G4VSQ5_SCHMA Loading...

Superoxide dismutase

Destroys radicals which are normally produced within the cells and which are toxic to biological systems. Destroys superoxide anion radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession G4VSQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 217 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
1M43.2Very low44.9Very low246 Ų246154.4 Ų154.4100%1.21283%0.828SS**  0144.60-83.4175.9169.900108.5
2A44.2Very low44.7Very low105 Ų105153.8 Ų153.887%0.86883%0.825SS**  trans-49.6132.2-152.200000117.8S4A2-S4 PolarHBondContact O-N 3.39Å
3T42.4Very low45.1Very low138 Ų138152.8 Ų152.885%0.84780%0.802SS**  trans-72.5115.3166.116.90000110.2R5T3-R5 PolarHBondContact O-N 2.94Å
4S48.8Very low44.9Very low110 Ų110152.7 Ų152.777%0.76980%0.803SS**  trans-67.6106.9174.9-178.60000110.5A2 I6A2-S4 PolarHBondContact O-N 3.39Å; S4-I6 PolarHBondContact O-N 3.19Å
5R45.7Very low45.5Very low226 Ų226150.8 Ų150.885%0.85378%0.782SS**  trans-84.4101.7167-84.7-175.1173.7-157.2-0.9108.5T3 L7T3-R5 PolarHBondContact O-N 2.94Å; R5-L7 PolarHBondContact O-N 3.49Å; R5-L7 VanDerWaalsContact O-N 3.1Å
6I46.9Very low46Very low140 Ų140144.6 Ų144.672%0.71877%0.766SS**  trans-71.1100.8167.2-59.7174.3000107.2S4 R8S4-I6 PolarHBondContact O-N 3.19Å; I6-R8 HydrophobicContact CG2-CG 4.41Å; I6-R8 PolarHBondContact O-N 3.11Å
7L45Very low46.4Very low160 Ų160145.6 Ų145.684%0.83877%0.771SS**  trans-65.2103.4164-97.994000108R5 S9R5-L7 PolarHBondContact O-N 3.49Å; R5-L7 VanDerWaalsContact O-N 3.1Å; L7-S9 PolarHBondContact O-N 2.9Å
8R42.6Very low47.1Very low235 Ų235148.3 Ų148.389%0.88777%0.769SS**  trans-75.199162.3-70.7-174.6177.7-148.1-0.3107.3I6 S10I6-R8 HydrophobicContact CG2-CG 4.41Å; I6-R8 PolarHBondContact O-N 3.11Å; R8-S10 PolarHBondContact O-N 3.17Å
9S44.6Very low48.8Very low94 Ų94150.2 Ų150.266%0.65777%0.771SS**  trans-71.1112.8163.758.70000108L7 I11L7-S9 PolarHBondContact O-N 2.9Å; S9-I11 PolarHBondContact O-N 3.47Å
10S44.5Very low51Low113 Ų113149.2 Ų149.279%0.7976%0.761SS**  trans-71.883.5164.851.90000107.8R8 N12R8-S10 PolarHBondContact O-N 3.17Å; S10-N12 PolarHBondContact O-N 3.22Å
11I46.5Very low53.2Low131 Ų131144.8 Ų144.867%0.67274%0.737SS**  trans-70.7102.7164.9-61.7176.4000105.8S9 R13S9-I11 PolarHBondContact O-N 3.47Å; I11-R13 VanDerWaalsContact C-N 3.25Å; I11-R13 HydrophobicContact CG2-CG 4.33Å; I11-R13 PolarHBondContact O-N 2.85Å
12N41.6Very low55.8Low147 Ų147138.2 Ų138.279%0.78671%0.711SS**  trans-55.694.5161.5-95.9-20.3000107.7S10 N14S10-N12 PolarHBondContact O-N 3.22Å; N12-N14 PolarHBondContact O-N 2.95Å
13R49.7Very low58.3Low142 Ų142136 Ų13654%0.53668%0.684SS.*  trans-74.384168.8-84.3-175172.8166.7-1.5107.5I11 Y15 I68I11-R13 VanDerWaalsContact C-N 3.25Å; I11-R13 HydrophobicContact CG2-CG 4.33Å; I11-R13 PolarHBondContact O-N 2.85Å; R13-Y15 HydrophobicContact CB-CD2 4.04Å; R13-Y15 HydrophobicContact CB-CE2 3.78Å; R13-Y15 HydrophobicContact CG-CE2 4.46Å; R13-Y15 PolarHBondContact NH1-OH 3.07Å; R13-Y15 PolarHBondContact O-N 3.31Å; R13-I68 VanDerWaalsContact NH1-CG2 3.32Å; R13-I68 PolarHBondContact NH1-O 2.89Å; R13-I68 VanDerWaalsContact NH1-O 3.16Å
14N42.7Very low61Low151 Ų151130.9 Ų130.981%0.80765%0.653SS**  trans-62.992.9152.7-78.2-22000106.1N12 G16N12-N14 PolarHBondContact O-N 2.95Å; N14-G16 PolarHBondContact O-N 2.98Å
