G4VLP3_SCHMA Loading...

MEG-8 family

AlphaFold DB , UniProt , Accession G4VLP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M49.7Very low62.2Low219 Ų21979.7 Ų79.7100%1.07944%0.437SS*.  0121.90-85.2158.771.800107.9
2N52.3Low62.8Low117 Ų11775.3 Ų75.363%0.62642%0.42SS*.  trans-66.3133.3-177.3-120.41000109.8V4 T5 L6N2-V4 PolarHBondContact O-N 3.16Å; N2-V4 VanDerWaalsContact O-N 3.12Å; N2-T5 WeakPolarHBondContact CB-OG1 3.35Å; N2-T5 WeakPolarHBondContact O-CA 3.23Å; N2-T5 WeakPolarHBondContact O-CB 3.49Å; N2-T5 PolarHBondContact O-N 2.66Å; N2-L6 PolarHBondContact O-N 3.09Å
3T58.3Low63.4Low53 Ų5371.1 Ų71.133%0.32540%0.395SS..Hα-helixtrans-55-32.5177.9-45.90000111.8L6 G7 L134 F138T3-L6 PolarHBondContact O-N 2.8Å; T3-G7 PolarHBondContact O-N 3.22Å; T3-L134 HydrophobicContact CG2-CD2 3.49Å; T3-L134 VanDerWaalsContact CG2-CD2 3.49Å; T3-F138 HydrophobicContact CG2-CE2 3.48Å; T3-F138 VanDerWaalsContact CG2-CE2 3.48Å; T3-F138 HydrophobicContact CG2-CZ 3.47Å; T3-F138 VanDerWaalsContact CG2-CZ 3.47Å
4V60.1Low63.6Low92 Ų9268.6 Ų68.656%0.55838%0.384SS*.Hα-helixtrans-60.7-43.1173.8-179.50000111.8N2 G7 L8N2-V4 PolarHBondContact O-N 3.16Å; N2-V4 VanDerWaalsContact O-N 3.12Å; V4-G7 PolarHBondContact O-N 2.71Å; V4-L8 HydrophobicContact CG1-CD1 3.7Å; V4-L8 WeakPolarHBondContact O-CB 3.34Å; V4-L8 WeakPolarHBondContact O-CD1 3.47Å; V4-L8 WeakPolarHBondContact O-CG 3.27Å; V4-L8 PolarHBondContact O-N 2.67Å
5T63.1Low63.7Low59 Ų5968.1 Ų68.136%0.36238%0.38SS..Hα-helixtrans-67.3-39.9179.1-44.30000111.1N2 F9N2-T5 WeakPolarHBondContact CB-OG1 3.35Å; N2-T5 WeakPolarHBondContact O-CA 3.23Å; N2-T5 WeakPolarHBondContact O-CB 3.49Å; N2-T5 PolarHBondContact O-N 2.66Å; T5-F9 VanDerWaalsContact O-CB 3.29Å; T5-F9 WeakPolarHBondContact O-CB 3.29Å; T5-F9 PolarHBondContact O-N 3Å
6L63.9Low63.8Low61 Ų6164.6 Ų64.632%0.31936%0.36SS..Hα-helixtrans-65.7-43.1175.5-174.368.1000111.5N2 T3 F9 C10N2-L6 PolarHBondContact O-N 3.09Å; T3-L6 PolarHBondContact O-N 2.8Å; L6-F9 PolarHBondContact O-N 3.47Å; L6-C10 PolarHBondContact O-N 3.32Å; L6-C10 PolarHBondContact O-SG 2.97Å
7G65.3Low63.6Low28 Ų2862.9 Ų62.929%0.28936%0.361SS..Hα-helixtrans-61.7-44.5176.200000112.5T3 V4 C10 I11T3-G7 PolarHBondContact O-N 3.22Å; V4-G7 PolarHBondContact O-N 2.71Å; G7-C10 PolarHBondContact O-N 2.98Å; G7-I11 VanDerWaalsContact O-CG1 3.26Å; G7-I11 WeakPolarHBondContact O-CG1 3.24Å; G7-I11 PolarHBondContact O-N 3.14Å
8L66.8Low63.2Low66 Ų6665.6 Ų65.635%0.34637%0.373SS..Hα-helixtrans-67.9-36177.9-76.2158.7000112.4V4 I11 A12 F58 F62V4-L8 HydrophobicContact CG1-CD1 3.7Å; V4-L8 WeakPolarHBondContact O-CB 3.34Å; V4-L8 WeakPolarHBondContact O-CD1 3.47Å; V4-L8 WeakPolarHBondContact O-CG 3.27Å; V4-L8 PolarHBondContact O-N 2.67Å; L8-I11 PolarHBondContact O-N 3.01Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.97Å; L8-F58 HydrophobicContact CB-CZ 4.43Å; L8-F62 HydrophobicContact CB-CE1 4.44Å; L8-F62 HydrophobicContact CB-CZ 3.72Å; L8-F62 HydrophobicContact CD1-CE1 3.3Å; L8-F62 HydrophobicContact CD1-CZ 3.32Å; L8-F62 HydrophobicContact CD2-CZ 4.42Å; L8-F62 HydrophobicContact CG-CE1 4.39Å; L8-F62 HydrophobicContact CG-CZ 3.97Å
9F67.2Low62.6Low68 Ų6865.6 Ų65.630%0.29837%0.372SS..Hα-helixtrans-64.5-43.9172.9-174.8-107.1000111.8T5 L6 A12 I13 W55 F58T5-F9 VanDerWaalsContact O-CB 3.29Å; T5-F9 WeakPolarHBondContact O-CB 3.29Å; T5-F9 PolarHBondContact O-N 3Å; L6-F9 PolarHBondContact O-N 3.47Å; F9-A12 PolarHBondContact O-N 3.47Å; F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CE1-CD1 3.25Å; F9-I13 HydrophobicContact CE1-CG1 4.4Å; F9-I13 HydrophobicContact CE2-CD1 4.21Å; F9-I13 HydrophobicContact CG-CD1 4.4Å; F9-I13 HydrophobicContact CZ-CD1 3.54Å; F9-I13 HydrophobicContact CZ-CG1 4.4Å; F9-I13 WeakPolarHBondContact O-CB 3.24Å; F9-I13 WeakPolarHBondContact O-CG1 3.27Å; F9-I13 PolarHBondContact O-N 2.81Å; F9-W55 HydrophobicContact CD2-CZ3 4.36Å; F9-W55 AromaticContact CE2-CZ3 3.88Å; F9-W55 HydrophobicContact CE2-CZ3 3.88Å; F9-F58 HydrophobicContact CB-CZ 4.28Å; F9-F58 HydrophobicContact CD2-CZ 4.46Å
10C67.6Low61.7Low16 Ų1664.1 Ų64.111%0.10837%0.368CS..Hα-helixtrans-60.3-45.9173.8-77.30000112.1L6 G7 I13 C14 F128L6-C10 PolarHBondContact O-N 3.32Å; L6-C10 PolarHBondContact O-SG 2.97Å; G7-C10 PolarHBondContact O-N 2.98Å; C10-I13 PolarHBondContact O-N 3.47Å; C10-C14 PolarHBondContact O-N 2.92Å; C10-C14 PolarHBondContact O-SG 2.79Å; C10-F128 HydrophobicContact CB-CE2 3.85Å; C10-F128 HydrophobicContact CB-CZ 4.06Å
11I70.4Confident60.7Low98 Ų9864 Ų6450%0.50338%0.381SS..Hα-helixtrans-63.2-43.3178.6-67.6163.6000110.8G7 L8 I13 C14 L15G7-I11 VanDerWaalsContact O-CG1 3.26Å; G7-I11 WeakPolarHBondContact O-CG1 3.24Å; G7-I11 PolarHBondContact O-N 3.14Å; L8-I11 PolarHBondContact O-N 3.01Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.46Å; I11-C14 WeakPolarHBondContact O-CB 3.09Å; I11-C14 PolarHBondContact O-N 2.78Å; I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.37Å
12A69.7Low60.2Low27 Ų2758.6 Ų58.622%0.22336%0.36CS..Hα-helixtrans-59.7-45.117700000111.5L8 F9 C14 L15 I16 F58L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 2.97Å; F9-A12 PolarHBondContact O-N 3.47Å; A12-C14 PolarHBondContact O-N 2.71Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-I16 VanDerWaalsContact O-CD1 3.29Å; A12-I16 WeakPolarHBondContact O-CD1 3.26Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.29Å; A12-F58 HydrophobicContact CB-CD2 4.41Å; A12-F58 HydrophobicContact CB-CE2 4.12Å
13I69.6Low59.7Low20 Ų2055.4 Ų55.410%0.10335%0.345CS..Hα-helixtrans-59.1-44.6174.6-79.3174.6000112F9 C10 I11 L15 I16 G17 L120 L123F9-I13 HydrophobicContact CD1-CD1 3.72Å; F9-I13 HydrophobicContact CE1-CD1 3.25Å; F9-I13 HydrophobicContact CE1-CG1 4.4Å; F9-I13 HydrophobicContact CE2-CD1 4.21Å; F9-I13 HydrophobicContact CG-CD1 4.4Å; F9-I13 HydrophobicContact CZ-CD1 3.54Å; F9-I13 HydrophobicContact CZ-CG1 4.4Å; F9-I13 WeakPolarHBondContact O-CB 3.24Å; F9-I13 WeakPolarHBondContact O-CG1 3.27Å; F9-I13 PolarHBondContact O-N 2.81Å; C10-I13 PolarHBondContact O-N 3.47Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.46Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 2.88Å; I13-I16 PolarHBondContact O-N 3.23Å; I13-G17 PolarHBondContact O-N 3.36Å; I13-L120 HydrophobicContact CB-CD1 4.21Å; I13-L120 HydrophobicContact CD1-CD1 4Å; I13-L120 HydrophobicContact CG1-CD1 3.98Å; I13-L120 HydrophobicContact CG2-CD1 3.32Å; I13-L120 HydrophobicContact CG2-CD2 3.92Å; I13-L120 HydrophobicContact CG2-CG 3.55Å; I13-L123 HydrophobicContact CD1-CD2 4.26Å
14C67Low58.6Low36 Ų3657.4 Ų57.424%0.24336%0.361CS..Hα-helixtrans-61.1-41.6177.9-65.90000112.4C10 I11 A12 I16 G17 I18 F124C10-C14 PolarHBondContact O-N 2.92Å; C10-C14 PolarHBondContact O-SG 2.79Å; I11-C14 WeakPolarHBondContact O-CB 3.09Å; I11-C14 PolarHBondContact O-N 2.78Å; A12-C14 PolarHBondContact O-N 2.71Å; C14-I16 VanDerWaalsContact C-N 3.32Å; C14-I16 PolarHBondContact O-N 3.4Å; C14-G17 PolarHBondContact O-N 2.66Å; C14-I18 VanDerWaalsContact O-CG1 3.29Å; C14-I18 WeakPolarHBondContact O-CG1 3.43Å; C14-I18 PolarHBondContact O-N 3.39Å; C14-F124 WeakPolarHBondContact SG-CE2 3.38Å
