32.7177.8-58.80000112.6A99 K100 E101A99-S103 WeakPolarHBondContact O-CB 3.49Å; A99-S103 PolarHBondContact O-N 3.05Å; A99-S103 PolarHBondContact O-OG 3.43Å; K100-S103 PolarHBondContact O-N 2.79Å; E101-S103 VanDerWaalsContact C-N 3.27Å; E101-S103 PolarHBondContact O-N 3.49Å
104A97.9Very high96.8Very high70 Ų7050.4 Ų50.458%0.57932%0.317SS*.Hα-helixtrans-81.9-32.4-179.600000113K100 E101 Y102K100-A104 WeakPolarHBondContact O-CB 3.48Å; K100-A104 PolarHBondContact O-N 2.53Å; E101-A104 PolarHBondContact O-N 3.03Å; E101-A104 VanDerWaalsContact O-N 3.07Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.03Å
105S96.9Very high96.7Very high41 Ų4152.1 Ų52.129%0.28733%0.326SS..  trans-143.567.8-175.8-670000111.3E101 Y102 G107 R108 Y110E101-S105 PolarHBondContact O-N 2.85Å; Y102-S105 CarbonylContact O-C 3.02Å; S105-G107 PolarHBondContact O-N 3.48Å; S105-R108 WeakPolarHBondContact O-CG 3.35Å; S105-Y110 WeakPolarHBondContact O-CE2 3.41Å
106P96.8Very high96.5Very high70 Ų7058.2 Ų58.246%0.45535%0.354SS..THydrogen-bonded Turntrans-69.8-16.1-174.428-35.8000114Y102 R108Y102-P106 HydrophobicContact CD2-CB 4.36Å; Y102-P106 HydrophobicContact CE2-CB 3.88Å; Y102-P106 VanDerWaalsContact O-CA 3.25Å; Y102-P106 WeakPolarHBondContact O-CA 3.35Å; Y102-P106 WeakPolarHBondContact O-CB 3.47Å; Y102-P106 WeakPolarHBondContact O-CD 3.24Å; Y102-P106 VanDerWaalsContact O-N 3.12Å; P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 3.12Å
107G96.8Very high96.5Very high79 Ų7951 Ų5181%0.81433%0.327SS*.THydrogen-bonded Turntrans-87.618.1-176.500000115.2S105S105-G107 PolarHBondContact O-N 3.48Å
108R97.7Very high96.5Very high40 Ų4048.8 Ų48.815%0.15132%0.318CS..SBendtrans-83.20.9-175.5-72.2-72-176.8176.91115.6Y69 S70 D71 A74 S105 P106 Y110 E339Y69-R108 VanDerWaalsContact CZ-CZ 3.46Å; Y69-R108 WeakPolarHBondContact O-CD 3.37Å; Y69-R108 PolarHBondContact O-NH1 3.34Å; Y69-R108 PolarHBondContact OH-NH2 3Å; S70-R108 CarbonylContact C-O 3.47Å; S70-R108 WeakPolarHBondContact CA-O 3.36Å; S70-R108 WeakPolarHBondContact CB-O 3.45Å; D71-R108 HydrophobicContact CB-CB 4.48Å; D71-R108 PolarHBondContact N-O 2.92Å; A74-R108 HydrophobicContact CB-CG 4.48Å; S105-R108 WeakPolarHBondContact O-CG 3.35Å; P106-R108 VanDerWaalsContact C-N 3.31Å; P106-R108 PolarHBondContact O-N 3.12Å; R108-Y110 HydrophobicContact CB-CD2 4.32Å; R108-Y110 HydrophobicContact CB-CE2 3.8Å; R108-E339 IonicContact CZ-OE1 2.72Å; R108-E339 IonicContact CZ-OE2 3.81Å; R108-E339 IonicContact NH1-OE1 3.35Å; R108-E339 IonicContact NH1-OE2 2.57Å; R108-E339 PolarHBondContact NH1-OE2 3.09Å; R108-E339 IonicContact NH2-OE1 3.93Å; R108-E339 PolarHBondContact NH2-OE1 3.39Å; R108-E339 IonicContact NH2-OE2 3.59Å; R108-E339 PolarHBondContact NH2-OE2 2.93Å; R108-E339 VanDerWaalsContact NH2-OE2 3.16Å
109G96.9Very high96.4Very high46 Ų4654.9 Ų54.947%0.47435%0.345SS..  trans113.1-5.8178.600000115.7D71 G111D71-G109 WeakPolarHBondContact OD1-CA 3.44Å; G109-G111 PolarHBondContact O-N 3.15Å
110Y97.5Very high96.3Very high15 Ų1558.9 Ų58.96%0.05936%0.361CS..  trans-43.9127.5-175.1-60.7-84.5000115.4D71 M75 Y102 S105 R108 L118D71-Y110 HydrophobicContact CB-CD1 3.48Å; D71-Y110 VanDerWaalsContact CB-CD1 3.48Å; D71-Y110 HydrophobicContact CB-CD2 4.18Å; D71-Y110 HydrophobicContact CB-CE1 3.53Å; D71-Y110 HydrophobicContact CB-CE2 4.21Å; D71-Y110 HydrophobicContact CB-CG 3.83Å; D71-Y110 PolarHBondContact OD1-N 3.32Å; D71-Y110 WeakPolarHBondContact OD2-CA 3.32Å; M75-Y110 HydrophobicContact CG-CE1 3.79Å; M75-Y110 HydrophobicContact SD-CD1 4.42Å; M75-Y110 HydrophobicContact SD-CE1 4.05Å; Y102-Y110 HydrophobicContact CD2-CD1 4.42Å; Y102-Y110 AromaticContact CD2-CD2 3.6Å; Y102-Y110 HydrophobicContact CD2-CD2 3.6Å; Y102-Y110 AromaticContact CD2-CE2 3.79Å; Y102-Y110 HydrophobicContact CD2-CE2 3.79Å; Y102-Y110 AromaticContact CD2-CG 3.94Å; Y102-Y110 HydrophobicContact CD2-CG 3.94Å; Y102-Y110 HydrophobicContact CE2-CD2 4.05Å; Y102-Y110 HydrophobicContact CE2-CG 4.38Å; S105-Y110 WeakPolarHBondContact O-CE2 3.41Å; R108-Y110 HydrophobicContact CB-CD2 4.32Å; R108-Y110 HydrophobicContact CB-CE2 3.8Å; Y110-L118 HydrophobicContact CD1-CD1 3.63Å; Y110-L118 HydrophobicContact CE1-CD1 3.89Å; Y110-L118 HydrophobicContact CG-CD1 4.24Å
111G94Very high96.2Very high42 Ų4251.5 Ų51.543%0.43333%0.33SS..  trans-54140173.700000113.8G109 G113 V114 I115G109-G111 PolarHBondContact O-N 3.15Å; G111-G113 VanDerWaalsContact C-N 3.26Å; G111-G113 PolarHBondContact O-N 2.94Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G111-V114 WeakPolarHBondContact O-CG1 3.31Å; G111-V114 PolarHBondContact O-N 2.85Å; G111-I115 PolarHBondContact O-N 3.38Å
112S89.7Confident96Very high108 Ų10852.6 Ų52.676%0.75534%0.344SS*.Hα-helixtrans-55.5-35.4-173.661.40000114.7
113G88.6Confident95.7Very high18 Ų1853.5 Ų53.519%0.18635%0.354CS..Hα-helixtrans-67.4-46.9176.300000112.7G111 I115 Q116 Q136G111-G113 VanDerWaalsContact C-N 3.26Å; G111-G113 PolarHBondContact O-N 2.94Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G113-I115 VanDerWaalsContact C-N 3.28Å; G113-I115 PolarHBondContact O-N 3.39Å; G113-Q116 PolarHBondContact O-N 3.48Å; G113-Q136 PolarHBondContact O-OE1 2.84Å; G113-Q136 VanDerWaalsContact O-OE1 3.11Å
114V95.8Very high95.3Very high16 Ų1655.2 Ų55.210%0.09736%0.364CS..Hα-helixtrans-68.5-28-175.470.20000112.4G111 Q116 V117 L118 T175G111-V114 WeakPolarHBondContact O-CG1 3.31Å; G111-V114 PolarHBondContact O-N 2.85Å; V114-Q116 PolarHBondContact O-N 2.9Å; V114-Q116 VanDerWaalsContact O-N 3.17Å; V114-V117 WeakPolarHBondContact O-CA 3.17Å; V114-V117 WeakPolarHBondContact O-CB 3.34Å; V114-V117 PolarHBondContact O-N 3.48Å; V114-L118 HydrophobicContact CG1-CD1 4.39Å; V114-L118 HydrophobicContact CG2-CD1 4.15Å; V114-L118 HydrophobicContact CG2-CG 4.09Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.37Å; V114-T175 HydrophobicContact CG2-CG2 3.68Å
115I96.8Very high94.9Very high39 Ų3959 Ų5920%0.237%0.369CS..Hα-helixtrans-52.7-39.6174.3-70.5176.2000112.1Y102 G111 G113 V117 L118 K119Y102-I115 HydrophobicContact CE1-CG2 4.31Å; Y102-I115 HydrophobicContact CE2-CB 4.4Å; Y102-I115 HydrophobicContact CE2-CD1 4.27Å; Y102-I115 HydrophobicContact CE2-CG1 3.74Å; Y102-I115 HydrophobicContact CE2-CG2 4.2Å; Y102-I115 VanDerWaalsContact OH-CG2 3.25Å; Y102-I115 WeakPolarHBondContact OH-CG2 3.45Å; G111-I115 PolarHBondContact O-N 3.38Å; G113-I115 VanDerWaalsContact C-N 3.28Å; G113-I115 PolarHBondContact O-N 3.39Å; I115-V117 VanDerWaalsContact C-N 3.33Å; I115-V117 PolarHBondContact O-N 3.02Å; I115-L118 PolarHBondContact O-N 2.9Å; I115-K119 HydrophobicContact CG2-CD 4.1Å; I115-K119 WeakPolarHBondContact O-CG 3.35Å; I115-K119 PolarHBondContact O-N 3.25Å
116Q95.4Very high94.7Very high129 Ų12959.2 Ų59.260%0.60337%0.367SS*.Hα-helixtrans-66.9-37.5178.7-61-173800111.8G113 V114 K120G113-Q116 PolarHBondContact O-N 3.48Å; V114-Q116 PolarHBondContact O-N 2.9Å; V114-Q116 VanDerWaalsContact O-N 3.17Å; Q116-K120 WeakPolarHBondContact O-CG 3.31Å; Q116-K120 PolarHBondContact O-N 2.94Å; Q116-K120 VanDerWaalsContact O-N 3.11Å
117V97.5Very high94.4Very high1 Ų162 Ų621%0.00638%0.382CS..Hα-helixtrans-63.8-51.3174.4173.10000110.5V114 I115 K119 K120 L121 P132 Q136 L174 T175V114-V117 WeakPolarHBondContact O-CA 3.17Å; V114-V117 WeakPolarHBondContact O-CB 3.34Å; V114-V117 PolarHBondContact O-N 3.48Å; I115-V117 VanDerWaalsContact C-N 3.33Å; I115-V117 PolarHBondContact O-N 3.02Å; V117-K119 VanDerWaalsContact C-N 3.26Å; V117-K119 PolarHBondContact O-N 3.34Å; V117-K120 CarbonylContact O-C 3.56Å; V117-K120 WeakPolarHBondContact O-CA 3.17Å; V117-K120 WeakPolarHBondContact O-CB 3.34Å; V117-K120 PolarHBondContact O-N 3.31Å; V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.05Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 3.1Å; V117-P132 HydrophobicContact CG1-CB 4.04Å; V117-P132 HydrophobicContact CG2-CB 4.48Å; V117-Q136 VanDerWaalsContact CG2-CD 3.43Å; V117-Q136 HydrophobicContact CG2-CG 3.53Å; V117-L174 WeakPolarHBondContact CG1-O 3.4Å; V117-T175 HydrophobicContact CG1-CG2 3.97Å
118L97.7Very high94.5Very high0 Ų061.2 Ų61.20%036%0.36CS..Hα-helixtrans-58.9-39.1-177.6-61.5169000111.7M75 F98 Y102 Y110 V114 I115 L121 A122 T175M75-L118 HydrophobicContact CE-CD2 4.12Å; F98-L118 HydrophobicContact CB-CD2 3.68Å; Y102-L118 HydrophobicContact CD1-CB 3.93Å; Y102-L118 HydrophobicContact CD2-CD1 3.78Å; Y102-L118 HydrophobicContact CG-CB 3.84Å; Y102-L118 HydrophobicContact CG-CD1 3.8Å; Y102-L118 HydrophobicContact CG-CG 4.42Å; Y110-L118 HydrophobicContact CD1-CD1 3.63Å; Y110-L118 HydrophobicContact CE1-CD1 3.89Å; Y110-L118 HydrophobicContact CG-CD1 4.24Å; V114-L118 HydrophobicContact CG1-CD1 4.39Å; V114-L118 HydrophobicContact CG2-CD1 4.15Å; V114-L118 HydrophobicContact CG2-CG 4.09Å; V114-L118 WeakPolarHBondContact O-CG 3.26Å; V114-L118 PolarHBondContact O-N 3.37Å; I115-L118 PolarHBondContact O-N 2.9Å; L118-L121 PolarHBondContact O-N 3.1Å; L118-A122 PolarHBondContact O-N 3.38Å; L118-T175 HydrophobicContact CD2-CG2 4.46Å
119K96.4Very high94.5Very high130 Ų13059.7 Ų59.757%0.56535%0.354SS*.Hα-helixtrans-64.5-41.6172.8-72.9174.7179.3175.20112.8Y102 I115 V117 A122Y102-K119 HydrophobicContact CE1-CG 3.93Å; I115-K119 HydrophobicContact CG2-CD 4.1Å; I115-K119 WeakPolarHBondContact O-CG 3.35Å; I115-K119 PolarHBondContact O-N 3.25Å; V117-K119 VanDerWaalsContact C-N 3.26Å; V117-K119 PolarHBondContact O-N 3.34Å; K119-A122 WeakPolarHBondContact O-CB 3.39Å; K119-A122 PolarHBondContact O-N 3.19Å
120K96.4Very high94.5Very high88 Ų8859 Ų5938%0.38334%0.338SS..Hα-helixtrans-67.8-37.7176.6-76.4178.2174.2-174.80112.1Q116 V117 A122 S123 P132 D135Q116-K120 WeakPolarHBondContact O-CG 3.31Å; Q116-K120 PolarHBondContact O-N 2.94Å; Q116-K120 VanDerWaalsContact O-N 3.11Å; V117-K120 CarbonylContact O-C 3.56Å; V117-K120 WeakPolarHBondContact O-CA 3.17Å; V117-K120 WeakPolarHBondContact O-CB 3.34Å; V117-K120 PolarHBondContact O-N 3.31Å; K120-A122 PolarHBondContact O-N 3.49Å; K120-S123 VanDerWaalsContact O-CB 3.27Å; K120-S123 WeakPolarHBondContact O-CB 3.5Å; K120-S123 PolarHBondContact O-N 3.41Å; K120-P132 HydrophobicContact CB-CB 3.77Å; K120-P132 HydrophobicContact CB-CG 3.81Å; K120-P132 HydrophobicContact CD-CB 3.84Å; K120-P132 HydrophobicContact CD-CG 4.32Å; K120-P132 HydrophobicContact CG-CB 4.49Å; K120-D135 IonicContact NZ-OD2 3.16Å; K120-D135 PolarHBondContact NZ-OD2 3.2Å
121L96.6Very high94.5Very high8 Ų861.8 Ų61.84%0.04235%0.351CS..Hα-helixtrans-62.7-22.7176.3-69-178.1000113A95 F98 A99 V117 L118 S123 L126 V129 P132A95-L121 HydrophobicContact CB-CD1 4.34Å; A95-L121 HydrophobicContact CB-CD2 4.09Å; F98-L121 HydrophobicContact CB-CD1 4.45Å; A99-L121 HydrophobicContact CB-CB 3.88Å; V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.05Å; V117-L121 WeakPolarHBondContact O-CG 3.36Å; V117-L121 PolarHBondContact O-N 3.1Å; L118-L121 PolarHBondContact O-N 3.1Å; L121-S123 PolarHBondContact O-N 3.02Å; L121-L126 HydrophobicContact CD2-CD2 3.7Å; L121-V129 HydrophobicContact CD2-CB 4.38Å; L121-V129 WeakPolarHBondContact CD2-O 3.32Å; L121-P132 HydrophobicContact CD2-CG 4.09Å
122A94.1Very high94.7Very high55 Ų5560 Ų6046%0.45533%0.332SS..THydrogen-bonded Turntrans-72.9-13.1174.700000113.5A99 L118 K119 K120 P124A99-A122 HydrophobicContact CB-CB 3.96Å; L118-A122 PolarHBondContact O-N 3.38Å; K119-A122 WeakPolarHBondContact O-CB 3.39Å; K119-A122 PolarHBondContact O-N 3.19Å; K120-A122 PolarHBondContact O-N 3.49Å; A122-P124 WeakPolarHBondContact O-CD 3.31Å
123S93.4Very high95.1Very high45 Ų4554.8 Ų54.832%0.31530%0.296SS..  trans-69.1123.3-177.51740000110.9K120 L121 Q125 L126K120-S123 VanDerWaalsContact O-CB 3.27Å; K120-S123 WeakPolarHBondContact O-CB 3.5Å; K120-S123 PolarHBondContact O-N 3.41Å; L121-S123 PolarHBondContact O-N 3.02Å; S123-Q125 PolarHBondContact O-N 2.94Å; S123-Q125 PolarHBondContact OG-N 3.47Å; S123-Q125 PolarHBondContact OG-OE1 3.4Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 2.71Å; S123-L126 VanDerWaalsContact O-N 3.14Å
124P88.5Confident95.5Very high120 Ų12058.2 Ų58.278%0.77930%0.303SS*.THydrogen-bonded Turntrans-70.9-10.8177.228.1-32.6000113A122A122-P124 WeakPolarHBondContact O-CD 3.31Å
125Q89.9Confident95.5Very high148 Ų14860.9 Ų60.969%0.69232%0.317SS*.THydrogen-bonded Turntrans-89.6-5.5175-60.182.218.900112.9S123 V127S123-Q125 PolarHBondContact O-N 2.94Å; S123-Q125 PolarHBondContact OG-N 3.47Å; S123-Q125 PolarHBondContact OG-OE1 3.4Å; Q125-V127 PolarHBondContact O-N 2.85Å
126L91.4Very high95.4Very high47 Ų4759.8 Ų59.825%0.24631%0.311CS..  trans-72.6114.5-179.7-170.770.6000110.2L121 S123 D128 V129 P132L121-L126 HydrophobicContact CD2-CD2 3.7Å; S123-L126 WeakPolarHBondContact O-CB 3.45Å; S123-L126 PolarHBondContact O-N 2.71Å; S123-L126 VanDerWaalsContact O-N 3.14Å; L126-D128 WeakPolarHBondContact CD1-O 3.39Å; L126-V129 HydrophobicContact CD2-CG1 4.45Å; L126-P132 HydrophobicContact CD1-CG 3.95Å; L126-P132 HydrophobicContact CD2-CG 3.71Å
127V91.9Very high95.3Very high127 Ų12758.1 Ų58.177%0.7730%0.302SS*.  trans-90.4-47.4175.8-178.90000110.5Q92 Q125Q92-V127 PolarHBondContact NE2-O 2.87Å; Q92-V127 VanDerWaalsContact NE2-O 3.1Å; Q125-V127 PolarHBondContact O-N 2.85Å
128D97.3Very high95Very high64 Ų6465.8 Ų65.834%0.34234%0.343SS..  trans-94.9102.4178.7-172.8-22.2000110.6L126 Y130 Q131 R134L126-D128 WeakPolarHBondContact CD1-O 3.39Å; D128-Y130 PolarHBondContact O-N 2.95Å; D128-Y130 WeakPolarHBondContact OD1-CA 3.17Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Y130 PolarHBondContact OD1-N 2.67Å; D128-Q131 HydrophobicContact CB-CB 4.09Å; D128-Q131 WeakPolarHBondContact O-CB 3.36Å; D128-Q131 PolarHBondContact O-N 3.11Å; D128-Q131 PolarHBondContact OD1-N 3.18Å; D128-R134 VanDerWaalsContact CG-NH2 3.34Å; D128-R134 IonicContact OD1-NH2 3.57Å; D128-R134 IonicContact OD2-CZ 3.69Å; D128-R134 IonicContact OD2-NH1 2.74Å; D128-R134 IonicContact OD2-NH2 2.62Å; D128-R134 PolarHBondContact OD2-NH2 3.43Å
129V97.9Very high94.8Very high7 Ų768.4 Ų68.44%0.04237%0.37CS..THydrogen-bonded Turntrans-70-13.6-179-67.80000113.9E91 Q92 A95 L121 L126 L174E91-V129 HydrophobicContact CB-CG2 4.05Å; E91-V129 HydrophobicContact CG-CG2 3.9Å; Q92-V129 VanDerWaalsContact OE1-CG1 3.26Å; A95-V129 HydrophobicContact CB-CB 3.79Å; A95-V129 HydrophobicContact CB-CG1 3.69Å; A95-V129 HydrophobicContact CB-CG2 4.48Å; L121-V129 HydrophobicContact CD2-CB 4.38Å; L121-V129 WeakPolarHBondContact CD2-O 3.32Å; L126-V129 HydrophobicContact CD2-CG1 4.45Å; V129-L174 HydrophobicContact CB-CD2 3.95Å; V129-L174 HydrophobicContact CG2-CD2 3.68Å
130Y98.3Very high94.5Very high31 Ų3168.2 Ų68.212%0.12237%0.366CS..THydrogen-bonded Turntrans-90.5-20.3176.5-59.5-69.8000112.5Y89 E91 D128 A133 R134 L170 M173 L174Y89-Y130 PolarHBondContact OH-OH 3.24Å; Y89-Y130 VanDerWaalsContact OH-OH 3.05Å; E91-Y130 HydrophobicContact CB-CE2 4.32Å; E91-Y130 WeakPolarHBondContact CB-OH 3.2Å; E91-Y130 HydrophobicContact CG-CE2 4.17Å; D128-Y130 PolarHBondContact O-N 2.95Å; D128-Y130 WeakPolarHBondContact OD1-CA 3.17Å; D128-Y130 WeakPolarHBondContact OD1-CB 3.43Å; D128-Y130 PolarHBondContact OD1-N 2.67Å; Y130-A133 PolarHBondContact O-N 3.36Å; Y130-R134 PolarHBondContact O-N 3.37Å; Y130-R134 VanDerWaalsContact O-N 3.17Å; Y130-L170 WeakPolarHBondContact CE1-O 3.34Å; Y130-M173 HydrophobicContact CD1-CB 3.81Å; Y130-M173 HydrophobicContact CE1-CB 3.96Å; Y130-L174 HydrophobicContact CD1-CD2 3.88Å; Y130-L174 HydrophobicContact CD1-CG 4.42Å; Y130-L174 HydrophobicContact CE1-CD2 3.61Å; Y130-L174 HydrophobicContact CE1-CG 3.97Å
131Q97.8Very high94.5Very high74 Ų7464.1 Ų64.135%0.34635%0.348SS..Hα-helixtrans-57.3-43.9-177.5-171.760.742.200113.5D128 A133 R134 D135D128-Q131 HydrophobicContact CB-CB 4.09Å; D128-Q131 WeakPolarHBondContact O-CB 3.36Å; D128-Q131 PolarHBondContact O-N 3.11Å; D128-Q131 PolarHBondContact OD1-N 3.18Å; Q131-A133 VanDerWaalsContact C-N 3.28Å; Q131-A133 PolarHBondContact O-N 3.45Å; Q131-R134 PolarHBondContact O-N 3.31Å; Q131-R134 VanDerWaalsContact O-N 3.14Å; Q131-D135 PolarHBondContact NE2-OD1 3.4Å; Q131-D135 PolarHBondContact O-N 3.12Å
132P97.8Very high94.6Very high4 Ų464.5 Ų64.53%0.02635%0.351CS..Hα-helixtrans-58.9-36.9179.4-30.841.4000114.1V117 K120 L121 L126V117-P132 HydrophobicContact CG1-CB 4.04Å; V117-P132 HydrophobicContact CG2-CB 4.48Å; K120-P132 HydrophobicContact CB-CB 3.77Å; K120-P132 HydrophobicContact CB-CG 3.81Å; K120-P132 HydrophobicContact CD-CB 3.84Å; K120-P132 HydrophobicContact CD-CG 4.32Å; K120-P132 HydrophobicContact CG-CB 4.49Å; L121-P132 HydrophobicContact CD2-CG 4.09Å; L126-P132 HydrophobicContact CD1-CG 3.95Å; L126-P132 HydrophobicContact CD2-CG 3.71Å
133A97.7Very high94.8Very high0 Ų065.9 Ų65.90%035%0.347CS..Hα-helixtrans-68.9-43.2176.400000111.5Y130 Q131 D135 Q136 M173 S177Y130-A133 PolarHBondContact O-N 3.36Å; Q131-A133 VanDerWaalsContact C-N 3.28Å; Q131-A133 PolarHBondContact O-N 3.45Å; A133-D135 VanDerWaalsContact C-N 3.26Å; A133-D135 PolarHBondContact O-N 3.14Å; A133-Q136 WeakPolarHBondContact O-CB 3.48Å; A133-Q136 PolarHBondContact O-N 2.84Å; A133-Q136 VanDerWaalsContact O-N 3.08Å; A133-M173 WeakPolarHBondContact CB-O 3.03Å; A133-S177 PolarHBondContact O-OG 3.05Å; A133-S177 VanDerWaalsContact O-OG 3.13Å
134R97.1Very high95Very high89 Ų8964.3 Ų64.334%0.33634%0.338SS..Hα-helixtrans-59.6-35.5176-71-167.2-63.5-112.6-0.6112.8D128 Y130 Q131 Q136 G139 S177D128-R134 VanDerWaalsContact CG-NH2 3.34Å; D128-R134 IonicContact OD1-NH2 3.57Å; D128-R134 IonicContact OD2-CZ 3.69Å; D128-R134 IonicContact OD2-NH1 2.74Å; D128-R134 IonicContact OD2-NH2 2.62Å; D128-R134 PolarHBondContact OD2-NH2 3.43Å; Y130-R134 PolarHBondContact O-N 3.37Å; Y130-R134 VanDerWaalsContact O-N 3.17Å; Q131-R134 PolarHBondContact O-N 3.31Å; Q131-R134 VanDerWaalsContact O-N 3.14Å; R134-Q136 PolarHBondContact O-N 2.75Å; R134-G139 CarbonylContact O-C 3.55Å; R134-G139 WeakPolarHBondContact O-CA 3.41Å; R134-S177 VanDerWaalsContact CA-OG 3.32Å; R134-S177 WeakPolarHBondContact CA-OG 3.45Å; R134-S177 PolarHBondContact N-OG 2.96Å
135D95.7Very high95.5Very high72 Ų7259.1 Ų59.139%0.38530%0.304SS..THydrogen-bonded Turntrans-67-19.3177.7-66.8-14.9000113.6K120 Q131 A133K120-D135 IonicContact NZ-OD2 3.16Å; K120-D135 PolarHBondContact NZ-OD2 3.2Å; Q131-D135 PolarHBondContact NE2-OD1 3.4Å; Q131-D135 PolarHBondContact O-N 3.12Å; A133-D135 VanDerWaalsContact C-N 3.26Å; A133-D135 PolarHBondContact O-N 3.14Å
136Q94.1Very high95.9Very high16 Ų1652.5 Ų52.58%0.07528%0.276CS..Hα-helixtrans-63.3150.6-177.4-68.7-157.774.500112G113 V117 A133 R134 N138 G139 R140 G141 T175G113-Q136 PolarHBondContact O-OE1 2.84Å; G113-Q136 VanDerWaalsContact O-OE1 3.11Å; V117-Q136 VanDerWaalsContact CG2-CD 3.43Å; V117-Q136 HydrophobicContact CG2-CG 3.53Å; A133-Q136 WeakPolarHBondContact O-CB 3.48Å; A133-Q136 PolarHBondContact O-N 2.84Å; A133-Q136 VanDerWaalsContact O-N 3.08Å; R134-Q136 PolarHBondContact O-N 2.75Å; Q136-N138 VanDerWaalsContact C-N 3.26Å; Q136-N138 PolarHBondContact O-N 3.44Å; Q136-G139 PolarHBondContact O-N 3.04Å; Q136-G139 VanDerWaalsContact O-N 3.12Å; Q136-R140 PolarHBondContact O-N 3.01Å; Q136-R140 VanDerWaalsContact O-N 3.16Å; Q136-G141 PolarHBondContact O-N 3.49Å; Q136-T175 PolarHBondContact NE2-O 2.96Å
137F93.2Very high96.3Very high95 Ų9550.4 Ų50.442%0.41727%0.265SS..Hα-helixtrans53.439.7174.4-57.8-80.8000114.3R140 G141F137-R140 HydrophobicContact CB-CB 4.2Å; F137-R140 WeakPolarHBondContact O-CB 3.38Å; F137-R140 PolarHBondContact O-N 3.34Å; F137-R140 PolarHBondContact O-NE 2.89Å; F137-G141 VanDerWaalsContact CD2-O 3.31Å; F137-G141 WeakPolarHBondContact CD2-O 3.42Å
138N91.9Very high96.6Very high161 Ų16144.3 Ų44.386%0.86123%0.228SC*.Hα-helixtrans62.243.6-177.9-54.6-18.9000112.9Q136 R140Q136-N138 VanDerWaalsContact C-N 3.26Å; Q136-N138 PolarHBondContact O-N 3.44Å; N138-R140 VanDerWaalsContact C-N 3.35Å
139G92.8Very high96.7Very high55 Ų5541.7 Ų41.757%0.56721%0.214SC*.Hα-helixtrans88.8-1.6179.500000114.6R134 Q136R134-G139 CarbonylContact O-C 3.55Å; R134-G139 WeakPolarHBondContact O-CA 3.41Å; Q136-G139 PolarHBondContact O-N 3.04Å; Q136-G139 VanDerWaalsContact O-N 3.12Å
140R91.7Very high96.7Very high127 Ų12741.5 Ų41.548%0.47921%0.212SC..THydrogen-bonded Turntrans-86.3-22.6-177.5-66.9-172.1-71.9168.1-2.5113.4Q136 F137 N138 C178Q136-R140 PolarHBondContact O-N 3.01Å; Q136-R140 VanDerWaalsContact O-N 3.16Å; F137-R140 HydrophobicContact CB-CB 4.2Å; F137-R140 WeakPolarHBondContact O-CB 3.38Å; F137-R140 PolarHBondContact O-N 3.34Å; F137-R140 PolarHBondContact O-NE 2.89Å; N138-R140 VanDerWaalsContact C-N 3.35Å; R140-C178 WeakPolarHBondContact O-CB 3.1Å
141G96.2Very high96.7Very high2 Ų240 Ų402%0.02121%0.207CC..  trans75.9164.3-173.200000114.1Q136 F137 S177Q136-G141 PolarHBondContact O-N 3.49Å; F137-G141 VanDerWaalsContact CD2-O 3.31Å; F137-G141 WeakPolarHBondContact CD2-O 3.42Å; G141-S177 WeakPolarHBondContact CA-OG 3.38Å
142S97.8Very high96.8Very high15 Ų1536.7 Ų36.711%0.10519%0.192CC..  trans-81.5134176-175.20000111.3G144 H176 C178S142-G144 PolarHBondContact OG-N 2.84Å; S142-H176 VanDerWaalsContact CB-CD2 3.42Å; S142-H176 WeakPolarHBondContact CB-CD2 3.36Å; S142-H176 PolarHBondContact OG-CD2 3.27Å; S142-H176 PolarHBondContact OG-NE2 3.43Å; S142-C178 WeakPolarHBondContact O-CB 3.17Å
143F97.7Very high96.8Very high85 Ų8536.5 Ų36.537%0.37319%0.191SC..  trans-98.98.4168.757.5-107.7000113.2C178 L180 L230 A267 A268F143-C178 HydrophobicContact CB-CB 4.38Å; F143-L180 HydrophobicContact CB-CB 3.72Å; F143-L230 HydrophobicContact CD1-CD1 4.19Å; F143-L230 HydrophobicContact CD1-CD2 4.41Å; F143-L230 HydrophobicContact CE1-CD2 4.49Å; F143-A267 HydrophobicContact CD2-CB 3.96Å; F143-A267 HydrophobicContact CE2-CB 4.1Å; F143-A268 PolarHBondContact O-N 3.29Å
144G98.4Very high96.9Very high12 Ų1236.6 Ų36.612%0.12419%0.191CC..BIsolated β-bridgetrans-60.7160.317700000113.2S142 G146 H176 I266S142-G144 PolarHBondContact OG-N 2.84Å; G144-G146 PolarHBondContact O-N 3.48Å; G144-H176 PolarHBondContact O-CD2 2.96Å; G144-H176 PolarHBondContact O-NE2 2.96Å; G144-I266 CarbonylContact C-O 3.59Å; G144-I266 VanDerWaalsContact CA-O 3.25Å; G144-I266 WeakPolarHBondContact CA-O 3.37Å