15Y54Low63.3Low124 Ų124130.9 Ų130.949%0.48665%0.651SS.*  trans-64.881.8157.5-68.4-89.1000105.3R13 L17R13-Y15 HydrophobicContact CB-CD2 4.04Å; R13-Y15 HydrophobicContact CB-CE2 3.78Å; R13-Y15 HydrophobicContact CG-CE2 4.46Å; R13-Y15 PolarHBondContact NH1-OH 3.07Å; R13-Y15 PolarHBondContact O-N 3.31Å; Y15-L17 PolarHBondContact O-N 2.89Å
16G53Low65.8Low52 Ų52121.7 Ų121.754%0.53662%0.618SS.*  trans-50.5137.9174.800000108.1N14 R18N14-G16 PolarHBondContact O-N 2.98Å; G16-R18 VanDerWaalsContact C-N 3.35Å; G16-R18 PolarHBondContact O-N 3.14Å
17L53.3Low68.2Low162 Ų162118.1 Ų118.185%0.84860%0.604SS**  trans-39.698.1175.1-76.3145.6000109.6Y15 F19Y15-L17 PolarHBondContact O-N 2.89Å; L17-F19 PolarHBondContact O-N 3.39Å
18R59.5Low70.7Confident193 Ų193112.1 Ų112.173%0.72857%0.571SS**  trans-78.1112.6169.4-81.1-167.6177.5-162.40.4105.7G16 K20G16-R18 VanDerWaalsContact C-N 3.35Å; G16-R18 PolarHBondContact O-N 3.14Å; R18-K20 PolarHBondContact O-N 3.34Å
19F78.4Confident73.3Confident185 Ų185107.6 Ų107.681%0.81156%0.56SS**PPolyproline II helixtrans-63.7128.1167.7-65.4-79.1000107.9L17L17-F19 PolarHBondContact O-N 3.39Å
20K92.8Very high75.8Confident129 Ų129105.4 Ų105.456%0.56154%0.543SS*.PPolyproline II helixtrans-58.8144.6174.1-69.3-170.6175-161.60109.4R18 E62R18-K20 PolarHBondContact O-N 3.34Å; K20-E62 WeakPolarHBondContact CE-OE1 3.18Å; K20-E62 IonicContact NZ-OE1 2.71Å; K20-E62 PolarHBondContact NZ-OE1 3.03Å
21H97.4Very high78.3Confident58 Ų58104.5 Ų104.527%0.26953%0.529SS..PPolyproline II helixtrans-60.6141.1170.4-59.9-80.1000109.4V54 L57 N58 E61 H90H21-V54 HydrophobicContact CB-CG1 3.95Å; H21-V54 VanDerWaalsContact O-CG1 3.29Å; H21-V54 WeakPolarHBondContact O-CG1 3.12Å; H21-L57 HydrophobicContact CB-CD2 4.41Å; H21-L57 VanDerWaalsContact CD2-CD2 3.46Å; H21-L57 WeakPolarHBondContact CD2-CD2 3.17Å; H21-N58 PolarHBondContact CD2-OD1 3.4Å; H21-N58 PolarHBondContact N-OD1 2.91Å; H21-N58 PolarHBondContact O-ND2 2.81Å; H21-E61 IonicContact CD2-OE2 2.66Å; H21-E61 PolarHBondContact CD2-OE2 3.01Å; H21-E61 VanDerWaalsContact NE2-CD 3.28Å; H21-E61 IonicContact NE2-OE1 3.96Å; H21-E61 PolarHBondContact NE2-OE1 3.11Å; H21-E61 VanDerWaalsContact NE2-OE1 3.11Å; H21-E61 IonicContact NE2-OE2 3.66Å; H21-E61 PolarHBondContact NE2-OE2 3.23Å; H21-H90 AromaticContact ND1-CD2 3.77Å; H21-H90 AromaticContact ND1-NE2 3.84Å
22T97.7Very high80.8Confident108 Ų10899.7 Ų99.766%0.66351%0.509SS*.  trans-122145.8177.255.50000109.6P24T22-P24 WeakPolarHBondContact O-CD 3.45Å
23L98.3Very high83.5Confident57 Ų5792.8 Ų92.830%0.29847%0.472SS..  trans-63.7114.1173.1179.565.7000109H50 A51 V54L23-H50 HydrophobicContact CD1-CB 3.83Å; L23-H50 VanDerWaalsContact CD1-CG 3.43Å; L23-H50 VanDerWaalsContact CD1-ND1 3.27Å; L23-H50 WeakPolarHBondContact CD1-ND1 3.49Å; L23-A51 HydrophobicContact CD2-CB 3.86Å; L23-V54 HydrophobicContact CB-CG2 4.46Å; L23-V54 HydrophobicContact CD1-CG2 4.36Å
24P97.7Very high85.8Confident32 Ų3291.1 Ų91.121%0.20847%0.471CS..PPolyproline II helixtrans-64.6142.6176.426.7-35.1000109.6T22 H46T22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-H46 PolarHBondContact O-NE2 3.26Å
25P97.8Very high88.4Confident110 Ų11089.2 Ų89.271%0.71447%0.466SS*.PPolyproline II helixtrans-62.1151174.328.4-34.7000110.5
26L98Very high90.5Very high32 Ų3284 Ų8417%0.16845%0.447CS..PPolyproline II helixtrans-62.4141.3168.7-76.4173.1000109.6Y28 H46 W97L26-Y28 WeakPolarHBondContact CB-O 3.35Å; L26-Y28 HydrophobicContact CD2-CE2 4.44Å; L26-Y28 PolarHBondContact O-N 2.87Å; L26-H46 HydrophobicContact CD1-CB 3.99Å; L26-H46 HydrophobicContact CD2-CB 4.01Å; L26-H46 HydrophobicContact CG-CB 4.06Å; L26-W97 HydrophobicContact CD2-CB 4.14Å; L26-W97 HydrophobicContact CD2-CD2 3.73Å; L26-W97 HydrophobicContact CD2-CE3 3.93Å; L26-W97 HydrophobicContact CD2-CG 3.8Å