15L65.2Low57.7Low62 Ų6260.8 Ų60.833%0.32537%0.368SS..Hα-helixtrans-67-35.6-178.6-68.8168.3000111.8I11 A12 I13 N19 F99I11-L15 HydrophobicContact CG2-CD1 3.9Å; I11-L15 HydrophobicContact CG2-CG 4.46Å; I11-L15 WeakPolarHBondContact O-CG 3.47Å; I11-L15 PolarHBondContact O-N 3.37Å; A12-L15 PolarHBondContact O-N 3.04Å; I13-L15 VanDerWaalsContact C-N 3.33Å; I13-L15 PolarHBondContact O-N 2.88Å; L15-N19 PolarHBondContact O-N 3.18Å; L15-F99 HydrophobicContact CB-CE1 4.36Å; L15-F99 HydrophobicContact CD1-CE1 3.45Å; L15-F99 VanDerWaalsContact CD1-CE1 3.45Å; L15-F99 HydrophobicContact CD1-CZ 3.52Å; L15-F99 HydrophobicContact CG-CE1 4.42Å
16I64.6Low56.6Low11 Ų1164 Ų646%0.05639%0.39CS..Hα-helixtrans-68.1-41174.2-60.2155.4000110.7A12 I13 C14 I18 N19 A20 M54 F103 Y108A12-I16 VanDerWaalsContact O-CD1 3.29Å; A12-I16 WeakPolarHBondContact O-CD1 3.26Å; A12-I16 VanDerWaalsContact O-CG1 3.28Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.29Å; I13-I16 PolarHBondContact O-N 3.23Å; C14-I16 VanDerWaalsContact C-N 3.32Å; C14-I16 PolarHBondContact O-N 3.4Å; I16-I18 PolarHBondContact O-N 2.92Å; I16-N19 PolarHBondContact O-N 2.75Å; I16-A20 PolarHBondContact O-N 2.74Å; I16-M54 HydrophobicContact CD1-CE 3.29Å; I16-M54 HydrophobicContact CD1-SD 3.33Å; I16-M54 WeakPolarHBondContact CD1-SD 3.16Å; I16-M54 HydrophobicContact CG1-CE 3.68Å; I16-M54 HydrophobicContact CG1-SD 4.37Å; I16-F103 HydrophobicContact CG1-CZ 4.38Å; I16-Y108 HydrophobicContact CG2-CE1 4.42Å
17G60.8Low55.5Low37 Ų3766.6 Ų66.638%0.38141%0.408SS..Hα-helixtrans-65.5-34.917800000113.8I13 C14I13-G17 PolarHBondContact O-N 3.36Å; C14-G17 PolarHBondContact O-N 2.66Å
18I55.5Low54.1Low110 Ų11069.8 Ų69.856%0.56443%0.433SS*.Hα-helixtrans-73.7-38.2178.9-65.4164.1000111.3C14 I16 A20 G21C14-I18 VanDerWaalsContact O-CG1 3.29Å; C14-I18 WeakPolarHBondContact O-CG1 3.43Å; C14-I18 PolarHBondContact O-N 3.39Å; I16-I18 PolarHBondContact O-N 2.92Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.1Å; I18-G21 PolarHBondContact O-N 3.29Å
19N51.6Low52.8Low67 Ų6772.7 Ų72.736%0.35845%0.453SS..Hα-helixtrans-71.7-21.7176.5-81.5-9000113.6L15 I16 G21 F103L15-N19 PolarHBondContact O-N 3.18Å; I16-N19 PolarHBondContact O-N 2.75Å; N19-G21 VanDerWaalsContact C-N 3.28Å; N19-G21 PolarHBondContact O-N 3.31Å; N19-F103 WeakPolarHBondContact ND2-CD1 3.16Å
20A46.1Very low51.4Low35 Ų3576 Ų7629%0.28948%0.478SS..THydrogen-bonded Turntrans-69.4-23.1171.400000113.8I16 I18 Y108 P110I16-A20 PolarHBondContact O-N 2.74Å; I18-A20 VanDerWaalsContact C-N 3.3Å; I18-A20 PolarHBondContact O-N 3.1Å; A20-Y108 HydrophobicContact CB-CD1 4.47Å; A20-Y108 HydrophobicContact CB-CE1 4.01Å; A20-P110 HydrophobicContact CB-CG 3.54Å
21G39.1Very low50Low63 Ų6384.6 Ų84.665%0.64951%0.514SS*.THydrogen-bonded Turntrans-91.7-5.9-170.400000115.7I18 N19I18-G21 PolarHBondContact O-N 3.29Å; N19-G21 VanDerWaalsContact C-N 3.28Å; N19-G21 PolarHBondContact O-N 3.31Å
22T41.1Very low48.7Very low105 Ų10585.2 Ų85.264%0.64452%0.524SS*.SBendtrans-114.2-0.6-168.849.80000115.1
23V40.1Very low47.4Very low49 Ų4992.5 Ų92.530%0.29755%0.554SS.*  trans-110.371.6-178.4-1650000111.1E107 N109V23-E107 HydrophobicContact CG1-CG 3.99Å; V23-N109 PolarHBondContact O-OD1 3.43Å
24S36.4Very low46.2Very low95 Ų9596.1 Ų96.166%0.66458%0.579SS**  trans-110.578.4168.651.70000110.3
25K40.3Very low45Very low164 Ų16499.7 Ų99.771%0.71360%0.599SS**  trans-142.3109.1160.2-158.2173.4-174.1177.60110.3T27K25-T27 PolarHBondContact O-N 2.95Å
26P41.4Very low43.9Very low126 Ų126103.1 Ų103.182%0.81862%0.618SS**  trans-80.7109.817830.6-28000108.9A28P26-A28 PolarHBondContact O-N 3.21Å
27T39.1Very low42.9Very low115 Ų115111.3 Ų111.371%0.70665%0.653SS**  trans-92.393.1165.3-55.90000108.3K25 T29K25-T27 PolarHBondContact O-N 2.95Å; T27-T29 PolarHBondContact O-N 2.9Å
28A36Very low42.1Very low96 Ų96118 Ų11879%0.79368%0.676SS**  trans-67.1113.2168.200000109.5P26P26-A28 PolarHBondContact O-N 3.21Å
29T40.4Very low40.9Very low126 Ų126120.2 Ų120.277%0.77369%0.689SS**  trans-133.785.7158.5-420000109T27T27-T29 PolarHBondContact O-N 2.9Å
30V37.9Very low40.6Very low137 Ų137123.2 Ų123.283%0.8371%0.71SS**  trans-88.8116.6162.5175.20000107.1
31K38.1Very low40.2Very low198 Ų198127.4 Ų127.486%0.86173%0.733SS**  trans-152.7130.3141-118.5178.2178.7-179.40110.6
32P42.4Very low40.2Very low111 Ų111129.8 Ų129.872%0.72174%0.736SS**  trans-86.6153.1-166.135.5-35.7000113.7
33Q41.9Very low40.1Very low180 Ų180130.3 Ų130.384%0.84174%0.739SS**  trans17.6168.4138.2-102-15623.500120.7
34P45.2Very low40.1Very low96 Ų96136.5 Ų136.562%0.62376%0.764SS**  cis-148.3-17016.3245.2000116.9
35V41Very low40.6Very low111 Ų111140 Ų14067%0.67377%0.77SS**  trans98.396.1146.5-164.80000119
36N42.9Very low41.2Very low133 Ų133140.3 Ų140.371%0.71177%0.774SS**  162.7124.7110.5-98.2-30.5000115.1
37K42.9Very low41.9Very low183 Ų183141.1 Ų141.180%0.79677%0.767SS**  trans40.5108.4136-68.2177.6176.6176.20120.2
38M44.2Very low43.1Very low178 Ų178138.2 Ų138.288%0.87775%0.75SS**  164.7114.7104.2-95.3-177.5-176.200111.7
39N31.6Very low44.6Very low156 Ų156137 Ų13783%0.83474%0.736SS**  trans21.899.9141.8-140.725.1000118.8
40T44.9Very low45.8Very low131 Ų131135.1 Ų135.180%0.80472%0.717SS**  trans-152117.1141.7-29.30000107P42T40-P42 VanDerWaalsContact O-CD 3.27Å; T40-P42 WeakPolarHBondContact O-CD 3.31Å; T40-P42 VanDerWaalsContact O-N 3.13Å
41T36.7Very low47Very low123 Ų123134.3 Ų134.376%0.75570%0.699SS**  trans-51.3115.7176.1-48.10000109.4V43T41-V43 PolarHBondContact O-N 3.3Å; T41-V43 VanDerWaalsContact O-N 3.16Å
42P39.2Very low48.3Very low112 Ų112132.7 Ų132.773%0.72769%0.688SS**  trans-73.9111.7165.229.1-25.6000105.6T40 H44T40-P42 VanDerWaalsContact O-CD 3.27Å; T40-P42 WeakPolarHBondContact O-CD 3.31Å; T40-P42 VanDerWaalsContact O-N 3.13Å; P42-H44 PolarHBondContact O-N 2.92Å; P42-H44 VanDerWaalsContact O-N 3.09Å
43V39.6Very low49.6Very low116 Ų116132.1 Ų132.170%0.70367%0.671SS**  trans-43.3121.9154.9173.20000105.5T41 Q45T41-V43 PolarHBondContact O-N 3.3Å; T41-V43 VanDerWaalsContact O-N 3.16Å; V43-Q45 HydrophobicContact CG1-CG 4.37Å; V43-Q45 PolarHBondContact O-N 3.29Å
44H40.6Very low50.7Low179 Ų179125.5 Ų125.583%0.82964%0.641SS**  trans-63.877.4176.8-137.2-63.4000107.2P42 E46P42-H44 PolarHBondContact O-N 2.92Å; P42-H44 VanDerWaalsContact O-N 3.09Å; H44-E46 PolarHBondContact O-N 3.34Å
45Q46.8Very low51.7Low169 Ų169127.5 Ų127.579%0.7964%0.636SS**  trans-71.593.8166.6-81.8-175-27.500104.2V43 E47V43-Q45 HydrophobicContact CG1-CG 4.37Å; V43-Q45 PolarHBondContact O-N 3.29Å; Q45-E47 PolarHBondContact O-N 2.83Å
46E52.3Low52.9Low171 Ų171126.5 Ų126.580%0.79963%0.627SS**  trans-54.697.6162.5-73.3-172.3141.200106.7H44 P48H44-E46 PolarHBondContact O-N 3.34Å; E46-P48 WeakPolarHBondContact O-CD 3.5Å; E46-P48 VanDerWaalsContact O-N 3.07Å