145N98.8Very high97Very high11 Ų1132.4 Ų32.46%0.05918%0.175CC..G310 helixtrans-78.6-2.6178.461.25.4000114.1G147 A148 M149 I266 A268 S271 D309 T312N145-G147 PolarHBondContact O-N 2.97Å; N145-A148 WeakPolarHBondContact O-CA 3.37Å; N145-A148 WeakPolarHBondContact O-CB 3.27Å; N145-A148 PolarHBondContact O-N 2.8Å; N145-M149 PolarHBondContact O-N 2.95Å; N145-I266 VanDerWaalsContact CG-O 3.26Å; N145-I266 PolarHBondContact N-O 3.23Å; N145-I266 PolarHBondContact OD1-O 3.3Å; N145-A268 HydrophobicContact CB-CB 4.26Å; N145-S271 VanDerWaalsContact CB-OG 3.26Å; N145-S271 WeakPolarHBondContact CB-OG 3.3Å; N145-S271 PolarHBondContact ND2-OG 3.26Å; N145-S271 VanDerWaalsContact ND2-OG 3.16Å; N145-D309 PolarHBondContact ND2-OD2 3.18Å; N145-T312 HydrophobicContact CB-CG2 4.21Å; N145-T312 VanDerWaalsContact ND2-CG2 3.3Å; N145-T312 WeakPolarHBondContact ND2-CG2 3.34Å
146G98.7Very high97.1Very high9 Ų929 Ų299%0.09316%0.157CC..G310 helixtrans-61.3-19.7-178.600000114.3G144 M149 R150G144-G146 PolarHBondContact O-N 3.48Å; G146-M149 VanDerWaalsContact CA-SD 3.5Å; G146-M149 WeakPolarHBondContact O-CG 3.42Å; G146-R150 PolarHBondContact O-NH1 3.19Å
147G98.8Very high97.3Very high2 Ų228.2 Ų28.22%0.02115%0.153CC..G310 helixtrans-69.4-39.616700000113N145 H176 A185N145-G147 PolarHBondContact O-N 2.97Å; G147-H176 PolarHBondContact N-CE1 2.91Å; G147-H176 PolarHBondContact N-ND1 3.49Å; G147-A185 VanDerWaalsContact C-CB 3.48Å; G147-A185 WeakPolarHBondContact O-CB 3.36Å
148A98.9Very high97.5Very high0 Ų024.2 Ų24.20%014%0.136CC..THydrogen-bonded Turntrans-79.1-38.6-175.400000113.4N145 R150 A151 A185 Q188 V272 M316N145-A148 WeakPolarHBondContact O-CA 3.37Å; N145-A148 WeakPolarHBondContact O-CB 3.27Å; N145-A148 PolarHBondContact O-N 2.8Å; A148-R150 PolarHBondContact O-N 3.03Å; A148-A151 VanDerWaalsContact O-CB 3.31Å; A148-A151 WeakPolarHBondContact O-CB 3.39Å; A148-A151 PolarHBondContact O-N 2.76Å; A148-A185 HydrophobicContact CB-CB 4.3Å; A148-Q188 HydrophobicContact CB-CB 4.01Å; A148-Q188 HydrophobicContact CB-CG 4.46Å; A148-Q188 WeakPolarHBondContact O-CG 3.45Å; A148-V272 HydrophobicContact CB-CG2 3.57Å; A148-M316 HydrophobicContact CB-SD 3.63Å
149M98.8Very high97.7Very high9 Ų917.2 Ų17.24%0.04410%0.099CC..THydrogen-bonded Turntrans-51.9-29.3178.281.1-169.1-168.200113.3D71 D72 M75 N145 G146 T312D71-M149 HydrophobicContact CB-CE 4.29Å; D71-M149 WeakPolarHBondContact O-CE 3.49Å; D71-M149 WeakPolarHBondContact OD2-CE 3.25Å; D72-M149 HydrophobicContact CB-SD 4.46Å; D72-M149 WeakPolarHBondContact OD2-CB 3.15Å; M75-M149 HydrophobicContact CB-CE 4.06Å; M75-M149 HydrophobicContact CG-CE 3.92Å; M75-M149 HydrophobicContact SD-CE 3.67Å; N145-M149 PolarHBondContact O-N 2.95Å; G146-M149 VanDerWaalsContact CA-SD 3.5Å; G146-M149 WeakPolarHBondContact O-CG 3.42Å; M149-T312 HydrophobicContact CB-CG2 3.65Å
150R98.8Very high97.9Very high2 Ų218.9 Ų18.91%0.00810%0.095CC..THydrogen-bonded Turntrans-11217.5-178.367.8-176.5-169.6-102.5-15114.6M75 T76 V79 F98 G146 A148 P153 G171 T175M75-R150 HydrophobicContact CB-CB 4.26Å; M75-R150 VanDerWaalsContact CB-CD 3.49Å; M75-R150 HydrophobicContact CB-CG 4.49Å; M75-R150 PolarHBondContact SD-NH1 3.14Å; T76-R150 WeakPolarHBondContact OG1-CA 3.44Å; V79-R150 HydrophobicContact CG2-CB 4.28Å; V79-R150 HydrophobicContact CG2-CG 4.28Å; F98-R150 VanDerWaalsContact CZ-NE 3.3Å; G146-R150 PolarHBondContact O-NH1 3.19Å; A148-R150 PolarHBondContact O-N 3.03Å; R150-P153 WeakPolarHBondContact O-CD 3.38Å; R150-G171 PolarHBondContact NH2-O 3Å; R150-T175 PolarHBondContact NH1-OG1 3.12Å; R150-T175 PolarHBondContact NH2-OG1 3.34Å
151A98.8Very high98.1Very high0 Ų014.1 Ų14.10%08%0.079CC..  trans-88.4-20.3-172.900000114.1A148 P153 F154 A185 Q188 A189A148-A151 VanDerWaalsContact O-CB 3.31Å; A148-A151 WeakPolarHBondContact O-CB 3.39Å; A148-A151 PolarHBondContact O-N 2.76Å; A151-P153 VanDerWaalsContact C-N 3.35Å; A151-F154 HydrophobicContact CB-CD2 4.46Å; A151-F154 WeakPolarHBondContact O-CD2 3.31Å; A151-F154 PolarHBondContact O-N 3.12Å; A151-F154 VanDerWaalsContact O-N 3.12Å; A151-A185 HydrophobicContact CB-CB 4.19Å; A151-A185 WeakPolarHBondContact CB-O 3.47Å; A151-Q188 HydrophobicContact CB-CB 4.4Å; A151-Q188 HydrophobicContact CB-CG 4.31Å; A151-A189 HydrophobicContact CB-CB 4.23Å
152A98.8Very high98.1Very high5 Ų518.4 Ų18.44%0.04111%0.106CC..Hα-helixtrans-52.3-40.9-178.200000114.5F154 A155 L156 V192 A319A152-F154 PolarHBondContact O-N 2.9Å; A152-F154 VanDerWaalsContact O-N 3.14Å; A152-A155 WeakPolarHBondContact O-CB 3.47Å; A152-A155 PolarHBondContact O-N 2.96Å; A152-A155 VanDerWaalsContact O-N 3.09Å; A152-L156 PolarHBondContact O-N 3.02Å; A152-V192 HydrophobicContact CB-CG1 4.32Å; A152-V192 HydrophobicContact CB-CG2 4.08Å; A152-A319 HydrophobicContact CB-CB 3.85Å
153P98.9Very high98.2Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-60.5-25.2180-25.535.7000115L26 T76 V79 V80 L83 R150 A151 L156 A157L26-P153 HydrophobicContact CD2-CG 4.21Å; T76-P153 HydrophobicContact CG2-CG 3.78Å; V79-P153 HydrophobicContact CB-CB 4.41Å; V79-P153 HydrophobicContact CB-CG 4.28Å; V79-P153 HydrophobicContact CG1-CB 3.79Å; V79-P153 HydrophobicContact CG1-CG 4.11Å; V80-P153 HydrophobicContact CG2-CB 3.82Å; V80-P153 HydrophobicContact CG2-CG 3.58Å; L83-P153 HydrophobicContact CD1-CB 3.9Å; R150-P153 WeakPolarHBondContact O-CD 3.38Å; A151-P153 VanDerWaalsContact C-N 3.35Å; P153-L156 CarbonylContact O-C 3.57Å; P153-L156 PolarHBondContact O-N 3.24Å; P153-A157 WeakPolarHBondContact O-CB 3.47Å; P153-A157 PolarHBondContact O-N 3.1Å
154F98.8Very high98.2Very high2 Ų216 Ų161%0.00910%0.096CC..Hα-helixtrans-66-41175.9-61.5-65.6000111.2V79 L83 Y89 L94 A151 A152 L156 A157 F158 F167 A168V79-F154 HydrophobicContact CG1-CD1 4.41Å; V79-F154 HydrophobicContact CG1-CD2 4.49Å; V79-F154 HydrophobicContact CG1-CE1 3.82Å; V79-F154 HydrophobicContact CG1-CE2 3.91Å; V79-F154 HydrophobicContact CG1-CZ 3.53Å; V79-F154 HydrophobicContact CG2-CZ 4.42Å; L83-F154 HydrophobicContact CD1-CD1 4.25Å; L83-F154 HydrophobicContact CD1-CE1 4.45Å; L83-F154 HydrophobicContact CD2-CD1 4.37Å; L83-F154 HydrophobicContact CD2-CE1 4.39Å; Y89-F154 AromaticContact CD2-CE1 3.92Å; Y89-F154 HydrophobicContact CD2-CE1 3.92Å; Y89-F154 HydrophobicContact CE2-CE1 4.17Å; L94-F154 HydrophobicContact CD2-CZ 4.3Å; A151-F154 HydrophobicContact CB-CD2 4.46Å; A151-F154 WeakPolarHBondContact O-CD2 3.31Å; A151-F154 PolarHBondContact O-N 3.12Å; A151-F154 VanDerWaalsContact O-N 3.12Å; A152-F154 PolarHBondContact O-N 2.9Å; A152-F154 VanDerWaalsContact O-N 3.14Å; F154-L156 PolarHBondContact O-N 3.35Å; F154-A157 PolarHBondContact O-N 3.3Å; F154-F158 HydrophobicContact CD1-CE2 4.23Å; F154-F158 VanDerWaalsContact O-CD2 3.28Å; F154-F158 WeakPolarHBondContact O-CD2 3.49Å; F154-F158 PolarHBondContact O-N 3.49Å; F154-F158 VanDerWaalsContact O-N 3.09Å; F154-F167 HydrophobicContact CD1-CB 3.9Å; F154-F167 HydrophobicContact CE1-CB 4.37Å; F154-A168 HydrophobicContact CB-CB 4.34Å; F154-A168 HydrophobicContact CD2-CB 4.03Å; F154-A168 HydrophobicContact CG-CB 4.36Å
155A98.7Very high98.2Very high0 Ų016.3 Ų16.30%010%0.096CC..Hα-helixtrans-65.3-26.9174.100000113.1A152 V164 A189 V192 H193A152-A155 WeakPolarHBondContact O-CB 3.47Å; A152-A155 PolarHBondContact O-N 2.96Å; A152-A155 VanDerWaalsContact O-N 3.09Å; A155-V164 HydrophobicContact CB-CG1 4.35Å; A155-A189 WeakPolarHBondContact CB-O 3.39Å; A155-V192 HydrophobicContact CB-CB 3.95Å; A155-V192 HydrophobicContact CB-CG1 3.71Å; A155-H193 HydrophobicContact CB-CB 3.91Å
156L98.6Very high98.2Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-84-23.8176.8-57.3-178000112.9F22 A25 L26 A152 P153 F154 L196 L351 Y355F22-L156 HydrophobicContact CD1-CB 4.09Å; F22-L156 HydrophobicContact CD1-CD2 3.99Å; F22-L156 HydrophobicContact CD1-CG 4.48Å; F22-L156 HydrophobicContact CD2-CD2 4.44Å; F22-L156 HydrophobicContact CE1-CB 3.96Å; F22-L156 HydrophobicContact CE1-CD2 4.23Å; F22-L156 WeakPolarHBondContact CE1-O 3.47Å; F22-L156 HydrophobicContact CG-CD2 4.11Å; A25-L156 HydrophobicContact CB-CD1 4.4Å; A25-L156 HydrophobicContact CB-CD2 4.19Å; L26-L156 HydrophobicContact CD1-CD1 3.89Å; L26-L156 HydrophobicContact CD2-CD1 3.46Å; L26-L156 VanDerWaalsContact CD2-CD1 3.46Å; L26-L156 HydrophobicContact CG-CD1 3.4Å; L26-L156 VanDerWaalsContact CG-CD1 3.4Å; A152-L156 PolarHBondContact O-N 3.02Å; P153-L156 CarbonylContact O-C 3.57Å; P153-L156 PolarHBondContact O-N 3.24Å; F154-L156 PolarHBondContact O-N 3.35Å; L156-L196 HydrophobicContact CD2-CD1 3.47Å; L156-L196 VanDerWaalsContact CD2-CD1 3.47Å; L156-L196 HydrophobicContact CD2-CD2 3.47Å; L156-L196 VanDerWaalsContact CD2-CD2 3.47Å; L156-L196 HydrophobicContact CD2-CG 4.05Å; L156-L351 HydrophobicContact CB-CB 4.35Å; L156-L351 HydrophobicContact CB-CD1 4.27Å; L156-L351 HydrophobicContact CD1-CD1 4.27Å; L156-Y355 WeakPolarHBondContact O-CB 3.29Å; L156-Y355 VanDerWaalsContact O-CD2 3.31Å; L156-Y355 WeakPolarHBondContact O-CD2 3.34Å
157A98.3Very high98.2Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-91.7-28.4179.900000113.2L83 P153 F154 L351 L354L83-A157 HydrophobicContact CB-CB 4.46Å; L83-A157 HydrophobicContact CD1-CB 3.85Å; L83-A157 HydrophobicContact CD2-CB 4.22Å; L83-A157 HydrophobicContact CG-CB 4.4Å; P153-A157 WeakPolarHBondContact O-CB 3.47Å; P153-A157 PolarHBondContact O-N 3.1Å; F154-A157 PolarHBondContact O-N 3.3Å; A157-L351 HydrophobicContact CB-CD2 4.16Å; A157-L354 HydrophobicContact CB-CD2 4.12Å
158F97.9Very high98.2Very high11 Ų1124 Ų245%0.04812%0.122CC..  trans-116.9122.7-171-60.1-71.9000112.5L83 F154 D163 V164 F167 Y355L83-F158 HydrophobicContact CD2-CE2 3.79Å; L83-F158 HydrophobicContact CD2-CZ 3.97Å; F154-F158 HydrophobicContact CD1-CE2 4.23Å; F154-F158 VanDerWaalsContact O-CD2 3.28Å; F154-F158 WeakPolarHBondContact O-CD2 3.49Å; F154-F158 PolarHBondContact O-N 3.49Å; F154-F158 VanDerWaalsContact O-N 3.09Å; F158-D163 HydrophobicContact CB-CB 3.82Å; F158-D163 HydrophobicContact CD1-CB 4.05Å; F158-D163 HydrophobicContact CG-CB 4.02Å; F158-V164 HydrophobicContact CB-CG2 3.98Å; F158-V164 WeakPolarHBondContact O-CG2 3.45Å; F158-F167 AromaticContact CD1-CD2 3.78Å; F158-F167 HydrophobicContact CD1-CD2 3.78Å; F158-F167 AromaticContact CD1-CE2 3.82Å; F158-F167 HydrophobicContact CD1-CE2 3.82Å; F158-F167 HydrophobicContact CD2-CB 4.22Å; F158-F167 AromaticContact CD2-CD2 3.63Å; F158-F167 HydrophobicContact CD2-CD2 3.63Å; F158-F167 HydrophobicContact CD2-CE2 4.49Å; F158-F167 HydrophobicContact CD2-CG 4.33Å; F158-F167 AromaticContact CE1-CD2 3.51Å; F158-F167 HydrophobicContact CE1-CD2 3.51Å; F158-F167 AromaticContact CE1-CE2 3.43Å; F158-F167 HydrophobicContact CE1-CE2 3.43Å; F158-F167 VanDerWaalsContact CE1-CE2 3.43Å; F158-F167 HydrophobicContact CE1-CZ 4.4Å; F158-F167 HydrophobicContact CE2-CB 3.81Å; F158-F167 AromaticContact CE2-CD2 3.36Å; F158-F167 HydrophobicContact CE2-CD2 3.36Å; F158-F167 HydrophobicContact CE2-CE2 4.17Å; F158-F167 AromaticContact CE2-CG 3.82Å; F158-F167 HydrophobicContact CE2-CG 3.82Å; F158-F167 AromaticContact CG-CD2 3.85Å; F158-F167 HydrophobicContact CG-CD2 3.85Å; F158-F167 HydrophobicContact CG-CE2 4.35Å; F158-F167 HydrophobicContact CZ-CB 4.41Å; F158-F167 AromaticContact CZ-CD2 3.3Å; F158-F167 HydrophobicContact CZ-CD2 3.3Å; F158-F167 AromaticContact CZ-CE2 3.63Å; F158-F167 HydrophobicContact CZ-CE2 3.63Å; F158-F167 AromaticContact CZ-CG 3.93Å; F158-F167 HydrophobicContact CZ-CG 3.93Å; F158-F167 HydrophobicContact CZ-CZ 4.48Å; F158-Y355 WeakPolarHBondContact O-CE2 3.25Å
159P96.6Very high98.2Very high15 Ų1526 Ų2610%0.09713%0.129CC..SBendtrans-79-21.4-176.831.2-36.1000114.6H193 Y355 T358 S359P159-H193 PolarHBondContact O-CE1 3.39Å; P159-Y355 VanDerWaalsContact CA-CZ 3.48Å; P159-Y355 WeakPolarHBondContact CA-OH 3.31Å; P159-Y355 HydrophobicContact CB-CD2 4.3Å; P159-Y355 HydrophobicContact CB-CE1 3.95Å; P159-Y355 HydrophobicContact CB-CE2 3.76Å; P159-T358 HydrophobicContact CG-CG2 4.38Å; P159-S359 WeakPolarHBondContact CB-OG 3.34Å; P159-S359 WeakPolarHBondContact CG-OG 3.34Å
160N95.4Very high98.2Very high90 Ų9027.5 Ų27.548%0.48114%0.137SC..SBendtrans-104.2135.9-175.7-56.4-51.3000110.4P162 D163 V164N160-P162 VanDerWaalsContact C-CD 3.48Å; N160-D163 PolarHBondContact O-N 2.93Å; N160-D163 VanDerWaalsContact O-N 3.14Å; N160-V164 PolarHBondContact O-N 3.39Å; N160-V164 VanDerWaalsContact O-N 3.17Å
161L95.8Very high98.2Very high26 Ų2627.5 Ų27.514%0.13614%0.137CC..Hα-helixtrans-53.9-42.9-179.2-165.4155000113.5D163 V164 T165 L190 E213L161-D163 VanDerWaalsContact C-N 3.32Å; L161-D163 PolarHBondContact O-N 2.84Å; L161-V164 WeakPolarHBondContact O-CB 3.4Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.17Å; L161-T165 PolarHBondContact O-N 2.97Å; L161-T165 PolarHBondContact O-OG1 3.49Å; L161-L190 HydrophobicContact CD1-CD2 4.1Å; L161-L190 HydrophobicContact CD2-CD2 3.71Å; L161-L190 HydrophobicContact CG-CD2 3.62Å; L161-E213 HydrophobicContact CD1-CG 4.19Å; L161-E213 HydrophobicContact CD2-CG 4.48Å; L161-E213 WeakPolarHBondContact CD2-OE2 3.33Å
162P97.8Very high98.2Very high92 Ų9227.5 Ų27.560%0.59714%0.138SC*.Hα-helixtrans-59.3-38.4178-26.636.4000114.2N160 R166N160-P162 VanDerWaalsContact C-CD 3.48Å; P162-R166 VanDerWaalsContact O-CB 3.25Å; P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 PolarHBondContact O-N 3.48Å
163D98.3Very high98.2Very high50 Ų5029.4 Ų29.427%0.26715%0.146SC..Hα-helixtrans-70.8-39.2177.7-70.7-31.2000111F158 N160 L161 R166 F167F158-D163 HydrophobicContact CB-CB 3.82Å; F158-D163 HydrophobicContact CD1-CB 4.05Å; F158-D163 HydrophobicContact CG-CB 4.02Å; N160-D163 PolarHBondContact O-N 2.93Å; N160-D163 VanDerWaalsContact O-N 3.14Å; L161-D163 VanDerWaalsContact C-N 3.32Å; L161-D163 PolarHBondContact O-N 2.84Å; D163-R166 PolarHBondContact O-N 3.38Å; D163-F167 HydrophobicContact CB-CD2 3.96Å; D163-F167 HydrophobicContact CB-CE2 3.89Å; D163-F167 WeakPolarHBondContact O-CB 3.32Å; D163-F167 WeakPolarHBondContact O-CD2 3.41Å; D163-F167 WeakPolarHBondContact O-CG 3.33Å; D163-F167 PolarHBondContact O-N 3.24Å
164V98.7Very high98.2Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-58.4-51.1173.61770000110.2A155 F158 N160 L161 R166 A168 A189 H193A155-V164 HydrophobicContact CB-CG1 4.35Å; F158-V164 HydrophobicContact CB-CG2 3.98Å; F158-V164 WeakPolarHBondContact O-CG2 3.45Å; N160-V164 PolarHBondContact O-N 3.39Å; N160-V164 VanDerWaalsContact O-N 3.17Å; L161-V164 WeakPolarHBondContact O-CB 3.4Å; L161-V164 PolarHBondContact O-N 3.33Å; L161-V164 VanDerWaalsContact O-N 3.17Å; V164-R166 PolarHBondContact O-N 3.42Å; V164-A168 WeakPolarHBondContact O-CB 3.34Å; V164-A168 PolarHBondContact O-N 3.31Å; V164-A189 HydrophobicContact CG1-CB 3.72Å; V164-H193 HydrophobicContact CG1-CB 4.31Å
165T98.7Very high98.2Very high19 Ų1929.3 Ų29.312%0.11715%0.146CC..Hα-helixtrans-57.7-50.6177.4-62.60000111.3L161 R169 V186 V217L161-T165 PolarHBondContact O-N 2.97Å; L161-T165 PolarHBondContact O-OG1 3.49Å; T165-R169 WeakPolarHBondContact O-CB 3.45Å; T165-R169 PolarHBondContact O-N 3.08Å; T165-R169 VanDerWaalsContact O-N 3.1Å; T165-V186 HydrophobicContact CG2-CG1 3.89Å; T165-V186 HydrophobicContact CG2-CG2 4.5Å; T165-V217 HydrophobicContact CG2-CG2 4.03Å
166R98.7Very high98.2Very high152 Ų15229.7 Ų29.757%0.57415%0.148SC*.Hα-helixtrans-61.5-51.7-178178179.3172.6160.9-1.3112.1P162 D163 V164 R169 L170P162-R166 VanDerWaalsContact O-CB 3.25Å; P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 PolarHBondContact O-N 3.48Å; D163-R166 PolarHBondContact O-N 3.38Å; V164-R166 PolarHBondContact O-N 3.42Å; R166-R169 PolarHBondContact O-N 3.04Å; R166-L170 HydrophobicContact CG-CD1 4.01Å; R166-L170 WeakPolarHBondContact O-CG 3.19Å; R166-L170 PolarHBondContact O-N 3.35Å
167F98.8Very high98.1Very high30 Ų3030.7 Ų30.713%0.13215%0.154CC..Hα-helixtrans-79.2-29.1-172.6-62.7-52.6000113Y89 F154 F158 D163 L170 G171Y89-F167 AromaticContact CD1-CD1 3.55Å; Y89-F167 HydrophobicContact CD1-CD1 3.55Å; Y89-F167 AromaticContact CD1-CE1 3.86Å; Y89-F167 HydrophobicContact CD1-CE1 3.86Å; Y89-F167 HydrophobicContact CD2-CB 4.26Å; Y89-F167 HydrophobicContact CD2-CD1 4.11Å; Y89-F167 HydrophobicContact CD2-CG 4.49Å; Y89-F167 HydrophobicContact CE1-CD1 4.4Å; Y89-F167 HydrophobicContact CG-CB 4.33Å; Y89-F167 AromaticContact CG-CD1 3.37Å; Y89-F167 HydrophobicContact CG-CD1 3.37Å; Y89-F167 AromaticContact CG-CE1 3.92Å; Y89-F167 HydrophobicContact CG-CE1 3.92Å; Y89-F167 HydrophobicContact CG-CG 4.07Å; F154-F167 HydrophobicContact CD1-CB 3.9Å; F154-F167 HydrophobicContact CE1-CB 4.37Å; F158-F167 AromaticContact CD1-CD2 3.78Å; F158-F167 HydrophobicContact CD1-CD2 3.78Å; F158-F167 AromaticContact CD1-CE2 3.82Å; F158-F167 HydrophobicContact CD1-CE2 3.82Å; F158-F167 HydrophobicContact CD2-CB 4.22Å; F158-F167 AromaticContact CD2-CD2 3.63Å; F158-F167 HydrophobicContact CD2-CD2 3.63Å; F158-F167 HydrophobicContact CD2-CE2 4.49Å; F158-F167 HydrophobicContact CD2-CG 4.33Å; F158-F167 AromaticContact CE1-CD2 3.51Å; F158-F167 HydrophobicContact CE1-CD2 3.51Å; F158-F167 AromaticContact CE1-CE2 3.43Å; F158-F167 HydrophobicContact CE1-CE2 3.43Å; F158-F167 VanDerWaalsContact CE1-CE2 3.43Å; F158-F167 HydrophobicContact CE1-CZ 4.4Å; F158-F167 HydrophobicContact CE2-CB 3.81Å; F158-F167 AromaticContact CE2-CD2 3.36Å; F158-F167 HydrophobicContact CE2-CD2 3.36Å; F158-F167 HydrophobicContact CE2-CE2 4.17Å; F158-F167 AromaticContact CE2-CG 3.82Å; F158-F167 HydrophobicContact CE2-CG 3.82Å; F158-F167 AromaticContact CG-CD2 3.85Å; F158-F167 HydrophobicContact CG-CD2 3.85Å; F158-F167 HydrophobicContact CG-CE2 4.35Å; F158-F167 HydrophobicContact CZ-CB 4.41Å; F158-F167 AromaticContact CZ-CD2 3.3Å; F158-F167 HydrophobicContact CZ-CD2 3.3Å; F158-F167 AromaticContact CZ-CE2 3.63Å; F158-F167 HydrophobicContact CZ-CE2 3.63Å; F158-F167 AromaticContact CZ-CG 3.93Å; F158-F167 HydrophobicContact CZ-CG 3.93Å; F158-F167 HydrophobicContact CZ-CZ 4.48Å; D163-F167 HydrophobicContact CB-CD2 3.96Å; D163-F167 HydrophobicContact CB-CE2 3.89Å; D163-F167 WeakPolarHBondContact O-CB 3.32Å; D163-F167 WeakPolarHBondContact O-CD2 3.41Å; D163-F167 WeakPolarHBondContact O-CG 3.33Å; D163-F167 PolarHBondContact O-N 3.24Å; F167-L170 HydrophobicContact CD1-CD1 4.27Å; F167-G171 PolarHBondContact O-N 3.01Å
168A98.9Very high98.1Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-62.8-44168.400000111.3F154 V164 G171 A172 V186 A189F154-A168 HydrophobicContact CB-CB 4.34Å; F154-A168 HydrophobicContact CD2-CB 4.03Å; F154-A168 HydrophobicContact CG-CB 4.36Å; V164-A168 WeakPolarHBondContact O-CB 3.34Å; V164-A168 PolarHBondContact O-N 3.31Å; A168-G171 PolarHBondContact O-N 3.14Å; A168-A172 WeakPolarHBondContact O-CB 3.24Å; A168-A172 PolarHBondContact O-N 3.45Å; A168-V186 HydrophobicContact CB-CG2 4.42Å; A168-A189 HydrophobicContact CB-CB 3.58Å
169R98.9Very high98.2Very high43 Ų4330.4 Ų30.416%0.16215%0.154CC..Hα-helixtrans-59.6-54.7174.8-177179.2-63.3159.9-3111.7T165 R166 G171 A172 M173 Y182 V186 E220T165-R169 WeakPolarHBondContact O-CB 3.45Å; T165-R169 PolarHBondContact O-N 3.08Å; T165-R169 VanDerWaalsContact O-N 3.1Å; R166-R169 PolarHBondContact O-N 3.04Å; R169-G171 VanDerWaalsContact C-N 3.34Å; R169-G171 PolarHBondContact O-N 3.13Å; R169-A172 PolarHBondContact O-N 2.75Å; R169-M173 HydrophobicContact CG-CG 4.43Å; R169-M173 HydrophobicContact CG-SD 3.9Å; R169-M173 VanDerWaalsContact O-CG 3.28Å; R169-M173 WeakPolarHBondContact O-CG 3.42Å; R169-M173 PolarHBondContact O-N 2.75Å; R169-Y182 HydrophobicContact CG-CD2 3.77Å; R169-Y182 HydrophobicContact CG-CE2 4.29Å; R169-Y182 HydrophobicContact CG-CG 4.21Å; R169-V186 HydrophobicContact CB-CG2 3.79Å; R169-E220 IonicContact CZ-OE1 3.06Å; R169-E220 IonicContact CZ-OE2 3.56Å; R169-E220 IonicContact NH1-OE1 3.4Å; R169-E220 PolarHBondContact NH1-OE1 3.14Å; R169-E220 IonicContact NH1-OE2 3.78Å; R169-E220 PolarHBondContact NH1-OE2 3.35Å; R169-E220 IonicContact NH2-OE1 3.74Å; R169-E220 PolarHBondContact NH2-OE1 3.32Å; R169-E220 IonicContact NH2-OE2 3.57Å
170L98.8Very high98.3Very high41 Ų4130.1 Ų30.122%0.21515%0.151CC..Hα-helixtrans-62.2-40.4-179.5-67.7173.8000111.7Y89 Y130 R166 F167 A172 M173Y89-L170 HydrophobicContact CD1-CD1 4.41Å; Y89-L170 HydrophobicContact CE1-CB 3.75Å; Y89-L170 HydrophobicContact CE1-CD1 3.97Å; Y89-L170 HydrophobicContact CE2-CB 4.33Å; Y89-L170 WeakPolarHBondContact OH-CB 3.41Å; Y89-L170 PolarHBondContact OH-O 3.13Å; Y89-L170 VanDerWaalsContact OH-O 3.09Å; Y130-L170 WeakPolarHBondContact CE1-O 3.34Å; R166-L170 HydrophobicContact CG-CD1 4.01Å; R166-L170 WeakPolarHBondContact O-CG 3.19Å; R166-L170 PolarHBondContact O-N 3.35Å; F167-L170 HydrophobicContact CD1-CD1 4.27Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.26Å; L170-M173 PolarHBondContact O-N 2.91Å
171G98.8Very high98.4Very high1 Ų125.8 Ų25.81%0.0113%0.128CC..Hα-helixtrans-63.6-36175.400000113.8Y89 R150 F167 A168 R169Y89-G171 PolarHBondContact OH-N 2.71Å; R150-G171 PolarHBondContact NH2-O 3Å; F167-G171 PolarHBondContact O-N 3.01Å; A168-G171 PolarHBondContact O-N 3.14Å; R169-G171 VanDerWaalsContact C-N 3.34Å; R169-G171 PolarHBondContact O-N 3.13Å
172A98.8Very high98.6Very high1 Ų125.1 Ų25.11%0.00812%0.124CC..Hα-helixtrans-71.6-43.2174.800000112A168 R169 L170 L174 T175 H176 A185A168-A172 WeakPolarHBondContact O-CB 3.24Å; A168-A172 PolarHBondContact O-N 3.45Å; R169-A172 PolarHBondContact O-N 2.75Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.26Å; A172-L174 PolarHBondContact O-N 3.26Å; A172-T175 PolarHBondContact O-N 2.91Å; A172-H176 PolarHBondContact O-N 3.28Å; A172-A185 HydrophobicContact CB-CB 3.51Å
173M98.7Very high98.6Very high44 Ų4420.9 Ų20.922%0.21710%0.096CC..Hα-helixtrans-58.9-18.7-178.7-75.1176.272.300114.5Y130 A133 R169 L170 T175 H176 Y182Y130-M173 HydrophobicContact CD1-CB 3.81Å; Y130-M173 HydrophobicContact CE1-CB 3.96Å; A133-M173 WeakPolarHBondContact CB-O 3.03Å; R169-M173 HydrophobicContact CG-CG 4.43Å; R169-M173 HydrophobicContact CG-SD 3.9Å; R169-M173 VanDerWaalsContact O-CG 3.28Å; R169-M173 WeakPolarHBondContact O-CG 3.42Å; R169-M173 PolarHBondContact O-N 2.75Å; L170-M173 PolarHBondContact O-N 2.91Å; M173-T175 PolarHBondContact O-N 3.48Å; M173-H176 WeakPolarHBondContact CA-O 3.31Å; M173-Y182 HydrophobicContact CG-CD1 3.8Å; M173-Y182 HydrophobicContact CG-CE1 4.47Å; M173-Y182 HydrophobicContact CG-CG 4.12Å