27P97.5Very high92.7Very high65 Ų6581.6 Ų81.642%0.42242%0.422SS..SBendtrans-70.3-7.5176-1933000114.4W97 H98P27-W97 HydrophobicContact CG-CB 4.27Å; P27-H98 WeakPolarHBondContact CG-ND1 3.47Å
28Y97.8Very high94.8Very high35 Ų3574.9 Ų74.914%0.13739%0.389CS..SBendtrans-151.7166.3-173.842.8-104.9000110.6L26 A32 L33 W97 L100L26-Y28 WeakPolarHBondContact CB-O 3.35Å; L26-Y28 HydrophobicContact CD2-CE2 4.44Å; L26-Y28 PolarHBondContact O-N 2.87Å; Y28-A32 HydrophobicContact CD2-CB 4.12Å; Y28-A32 HydrophobicContact CG-CB 4.2Å; Y28-L33 HydrophobicContact CD2-CG 4.36Å; Y28-L33 HydrophobicContact CE2-CD1 3.64Å; Y28-L33 HydrophobicContact CE2-CD2 4.47Å; Y28-L33 HydrophobicContact CE2-CG 3.9Å; Y28-W97 VanDerWaalsContact CE1-O 3.22Å; Y28-W97 WeakPolarHBondContact CE1-O 3.44Å; Y28-W97 PolarHBondContact OH-O 2.87Å; Y28-L100 HydrophobicContact CE1-CB 4.39Å; Y28-L100 WeakPolarHBondContact CE1-O 3.21Å
29E97.5Very high96.7Very high140 Ų14066.3 Ų66.365%0.65436%0.361SS*.  trans-63148174-66.8-58139.800111.7N31 A32E29-N31 PolarHBondContact O-N 3.33Å; E29-N31 VanDerWaalsContact O-N 3.07Å; E29-A32 WeakPolarHBondContact O-CB 3.31Å; E29-A32 PolarHBondContact O-N 3.21Å
30P95.7Very high97.6Very high48 Ų4863.1 Ų63.131%0.31235%0.348SS..THydrogen-bonded Turntrans-54.4-33.7-173.9-2935.8000115.2G39 M42P30-G39 WeakPolarHBondContact O-CA 3.37Å; P30-M42 HydrophobicContact CB-CB 4.27Å; P30-M42 VanDerWaalsContact O-CB 3.23Å; P30-M42 WeakPolarHBondContact O-CB 3.23Å; P30-M42 WeakPolarHBondContact O-CG 3.41Å
31N97.5Very high97.9Very high94 Ų9457 Ų5750%0.50332%0.322SS..THydrogen-bonded Turntrans-92.34.3-179.566.9-21000114.1E29 L33 E34E29-N31 PolarHBondContact O-N 3.33Å; E29-N31 VanDerWaalsContact O-N 3.07Å; N31-L33 PolarHBondContact O-N 2.73Å; N31-L33 VanDerWaalsContact O-N 3.11Å; N31-E34 HydrophobicContact CB-CG 4.47Å; N31-E34 PolarHBondContact O-N 3.03Å
32A98.2Very high97.9Very high30 Ų3054.3 Ų54.325%0.24831%0.309CS..THydrogen-bonded Turntrans-63.7-19.9-174.900000113.8Y28 E29 S102Y28-A32 HydrophobicContact CD2-CB 4.12Å; Y28-A32 HydrophobicContact CG-CB 4.2Å; E29-A32 WeakPolarHBondContact O-CB 3.31Å; E29-A32 PolarHBondContact O-N 3.21Å; A32-S102 WeakPolarHBondContact O-CB 3.33Å
33L98.5Very high97.9Very high1 Ų154.8 Ų54.81%0.00530%0.304CS..THydrogen-bonded Turntrans-997.7-177.6-57.2179.6000113.3Y28 N31 V36 I37 L100 S101 I202Y28-L33 HydrophobicContact CD2-CG 4.36Å; Y28-L33 HydrophobicContact CE2-CD1 3.64Å; Y28-L33 HydrophobicContact CE2-CD2 4.47Å; Y28-L33 HydrophobicContact CE2-CG 3.9Å; N31-L33 PolarHBondContact O-N 2.73Å; N31-L33 VanDerWaalsContact O-N 3.11Å; L33-V36 WeakPolarHBondContact O-CA 3.32Å; L33-V36 WeakPolarHBondContact O-CB 3.45Å; L33-V36 PolarHBondContact O-N 3.07Å; L33-I37 CarbonylContact C-O 3.17Å; L33-I37 HydrophobicContact CB-CB 4.26Å; L33-I37 HydrophobicContact CD1-CD1 4.38Å; L33-I37 PolarHBondContact O-N 2.81Å; L33-L100 HydrophobicContact CD1-CB 3.8Å; L33-L100 HydrophobicContact CD1-CD1 3.65Å; L33-L100 HydrophobicContact CD1-CG 4.37Å; L33-L100 HydrophobicContact CD2-CB 4.24Å; L33-S101 VanDerWaalsContact CD2-C 3.45Å; L33-I202 HydrophobicContact CB-CD1 4.13Å; L33-I202 HydrophobicContact CD1-CD1 4.08Å; L33-I202 HydrophobicContact CD2-CB 4.26Å; L33-I202 HydrophobicContact CD2-CD1 4.31Å; L33-I202 HydrophobicContact CD2-CG2 4.35Å; L33-I202 HydrophobicContact CG-CD1 4.41Å