47E56.7Low54Low143 Ų143122.4 Ų122.467%0.66861%0.608SS**PPolyproline II helixtrans-46.2118.3169.2-87.8-107121.200106.8Q45 S49 R53Q45-E47 PolarHBondContact O-N 2.83Å; E47-S49 PolarHBondContact O-N 3.32Å; E47-R53 IonicContact OE1-CZ 3.78Å; E47-R53 IonicContact OE1-NH2 3.49Å; E47-R53 PolarHBondContact OE1-NH2 2.95Å; E47-R53 IonicContact OE2-CZ 3.8Å; E47-R53 IonicContact OE2-NH1 2.71Å; E47-R53 IonicContact OE2-NH2 2.67Å; E47-R53 PolarHBondContact OE2-NH2 3.27Å
48P62.8Low55Low54 Ų54115.3 Ų115.335%0.35158%0.578SS.*PPolyproline II helixtrans-56.7123.8179.419.5-28.2000106.7E46 F50 R52 R53E46-P48 WeakPolarHBondContact O-CD 3.5Å; E46-P48 VanDerWaalsContact O-N 3.07Å; P48-F50 PolarHBondContact O-N 3.29Å; P48-R52 HydrophobicContact CB-CB 4.13Å; P48-R53 HydrophobicContact CB-CG 4.12Å; P48-R53 HydrophobicContact CG-CG 3.85Å; P48-R53 PolarHBondContact O-NE 2.84Å; P48-R53 VanDerWaalsContact O-NE 3.14Å
49S69Low55.9Low70 Ų70109.4 Ų109.449%0.4955%0.552SS.*PPolyproline II helixtrans-46.8144.9178.658.20000109.4E47 W51 R52 R53E47-S49 PolarHBondContact O-N 3.32Å; S49-W51 CarbonylContact O-C 3.57Å; S49-W51 PolarHBondContact O-N 3.34Å; S49-R52 WeakPolarHBondContact O-CA 3.36Å; S49-R52 WeakPolarHBondContact O-CB 3.44Å; S49-R52 PolarHBondContact O-N 3.33Å; S49-R53 PolarHBondContact O-N 2.73Å
50F65Low57.5Low87 Ų87105.5 Ų105.538%0.38254%0.537SS..Hα-helixtrans-43.5-40.9179.2169.6-98.3000112.4P48 R52 R53 M54 Y108P48-F50 PolarHBondContact O-N 3.29Å; F50-R52 PolarHBondContact O-N 2.85Å; F50-R53 PolarHBondContact O-N 2.91Å; F50-M54 HydrophobicContact CE1-CE 3.5Å; F50-M54 HydrophobicContact CE1-SD 4Å; F50-M54 HydrophobicContact CE2-CE 4Å; F50-M54 HydrophobicContact CZ-CE 3.17Å; F50-M54 HydrophobicContact CZ-SD 4.27Å; F50-M54 VanDerWaalsContact O-CB 3.24Å; F50-M54 WeakPolarHBondContact O-CB 3.2Å; F50-M54 PolarHBondContact O-N 2.72Å; F50-Y108 HydrophobicContact CE1-CE2 4.32Å; F50-Y108 HydrophobicContact CE2-CD2 4.44Å; F50-Y108 HydrophobicContact CE2-CE2 4.29Å; F50-Y108 HydrophobicContact CZ-CD2 4.45Å; F50-Y108 AromaticContact CZ-CE2 3.96Å; F50-Y108 HydrophobicContact CZ-CE2 3.96Å
51W63.9Low58Low120 Ų120104.3 Ų104.346%0.45552%0.523SS..Hα-helixtrans-60.3-41.2174.1-75.3104.8000114.4S49 M54 W55 F116S49-W51 CarbonylContact O-C 3.57Å; S49-W51 PolarHBondContact O-N 3.34Å; W51-M54 HydrophobicContact CZ3-SD 4.21Å; W51-W55 WeakPolarHBondContact O-CA 3.38Å; W51-W55 WeakPolarHBondContact O-CB 3.44Å; W51-W55 PolarHBondContact O-N 3.12Å; W51-F116 AromaticContact CH2-CE2 3.63Å; W51-F116 HydrophobicContact CH2-CE2 3.63Å; W51-F116 AromaticContact CH2-CZ 3.52Å; W51-F116 HydrophobicContact CH2-CZ 3.52Å; W51-F116 HydrophobicContact CZ2-CD2 4.1Å; W51-F116 HydrophobicContact CZ2-CE1 4.25Å; W51-F116 AromaticContact CZ2-CE2 3.2Å; W51-F116 HydrophobicContact CZ2-CE2 3.2Å; W51-F116 AromaticContact CZ2-CZ 3.29Å; W51-F116 HydrophobicContact CZ2-CZ 3.29Å
52R64.7Low58.8Low164 Ų164102.5 Ų102.562%0.61951%0.505SS*.Hα-helixtrans-69-40.2176.8-146.1174.4-165.4-1362111P48 S49 F50 N56P48-R52 HydrophobicContact CB-CB 4.13Å; S49-R52 WeakPolarHBondContact O-CA 3.36Å; S49-R52 WeakPolarHBondContact O-CB 3.44Å; S49-R52 PolarHBondContact O-N 3.33Å; F50-R52 PolarHBondContact O-N 2.85Å; R52-N56 VanDerWaalsContact O-CB 3.23Å; R52-N56 WeakPolarHBondContact O-CB 3.46Å; R52-N56 PolarHBondContact O-N 3.08Å; R52-N56 PolarHBondContact O-ND2 3.03Å; R52-N56 PolarHBondContact O-OD1 2.86Å
53R69Low59.2Low99 Ų9999.6 Ų99.637%0.37450%0.495SS..Hα-helixtrans-62.3-50.1173.2-65.4-178.2-172.9-158.9-8.5111.4E47 P48 S49 F50 N56 S57E47-R53 IonicContact OE1-CZ 3.78Å; E47-R53 IonicContact OE1-NH2 3.49Å; E47-R53 PolarHBondContact OE1-NH2 2.95Å; E47-R53 IonicContact OE2-CZ 3.8Å; E47-R53 IonicContact OE2-NH1 2.71Å; E47-R53 IonicContact OE2-NH2 2.67Å; E47-R53 PolarHBondContact OE2-NH2 3.27Å; P48-R53 HydrophobicContact CB-CG 4.12Å; P48-R53 HydrophobicContact CG-CG 3.85Å; P48-R53 PolarHBondContact O-NE 2.84Å; P48-R53 VanDerWaalsContact O-NE 3.14Å; S49-R53 PolarHBondContact O-N 2.73Å; F50-R53 PolarHBondContact O-N 2.91Å; R53-N56 PolarHBondContact O-N 2.83Å; R53-S57 VanDerWaalsContact O-CB 3.27Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.39Å
54M64.9Low59.2Low41 Ų4199.2 Ų99.220%0.20250%0.498CS..Hα-helixtrans-62.6-44.9179.5179.4174-81.400111.7I16 F50 W51 S57 F58I16-M54 HydrophobicContact CD1-CE 3.29Å; I16-M54 HydrophobicContact CD1-SD 3.33Å; I16-M54 WeakPolarHBondContact CD1-SD 3.16Å; I16-M54 HydrophobicContact CG1-CE 3.68Å; I16-M54 HydrophobicContact CG1-SD 4.37Å; F50-M54 HydrophobicContact CE1-CE 3.5Å; F50-M54 HydrophobicContact CE1-SD 4Å; F50-M54 HydrophobicContact CE2-CE 4Å; F50-M54 HydrophobicContact CZ-CE 3.17Å; F50-M54 HydrophobicContact CZ-SD 4.27Å; F50-M54 VanDerWaalsContact O-CB 3.24Å; F50-M54 WeakPolarHBondContact O-CB 3.2Å; F50-M54 PolarHBondContact O-N 2.72Å; W51-M54 HydrophobicContact CZ3-SD 4.21Å; M54-S57 PolarHBondContact O-N 2.88Å; M54-F58 VanDerWaalsContact O-CB 3.24Å; M54-F58 WeakPolarHBondContact O-CB 3.41Å; M54-F58 PolarHBondContact O-N 3.21Å
55W65.8Low59.3Low138 Ų13895.6 Ų95.652%0.52349%0.493SS..Hα-helixtrans-65.2-46.7178.4-169.3-102.3000111.2F9 W51 S57 F58 T59F9-W55 HydrophobicContact CD2-CZ3 4.36Å; F9-W55 AromaticContact CE2-CZ3 3.88Å; F9-W55 HydrophobicContact CE2-CZ3 3.88Å; W51-W55 WeakPolarHBondContact O-CA 3.38Å; W51-W55 WeakPolarHBondContact O-CB 3.44Å; W51-W55 PolarHBondContact O-N 3.12Å; W55-S57 VanDerWaalsContact C-N 3.3Å; W55-S57 PolarHBondContact O-N 3.48Å; W55-F58 PolarHBondContact O-N 3.46Å; W55-T59 HydrophobicContact CD2-CG2 4.23Å; W55-T59 HydrophobicContact CG-CG2 4.29Å; W55-T59 HydrophobicContact CZ2-CG2 4.25Å; W55-T59 WeakPolarHBondContact O-CB 3.33Å; W55-T59 WeakPolarHBondContact O-CG2 3.29Å; W55-T59 PolarHBondContact O-N 3.28Å; W55-T59 PolarHBondContact O-OG1 3.3Å
56N67.7Low59.1Low90 Ų9094.9 Ų94.948%0.48149%0.494SS..Hα-helixtrans-59.8-42.7175.7-71.7-10.9000111.6R52 R53 T59 S60R52-N56 VanDerWaalsContact O-CB 3.23Å; R52-N56 WeakPolarHBondContact O-CB 3.46Å; R52-N56 PolarHBondContact O-N 3.08Å; R52-N56 PolarHBondContact O-ND2 3.03Å; R52-N56 PolarHBondContact O-OD1 2.86Å; R53-N56 PolarHBondContact O-N 2.83Å; N56-T59 WeakPolarHBondContact CA-OG1 3.48Å; N56-T59 PolarHBondContact O-OG1 2.79Å; N56-S60 VanDerWaalsContact O-CB 3.29Å; N56-S60 WeakPolarHBondContact O-CB 3.48Å; N56-S60 PolarHBondContact O-N 2.91Å
57S66.4Low58.3Low46 Ų4692.5 Ų92.532%0.32250%0.496SS..Hα-helixtrans-65.2-44.1177.5-161.10000110.8R53 M54 W55 S60 M61R53-S57 VanDerWaalsContact O-CB 3.27Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.39Å; M54-S57 PolarHBondContact O-N 2.88Å; W55-S57 VanDerWaalsContact C-N 3.3Å; W55-S57 PolarHBondContact O-N 3.48Å; S57-S60 PolarHBondContact O-N 2.84Å; S57-S60 PolarHBondContact O-OG 3.29Å; S57-M61 WeakPolarHBondContact O-CG 3.34Å; S57-M61 PolarHBondContact O-N 2.79Å