174L98.7Very high98.6Very high0 Ų018.5 Ų18.50%08%0.084CC..THydrogen-bonded Turntrans-60.6-23.5171.4-70.2176.5000113.2E91 L94 A95 F98 V117 V129 Y130 A172E91-L174 HydrophobicContact CB-CD2 4.45Å; L94-L174 HydrophobicContact CB-CD1 3.89Å; L94-L174 HydrophobicContact CD2-CD1 3.66Å; L94-L174 HydrophobicContact CG-CD1 3.61Å; A95-L174 HydrophobicContact CB-CD1 4.49Å; A95-L174 HydrophobicContact CB-CD2 4.06Å; F98-L174 HydrophobicContact CD2-CB 4.39Å; F98-L174 HydrophobicContact CD2-CD1 4.26Å; F98-L174 HydrophobicContact CE2-CB 4.15Å; F98-L174 HydrophobicContact CE2-CD1 3.86Å; V117-L174 WeakPolarHBondContact CG1-O 3.4Å; V129-L174 HydrophobicContact CB-CD2 3.95Å; V129-L174 HydrophobicContact CG2-CD2 3.68Å; Y130-L174 HydrophobicContact CD1-CD2 3.88Å; Y130-L174 HydrophobicContact CD1-CG 4.42Å; Y130-L174 HydrophobicContact CE1-CD2 3.61Å; Y130-L174 HydrophobicContact CE1-CG 3.97Å; A172-L174 PolarHBondContact O-N 3.26Å
175T98.6Very high98.7Very high0 Ų018.5 Ų18.50%08%0.084CC..THydrogen-bonded Turntrans-133-23.5175.163.20000114.3M75 F98 V114 V117 L118 Q136 R150 A172 M173M75-T175 HydrophobicContact CE-CG2 4.35Å; F98-T175 HydrophobicContact CD2-CG2 4.5Å; V114-T175 HydrophobicContact CG2-CG2 3.68Å; V117-T175 HydrophobicContact CG1-CG2 3.97Å; L118-T175 HydrophobicContact CD2-CG2 4.46Å; Q136-T175 PolarHBondContact NE2-O 2.96Å; R150-T175 PolarHBondContact NH1-OG1 3.12Å; R150-T175 PolarHBondContact NH2-OG1 3.34Å; A172-T175 PolarHBondContact O-N 2.91Å; M173-T175 PolarHBondContact O-N 3.48Å
176H98.5Very high98.7Very high9 Ų917.6 Ų17.64%0.0428%0.078CC..  trans-124.590.9-175.4-6873.4000110.1S142 G144 G147 A172 M173S142-H176 VanDerWaalsContact CB-CD2 3.42Å; S142-H176 WeakPolarHBondContact CB-CD2 3.36Å; S142-H176 PolarHBondContact OG-CD2 3.27Å; S142-H176 PolarHBondContact OG-NE2 3.43Å; G144-H176 PolarHBondContact O-CD2 2.96Å; G144-H176 PolarHBondContact O-NE2 2.96Å; G147-H176 PolarHBondContact N-CE1 2.91Å; G147-H176 PolarHBondContact N-ND1 3.49Å; A172-H176 PolarHBondContact O-N 3.28Å; M173-H176 WeakPolarHBondContact CA-O 3.31Å
177S97.6Very high98.7Very high20 Ų2010.3 Ų10.314%0.145%0.051CC..  trans-90.3-4.6-177.766.40000114.6A133 R134 G141 Y182A133-S177 PolarHBondContact O-OG 3.05Å; A133-S177 VanDerWaalsContact O-OG 3.13Å; R134-S177 VanDerWaalsContact CA-OG 3.32Å; R134-S177 WeakPolarHBondContact CA-OG 3.45Å; R134-S177 PolarHBondContact N-OG 2.96Å; G141-S177 WeakPolarHBondContact CA-OG 3.38Å; S177-Y182 WeakPolarHBondContact O-CE1 3.38Å
178C98.3Very high98.7Very high3 Ų39 Ų92%0.025%0.045CC..SBendtrans-80.2139.3170.1179.30000108.9R140 S142 F143 L180 G181 Y182 D226R140-C178 WeakPolarHBondContact O-CB 3.1Å; S142-C178 WeakPolarHBondContact O-CB 3.17Å; F143-C178 HydrophobicContact CB-CB 4.38Å; C178-L180 VanDerWaalsContact C-N 3.26Å; C178-L180 PolarHBondContact O-N 3.01Å; C178-G181 WeakPolarHBondContact O-CA 3.01Å; C178-G181 PolarHBondContact O-N 3.16Å; C178-Y182 VanDerWaalsContact C-CD1 3.46Å; C178-Y182 VanDerWaalsContact C-CE1 3.48Å; C178-Y182 WeakPolarHBondContact O-CD1 3.28Å; C178-Y182 PolarHBondContact O-N 2.85Å; C178-D226 PolarHBondContact SG-OD2 2.64Å
179S98.5Very high98.7Very high2 Ų29 Ų91%0.0145%0.045CC..Hα-helixtrans-57.1-35.7178.764.10000113.6G181 Y182 N183 D226S179-G181 PolarHBondContact O-N 3.3Å; S179-Y182 VanDerWaalsContact CB-CZ 3.41Å; S179-Y182 VanDerWaalsContact CB-OH 3.24Å; S179-Y182 WeakPolarHBondContact CB-OH 3.45Å; S179-Y182 VanDerWaalsContact N-CE1 3.28Å; S179-Y182 PolarHBondContact O-N 2.82Å; S179-N183 WeakPolarHBondContact O-CA 3.37Å; S179-N183 WeakPolarHBondContact O-CB 3.05Å; S179-N183 VanDerWaalsContact O-CG 3.29Å; S179-N183 PolarHBondContact O-N 3.21Å; S179-D226 WeakPolarHBondContact CB-OD2 3.34Å; S179-D226 PolarHBondContact N-OD2 3.34Å; S179-D226 WeakPolarHBondContact OG-CB 3.43Å; S179-D226 PolarHBondContact OG-OD2 3.05Å
180L98.6Very high98.7Very high9 Ų97 Ų75%0.0474%0.037CC..Hα-helixtrans-61.2-35174.6-80.667.4000111.4F143 C178 G184 D226 L230 E232 F237 A268 L269F143-L180 HydrophobicContact CB-CB 3.72Å; C178-L180 VanDerWaalsContact C-N 3.26Å; C178-L180 PolarHBondContact O-N 3.01Å; L180-G184 PolarHBondContact O-N 2.76Å; L180-D226 HydrophobicContact CD1-CB 4.31Å; L180-L230 HydrophobicContact CD1-CD1 3.84Å; L180-L230 HydrophobicContact CD2-CD1 3.54Å; L180-L230 HydrophobicContact CG-CD1 4.18Å; L180-E232 HydrophobicContact CD2-CG 3.93Å; L180-F237 WeakPolarHBondContact O-CE2 3.47Å; L180-F237 VanDerWaalsContact O-CZ 3.24Å; L180-F237 WeakPolarHBondContact O-CZ 3.4Å; L180-A268 WeakPolarHBondContact O-CB 3.36Å; L180-L269 HydrophobicContact CD2-CD2 4.4Å
181G98.6Very high98.7Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-72.9-53.2176.300000112.5C178 S179 G184 A185C178-G181 WeakPolarHBondContact O-CA 3.01Å; C178-G181 PolarHBondContact O-N 3.16Å; S179-G181 PolarHBondContact O-N 3.3Å; G181-G184 PolarHBondContact O-N 3Å; G181-A185 PolarHBondContact O-N 3.36Å
182Y98.8Very high98.7Very high12 Ų125 Ų55%0.0473%0.026CC..Hα-helixtrans-76.3-29.2-176.564.2-113.7000114R169 M173 S177 C178 S179 G184 A185 V186R169-Y182 HydrophobicContact CG-CD2 3.77Å; R169-Y182 HydrophobicContact CG-CE2 4.29Å; R169-Y182 HydrophobicContact CG-CG 4.21Å; M173-Y182 HydrophobicContact CG-CD1 3.8Å; M173-Y182 HydrophobicContact CG-CE1 4.47Å; M173-Y182 HydrophobicContact CG-CG 4.12Å; S177-Y182 WeakPolarHBondContact O-CE1 3.38Å; C178-Y182 VanDerWaalsContact C-CD1 3.46Å; C178-Y182 VanDerWaalsContact C-CE1 3.48Å; C178-Y182 WeakPolarHBondContact O-CD1 3.28Å; C178-Y182 PolarHBondContact O-N 2.85Å; S179-Y182 VanDerWaalsContact CB-CZ 3.41Å; S179-Y182 VanDerWaalsContact CB-OH 3.24Å; S179-Y182 WeakPolarHBondContact CB-OH 3.45Å; S179-Y182 VanDerWaalsContact N-CE1 3.28Å; S179-Y182 PolarHBondContact O-N 2.82Å; Y182-G184 VanDerWaalsContact C-N 3.34Å; Y182-A185 WeakPolarHBondContact O-CB 3.41Å; Y182-A185 PolarHBondContact O-N 3.39Å; Y182-V186 WeakPolarHBondContact O-CG2 3.48Å; Y182-V186 PolarHBondContact O-N 3.49Å
183N98.9Very high98.7Very high2 Ų25.6 Ų5.61%0.0113%0.029CC..Hα-helixtrans-71.9-30.9173.9-71.9-12.5000111.5S179 A185 V186 L187 M214 V217 F237S179-N183 WeakPolarHBondContact O-CA 3.37Å; S179-N183 WeakPolarHBondContact O-CB 3.05Å; S179-N183 VanDerWaalsContact O-CG 3.29Å; S179-N183 PolarHBondContact O-N 3.21Å; N183-A185 VanDerWaalsContact C-N 3.3Å; N183-A185 PolarHBondContact O-N 3.43Å; N183-V186 PolarHBondContact O-N 3.25Å; N183-L187 WeakPolarHBondContact O-CB 3.36Å; N183-L187 PolarHBondContact O-N 3.14Å; N183-M214 HydrophobicContact CB-CE 3.98Å; N183-V217 HydrophobicContact CB-CG1 4.23Å; N183-V217 VanDerWaalsContact CG-CG1 3.5Å; N183-V217 WeakPolarHBondContact OD1-CG1 3.34Å; N183-F237 HydrophobicContact CB-CD2 3.97Å; N183-F237 HydrophobicContact CB-CE2 3.8Å
184G98.9Very high98.7Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-62.5-38.8168.300000112.2L180 G181 Y182 L187 Q188L180-G184 PolarHBondContact O-N 2.76Å; G181-G184 PolarHBondContact O-N 3Å; Y182-G184 VanDerWaalsContact C-N 3.34Å; G184-L187 PolarHBondContact O-N 2.99Å; G184-Q188 WeakPolarHBondContact O-CB 3.41Å; G184-Q188 PolarHBondContact O-N 3.48Å
185A98.9Very high98.7Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-67.2-39.6174.600000113G147 A148 A151 A172 G181 Y182 N183 Q188 A189G147-A185 VanDerWaalsContact C-CB 3.48Å; G147-A185 WeakPolarHBondContact O-CB 3.36Å; A148-A185 HydrophobicContact CB-CB 4.3Å; A151-A185 HydrophobicContact CB-CB 4.19Å; A151-A185 WeakPolarHBondContact CB-O 3.47Å; A172-A185 HydrophobicContact CB-CB 3.51Å; G181-A185 PolarHBondContact O-N 3.36Å; Y182-A185 WeakPolarHBondContact O-CB 3.41Å; Y182-A185 PolarHBondContact O-N 3.39Å; N183-A185 VanDerWaalsContact C-N 3.3Å; N183-A185 PolarHBondContact O-N 3.43Å; A185-Q188 PolarHBondContact O-N 3Å; A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.29Å
186V98.9Very high98.7Very high0 Ų04.4 Ų4.40%02%0.024CC..Hα-helixtrans-59.6-50.7171.5169.80000110.3T165 A168 R169 Y182 N183 Q188 A189 L190 M214 V217T165-V186 HydrophobicContact CG2-CG1 3.89Å; T165-V186 HydrophobicContact CG2-CG2 4.5Å; A168-V186 HydrophobicContact CB-CG2 4.42Å; R169-V186 HydrophobicContact CB-CG2 3.79Å; Y182-V186 WeakPolarHBondContact O-CG2 3.48Å; Y182-V186 PolarHBondContact O-N 3.49Å; N183-V186 PolarHBondContact O-N 3.25Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 3.36Å; V186-A189 PolarHBondContact O-N 2.9Å; V186-L190 HydrophobicContact CG1-CD1 3.77Å; V186-L190 HydrophobicContact CG1-CG 4.19Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 VanDerWaalsContact O-CG 3.27Å; V186-L190 WeakPolarHBondContact O-CG 3.22Å; V186-L190 PolarHBondContact O-N 3.03Å; V186-M214 HydrophobicContact CG1-SD 4.38Å; V186-V217 HydrophobicContact CG1-CG1 4.4Å; V186-V217 HydrophobicContact CG1-CG2 4.09Å
187L98.9Very high98.6Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-57.2-46.7178.8175.255.4000111.8N183 G184 A189 L190 A191 L210 M214 F237 L241 V272 I276N183-L187 WeakPolarHBondContact O-CB 3.36Å; N183-L187 PolarHBondContact O-N 3.14Å; G184-L187 PolarHBondContact O-N 2.99Å; L187-A189 PolarHBondContact O-N 2.66Å; L187-L190 PolarHBondContact O-N 2.62Å; L187-A191 WeakPolarHBondContact O-CB 3.26Å; L187-A191 PolarHBondContact O-N 2.74Å; L187-L210 HydrophobicContact CD1-CB 4.32Å; L187-L210 HydrophobicContact CD1-CD1 4.32Å; L187-L210 HydrophobicContact CD1-CD2 4.09Å; L187-L210 HydrophobicContact CD1-CG 4.49Å; L187-M214 HydrophobicContact CB-CE 4.24Å; L187-M214 HydrophobicContact CB-CG 4.42Å; L187-M214 HydrophobicContact CB-SD 3.77Å; L187-M214 HydrophobicContact CD1-CG 3.81Å; L187-M214 HydrophobicContact CD1-SD 4.17Å; L187-M214 HydrophobicContact CG-SD 4.47Å; L187-F237 HydrophobicContact CD2-CB 4.21Å; L187-F237 HydrophobicContact CD2-CD1 3.53Å; L187-F237 HydrophobicContact CD2-CE1 4.24Å; L187-F237 HydrophobicContact CD2-CG 4.16Å; L187-L241 HydrophobicContact CD1-CD1 3.91Å; L187-L241 HydrophobicContact CD1-CD2 4.24Å; L187-L241 HydrophobicContact CD2-CD1 4.33Å; L187-L241 HydrophobicContact CD2-CD2 4.28Å; L187-L241 HydrophobicContact CD2-CG 4.43Å; L187-V272 HydrophobicContact CB-CG1 4.08Å; L187-V272 HydrophobicContact CD2-CB 4.48Å; L187-V272 HydrophobicContact CD2-CG1 3.77Å; L187-V272 HydrophobicContact CG-CG1 3.73Å; L187-I276 HydrophobicContact CD1-CD1 3.8Å; L187-I276 HydrophobicContact CD2-CD1 4.02Å; L187-I276 HydrophobicContact CG-CD1 3.76Å
188Q98.9Very high98.6Very high2 Ų27 Ų71%0.0094%0.037CC..Hα-helixtrans-61.1-45.1177.3176.756.718.100111.8A148 A151 G184 A185 V186 L190 A191 V192 V272 M316A148-Q188 HydrophobicContact CB-CB 4.01Å; A148-Q188 HydrophobicContact CB-CG 4.46Å; A148-Q188 WeakPolarHBondContact O-CG 3.45Å; A151-Q188 HydrophobicContact CB-CB 4.4Å; A151-Q188 HydrophobicContact CB-CG 4.31Å; G184-Q188 WeakPolarHBondContact O-CB 3.41Å; G184-Q188 PolarHBondContact O-N 3.48Å; A185-Q188 PolarHBondContact O-N 3Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 3.36Å; Q188-L190 PolarHBondContact O-N 3.01Å; Q188-A191 PolarHBondContact O-N 3.19Å; Q188-V192 WeakPolarHBondContact O-CG2 3.27Å; Q188-V192 PolarHBondContact O-N 2.98Å; Q188-V272 HydrophobicContact CB-CG1 4Å; Q188-M316 HydrophobicContact CG-CB 4.48Å; Q188-M316 HydrophobicContact CG-CG 4.09Å; Q188-M316 HydrophobicContact CG-SD 4.13Å; Q188-M316 PolarHBondContact NE2-O 3.41Å
189A98.9Very high98.5Very high0 Ų08.3 Ų8.30%05%0.048CC..Hα-helixtrans-64.2-39.4177.200000112.2A151 A155 V164 A168 A185 V186 L187 V192 H193A151-A189 HydrophobicContact CB-CB 4.23Å; A155-A189 WeakPolarHBondContact CB-O 3.39Å; V164-A189 HydrophobicContact CG1-CB 3.72Å; A168-A189 HydrophobicContact CB-CB 3.58Å; A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.29Å; V186-A189 PolarHBondContact O-N 2.9Å; L187-A189 PolarHBondContact O-N 2.66Å; A189-V192 PolarHBondContact O-N 3.41Å; A189-H193 VanDerWaalsContact O-CB 3.3Å; A189-H193 WeakPolarHBondContact O-CB 3.5Å; A189-H193 PolarHBondContact O-N 2.9Å
190L98.9Very high98.4Very high0 Ų08.4 Ų8.40%05%0.048CC..Hα-helixtrans-64-42.8175.1-71.1174.7000111.8L161 V186 L187 Q188 V192 H193 L194 L210 E213 M214L161-L190 HydrophobicContact CD1-CD2 4.1Å; L161-L190 HydrophobicContact CD2-CD2 3.71Å; L161-L190 HydrophobicContact CG-CD2 3.62Å; V186-L190 HydrophobicContact CG1-CD1 3.77Å; V186-L190 HydrophobicContact CG1-CG 4.19Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 VanDerWaalsContact O-CG 3.27Å; V186-L190 WeakPolarHBondContact O-CG 3.22Å; V186-L190 PolarHBondContact O-N 3.03Å; L187-L190 PolarHBondContact O-N 2.62Å; Q188-L190 PolarHBondContact O-N 3.01Å; L190-V192 PolarHBondContact O-N 3.24Å; L190-H193 PolarHBondContact O-N 3.35Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 WeakPolarHBondContact O-CG 3.3Å; L190-L194 PolarHBondContact O-N 2.77Å; L190-L210 HydrophobicContact CB-CD2 3.79Å; L190-E213 HydrophobicContact CD1-CB 3.78Å; L190-E213 HydrophobicContact CD1-CG 4.48Å; L190-M214 HydrophobicContact CD1-SD 4.22Å
191A98.9Very high98.3Very high0 Ų012 Ų120%07%0.074CC..Hα-helixtrans-61.2-44.4176.900000111.6L187 Q188 S195 F206 L210 I276 I320L187-A191 WeakPolarHBondContact O-CB 3.26Å; L187-A191 PolarHBondContact O-N 2.74Å; Q188-A191 PolarHBondContact O-N 3.19Å; A191-S195 VanDerWaalsContact O-CB 3.25Å; A191-S195 WeakPolarHBondContact O-CB 3.34Å; A191-S195 PolarHBondContact O-N 3.31Å; A191-F206 HydrophobicContact CB-CZ 4.04Å; A191-F206 WeakPolarHBondContact O-CE2 3.42Å; A191-L210 HydrophobicContact CB-CD1 4.16Å; A191-L210 HydrophobicContact CB-CD2 4.38Å; A191-I276 HydrophobicContact CB-CD1 4.09Å; A191-I276 HydrophobicContact CB-CG1 4.02Å; A191-I320 HydrophobicContact CB-CD1 3.73Å; A191-I320 HydrophobicContact CB-CG1 3.98Å
192V98.9Very high98.2Very high0 Ų016.1 Ų16.10%010%0.096CC..Hα-helixtrans-63.2-47.5173.7175.60000110.3A152 A155 Q188 A189 L190 L194 S195 L196 A319 I320 A323A152-V192 HydrophobicContact CB-CG1 4.32Å; A152-V192 HydrophobicContact CB-CG2 4.08Å; A155-V192 HydrophobicContact CB-CB 3.95Å; A155-V192 HydrophobicContact CB-CG1 3.71Å; Q188-V192 WeakPolarHBondContact O-CG2 3.27Å; Q188-V192 PolarHBondContact O-N 2.98Å; A189-V192 PolarHBondContact O-N 3.41Å; L190-V192 PolarHBondContact O-N 3.24Å; V192-L194 PolarHBondContact O-N 3Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 3.38Å; V192-L196 HydrophobicContact CG1-CD1 3.45Å; V192-L196 VanDerWaalsContact CG1-CD1 3.45Å; V192-L196 WeakPolarHBondContact O-CD1 3.02Å; V192-L196 PolarHBondContact O-N 3.2Å; V192-A319 HydrophobicContact CG2-CB 3.98Å; V192-I320 HydrophobicContact CG2-CG1 3.8Å; V192-A323 HydrophobicContact CG1-CB 4.47Å
193H98.8Very high98.1Very high14 Ų1417.5 Ų17.57%0.06511%0.106CC..Hα-helixtrans-56.4-50.9179.5176.184.8000112.4A155 P159 V164 A189 L190 S195 L196 Q197A155-H193 HydrophobicContact CB-CB 3.91Å; P159-H193 PolarHBondContact O-CE1 3.39Å; V164-H193 HydrophobicContact CG1-CB 4.31Å; A189-H193 VanDerWaalsContact O-CB 3.3Å; A189-H193 WeakPolarHBondContact O-CB 3.5Å; A189-H193 PolarHBondContact O-N 2.9Å; L190-H193 PolarHBondContact O-N 3.35Å; H193-S195 VanDerWaalsContact C-N 3.32Å; H193-S195 PolarHBondContact O-N 2.98Å; H193-L196 WeakPolarHBondContact O-CB 3.44Å; H193-L196 PolarHBondContact O-N 3.28Å; H193-Q197 WeakPolarHBondContact O-CG 3.49Å; H193-Q197 PolarHBondContact O-N 3.36Å; H193-Q197 VanDerWaalsContact O-N 3.16Å
194L98.8Very high98.1Very high19 Ų1921.4 Ų21.410%0.09913%0.125CC..Hα-helixtrans-64.2-38.2178.3-67.5178.3000111.8L190 V192 Q197 G198 A199 F206 R209 L210L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 WeakPolarHBondContact O-CG 3.3Å; L190-L194 PolarHBondContact O-N 2.77Å; V192-L194 PolarHBondContact O-N 3Å; L194-Q197 PolarHBondContact O-N 2.86Å; L194-G198 PolarHBondContact O-N 3.23Å; L194-A199 HydrophobicContact CB-CB 4.04Å; L194-A199 WeakPolarHBondContact O-CB 3.49Å; L194-A199 PolarHBondContact O-N 2.88Å; L194-F206 HydrophobicContact CB-CD2 3.78Å; L194-F206 HydrophobicContact CB-CE2 3.63Å; L194-F206 HydrophobicContact CD1-CD2 4.35Å; L194-F206 HydrophobicContact CD1-CE2 4.43Å; L194-R209 HydrophobicContact CD1-CB 4.01Å; L194-R209 HydrophobicContact CD1-CG 3.74Å; L194-R209 HydrophobicContact CD2-CG 4.03Å; L194-L210 HydrophobicContact CD1-CD2 3.61Å; L194-L210 HydrophobicContact CD1-CG 3.92Å
195S98.6Very high98Very high0 Ų027.5 Ų27.50%015%0.153CC..Hα-helixtrans-61-43.6174.6-179.10000111.9A191 V192 H193 Q197 G198 L200 I320 A323 H324A191-S195 VanDerWaalsContact O-CB 3.25Å; A191-S195 WeakPolarHBondContact O-CB 3.34Å; A191-S195 PolarHBondContact O-N 3.31Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 3.38Å; H193-S195 VanDerWaalsContact C-N 3.32Å; H193-S195 PolarHBondContact O-N 2.98Å; S195-Q197 PolarHBondContact O-N 3.45Å; S195-G198 PolarHBondContact O-N 2.98Å; S195-L200 WeakPolarHBondContact OG-CD1 3.46Å; S195-I320 PolarHBondContact OG-O 3.15Å; S195-A323 WeakPolarHBondContact OG-CB 3.5Å; S195-H324 WeakPolarHBondContact OG-CA 3.42Å; S195-H324 WeakPolarHBondContact OG-CB 3.41Å; S195-H324 PolarHBondContact OG-N 2.9Å; S195-H324 VanDerWaalsContact OG-N 3.11Å
196L97.9Very high98Very high1 Ų127.6 Ų27.61%0.00515%0.153CC..Hα-helixtrans-58.1-35.6174-99.897.8000112.6A17 R21 F22 L156 V192 H193 G198 A323A17-L196 PolarHBondContact N-O 3.4Å; R21-L196 VanDerWaalsContact CD-O 3.26Å; R21-L196 WeakPolarHBondContact CD-O 3.49Å; F22-L196 HydrophobicContact CD2-CD2 3.64Å; F22-L196 HydrophobicContact CE2-CD2 3.28Å; F22-L196 HydrophobicContact CG-CD2 4.46Å; F22-L196 HydrophobicContact CZ-CD2 3.82Å; L156-L196 HydrophobicContact CD2-CD1 3.47Å; L156-L196 VanDerWaalsContact CD2-CD1 3.47Å; L156-L196 HydrophobicContact CD2-CD2 3.47Å; L156-L196 VanDerWaalsContact CD2-CD2 3.47Å; L156-L196 HydrophobicContact CD2-CG 4.05Å; V192-L196 HydrophobicContact CG1-CD1 3.45Å; V192-L196 VanDerWaalsContact CG1-CD1 3.45Å; V192-L196 WeakPolarHBondContact O-CD1 3.02Å; V192-L196 PolarHBondContact O-N 3.2Å; H193-L196 WeakPolarHBondContact O-CB 3.44Å; H193-L196 PolarHBondContact O-N 3.28Å; L196-G198 PolarHBondContact O-N 3.38Å; L196-A323 HydrophobicContact CD1-CB 3.48Å; L196-A323 VanDerWaalsContact CD1-CB 3.48Å; L196-A323 HydrophobicContact CG-CB 4.07Å
197Q97.4Very high98Very high71 Ų7127.6 Ų27.633%0.33215%0.153SC..THydrogen-bonded Turntrans-78.7-0176.5-58.3-50.5-45.200113.5H193 L194 S195 Y355H193-Q197 WeakPolarHBondContact O-CG 3.49Å; H193-Q197 PolarHBondContact O-N 3.36Å; H193-Q197 VanDerWaalsContact O-N 3.16Å; L194-Q197 PolarHBondContact O-N 2.86Å; S195-Q197 PolarHBondContact O-N 3.45Å; Q197-Y355 PolarHBondContact NE2-OH 2.92Å
198G96.6Very high98Very high13 Ų1329.9 Ų29.913%0.13417%0.17CC..THydrogen-bonded Turntrans82.613.1179.100000114.6L194 S195 L196 L200 S201L194-G198 PolarHBondContact O-N 3.23Å; S195-G198 PolarHBondContact O-N 2.98Å; L196-G198 PolarHBondContact O-N 3.38Å; G198-L200 PolarHBondContact O-N 3.45Å; G198-S201 WeakPolarHBondContact O-CB 3.26Å; G198-S201 PolarHBondContact O-N 3.14Å; G198-S201 VanDerWaalsContact O-N 3.14Å; G198-S201 PolarHBondContact O-OG 2.84Å
199A97.1Very high98Very high30 Ų3035.7 Ų35.725%0.24819%0.191CC..G310 helixtrans-64.6-23.3-174.700000113.9L194 S201 L202 F206L194-A199 HydrophobicContact CB-CB 4.04Å; L194-A199 WeakPolarHBondContact O-CB 3.49Å; L194-A199 PolarHBondContact O-N 2.88Å; A199-S201 PolarHBondContact O-N 3.35Å; A199-S201 VanDerWaalsContact O-N 3.12Å; A199-L202 CarbonylContact O-C 3.6Å; A199-L202 PolarHBondContact O-N 3.1Å; A199-F206 HydrophobicContact CB-CB 4.5Å; A199-F206 HydrophobicContact CB-CD2 3.97Å
200L96.4Very high98Very high3 Ų335.7 Ų35.72%0.01619%0.191CC..G310 helixtrans-66.1-9.3175.4-80.6170.2000114.2S195 G198 L202 F206 V279 L280 L283 I320 H324S195-L200 WeakPolarHBondContact OG-CD1 3.46Å; G198-L200 PolarHBondContact O-N 3.45Å; L200-L202 PolarHBondContact O-N 3.49Å; L200-F206 HydrophobicContact CD2-CB 4.38Å; L200-F206 HydrophobicContact CD2-CD1 3.73Å; L200-F206 HydrophobicContact CD2-CD2 3.96Å; L200-F206 HydrophobicContact CD2-CE1 3.89Å; L200-F206 HydrophobicContact CD2-CE2 4.1Å; L200-F206 HydrophobicContact CD2-CG 3.76Å; L200-F206 HydrophobicContact CD2-CZ 4.07Å; L200-F206 HydrophobicContact CG-CD2 3.88Å; L200-F206 HydrophobicContact CG-CE2 3.94Å; L200-F206 HydrophobicContact CG-CG 4.18Å; L200-F206 HydrophobicContact CG-CZ 4.3Å; L200-V279 HydrophobicContact CD1-CG1 3.84Å; L200-V279 HydrophobicContact CD2-CG1 4.42Å; L200-L280 HydrophobicContact CD2-CD2 3.56Å; L200-L280 HydrophobicContact CD2-CG 4.49Å; L200-L283 HydrophobicContact CD2-CD1 4.33Å; L200-I320 HydrophobicContact CD1-CG2 3.95Å; L200-H324 WeakPolarHBondContact CB-ND1 3.42Å; L200-H324 HydrophobicContact CD1-CB 3.74Å
201S95.3Very high98Very high84 Ų8436 Ų3659%0.58719%0.193SC*.G310 helixtrans-62.8-21.4165.8590000113.1G198 A199G198-S201 WeakPolarHBondContact O-CB 3.26Å; G198-S201 PolarHBondContact O-N 3.14Å; G198-S201 VanDerWaalsContact O-N 3.14Å; G198-S201 PolarHBondContact O-OG 2.84Å; A199-S201 PolarHBondContact O-N 3.35Å; A199-S201 VanDerWaalsContact O-N 3.12Å
202L97.3Very high98Very high87 Ų8739.8 Ų39.846%0.45522%0.216SC..SBendtrans-127.378.3176.1-63.5171.2000108.9A199 L200 Q204 Q205 F206A199-L202 CarbonylContact O-C 3.6Å; A199-L202 PolarHBondContact O-N 3.1Å; L200-L202 PolarHBondContact O-N 3.49Å; L202-Q204 VanDerWaalsContact C-N 3.25Å; L202-Q204 PolarHBondContact O-N 3.11Å; L202-Q204 VanDerWaalsContact O-N 3.12Å; L202-Q205 HydrophobicContact CB-CB 4.01Å; L202-Q205 HydrophobicContact CB-CG 4.1Å; L202-Q205 WeakPolarHBondContact O-CA 3.49Å; L202-Q205 WeakPolarHBondContact O-CB 3.37Å; L202-Q205 PolarHBondContact O-N 2.83Å; L202-F206 PolarHBondContact O-N 3.41Å
203P97.3Very high97.9Very high42 Ų4240.7 Ų40.727%0.27322%0.221SC..Hα-helixtrans-56.7-36.4-168.7-27.536.5000113.9F206 I207 M248 L280 L283P203-F206 WeakPolarHBondContact O-CB 3.41Å; P203-F206 PolarHBondContact O-N 3.07Å; P203-I207 WeakPolarHBondContact O-CG2 3.42Å; P203-I207 PolarHBondContact O-N 3.49Å; P203-M248 HydrophobicContact CB-CE 3.91Å; P203-L280 HydrophobicContact CB-CD2 3.95Å; P203-L283 HydrophobicContact CB-CD1 3.91Å; P203-L283 HydrophobicContact CG-CD1 3.38Å