34E98.3Very high98Very high108 Ų10855.2 Ų55.251%0.50531%0.306SS..THydrogen-bonded Turntrans-66.6144.2173.2-74.8-178.9-175.800111.4N31 I37 G39N31-E34 HydrophobicContact CB-CG 4.47Å; N31-E34 PolarHBondContact O-N 3.03Å; E34-I37 PolarHBondContact N-O 3.25Å; E34-G39 PolarHBondContact OE1-N 3.09Å
35P97.2Very high98Very high110 Ų11053.8 Ų53.871%0.71430%0.297SS*.THydrogen-bonded Turncis-887.54.537-37.1000114Q187P35-Q187 PolarHBondContact O-NE2 3.28Å
36V98.3Very high98Very high14 Ų1449.2 Ų49.29%0.08527%0.266CS..THydrogen-bonded Turntrans-75.9-43.4-174.3179.30000112.2L33 Q187 Y188 A198 D201 I202L33-V36 WeakPolarHBondContact O-CA 3.32Å; L33-V36 WeakPolarHBondContact O-CB 3.45Å; L33-V36 PolarHBondContact O-N 3.07Å; V36-Q187 PolarHBondContact O-NE2 2.98Å; V36-Y188 WeakPolarHBondContact O-CE2 3.44Å; V36-Y188 PolarHBondContact O-OH 2.89Å; V36-A198 HydrophobicContact CG1-CB 3.95Å; V36-A198 WeakPolarHBondContact CG1-O 3.49Å; V36-D201 HydrophobicContact CG2-CB 4.31Å; V36-I202 HydrophobicContact CB-CD1 3.93Å; V36-I202 HydrophobicContact CB-CG1 4.25Å; V36-I202 HydrophobicContact CB-CG2 4Å; V36-I202 HydrophobicContact CG1-CD1 3.54Å; V36-I202 HydrophobicContact CG1-CG1 3.81Å; V36-I202 HydrophobicContact CG1-CG2 4.46Å; V36-I202 HydrophobicContact CG2-CG2 3.9Å
37I98.5Very high98Very high2 Ų250.4 Ų50.41%0.0128%0.277CS..SBendtrans-129.8120.5170.5-54.7177.1000108.6L33 E34 I41 M42 F96 L100 Y195 I202L33-I37 CarbonylContact C-O 3.17Å; L33-I37 HydrophobicContact CB-CB 4.26Å; L33-I37 HydrophobicContact CD1-CD1 4.38Å; L33-I37 PolarHBondContact O-N 2.81Å; E34-I37 PolarHBondContact N-O 3.25Å; I37-I41 HydrophobicContact CG2-CB 3.73Å; I37-I41 HydrophobicContact CG2-CD1 4.47Å; I37-I41 HydrophobicContact CG2-CG2 3.48Å; I37-I41 VanDerWaalsContact CG2-CG2 3.48Å; I37-M42 HydrophobicContact CB-CE 4.4Å; I37-M42 HydrophobicContact CD1-CE 4.03Å; I37-M42 HydrophobicContact CG2-CE 3.53Å; I37-M42 HydrophobicContact CG2-CG 4.26Å; I37-F96 HydrophobicContact CD1-CZ 4.49Å; I37-L100 HydrophobicContact CD1-CD1 3.9Å; I37-Y195 HydrophobicContact CD1-CE2 4.28Å; I37-Y195 HydrophobicContact CG1-CE2 4.33Å; I37-I202 HydrophobicContact CD1-CD1 3.87Å; I37-I202 HydrophobicContact CG1-CD1 3.99Å
38S98.4Very high98.1Very high22 Ų2253.5 Ų53.515%0.15428%0.284CS..  trans-62.3150.3179.273.40000112.6E40 I41 M42S38-E40 PolarHBondContact O-N 3.24Å; S38-I41 PolarHBondContact O-N 3.15Å; S38-I41 VanDerWaalsContact O-N 3.11Å; S38-I41 WeakPolarHBondContact OG-CG1 3.43Å; S38-I41 PolarHBondContact OG-N 2.99Å; S38-M42 PolarHBondContact O-N 3.19Å
39G98.2Very high98.1Very high13 Ų1355 Ų5513%0.13429%0.292CS..Hα-helixtrans-56.9-33.5173.900000113.3P30 E34 M42 Q43P30-G39 WeakPolarHBondContact O-CA 3.37Å; E34-G39 PolarHBondContact OE1-N 3.09Å; G39-M42 PolarHBondContact O-N 3.19Å; G39-Q43 WeakPolarHBondContact O-CB 3.23Å; G39-Q43 PolarHBondContact O-N 3.33Å
40E98.5Very high98.2Very high118 Ų11848.3 Ų48.355%0.55126%0.26SS*.Hα-helixtrans-63.9-46.6175.2-175.2-178.9-158.900111.9S38 Q43 L44 L186S38-E40 PolarHBondContact O-N 3.24Å; E40-Q43 PolarHBondContact O-N 3.46Å; E40-L44 HydrophobicContact CG-CD1 4.11Å; E40-L44 WeakPolarHBondContact O-CG 3.41Å; E40-L44 PolarHBondContact O-N 3.04Å; E40-L186 HydrophobicContact CG-CD1 4.07Å