58F62.6Low57.3Low34 Ų3490.7 Ų90.715%0.14950%0.5CS..Hα-helixtrans-64.9-49.7177-175.3-94.4000111.9L8 F9 A12 M54 W55 S60 M61 F62L8-F58 HydrophobicContact CB-CZ 4.43Å; F9-F58 HydrophobicContact CB-CZ 4.28Å; F9-F58 HydrophobicContact CD2-CZ 4.46Å; A12-F58 HydrophobicContact CB-CD2 4.41Å; A12-F58 HydrophobicContact CB-CE2 4.12Å; M54-F58 VanDerWaalsContact O-CB 3.24Å; M54-F58 WeakPolarHBondContact O-CB 3.41Å; M54-F58 PolarHBondContact O-N 3.21Å; W55-F58 PolarHBondContact O-N 3.46Å; F58-S60 PolarHBondContact O-N 3.48Å; F58-M61 WeakPolarHBondContact O-CA 3.41Å; F58-M61 VanDerWaalsContact O-CB 3.31Å; F58-M61 WeakPolarHBondContact O-CB 3.05Å; F58-M61 PolarHBondContact O-N 3.16Å; F58-F62 HydrophobicContact CD1-CD2 4.03Å; F58-F62 HydrophobicContact CD1-CE2 4.1Å; F58-F62 HydrophobicContact CD2-CE2 4.01Å; F58-F62 AromaticContact CE1-CD2 3.74Å; F58-F62 HydrophobicContact CE1-CD2 3.74Å; F58-F62 AromaticContact CE1-CE2 3.62Å; F58-F62 HydrophobicContact CE1-CE2 3.62Å; F58-F62 HydrophobicContact CE2-CD2 4.4Å; F58-F62 AromaticContact CE2-CE2 3.54Å; F58-F62 HydrophobicContact CE2-CE2 3.54Å; F58-F62 HydrophobicContact CE2-CZ 4.31Å; F58-F62 HydrophobicContact CG-CD2 4.46Å; F58-F62 HydrophobicContact CG-CE2 4.28Å; F58-F62 AromaticContact CZ-CD2 3.95Å; F58-F62 HydrophobicContact CZ-CD2 3.95Å; F58-F62 AromaticContact CZ-CE2 3.32Å; F58-F62 HydrophobicContact CZ-CE2 3.32Å; F58-F62 HydrophobicContact CZ-CZ 4.09Å; F58-F62 VanDerWaalsContact O-CD2 3.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.41Å
59T63.2Low55.8Low55 Ų5594 Ų9434%0.33752%0.524SS..Hα-helixtrans-63.6-31.7177.955.90000111.6W55 N56 M61 F62 G63W55-T59 HydrophobicContact CD2-CG2 4.23Å; W55-T59 HydrophobicContact CG-CG2 4.29Å; W55-T59 HydrophobicContact CZ2-CG2 4.25Å; W55-T59 WeakPolarHBondContact O-CB 3.33Å; W55-T59 WeakPolarHBondContact O-CG2 3.29Å; W55-T59 PolarHBondContact O-N 3.28Å; W55-T59 PolarHBondContact O-OG1 3.3Å; N56-T59 WeakPolarHBondContact CA-OG1 3.48Å; N56-T59 PolarHBondContact O-OG1 2.79Å; T59-M61 PolarHBondContact O-N 2.92Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 PolarHBondContact O-N 2.81Å; T59-F62 VanDerWaalsContact O-N 3.1Å; T59-G63 VanDerWaalsContact O-CA 3.31Å; T59-G63 WeakPolarHBondContact O-CA 3.43Å; T59-G63 PolarHBondContact O-N 3.18Å
60S65.5Low54.2Low74 Ų7493.4 Ų93.452%0.51753%0.529SS..Hα-helixtrans-63.4-25.9172.7800000112.9N56 S57 F58 F62N56-S60 VanDerWaalsContact O-CB 3.29Å; N56-S60 WeakPolarHBondContact O-CB 3.48Å; N56-S60 PolarHBondContact O-N 2.91Å; S57-S60 PolarHBondContact O-N 2.84Å; S57-S60 PolarHBondContact O-OG 3.29Å; F58-S60 PolarHBondContact O-N 3.48Å; S60-F62 VanDerWaalsContact C-N 3.32Å
61M55.2Low53.1Low105 Ų10596.1 Ų96.152%0.51755%0.553SS.*Hα-helixtrans-75.1-21.2175.3-60.7179.493.300113S57 F58 T59S57-M61 WeakPolarHBondContact O-CG 3.34Å; S57-M61 PolarHBondContact O-N 2.79Å; F58-M61 WeakPolarHBondContact O-CA 3.41Å; F58-M61 VanDerWaalsContact O-CB 3.31Å; F58-M61 WeakPolarHBondContact O-CB 3.05Å; F58-M61 PolarHBondContact O-N 3.16Å; T59-M61 PolarHBondContact O-N 2.92Å
62F53.7Low51.9Low86 Ų8698 Ų9838%0.37757%0.572SS.*Hα-helixtrans-113.4-16.5-178.2-65.6-76000113.9L8 F58 T59 S60L8-F62 HydrophobicContact CB-CE1 4.44Å; L8-F62 HydrophobicContact CB-CZ 3.72Å; L8-F62 HydrophobicContact CD1-CE1 3.3Å; L8-F62 HydrophobicContact CD1-CZ 3.32Å; L8-F62 HydrophobicContact CD2-CZ 4.42Å; L8-F62 HydrophobicContact CG-CE1 4.39Å; L8-F62 HydrophobicContact CG-CZ 3.97Å; F58-F62 HydrophobicContact CD1-CD2 4.03Å; F58-F62 HydrophobicContact CD1-CE2 4.1Å; F58-F62 HydrophobicContact CD2-CE2 4.01Å; F58-F62 AromaticContact CE1-CD2 3.74Å; F58-F62 HydrophobicContact CE1-CD2 3.74Å; F58-F62 AromaticContact CE1-CE2 3.62Å; F58-F62 HydrophobicContact CE1-CE2 3.62Å; F58-F62 HydrophobicContact CE2-CD2 4.4Å; F58-F62 AromaticContact CE2-CE2 3.54Å; F58-F62 HydrophobicContact CE2-CE2 3.54Å; F58-F62 HydrophobicContact CE2-CZ 4.31Å; F58-F62 HydrophobicContact CG-CD2 4.46Å; F58-F62 HydrophobicContact CG-CE2 4.28Å; F58-F62 AromaticContact CZ-CD2 3.95Å; F58-F62 HydrophobicContact CZ-CD2 3.95Å; F58-F62 AromaticContact CZ-CE2 3.32Å; F58-F62 HydrophobicContact CZ-CE2 3.32Å; F58-F62 HydrophobicContact CZ-CZ 4.09Å; F58-F62 VanDerWaalsContact O-CD2 3.26Å; F58-F62 WeakPolarHBondContact O-CD2 3.41Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 PolarHBondContact O-N 2.81Å; T59-F62 VanDerWaalsContact O-N 3.1Å; S60-F62 VanDerWaalsContact C-N 3.32Å
63G46.8Very low50.9Low50 Ų5098.4 Ų98.452%0.51559%0.586SS.*  trans-104.523-164.100000115.6T59T59-G63 VanDerWaalsContact O-CA 3.31Å; T59-G63 WeakPolarHBondContact O-CA 3.43Å; T59-G63 PolarHBondContact O-N 3.18Å
64S41.5Very low49.6Very low108 Ų108102.5 Ų102.576%0.75561%0.607SS**  trans-112.973.8165.6-65.40000109.9
65S41.3Very low48.7Very low104 Ų104107.7 Ų107.773%0.72764%0.636SS**  trans-124.550.4158.2-68.20000108.7S67S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.73Å
66D42Very low47.8Very low153 Ų153107.3 Ų107.382%0.81865%0.649SS**  trans-85.587.9165.1-76.9-24.2000108.4S68D66-S68 PolarHBondContact O-N 3.5Å
67S36.3Very low46.5Very low121 Ų121112.4 Ų112.485%0.84667%0.667SS**  trans-56.489150.948.70000109S65S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.73Å
68S36.4Very low45.1Very low106 Ų106115.6 Ų115.674%0.74169%0.689SS**  trans-114.296.7166.7-178.40000108.8D66D66-S68 PolarHBondContact O-N 3.5Å
69S31.4Very low44.2Very low122 Ų122119.5 Ų119.585%0.85372%0.717SS**  trans-79.6129.7167.680.30000109
70G34.9Very low43.1Very low58 Ų58123.9 Ų123.960%0.59874%0.739SS**  trans105.3109162.600000114.8
71T40.9Very low42.1Very low145 Ų145125.1 Ų125.189%0.8975%0.745SS**  177.3145.588.929.30000110.1
72N40.5Very low41.4Very low160 Ų160127 Ų12786%0.85676%0.757SS**  trans-67.1136.9-170.2-55-58.5000112.8
73N42.9Very low41.1Very low171 Ų171129.2 Ų129.291%0.91478%0.778SS**  trans-150.3128.9138.3-122.7-7.6000111
74K42.8Very low40.8Very low186 Ų186132.8 Ų132.881%0.80979%0.79SS**  trans-78.1167.3-179.1-106.9175.9176.8175.40110.8
75D45.5Very low40.7Very low150 Ų150134.2 Ų134.280%0.80279%0.785SS**  trans90.1123172.2-47.5-41.5000112.9
76T45.5Very low41Very low130 Ų130134.3 Ų134.380%0.79879%0.792SS**  cis-16114525.4-30.20000110.7
77K41.7Very low41.1Very low197 Ų197134.5 Ų134.586%0.85779%0.786SS**  trans82.296.2144.7-135.2170.8-175177.90121.5
78S36.9Very low41.7Very low112 Ų112134 Ų13478%0.78378%0.782SS**  trans67120.6131.5-152.40000120.7
79P43.4Very low42.4Very low116 Ų116134.1 Ų134.175%0.75377%0.774SS**  trans-90.3140.1-176.936.5-31.5000112.1
80N40.5Very low43.7Very low147 Ų147131 Ų13179%0.78675%0.751SS**  trans-123.1104158.9-17314000108.8
81P43.3Very low44.7Very low100 Ų100134.6 Ų134.665%0.64976%0.757SS**  trans-96.7104.1170.732.2-20000107.5
82N41.6Very low45.3Very low145 Ų145135 Ų13578%0.77575%0.746SS**  trans175.883.1161.3-86.6-21.1000112.3
83T46Very low46.3Very low133 Ų133131.8 Ų131.882%0.81673%0.726SS**  trans-173.695.9142.1-2.20000108.5
84T42.1Very low47.2Very low124 Ų124132.8 Ų132.876%0.76172%0.717SS**  69.8109.298.7-42.10000113.2
85E39Very low48.3Very low138 Ų138127.2 Ų127.265%0.64570%0.695SS**  trans6869.3167.8-62.6-167-173.700118.5K87E85-K87 PolarHBondContact O-N 2.93Å; E85-K87 IonicContact OE2-NZ 2.72Å; E85-K87 PolarHBondContact OE2-NZ 2.83Å