204Q97.8Very high97.9Very high84 Ų8440 Ų4039%0.39322%0.217SC..Hα-helixtrans-68.7-33.3177.4-63.5-6623.200113L202 I207 S208 D249L202-Q204 VanDerWaalsContact C-N 3.25Å; L202-Q204 PolarHBondContact O-N 3.11Å; L202-Q204 VanDerWaalsContact O-N 3.12Å; Q204-I207 WeakPolarHBondContact O-CG2 3.34Å; Q204-S208 VanDerWaalsContact O-CB 3.27Å; Q204-S208 WeakPolarHBondContact O-CB 3.44Å; Q204-S208 PolarHBondContact O-N 3.41Å; Q204-S208 VanDerWaalsContact O-N 3.13Å; Q204-S208 PolarHBondContact O-OG 2.74Å; Q204-D249 PolarHBondContact NE2-OD1 3.46Å
205Q98.3Very high97.9Very high127 Ų12742.9 Ų42.959%0.59323%0.23SC*.Hα-helixtrans-75.4-36.7174.4-63.6-176.316.400111.1L202 S208 R209L202-Q205 HydrophobicContact CB-CB 4.01Å; L202-Q205 HydrophobicContact CB-CG 4.1Å; L202-Q205 WeakPolarHBondContact O-CA 3.49Å; L202-Q205 WeakPolarHBondContact O-CB 3.37Å; L202-Q205 PolarHBondContact O-N 2.83Å; Q205-S208 PolarHBondContact O-N 3.2Å; Q205-R209 WeakPolarHBondContact O-CB 3.49Å; Q205-R209 PolarHBondContact O-N 2.76Å
206F98.6Very high97.9Very high2 Ų249.9 Ų49.91%0.00926%0.263CS..Hα-helixtrans-57.2-54173.8175-90.9000111.5A191 L194 A199 L200 L202 P203 S208 R209 L210 I276 L280 I320A191-F206 HydrophobicContact CB-CZ 4.04Å; A191-F206 WeakPolarHBondContact O-CE2 3.42Å; L194-F206 HydrophobicContact CB-CD2 3.78Å; L194-F206 HydrophobicContact CB-CE2 3.63Å; L194-F206 HydrophobicContact CD1-CD2 4.35Å; L194-F206 HydrophobicContact CD1-CE2 4.43Å; A199-F206 HydrophobicContact CB-CB 4.5Å; A199-F206 HydrophobicContact CB-CD2 3.97Å; L200-F206 HydrophobicContact CD2-CB 4.38Å; L200-F206 HydrophobicContact CD2-CD1 3.73Å; L200-F206 HydrophobicContact CD2-CD2 3.96Å; L200-F206 HydrophobicContact CD2-CE1 3.89Å; L200-F206 HydrophobicContact CD2-CE2 4.1Å; L200-F206 HydrophobicContact CD2-CG 3.76Å; L200-F206 HydrophobicContact CD2-CZ 4.07Å; L200-F206 HydrophobicContact CG-CD2 3.88Å; L200-F206 HydrophobicContact CG-CE2 3.94Å; L200-F206 HydrophobicContact CG-CG 4.18Å; L200-F206 HydrophobicContact CG-CZ 4.3Å; L202-F206 PolarHBondContact O-N 3.41Å; P203-F206 WeakPolarHBondContact O-CB 3.41Å; P203-F206 PolarHBondContact O-N 3.07Å; F206-S208 PolarHBondContact O-N 2.85Å; F206-R209 PolarHBondContact O-N 3Å; F206-L210 HydrophobicContact CD1-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 3.44Å; F206-L210 VanDerWaalsContact CE1-CD1 3.44Å; F206-L210 HydrophobicContact CE1-CG 4.4Å; F206-L210 HydrophobicContact CZ-CD1 3.75Å; F206-L210 PolarHBondContact O-N 3.2Å; F206-L210 VanDerWaalsContact O-N 3.1Å; F206-I276 HydrophobicContact CE1-CG2 4.17Å; F206-L280 HydrophobicContact CD1-CD1 4.45Å; F206-L280 HydrophobicContact CD1-CD2 3.96Å; F206-L280 HydrophobicContact CE1-CD2 4.39Å; F206-I320 HydrophobicContact CZ-CG2 4.43Å
207I98.7Very high97.9Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-66.9-39.2-179.2-168.561.3000111.9P203 Q204 R209 L210 I211 L241 V244 R245 M248 I276 L280P203-I207 WeakPolarHBondContact O-CG2 3.42Å; P203-I207 PolarHBondContact O-N 3.49Å; Q204-I207 WeakPolarHBondContact O-CG2 3.34Å; I207-R209 VanDerWaalsContact C-N 3.3Å; I207-R209 PolarHBondContact O-N 2.85Å; I207-L210 PolarHBondContact O-N 3.27Å; I207-I211 HydrophobicContact CG1-CD1 4.23Å; I207-I211 WeakPolarHBondContact O-CG1 3.41Å; I207-I211 PolarHBondContact O-N 3.29Å; I207-L241 HydrophobicContact CD1-CB 4.14Å; I207-L241 HydrophobicContact CD1-CD2 3.59Å; I207-L241 HydrophobicContact CD1-CG 4.43Å; I207-V244 HydrophobicContact CD1-CB 4.3Å; I207-V244 HydrophobicContact CD1-CG1 3.91Å; I207-V244 HydrophobicContact CG1-CG1 4.47Å; I207-R245 HydrophobicContact CG1-CB 4.2Å; I207-R245 HydrophobicContact CG2-CB 4.4Å; I207-R245 HydrophobicContact CG2-CG 4.23Å; I207-M248 HydrophobicContact CG2-SD 4.43Å; I207-I276 HydrophobicContact CD1-CG2 4.42Å; I207-L280 HydrophobicContact CD1-CD1 4.32Å
208S98.6Very high97.9Very high49 Ų4946.9 Ų46.934%0.34325%0.249SC..Hα-helixtrans-62.5-39.1176.6-60.40000111.8Q204 Q205 F206 I211 T212Q204-S208 VanDerWaalsContact O-CB 3.27Å; Q204-S208 WeakPolarHBondContact O-CB 3.44Å; Q204-S208 PolarHBondContact O-N 3.41Å; Q204-S208 VanDerWaalsContact O-N 3.13Å; Q204-S208 PolarHBondContact O-OG 2.74Å; Q205-S208 PolarHBondContact O-N 3.2Å; F206-S208 PolarHBondContact O-N 2.85Å; S208-I211 PolarHBondContact O-N 3.08Å; S208-T212 PolarHBondContact O-N 2.93Å; S208-T212 VanDerWaalsContact O-N 3.08Å; S208-T212 PolarHBondContact O-OG1 3.33Å
209R98.6Very high98Very high123 Ų12348.2 Ų48.246%0.46426%0.263SS..Hα-helixtrans-64.9-44.9176.3-176.261-177.8-130.39.2111.3L194 Q205 F206 I207 I211 T212 E213L194-R209 HydrophobicContact CD1-CB 4.01Å; L194-R209 HydrophobicContact CD1-CG 3.74Å; L194-R209 HydrophobicContact CD2-CG 4.03Å; Q205-R209 WeakPolarHBondContact O-CB 3.49Å; Q205-R209 PolarHBondContact O-N 2.76Å; F206-R209 PolarHBondContact O-N 3Å; I207-R209 VanDerWaalsContact C-N 3.3Å; I207-R209 PolarHBondContact O-N 2.85Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 3.37Å; R209-T212 PolarHBondContact O-N 3.39Å; R209-E213 HydrophobicContact CG-CG 4.44Å; R209-E213 IonicContact CZ-OE1 3.22Å; R209-E213 IonicContact NE-OE1 3.03Å; R209-E213 PolarHBondContact NE-OE1 3.11Å; R209-E213 IonicContact NH2-OE1 2.66Å; R209-E213 PolarHBondContact NH2-OE1 2.95Å; R209-E213 WeakPolarHBondContact O-CG 3.28Å; R209-E213 PolarHBondContact O-N 3.37Å
210L98.8Very high97.9Very high0 Ų050.3 Ų50.30%027%0.268CS..Hα-helixtrans-59.3-42176.2-70.3178.6000112.2L187 L190 A191 L194 F206 I207 E213 M214 L241 I276L187-L210 HydrophobicContact CD1-CB 4.32Å; L187-L210 HydrophobicContact CD1-CD1 4.32Å; L187-L210 HydrophobicContact CD1-CD2 4.09Å; L187-L210 HydrophobicContact CD1-CG 4.49Å; L190-L210 HydrophobicContact CB-CD2 3.79Å; A191-L210 HydrophobicContact CB-CD1 4.16Å; A191-L210 HydrophobicContact CB-CD2 4.38Å; L194-L210 HydrophobicContact CD1-CD2 3.61Å; L194-L210 HydrophobicContact CD1-CG 3.92Å; F206-L210 HydrophobicContact CD1-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 3.44Å; F206-L210 VanDerWaalsContact CE1-CD1 3.44Å; F206-L210 HydrophobicContact CE1-CG 4.4Å; F206-L210 HydrophobicContact CZ-CD1 3.75Å; F206-L210 PolarHBondContact O-N 3.2Å; F206-L210 VanDerWaalsContact O-N 3.1Å; I207-L210 PolarHBondContact O-N 3.27Å; L210-E213 PolarHBondContact O-N 3.07Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 WeakPolarHBondContact O-CG 3.17Å; L210-M214 PolarHBondContact O-N 2.98Å; L210-L241 HydrophobicContact CB-CD1 4.06Å; L210-I276 HydrophobicContact CD1-CD1 4.11Å; L210-I276 HydrophobicContact CD1-CG2 4.34Å
211I98.8Very high98Very high7 Ų758.4 Ų58.44%0.03631%0.305CS..Hα-helixtrans-58.7-50.6175.8-68.3160.4000110.3I207 S208 R209 E213 M214 E215 L241I207-I211 HydrophobicContact CG1-CD1 4.23Å; I207-I211 WeakPolarHBondContact O-CG1 3.41Å; I207-I211 PolarHBondContact O-N 3.29Å; S208-I211 PolarHBondContact O-N 3.08Å; R209-I211 VanDerWaalsContact C-N 3.31Å; R209-I211 PolarHBondContact O-N 3.37Å; I211-E213 PolarHBondContact O-N 3.27Å; I211-M214 PolarHBondContact O-N 2.75Å; I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 WeakPolarHBondContact O-CG 3.38Å; I211-E215 PolarHBondContact O-N 3.42Å; I211-L241 HydrophobicContact CD1-CB 4.27Å; I211-L241 HydrophobicContact CG1-CB 3.53Å; I211-L241 HydrophobicContact CG1-CD1 4.21Å
212T98.6Very high98Very high80 Ų8058.5 Ų58.549%0.49130%0.296SS..Hα-helixtrans-59.5-44.3-180-60.70000112.7S208 R209 E215 E216S208-T212 PolarHBondContact O-N 2.93Å; S208-T212 VanDerWaalsContact O-N 3.08Å; S208-T212 PolarHBondContact O-OG1 3.33Å; R209-T212 PolarHBondContact O-N 3.39Å; T212-E215 PolarHBondContact O-N 2.97Å; T212-E216 PolarHBondContact O-N 2.74Å
213E98.6Very high97.9Very high19 Ų1954.6 Ų54.69%0.08928%0.277CS..Hα-helixtrans-65.8-40.2178.3-62.5-63.2159.200111.6L161 L190 R209 L210 I211 E216 V217L161-E213 HydrophobicContact CD1-CG 4.19Å; L161-E213 HydrophobicContact CD2-CG 4.48Å; L161-E213 WeakPolarHBondContact CD2-OE2 3.33Å; L190-E213 HydrophobicContact CD1-CB 3.78Å; L190-E213 HydrophobicContact CD1-CG 4.48Å; R209-E213 HydrophobicContact CG-CG 4.44Å; R209-E213 IonicContact CZ-OE1 3.22Å; R209-E213 IonicContact NE-OE1 3.03Å; R209-E213 PolarHBondContact NE-OE1 3.11Å; R209-E213 IonicContact NH2-OE1 2.66Å; R209-E213 PolarHBondContact NH2-OE1 2.95Å; R209-E213 WeakPolarHBondContact O-CG 3.28Å; R209-E213 PolarHBondContact O-N 3.37Å; L210-E213 PolarHBondContact O-N 3.07Å; I211-E213 PolarHBondContact O-N 3.27Å; E213-E216 PolarHBondContact O-N 2.97Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 2.93Å; E213-V217 VanDerWaalsContact O-N 3.09Å
214M98.6Very high97.9Very high0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-71.3-31.7177.8-69.8-49.5-59.900112.7N183 V186 L187 L190 L210 I211 E216 V217 E218 F237 L241N183-M214 HydrophobicContact CB-CE 3.98Å; V186-M214 HydrophobicContact CG1-SD 4.38Å; L187-M214 HydrophobicContact CB-CE 4.24Å; L187-M214 HydrophobicContact CB-CG 4.42Å; L187-M214 HydrophobicContact CB-SD 3.77Å; L187-M214 HydrophobicContact CD1-CG 3.81Å; L187-M214 HydrophobicContact CD1-SD 4.17Å; L187-M214 HydrophobicContact CG-SD 4.47Å; L190-M214 HydrophobicContact CD1-SD 4.22Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 WeakPolarHBondContact O-CG 3.17Å; L210-M214 PolarHBondContact O-N 2.98Å; I211-M214 PolarHBondContact O-N 2.75Å; M214-E216 PolarHBondContact O-N 2.67Å; M214-V217 HydrophobicContact CE-CB 4.3Å; M214-V217 HydrophobicContact CE-CG1 3.93Å; M214-V217 PolarHBondContact O-N 3.44Å; M214-V217 HydrophobicContact SD-CB 4.43Å; M214-V217 HydrophobicContact SD-CG1 4.48Å; M214-E218 HydrophobicContact CE-CG 4.08Å; M214-E218 VanDerWaalsContact O-CB 3.27Å; M214-E218 WeakPolarHBondContact O-CB 3.41Å; M214-E218 VanDerWaalsContact O-CG 3.27Å; M214-E218 WeakPolarHBondContact O-CG 3.42Å; M214-E218 PolarHBondContact O-N 2.95Å; M214-F237 HydrophobicContact CE-CB 3.89Å; M214-F237 HydrophobicContact CE-CD2 4.1Å; M214-F237 HydrophobicContact CE-CG 4.14Å; M214-L241 HydrophobicContact CB-CD1 4.24Å; M214-L241 HydrophobicContact CG-CD1 3.89Å
215E98.4Very high97.9Very high78 Ų7857.6 Ų57.636%0.36428%0.282SS..Hα-helixtrans-61.3-33.9174.3-80.6179.5165.200112.4I211 T212 G219 K235 S238I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CB 3.43Å; I211-E215 WeakPolarHBondContact O-CG 3.38Å; I211-E215 PolarHBondContact O-N 3.42Å; T212-E215 PolarHBondContact O-N 2.97Å; E215-G219 PolarHBondContact O-N 3.5Å; E215-K235 HydrophobicContact CG-CD 4.38Å; E215-K235 PolarHBondContact O-NZ 3.19Å; E215-S238 PolarHBondContact N-OG 3.02Å
216E97.8Very high97.8Very high148 Ų14852.1 Ų52.169%0.69226%0.257SS*.Hα-helixtrans-73.3-50.4174-175.4175.5170.400110.8T212 E213 M214 E218 G219T212-E216 PolarHBondContact O-N 2.74Å; E213-E216 PolarHBondContact O-N 2.97Å; M214-E216 PolarHBondContact O-N 2.67Å; E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 PolarHBondContact O-N 3.49Å; E216-G219 PolarHBondContact O-N 3.45Å
217V97.8Very high97.7Very high7 Ų752.1 Ų52.14%0.04226%0.257CS..Hα-helixtrans-59.5-40.1179.9165.60000112.5T165 N183 V186 E213 M214 G219T165-V217 HydrophobicContact CG2-CG2 4.03Å; N183-V217 HydrophobicContact CB-CG1 4.23Å; N183-V217 VanDerWaalsContact CG-CG1 3.5Å; N183-V217 WeakPolarHBondContact OD1-CG1 3.34Å; V186-V217 HydrophobicContact CG1-CG1 4.4Å; V186-V217 HydrophobicContact CG1-CG2 4.09Å; E213-V217 WeakPolarHBondContact O-CG2 3.37Å; E213-V217 PolarHBondContact O-N 2.93Å; E213-V217 VanDerWaalsContact O-N 3.09Å; M214-V217 HydrophobicContact CE-CB 4.3Å; M214-V217 HydrophobicContact CE-CG1 3.93Å; M214-V217 PolarHBondContact O-N 3.44Å; M214-V217 HydrophobicContact SD-CB 4.43Å; M214-V217 HydrophobicContact SD-CG1 4.48Å; V217-G219 VanDerWaalsContact C-N 3.29Å
218E98.4Very high97.7Very high2 Ų261.3 Ų61.31%0.00929%0.292CS..THydrogen-bonded Turntrans-83-5.7179-62.8-175.8120.500113M214 E216 E220 L224 K235 P236 F237 S238M214-E218 HydrophobicContact CE-CG 4.08Å; M214-E218 VanDerWaalsContact O-CB 3.27Å; M214-E218 WeakPolarHBondContact O-CB 3.41Å; M214-E218 VanDerWaalsContact O-CG 3.27Å; M214-E218 WeakPolarHBondContact O-CG 3.42Å; M214-E218 PolarHBondContact O-N 2.95Å; E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 PolarHBondContact O-N 3.49Å; E218-E220 VanDerWaalsContact C-N 3.27Å; E218-L224 WeakPolarHBondContact O-CD2 3.45Å; E218-K235 HydrophobicContact CB-CB 4.1Å; E218-K235 HydrophobicContact CB-CD 4.42Å; E218-K235 HydrophobicContact CB-CG 3.96Å; E218-K235 WeakPolarHBondContact OE2-CB 3.37Å; E218-P236 WeakPolarHBondContact OE1-CD 3.48Å; E218-P236 WeakPolarHBondContact OE1-CG 3.4Å; E218-P236 VanDerWaalsContact OE1-N 3.13Å; E218-F237 VanDerWaalsContact OE1-CB 3.31Å; E218-F237 WeakPolarHBondContact OE1-CB 3.24Å; E218-F237 WeakPolarHBondContact OE1-CD2 3.31Å; E218-F237 PolarHBondContact OE1-N 2.87Å; E218-S238 WeakPolarHBondContact OE2-CB 3.35Å; E218-S238 PolarHBondContact OE2-N 3.19Å; E218-S238 PolarHBondContact OE2-OG 3.48Å
219G97.4Very high97.5Very high40 Ų4063 Ų6341%0.41230%0.296SS..THydrogen-bonded Turntrans-77.8-9172.200000114.1E215 E216 V217E215-G219 PolarHBondContact O-N 3.5Å; E216-G219 PolarHBondContact O-N 3.45Å; V217-G219 VanDerWaalsContact C-N 3.29Å
220E96.8Very high97.4Very high75 Ų7559.1 Ų59.135%0.3528%0.284SS..SBendtrans-68.1141.4177.8-65.4-179.7-160.200111.7R169 E218 E222 A223 L224R169-E220 IonicContact CZ-OE1 3.06Å; R169-E220 IonicContact CZ-OE2 3.56Å; R169-E220 IonicContact NH1-OE1 3.4Å; R169-E220 PolarHBondContact NH1-OE1 3.14Å; R169-E220 IonicContact NH1-OE2 3.78Å; R169-E220 PolarHBondContact NH1-OE2 3.35Å; R169-E220 IonicContact NH2-OE1 3.74Å; R169-E220 PolarHBondContact NH2-OE1 3.32Å; R169-E220 IonicContact NH2-OE2 3.57Å; E218-E220 VanDerWaalsContact C-N 3.27Å; E220-E222 VanDerWaalsContact C-N 3.29Å; E220-E222 PolarHBondContact O-N 3.37Å; E220-A223 HydrophobicContact CB-CB 4.5Å; E220-A223 WeakPolarHBondContact O-CB 3.33Å; E220-A223 PolarHBondContact O-N 3.17Å; E220-L224 WeakPolarHBondContact O-CG 3.36Å; E220-L224 PolarHBondContact O-N 3.11Å; E220-L224 VanDerWaalsContact O-N 3.12Å
221E97.1Very high97.3Very high172 Ų17268.1 Ų68.180%0.80432%0.323SS*.Hα-helixtrans-55.7-40.6-174.3-173.9177.8-178.800113.2L224 R225E221-L224 PolarHBondContact O-N 2.79Å; E221-R225 WeakPolarHBondContact O-CB 3.37Å; E221-R225 PolarHBondContact O-N 3.26Å
222E95.3Very high97.2Very high87 Ų8771.3 Ų71.341%0.40734%0.338SS..Hα-helixtrans-67.5-36.6179.3-163.665.6-154.500111.8E220 R225 D226E220-E222 VanDerWaalsContact C-N 3.29Å; E220-E222 PolarHBondContact O-N 3.37Å; E222-R225 PolarHBondContact O-N 3.21Å; E222-R225 IonicContact OE1-NH1 3.99Å; E222-R225 IonicContact OE2-NH1 2.62Å; E222-D226 PolarHBondContact O-N 2.99Å
223A96.4Very high97.1Very high5 Ų569 Ų694%0.04133%0.327CS..Hα-helixtrans-66-46177.200000111.4E220 R225 D226 A227E220-A223 HydrophobicContact CB-CB 4.5Å; E220-A223 WeakPolarHBondContact O-CB 3.33Å; E220-A223 PolarHBondContact O-N 3.17Å; A223-R225 VanDerWaalsContact C-N 3.26Å; A223-R225 PolarHBondContact O-N 3.13Å; A223-D226 PolarHBondContact O-N 3.19Å; A223-A227 WeakPolarHBondContact O-CB 3.43Å; A223-A227 PolarHBondContact O-N 2.86Å
224L97.3Very high96.9Very high43 Ų4374.4 Ų74.423%0.22535%0.352CS..Hα-helixtrans-61.3-36.4175.7-61.9173.8000112E218 E220 E221 R228 E234E218-L224 WeakPolarHBondContact O-CD2 3.45Å; E220-L224 WeakPolarHBondContact O-CG 3.36Å; E220-L224 PolarHBondContact O-N 3.11Å; E220-L224 VanDerWaalsContact O-N 3.12Å; E221-L224 PolarHBondContact O-N 2.79Å; L224-R228 WeakPolarHBondContact O-CB 3.4Å; L224-R228 PolarHBondContact O-N 3.38Å; L224-E234 HydrophobicContact CD2-CG 3.34Å
225R97.1Very high96.9Very high145 Ų14577.8 Ų77.855%0.54737%0.367SS..Hα-helixtrans-67.6-50.6177.9-179.6-174.8178.8-166.2-0.3111.6E221 E222 A223 R228 I229E221-R225 WeakPolarHBondContact O-CB 3.37Å; E221-R225 PolarHBondContact O-N 3.26Å; E222-R225 PolarHBondContact O-N 3.21Å; E222-R225 IonicContact OE1-NH1 3.99Å; E222-R225 IonicContact OE2-NH1 2.62Å; A223-R225 VanDerWaalsContact C-N 3.26Å; A223-R225 PolarHBondContact O-N 3.13Å; R225-R228 WeakPolarHBondContact O-CB 3.46Å; R225-R228 PolarHBondContact O-N 3.22Å; R225-I229 HydrophobicContact CG-CD1 3.95Å; R225-I229 WeakPolarHBondContact O-CG1 3.36Å; R225-I229 PolarHBondContact O-N 3.4Å
226D97.1Very high96.9Very high13 Ų1374.4 Ų74.47%0.0735%0.352CS..Hα-helixtrans-62.2-44.6179.9-87-12.2000112C178 S179 L180 E222 A223 R228 I229 L230C178-D226 PolarHBondContact SG-OD2 2.64Å; S179-D226 WeakPolarHBondContact CB-OD2 3.34Å; S179-D226 PolarHBondContact N-OD2 3.34Å; S179-D226 WeakPolarHBondContact OG-CB 3.43Å; S179-D226 PolarHBondContact OG-OD2 3.05Å; L180-D226 HydrophobicContact CD1-CB 4.31Å; E222-D226 PolarHBondContact O-N 2.99Å; A223-D226 PolarHBondContact O-N 3.19Å; D226-R228 VanDerWaalsContact C-N 3.29Å; D226-R228 PolarHBondContact O-N 2.89Å; D226-I229 PolarHBondContact O-N 3.29Å; D226-I229 VanDerWaalsContact O-N 3.14Å; D226-L230 WeakPolarHBondContact O-CB 3.32Å; D226-L230 WeakPolarHBondContact O-CG 3.42Å; D226-L230 PolarHBondContact O-N 3.2Å
227A96.4Very high96.9Very high1 Ų167.4 Ų67.41%0.00832%0.319CS..Hα-helixtrans-55.3-46175.200000111.4A223 I229 L230 K231 E232 A233A223-A227 WeakPolarHBondContact O-CB 3.43Å; A223-A227 PolarHBondContact O-N 2.86Å; A227-I229 PolarHBondContact O-N 3.22Å; A227-L230 CarbonylContact O-C 3.49Å; A227-L230 PolarHBondContact O-N 3.21Å; A227-K231 PolarHBondContact O-N 3.16Å; A227-E232 PolarHBondContact O-N 3.43Å; A227-A233 WeakPolarHBondContact CB-O 3.42Å
228R97.4Very high97Very high194 Ų19467.3 Ų67.373%0.73232%0.319SS*.Hα-helixtrans-62.9-41.8176.3-172-171.7-53.7-112.9-4.2112.8L224 R225 D226 L230 K231L224-R228 WeakPolarHBondContact O-CB 3.4Å; L224-R228 PolarHBondContact O-N 3.38Å; R225-R228 WeakPolarHBondContact O-CB 3.46Å; R225-R228 PolarHBondContact O-N 3.22Å; D226-R228 VanDerWaalsContact C-N 3.29Å; D226-R228 PolarHBondContact O-N 2.89Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-K231 PolarHBondContact O-N 2.99Å
229I95.8Very high97Very high84 Ų8471.6 Ų71.643%0.43134%0.339SS..Hα-helixtrans-64.8-40.3178.7-72169.1000110.7R225 D226 A227 K231R225-I229 HydrophobicContact CG-CD1 3.95Å; R225-I229 WeakPolarHBondContact O-CG1 3.36Å; R225-I229 PolarHBondContact O-N 3.4Å; D226-I229 PolarHBondContact O-N 3.29Å; D226-I229 VanDerWaalsContact O-N 3.14Å; A227-I229 PolarHBondContact O-N 3.22Å; I229-K231 VanDerWaalsContact C-N 3.28Å
230L95Very high97Very high41 Ų4171.8 Ų71.822%0.21533%0.327CS..Hα-helixtrans-82.4-6.2179.3-64.6176.4000113.3F143 L180 D226 A227 R228 E232F143-L230 HydrophobicContact CD1-CD1 4.19Å; F143-L230 HydrophobicContact CD1-CD2 4.41Å; F143-L230 HydrophobicContact CE1-CD2 4.49Å; L180-L230 HydrophobicContact CD1-CD1 3.84Å; L180-L230 HydrophobicContact CD2-CD1 3.54Å; L180-L230 HydrophobicContact CG-CD1 4.18Å; D226-L230 WeakPolarHBondContact O-CB 3.32Å; D226-L230 WeakPolarHBondContact O-CG 3.42Å; D226-L230 PolarHBondContact O-N 3.2Å; A227-L230 CarbonylContact O-C 3.49Å; A227-L230 PolarHBondContact O-N 3.21Å; R228-L230 VanDerWaalsContact C-N 3.33Å; L230-E232 HydrophobicContact CB-CG 4.22Å; L230-E232 PolarHBondContact O-N 3.49Å
231K96.8Very high97.1Very high190 Ų19068.2 Ų68.283%0.82631%0.31SS*.THydrogen-bonded Turntrans61.532.1-177.3-52176.9179.5177.60113.1A227 R228 I229A227-K231 PolarHBondContact O-N 3.16Å; R228-K231 PolarHBondContact O-N 2.99Å; I229-K231 VanDerWaalsContact C-N 3.28Å
232E97.2Very high97.2Very high74 Ų7462.7 Ų62.735%0.34629%0.285SS..  trans-84.8170.5169.5-66.1-58.6155.600110.6L180 A227 L230 P236 L269L180-E232 HydrophobicContact CD2-CG 3.93Å; A227-E232 PolarHBondContact O-N 3.43Å; L230-E232 HydrophobicContact CB-CG 4.22Å; L230-E232 PolarHBondContact O-N 3.49Å; E232-P236 HydrophobicContact CB-CB 4.18Å; E232-L269 HydrophobicContact CG-CD2 4.16Å
233A95.7Very high97.4Very high32 Ų3262.9 Ų62.926%0.26428%0.282SS..  trans-56.3156.8168.200000111.4A227 K235 P236 E239A227-A233 WeakPolarHBondContact CB-O 3.42Å; A233-K235 PolarHBondContact O-N 3.38Å; A233-P236 VanDerWaalsContact O-CD 3.28Å; A233-P236 WeakPolarHBondContact O-CD 3.49Å; A233-E239 WeakPolarHBondContact CB-OE2 3.35Å
234E95.2Very high97.5Very high131 Ų13162.7 Ų62.761%0.61228%0.28SS*.SBendtrans-59.4-36.1-178-173.4172.6-169.700112.6L224L224-E234 HydrophobicContact CD2-CG 3.34Å
235K98.2Very high97.5Very high71 Ų7164.1 Ų64.131%0.30928%0.282SS..SBendtrans-127.274.8176.6-61.5-169.3-179.9-165.90109.8E215 E218 A233 F237 S238 E239E215-K235 HydrophobicContact CG-CD 4.38Å; E215-K235 PolarHBondContact O-NZ 3.19Å; E218-K235 HydrophobicContact CB-CB 4.1Å; E218-K235 HydrophobicContact CB-CD 4.42Å; E218-K235 HydrophobicContact CB-CG 3.96Å; E218-K235 WeakPolarHBondContact OE2-CB 3.37Å; A233-K235 PolarHBondContact O-N 3.38Å; K235-F237 PolarHBondContact O-N 3.09Å; K235-S238 PolarHBondContact O-N 3.43Å; K235-E239 PolarHBondContact O-N 2.92Å
236P98.4Very high97.5Very high8 Ų860.2 Ų60.25%0.05227%0.272CS..Hα-helixtrans-64.7-39.5-164.925.3-34.2000113.5E218 E232 A233 R240 L269E218-P236 WeakPolarHBondContact OE1-CD 3.48Å; E218-P236 WeakPolarHBondContact OE1-CG 3.4Å; E218-P236 VanDerWaalsContact OE1-N 3.13Å; E232-P236 HydrophobicContact CB-CB 4.18Å; A233-P236 VanDerWaalsContact O-CD 3.28Å; A233-P236 WeakPolarHBondContact O-CD 3.49Å; P236-R240 WeakPolarHBondContact O-CG 3.44Å; P236-R240 PolarHBondContact O-N 3.29Å; P236-L269 HydrophobicContact CB-CD1 3.78Å; P236-L269 HydrophobicContact CB-CD2 3.79Å; P236-L269 HydrophobicContact CB-CG 4.46Å