41I98.6Very high98.3Very high1 Ų146.9 Ų46.91%0.00525%0.253CS..Hα-helixtrans-59.5-50.1174.7-71.9170.3000109.1I37 S38 Q43 L44 H45 A183 L186 Q187I37-I41 HydrophobicContact CG2-CB 3.73Å; I37-I41 HydrophobicContact CG2-CD1 4.47Å; I37-I41 HydrophobicContact CG2-CG2 3.48Å; I37-I41 VanDerWaalsContact CG2-CG2 3.48Å; S38-I41 PolarHBondContact O-N 3.15Å; S38-I41 VanDerWaalsContact O-N 3.11Å; S38-I41 WeakPolarHBondContact OG-CG1 3.43Å; S38-I41 PolarHBondContact OG-N 2.99Å; I41-Q43 VanDerWaalsContact C-N 3.32Å; I41-Q43 PolarHBondContact O-N 3.46Å; I41-L44 PolarHBondContact O-N 3.44Å; I41-H45 HydrophobicContact CG2-CB 4.48Å; I41-H45 WeakPolarHBondContact O-CB 3.46Å; I41-H45 PolarHBondContact O-N 2.97Å; I41-A183 WeakPolarHBondContact CG2-O 3.23Å; I41-L186 HydrophobicContact CD1-CB 4.15Å; I41-L186 HydrophobicContact CG1-CB 3.78Å; I41-L186 HydrophobicContact CG1-CD1 4.11Å; I41-L186 HydrophobicContact CG1-CG 4.39Å; I41-Q187 HydrophobicContact CD1-CB 3.54Å
42M98.4Very high98.4Very high0 Ų045.6 Ų45.60%025%0.249CC..Hα-helixtrans-58.5-43.4-179.4-95.5-46.699.900113.1P30 I37 S38 G39 H45 H46 W97P30-M42 HydrophobicContact CB-CB 4.27Å; P30-M42 VanDerWaalsContact O-CB 3.23Å; P30-M42 WeakPolarHBondContact O-CB 3.23Å; P30-M42 WeakPolarHBondContact O-CG 3.41Å; I37-M42 HydrophobicContact CB-CE 4.4Å; I37-M42 HydrophobicContact CD1-CE 4.03Å; I37-M42 HydrophobicContact CG2-CE 3.53Å; I37-M42 HydrophobicContact CG2-CG 4.26Å; S38-M42 PolarHBondContact O-N 3.19Å; G39-M42 PolarHBondContact O-N 3.19Å; M42-H45 HydrophobicContact CE-CB 4.44Å; M42-H45 PolarHBondContact O-N 2.81Å; M42-H46 WeakPolarHBondContact O-CB 3.41Å; M42-H46 PolarHBondContact O-N 2.93Å; M42-W97 HydrophobicContact CE-CZ3 3.74Å; M42-W97 HydrophobicContact SD-CE3 3.98Å; M42-W97 HydrophobicContact SD-CH2 4.46Å; M42-W97 HydrophobicContact SD-CZ3 3.57Å; M42-W97 VanDerWaalsContact SD-CZ3 3.57Å
43Q97.9Very high98.4Very high119 Ų11944.8 Ų44.856%0.55624%0.239SC*.Hα-helixtrans-62.3-47.4179.4-172.4176.928.600111.8G39 E40 I41 S47G39-Q43 WeakPolarHBondContact O-CB 3.23Å; G39-Q43 PolarHBondContact O-N 3.33Å; E40-Q43 PolarHBondContact O-N 3.46Å; I41-Q43 VanDerWaalsContact C-N 3.32Å; I41-Q43 PolarHBondContact O-N 3.46Å; Q43-S47 WeakPolarHBondContact O-CA 3.43Å; Q43-S47 WeakPolarHBondContact O-CB 3.34Å; Q43-S47 PolarHBondContact O-N 3.37Å
44L98.6Very high98.4Very high66 Ų6644.9 Ų44.935%0.34624%0.24SC..Hα-helixtrans-68.7-43178.9-67.9170.1000111.3E40 I41 K48 H49 L186E40-L44 HydrophobicContact CG-CD1 4.11Å; E40-L44 WeakPolarHBondContact O-CG 3.41Å; E40-L44 PolarHBondContact O-N 3.04Å; I41-L44 PolarHBondContact O-N 3.44Å; L44-K48 HydrophobicContact CD2-CG 4Å; L44-K48 WeakPolarHBondContact O-CA 3.39Å; L44-K48 WeakPolarHBondContact O-CB 3.35Å; L44-K48 PolarHBondContact O-N 2.87Å; L44-H49 PolarHBondContact O-CD2 3.15Å; L44-H49 PolarHBondContact O-N 2.75Å; L44-L186 HydrophobicContact CD1-CD1 3.53Å
45H98.7Very high98.4Very high1 Ų144.4 Ų44.41%0.00524%0.241CC..Iπ-helixtrans-64.8-45.9-176.7-162.5177.8000111.7I41 M42 H49 H50 H93 F96 W97 D178 H182I41-H45 HydrophobicContact CG2-CB 4.48Å; I41-H45 WeakPolarHBondContact O-CB 3.46Å; I41-H45 PolarHBondContact O-N 2.97Å; M42-H45 HydrophobicContact CE-CB 4.44Å; M42-H45 PolarHBondContact O-N 2.81Å; H45-H49 WeakPolarHBondContact O-CB 3.42Å; H45-H49 PolarHBondContact O-N 3.04Å; H45-H50 PolarHBondContact O-N 2.82Å; H45-H93 AromaticContact CD2-CD2 3.66Å; H45-H93 AromaticContact CD2-NE2 3.52Å; H45-H93 AromaticContact NE2-CD2 3.25Å; H45-H93 PolarHBondContact NE2-CD2 3.16Å; H45-H93 AromaticContact NE2-NE2 3Å; H45-H93 PolarHBondContact NE2-NE2 3.46Å; H45-F96 AromaticContact