86A46.5Very low48.9Very low107 Ų107125.3 Ų125.388%0.88468%0.683SS**  trans-6874.1143.500000108.4S88A86-S88 PolarHBondContact O-N 3.33Å
87K45.2Very low49.8Very low157 Ų157124.6 Ų124.668%0.68367%0.674SS**  trans-57.4100.9159.5-91.7-176.8176.2104.90105.1E85 L89E85-K87 PolarHBondContact O-N 2.93Å; E85-K87 IonicContact OE2-NZ 2.72Å; E85-K87 PolarHBondContact OE2-NZ 2.83Å; K87-L89 PolarHBondContact O-N 3Å
88S49.5Very low50.9Low109 Ų109121.6 Ų121.676%0.76266%0.661SS**  trans-53.691.816752.70000106.7A86 S90A86-S88 PolarHBondContact O-N 3.33Å; S88-S90 PolarHBondContact O-N 3.38Å
89L49.5Very low52Low110 Ų110119.6 Ų119.658%0.57664%0.638SS**  trans-49115.3165.2-78166.8000104.3K87 L91 E93K87-L89 PolarHBondContact O-N 3Å; L89-L91 PolarHBondContact O-N 3.45Å; L89-E93 WeakPolarHBondContact CA-OE2 3.25Å; L89-E93 HydrophobicContact CB-CB 4.4Å; L89-E93 HydrophobicContact CD2-CB 4.39Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.45Å
90S59.2Low52.8Low55 Ų55118.9 Ų118.939%0.38563%0.628SS.*  trans-52.5142.3-171.763.50000107.3S88 K92 E93 R94S88-S90 PolarHBondContact O-N 3.38Å; S90-K92 CarbonylContact O-C 3.54Å; S90-K92 PolarHBondContact O-N 2.92Å; S90-E93 PolarHBondContact N-OE2 3.38Å; S90-E93 VanDerWaalsContact N-OE2 3.16Å; S90-E93 PolarHBondContact O-N 3.44Å; S90-E93 PolarHBondContact OG-N 3.33Å; S90-R94 PolarHBondContact O-N 2.94Å
91L55.7Low53.9Low135 Ų135115.7 Ų115.771%0.70762%0.618SS**Hα-helixtrans-42.7-35.3177.6-167.392.1000111.3L89 R94 I95L89-L91 PolarHBondContact O-N 3.45Å; L91-R94 PolarHBondContact O-N 3.39Å; L91-I95 HydrophobicContact CD2-CD1 3.81Å; L91-I95 HydrophobicContact CG-CD1 3.88Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 WeakPolarHBondContact O-CD1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 2.93Å
92K53.7Low54.6Low153 Ų153115.4 Ų115.467%0.66561%0.61SS**Hα-helixtrans-53.1-50.3171.3-168.5-177.2177.7-175.90114.3S90 I95 M96S90-K92 CarbonylContact O-C 3.54Å; S90-K92 PolarHBondContact O-N 2.92Å; K92-I95 PolarHBondContact O-N 3.43Å; K92-M96 VanDerWaalsContact O-CB 3.3Å; K92-M96 WeakPolarHBondContact O-CB 3.28Å; K92-M96 PolarHBondContact O-N 3.36Å
93E61.8Low55.3Low93 Ų93111.7 Ų111.744%0.43559%0.587SS.*Hα-helixtrans-66.8-38.4177.8-76.1169.6133.500112.3L89 S90 I95 M96 N97L89-E93 WeakPolarHBondContact CA-OE2 3.25Å; L89-E93 HydrophobicContact CB-CB 4.4Å; L89-E93 HydrophobicContact CD2-CB 4.39Å; L89-E93 WeakPolarHBondContact CD2-OE2 3.45Å; S90-E93 PolarHBondContact N-OE2 3.38Å; S90-E93 VanDerWaalsContact N-OE2 3.16Å; S90-E93 PolarHBondContact O-N 3.44Å; S90-E93 PolarHBondContact OG-N 3.33Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 2.93Å; E93-M96 PolarHBondContact O-N 3.47Å; E93-N97 WeakPolarHBondContact O-CB 3.4Å; E93-N97 PolarHBondContact O-N 3.33Å
94R61.6Low55.7Low192 Ų192108.2 Ų108.273%0.72558%0.577SS**Hα-helixtrans-62.3-40.6174.3-109.8-178.6166.4-177.2-3.9111.8S90 L91 K98S90-R94 PolarHBondContact O-N 2.94Å; L91-R94 PolarHBondContact O-N 3.39Å; R94-K98 WeakPolarHBondContact O-CB 3.16Å; R94-K98 PolarHBondContact O-N 3.23Å
95I65.8Low56.3Low68 Ų68110.6 Ų110.635%0.34958%0.579SS.*Hα-helixtrans-67-48.3174.2-68163.8000109.6L91 K92 E93 N97 K98 F99L91-I95 HydrophobicContact CD2-CD1 3.81Å; L91-I95 HydrophobicContact CG-CD1 3.88Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 WeakPolarHBondContact O-CD1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 2.93Å; K92-I95 PolarHBondContact O-N 3.43Å; E93-I95 VanDerWaalsContact C-N 3.3Å; E93-I95 PolarHBondContact O-N 2.93Å; I95-N97 PolarHBondContact O-N 3.47Å; I95-K98 PolarHBondContact O-N 3.48Å; I95-F99 HydrophobicContact CG2-CD2 3.68Å; I95-F99 HydrophobicContact CG2-CE2 3.9Å; I95-F99 WeakPolarHBondContact O-CB 3.44Å; I95-F99 WeakPolarHBondContact O-CD2 3.3Å; I95-F99 PolarHBondContact O-N 3.04Å
96M59.1Low57Low111 Ų111111.7 Ų111.755%0.54758%0.584SS.*Hα-helixtrans-62.1-45.2-177.1-152.5102.6156.600112.2K92 E93 F99 N100K92-M96 VanDerWaalsContact O-CB 3.3Å; K92-M96 WeakPolarHBondContact O-CB 3.28Å; K92-M96 PolarHBondContact O-N 3.36Å; E93-M96 PolarHBondContact O-N 3.47Å; M96-F99 PolarHBondContact O-N 3.25Å; M96-N100 WeakPolarHBondContact O-CB 3.43Å; M96-N100 VanDerWaalsContact O-CG 3.31Å; M96-N100 PolarHBondContact O-N 3.03Å
97N64.3Low57.2Low115 Ų115113.6 Ų113.662%0.61558%0.575SS**Hα-helixtrans-66.3-38.1177.7-87.97.3000112.3E93 I95 S101E93-N97 WeakPolarHBondContact O-CB 3.4Å; E93-N97 PolarHBondContact O-N 3.33Å; I95-N97 PolarHBondContact O-N 3.47Å; N97-S101 WeakPolarHBondContact O-CB 3.47Å; N97-S101 PolarHBondContact O-N 3.21Å
98K63.5Low57.4Low134 Ų134109.4 Ų109.458%0.58356%0.556SS**Hα-helixtrans-70.6-37.6174.5-86.6-178.5173.5-81.20112.1R94 I95 S101 I102R94-K98 WeakPolarHBondContact O-CB 3.16Å; R94-K98 PolarHBondContact O-N 3.23Å; I95-K98 PolarHBondContact O-N 3.48Å; K98-S101 PolarHBondContact O-N 3.44Å; K98-I102 WeakPolarHBondContact O-CB 3.34Å; K98-I102 WeakPolarHBondContact O-CD1 3.47Å; K98-I102 WeakPolarHBondContact O-CG1 3.44Å; K98-I102 PolarHBondContact O-N 3.26Å
99F60.7Low57.4Low69 Ų69109.2 Ų109.230%0.30355%0.546SS..Hα-helixtrans-59.6-50.3171.6-101.2-93.2000110.7L15 I95 M96 S101 I102 F103L15-F99 HydrophobicContact CB-CE1 4.36Å; L15-F99 HydrophobicContact CD1-CE1 3.45Å; L15-F99 VanDerWaalsContact CD1-CE1 3.45Å; L15-F99 HydrophobicContact CD1-CZ 3.52Å; L15-F99 HydrophobicContact CG-CE1 4.42Å; I95-F99 HydrophobicContact CG2-CD2 3.68Å; I95-F99 HydrophobicContact CG2-CE2 3.9Å; I95-F99 WeakPolarHBondContact O-CB 3.44Å; I95-F99 WeakPolarHBondContact O-CD2 3.3Å; I95-F99 PolarHBondContact O-N 3.04Å; M96-F99 PolarHBondContact O-N 3.25Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.48Å; F99-I102 PolarHBondContact O-N 3.49Å; F99-F103 AromaticContact CD1-CD2 3.68Å; F99-F103 HydrophobicContact CD1-CD2 3.68Å; F99-F103 AromaticContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CE1-CD2 4.25Å; F99-F103 AromaticContact CE1-CE2 3.6Å; F99-F103 HydrophobicContact CE1-CE2 3.6Å; F99-F103 HydrophobicContact CE1-CZ 4.47Å; F99-F103 HydrophobicContact CG-CD2 4.46Å; F99-F103 HydrophobicContact CG-CE2 4.46Å; F99-F103 WeakPolarHBondContact O-CB 3.42Å; F99-F103 VanDerWaalsContact O-CD2 3.25Å; F99-F103 WeakPolarHBondContact O-CD2 3.33Å; F99-F103 PolarHBondContact O-N 3.01Å
100N59.7Low57.4Low102 Ų102105.1 Ų105.155%0.54553%0.526SS..Hα-helixtrans-63.1-31.6177.5-70.4-10.6000112.5M96 G104M96-N100 WeakPolarHBondContact O-CB 3.43Å; M96-N100 VanDerWaalsContact O-CG 3.31Å; M96-N100 PolarHBondContact O-N 3.03Å; N100-G104 WeakPolarHBondContact O-CA 3.17Å; N100-G104 PolarHBondContact O-N 2.87Å
101S63.1Low57.1Low80 Ų80107 Ų10756%0.55954%0.537SS*.Hα-helixtrans-73.8-36.6174.8172.80000113.1N97 K98 F99N97-S101 WeakPolarHBondContact O-CB 3.47Å; N97-S101 PolarHBondContact O-N 3.21Å; K98-S101 PolarHBondContact O-N 3.44Å; F99-S101 VanDerWaalsContact C-N 3.26Å; F99-S101 PolarHBondContact O-N 3.48Å