237F98.8Very high97.6Very high0 Ų059.7 Ų59.70%027%0.269CS..Hα-helixtrans-69.8-41.3176.1-72.1-76000111.8L180 N183 L187 M214 E218 K235 E239 R240 L241 A268 L269 V272 P273L180-F237 WeakPolarHBondContact O-CE2 3.47Å; L180-F237 VanDerWaalsContact O-CZ 3.24Å; L180-F237 WeakPolarHBondContact O-CZ 3.4Å; N183-F237 HydrophobicContact CB-CD2 3.97Å; N183-F237 HydrophobicContact CB-CE2 3.8Å; L187-F237 HydrophobicContact CD2-CB 4.21Å; L187-F237 HydrophobicContact CD2-CD1 3.53Å; L187-F237 HydrophobicContact CD2-CE1 4.24Å; L187-F237 HydrophobicContact CD2-CG 4.16Å; M214-F237 HydrophobicContact CE-CB 3.89Å; M214-F237 HydrophobicContact CE-CD2 4.1Å; M214-F237 HydrophobicContact CE-CG 4.14Å; E218-F237 VanDerWaalsContact OE1-CB 3.31Å; E218-F237 WeakPolarHBondContact OE1-CB 3.24Å; E218-F237 WeakPolarHBondContact OE1-CD2 3.31Å; E218-F237 PolarHBondContact OE1-N 2.87Å; K235-F237 PolarHBondContact O-N 3.09Å; F237-E239 VanDerWaalsContact C-N 3.31Å; F237-E239 PolarHBondContact O-N 3.33Å; F237-R240 PolarHBondContact O-N 3.07Å; F237-L241 WeakPolarHBondContact O-CB 2.93Å; F237-L241 VanDerWaalsContact O-CG 3.24Å; F237-L241 WeakPolarHBondContact O-CG 3.42Å; F237-L241 PolarHBondContact O-N 3.46Å; F237-A268 HydrophobicContact CZ-CB 4.14Å; F237-L269 HydrophobicContact CD1-CD1 3.89Å; F237-L269 HydrophobicContact CD2-CD1 4.48Å; F237-L269 HydrophobicContact CE1-CB 4.39Å; F237-L269 HydrophobicContact CE1-CD1 4.01Å; F237-L269 HydrophobicContact CG-CD1 4.14Å; F237-L269 HydrophobicContact CZ-CB 4.36Å; F237-L269 HydrophobicContact CZ-CD1 4.34Å; F237-V272 HydrophobicContact CE1-CB 4.49Å; F237-P273 HydrophobicContact CD1-CG 4.12Å; F237-P273 HydrophobicContact CE1-CG 4.47Å
238S98.6Very high97.4Very high5 Ų561.8 Ų61.84%0.03528%0.28CS..Hα-helixtrans-58.8-43.8175-560000111.2E215 E218 K235 L241 H242E215-S238 PolarHBondContact N-OG 3.02Å; E218-S238 WeakPolarHBondContact OE2-CB 3.35Å; E218-S238 PolarHBondContact OE2-N 3.19Å; E218-S238 PolarHBondContact OE2-OG 3.48Å; K235-S238 PolarHBondContact O-N 3.43Å; S238-L241 PolarHBondContact O-N 3Å; S238-H242 PolarHBondContact O-CD2 2.93Å; S238-H242 PolarHBondContact O-N 3.17Å
239E98.5Very high97.2Very high92 Ų9257.3 Ų57.343%0.4327%0.27SS..Hα-helixtrans-62.1-45.8174.5-175.9172.516000112A233 K235 F237 L241 H242 R243A233-E239 WeakPolarHBondContact CB-OE2 3.35Å; K235-E239 PolarHBondContact O-N 2.92Å; F237-E239 VanDerWaalsContact C-N 3.31Å; F237-E239 PolarHBondContact O-N 3.33Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.17Å; E239-H242 WeakPolarHBondContact O-CB 3.47Å; E239-H242 PolarHBondContact O-N 3.27Å; E239-R243 PolarHBondContact O-N 3.07Å
240R98.6Very high97.1Very high44 Ų4457.8 Ų57.817%0.16627%0.266CS..Hα-helixtrans-63.5-37.5176.7-69.8-65.8-179.5129.614.7112.4P236 F237 H242 R243 V244 E261 L262 L269 H270 P273P236-R240 WeakPolarHBondContact O-CG 3.44Å; P236-R240 PolarHBondContact O-N 3.29Å; F237-R240 PolarHBondContact O-N 3.07Å; R240-H242 VanDerWaalsContact C-N 3.31Å; R240-H242 PolarHBondContact O-N 3.18Å; R240-R243 CarbonylContact O-C 3.58Å; R240-R243 WeakPolarHBondContact O-CA 3.47Å; R240-R243 WeakPolarHBondContact O-CB 3.44Å; R240-R243 PolarHBondContact O-N 3.25Å; R240-R243 VanDerWaalsContact O-N 3.09Å; R240-V244 WeakPolarHBondContact O-CG2 3.31Å; R240-V244 PolarHBondContact O-N 3.38Å; R240-E261 PolarHBondContact NH1-O 3.03Å; R240-L262 VanDerWaalsContact NH1-CA 3.29Å; R240-L262 PolarHBondContact NH1-O 3.46Å; R240-L262 VanDerWaalsContact NH1-O 3.11Å; R240-L269 HydrophobicContact CB-CD1 4.47Å; R240-L269 HydrophobicContact CG-CD1 3.66Å; R240-L269 HydrophobicContact CG-CG 4.26Å; R240-H270 PolarHBondContact NH2-CD2 3.49Å; R240-H270 PolarHBondContact NH2-NE2 3.48Å; R240-P273 HydrophobicContact CB-CB 3.91Å; R240-P273 HydrophobicContact CB-CG 3.73Å; R240-P273 HydrophobicContact CG-CG 4.34Å
241L98.8Very high96.6Very high0 Ų063.8 Ų63.80%030%0.299CS..Hα-helixtrans-67.2-32175.7-69.1169.3000112.2L187 I207 L210 I211 M214 F237 S238 E239 V244 R245 I276L187-L241 HydrophobicContact CD1-CD1 3.91Å; L187-L241 HydrophobicContact CD1-CD2 4.24Å; L187-L241 HydrophobicContact CD2-CD1 4.33Å; L187-L241 HydrophobicContact CD2-CD2 4.28Å; L187-L241 HydrophobicContact CD2-CG 4.43Å; I207-L241 HydrophobicContact CD1-CB 4.14Å; I207-L241 HydrophobicContact CD1-CD2 3.59Å; I207-L241 HydrophobicContact CD1-CG 4.43Å; L210-L241 HydrophobicContact CB-CD1 4.06Å; I211-L241 HydrophobicContact CD1-CB 4.27Å; I211-L241 HydrophobicContact CG1-CB 3.53Å; I211-L241 HydrophobicContact CG1-CD1 4.21Å; M214-L241 HydrophobicContact CB-CD1 4.24Å; M214-L241 HydrophobicContact CG-CD1 3.89Å; F237-L241 WeakPolarHBondContact O-CB 2.93Å; F237-L241 VanDerWaalsContact O-CG 3.24Å; F237-L241 WeakPolarHBondContact O-CG 3.42Å; F237-L241 PolarHBondContact O-N 3.46Å; S238-L241 PolarHBondContact O-N 3Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.17Å; L241-V244 WeakPolarHBondContact O-CB 3.29Å; L241-V244 PolarHBondContact O-N 3.45Å; L241-R245 PolarHBondContact O-N 3.45Å; L241-I276 HydrophobicContact CD2-CD1 4.1Å
242H98.6Very high96.2Very high56 Ų5663.9 Ų63.926%0.25930%0.299SS..Hα-helixtrans-63-42.1167.6-73.8-54.2000111.8S238 E239 R240 V244 R245 D246S238-H242 PolarHBondContact O-CD2 2.93Å; S238-H242 PolarHBondContact O-N 3.17Å; E239-H242 WeakPolarHBondContact O-CB 3.47Å; E239-H242 PolarHBondContact O-N 3.27Å; R240-H242 VanDerWaalsContact C-N 3.31Å; R240-H242 PolarHBondContact O-N 3.18Å; H242-V244 PolarHBondContact O-N 2.8Å; H242-R245 PolarHBondContact ND1-NH2 3.42Å; H242-R245 WeakPolarHBondContact O-CB 3.47Å; H242-R245 PolarHBondContact O-N 3.07Å; H242-D246 VanDerWaalsContact O-CG 3.23Å; H242-D246 PolarHBondContact O-N 3.31Å
243R98.5Very high96Very high92 Ų9261.4 Ų61.435%0.34729%0.289SS..Hα-helixtrans-61.6-41.9173.1-59.4-61.7177.9179.91.7112.3E239 R240 R245 D246 L247 L262E239-R243 PolarHBondContact O-N 3.07Å; R240-R243 CarbonylContact O-C 3.58Å; R240-R243 WeakPolarHBondContact O-CA 3.47Å; R240-R243 WeakPolarHBondContact O-CB 3.44Å; R240-R243 PolarHBondContact O-N 3.25Å; R240-R243 VanDerWaalsContact O-N 3.09Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.28Å; R243-D246 PolarHBondContact O-N 2.93Å; R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.11Å; R243-L247 PolarHBondContact O-N 3.13Å; R243-L262 HydrophobicContact CB-CD2 3.89Å
244V98.6Very high96Very high0 Ų062.3 Ų62.30%029%0.294CS..Hα-helixtrans-55.5-49.2173.3170.80000110.4I207 R240 L241 H242 D246 L247 M248 L262 P273 I276 F277 L280I207-V244 HydrophobicContact CD1-CB 4.3Å; I207-V244 HydrophobicContact CD1-CG1 3.91Å; I207-V244 HydrophobicContact CG1-CG1 4.47Å; R240-V244 WeakPolarHBondContact O-CG2 3.31Å; R240-V244 PolarHBondContact O-N 3.38Å; L241-V244 WeakPolarHBondContact O-CB 3.29Å; L241-V244 PolarHBondContact O-N 3.45Å; H242-V244 PolarHBondContact O-N 2.8Å; V244-D246 PolarHBondContact O-N 3.36Å; V244-L247 PolarHBondContact O-N 2.89Å; V244-M248 HydrophobicContact CG1-SD 4.22Å; V244-M248 VanDerWaalsContact O-CG 3.29Å; V244-M248 WeakPolarHBondContact O-CG 3.36Å; V244-M248 PolarHBondContact O-N 2.56Å; V244-L262 HydrophobicContact CG2-CD1 3.84Å; V244-L262 HydrophobicContact CG2-CD2 3.85Å; V244-P273 HydrophobicContact CG2-CB 4.11Å; V244-I276 HydrophobicContact CG1-CG2 4.47Å; V244-F277 HydrophobicContact CG1-CB 4.13Å; V244-F277 HydrophobicContact CG1-CD2 4.22Å; V244-F277 HydrophobicContact CG2-CB 4.2Å; V244-L280 HydrophobicContact CG1-CD1 3.83Å
245R98.1Very high96.1Very high74 Ų7458 Ų5828%0.27927%0.274SS..Hα-helixtrans-60.4-44.7177.3-174-179.765.4-165.60.6111.9I207 L241 H242 R243 L247 M248 D249I207-R245 HydrophobicContact CG1-CB 4.2Å; I207-R245 HydrophobicContact CG2-CB 4.4Å; I207-R245 HydrophobicContact CG2-CG 4.23Å; L241-R245 PolarHBondContact O-N 3.45Å; H242-R245 PolarHBondContact ND1-NH2 3.42Å; H242-R245 WeakPolarHBondContact O-CB 3.47Å; H242-R245 PolarHBondContact O-N 3.07Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.28Å; R245-L247 VanDerWaalsContact C-N 3.3Å; R245-L247 PolarHBondContact O-N 3.49Å; R245-M248 WeakPolarHBondContact O-CB 3.05Å; R245-M248 PolarHBondContact O-N 2.91Å; R245-D249 PolarHBondContact O-N 2.93Å
246D97.9Very high96Very high62 Ų6260.8 Ų60.833%0.33229%0.288SS..Hα-helixtrans-64-35.9179-66.1-10.9000112H242 R243 V244 R250H242-D246 VanDerWaalsContact O-CG 3.23Å; H242-D246 PolarHBondContact O-N 3.31Å; R243-D246 PolarHBondContact O-N 2.93Å; V244-D246 PolarHBondContact O-N 3.36Å; D246-R250 WeakPolarHBondContact O-CG 3.34Å
247L97.5Very high96Very high2 Ų263 Ų631%0.0130%0.298CS..Hα-helixtrans-69.6-36.6175-69.2168.1000111.8R243 V244 R245 D249 R250 V253 E257 E261 L262 F277R243-L247 VanDerWaalsContact O-CG 3.29Å; R243-L247 WeakPolarHBondContact O-CG 3.11Å; R243-L247 PolarHBondContact O-N 3.13Å; V244-L247 PolarHBondContact O-N 2.89Å; R245-L247 VanDerWaalsContact C-N 3.3Å; R245-L247 PolarHBondContact O-N 3.49Å; L247-D249 PolarHBondContact O-N 3.36Å; L247-R250 PolarHBondContact O-N 3.15Å; L247-V253 HydrophobicContact CD2-CG1 3.8Å; L247-V253 HydrophobicContact CD2-CG2 4.44Å; L247-V253 WeakPolarHBondContact O-CG2 3.49Å; L247-E257 HydrophobicContact CD2-CG 4.32Å; L247-E261 HydrophobicContact CD1-CB 4.23Å; L247-L262 HydrophobicContact CD1-CD1 3.82Å; L247-L262 HydrophobicContact CD1-CD2 4.11Å; L247-L262 HydrophobicContact CD1-CG 3.83Å; L247-F277 HydrophobicContact CB-CD2 4.05Å; L247-F277 HydrophobicContact CB-CE2 3.46Å; L247-F277 VanDerWaalsContact CB-CE2 3.46Å; L247-F277 HydrophobicContact CB-CZ 4.19Å; L247-F277 HydrophobicContact CD1-CD2 4.35Å; L247-F277 HydrophobicContact CD1-CE2 4.25Å; L247-F277 HydrophobicContact CG-CE2 4.48Å
248M94.3Very high95.9Very high46 Ų4663 Ų6323%0.22730%0.298CS..Hα-helixtrans-61.1-33.4176.3-70.516661.700113P203 I207 V244 R245 R250 L280P203-M248 HydrophobicContact CB-CE 3.91Å; I207-M248 HydrophobicContact CG2-SD 4.43Å; V244-M248 HydrophobicContact CG1-SD 4.22Å; V244-M248 VanDerWaalsContact O-CG 3.29Å; V244-M248 WeakPolarHBondContact O-CG 3.36Å; V244-M248 PolarHBondContact O-N 2.56Å; R245-M248 WeakPolarHBondContact O-CB 3.05Å; R245-M248 PolarHBondContact O-N 2.91Å; M248-R250 VanDerWaalsContact C-N 3.27Å; M248-R250 PolarHBondContact O-N 3.47Å; M248-L280 HydrophobicContact CE-CB 4.28Å; M248-L280 HydrophobicContact CE-CD1 4.32Å; M248-L280 HydrophobicContact CE-CD2 4.1Å; M248-L280 HydrophobicContact CE-CG 4.46Å; M248-L280 HydrophobicContact CG-CB 4.23Å; M248-L280 HydrophobicContact SD-CB 4.01Å; M248-L280 HydrophobicContact SD-CD1 3.56Å; M248-L280 VanDerWaalsContact SD-CD1 3.56Å; M248-L280 HydrophobicContact SD-CD2 4.41Å; M248-L280 HydrophobicContact SD-CG 4.19Å
249D92.9Very high95.9Very high99 Ų9965 Ų6553%0.52931%0.308SS..THydrogen-bonded Turntrans-80.7-7.2-177.9-69.8-17.6000112.9Q204 R245 L247Q204-D249 PolarHBondContact NE2-OD1 3.46Å; R245-D249 PolarHBondContact O-N 2.93Å; L247-D249 PolarHBondContact O-N 3.36Å
250R93.1Very high95.9Very high94 Ų9465.5 Ų65.536%0.35532%0.321SS..SBendtrans-81.8142.1178-64178-159.6-162.38.7111D246 L247 M248 K252 V253 E257 E261D246-R250 WeakPolarHBondContact O-CG 3.34Å; L247-R250 PolarHBondContact O-N 3.15Å; M248-R250 VanDerWaalsContact C-N 3.27Å; M248-R250 PolarHBondContact O-N 3.47Å; R250-K252 PolarHBondContact O-N 3.15Å; R250-V253 HydrophobicContact CB-CG2 3.72Å; R250-E257 IonicContact CZ-OE1 3.16Å; R250-E257 IonicContact NH1-OE1 3.94Å; R250-E257 PolarHBondContact NH1-OE1 2.78Å; R250-E261 IonicContact NH2-OE1 3.41Å
251N83.4Confident95.8Very high167 Ų16766 Ų6689%0.89333%0.325SS*.SBendtrans-67.1-35.1178.1-72.5-30000113.3
252K89.2Confident95.8Very high193 Ų19366 Ų6684%0.83933%0.325SS*.  trans-142.2136.9178.7-67.5-172.4178.1-173.30107.9R250R250-K252 PolarHBondContact O-N 3.15Å
253V93.5Very high95.8Very high22 Ų2263.8 Ų63.813%0.13332%0.318CS..  trans-135.6128.2177.3-174.30000106.9L247 R250 E257 V258 F277L247-V253 HydrophobicContact CD2-CG1 3.8Å; L247-V253 HydrophobicContact CD2-CG2 4.44Å; L247-V253 WeakPolarHBondContact O-CG2 3.49Å; R250-V253 HydrophobicContact CB-CG2 3.72Å; V253-E257 HydrophobicContact CG1-CB 4.33Å; V253-E257 HydrophobicContact CG1-CG 4.28Å; V253-V258 HydrophobicContact CG1-CG2 3.48Å; V253-V258 VanDerWaalsContact CG1-CG2 3.48Å; V253-F277 HydrophobicContact CG1-CZ 4.38Å
254S95.8Very high95.8Very high51 Ų5160.9 Ų60.936%0.35731%0.31SS..  trans-84.7162.517791.10000111.5E256 E257 V258S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 WeakPolarHBondContact CB-OE2 3.47Å; S254-E256 PolarHBondContact O-N 3.36Å; S254-E256 PolarHBondContact OG-N 3.03Å; S254-E256 PolarHBondContact OG-OE2 3.02Å; S254-E257 PolarHBondContact N-OE2 3.28Å; S254-E257 PolarHBondContact O-N 3.22Å; S254-E257 PolarHBondContact OG-N 3.43Å; S254-V258 WeakPolarHBondContact O-CG2 3.36Å; S254-V258 PolarHBondContact O-N 3.47Å
255I96.3Very high95.8Very high41 Ų4162 Ų6221%0.2132%0.321CS..Hα-helixtrans-62.8-42.1176.5-76.6170.5000110.2E257 V258 I259 Y302 A305 L306I255-E257 VanDerWaalsContact C-N 3.3Å; I255-E257 PolarHBondContact O-N 3.3Å; I255-V258 PolarHBondContact O-N 2.99Å; I255-I259 HydrophobicContact CG2-CD1 3.61Å; I255-I259 HydrophobicContact CG2-CG1 4.35Å; I255-I259 VanDerWaalsContact O-CG1 3.31Å; I255-I259 WeakPolarHBondContact O-CG1 3.36Å; I255-I259 PolarHBondContact O-N 3.11Å; I255-Y302 HydrophobicContact CG1-CE2 4.23Å; I255-A305 HydrophobicContact CD1-CB 3.88Å; I255-L306 HydrophobicContact CB-CD2 4.43Å; I255-L306 HydrophobicContact CG1-CD2 4.3Å; I255-L306 HydrophobicContact CG2-CD2 3.95Å
256E96.8Very high95.7Very high128 Ų12864.3 Ų64.360%0.59834%0.338SS*.Hα-helixtrans-64-37.5-179.3-53.874.1-160.900111.5S254 I259 S260S254-E256 VanDerWaalsContact C-N 3.3Å; S254-E256 WeakPolarHBondContact CB-OE2 3.47Å; S254-E256 PolarHBondContact O-N 3.36Å; S254-E256 PolarHBondContact OG-N 3.03Å; S254-E256 PolarHBondContact OG-OE2 3.02Å; E256-I259 PolarHBondContact O-N 3.47Å; E256-S260 VanDerWaalsContact O-CB 3.29Å; E256-S260 WeakPolarHBondContact O-CB 3.25Å; E256-S260 PolarHBondContact O-N 3.18Å
257E97.2Very high95.8Very high55 Ų5562 Ų6226%0.25733%0.327SS..Hα-helixtrans-64.8-42.5175.7-173.7177.4-17300111.4L247 R250 V253 S254 I255 S260 E261L247-E257 HydrophobicContact CD2-CG 4.32Å; R250-E257 IonicContact CZ-OE1 3.16Å; R250-E257 IonicContact NH1-OE1 3.94Å; R250-E257 PolarHBondContact NH1-OE1 2.78Å; V253-E257 HydrophobicContact CG1-CB 4.33Å; V253-E257 HydrophobicContact CG1-CG 4.28Å; S254-E257 PolarHBondContact N-OE2 3.28Å; S254-E257 PolarHBondContact O-N 3.22Å; S254-E257 PolarHBondContact OG-N 3.43Å; I255-E257 VanDerWaalsContact C-N 3.3Å; I255-E257 PolarHBondContact O-N 3.3Å; E257-S260 PolarHBondContact O-N 2.75Å; E257-E261 WeakPolarHBondContact O-CB 3.46Å; E257-E261 WeakPolarHBondContact O-CG 3.49Å; E257-E261 PolarHBondContact O-N 3.42Å
258V98.1Very high95.8Very high0 Ų062 Ų620%033%0.327CS..Hα-helixtrans-64.3-46.5175.6175.10000111.1V253 S254 I255 S260 E261 L262 T274 F277 Y302 L306V253-V258 HydrophobicContact CG1-CG2 3.48Å; V253-V258 VanDerWaalsContact CG1-CG2 3.48Å; S254-V258 WeakPolarHBondContact O-CG2 3.36Å; S254-V258 PolarHBondContact O-N 3.47Å; I255-V258 PolarHBondContact O-N 2.99Å; V258-S260 VanDerWaalsContact C-N 3.29Å; V258-S260 PolarHBondContact O-N 3.33Å; V258-E261 PolarHBondContact O-N 2.81Å; V258-L262 HydrophobicContact CG1-CD1 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.5Å; V258-L262 PolarHBondContact O-N 3.3Å; V258-T274 HydrophobicContact CG1-CG2 4.47Å; V258-F277 HydrophobicContact CB-CE1 4.35Å; V258-F277 HydrophobicContact CG1-CD1 3.78Å; V258-F277 HydrophobicContact CG1-CE1 3.94Å; V258-F277 HydrophobicContact CG2-CD1 4.09Å; V258-F277 HydrophobicContact CG2-CE1 3.39Å; V258-F277 HydrophobicContact CG2-CZ 3.83Å; V258-Y302 WeakPolarHBondContact CG2-OH 3.32Å; V258-L306 HydrophobicContact CB-CD2 4.24Å; V258-L306 HydrophobicContact CG1-CD1 4.19Å; V258-L306 HydrophobicContact CG1-CD2 3.99Å
259I97.9Very high96.1Very high47 Ų4760 Ų6024%0.24132%0.317CS..Hα-helixtrans-60.7-42.1177.2-65.5165.3000110.2I255 E256 G263 N264 L306I255-I259 HydrophobicContact CG2-CD1 3.61Å; I255-I259 HydrophobicContact CG2-CG1 4.35Å; I255-I259 VanDerWaalsContact O-CG1 3.31Å; I255-I259 WeakPolarHBondContact O-CG1 3.36Å; I255-I259 PolarHBondContact O-N 3.11Å; E256-I259 PolarHBondContact O-N 3.47Å; I259-G263 WeakPolarHBondContact O-CA 3.49Å; I259-G263 PolarHBondContact O-N 3.03Å; I259-N264 HydrophobicContact CG1-CB 4.29Å; I259-L306 VanDerWaalsContact CD1-O 3.23Å; I259-L306 WeakPolarHBondContact CD1-O 3.49Å; I259-L306 HydrophobicContact CG1-CD2 4.4Å
260S97.9Very high96.3Very high102 Ų10258.2 Ų58.271%0.71331%0.306SS*.Hα-helixtrans-66.8-38.7179.4-175.20000113.2E256 E257 V258E256-S260 VanDerWaalsContact O-CB 3.29Å; E256-S260 WeakPolarHBondContact O-CB 3.25Å; E256-S260 PolarHBondContact O-N 3.18Å; E257-S260 PolarHBondContact O-N 2.75Å; V258-S260 VanDerWaalsContact C-N 3.29Å; V258-S260 PolarHBondContact O-N 3.33Å
261E97.9Very high96.6Very high54 Ų5453.8 Ų53.825%0.25229%0.289SS..Hα-helixtrans-88.3-33.3-174.4-70.5-92.8-154.500112.6R240 L247 R250 E257 V258R240-E261 PolarHBondContact NH1-O 3.03Å; L247-E261 HydrophobicContact CD1-CB 4.23Å; R250-E261 IonicContact NH2-OE1 3.41Å; E257-E261 WeakPolarHBondContact O-CB 3.46Å; E257-E261 WeakPolarHBondContact O-CG 3.49Å; E257-E261 PolarHBondContact O-N 3.42Å; V258-E261 PolarHBondContact O-N 2.81Å
262L98.5Very high97.3Very high0 Ų045.8 Ų45.80%025%0.246CC..Hα-helixtrans-114.8-26.5-173.4-54.4-173.7000113.4R240 R243 V244 L247 V258 H270 T274 F277R240-L262 VanDerWaalsContact NH1-CA 3.29Å; R240-L262 PolarHBondContact NH1-O 3.46Å; R240-L262 VanDerWaalsContact NH1-O 3.11Å; R243-L262 HydrophobicContact CB-CD2 3.89Å; V244-L262 HydrophobicContact CG2-CD1 3.84Å; V244-L262 HydrophobicContact CG2-CD2 3.85Å; L247-L262 HydrophobicContact CD1-CD1 3.82Å; L247-L262 HydrophobicContact CD1-CD2 4.11Å; L247-L262 HydrophobicContact CD1-CG 3.83Å; V258-L262 HydrophobicContact CG1-CD1 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.5Å; V258-L262 PolarHBondContact O-N 3.3Å; L262-H270 VanDerWaalsContact O-CA 3.32Å; L262-H270 WeakPolarHBondContact O-CA 3.1Å; L262-T274 WeakPolarHBondContact CB-OG1 3.23Å; L262-T274 PolarHBondContact O-OG1 3.34Å; L262-F277 HydrophobicContact CD1-CB 3.52Å; L262-F277 HydrophobicContact CD1-CD1 4.24Å; L262-F277 HydrophobicContact CD1-CD2 4.3Å; L262-F277 HydrophobicContact CD1-CG 3.75Å
263G98.4Very high97.8Very high10 Ų1036.6 Ų36.610%0.10321%0.206CC..  trans82.6169.9-173.100000113.1I259 H270 T274I259-G263 WeakPolarHBondContact O-CA 3.49Å; I259-G263 PolarHBondContact O-N 3.03Å; G263-H270 CarbonylContact C-O 3.43Å; G263-T274 WeakPolarHBondContact O-CB 3.25Å; G263-T274 VanDerWaalsContact O-CG2 3.31Å; G263-T274 WeakPolarHBondContact O-CG2 3.42Å; G263-T274 PolarHBondContact O-OG1 2.86Å
264N98.4Very high98.1Very high32 Ų3235.6 Ų35.617%0.17120%0.2CC..  trans-14631.5179.363.5-18.5000111.5I259 H270 L306 G308 D309 I313I259-N264 HydrophobicContact CG1-CB 4.29Å; N264-H270 WeakPolarHBondContact CA-O 3.49Å; N264-H270 PolarHBondContact N-O 3.01Å; N264-H270 VanDerWaalsContact N-O 3.11Å; N264-L306 PolarHBondContact ND2-O 3.42Å; N264-G308 CarbonylContact O-C 3.5Å; N264-G308 WeakPolarHBondContact O-CA 3.34Å; N264-D309 PolarHBondContact O-N 2.99Å; N264-I313 HydrophobicContact CB-CD1 4.14Å
265G97.9Very high98.2Very high23 Ų2333.1 Ų33.124%0.23718%0.183CC..SBendtrans-120.4175.3-169.400000114.6A267 H270 S271G265-A267 PolarHBondContact O-N 3.41Å; G265-H270 PolarHBondContact N-O 2.82Å; G265-S271 WeakPolarHBondContact O-CB 3.42Å; G265-S271 PolarHBondContact O-OG 3.31Å
266I97.9Very high98.3Very high123 Ų12331.3 Ų31.363%0.63117%0.173SC*.SBendtrans-61.4-11-174.867.7171.1000116.3G144 N145 D309G144-I266 CarbonylContact C-O 3.59Å; G144-I266 VanDerWaalsContact CA-O 3.25Å; G144-I266 WeakPolarHBondContact CA-O 3.37Å; N145-I266 VanDerWaalsContact CG-O 3.26Å; N145-I266 PolarHBondContact N-O 3.23Å; N145-I266 PolarHBondContact OD1-O 3.3Å; I266-D309 VanDerWaalsContact CA-OD2 3.24Å; I266-D309 WeakPolarHBondContact CA-OD2 3.29Å; I266-D309 HydrophobicContact CG2-CB 4.29Å
267A98.6Very high98.4Very high14 Ų1425.2 Ų25.212%0.11615%0.145CC..BIsolated β-bridgetrans-76.8136.1175.100000109.3F143 G265 L269 H270 S271F143-A267 HydrophobicContact CD2-CB 3.96Å; F143-A267 HydrophobicContact CE2-CB 4.1Å; G265-A267 PolarHBondContact O-N 3.41Å; A267-L269 PolarHBondContact O-N 2.9Å; A267-H270 HydrophobicContact CB-CB 4.22Å; A267-H270 CarbonylContact O-C 3.57Å; A267-H270 WeakPolarHBondContact O-CA 3.31Å; A267-H270 PolarHBondContact O-N 3.46Å; A267-S271 PolarHBondContact O-N 3.06Å; A267-S271 PolarHBondContact O-OG 3.22Å
268A98.8Very high98.5Very high0 Ų022.6 Ų22.60%013%0.133CC..G310 helixtrans-57.1-38-179.800000112.7F143 N145 L180 F237 H270 S271 V272F143-A268 PolarHBondContact O-N 3.29Å; N145-A268 HydrophobicContact CB-CB 4.26Å; L180-A268 WeakPolarHBondContact O-CB 3.36Å; F237-A268 HydrophobicContact CZ-CB 4.14Å; A268-H270 PolarHBondContact O-N 3.29Å; A268-S271 PolarHBondContact O-N 3.24Å; A268-V272 HydrophobicContact CB-CG2 4.35Å; A268-V272 WeakPolarHBondContact O-CB 3.5Å; A268-V272 WeakPolarHBondContact O-CG2 3.44Å; A268-V272 PolarHBondContact O-N 3.32Å
269L98.7Very high98.5Very high4 Ų422.6 Ų22.62%0.02113%0.133CC..G310 helixtrans-63.4-24.4175.9-172.660.7000113.4L180 E232 P236 F237 R240 A267 P273L180-L269 HydrophobicContact CD2-CD2 4.4Å; E232-L269 HydrophobicContact CG-CD2 4.16Å; P236-L269 HydrophobicContact CB-CD1 3.78Å; P236-L269 HydrophobicContact CB-CD2 3.79Å; P236-L269 HydrophobicContact CB-CG 4.46Å; F237-L269 HydrophobicContact CD1-CD1 3.89Å; F237-L269 HydrophobicContact CD2-CD1 4.48Å; F237-L269 HydrophobicContact CE1-CB 4.39Å; F237-L269 HydrophobicContact CE1-CD1 4.01Å; F237-L269 HydrophobicContact CG-CD1 4.14Å; F237-L269 HydrophobicContact CZ-CB 4.36Å; F237-L269 HydrophobicContact CZ-CD1 4.34Å; R240-L269 HydrophobicContact CB-CD1 4.47Å; R240-L269 HydrophobicContact CG-CD1 3.66Å; R240-L269 HydrophobicContact CG-CG 4.26Å; A267-L269 PolarHBondContact O-N 2.9Å; L269-P273 WeakPolarHBondContact O-CD 3.47Å
270H98.6Very high98.6Very high63 Ų6320.8 Ų20.829%0.29212%0.124SC..G310 helixtrans-106.310.7-176-61.8172.3000113.8R240 L262 G263 N264 G265 A267 A268R240-H270 PolarHBondContact NH2-CD2 3.49Å; R240-H270 PolarHBondContact NH2-NE2 3.48Å; L262-H270 VanDerWaalsContact O-CA 3.32Å; L262-H270 WeakPolarHBondContact O-CA 3.1Å; G263-H270 CarbonylContact C-O 3.43Å; N264-H270 WeakPolarHBondContact CA-O 3.49Å; N264-H270 PolarHBondContact N-O 3.01Å; N264-H270 VanDerWaalsContact N-O 3.11Å; G265-H270 PolarHBondContact N-O 2.82Å; A267-H270 HydrophobicContact CB-CB 4.22Å; A267-H270 CarbonylContact O-C 3.57Å; A267-H270 WeakPolarHBondContact O-CA 3.31Å; A267-H270 PolarHBondContact O-N 3.46Å; A268-H270 PolarHBondContact O-N 3.29Å