CE1-CE1 3.68Å; H45-W97 HydrophobicContact CB-CH2 4.07Å; H45-W97 AromaticContact CD2-CH2 3.67Å; H45-W97 AromaticContact CE1-CH2 3.91Å; H45-W97 AromaticContact CG-CH2 3.55Å; H45-W97 AromaticContact ND1-CH2 3.72Å; H45-W97 AromaticContact NE2-CH2 3.88Å; H45-D178 IonicContact CE1-OD2 2.98Å; H45-D178 PolarHBondContact CE1-OD2 2.92Å; H45-D178 VanDerWaalsContact CE1-OD2 3.22Å; H45-D178 IonicContact NE2-OD2 3.75Å; H45-D178 PolarHBondContact NE2-OD2 2.8Å; H45-H182 AromaticContact CD2-CD2 3.42Å; H45-H182 PolarHBondContact CD2-CD2 2.91Å; H45-H182 VanDerWaalsContact CD2-CD2 3.42Å; H45-H182 AromaticContact CD2-NE2 3.49Å; H45-H182 PolarHBondContact CD2-NE2 2.91Å; H45-H182 AromaticContact CE1-CD2 3.86Å; H45-H182 AromaticContact CE1-NE2 3.94Å; H45-H182 AromaticContact CG-CD2 4Å; H45-H182 AromaticContact NE2-CD2 3.34Å; H45-H182 PolarHBondContact NE2-CD2 3.3Å; H45-H182 VanDerWaalsContact NE2-CD2 3.34Å; H45-H182 AromaticContact NE2-NE2 3.13Å; H45-H182 PolarHBondContact NE2-NE2 3.12Å; H45-H182 VanDerWaalsContact NE2-NE2 3.13Å
46H98.7Very high98.5Very high14 Ų1442.2 Ų42.27%0.06522%0.223CC..Iπ-helixtrans-79.3-57.8177.3177.2-91.7000112.7P24 L26 M42 K48 H50 A51 W97P24-H46 PolarHBondContact O-NE2 3.26Å; L26-H46 HydrophobicContact CD1-CB 3.99Å; L26-H46 HydrophobicContact CD2-CB 4.01Å; L26-H46 HydrophobicContact CG-CB 4.06Å; M42-H46 WeakPolarHBondContact O-CB 3.41Å; M42-H46 PolarHBondContact O-N 2.93Å; H46-K48 VanDerWaalsContact C-N 3.34Å; H46-K48 PolarHBondContact O-N 3.35Å; H46-H50 WeakPolarHBondContact O-CB 3.47Å; H46-A51 PolarHBondContact O-N 3.06Å; H46-W97 HydrophobicContact CB-CH2 4.41Å; H46-W97 HydrophobicContact CB-CZ2 4.12Å; H46-W97 AromaticContact CD2-CE2 3.91Å; H46-W97 AromaticContact CD2-NE1 3.7Å
47S97.9Very high98.5Very high58 Ų5842 Ų4241%0.40622%0.221SC..Iπ-helixtrans-80.5-12.9-168.9-58.50000113.9Q43 A51Q43-S47 WeakPolarHBondContact O-CA 3.43Å; Q43-S47 WeakPolarHBondContact O-CB 3.34Å; Q43-S47 PolarHBondContact O-N 3.37Å; S47-A51 VanDerWaalsContact O-CB 3.28Å; S47-A51 WeakPolarHBondContact O-CB 3.49Å
48K98.5Very high98.5Very high130 Ų13042.6 Ų42.657%0.56523%0.225SC*.Iπ-helixtrans-112.6-60.5173.6-52.3-63.6-179.5-176.80111.9L44 H46 T52L44-K48 HydrophobicContact CD2-CG 4Å; L44-K48 WeakPolarHBondContact O-CA 3.39Å; L44-K48 WeakPolarHBondContact O-CB 3.35Å; L44-K48 PolarHBondContact O-N 2.87Å; H46-K48 VanDerWaalsContact C-N 3.34Å; H46-K48 PolarHBondContact O-N 3.35Å; K48-T52 VanDerWaalsContact O-CB 3.27Å; K48-T52 WeakPolarHBondContact O-CB 3.4Å; K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 PolarHBondContact O-OG1 3.04Å
49H98.7Very high98.5Very high65 Ų6545.6 Ų45.630%0.30124%0.238SC..Iπ-helixtrans-68-56.7-174.1-66.5-83.3000112L44 H45 A51 T52 Y53 H182L44-H49 PolarHBondContact O-CD2 3.15Å; L44-H49 PolarHBondContact O-N 2.75Å; H45-H49 WeakPolarHBondContact O-CB 3.42Å; H45-H49 PolarHBondContact O-N 3.04Å; H49-A51 PolarHBondContact O-N 3.2Å; H49-T52 WeakPolarHBondContact O-CB 3.23Å; H49-T52 PolarHBondContact O-N 3.07Å; H49-T52 VanDerWaalsContact O-N 3.14Å; H49-Y53 HydrophobicContact CB-CE2 4.23Å; H49-Y53 WeakPolarHBondContact O-CD2 3.43Å; H49-Y53 PolarHBondContact O-N 3.31Å; H49-Y53 VanDerWaalsContact O-N 3.07Å; H49-H182 AromaticContact CD2-CG 3.97Å; H49-H182 AromaticContact CE1-CG 3.85Å; H49-H182 AromaticContact CE1-ND1 3.71Å; H49-H182 AromaticContact CG-CG 3.99Å; H49-H182 AromaticContact CG-ND1 3.89Å; H49-H182 AromaticContact ND1-CG 3.92Å; H49-H182 AromaticContact ND1-ND1 3.5Å; H49-H182 PolarHBondContact ND1-ND1 2.79Å; H49-H182 WeakPolarHBondContact NE2-CB 3.43Å; H49-H182 AromaticContact NE2-CG 3.92Å