102I58.1Low56.9Low94 Ų94109.4 Ų109.448%0.48254%0.541SS..Hα-helixtrans-74.8-33.7179.2-67.7164.4000111.1K98 F99K98-I102 WeakPolarHBondContact O-CB 3.34Å; K98-I102 WeakPolarHBondContact O-CD1 3.47Å; K98-I102 WeakPolarHBondContact O-CG1 3.44Å; K98-I102 PolarHBondContact O-N 3.26Å; F99-I102 PolarHBondContact O-N 3.49Å
103F57Low56.7Low67 Ų67109.5 Ų109.529%0.29455%0.549SS..Hα-helixtrans-106.8-7.2-174.8-68.2-76.4000114.2I16 N19 F99I16-F103 HydrophobicContact CG1-CZ 4.38Å; N19-F103 WeakPolarHBondContact ND2-CD1 3.16Å; F99-F103 AromaticContact CD1-CD2 3.68Å; F99-F103 HydrophobicContact CD1-CD2 3.68Å; F99-F103 AromaticContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CD1-CE2 3.5Å; F99-F103 HydrophobicContact CE1-CD2 4.25Å; F99-F103 AromaticContact CE1-CE2 3.6Å; F99-F103 HydrophobicContact CE1-CE2 3.6Å; F99-F103 HydrophobicContact CE1-CZ 4.47Å; F99-F103 HydrophobicContact CG-CD2 4.46Å; F99-F103 HydrophobicContact CG-CE2 4.46Å; F99-F103 WeakPolarHBondContact O-CB 3.42Å; F99-F103 VanDerWaalsContact O-CD2 3.25Å; F99-F103 WeakPolarHBondContact O-CD2 3.33Å; F99-F103 PolarHBondContact O-N 3.01Å
104G54.3Low56.4Low59 Ų59106.5 Ų106.561%0.60854%0.539SS*.SBendtrans-94.8-4.2-170.800000116.1N100N100-G104 WeakPolarHBondContact O-CA 3.17Å; N100-G104 PolarHBondContact O-N 2.87Å
105E54.7Low56.3Low174 Ų174101.8 Ų101.881%0.81353%0.528SS*.SBendtrans-117.6-13-174.5-77.5-168.2155.600116.3
106E54.8Low55.8Low161 Ų161101.4 Ų101.475%0.75252%0.524SS*.SBendtrans-138.2121.7178.4-69.2-170.3164.800112Y108E106-Y108 VanDerWaalsContact C-N 3.35Å; E106-Y108 PolarHBondContact O-N 2.9Å
107E50.5Low55.6Low147 Ų14799.8 Ų99.869%0.68752%0.52SS*.  trans-57.789178.7-165.8172.8-167.800110.4V23 N109V23-E107 HydrophobicContact CG1-CG 3.99Å; E107-N109 PolarHBondContact O-N 3.44Å; E107-N109 VanDerWaalsContact O-N 3.08Å
108Y49.3Very low55.4Low70 Ų70100.6 Ų100.628%0.27552%0.52SS..  trans-68.4106.1178.5-177.4-106000110.1I16 A20 F50 E106 P110I16-Y108 HydrophobicContact CG2-CE1 4.42Å; A20-Y108 HydrophobicContact CB-CD1 4.47Å; A20-Y108 HydrophobicContact CB-CE1 4.01Å; F50-Y108 HydrophobicContact CE1-CE2 4.32Å; F50-Y108 HydrophobicContact CE2-CD2 4.44Å; F50-Y108 HydrophobicContact CE2-CE2 4.29Å; F50-Y108 HydrophobicContact CZ-CD2 4.45Å; F50-Y108 AromaticContact CZ-CE2 3.96Å; F50-Y108 HydrophobicContact CZ-CE2 3.96Å; E106-Y108 VanDerWaalsContact C-N 3.35Å; E106-Y108 PolarHBondContact O-N 2.9Å; Y108-P110 HydrophobicContact CD1-CG 4.03Å; Y108-P110 HydrophobicContact CE1-CB 3.94Å; Y108-P110 HydrophobicContact CE1-CG 3.51Å; Y108-P110 WeakPolarHBondContact O-CD 3.19Å
109N48.2Very low55.2Low105 Ų105101.8 Ų101.856%0.56152%0.521SS*.  trans-119.183179.8-128.6-26.5000109.5V23 E107V23-N109 PolarHBondContact O-OD1 3.43Å; E107-N109 PolarHBondContact O-N 3.44Å; E107-N109 VanDerWaalsContact O-N 3.08Å
110P51.2Low55.3Low23 Ų2399.6 Ų99.615%0.14951%0.513CS..  trans-70.8142.3178.128.1-30.8000110.1A20 Y108 K112A20-P110 HydrophobicContact CB-CG 3.54Å; Y108-P110 HydrophobicContact CD1-CG 4.03Å; Y108-P110 HydrophobicContact CE1-CB 3.94Å; Y108-P110 HydrophobicContact CE1-CG 3.51Å; Y108-P110 WeakPolarHBondContact O-CD 3.19Å; P110-K112 PolarHBondContact O-N 2.83Å
111P51.8Low55.3Low96 Ų96101.8 Ų101.862%0.62351%0.513SS*.  trans-55.1126.2174-20.629.8000110.4D113 S114P111-D113 PolarHBondContact O-N 3.45Å; P111-S114 WeakPolarHBondContact O-CB 3.29Å; P111-S114 PolarHBondContact O-N 3.26Å; P111-S114 PolarHBondContact O-OG 3.05Å
112K52.1Low55.2Low184 Ų184103.7 Ų103.780%0.852%0.515SS*.THydrogen-bonded Turntrans-56.5-21.8-176.7-80.6-177.7175179.30114P110P110-K112 PolarHBondContact O-N 2.83Å
113D49.7Very low55.4Low155 Ų155102.9 Ų102.983%0.82951%0.511SS*.THydrogen-bonded Turntrans-11324.4-178-51.4-50.3000112.5P111 D115P111-D113 PolarHBondContact O-N 3.45Å; D113-D115 PolarHBondContact O-N 2.76Å
114S55.1Low55.7Low30 Ų30102.6 Ų102.621%0.2151%0.51CS..  trans-71.2120174.758.90000110.2P111 F116 T117P111-S114 WeakPolarHBondContact O-CB 3.29Å; P111-S114 PolarHBondContact O-N 3.26Å; P111-S114 PolarHBondContact O-OG 3.05Å; S114-F116 PolarHBondContact O-N 3.03Å; S114-T117 PolarHBondContact O-N 3.26Å
115D58.7Low56.1Low94 Ų94104.6 Ų104.650%0.50350%0.502SS..Hα-helixtrans-35.7-28.2159.2-91.314000113D113 E118 R119D113-D115 PolarHBondContact O-N 2.76Å; D115-E118 PolarHBondContact O-N 3.48Å; D115-R119 WeakPolarHBondContact O-CB 3.33Å; D115-R119 WeakPolarHBondContact O-CG 3.32Å; D115-R119 PolarHBondContact O-N 3.35Å; D115-R119 IonicContact OD2-CZ 3.78Å; D115-R119 IonicContact OD2-NE 3.89Å; D115-R119 IonicContact OD2-NH2 2.92Å; D115-R119 PolarHBondContact OD2-NH2 3.44Å
116F55.6Low56.3Low59 Ų59102.1 Ų102.126%0.25949%0.49SS..Hα-helixtrans-56.2-48175.9-177.8-104.8000113.1W51 S114 E118 R119 L120W51-F116 AromaticContact CH2-CE2 3.63Å; W51-F116 HydrophobicContact CH2-CE2 3.63Å; W51-F116 AromaticContact CH2-CZ 3.52Å; W51-F116 HydrophobicContact CH2-CZ 3.52Å; W51-F116 HydrophobicContact CZ2-CD2 4.1Å; W51-F116 HydrophobicContact CZ2-CE1 4.25Å; W51-F116 AromaticContact CZ2-CE2 3.2Å; W51-F116 HydrophobicContact CZ2-CE2 3.2Å; W51-F116 AromaticContact CZ2-CZ 3.29Å; W51-F116 HydrophobicContact CZ2-CZ 3.29Å; S114-F116 PolarHBondContact O-N 3.03Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.78Å; F116-R119 PolarHBondContact O-N 3.44Å; F116-L120 HydrophobicContact CE1-CB 4.47Å; F116-L120 HydrophobicContact CE1-CD2 3.81Å; F116-L120 HydrophobicContact CE2-CD1 4.34Å; F116-L120 HydrophobicContact CZ-CB 4.39Å; F116-L120 HydrophobicContact CZ-CD1 3.83Å; F116-L120 HydrophobicContact CZ-CD2 3.97Å; F116-L120 HydrophobicContact CZ-CG 4.3Å; F116-L120 WeakPolarHBondContact O-CB 3.4Å; F116-L120 PolarHBondContact O-N 2.79Å
117T55.6Low56.4Low77 Ų7795.7 Ų95.747%0.47246%0.462SS..Hα-helixtrans-64.5-40.3-178.7-54.60000110.9S114 L120 W121S114-T117 PolarHBondContact O-N 3.26Å; T117-L120 PolarHBondContact O-N 3.3Å; T117-W121 WeakPolarHBondContact O-CB 3.42Å; T117-W121 PolarHBondContact O-N 2.89Å
118E58.8Low56.7Low132 Ų13292.6 Ų92.662%0.61745%0.447SS*.Hα-helixtrans-65.9-43.4174.7-70.4-163.3163.100112.3D115 F116 L120 W121 M122D115-E118 PolarHBondContact O-N 3.48Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.78Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-W121 PolarHBondContact O-N 3.22Å; E118-M122 WeakPolarHBondContact O-CB 3.24Å; E118-M122 WeakPolarHBondContact O-CG 3.37Å; E118-M122 PolarHBondContact O-N 2.85Å
119R60.4Low56.9Low160 Ų16095.1 Ų95.160%0.60446%0.464SS*.Hα-helixtrans-64.5-40.4176.3-72.2173.2-164.7-158.910.2111.5D115 F116 W121 M122 L123D115-R119 WeakPolarHBondContact O-CB 3.33Å; D115-R119 WeakPolarHBondContact O-CG 3.32Å; D115-R119 PolarHBondContact O-N 3.35Å; D115-R119 IonicContact OD2-CZ 3.78Å; D115-R119 IonicContact OD2-NE 3.89Å; D115-R119 IonicContact OD2-NH2 2.92Å; D115-R119 PolarHBondContact OD2-NH2 3.44Å; F116-R119 PolarHBondContact O-N 3.44Å; R119-W121 VanDerWaalsContact C-N 3.35Å; R119-M122 PolarHBondContact O-N 3.42Å; R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 PolarHBondContact O-N 3.41Å