271S98.9Very high98.5Very high0 Ų016.6 Ų16.60%09%0.093CC..THydrogen-bonded Turntrans-140.1-41.3-177.9470000112.6N145 G265 A267 A268 T274 A275N145-S271 VanDerWaalsContact CB-OG 3.26Å; N145-S271 WeakPolarHBondContact CB-OG 3.3Å; N145-S271 PolarHBondContact ND2-OG 3.26Å; N145-S271 VanDerWaalsContact ND2-OG 3.16Å; G265-S271 WeakPolarHBondContact O-CB 3.42Å; G265-S271 PolarHBondContact O-OG 3.31Å; A267-S271 PolarHBondContact O-N 3.06Å; A267-S271 PolarHBondContact O-OG 3.22Å; A268-S271 PolarHBondContact O-N 3.24Å; S271-T274 WeakPolarHBondContact O-CB 3.34Å; S271-T274 PolarHBondContact O-N 3.11Å; S271-A275 WeakPolarHBondContact O-CB 3.23Å; S271-A275 PolarHBondContact O-N 2.9Å
272V98.9Very high98.5Very high0 Ų014 Ų140%08%0.081CC..Hα-helixtrans-65.7-49.6-179.6-1770000112A148 L187 Q188 F237 A268 T274 A275 I276 M316A148-V272 HydrophobicContact CB-CG2 3.57Å; L187-V272 HydrophobicContact CB-CG1 4.08Å; L187-V272 HydrophobicContact CD2-CB 4.48Å; L187-V272 HydrophobicContact CD2-CG1 3.77Å; L187-V272 HydrophobicContact CG-CG1 3.73Å; Q188-V272 HydrophobicContact CB-CG1 4Å; F237-V272 HydrophobicContact CE1-CB 4.49Å; A268-V272 HydrophobicContact CB-CG2 4.35Å; A268-V272 WeakPolarHBondContact O-CB 3.5Å; A268-V272 WeakPolarHBondContact O-CG2 3.44Å; A268-V272 PolarHBondContact O-N 3.32Å; V272-T274 VanDerWaalsContact C-N 3.25Å; V272-T274 PolarHBondContact O-N 2.76Å; V272-A275 PolarHBondContact O-N 3.18Å; V272-I276 HydrophobicContact CG1-CD1 4.25Å; V272-I276 WeakPolarHBondContact O-CG1 3.46Å; V272-I276 PolarHBondContact O-N 3.09Å; V272-I276 VanDerWaalsContact O-N 3.14Å; V272-M316 HydrophobicContact CG2-CE 4.05Å; V272-M316 HydrophobicContact CG2-SD 3.76Å
273P98.9Very high98.5Very high0 Ų015.1 Ų15.10%09%0.087CC..Hα-helixtrans-62.2-34.9175.1-22.135.7000112.5F237 R240 V244 L269 I276 F277F237-P273 HydrophobicContact CD1-CG 4.12Å; F237-P273 HydrophobicContact CE1-CG 4.47Å; R240-P273 HydrophobicContact CB-CB 3.91Å; R240-P273 HydrophobicContact CB-CG 3.73Å; R240-P273 HydrophobicContact CG-CG 4.34Å; V244-P273 HydrophobicContact CG2-CB 4.11Å; L269-P273 WeakPolarHBondContact O-CD 3.47Å; P273-I276 PolarHBondContact O-N 3.11Å; P273-F277 PolarHBondContact O-N 3.36Å
274T98.9Very high98.2Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-63.4-46.9176.6-51.60000111.5V258 L262 G263 S271 V272 I276 F277 C278 L306 I313V258-T274 HydrophobicContact CG1-CG2 4.47Å; L262-T274 WeakPolarHBondContact CB-OG1 3.23Å; L262-T274 PolarHBondContact O-OG1 3.34Å; G263-T274 WeakPolarHBondContact O-CB 3.25Å; G263-T274 VanDerWaalsContact O-CG2 3.31Å; G263-T274 WeakPolarHBondContact O-CG2 3.42Å; G263-T274 PolarHBondContact O-OG1 2.86Å; S271-T274 WeakPolarHBondContact O-CB 3.34Å; S271-T274 PolarHBondContact O-N 3.11Å; V272-T274 VanDerWaalsContact C-N 3.25Å; V272-T274 PolarHBondContact O-N 2.76Å; T274-I276 VanDerWaalsContact C-N 3.31Å; T274-I276 PolarHBondContact O-N 3.39Å; T274-F277 CarbonylContact O-C 3.21Å; T274-F277 WeakPolarHBondContact O-CB 3.35Å; T274-F277 PolarHBondContact O-N 2.86Å; T274-F277 VanDerWaalsContact O-N 3.11Å; T274-C278 PolarHBondContact O-N 3.26Å; T274-C278 PolarHBondContact O-SG 3.5Å; T274-L306 HydrophobicContact CG2-CD1 3.34Å; T274-I313 HydrophobicContact CG2-CD1 4.4Å; T274-I313 HydrophobicContact CG2-CG2 4.36Å
275A98.9Very high98.1Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-59.6-41.4175.600000112.1S271 V272 C278 V279 I313 M316 A317S271-A275 WeakPolarHBondContact O-CB 3.23Å; S271-A275 PolarHBondContact O-N 2.9Å; V272-A275 PolarHBondContact O-N 3.18Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 2.99Å; A275-V279 WeakPolarHBondContact O-CG2 3.48Å; A275-V279 PolarHBondContact O-N 3.16Å; A275-I313 HydrophobicContact CB-CG2 4.26Å; A275-M316 HydrophobicContact CB-CB 3.72Å; A275-M316 HydrophobicContact CB-CE 4.2Å; A275-A317 HydrophobicContact CB-CB 4.04Å
276I98.9Very high97.8Very high2 Ų225.8 Ų25.81%0.0113%0.131CC..Hα-helixtrans-61.9-45174-68.8163.7000110.6L187 A191 F206 I207 L210 L241 V244 V272 P273 T274 C278 V279 L280 I320L187-I276 HydrophobicContact CD1-CD1 3.8Å; L187-I276 HydrophobicContact CD2-CD1 4.02Å; L187-I276 HydrophobicContact CG-CD1 3.76Å; A191-I276 HydrophobicContact CB-CD1 4.09Å; A191-I276 HydrophobicContact CB-CG1 4.02Å; F206-I276 HydrophobicContact CE1-CG2 4.17Å; I207-I276 HydrophobicContact CD1-CG2 4.42Å; L210-I276 HydrophobicContact CD1-CD1 4.11Å; L210-I276 HydrophobicContact CD1-CG2 4.34Å; L241-I276 HydrophobicContact CD2-CD1 4.1Å; V244-I276 HydrophobicContact CG1-CG2 4.47Å; V272-I276 HydrophobicContact CG1-CD1 4.25Å; V272-I276 WeakPolarHBondContact O-CG1 3.46Å; V272-I276 PolarHBondContact O-N 3.09Å; V272-I276 VanDerWaalsContact O-N 3.14Å; P273-I276 PolarHBondContact O-N 3.11Å; T274-I276 VanDerWaalsContact C-N 3.31Å; T274-I276 PolarHBondContact O-N 3.39Å; I276-C278 PolarHBondContact O-N 3.45Å; I276-V279 PolarHBondContact O-N 3.33Å; I276-L280 HydrophobicContact CG2-CD1 3.6Å; I276-L280 HydrophobicContact CG2-CG 4.41Å; I276-L280 WeakPolarHBondContact O-CG 3.16Å; I276-L280 PolarHBondContact O-N 2.64Å; I276-L280 VanDerWaalsContact O-N 3.09Å; I276-I320 HydrophobicContact CG1-CD1 3.85Å
277F98.9Very high97.6Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-60.6-43.7175.9177.2-95.7000111.9V244 L247 V253 V258 L262 P273 T274 V279 L280 H281 Y302V244-F277 HydrophobicContact CG1-CB 4.13Å; V244-F277 HydrophobicContact CG1-CD2 4.22Å; V244-F277 HydrophobicContact CG2-CB 4.2Å; L247-F277 HydrophobicContact CB-CD2 4.05Å; L247-F277 HydrophobicContact CB-CE2 3.46Å; L247-F277 VanDerWaalsContact CB-CE2 3.46Å; L247-F277 HydrophobicContact CB-CZ 4.19Å; L247-F277 HydrophobicContact CD1-CD2 4.35Å; L247-F277 HydrophobicContact CD1-CE2 4.25Å; L247-F277 HydrophobicContact CG-CE2 4.48Å; V253-F277 HydrophobicContact CG1-CZ 4.38Å; V258-F277 HydrophobicContact CB-CE1 4.35Å; V258-F277 HydrophobicContact CG1-CD1 3.78Å; V258-F277 HydrophobicContact CG1-CE1 3.94Å; V258-F277 HydrophobicContact CG2-CD1 4.09Å; V258-F277 HydrophobicContact CG2-CE1 3.39Å; V258-F277 HydrophobicContact CG2-CZ 3.83Å; L262-F277 HydrophobicContact CD1-CB 3.52Å; L262-F277 HydrophobicContact CD1-CD1 4.24Å; L262-F277 HydrophobicContact CD1-CD2 4.3Å; L262-F277 HydrophobicContact CD1-CG 3.75Å; P273-F277 PolarHBondContact O-N 3.36Å; T274-F277 CarbonylContact O-C 3.21Å; T274-F277 WeakPolarHBondContact O-CB 3.35Å; T274-F277 PolarHBondContact O-N 2.86Å; T274-F277 VanDerWaalsContact O-N 3.11Å; F277-V279 PolarHBondContact O-N 3.25Å; F277-L280 PolarHBondContact O-N 3.47Å; F277-H281 HydrophobicContact CD1-CB 4.3Å; F277-H281 HydrophobicContact CE1-CB 3.85Å; F277-H281 AromaticContact CE1-CG 3.97Å; F277-H281 HydrophobicContact CE2-CB 4.34Å; F277-H281 HydrophobicContact CZ-CB 3.89Å; F277-H281 AromaticContact CZ-CG 3.89Å; F277-H281 AromaticContact CZ-ND1 3.84Å; F277-H281 WeakPolarHBondContact O-CB 3.3Å; F277-H281 PolarHBondContact O-N 3Å; F277-Y302 HydrophobicContact CD1-CE1 4.18Å; F277-Y302 AromaticContact CE1-CE1 3.87Å; F277-Y302 HydrophobicContact CE1-CE1 3.87Å
278C98.8Very high97.2Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-54.2-41.5177.2-67.90000112.3T274 A275 I276 C282 T299 Y302 S303 L306 A317T274-C278 PolarHBondContact O-N 3.26Å; T274-C278 PolarHBondContact O-SG 3.5Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 2.99Å; I276-C278 PolarHBondContact O-N 3.45Å; C278-C282 VanDerWaalsContact O-CB 3.23Å; C278-C282 WeakPolarHBondContact O-CB 3.16Å; C278-C282 PolarHBondContact O-N 3.22Å; C278-C282 PolarHBondContact O-SG 2.81Å; C278-T299 HydrophobicContact CB-CG2 4.37Å; C278-Y302 HydrophobicContact CB-CD1 4.12Å; C278-S303 WeakPolarHBondContact CB-OG 3.29Å; C278-S303 PolarHBondContact SG-OG 2.84Å; C278-S303 VanDerWaalsContact SG-OG 3.41Å; C278-L306 WeakPolarHBondContact SG-CD1 3.45Å; C278-A317 HydrophobicContact CB-CB 4.18Å
279V98.8Very high97Very high0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-66.6-53.1177.4-179.50000110.5L200 A275 I276 F277 H281 C282 L283 T299 A317 I320 A321L200-V279 HydrophobicContact CD1-CG1 3.84Å; L200-V279 HydrophobicContact CD2-CG1 4.42Å; A275-V279 WeakPolarHBondContact O-CG2 3.48Å; A275-V279 PolarHBondContact O-N 3.16Å; I276-V279 PolarHBondContact O-N 3.33Å; F277-V279 PolarHBondContact O-N 3.25Å; V279-H281 VanDerWaalsContact C-N 3.31Å; V279-H281 PolarHBondContact O-N 2.85Å; V279-C282 CarbonylContact O-C 3.52Å; V279-C282 PolarHBondContact O-N 3.34Å; V279-L283 WeakPolarHBondContact O-CG 3.44Å; V279-L283 PolarHBondContact O-N 3.43Å; V279-L283 VanDerWaalsContact O-N 3.11Å; V279-T299 HydrophobicContact CG2-CG2 3.84Å; V279-A317 HydrophobicContact CG2-CB 4.12Å; V279-A317 WeakPolarHBondContact CG2-O 3.42Å; V279-I320 HydrophobicContact CB-CG2 4.33Å; V279-I320 HydrophobicContact CG1-CG2 4.01Å; V279-I320 HydrophobicContact CG2-CB 3.86Å; V279-I320 HydrophobicContact CG2-CD1 4.47Å; V279-I320 HydrophobicContact CG2-CG2 3.91Å; V279-A321 HydrophobicContact CG1-CB 4.43Å; V279-A321 HydrophobicContact CG2-CB 4.33Å
280L98.6Very high96.9Very high10 Ų1034.2 Ų34.25%0.05217%0.171CC..Hα-helixtrans-61.3-42.1-177.1-67.8166000111.3L200 P203 F206 I207 V244 M248 I276 F277 C282 L283L200-L280 HydrophobicContact CD2-CD2 3.56Å; L200-L280 HydrophobicContact CD2-CG 4.49Å; P203-L280 HydrophobicContact CB-CD2 3.95Å; F206-L280 HydrophobicContact CD1-CD1 4.45Å; F206-L280 HydrophobicContact CD1-CD2 3.96Å; F206-L280 HydrophobicContact CE1-CD2 4.39Å; I207-L280 HydrophobicContact CD1-CD1 4.32Å; V244-L280 HydrophobicContact CG1-CD1 3.83Å; M248-L280 HydrophobicContact CE-CB 4.28Å; M248-L280 HydrophobicContact CE-CD1 4.32Å; M248-L280 HydrophobicContact CE-CD2 4.1Å; M248-L280 HydrophobicContact CE-CG 4.46Å; M248-L280 HydrophobicContact CG-CB 4.23Å; M248-L280 HydrophobicContact SD-CB 4.01Å; M248-L280 HydrophobicContact SD-CD1 3.56Å; M248-L280 VanDerWaalsContact SD-CD1 3.56Å; M248-L280 HydrophobicContact SD-CD2 4.41Å; M248-L280 HydrophobicContact SD-CG 4.19Å; I276-L280 HydrophobicContact CG2-CD1 3.6Å; I276-L280 HydrophobicContact CG2-CG 4.41Å; I276-L280 WeakPolarHBondContact O-CG 3.16Å; I276-L280 PolarHBondContact O-N 2.64Å; I276-L280 VanDerWaalsContact O-N 3.09Å; F277-L280 PolarHBondContact O-N 3.47Å; L280-C282 VanDerWaalsContact C-N 3.31Å; L280-C282 PolarHBondContact O-N 3.28Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 PolarHBondContact O-N 3.26Å
281H97.3Very high96.7Very high14 Ų1440.9 Ų40.97%0.06520%0.202CC..Hα-helixtrans-64-35.5174.5-169.363.8000111.2F277 V279 R286 Y288 Y302F277-H281 HydrophobicContact CD1-CB 4.3Å; F277-H281 HydrophobicContact CE1-CB 3.85Å; F277-H281 AromaticContact CE1-CG 3.97Å; F277-H281 HydrophobicContact CE2-CB 4.34Å; F277-H281 HydrophobicContact CZ-CB 3.89Å; F277-H281 AromaticContact CZ-CG 3.89Å; F277-H281 AromaticContact CZ-ND1 3.84Å; F277-H281 WeakPolarHBondContact O-CB 3.3Å; F277-H281 PolarHBondContact O-N 3Å; V279-H281 VanDerWaalsContact C-N 3.31Å; V279-H281 PolarHBondContact O-N 2.85Å; H281-R286 VanDerWaalsContact CE1-CZ 3.45Å; H281-R286 PolarHBondContact ND1-NH2 2.74Å; H281-R286 PolarHBondContact O-NE 3.11Å; H281-R286 PolarHBondContact O-NH2 2.89Å; H281-Y288 PolarHBondContact NE2-OH 3.2Å; H281-Y302 AromaticContact CD2-CE1 3.73Å; H281-Y302 AromaticContact CD2-CE2 3.69Å; H281-Y302 AromaticContact CD2-CZ 3.53Å; H281-Y302 AromaticContact NE2-CE2 3.81Å; H281-Y302 AromaticContact NE2-CZ 3.88Å
282C97.7Very high96.4Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-93.36.6-177.2-65.30000115.1C278 V279 L280 Q284 R298 T299 Y302C278-C282 VanDerWaalsContact O-CB 3.23Å; C278-C282 WeakPolarHBondContact O-CB 3.16Å; C278-C282 PolarHBondContact O-N 3.22Å; C278-C282 PolarHBondContact O-SG 2.81Å; V279-C282 CarbonylContact O-C 3.52Å; V279-C282 PolarHBondContact O-N 3.34Å; L280-C282 VanDerWaalsContact C-N 3.31Å; L280-C282 PolarHBondContact O-N 3.28Å; C282-Q284 PolarHBondContact O-N 3.2Å; C282-R298 HydrophobicContact CB-CB 3.84Å; C282-R298 PolarHBondContact O-NE 3.48Å; C282-R298 PolarHBondContact O-NH2 2.88Å; C282-R298 PolarHBondContact SG-O 2.67Å; C282-R298 VanDerWaalsContact SG-O 3.41Å; C282-T299 WeakPolarHBondContact CB-OG1 3.37Å; C282-Y302 VanDerWaalsContact SG-CB 3.53Å
283L96.8Very high96.2Very high23 Ų2347 Ų4712%0.1224%0.235CC..THydrogen-bonded Turntrans-60.1-32.4173.7-68.7-179.1000112.8L200 P203 V279 L280 R298 Y325L200-L283 HydrophobicContact CD2-CD1 4.33Å; P203-L283 HydrophobicContact CB-CD1 3.91Å; P203-L283 HydrophobicContact CG-CD1 3.38Å; V279-L283 WeakPolarHBondContact O-CG 3.44Å; V279-L283 PolarHBondContact O-N 3.43Å; V279-L283 VanDerWaalsContact O-N 3.11Å; L280-L283 HydrophobicContact CD2-CD1 4.21Å; L280-L283 PolarHBondContact O-N 3.26Å; L283-R298 PolarHBondContact O-NH2 3.39Å; L283-Y325 WeakPolarHBondContact CD2-OH 3.13Å
284Q93.7Very high96.1Very high128 Ų12848.2 Ų48.260%0.59825%0.247SC*.SBendtrans-107.4156.3175.4-60.9-56.9-45.400111.2C282 R298C282-Q284 PolarHBondContact O-N 3.2Å; Q284-R298 PolarHBondContact O-NE 3.27Å
285P94.8Very high96.1Very high90 Ų9048.6 Ų48.658%0.58425%0.251SS*.  trans-55.7150.2172-24.334.9000112.3
286R93.3Very high96Very high71 Ų7148.6 Ų48.627%0.26825%0.251SS..  trans-128129.3179.7-60.7-61.9176.1-1771.6109.2H281 Y288 L289H281-R286 VanDerWaalsContact CE1-CZ 3.45Å; H281-R286 PolarHBondContact ND1-NH2 2.74Å; H281-R286 PolarHBondContact O-NE 3.11Å; H281-R286 PolarHBondContact O-NH2 2.89Å; R286-Y288 HydrophobicContact CB-CD1 4.3Å; R286-Y288 HydrophobicContact CB-CE1 3.88Å; R286-Y288 HydrophobicContact CB-CE2 4.22Å; R286-Y288 HydrophobicContact CG-CE1 4.41Å; R286-Y288 PolarHBondContact O-N 3.11Å; R286-Y288 VanDerWaalsContact O-N 3.09Å; R286-L289 HydrophobicContact CB-CB 4.41Å; R286-L289 HydrophobicContact CB-CD1 4.07Å; R286-L289 HydrophobicContact CB-CG 4.27Å; R286-L289 HydrophobicContact CG-CD1 4.38Å; R286-L289 PolarHBondContact O-N 2.87Å
287D92Very high96Very high170 Ų17049.9 Ų49.991%0.90926%0.257SS*.THydrogen-bonded Turntrans-60.4-24.3-172-57.3-17.3000114.1
288Y91.3Very high96Very high98 Ų9851 Ų5138%0.38426%0.261SS..THydrogen-bonded Turntrans-90.6-0.5178.258.3-97.7000113.7M47 H281 R286 Y302M47-Y288 HydrophobicContact CE-CD2 4.02Å; M47-Y288 HydrophobicContact CE-CE2 3.87Å; H281-Y288 PolarHBondContact NE2-OH 3.2Å; R286-Y288 HydrophobicContact CB-CD1 4.3Å; R286-Y288 HydrophobicContact CB-CE1 3.88Å; R286-Y288 HydrophobicContact CB-CE2 4.22Å; R286-Y288 HydrophobicContact CG-CE1 4.41Å; R286-Y288 PolarHBondContact O-N 3.11Å; R286-Y288 VanDerWaalsContact O-N 3.09Å; Y288-Y302 HydrophobicContact CE2-CD2 4.05Å; Y288-Y302 HydrophobicContact CE2-CE2 4.43Å; Y288-Y302 VanDerWaalsContact OH-CD2 3.29Å; Y288-Y302 WeakPolarHBondContact OH-CD2 3.42Å; Y288-Y302 WeakPolarHBondContact OH-CE2 3.48Å
289L95.4Very high96Very high10 Ų1051 Ų515%0.05226%0.261CS..SBendtrans-110.6152.1174.7-66.6175.4000110M47 L51 R286 E291 R298 A301M47-L289 HydrophobicContact CE-CD2 3.99Å; M47-L289 HydrophobicContact CG-CD2 4.44Å; M47-L289 HydrophobicContact SD-CD2 3.55Å; M47-L289 VanDerWaalsContact SD-CD2 3.55Å; L51-L289 HydrophobicContact CD2-CD2 4.16Å; R286-L289 HydrophobicContact CB-CB 4.41Å; R286-L289 HydrophobicContact CB-CD1 4.07Å; R286-L289 HydrophobicContact CB-CG 4.27Å; R286-L289 HydrophobicContact CG-CD1 4.38Å; R286-L289 PolarHBondContact O-N 2.87Å; L289-E291 PolarHBondContact O-N 3.23Å; L289-R298 HydrophobicContact CB-CG 4.41Å; L289-R298 HydrophobicContact CD1-CB 3.74Å; L289-R298 HydrophobicContact CD1-CG 3.72Å; L289-A301 HydrophobicContact CD2-CB 4.11Å
290P95.3Very high96Very high40 Ų4051 Ų5126%0.2626%0.261SS..  trans-57.3135178.2-2534.7000112.7L51 N292 Y293L51-P290 HydrophobicContact CD1-CG 4.43Å; L51-P290 HydrophobicContact CD2-CG 3.95Å; P290-N292 WeakPolarHBondContact CB-OD1 3.26Å; P290-N292 PolarHBondContact O-N 3Å; P290-N292 VanDerWaalsContact O-N 3.13Å; P290-Y293 HydrophobicContact CB-CD1 3.75Å; P290-Y293 HydrophobicContact CB-CE1 3.99Å; P290-Y293 HydrophobicContact CB-CG 4.16Å; P290-Y293 HydrophobicContact CG-CD1 4.02Å; P290-Y293 HydrophobicContact CG-CD2 4.4Å; P290-Y293 HydrophobicContact CG-CE1 3.85Å; P290-Y293 HydrophobicContact CG-CE2 4.24Å; P290-Y293 HydrophobicContact CG-CG 4.3Å; P290-Y293 WeakPolarHBondContact O-CB 3.44Å; P290-Y293 PolarHBondContact O-N 2.96Å
291E93.8Very high96Very high202 Ų20250.5 Ų50.594%0.94426%0.258SS*.THydrogen-bonded Turntrans-60.9-25.1-178.4-67.7-174.117100113.5L289 Y293L289-E291 PolarHBondContact O-N 3.23Å; E291-Y293 VanDerWaalsContact C-N 3.34Å
292N93Very high96Very high120 Ų12049.9 Ų49.964%0.64226%0.256SS*.THydrogen-bonded Turntrans-79.3-13178.764.9-53.9000113.6P290 G294P290-N292 WeakPolarHBondContact CB-OD1 3.26Å; P290-N292 PolarHBondContact O-N 3Å; P290-N292 VanDerWaalsContact O-N 3.13Å; N292-G294 PolarHBondContact O-N 3.08Å
293Y95.8Very high96.1Very high9 Ų949.9 Ų49.94%0.03526%0.256CS..  trans-69.5126.6-179.7-82.120.7000110.5L51 L54 P290 E291 E297 R298 A301L51-Y293 HydrophobicContact CD2-CE2 3.93Å; L54-Y293 WeakPolarHBondContact CB-OH 3.35Å; L54-Y293 HydrophobicContact CD1-CE2 3.99Å; P290-Y293 HydrophobicContact CB-CD1 3.75Å; P290-Y293 HydrophobicContact CB-CE1 3.99Å; P290-Y293 HydrophobicContact CB-CG 4.16Å; P290-Y293 HydrophobicContact CG-CD1 4.02Å; P290-Y293 HydrophobicContact CG-CD2 4.4Å; P290-Y293 HydrophobicContact CG-CE1 3.85Å; P290-Y293 HydrophobicContact CG-CE2 4.24Å; P290-Y293 HydrophobicContact CG-CG 4.3Å; P290-Y293 WeakPolarHBondContact O-CB 3.44Å; P290-Y293 PolarHBondContact O-N 2.96Å; E291-Y293 VanDerWaalsContact C-N 3.34Å; Y293-E297 HydrophobicContact CD1-CB 4.5Å; Y293-E297 HydrophobicContact CD2-CB 3.75Å; Y293-E297 HydrophobicContact CE2-CB 4.3Å; Y293-E297 HydrophobicContact CG-CB 3.86Å; Y293-R298 PolarHBondContact O-NH1 3.1Å; Y293-A301 HydrophobicContact CE2-CB 4.26Å
294G96.8Very high96.2Very high26 Ų2648.8 Ų48.827%0.26825%0.25SC..  trans-66.8174.1166.800000112N292 L296 E297 R298N292-G294 PolarHBondContact O-N 3.08Å; G294-L296 VanDerWaalsContact C-N 3.27Å; G294-L296 PolarHBondContact O-N 3.24Å; G294-E297 VanDerWaalsContact C-OE2 3.24Å; G294-E297 WeakPolarHBondContact CA-OE2 3.41Å; G294-E297 PolarHBondContact N-OE2 3Å; G294-E297 VanDerWaalsContact N-OE2 3.07Å; G294-E297 PolarHBondContact O-N 2.76Å; G294-R298 WeakPolarHBondContact O-CG 3.4Å; G294-R298 PolarHBondContact O-N 3.08Å
295G97.6Very high96.4Very high7 Ų742.9 Ų42.97%0.07222%0.223CC..Hα-helixtrans-64.2-31.9-177.700000113.6T299 Y325G295-T299 WeakPolarHBondContact O-CB 3.25Å; G295-T299 PolarHBondContact O-N 3.4Å; G295-T299 PolarHBondContact O-OG1 3.07Å; G295-Y325 VanDerWaalsContact C-CE2 3.44Å; G295-Y325 WeakPolarHBondContact CA-OH 3.32Å
296L98.4Very high96.6Very high1 Ų138.7 Ų38.71%0.00520%0.195CC..Hα-helixtrans-69-49.2176.317864.2000111.4A28 G294 R298 T299 I300 A321 Y325 A329 V330A28-L296 HydrophobicContact CB-CD1 3.75Å; A28-L296 HydrophobicContact CB-CD2 4.09Å; G294-L296 VanDerWaalsContact C-N 3.27Å; G294-L296 PolarHBondContact O-N 3.24Å; L296-R298 VanDerWaalsContact C-N 3.27Å; L296-R298 PolarHBondContact O-N 3.07Å; L296-T299 PolarHBondContact O-N 3.16Å; L296-T299 VanDerWaalsContact O-N 3.13Å; L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CG-CD1 4.29Å; L296-I300 PolarHBondContact O-N 2.78Å; L296-A321 HydrophobicContact CD1-CB 3.72Å; L296-Y325 HydrophobicContact CB-CD2 4.23Å; L296-A329 HydrophobicContact CB-CB 4.23Å; L296-V330 HydrophobicContact CD2-CB 4.33Å; L296-V330 HydrophobicContact CD2-CG2 3.63Å
297E98.3Very high96.8Very high28 Ų2835.3 Ų35.313%0.13118%0.183CC..Hα-helixtrans-60.7-40179-58.999.7126.700111.1Y293 G294 I300 A301 P331 W334Y293-E297 HydrophobicContact CD1-CB 4.5Å; Y293-E297 HydrophobicContact CD2-CB 3.75Å; Y293-E297 HydrophobicContact CE2-CB 4.3Å; Y293-E297 HydrophobicContact CG-CB 3.86Å; G294-E297 VanDerWaalsContact C-OE2 3.24Å; G294-E297 WeakPolarHBondContact CA-OE2 3.41Å; G294-E297 PolarHBondContact N-OE2 3Å; G294-E297 VanDerWaalsContact N-OE2 3.07Å; G294-E297 PolarHBondContact O-N 2.76Å; E297-I300 PolarHBondContact O-N 2.81Å; E297-A301 VanDerWaalsContact O-CB 3.26Å; E297-A301 WeakPolarHBondContact O-CB 3.29Å; E297-A301 PolarHBondContact O-N 2.95Å; E297-P331 HydrophobicContact CG-CG 3.53Å; E297-W334 HydrophobicContact CB-CH2 3.89Å; E297-W334 HydrophobicContact CB-CZ2 4.4Å; E297-W334 HydrophobicContact CG-CH2 3.94Å; E297-W334 HydrophobicContact CG-CZ2 4.17Å; E297-W334 HydrophobicContact CG-CZ3 4.44Å
298R98.6Very high97.1Very high23 Ų2328 Ų289%0.08715%0.148CC..Hα-helixtrans-61.8-45.3173.6-69.6-167.5-53.8-92.63.2112.2C282 L283 Q284 L289 Y293 G294 L296 A301 Y302C282-R298 HydrophobicContact CB-CB 3.84Å; C282-R298 PolarHBondContact O-NE 3.48Å; C282-R298 PolarHBondContact O-NH2 2.88Å; C282-R298 PolarHBondContact SG-O 2.67Å; C282-R298 VanDerWaalsContact SG-O 3.41Å; L283-R298 PolarHBondContact O-NH2 3.39Å; Q284-R298 PolarHBondContact O-NE 3.27Å; L289-R298 HydrophobicContact CB-CG 4.41Å; L289-R298 HydrophobicContact CD1-CB 3.74Å; L289-R298 HydrophobicContact CD1-CG 3.72Å; Y293-R298 PolarHBondContact O-NH1 3.1Å; G294-R298 WeakPolarHBondContact O-CG 3.4Å; G294-R298 PolarHBondContact O-N 3.08Å; L296-R298 VanDerWaalsContact C-N 3.27Å; L296-R298 PolarHBondContact O-N 3.07Å; R298-A301 PolarHBondContact O-N 3.16Å; R298-Y302 VanDerWaalsContact O-CB 3.26Å; R298-Y302 WeakPolarHBondContact O-CB 3.44Å; R298-Y302 PolarHBondContact O-N 3.38Å
299T98.8Very high97.4Very high0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-60.4-46.3178.6-68.10000111.7C278 V279 C282 G295 L296 S303 A317 A321C278-T299 HydrophobicContact CB-CG2 4.37Å; V279-T299 HydrophobicContact CG2-CG2 3.84Å; C282-T299 WeakPolarHBondContact CB-OG1 3.37Å; G295-T299 WeakPolarHBondContact O-CB 3.25Å; G295-T299 PolarHBondContact O-N 3.4Å; G295-T299 PolarHBondContact O-OG1 3.07Å; L296-T299 PolarHBondContact O-N 3.16Å; L296-T299 VanDerWaalsContact O-N 3.13Å; T299-S303 WeakPolarHBondContact O-CB 3.33Å; T299-S303 PolarHBondContact O-N 2.83Å; T299-S303 PolarHBondContact O-OG 2.71Å; T299-A317 HydrophobicContact CG2-CB 3.69Å; T299-A321 HydrophobicContact CG2-CB 4.03Å