50H98.8Very high98.5Very high0 Ų045.1 Ų45.10%023%0.233CC..Iπ-helixtrans-62.9-41.7178.6-172.8-164.6000112.5L23 H45 H46 T52 Y53 V54 H90 H93 S94 W97L23-H50 HydrophobicContact CD1-CB 3.83Å; L23-H50 VanDerWaalsContact CD1-CG 3.43Å; L23-H50 VanDerWaalsContact CD1-ND1 3.27Å; L23-H50 WeakPolarHBondContact CD1-ND1 3.49Å; H45-H50 PolarHBondContact O-N 2.82Å; H46-H50 WeakPolarHBondContact O-CB 3.47Å; H50-T52 VanDerWaalsContact C-N 3.27Å; H50-T52 PolarHBondContact O-N 3.24Å; H50-Y53 PolarHBondContact O-N 2.93Å; H50-Y53 VanDerWaalsContact O-N 3.15Å; H50-V54 WeakPolarHBondContact O-CG2 3.43Å; H50-V54 PolarHBondContact O-N 3.16Å; H50-H90 AromaticContact CD2-ND1 3.92Å; H50-H90 AromaticContact CE1-ND1 3.89Å; H50-H90 AromaticContact NE2-CE1 3.87Å; H50-H90 AromaticContact NE2-CG 3.96Å; H50-H90 AromaticContact NE2-ND1 2.96Å; H50-H90 PolarHBondContact NE2-ND1 2.83Å; H50-H90 PolarHBondContact NE2-O 3.33Å; H50-H93 HydrophobicContact CB-CB 4.14Å; H50-S94 PolarHBondContact CE1-OG 3.3Å; H50-W97 HydrophobicContact CB-CZ2 4.1Å; H50-W97 AromaticContact CE1-NE1 3.51Å; H50-W97 AromaticContact CG-NE1 3.98Å; H50-W97 AromaticContact ND1-CD1 3.95Å; H50-W97 AromaticContact ND1-CE2 3.86Å; H50-W97 AromaticContact ND1-NE1 2.97Å; H50-W97 PolarHBondContact ND1-NE1 3.26Å
51A98.6Very high98.5Very high18 Ų1841.8 Ų41.815%0.14922%0.217CC..Hα-helixtrans-54.9-42.1173.500000112.7L23 H46 S47 H49 V54 N55L23-A51 HydrophobicContact CD2-CB 3.86Å; H46-A51 PolarHBondContact O-N 3.06Å; S47-A51 VanDerWaalsContact O-CB 3.28Å; S47-A51 WeakPolarHBondContact O-CB 3.49Å; H49-A51 PolarHBondContact O-N 3.2Å; A51-V54 PolarHBondContact O-N 3.25Å; A51-N55 VanDerWaalsContact O-CG 3.28Å; A51-N55 PolarHBondContact O-N 3.18Å; A51-N55 PolarHBondContact O-ND2 2.88Å
52T98.8Very high98.5Very high68 Ų6846.3 Ų46.342%0.41724%0.238SC..Hα-helixtrans-66.3-41.7177.8-61.20000111.6K48 H49 H50 V54 N55 N56K48-T52 VanDerWaalsContact O-CB 3.27Å; K48-T52 WeakPolarHBondContact O-CB 3.4Å; K48-T52 PolarHBondContact O-N 3.21Å; K48-T52 PolarHBondContact O-OG1 3.04Å; H49-T52 WeakPolarHBondContact O-CB 3.23Å; H49-T52 PolarHBondContact O-N 3.07Å; H49-T52 VanDerWaalsContact O-N 3.14Å; H50-T52 VanDerWaalsContact C-N 3.27Å; H50-T52 PolarHBondContact O-N 3.24Å; T52-V54 PolarHBondContact O-N 3.15Å; T52-N55 PolarHBondContact O-N 2.89Å; T52-N56 WeakPolarHBondContact CG2-ND2 3.41Å; T52-N56 WeakPolarHBondContact O-CB 3.22Å; T52-N56 PolarHBondContact O-N 3.26Å; T52-N56 PolarHBondContact O-ND2 3.01Å
53Y98.8Very high98.5Very high13 Ų1349.8 Ų49.85%0.05126%0.255CS..Hα-helixtrans-60.1-45.1174.5-59.3-44.6000111.6H49 H50 N55 N56 L57 F85 N86 H93 Q162H49-Y53 HydrophobicContact CB-CE2 4.23Å; H49-Y53 WeakPolarHBondContact O-CD2 3.43Å; H49-Y53 PolarHBondContact O-N 3.31Å; H49-Y53 VanDerWaalsContact O-N 3.07Å; H50-Y53 PolarHBondContact O-N 2.93Å; H50-Y53 VanDerWaalsContact O-N 3.15Å; Y53-N55 PolarHBondContact O-N 3.16Å; Y53-N56 PolarHBondContact O-N 3.36Å; Y53-L57 WeakPolarHBondContact O-CB 3.47Å; Y53-L57 PolarHBondContact O-N 3.46Å; Y53-F85 HydrophobicContact CD1-CD1 4.49Å; Y53-F85 HydrophobicContact CD1-CE1 4.13Å; Y53-F85 HydrophobicContact CE1-CD1 4.3Å; Y53-F85 AromaticContact CE1-CE1 3.56Å; Y53-F85 HydrophobicContact CE1-CE1 3.56Å; Y53-F85 AromaticContact CE1-CZ 3.95Å; Y53-F85 HydrophobicContact CE1-CZ 3.95Å; Y53-N86 WeakPolarHBondContact O-CB 3.28Å; Y53-H93 AromaticContact CD2-CE1 3.77Å; Y53-H93 AromaticContact CD2-ND1 3.91Å; Y53-H93 AromaticContact CE2-CE1 3.33Å; Y53-H93 WeakPolarHBondContact CE2-CE1 3.19Å; Y53-H93 AromaticContact CE2-ND1 3.95Å; Y53-H93 AromaticContact CE2-NE2 3.9Å; Y53-Q162 HydrophobicContact CE1-CG 4.14Å; Y53-Q162 HydrophobicContact CE2-CG 4.48Å; Y53-Q162 PolarHBondContact OH-NE2 3.19Å