120L62.2Low57.3Low23 Ų2393.4 Ų93.412%0.1246%0.455CS..Hα-helixtrans-65.7-40.8176-161.468.3000110.8I13 F116 T117 E118 L123 F124I13-L120 HydrophobicContact CB-CD1 4.21Å; I13-L120 HydrophobicContact CD1-CD1 4Å; I13-L120 HydrophobicContact CG1-CD1 3.98Å; I13-L120 HydrophobicContact CG2-CD1 3.32Å; I13-L120 HydrophobicContact CG2-CD2 3.92Å; I13-L120 HydrophobicContact CG2-CG 3.55Å; F116-L120 HydrophobicContact CE1-CB 4.47Å; F116-L120 HydrophobicContact CE1-CD2 3.81Å; F116-L120 HydrophobicContact CE2-CD1 4.34Å; F116-L120 HydrophobicContact CZ-CB 4.39Å; F116-L120 HydrophobicContact CZ-CD1 3.83Å; F116-L120 HydrophobicContact CZ-CD2 3.97Å; F116-L120 HydrophobicContact CZ-CG 4.3Å; F116-L120 WeakPolarHBondContact O-CB 3.4Å; F116-L120 PolarHBondContact O-N 2.79Å; T117-L120 PolarHBondContact O-N 3.3Å; E118-L120 VanDerWaalsContact C-N 3.34Å; L120-L123 PolarHBondContact O-N 3.11Å; L120-F124 VanDerWaalsContact O-CB 3.24Å; L120-F124 WeakPolarHBondContact O-CB 3.23Å; L120-F124 PolarHBondContact O-N 2.96Å
121W59.6Low57.4Low148 Ų14896.4 Ų96.456%0.56147%0.466SS*.Hα-helixtrans-69-38.7176.5-172.9-118.1000112.6T117 E118 R119 F124 K125T117-W121 WeakPolarHBondContact O-CB 3.42Å; T117-W121 PolarHBondContact O-N 2.89Å; E118-W121 PolarHBondContact O-N 3.22Å; R119-W121 VanDerWaalsContact C-N 3.35Å; W121-F124 HydrophobicContact CE3-CD1 4.24Å; W121-F124 HydrophobicContact CZ3-CD1 4.13Å; W121-F124 HydrophobicContact CZ3-CE1 4.38Å; W121-F124 PolarHBondContact O-N 2.94Å; W121-K125 WeakPolarHBondContact O-CB 3.26Å; W121-K125 WeakPolarHBondContact O-CG 3.32Å; W121-K125 PolarHBondContact O-N 3.42Å
122M62.2Low57.4Low119 Ų119100.1 Ų100.159%0.58647%0.472SS*.Hα-helixtrans-65.3-42172.2-78.4-158.7-81.200111.5E118 R119 K125 H126E118-M122 WeakPolarHBondContact O-CB 3.24Å; E118-M122 WeakPolarHBondContact O-CG 3.37Å; E118-M122 PolarHBondContact O-N 2.85Å; R119-M122 PolarHBondContact O-N 3.42Å; M122-K125 PolarHBondContact O-N 3.25Å; M122-H126 WeakPolarHBondContact O-CB 3.4Å; M122-H126 PolarHBondContact O-N 3.38Å
123L61.8Low57.5Low77 Ų7795.9 Ų95.940%0.40346%0.459SS..Hα-helixtrans-65.8-41.7175.3-170.365.4000111.3I13 R119 L120 H126 C127I13-L123 HydrophobicContact CD1-CD2 4.26Å; R119-L123 WeakPolarHBondContact O-CB 3.48Å; R119-L123 PolarHBondContact O-N 3.41Å; L120-L123 PolarHBondContact O-N 3.11Å; L123-H126 PolarHBondContact O-N 3.31Å; L123-C127 WeakPolarHBondContact O-CB 3.09Å; L123-C127 PolarHBondContact O-N 2.83Å; L123-C127 PolarHBondContact O-SG 3.45Å; L123-C127 VanDerWaalsContact O-SG 3.42Å
124F62.5Low57.4Low62 Ų6289.8 Ų89.827%0.27243%0.426SS..Hα-helixtrans-59.7-50.1173.7-178.9-91.5000110.7C14 L120 W121 H126 C127 F128C14-F124 WeakPolarHBondContact SG-CE2 3.38Å; L120-F124 VanDerWaalsContact O-CB 3.24Å; L120-F124 WeakPolarHBondContact O-CB 3.23Å; L120-F124 PolarHBondContact O-N 2.96Å; W121-F124 HydrophobicContact CE3-CD1 4.24Å; W121-F124 HydrophobicContact CZ3-CD1 4.13Å; W121-F124 HydrophobicContact CZ3-CE1 4.38Å; W121-F124 PolarHBondContact O-N 2.94Å; F124-H126 VanDerWaalsContact C-N 3.31Å; F124-H126 PolarHBondContact O-N 2.93Å; F124-C127 PolarHBondContact O-N 3.48Å; F124-F128 HydrophobicContact CD1-CD2 4.19Å; F124-F128 AromaticContact CD2-CD2 3.33Å; F124-F128 HydrophobicContact CD2-CD2 3.33Å; F124-F128 AromaticContact CD2-CE2 3.29Å; F124-F128 HydrophobicContact CD2-CE2 3.29Å; F124-F128 HydrophobicContact CD2-CG 4.29Å; F124-F128 HydrophobicContact CD2-CZ 4.23Å; F124-F128 HydrophobicContact CE1-CB 4.32Å; F124-F128 HydrophobicContact CE1-CD2 4.11Å; F124-F128 HydrophobicContact CE1-CG 4.19Å; F124-F128 HydrophobicContact CE2-CD1 4.28Å; F124-F128 AromaticContact CE2-CD2 3.21Å; F124-F128 HydrophobicContact CE2-CD2 3.21Å; F124-F128 HydrophobicContact CE2-CE1 4.15Å; F124-F128 AromaticContact CE2-CE2 3.05Å; F124-F128 HydrophobicContact CE2-CE2 3.05Å; F124-F128 AromaticContact CE2-CG 3.85Å; F124-F128 HydrophobicContact CE2-CG 3.85Å; F124-F128 AromaticContact CE2-CZ 3.55Å; F124-F128 HydrophobicContact CE2-CZ 3.55Å; F124-F128 AromaticContact CG-CD2 3.82Å; F124-F128 HydrophobicContact CG-CD2 3.82Å; F124-F128 HydrophobicContact CG-CE2 4.24Å; F124-F128 HydrophobicContact CZ-CB 4.4Å; F124-F128 HydrophobicContact CZ-CD1 4.16Å; F124-F128 AromaticContact CZ-CD2 3.64Å; F124-F128 HydrophobicContact CZ-CD2 3.64Å; F124-F128 HydrophobicContact CZ-CE1 4.33Å; F124-F128 AromaticContact CZ-CE2 3.86Å; F124-F128 HydrophobicContact CZ-CE2 3.86Å; F124-F128 AromaticContact CZ-CG 3.8Å; F124-F128 HydrophobicContact CZ-CG 3.8Å; F124-F128 HydrophobicContact CZ-CZ 4.19Å; F124-F128 VanDerWaalsContact O-CB 3.31Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 WeakPolarHBondContact O-CD2 3.38Å; F124-F128 PolarHBondContact O-N 2.81Å
125K62.4Low57.1Low101 Ų10190.9 Ų90.944%0.43944%0.436SS..Hα-helixtrans-56.1-46.5173.8-82.9-179.1174.3175.70111.3W121 M122 C127 L129W121-K125 WeakPolarHBondContact O-CB 3.26Å; W121-K125 WeakPolarHBondContact O-CG 3.32Å; W121-K125 PolarHBondContact O-N 3.42Å; M122-K125 PolarHBondContact O-N 3.25Å; K125-C127 PolarHBondContact O-N 3.48Å; K125-L129 HydrophobicContact CB-CD1 3.88Å; K125-L129 HydrophobicContact CG-CD1 4.14Å; K125-L129 WeakPolarHBondContact O-CA 3.4Å; K125-L129 WeakPolarHBondContact O-CB 3.4Å; K125-L129 WeakPolarHBondContact O-CD1 3.43Å; K125-L129 WeakPolarHBondContact O-CG 3.36Å; K125-L129 PolarHBondContact O-N 3.27Å
126H60.1Low56.7Low122 Ų12293.6 Ų93.657%0.56544%0.444SS*.Hα-helixtrans-65.1-40.7-179.3-170.9-92.2000112.4M122 L123 F124 N130M122-H126 WeakPolarHBondContact O-CB 3.4Å; M122-H126 PolarHBondContact O-N 3.38Å; L123-H126 PolarHBondContact O-N 3.31Å; F124-H126 VanDerWaalsContact C-N 3.31Å; F124-H126 PolarHBondContact O-N 2.93Å; H126-N130 PolarHBondContact NE2-ND2 3.24Å; H126-N130 VanDerWaalsContact O-CB 3.23Å; H126-N130 WeakPolarHBondContact O-CB 3.33Å; H126-N130 PolarHBondContact O-N 2.93Å; H126-N130 PolarHBondContact O-ND2 3.5Å
127C56.3Low56.4Low26 Ų2696 Ų9618%0.17646%0.458CS..Hα-helixtrans-74.3-41.1178.1-71.70000112.8L123 F124 K125 F131L123-C127 WeakPolarHBondContact O-CB 3.09Å; L123-C127 PolarHBondContact O-N 2.83Å; L123-C127 PolarHBondContact O-SG 3.45Å; L123-C127 VanDerWaalsContact O-SG 3.42Å; F124-C127 PolarHBondContact O-N 3.48Å; K125-C127 PolarHBondContact O-N 3.48Å; C127-F131 PolarHBondContact O-N 2.83Å