300I98.7Very high97.6Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-64.4-53.9178-67176.5000109.4L31 L296 E297 Y302 S303 L304 W334L31-I300 HydrophobicContact CB-CD1 4.19Å; L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CG-CD1 4.29Å; L296-I300 PolarHBondContact O-N 2.78Å; E297-I300 PolarHBondContact O-N 2.81Å; I300-Y302 VanDerWaalsContact C-N 3.28Å; I300-Y302 PolarHBondContact O-N 3.07Å; I300-S303 WeakPolarHBondContact O-CB 3.46Å; I300-S303 PolarHBondContact O-N 3.42Å; I300-L304 HydrophobicContact CG2-CD1 3.89Å; I300-L304 HydrophobicContact CG2-CD2 4.42Å; I300-L304 WeakPolarHBondContact O-CD1 3.21Å; I300-L304 PolarHBondContact O-N 3.39Å; I300-L304 VanDerWaalsContact O-N 3.08Å; I300-W334 HydrophobicContact CB-CZ3 4.13Å; I300-W334 HydrophobicContact CD1-CE3 4.36Å; I300-W334 HydrophobicContact CD1-CZ3 3.93Å; I300-W334 HydrophobicContact CG2-CZ3 4.02Å
301A98.6Very high97.7Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-54-43.8-18000000113V50 L54 L289 Y293 E297 R298 L304 A305V50-A301 HydrophobicContact CG1-CB 4.11Å; L54-A301 HydrophobicContact CD1-CB 3.6Å; L289-A301 HydrophobicContact CD2-CB 4.11Å; Y293-A301 HydrophobicContact CE2-CB 4.26Å; E297-A301 VanDerWaalsContact O-CB 3.26Å; E297-A301 WeakPolarHBondContact O-CB 3.29Å; E297-A301 PolarHBondContact O-N 2.95Å; R298-A301 PolarHBondContact O-N 3.16Å; A301-L304 PolarHBondContact O-N 2.99Å; A301-A305 PolarHBondContact O-N 3.22Å
302Y98.6Very high98Very high2 Ų212.1 Ų12.11%0.0087%0.074CC..Hα-helixtrans-66.9-39.7178-172.6-102.1000112.7M47 I255 V258 F277 C278 H281 C282 Y288 R298 I300 L304 A305 L306M47-Y302 HydrophobicContact CE-CD2 4.41Å; I255-Y302 HydrophobicContact CG1-CE2 4.23Å; V258-Y302 WeakPolarHBondContact CG2-OH 3.32Å; F277-Y302 HydrophobicContact CD1-CE1 4.18Å; F277-Y302 AromaticContact CE1-CE1 3.87Å; F277-Y302 HydrophobicContact CE1-CE1 3.87Å; C278-Y302 HydrophobicContact CB-CD1 4.12Å; H281-Y302 AromaticContact CD2-CE1 3.73Å; H281-Y302 AromaticContact CD2-CE2 3.69Å; H281-Y302 AromaticContact CD2-CZ 3.53Å; H281-Y302 AromaticContact NE2-CE2 3.81Å; H281-Y302 AromaticContact NE2-CZ 3.88Å; C282-Y302 VanDerWaalsContact SG-CB 3.53Å; Y288-Y302 HydrophobicContact CE2-CD2 4.05Å; Y288-Y302 HydrophobicContact CE2-CE2 4.43Å; Y288-Y302 VanDerWaalsContact OH-CD2 3.29Å; Y288-Y302 WeakPolarHBondContact OH-CD2 3.42Å; Y288-Y302 WeakPolarHBondContact OH-CE2 3.48Å; R298-Y302 VanDerWaalsContact O-CB 3.26Å; R298-Y302 WeakPolarHBondContact O-CB 3.44Å; R298-Y302 PolarHBondContact O-N 3.38Å; I300-Y302 VanDerWaalsContact C-N 3.28Å; I300-Y302 PolarHBondContact O-N 3.07Å; Y302-L304 VanDerWaalsContact C-N 3.32Å; Y302-L304 PolarHBondContact O-N 3.39Å; Y302-A305 PolarHBondContact O-N 2.9Å; Y302-L306 HydrophobicContact CE1-CD1 4.38Å; Y302-L306 HydrophobicContact CE1-CD2 4.13Å; Y302-L306 HydrophobicContact CE1-CG 4.43Å; Y302-L306 PolarHBondContact O-N 3.43Å
303S98.7Very high98.3Very high0 Ų06.4 Ų6.40%04%0.043CC..Hα-helixtrans-60.9-42.2177.7-570000111.8C278 T299 I300 A305 L306C278-S303 WeakPolarHBondContact CB-OG 3.29Å; C278-S303 PolarHBondContact SG-OG 2.84Å; C278-S303 VanDerWaalsContact SG-OG 3.41Å; T299-S303 WeakPolarHBondContact O-CB 3.33Å; T299-S303 PolarHBondContact O-N 2.83Å; T299-S303 PolarHBondContact O-OG 2.71Å; I300-S303 WeakPolarHBondContact O-CB 3.46Å; I300-S303 PolarHBondContact O-N 3.42Å; S303-A305 VanDerWaalsContact C-N 3.34Å; S303-A305 PolarHBondContact O-N 3.37Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.41Å
304L98.6Very high98.4Very high0 Ų06 Ų60%04%0.042CC..Hα-helixtrans-63.2-40.8177.6-85.351.9000111.9V35 F39 V45 V50 I300 A301 Y302 L306 G307 A314V35-L304 HydrophobicContact CG1-CD2 3.84Å; F39-L304 HydrophobicContact CD2-CD2 4.02Å; F39-L304 HydrophobicContact CD2-CG 4.12Å; F39-L304 HydrophobicContact CE2-CD2 3.94Å; V45-L304 WeakPolarHBondContact CB-O 3.4Å; V45-L304 WeakPolarHBondContact CG1-O 3.41Å; V50-L304 HydrophobicContact CG1-CB 3.91Å; V50-L304 HydrophobicContact CG1-CD2 3.86Å; V50-L304 HydrophobicContact CG2-CB 3.91Å; I300-L304 HydrophobicContact CG2-CD1 3.89Å; I300-L304 HydrophobicContact CG2-CD2 4.42Å; I300-L304 WeakPolarHBondContact O-CD1 3.21Å; I300-L304 PolarHBondContact O-N 3.39Å; I300-L304 VanDerWaalsContact O-N 3.08Å; A301-L304 PolarHBondContact O-N 2.99Å; Y302-L304 VanDerWaalsContact C-N 3.32Å; Y302-L304 PolarHBondContact O-N 3.39Å; L304-L306 PolarHBondContact O-N 2.76Å; L304-G307 PolarHBondContact O-N 3.05Å; L304-A314 HydrophobicContact CD1-CB 3.58Å
305A98.3Very high98.5Very high3 Ų34.8 Ų4.83%0.0253%0.03CC..Hα-helixtrans-68.1-13-178.900000113.8M47 V50 I255 A301 Y302 S303M47-A305 HydrophobicContact CE-CB 3.29Å; M47-A305 HydrophobicContact SD-CB 4.11Å; V50-A305 HydrophobicContact CG2-CB 4.28Å; I255-A305 HydrophobicContact CD1-CB 3.88Å; A301-A305 PolarHBondContact O-N 3.22Å; Y302-A305 PolarHBondContact O-N 2.9Å; S303-A305 VanDerWaalsContact C-N 3.34Å; S303-A305 PolarHBondContact O-N 3.37Å
306L98.2Very high98.6Very high2 Ų24.5 Ų4.51%0.013%0.026CC..THydrogen-bonded Turntrans-74.4-14.8172-61.2-178.7000112.7I255 V258 I259 N264 T274 C278 Y302 S303 L304I255-L306 HydrophobicContact CB-CD2 4.43Å; I255-L306 HydrophobicContact CG1-CD2 4.3Å; I255-L306 HydrophobicContact CG2-CD2 3.95Å; V258-L306 HydrophobicContact CB-CD2 4.24Å; V258-L306 HydrophobicContact CG1-CD1 4.19Å; V258-L306 HydrophobicContact CG1-CD2 3.99Å; I259-L306 VanDerWaalsContact CD1-O 3.23Å; I259-L306 WeakPolarHBondContact CD1-O 3.49Å; I259-L306 HydrophobicContact CG1-CD2 4.4Å; N264-L306 PolarHBondContact ND2-O 3.42Å; T274-L306 HydrophobicContact CG2-CD1 3.34Å; C278-L306 WeakPolarHBondContact SG-CD1 3.45Å; Y302-L306 HydrophobicContact CE1-CD1 4.38Å; Y302-L306 HydrophobicContact CE1-CD2 4.13Å; Y302-L306 HydrophobicContact CE1-CG 4.43Å; Y302-L306 PolarHBondContact O-N 3.43Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.41Å; L304-L306 PolarHBondContact O-N 2.76Å
307G98.1Very high98.6Very high0 Ų04.5 Ų4.50%03%0.026CC..  trans61.3-165.3-175.600000113.4L304 D309 T310L304-G307 PolarHBondContact O-N 3.05Å; G307-D309 PolarHBondContact O-N 3.13Å; G307-T310 VanDerWaalsContact C-CG2 3.48Å
308G98.3Very high98.6Very high18 Ų183.1 Ų3.119%0.1862%0.02CC..SBendtrans69.9-123.6-178.100000112.2G41 A42 N264 T310G41-G308 PolarHBondContact N-O 3.46Å; A42-G308 PolarHBondContact O-N 3.49Å; N264-G308 CarbonylContact O-C 3.5Å; N264-G308 WeakPolarHBondContact O-CA 3.34Å; G308-T310 VanDerWaalsContact C-N 3.27Å; G308-T310 PolarHBondContact O-N 2.92Å; G308-T310 VanDerWaalsContact O-N 3.08Å
309D98.5Very high98.7Very high7 Ų72.1 Ų2.14%0.0372%0.016CC..SBendtrans-85.666.7-178.4-170.2-1.9000111.2N145 N264 I266 G307 T312 I313N145-D309 PolarHBondContact ND2-OD2 3.18Å; N264-D309 PolarHBondContact O-N 2.99Å; I266-D309 VanDerWaalsContact CA-OD2 3.24Å; I266-D309 WeakPolarHBondContact CA-OD2 3.29Å; I266-D309 HydrophobicContact CG2-CB 4.29Å; G307-D309 PolarHBondContact O-N 3.13Å; D309-T312 WeakPolarHBondContact OD1-CB 3.15Å; D309-T312 PolarHBondContact OD1-OG1 3.04Å; D309-T312 PolarHBondContact OD2-OG1 3.07Å; D309-I313 WeakPolarHBondContact O-CB 3.33Å; D309-I313 WeakPolarHBondContact O-CD1 3.18Å; D309-I313 WeakPolarHBondContact O-CG1 3.04Å; D309-I313 PolarHBondContact O-N 3.32Å; D309-I313 VanDerWaalsContact O-N 3.08Å
310T98.6Very high98.7Very high0 Ų02.1 Ų2.10%02%0.016CC..Hα-helixtrans-70.7-37.8-166.845.10000113.7G36 F39 E40 G307 G308 A314G36-T310 PolarHBondContact O-OG1 3.04Å; F39-T310 HydrophobicContact CB-CG2 4.09Å; F39-T310 PolarHBondContact O-OG1 3.38Å; E40-T310 VanDerWaalsContact CA-OG1 3.3Å; E40-T310 WeakPolarHBondContact CA-OG1 3.41Å; E40-T310 PolarHBondContact N-OG1 3.5Å; E40-T310 VanDerWaalsContact N-OG1 3.12Å; G307-T310 VanDerWaalsContact C-CG2 3.48Å; G308-T310 VanDerWaalsContact C-N 3.27Å; G308-T310 PolarHBondContact O-N 2.92Å; G308-T310 VanDerWaalsContact O-N 3.08Å; T310-A314 WeakPolarHBondContact O-CB 3.06Å; T310-A314 PolarHBondContact O-N 3.41Å
311D98.6Very high98.7Very high2 Ų22.1 Ų2.11%0.0112%0.016CC..Hα-helixtrans-62.9-50.4176.263.9-33000110.5S70 I313 A314 C315S70-D311 PolarHBondContact OG-OD2 2.86Å; S70-D311 VanDerWaalsContact OG-OD2 3.04Å; D311-I313 PolarHBondContact O-N 2.82Å; D311-A314 PolarHBondContact O-N 3.17Å; D311-C315 WeakPolarHBondContact O-CB 3.28Å; D311-C315 PolarHBondContact O-N 3.02Å
312T98.9Very high98.7Very high6 Ų62.1 Ų2.14%0.0372%0.016CC..Hα-helixtrans-66.9-43.7-177.9-51.50000112.4D72 N145 M149 D309 C315 M316D72-T312 VanDerWaalsContact OD2-CA 3.3Å; D72-T312 WeakPolarHBondContact OD2-CA 3.36Å; N145-T312 HydrophobicContact CB-CG2 4.21Å; N145-T312 VanDerWaalsContact ND2-CG2 3.3Å; N145-T312 WeakPolarHBondContact ND2-CG2 3.34Å; M149-T312 HydrophobicContact CB-CG2 3.65Å; D309-T312 WeakPolarHBondContact OD1-CB 3.15Å; D309-T312 PolarHBondContact OD1-OG1 3.04Å; D309-T312 PolarHBondContact OD2-OG1 3.07Å; T312-C315 PolarHBondContact O-N 3.02Å; T312-M316 HydrophobicContact CG2-CE 3.95Å; T312-M316 HydrophobicContact CG2-SD 4.42Å; T312-M316 WeakPolarHBondContact O-CB 3.46Å; T312-M316 WeakPolarHBondContact O-CG 3.47Å; T312-M316 PolarHBondContact O-N 2.89Å
313I98.9Very high98.7Very high0 Ų02 Ų20%02%0.016CC..Hα-helixtrans-64.5-44.9178.3-67.9168.8000110.4N264 T274 A275 D309 D311 M316 A317N264-I313 HydrophobicContact CB-CD1 4.14Å; T274-I313 HydrophobicContact CG2-CD1 4.4Å; T274-I313 HydrophobicContact CG2-CG2 4.36Å; A275-I313 HydrophobicContact CB-CG2 4.26Å; D309-I313 WeakPolarHBondContact O-CB 3.33Å; D309-I313 WeakPolarHBondContact O-CD1 3.18Å; D309-I313 WeakPolarHBondContact O-CG1 3.04Å; D309-I313 PolarHBondContact O-N 3.32Å; D309-I313 VanDerWaalsContact O-N 3.08Å; D311-I313 PolarHBondContact O-N 2.82Å; I313-M316 PolarHBondContact O-N 3.28Å; I313-A317 VanDerWaalsContact O-CB 3.23Å; I313-A317 WeakPolarHBondContact O-CB 3.26Å; I313-A317 PolarHBondContact O-N 3.08Å
314A98.9Very high98.7Very high0 Ų02.8 Ų2.80%02%0.019CC..Hα-helixtrans-69.6-35.8179.300000112.4G32 L304 T310 D311 G318G32-A314 WeakPolarHBondContact O-CB 3.26Å; L304-A314 HydrophobicContact CD1-CB 3.58Å; T310-A314 WeakPolarHBondContact O-CB 3.06Å; T310-A314 PolarHBondContact O-N 3.41Å; D311-A314 PolarHBondContact O-N 3.17Å; A314-G318 WeakPolarHBondContact O-CA 3.35Å; A314-G318 PolarHBondContact O-N 3.2Å
315C98.9Very high98.7Very high2 Ų24.6 Ų4.61%0.0143%0.026CC..Hα-helixtrans-58.8-51.2172.6173.10000110.9A29 D33 D72 D311 T312 G318 A319A29-C315 WeakPolarHBondContact CA-O 3.34Å; A29-C315 WeakPolarHBondContact O-CA 3.4Å; D33-C315 HydrophobicContact CB-CB 4.16Å; D72-C315 VanDerWaalsContact OD2-CB 3.31Å; D72-C315 WeakPolarHBondContact OD2-CB 3.32Å; D72-C315 PolarHBondContact OD2-SG 2.69Å; D72-C315 VanDerWaalsContact OD2-SG 3.42Å; D311-C315 WeakPolarHBondContact O-CB 3.28Å; D311-C315 PolarHBondContact O-N 3.02Å; T312-C315 PolarHBondContact O-N 3.02Å; C315-G318 PolarHBondContact O-N 2.97Å; C315-A319 PolarHBondContact O-N 3.08Å
316M98.9Very high98.6Very high1 Ų14.4 Ų4.41%0.0053%0.025CC..Hα-helixtrans-65.4-44.5178.8-71.9-170.5-5900112.7A148 Q188 V272 A275 T312 I313 A319 I320A148-M316 HydrophobicContact CB-SD 3.63Å; Q188-M316 HydrophobicContact CG-CB 4.48Å; Q188-M316 HydrophobicContact CG-CG 4.09Å; Q188-M316 HydrophobicContact CG-SD 4.13Å; Q188-M316 PolarHBondContact NE2-O 3.41Å; V272-M316 HydrophobicContact CG2-CE 4.05Å; V272-M316 HydrophobicContact CG2-SD 3.76Å; A275-M316 HydrophobicContact CB-CB 3.72Å; A275-M316 HydrophobicContact CB-CE 4.2Å; T312-M316 HydrophobicContact CG2-CE 3.95Å; T312-M316 HydrophobicContact CG2-SD 4.42Å; T312-M316 WeakPolarHBondContact O-CB 3.46Å; T312-M316 WeakPolarHBondContact O-CG 3.47Å; T312-M316 PolarHBondContact O-N 2.89Å; I313-M316 PolarHBondContact O-N 3.28Å; M316-A319 PolarHBondContact O-N 3.08Å; M316-I320 WeakPolarHBondContact O-CG1 3.46Å; M316-I320 PolarHBondContact O-N 3.09Å
317A98.9Very high98.6Very high0 Ų05 Ų50%03%0.028CC..Hα-helixtrans-66.3-40.617800000111.2A275 C278 V279 T299 I313 I320 A321A275-A317 HydrophobicContact CB-CB 4.04Å; C278-A317 HydrophobicContact CB-CB 4.18Å; V279-A317 HydrophobicContact CG2-CB 4.12Å; V279-A317 WeakPolarHBondContact CG2-O 3.42Å; T299-A317 HydrophobicContact CG2-CB 3.69Å; I313-A317 VanDerWaalsContact O-CB 3.23Å; I313-A317 WeakPolarHBondContact O-CB 3.26Å; I313-A317 PolarHBondContact O-N 3.08Å; A317-I320 PolarHBondContact O-N 2.65Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 2.93Å
318G98.9Very high98.6Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-58.7-45.9174.100000111.6A28 A314 C315 I320 A321 G322A28-G318 WeakPolarHBondContact CB-O 3.25Å; A314-G318 WeakPolarHBondContact O-CA 3.35Å; A314-G318 PolarHBondContact O-N 3.2Å; C315-G318 PolarHBondContact O-N 2.97Å; G318-I320 VanDerWaalsContact C-N 3.34Å; G318-I320 PolarHBondContact O-N 2.73Å; G318-A321 PolarHBondContact O-N 2.85Å; G318-G322 WeakPolarHBondContact O-CA 3.48Å; G318-G322 PolarHBondContact O-N 3.46Å
319A98.9Very high98.5Very high1 Ų111.8 Ų11.81%0.0086%0.059CC..Hα-helixtrans-57.7-44.8176.300000112.8A25 A29 A152 V192 C315 M316 A323A25-A319 WeakPolarHBondContact O-CA 3.39Å; A29-A319 HydrophobicContact CB-CB 3.97Å; A152-A319 HydrophobicContact CB-CB 3.85Å; V192-A319 HydrophobicContact CG2-CB 3.98Å; C315-A319 PolarHBondContact O-N 3.08Å; M316-A319 PolarHBondContact O-N 3.08Å; A319-A323 WeakPolarHBondContact O-CB 3.31Å; A319-A323 PolarHBondContact O-N 3.47Å; A319-A323 VanDerWaalsContact O-N 3.08Å
320I98.9Very high98.4Very high1 Ų111.8 Ų11.81%0.0056%0.059CC..Hα-helixtrans-69.2-47.5179.5-60.1162.6000110.5A191 V192 S195 L200 F206 I276 V279 M316 A317 G318 A323 H324A191-I320 HydrophobicContact CB-CD1 3.73Å; A191-I320 HydrophobicContact CB-CG1 3.98Å; V192-I320 HydrophobicContact CG2-CG1 3.8Å; S195-I320 PolarHBondContact OG-O 3.15Å; L200-I320 HydrophobicContact CD1-CG2 3.95Å; F206-I320 HydrophobicContact CZ-CG2 4.43Å; I276-I320 HydrophobicContact CG1-CD1 3.85Å; V279-I320 HydrophobicContact CB-CG2 4.33Å; V279-I320 HydrophobicContact CG1-CG2 4.01Å; V279-I320 HydrophobicContact CG2-CB 3.86Å; V279-I320 HydrophobicContact CG2-CD1 4.47Å; V279-I320 HydrophobicContact CG2-CG2 3.91Å; M316-I320 WeakPolarHBondContact O-CG1 3.46Å; M316-I320 PolarHBondContact O-N 3.09Å; A317-I320 PolarHBondContact O-N 2.65Å; G318-I320 VanDerWaalsContact C-N 3.34Å; G318-I320 PolarHBondContact O-N 2.73Å; I320-A323 PolarHBondContact O-N 3.21Å; I320-H324 PolarHBondContact O-N 2.94Å
321A98.9Very high98.2Very high0 Ų012.7 Ų12.70%07%0.065CC..Hα-helixtrans-66-40.9179.700000111.9V279 L296 T299 A317 G318 A323 H324 Y325V279-A321 HydrophobicContact CG1-CB 4.43Å; V279-A321 HydrophobicContact CG2-CB 4.33Å; L296-A321 HydrophobicContact CD1-CB 3.72Å; T299-A321 HydrophobicContact CG2-CB 4.03Å; A317-A321 WeakPolarHBondContact O-CB 3.38Å; A317-A321 PolarHBondContact O-N 2.93Å; G318-A321 PolarHBondContact O-N 2.85Å; A321-A323 PolarHBondContact O-N 3.19Å; A321-H324 WeakPolarHBondContact O-CA 3.35Å; A321-H324 WeakPolarHBondContact O-CB 3.24Å; A321-H324 PolarHBondContact O-N 3.48Å; A321-Y325 HydrophobicContact CB-CD2 4.18Å; A321-Y325 HydrophobicContact CB-CE2 4.25Å; A321-Y325 WeakPolarHBondContact O-CD2 3.43Å; A321-Y325 PolarHBondContact O-N 2.83Å
322G98.8Very high98Very high0 Ų017.8 Ų17.80%09%0.089CC..Hα-helixtrans-62.9-39.9175.800000112.5G24 G318 H324 G326G24-G322 VanDerWaalsContact C-C 3.47Å; G24-G322 VanDerWaalsContact C-CA 3.47Å; G24-G322 WeakPolarHBondContact O-CA 3.21Å; G318-G322 WeakPolarHBondContact O-CA 3.48Å; G318-G322 PolarHBondContact O-N 3.46Å; G322-H324 PolarHBondContact O-N 2.97Å; G322-G326 WeakPolarHBondContact O-CA 3.38Å; G322-G326 PolarHBondContact O-N 3.33Å
323A98.8Very high97.6Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-62.2-27.4170.600000113.2R21 A25 V192 S195 L196 A319 I320 A321R21-A323 WeakPolarHBondContact CB-O 3.5Å; R21-A323 WeakPolarHBondContact CD-O 3.43Å; R21-A323 WeakPolarHBondContact CG-O 3.43Å; R21-A323 PolarHBondContact NH1-O 2.72Å; A25-A323 HydrophobicContact CB-CB 3.94Å; V192-A323 HydrophobicContact CG1-CB 4.47Å; S195-A323 WeakPolarHBondContact OG-CB 3.5Å; L196-A323 HydrophobicContact CD1-CB 3.48Å; L196-A323 VanDerWaalsContact CD1-CB 3.48Å; L196-A323 HydrophobicContact CG-CB 4.07Å; A319-A323 WeakPolarHBondContact O-CB 3.31Å; A319-A323 PolarHBondContact O-N 3.47Å; A319-A323 VanDerWaalsContact O-N 3.08Å; I320-A323 PolarHBondContact O-N 3.21Å; A321-A323 PolarHBondContact O-N 3.19Å
324H98.3Very high97.4Very high15 Ų1520.3 Ų20.37%0.06910%0.098CC..Hα-helixtrans-83.4-50.2179.6-177.356000112.7R21 S195 L200 I320 A321 G322R21-H324 VanDerWaalsContact NH1-C 3.33Å; R21-H324 VanDerWaalsContact NH1-CA 3.34Å; R21-H324 PolarHBondContact NH1-O 2.81Å; S195-H324 WeakPolarHBondContact OG-CA 3.42Å; S195-H324 WeakPolarHBondContact OG-CB 3.41Å; S195-H324 PolarHBondContact OG-N 2.9Å; S195-H324 VanDerWaalsContact OG-N 3.11Å; L200-H324 WeakPolarHBondContact CB-ND1 3.42Å; L200-H324 HydrophobicContact CD1-CB 3.74Å; I320-H324 PolarHBondContact O-N 2.94Å; A321-H324 WeakPolarHBondContact O-CA 3.35Å; A321-H324 WeakPolarHBondContact O-CB 3.24Å; A321-H324 PolarHBondContact O-N 3.48Å; G322-H324 PolarHBondContact O-N 2.97Å
325Y98.2Very high97.2Very high38 Ų3821.2 Ų21.215%0.14910%0.102CC..Hα-helixtrans-90.5-22.1-172-63.6-67000113.4V12 L283 G295 L296 A321 A329V12-Y325 HydrophobicContact CG1-CD1 3.94Å; L283-Y325 WeakPolarHBondContact CD2-OH 3.13Å; G295-Y325 VanDerWaalsContact C-CE2 3.44Å; G295-Y325 WeakPolarHBondContact CA-OH 3.32Å; L296-Y325 HydrophobicContact CB-CD2 4.23Å; A321-Y325 HydrophobicContact CB-CD2 4.18Å; A321-Y325 HydrophobicContact CB-CE2 4.25Å; A321-Y325 WeakPolarHBondContact O-CD2 3.43Å; A321-Y325 PolarHBondContact O-N 2.83Å; Y325-A329 VanDerWaalsContact CB-CB 3.42Å; Y325-A329 HydrophobicContact CG-CB 4.29Å
326G98.1Very high96.9Very high0 Ų027.1 Ų27.10%012%0.124CC..  trans79.9174-176.600000113.8S20 G322 E328 A329S20-G326 WeakPolarHBondContact O-CA 3.33Å; S20-G326 VanDerWaalsContact OG-CA 3.24Å; S20-G326 WeakPolarHBondContact OG-CA 3.34Å; G322-G326 WeakPolarHBondContact O-CA 3.38Å; G322-G326 PolarHBondContact O-N 3.33Å; G326-E328 PolarHBondContact O-N 3.41Å; G326-A329 PolarHBondContact O-N 2.87Å
327I98Very high96.7Very high15 Ų1527.7 Ų27.78%0.07713%0.128CC..G310 helixtrans-62.2-23.2-178.3-166.960.1000112.9S20 R23 V27 A329 V330S20-I327 PolarHBondContact O-N 3.15Å; S20-I327 PolarHBondContact OG-N 2.93Å; R23-I327 HydrophobicContact CB-CB 3.8Å; R23-I327 HydrophobicContact CB-CD1 4.12Å; R23-I327 HydrophobicContact CB-CG1 4Å; R23-I327 HydrophobicContact CB-CG2 4.35Å; V27-I327 HydrophobicContact CB-CD1 4.01Å; V27-I327 HydrophobicContact CG1-CD1 4.17Å; V27-I327 HydrophobicContact CG2-CD1 3.94Å; I327-A329 PolarHBondContact O-N 2.57Å; I327-V330 HydrophobicContact CD1-CB 4.13Å; I327-V330 HydrophobicContact CD1-CG2 3.93Å; I327-V330 WeakPolarHBondContact O-CB 3.41Å; I327-V330 PolarHBondContact O-N 2.96Å; I327-V330 VanDerWaalsContact O-N 3.07Å
328E97.1Very high96.5Very high136 Ų13628.1 Ų28.164%0.63613%0.131SC*.G310 helixtrans-66.6-21.1178.7-62.178.2-172.500112.9S20 G326S20-E328 WeakPolarHBondContact CB-OE1 3.47Å; S20-E328 WeakPolarHBondContact CB-OE2 3.25Å; S20-E328 PolarHBondContact OG-OE1 3.13Å; S20-E328 PolarHBondContact OG-OE2 3.33Å; G326-E328 PolarHBondContact O-N 3.41Å
329A96.7Very high96.5Very high24 Ų2430.7 Ų30.720%0.19814%0.143CC..G310 helixtrans-87.9-7174.600000113.5L296 Y325 G326 I327 P331L296-A329 HydrophobicContact CB-CB 4.23Å; Y325-A329 VanDerWaalsContact CB-CB 3.42Å; Y325-A329 HydrophobicContact CG-CB 4.29Å; G326-A329 PolarHBondContact O-N 2.87Å; I327-A329 PolarHBondContact O-N 2.57Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å
330V96.6Very high96.4Very high6 Ų631.5 Ų31.54%0.03615%0.152CC..SBendtrans-79.4120.6178.1175.80000110.1V27 L31 L296 I327 Q332 M335V27-V330 HydrophobicContact CG1-CG1 3.86Å; V27-V330 HydrophobicContact CG1-CG2 4.27Å; L31-V330 HydrophobicContact CD2-CG1 3.59Å; L296-V330 HydrophobicContact CD2-CB 4.33Å; L296-V330 HydrophobicContact CD2-CG2 3.63Å; I327-V330 HydrophobicContact CD1-CB 4.13Å; I327-V330 HydrophobicContact CD1-CG2 3.93Å; I327-V330 WeakPolarHBondContact O-CB 3.41Å; I327-V330 PolarHBondContact O-N 2.96Å; I327-V330 VanDerWaalsContact O-N 3.07Å; V330-Q332 PolarHBondContact O-N 3.36Å; V330-M335 HydrophobicContact CG1-CB 4.17Å
331P94.9Very high96.3Very high19 Ų1931.5 Ų31.512%0.12315%0.151CC..  trans-62.1120.4173.6-22.334.4000110.8E297 A329 R333 W334 M335E297-P331 HydrophobicContact CG-CG 3.53Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-R333 PolarHBondContact O-N 3.1Å; P331-R333 VanDerWaalsContact O-N 3.08Å; P331-W334 HydrophobicContact CB-CB 4.19Å; P331-W334 HydrophobicContact CB-CD2 4.13Å; P331-W334 HydrophobicContact CB-CG 3.8Å; P331-W334 HydrophobicContact CG-CD2 3.92Å; P331-W334 HydrophobicContact CG-CE3 4.28Å; P331-W334 HydrophobicContact CG-CG 4.13Å; P331-W334 PolarHBondContact O-N 2.98Å; P331-W334 VanDerWaalsContact O-N 3.08Å; P331-M335 PolarHBondContact O-N 2.87Å; P331-M335 VanDerWaalsContact O-N 3.07Å
332Q92.8Very high96.2Very high109 Ų10938.4 Ų38.451%0.50918%0.184SC..Hα-helixtrans-61.8-21.3-177.9-68.4-61.8-5500113.5V330 R336V330-Q332 PolarHBondContact O-N 3.36Å; Q332-R336 WeakPolarHBondContact O-CG 3.45Å; Q332-R336 PolarHBondContact O-N 2.72Å; Q332-R336 PolarHBondContact O-NE 3.43Å
333R90.9Very high96.1Very high59 Ų5941.2 Ų41.222%0.22320%0.199CC..Hα-helixtrans-75.9-46174-81.4-71.5177.3-174.63.7111.4E60 P331 M335 R336 C337E60-R333 IonicContact OE1-CZ 3.76Å; E60-R333 IonicContact OE1-NE 3.68Å; E60-R333 PolarHBondContact OE1-NE 3.16Å; E60-R333 VanDerWaalsContact OE1-NE 3.16Å; E60-R333 IonicContact OE1-NH2 2.71Å; E60-R333 PolarHBondContact OE1-NH2 3.1Å; E60-R333 IonicContact OE2-NH2 3.91Å; P331-R333 PolarHBondContact O-N 3.1Å; P331-R333 VanDerWaalsContact O-N 3.08Å; R333-M335 VanDerWaalsContact C-N 3.3Å; R333-M335 PolarHBondContact O-N 2.73Å; R333-R336 PolarHBondContact O-N 3.04Å; R333-C337 PolarHBondContact O-N 3.48Å; R333-C337 VanDerWaalsContact O-N 3.1Å; R333-C337 PolarHBondContact O-SG 3.24Å