128F56.7Low56.1Low81 Ų8198.4 Ų98.436%0.35546%0.462SS..Hα-helixtrans-86.5-33-175.1-78.6-94000114C10 F124 F131C10-F128 HydrophobicContact CB-CE2 3.85Å; C10-F128 HydrophobicContact CB-CZ 4.06Å; F124-F128 HydrophobicContact CD1-CD2 4.19Å; F124-F128 AromaticContact CD2-CD2 3.33Å; F124-F128 HydrophobicContact CD2-CD2 3.33Å; F124-F128 AromaticContact CD2-CE2 3.29Å; F124-F128 HydrophobicContact CD2-CE2 3.29Å; F124-F128 HydrophobicContact CD2-CG 4.29Å; F124-F128 HydrophobicContact CD2-CZ 4.23Å; F124-F128 HydrophobicContact CE1-CB 4.32Å; F124-F128 HydrophobicContact CE1-CD2 4.11Å; F124-F128 HydrophobicContact CE1-CG 4.19Å; F124-F128 HydrophobicContact CE2-CD1 4.28Å; F124-F128 AromaticContact CE2-CD2 3.21Å; F124-F128 HydrophobicContact CE2-CD2 3.21Å; F124-F128 HydrophobicContact CE2-CE1 4.15Å; F124-F128 AromaticContact CE2-CE2 3.05Å; F124-F128 HydrophobicContact CE2-CE2 3.05Å; F124-F128 AromaticContact CE2-CG 3.85Å; F124-F128 HydrophobicContact CE2-CG 3.85Å; F124-F128 AromaticContact CE2-CZ 3.55Å; F124-F128 HydrophobicContact CE2-CZ 3.55Å; F124-F128 AromaticContact CG-CD2 3.82Å; F124-F128 HydrophobicContact CG-CD2 3.82Å; F124-F128 HydrophobicContact CG-CE2 4.24Å; F124-F128 HydrophobicContact CZ-CB 4.4Å; F124-F128 HydrophobicContact CZ-CD1 4.16Å; F124-F128 AromaticContact CZ-CD2 3.64Å; F124-F128 HydrophobicContact CZ-CD2 3.64Å; F124-F128 HydrophobicContact CZ-CE1 4.33Å; F124-F128 AromaticContact CZ-CE2 3.86Å; F124-F128 HydrophobicContact CZ-CE2 3.86Å; F124-F128 AromaticContact CZ-CG 3.8Å; F124-F128 HydrophobicContact CZ-CG 3.8Å; F124-F128 HydrophobicContact CZ-CZ 4.19Å; F124-F128 VanDerWaalsContact O-CB 3.31Å; F124-F128 WeakPolarHBondContact O-CB 3.39Å; F124-F128 WeakPolarHBondContact O-CD2 3.38Å; F124-F128 PolarHBondContact O-N 2.81Å; F128-F131 WeakPolarHBondContact O-CB 3.49Å; F128-F131 PolarHBondContact O-N 3.29Å
129L54.6Low55.3Low124 Ų12497 Ų9765%0.64947%0.467SS*.Hα-helixtrans-72-34.6173.3-70.1159.7000111.3K125 F131K125-L129 HydrophobicContact CB-CD1 3.88Å; K125-L129 HydrophobicContact CG-CD1 4.14Å; K125-L129 WeakPolarHBondContact O-CA 3.4Å; K125-L129 WeakPolarHBondContact O-CB 3.4Å; K125-L129 WeakPolarHBondContact O-CD1 3.43Å; K125-L129 WeakPolarHBondContact O-CG 3.36Å; K125-L129 PolarHBondContact O-N 3.27Å; L129-F131 PolarHBondContact O-N 2.82Å
130N54.9Low54.3Low68 Ų6897.9 Ų97.936%0.36449%0.491SS..THydrogen-bonded Turntrans-73.4-6168-72.9-45.8000112.8H126 K132 N133 L134H126-N130 PolarHBondContact NE2-ND2 3.24Å; H126-N130 VanDerWaalsContact O-CB 3.23Å; H126-N130 WeakPolarHBondContact O-CB 3.33Å; H126-N130 PolarHBondContact O-N 2.93Å; H126-N130 PolarHBondContact O-ND2 3.5Å; N130-K132 PolarHBondContact O-N 3.33Å; N130-N133 WeakPolarHBondContact O-CA 3.31Å; N130-N133 WeakPolarHBondContact O-CB 3.01Å; N130-N133 PolarHBondContact O-N 3.05Å; N130-L134 PolarHBondContact O-N 3.34Å
131F54.8Low53.9Low86 Ų86101.7 Ų101.738%0.37751%0.509SS..Hα-helixtrans-65.6-18.3174.9-145.2-87.2000112.3C127 F128 L129 N133 L134 A135 F138C127-F131 PolarHBondContact O-N 2.83Å; F128-F131 WeakPolarHBondContact O-CB 3.49Å; F128-F131 PolarHBondContact O-N 3.29Å; L129-F131 PolarHBondContact O-N 2.82Å; F131-N133 PolarHBondContact O-N 3.01Å; F131-L134 HydrophobicContact CB-CB 4.49Å; F131-L134 HydrophobicContact CD1-CB 3.99Å; F131-L134 HydrophobicContact CD2-CB 3.91Å; F131-L134 HydrophobicContact CD2-CD1 3.84Å; F131-L134 HydrophobicContact CD2-CD2 4.41Å; F131-L134 HydrophobicContact CD2-CG 4.27Å; F131-L134 HydrophobicContact CE1-CB 4.15Å; F131-L134 HydrophobicContact CE2-CB 4.08Å; F131-L134 HydrophobicContact CE2-CD1 4.28Å; F131-L134 HydrophobicContact CE2-CD2 4.03Å; F131-L134 HydrophobicContact CE2-CG 4.36Å; F131-L134 HydrophobicContact CG-CB 3.87Å; F131-L134 HydrophobicContact CG-CD1 4.37Å; F131-L134 HydrophobicContact CZ-CB 4.19Å; F131-L134 HydrophobicContact CZ-CD2 4.44Å; F131-L134 CarbonylContact O-C 3.57Å; F131-L134 PolarHBondContact O-N 3.21Å; F131-A135 WeakPolarHBondContact O-CB 3.35Å; F131-A135 PolarHBondContact O-N 2.81Å; F131-F138 HydrophobicContact CZ-CE2 4.49Å
132K51.5Low53.6Low175 Ų17599.2 Ų99.276%0.76151%0.506SS*.Hα-helixtrans-57.8-27.4166.5-75.8-175.1171.1179.30112.6N130N130-K132 PolarHBondContact O-N 3.33Å
133N53.9Low53.1Low95 Ų9598.1 Ų98.151%0.50850%0.502SS..Hα-helixtrans-87.1-29.9170.1-67.2-35.9000112.6N130 F131 K136 I137N130-N133 WeakPolarHBondContact O-CA 3.31Å; N130-N133 WeakPolarHBondContact O-CB 3.01Å; N130-N133 PolarHBondContact O-N 3.05Å; F131-N133 PolarHBondContact O-N 3.01Å; N133-K136 WeakPolarHBondContact O-CB 3.44Å; N133-K136 PolarHBondContact O-N 3.31Å; N133-I137 PolarHBondContact O-N 3.33Å
134L47.6Very low52.6Low27 Ų2799.4 Ų99.414%0.14151%0.508CS..Hα-helixtrans-68.2-35.7170.9-89.5116.3000113.3T3 N130 F131 K136 I137 F138T3-L134 HydrophobicContact CG2-CD2 3.49Å; T3-L134 VanDerWaalsContact CG2-CD2 3.49Å; N130-L134 PolarHBondContact O-N 3.34Å; F131-L134 HydrophobicContact CB-CB 4.49Å; F131-L134 HydrophobicContact CD1-CB 3.99Å; F131-L134 HydrophobicContact CD2-CB 3.91Å; F131-L134 HydrophobicContact CD2-CD1 3.84Å; F131-L134 HydrophobicContact CD2-CD2 4.41Å; F131-L134 HydrophobicContact CD2-CG 4.27Å; F131-L134 HydrophobicContact CE1-CB 4.15Å; F131-L134 HydrophobicContact CE2-CB 4.08Å; F131-L134 HydrophobicContact CE2-CD1 4.28Å; F131-L134 HydrophobicContact CE2-CD2 4.03Å; F131-L134 HydrophobicContact CE2-CG 4.36Å; F131-L134 HydrophobicContact CG-CB 3.87Å; F131-L134 HydrophobicContact CG-CD1 4.37Å; F131-L134 HydrophobicContact CZ-CB 4.19Å; F131-L134 HydrophobicContact CZ-CD2 4.44Å; F131-L134 CarbonylContact O-C 3.57Å; F131-L134 PolarHBondContact O-N 3.21Å; L134-K136 PolarHBondContact O-N 2.86Å; L134-I137 CarbonylContact O-C 3.47Å; L134-I137 WeakPolarHBondContact O-CA 3.37Å; L134-I137 WeakPolarHBondContact O-CB 3.45Å; L134-I137 PolarHBondContact O-N 3.19Å; L134-F138 HydrophobicContact CD2-CE2 4Å; L134-F138 WeakPolarHBondContact O-CD2 3.13Å; L134-F138 PolarHBondContact O-N 2.75Å
135A48.6Very low51.9Low52 Ų52101.7 Ų101.743%0.4352%0.523SS..Hα-helixtrans-61.8-31.1174.900000111.3F131 S139F131-A135 WeakPolarHBondContact O-CB 3.35Å; F131-A135 PolarHBondContact O-N 2.81Å; A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 3.04Å
136K50.2Low51.2Low152 Ų152101.7 Ų101.766%0.66153%0.528SS*.Hα-helixtrans-67.4-35.3168.9-79.8-177.9173.21780112.8N133 L134 T140N133-K136 WeakPolarHBondContact O-CB 3.44Å; N133-K136 PolarHBondContact O-N 3.31Å; L134-K136 PolarHBondContact O-N 2.86Å; K136-T140 PolarHBondContact O-OG1 3.29Å
137I50.1Low50.6Low109 Ų109100.3 Ų100.356%0.55953%0.526SS*.Hα-helixtrans-71-33.6176.9-62.8168.2000111.6N133 L134N133-I137 PolarHBondContact O-N 3.33Å; L134-I137 CarbonylContact O-C 3.47Å; L134-I137 WeakPolarHBondContact O-CA 3.37Å; L134-I137 WeakPolarHBondContact O-CB 3.45Å; L134-I137 PolarHBondContact O-N 3.19Å
138F48.2Very low50.2Low127 Ų127106 Ų10656%0.55755%0.552SS**Hα-helixtrans-86-13.9176.8-80.2-75.3000114.6T3 F131 L134T3-F138 HydrophobicContact CG2-CE2 3.48Å; T3-F138 VanDerWaalsContact CG2-CE2 3.48Å; T3-F138 HydrophobicContact CG2-CZ 3.47Å; T3-F138 VanDerWaalsContact CG2-CZ 3.47Å; F131-F138 HydrophobicContact CZ-CE2 4.49Å; L134-F138 HydrophobicContact CD2-CE2 4Å; L134-F138 WeakPolarHBondContact O-CD2 3.13Å; L134-F138 PolarHBondContact O-N 2.75Å
139S43.6Very low49.6Very low104 Ų104108.1 Ų108.173%0.72757%0.569SS**THydrogen-bonded Turntrans-90.85.4179.4179.60000113.5A135A135-S139 WeakPolarHBondContact O-CB 3.45Å; A135-S139 PolarHBondContact O-N 3.04Å
140T37.6Very low49.2Very low178 Ų178106.6 Ų106.6100%1.09256%0.562SS**  trans-108.70172.6-44.60000108.7K136K136-T140 PolarHBondContact O-OG1 3.29Å

Retrieved 140 of 140 residues in 64.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).