334W94.5Very high96.1Very high0 Ų041.8 Ų41.80%020%0.204CC..Hα-helixtrans-59.6-44.5176.1-62.115.1000110.6L31 L54 L57 E297 I300 P331 R336 C337 C338L31-W334 HydrophobicContact CD2-CB 3.83Å; L31-W334 HydrophobicContact CD2-CE3 4.28Å; L31-W334 HydrophobicContact CG-CB 4.26Å; L54-W334 HydrophobicContact CB-CZ2 3.96Å; L54-W334 HydrophobicContact CD1-CH2 3.8Å; L54-W334 HydrophobicContact CD1-CZ2 4.06Å; L54-W334 HydrophobicContact CD2-CH2 3.56Å; L54-W334 HydrophobicContact CD2-CZ2 3.63Å; L54-W334 HydrophobicContact CD2-CZ3 4.04Å; L54-W334 HydrophobicContact CG-CH2 4.15Å; L54-W334 HydrophobicContact CG-CZ2 4.08Å; L57-W334 HydrophobicContact CD1-CG 4.43Å; E297-W334 HydrophobicContact CB-CH2 3.89Å; E297-W334 HydrophobicContact CB-CZ2 4.4Å; E297-W334 HydrophobicContact CG-CH2 3.94Å; E297-W334 HydrophobicContact CG-CZ2 4.17Å; E297-W334 HydrophobicContact CG-CZ3 4.44Å; I300-W334 HydrophobicContact CB-CZ3 4.13Å; I300-W334 HydrophobicContact CD1-CE3 4.36Å; I300-W334 HydrophobicContact CD1-CZ3 3.93Å; I300-W334 HydrophobicContact CG2-CZ3 4.02Å; P331-W334 HydrophobicContact CB-CB 4.19Å; P331-W334 HydrophobicContact CB-CD2 4.13Å; P331-W334 HydrophobicContact CB-CG 3.8Å; P331-W334 HydrophobicContact CG-CD2 3.92Å; P331-W334 HydrophobicContact CG-CE3 4.28Å; P331-W334 HydrophobicContact CG-CG 4.13Å; P331-W334 PolarHBondContact O-N 2.98Å; P331-W334 VanDerWaalsContact O-N 3.08Å; W334-R336 VanDerWaalsContact C-N 3.27Å; W334-R336 PolarHBondContact O-N 3.13Å; W334-C337 PolarHBondContact O-N 3.03Å; W334-C338 PolarHBondContact O-N 3.39Å; W334-C338 VanDerWaalsContact O-N 3.1Å; W334-C338 PolarHBondContact O-SG 3.49Å
335M94.3Very high96.1Very high19 Ų1942.3 Ų42.39%0.09421%0.207CC..Hα-helixtrans-57-37.1175.4-170.7-179.7175.400113.6V27 V330 P331 R333 C337 A341 D345V27-M335 HydrophobicContact CG1-CE 4.47Å; V27-M335 HydrophobicContact CG1-CG 4.08Å; V27-M335 HydrophobicContact CG1-SD 4.18Å; V27-M335 HydrophobicContact CG2-CE 4.38Å; V330-M335 HydrophobicContact CG1-CB 4.17Å; P331-M335 PolarHBondContact O-N 2.87Å; P331-M335 VanDerWaalsContact O-N 3.07Å; R333-M335 VanDerWaalsContact C-N 3.3Å; R333-M335 PolarHBondContact O-N 2.73Å; M335-C337 VanDerWaalsContact C-N 3.31Å; M335-A341 HydrophobicContact CG-CB 3.8Å; M335-A341 WeakPolarHBondContact O-CB 3.28Å; M335-D345 HydrophobicContact CE-CB 3.61Å
336R93.2Very high96.1Very high127 Ų12745.5 Ų45.548%0.47922%0.224SC..Hα-helixtrans-75.8-20.5177.1-78.6-179.1-81.4168.8-6.9113.5Q332 R333 W334Q332-R336 WeakPolarHBondContact O-CG 3.45Å; Q332-R336 PolarHBondContact O-N 2.72Å; Q332-R336 PolarHBondContact O-NE 3.43Å; R333-R336 PolarHBondContact O-N 3.04Å; W334-R336 VanDerWaalsContact C-N 3.27Å; W334-R336 PolarHBondContact O-N 3.13Å
337C94.3Very high96.1Very high13 Ų1346.3 Ų46.39%0.08823%0.229CC..Hα-helixtrans-87.5-20.7177.4-71.60000112.6L57 C65 V66 L67 R333 W334 M335L57-C337 HydrophobicContact CD2-CB 4.38Å; C65-C337 VanDerWaalsContact O-CA 3.3Å; C65-C337 WeakPolarHBondContact O-CA 3.36Å; C65-C337 WeakPolarHBondContact O-CB 3.45Å; C65-C337 PolarHBondContact O-SG 3.49Å; C65-C337 VanDerWaalsContact O-SG 3.39Å; V66-C337 CarbonylContact C-O 3.59Å; V66-C337 VanDerWaalsContact CA-O 3.28Å; V66-C337 WeakPolarHBondContact CA-O 3.09Å; L67-C337 PolarHBondContact N-O 3.17Å; R333-C337 PolarHBondContact O-N 3.48Å; R333-C337 VanDerWaalsContact O-N 3.1Å; R333-C337 PolarHBondContact O-SG 3.24Å; W334-C337 PolarHBondContact O-N 3.03Å; M335-C337 VanDerWaalsContact C-N 3.31Å
338C96.5Very high96.1Very high8 Ų845.6 Ų45.65%0.05423%0.225CC..BIsolated β-bridgetrans-94.2124-176.2-620000112.2V30 L31 C34 W334 G340 A341V30-C338 HydrophobicContact CG1-CB 4.34Å; L31-C338 HydrophobicContact CD1-CB 4.12Å; C34-C338 HydrophobicContact CB-CB 3.85Å; C34-C338 VanDerWaalsContact CB-SG 3.5Å; W334-C338 PolarHBondContact O-N 3.39Å; W334-C338 VanDerWaalsContact O-N 3.1Å; W334-C338 PolarHBondContact O-SG 3.49Å; C338-G340 PolarHBondContact O-N 3.45Å; C338-A341 HydrophobicContact CB-CB 4.11Å; C338-A341 WeakPolarHBondContact O-CB 3.34Å; C338-A341 PolarHBondContact O-N 3.27Å
339E97.5Very high96.1Very high55 Ų5540.9 Ų40.926%0.25721%0.209SC..THydrogen-bonded Turntrans-55.8135.5169.9-172-167.6179.100110.2V30 V66 L67 E68 Y69 R108 A341V30-E339 VanDerWaalsContact CG1-O 3.29Å; V30-E339 WeakPolarHBondContact CG1-O 3.34Å; V66-E339 HydrophobicContact CG1-CB 4.19Å; L67-E339 WeakPolarHBondContact O-CB 3.45Å; L67-E339 PolarHBondContact O-N 2.71Å; E68-E339 WeakPolarHBondContact CA-OE2 3.43Å; Y69-E339 HydrophobicContact CD1-CB 3.83Å; Y69-E339 VanDerWaalsContact CD1-CD 3.45Å; Y69-E339 HydrophobicContact CD1-CG 3.6Å; Y69-E339 WeakPolarHBondContact CD1-OE2 3.27Å; Y69-E339 HydrophobicContact CE1-CB 4.44Å; Y69-E339 HydrophobicContact CE1-CG 3.7Å; Y69-E339 VanDerWaalsContact CE1-OE1 3.31Å; Y69-E339 WeakPolarHBondContact CE1-OE1 3.43Å; Y69-E339 PolarHBondContact N-OE2 3.39Å; R108-E339 IonicContact CZ-OE1 2.72Å; R108-E339 IonicContact CZ-OE2 3.81Å; R108-E339 IonicContact NH1-OE1 3.35Å; R108-E339 IonicContact NH1-OE2 2.57Å; R108-E339 PolarHBondContact NH1-OE2 3.09Å; R108-E339 IonicContact NH2-OE1 3.93Å; R108-E339 PolarHBondContact NH2-OE1 3.39Å; R108-E339 IonicContact NH2-OE2 3.59Å; R108-E339 PolarHBondContact NH2-OE2 2.93Å; R108-E339 VanDerWaalsContact NH2-OE2 3.16Å; E339-A341 VanDerWaalsContact C-N 3.25Å; E339-A341 PolarHBondContact O-N 3.45Å
340G96.7Very high96.1Very high18 Ų1845.1 Ų45.119%0.18622%0.22CC..THydrogen-bonded Turntrans78.6-2.2174.700000115.5C338 E342 D343 A344C338-G340 PolarHBondContact O-N 3.45Å; G340-E342 PolarHBondContact O-N 3.23Å; G340-D343 WeakPolarHBondContact O-CB 3.22Å; G340-D343 PolarHBondContact O-N 3.48Å; G340-A344 WeakPolarHBondContact O-CB 3.41Å; G340-A344 PolarHBondContact O-N 3.18Å
341A97.4Very high96.2Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-65.2-39178.400000112.7V30 L31 M335 C338 E339 A344 D345V30-A341 HydrophobicContact CG1-CB 4.29Å; L31-A341 HydrophobicContact CD1-CB 4.15Å; M335-A341 HydrophobicContact CG-CB 3.8Å; M335-A341 WeakPolarHBondContact O-CB 3.28Å; C338-A341 HydrophobicContact CB-CB 4.11Å; C338-A341 WeakPolarHBondContact O-CB 3.34Å; C338-A341 PolarHBondContact O-N 3.27Å; E339-A341 VanDerWaalsContact C-N 3.25Å; E339-A341 PolarHBondContact O-N 3.45Å; A341-A344 PolarHBondContact O-N 3.28Å; A341-D345 WeakPolarHBondContact O-CB 3.46Å; A341-D345 PolarHBondContact O-N 3.31Å
342E96.8Very high96.4Very high145 Ų14545.6 Ų45.668%0.67822%0.22SC*.Hα-helixtrans-65-38.9173.2-65.9-175.2176.400112.2G340 D345 M346G340-E342 PolarHBondContact O-N 3.23Å; E342-D345 WeakPolarHBondContact O-CB 3.3Å; E342-D345 PolarHBondContact O-N 3.49Å; E342-M346 PolarHBondContact O-N 3.4Å
343D97.6Very high96.6Very high60 Ų6042.6 Ų42.632%0.32121%0.214SC..Hα-helixtrans-64-42.4175.1-89.4-3.4000111.3R77 G340 D345 N347R77-D343 IonicContact CZ-OD2 3.73Å; R77-D343 IonicContact NE-OD2 2.78Å; R77-D343 IonicContact NH2-OD2 2.71Å; R77-D343 PolarHBondContact NH2-OD2 3.06Å; G340-D343 WeakPolarHBondContact O-CB 3.22Å; G340-D343 PolarHBondContact O-N 3.48Å; D343-D345 VanDerWaalsContact C-N 3.33Å; D343-N347 WeakPolarHBondContact O-CB 3.49Å; D343-N347 PolarHBondContact O-N 3.3Å; D343-N347 PolarHBondContact O-ND2 2.85Å
344A98.5Very high96.9Very high12 Ų1240.4 Ų40.410%0.09921%0.207CC..Hα-helixtrans-61.8-43.2176.100000111.2L26 V27 V30 G340 A341 N347 A348L26-A344 HydrophobicContact CB-CB 4.1Å; V27-A344 HydrophobicContact CG2-CB 4.31Å; V30-A344 HydrophobicContact CG2-CB 3.74Å; G340-A344 WeakPolarHBondContact O-CB 3.41Å; G340-A344 PolarHBondContact O-N 3.18Å; A341-A344 PolarHBondContact O-N 3.28Å; A344-N347 PolarHBondContact O-N 2.78Å; A344-A348 VanDerWaalsContact O-CB 3.31Å; A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.31Å
345D98.1Very high97Very high26 Ų2641 Ų4114%0.13921%0.209CC..Hα-helixtrans-60.9-48.5178-171.545.3000112.7R23 V27 M335 A341 E342 D343 A348 A349R23-D345 IonicContact CZ-OD1 3.33Å; R23-D345 IonicContact CZ-OD2 3.77Å; R23-D345 IonicContact NE-OD1 2.97Å; R23-D345 PolarHBondContact NE-OD1 3.24Å; R23-D345 IonicContact NE-OD2 3.3Å; R23-D345 IonicContact NH2-OD1 2.76Å; R23-D345 PolarHBondContact NH2-OD1 3.24Å; R23-D345 IonicContact NH2-OD2 2.78Å; R23-D345 PolarHBondContact NH2-OD2 2.94Å; V27-D345 HydrophobicContact CG2-CB 3.73Å; M335-D345 HydrophobicContact CE-CB 3.61Å; A341-D345 WeakPolarHBondContact O-CB 3.46Å; A341-D345 PolarHBondContact O-N 3.31Å; E342-D345 WeakPolarHBondContact O-CB 3.3Å; E342-D345 PolarHBondContact O-N 3.49Å; D343-D345 VanDerWaalsContact C-N 3.33Å; D345-A348 PolarHBondContact O-N 3.12Å; D345-A349 PolarHBondContact O-N 3.2Å
346M97.8Very high96.9Very high105 Ų10543.7 Ų43.752%0.51722%0.221SC..Hα-helixtrans-62.5-44.7176.5177.3-177.855.100111.8E342 A349 R350E342-M346 PolarHBondContact O-N 3.4Å; M346-A349 PolarHBondContact O-N 2.81Å; M346-R350 PolarHBondContact O-N 3.42Å
347N98.4Very high96.8Very high17 Ų1743.4 Ų43.49%0.09123%0.225CC..Hα-helixtrans-74.7-27.5-177.4-72-61.3000112.9V80 L84 D343 A344 A349 R350 L351V80-N347 HydrophobicContact CG1-CB 3.58Å; L84-N347 HydrophobicContact CD1-CB 4.28Å; D343-N347 WeakPolarHBondContact O-CB 3.49Å; D343-N347 PolarHBondContact O-N 3.3Å; D343-N347 PolarHBondContact O-ND2 2.85Å; A344-N347 PolarHBondContact O-N 2.78Å; N347-A349 PolarHBondContact O-N 3.5Å; N347-R350 WeakPolarHBondContact O-CB 3.21Å; N347-R350 PolarHBondContact O-N 3.39Å; N347-R350 VanDerWaalsContact O-N 3.13Å; N347-R350 PolarHBondContact OD1-NH1 3.07Å; N347-L351 PolarHBondContact O-N 3.11Å
348A98.3Very high96.1Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-57.6-41.1171.100000111.4F22 R23 L26 A344 D345 R350 L351 H352F22-A348 HydrophobicContact CB-CB 4.4Å; R23-A348 HydrophobicContact CB-CB 4.31Å; R23-A348 HydrophobicContact CG-CB 3.94Å; L26-A348 HydrophobicContact CB-CB 4.34Å; L26-A348 HydrophobicContact CD1-CB 3.81Å; L26-A348 HydrophobicContact CG-CB 4.31Å; A344-A348 VanDerWaalsContact O-CB 3.31Å; A344-A348 WeakPolarHBondContact O-CB 3.29Å; A344-A348 PolarHBondContact O-N 3.31Å; D345-A348 PolarHBondContact O-N 3.12Å; A348-R350 VanDerWaalsContact C-N 3.3Å; A348-R350 PolarHBondContact O-N 3.18Å; A348-L351 PolarHBondContact O-N 3.13Å; A348-H352 PolarHBondContact O-N 3.22Å
349A95.8Very high94.9Very high36 Ų3647.2 Ų47.230%0.29825%0.25SS..Hα-helixtrans-64.5-35.4176.800000113.1M19 D345 M346 N347 A353M19-A349 HydrophobicContact CE-CB 4.03Å; M19-A349 WeakPolarHBondContact SD-CA 3.39Å; M19-A349 HydrophobicContact SD-CB 3.74Å; D345-A349 PolarHBondContact O-N 3.2Å; M346-A349 PolarHBondContact O-N 2.81Å; N347-A349 PolarHBondContact O-N 3.5Å; A349-A353 PolarHBondContact O-N 3.42Å
350R98.3Very high93.2Very high114 Ų11451.7 Ų51.743%0.4327%0.271SS..Hα-helixtrans-70.7-39.2175.3-61.6173.265.4-1612.4111.6L84 M346 N347 A348 H352 A353 L354L84-R350 HydrophobicContact CD1-CB 3.8Å; L84-R350 HydrophobicContact CD2-CB 3.68Å; L84-R350 HydrophobicContact CG-CB 4.41Å; M346-R350 PolarHBondContact O-N 3.42Å; N347-R350 WeakPolarHBondContact O-CB 3.21Å; N347-R350 PolarHBondContact O-N 3.39Å; N347-R350 VanDerWaalsContact O-N 3.13Å; N347-R350 PolarHBondContact OD1-NH1 3.07Å; A348-R350 VanDerWaalsContact C-N 3.3Å; A348-R350 PolarHBondContact O-N 3.18Å; R350-H352 VanDerWaalsContact C-N 3.35Å; R350-A353 WeakPolarHBondContact O-CB 3.17Å; R350-A353 PolarHBondContact O-N 3.48Å; R350-L354 PolarHBondContact O-N 3.11Å
351L98.3Very high91Very high0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-65.6-38.1175.5-78.8168.7000111.8F22 L26 V80 L83 L84 L156 A157 N347 A348 A353 L354 Y355F22-L351 HydrophobicContact CD1-CB 4.32Å; L26-L351 HydrophobicContact CD1-CD1 3.69Å; V80-L351 HydrophobicContact CB-CD1 4.43Å; V80-L351 HydrophobicContact CG1-CD1 3.91Å; V80-L351 HydrophobicContact CG1-CG 4.42Å; V80-L351 HydrophobicContact CG2-CD1 3.98Å; L83-L351 HydrophobicContact CB-CD2 4.3Å; L84-L351 HydrophobicContact CD1-CG 4.5Å; L84-L351 HydrophobicContact CD2-CD2 3.89Å; L84-L351 HydrophobicContact CD2-CG 4.02Å; L84-L351 HydrophobicContact CG-CD2 4.12Å; L84-L351 HydrophobicContact CG-CG 4.29Å; L156-L351 HydrophobicContact CB-CB 4.35Å; L156-L351 HydrophobicContact CB-CD1 4.27Å; L156-L351 HydrophobicContact CD1-CD1 4.27Å; A157-L351 HydrophobicContact CB-CD2 4.16Å; N347-L351 PolarHBondContact O-N 3.11Å; A348-L351 PolarHBondContact O-N 3.13Å; L351-A353 VanDerWaalsContact C-N 3.3Å; L351-A353 PolarHBondContact O-N 3.21Å; L351-L354 HydrophobicContact CD2-CD2 4.26Å; L351-L354 WeakPolarHBondContact O-CB 3.31Å; L351-L354 PolarHBondContact O-N 3.33Å; L351-L354 VanDerWaalsContact O-N 3.15Å; L351-Y355 WeakPolarHBondContact O-CB 3.29Å; L351-Y355 PolarHBondContact O-N 2.71Å
352H98.1Very high88.4Confident34 Ų3455.6 Ų55.616%0.15731%0.312CS..Hα-helixtrans-59.5-40.6172.7179.3-84.5000112.2A17 M19 F22 A348 R350 H356A17-H352 PolarHBondContact O-CD2 2.74Å; A17-H352 PolarHBondContact O-NE2 3.24Å; M19-H352 VanDerWaalsContact CA-CD2 3.48Å; M19-H352 WeakPolarHBondContact CA-CD2 3.23Å; M19-H352 HydrophobicContact CE-CB 3.74Å; M19-H352 VanDerWaalsContact CE-ND1 3.33Å; M19-H352 WeakPolarHBondContact CE-ND1 3.47Å; M19-H352 PolarHBondContact N-CD2 3.3Å; M19-H352 VanDerWaalsContact N-CD2 3.3Å; M19-H352 PolarHBondContact N-NE2 3.45Å; M19-H352 VanDerWaalsContact N-NE2 3.18Å; M19-H352 HydrophobicContact SD-CB 3.77Å; F22-H352 HydrophobicContact CB-CB 4.35Å; F22-H352 VanDerWaalsContact CD1-CA 3.49Å; F22-H352 HydrophobicContact CD1-CB 3.6Å; F22-H352 HydrophobicContact CD2-CB 4.49Å; F22-H352 AromaticContact CD2-CD2 3.82Å; F22-H352 HydrophobicContact CE1-CB 3.91Å; F22-H352 AromaticContact CE2-CD2 3.93Å; F22-H352 HydrophobicContact CG-CB 3.92Å; F22-H352 HydrophobicContact CZ-CB 4.49Å; A348-H352 PolarHBondContact O-N 3.22Å; R350-H352 VanDerWaalsContact C-N 3.35Å; H352-H356 AromaticContact CD2-NE2 3.93Å; H352-H356 AromaticContact CE1-CD2 3.4Å; H352-H356 PolarHBondContact CE1-CD2 2.98Å; H352-H356 VanDerWaalsContact CE1-CD2 3.4Å; H352-H356 AromaticContact CE1-NE2 3.48Å; H352-H356 PolarHBondContact CE1-NE2 3.25Å; H352-H356 AromaticContact ND1-CD2 3.72Å; H352-H356 AromaticContact NE2-CD2 3.71Å; H352-H356 AromaticContact NE2-NE2 3.34Å; H352-H356 PolarHBondContact NE2-NE2 3.5Å; H352-H356 PolarHBondContact O-CD2 3.19Å; H352-H356 VanDerWaalsContact O-CD2 3.27Å; H352-H356 PolarHBondContact O-N 3.4Å
353A97.1Very high85.7Confident47 Ų4758.5 Ų58.539%0.38832%0.316SS..Hα-helixtrans-63.5-44.1173.700000111.9A349 R350 L351 H356 Q357A349-A353 PolarHBondContact O-N 3.42Å; R350-A353 WeakPolarHBondContact O-CB 3.17Å; R350-A353 PolarHBondContact O-N 3.48Å; L351-A353 VanDerWaalsContact C-N 3.3Å; L351-A353 PolarHBondContact O-N 3.21Å; A353-H356 PolarHBondContact O-N 2.92Å; A353-Q357 WeakPolarHBondContact O-CG 3.46Å; A353-Q357 PolarHBondContact O-N 3.23Å
354L96.8Very high82.7Confident12 Ų1259.8 Ų59.86%0.06333%0.33CS..Hα-helixtrans-60.2-47.1176.5178.462.6000111.9L83 L84 A157 R350 L351 H356 Q357 T358L83-L354 HydrophobicContact CB-CD2 4.41Å; L84-L354 HydrophobicContact CD2-CB 4.49Å; L84-L354 HydrophobicContact CD2-CD2 4.41Å; A157-L354 HydrophobicContact CB-CD2 4.12Å; R350-L354 PolarHBondContact O-N 3.11Å; L351-L354 HydrophobicContact CD2-CD2 4.26Å; L351-L354 WeakPolarHBondContact O-CB 3.31Å; L351-L354 PolarHBondContact O-N 3.33Å; L351-L354 VanDerWaalsContact O-N 3.15Å; L354-H356 VanDerWaalsContact C-N 3.3Å; L354-H356 PolarHBondContact O-N 3.34Å; L354-Q357 WeakPolarHBondContact O-CB 3.48Å; L354-Q357 PolarHBondContact O-N 3.4Å; L354-Q357 VanDerWaalsContact O-N 3.12Å; L354-T358 PolarHBondContact O-N 3.07Å; L354-T358 VanDerWaalsContact O-N 3.08Å; L354-T358 PolarHBondContact O-OG1 2.96Å; L354-T358 VanDerWaalsContact O-OG1 3.08Å
355Y96.8Very high79.8Confident13 Ų1367.3 Ų67.35%0.05136%0.363CS..Hα-helixtrans-53.1-45.7180-176.2-92000113A17 F22 L156 F158 P159 Q197 L351 S359A17-Y355 HydrophobicContact CB-CE1 3.76Å; F22-Y355 HydrophobicContact CE1-CD2 4.38Å; F22-Y355 HydrophobicContact CE1-CG 4.2Å; F22-Y355 AromaticContact CZ-CD1 3.99Å; F22-Y355 HydrophobicContact CZ-CD1 3.99Å; F22-Y355 AromaticContact CZ-CD2 3.77Å; F22-Y355 HydrophobicContact CZ-CD2 3.77Å; F22-Y355 HydrophobicContact CZ-CE2 4.29Å; F22-Y355 AromaticContact CZ-CG 3.59Å; F22-Y355 HydrophobicContact CZ-CG 3.59Å; L156-Y355 WeakPolarHBondContact O-CB 3.29Å; L156-Y355 VanDerWaalsContact O-CD2 3.31Å; L156-Y355 WeakPolarHBondContact O-CD2 3.34Å; F158-Y355 WeakPolarHBondContact O-CE2 3.25Å; P159-Y355 VanDerWaalsContact CA-CZ 3.48Å; P159-Y355 WeakPolarHBondContact CA-OH 3.31Å; P159-Y355 HydrophobicContact CB-CD2 4.3Å; P159-Y355 HydrophobicContact CB-CE1 3.95Å; P159-Y355 HydrophobicContact CB-CE2 3.76Å; Q197-Y355 PolarHBondContact NE2-OH 2.92Å; L351-Y355 WeakPolarHBondContact O-CB 3.29Å; L351-Y355 PolarHBondContact O-N 2.71Å; Y355-S359 PolarHBondContact O-N 3.12Å; Y355-S359 PolarHBondContact O-OG 3.46Å
356H93.5Very high76.7Confident75 Ų7571.8 Ų71.835%0.34739%0.392SS..Hα-helixtrans-77.1-26.9-179.6-73.9-61.3000113.7H352 A353 L354 S359 Q360H352-H356 AromaticContact CD2-NE2 3.93Å; H352-H356 AromaticContact CE1-CD2 3.4Å; H352-H356 PolarHBondContact CE1-CD2 2.98Å; H352-H356 VanDerWaalsContact CE1-CD2 3.4Å; H352-H356 AromaticContact CE1-NE2 3.48Å; H352-H356 PolarHBondContact CE1-NE2 3.25Å; H352-H356 AromaticContact ND1-CD2 3.72Å; H352-H356 AromaticContact NE2-CD2 3.71Å; H352-H356 AromaticContact NE2-NE2 3.34Å; H352-H356 PolarHBondContact NE2-NE2 3.5Å; H352-H356 PolarHBondContact O-CD2 3.19Å; H352-H356 VanDerWaalsContact O-CD2 3.27Å; H352-H356 PolarHBondContact O-N 3.4Å; A353-H356 PolarHBondContact O-N 2.92Å; L354-H356 VanDerWaalsContact C-N 3.3Å; L354-H356 PolarHBondContact O-N 3.34Å; H356-S359 PolarHBondContact O-N 2.91Å; H356-Q360 WeakPolarHBondContact O-CG 3.38Å; H356-Q360 PolarHBondContact O-N 3.39Å
357Q90.4Very high73.7Confident122 Ų12275.4 Ų75.457%0.5741%0.407SS*.Hα-helixtrans-64.6-46.3170.9-72.5171.17.800110.7A353 L354 S359 Q360 G361A353-Q357 WeakPolarHBondContact O-CG 3.46Å; A353-Q357 PolarHBondContact O-N 3.23Å; L354-Q357 WeakPolarHBondContact O-CB 3.48Å; L354-Q357 PolarHBondContact O-N 3.4Å; L354-Q357 VanDerWaalsContact O-N 3.12Å; Q357-S359 VanDerWaalsContact C-N 3.27Å; Q357-S359 PolarHBondContact O-N 3.42Å; Q357-Q360 PolarHBondContact O-N 3.38Å; Q357-Q360 VanDerWaalsContact O-N 3.11Å; Q357-G361 PolarHBondContact O-N 2.94Å; Q357-G361 VanDerWaalsContact O-N 3.09Å
358T79.1Confident70.5Confident52 Ų5279.4 Ų79.432%0.31944%0.436SS..Hα-helixtrans-61.9-35177.9-49.40000112.2P159 L354 Q360P159-T358 HydrophobicContact CG-CG2 4.38Å; L354-T358 PolarHBondContact O-N 3.07Å; L354-T358 VanDerWaalsContact O-N 3.08Å; L354-T358 PolarHBondContact O-OG1 2.96Å; L354-T358 VanDerWaalsContact O-OG1 3.08Å; T358-Q360 VanDerWaalsContact C-N 3.31Å; T358-Q360 PolarHBondContact O-N 2.69Å
359S72.3Confident67.4Low49 Ų4985.2 Ų85.234%0.34348%0.476SS..Hα-helixtrans-67.4-29.9176.6-60.20000113.4P159 Y355 H356 Q357P159-S359 WeakPolarHBondContact CB-OG 3.34Å; P159-S359 WeakPolarHBondContact CG-OG 3.34Å; Y355-S359 PolarHBondContact O-N 3.12Å; Y355-S359 PolarHBondContact O-OG 3.46Å; H356-S359 PolarHBondContact O-N 2.91Å; Q357-S359 VanDerWaalsContact C-N 3.27Å; Q357-S359 PolarHBondContact O-N 3.42Å
360Q61.3Low64.5Low148 Ų14892.6 Ų92.669%0.69250%0.504SS*.Hα-helixtrans-87.4-32.8-178.5-70-177.33.500112.7H356 Q357 T358 G362 R363H356-Q360 WeakPolarHBondContact O-CG 3.38Å; H356-Q360 PolarHBondContact O-N 3.39Å; Q357-Q360 PolarHBondContact O-N 3.38Å; Q357-Q360 VanDerWaalsContact O-N 3.11Å; T358-Q360 VanDerWaalsContact C-N 3.31Å; T358-Q360 PolarHBondContact O-N 2.69Å; Q360-G362 VanDerWaalsContact C-N 3.29Å; Q360-G362 PolarHBondContact O-N 2.62Å; Q360-R363 PolarHBondContact O-N 3.34Å
361G50Low61.5Low44 Ų4494.8 Ų94.845%0.45453%0.525SS..Hα-helixtrans-60.1-35.1178.300000113.8Q357 R363 S364Q357-G361 PolarHBondContact O-N 2.94Å; Q357-G361 VanDerWaalsContact O-N 3.09Å; G361-R363 PolarHBondContact O-N 2.92Å; G361-S364 PolarHBondContact O-N 2.88Å
362G42.7Very low58.7Low57 Ų57104.8 Ų104.859%0.58857%0.568SS**THydrogen-bonded Turntrans-70.7-10.6178.100000115.5Q360Q360-G362 VanDerWaalsContact C-N 3.29Å; Q360-G362 PolarHBondContact O-N 2.62Å
363R41Very low55.7Low205 Ų205108.3 Ų108.377%0.77460%0.597SS**THydrogen-bonded Turntrans-89.5-17.5176.2-87-178172.3176.3-1.8114Q360 G361Q360-R363 PolarHBondContact O-N 3.34Å; G361-R363 PolarHBondContact O-N 2.92Å
364S34.2Very low52.7Low88 Ų88115.4 Ų115.462%0.61562%0.622SS**THydrogen-bonded Turntrans-88.3-18-174.586.20000114.6G361G361-S364 PolarHBondContact O-N 2.88Å
365E36.8Very low49.7Very low169 Ų169120.4 Ų120.479%0.7966%0.658SS**THydrogen-bonded Turntrans-86.3-4.8-177.2-67.4-170.4161.500114.2
366T33.8Very low46.8Very low120 Ų120128.2 Ų128.274%0.73670%0.7SS**THydrogen-bonded Turntrans-102-3.9-178.433.60000115
367E35.5Very low44Very low182 Ų182128.5 Ų128.585%0.8572%0.724SS**SBendtrans-1065.6-178.4-77.5-172.5165.700115.3
368S31.1Very low41.5Very low100 Ų100128.9 Ų128.970%0.69973%0.734SS**SBendtrans-109.413.3-177.670.40000116.2
369C32Very low39.7Very low123 Ų123134.7 Ų134.783%0.83176%0.758SS**SBendtrans-129.238-177.3-89.60000114.3
370E35.2Very low38Very low190 Ų190142 Ų14289%0.88878%0.784SS**  trans-141.276.7164.7-74.9-169.5164.100110.1
371D36.4Very low37Very low161 Ų161144.9 Ų144.986%0.86179%0.794SS**  trans-167.555.4151.8-128.4-6.6000114.8
372K38.6Very low36.6Very low210 Ų210151.9 Ų151.991%0.91381%0.812SS**  trans-151.572.8162.5-74.1-160.9-178.9174.20113.1
373S34.8Very low36.7Very low108 Ų108160.2 Ų160.276%0.75584%0.843SS**  trans-169106149.154.40000110.6
374E34.7Very low36.5Very low196 Ų196158 Ų15892%0.91685%0.846SS**  trans175.2101.8139-99.2173.6-165.500110.8
375S33Very low36.6Very low117 Ų117161.6 Ų161.682%0.81886%0.858SS**  trans-173.892.6135.667.80000110
376N35.8Very low36.6Very low176 Ų176161.2 Ų161.294%0.94186%0.862SS**  trans-140.691.9156.7-112.8-4000107.8
377G34.9Very low36.7Very low82 Ų82163.6 Ų163.685%0.84587%0.869SS**  trans-113.5117172.400000109.7
378T39.2Very low36.8Very low129 Ų129162.5 Ų162.579%0.79187%0.871SS**  trans-82.3149.7-175.30.30000113.4
379E40.8Very low37.2Very low174 Ų174166.7 Ų166.781%0.81388%0.882SS**  trans68.7122.7145.6-70.3-179.2167.600122.2
380K36.2Very low37.6Very low204 Ų204169.8 Ų169.889%0.88789%0.886SS**  -171.9121.1103.7-101.5169.4-176.5173.60112.6
381K40.3Very low37.8Very low208 Ų208168.2 Ų168.290%0.90489%0.886SS**  trans-79.1131.8154.7-92.7180172.6177.70108.5
382K42.5Very low37.9Very low190 Ų190168.8 Ų168.883%0.82689%0.888SS**  trans-162.4129.7140.2-108179.1-177.1-171.80109.3
383D43.7Very low37.8Very low232 Ų232165.1 Ų165.1100%1.24189%0.885SS**  trans69.80167.7-51.4-22.8000119.3

Retrieved 383 of 383 residues in 721.4 ms (Link to these results)

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