54V98.7Very high98.5Very high3 Ų347.4 Ų47.42%0.01824%0.241CC..Hα-helixtrans-60.4-48.1176.7176.20000111.5H21 L23 H50 A51 T52 N56 L57 N58 H90H21-V54 HydrophobicContact CB-CG1 3.95Å; H21-V54 VanDerWaalsContact O-CG1 3.29Å; H21-V54 WeakPolarHBondContact O-CG1 3.12Å; L23-V54 HydrophobicContact CB-CG2 4.46Å; L23-V54 HydrophobicContact CD1-CG2 4.36Å; H50-V54 WeakPolarHBondContact O-CG2 3.43Å; H50-V54 PolarHBondContact O-N 3.16Å; A51-V54 PolarHBondContact O-N 3.25Å; T52-V54 PolarHBondContact O-N 3.15Å; V54-N56 PolarHBondContact O-N 2.92Å; V54-L57 PolarHBondContact O-N 3.42Å; V54-N58 PolarHBondContact O-N 3.39Å; V54-N58 VanDerWaalsContact O-N 3.08Å; V54-N58 PolarHBondContact O-ND2 2.8Å; V54-H90 HydrophobicContact CG2-CB 4.41Å; V54-H90 WeakPolarHBondContact CG2-ND1 3.38Å
55N98.6Very high98.5Very high98 Ų9846 Ų4652%0.52424%0.239SC..Hα-helixtrans-61.8-47.1-179.7-72.3-19.2000112A51 T52 Y53 L57 N58 I59A51-N55 VanDerWaalsContact O-CG 3.28Å; A51-N55 PolarHBondContact O-N 3.18Å; A51-N55 PolarHBondContact O-ND2 2.88Å; T52-N55 PolarHBondContact O-N 2.89Å; Y53-N55 PolarHBondContact O-N 3.16Å; N55-L57 VanDerWaalsContact C-N 3.35Å; N55-N58 PolarHBondContact O-N 3.32Å; N55-I59 WeakPolarHBondContact O-CG1 3.37Å; N55-I59 PolarHBondContact O-N 3.08Å; N55-I59 VanDerWaalsContact O-N 3.13Å
56N98.7Very high98.4Very high64 Ų6450.6 Ų50.634%0.34226%0.26SS..Hα-helixtrans-71-30.7-179.3-72.3-17.3000112.6T52 Y53 V54 I59 A60 N86T52-N56 WeakPolarHBondContact CG2-ND2 3.41Å; T52-N56 WeakPolarHBondContact O-CB 3.22Å; T52-N56 PolarHBondContact O-N 3.26Å; T52-N56 PolarHBondContact O-ND2 3.01Å; Y53-N56 PolarHBondContact O-N 3.36Å; V54-N56 PolarHBondContact O-N 2.92Å; N56-I59 PolarHBondContact O-N 3.48Å; N56-A60 WeakPolarHBondContact O-CB 3.19Å; N56-A60 PolarHBondContact O-N 2.95Å; N56-N86 HydrophobicContact CB-CB 4.12Å; N56-N86 WeakPolarHBondContact CB-OD1 3.28Å
57L98.6Very high98.4Very high8 Ų850 Ų504%0.04226%0.258CS..Hα-helixtrans-62-48.3171.4175.659.7000110.6H21 Y53 V54 N55 I59 A60 E61 L83 N86 H90H21-L57 HydrophobicContact CB-CD2 4.41Å; H21-L57 VanDerWaalsContact CD2-CD2 3.46Å; H21-L57 WeakPolarHBondContact CD2-CD2 3.17Å; Y53-L57 WeakPolarHBondContact O-CB 3.47Å; Y53-L57 PolarHBondContact O-N 3.46Å; V54-L57 PolarHBondContact O-N 3.42Å; N55-L57 VanDerWaalsContact C-N 3.35Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 2.93Å; L57-A60 VanDerWaalsContact O-N 3.17Å; L57-E61 HydrophobicContact CD1-CG 4.04Å; L57-E61 WeakPolarHBondContact O-CG 3.33Å; L57-E61 PolarHBondContact O-N 3.3Å; L57-L83 HydrophobicContact CD1-CD2 4.43Å; L57-N86 HydrophobicContact CB-CB 3.95Å; L57-H90 HydrophobicContact CD2-CB 4.04Å
58N98.5Very high98.4Very high16 Ų1649.3 Ų49.39%0.08625%0.25CC..Hα-helixtrans-57.3-44.8176.8-74.9-41.8000111.8H21 V54 N55 E61 E62H21-N58 PolarHBondContact CD2-OD1 3.4Å; H21-N58 PolarHBondContact N-OD1 2.91Å; H21-N58 PolarHBondContact O-ND2 2.81Å; V54-N58 PolarHBondContact O-N 3.39Å; V54-N58 VanDerWaalsContact O-N 3.08Å; V54-N58 PolarHBondContact O-ND2 2.8Å; N55-N58 PolarHBondContact O-N 3.32Å; N58-E61 PolarHBondContact O-N 3.29Å; N58-E62 WeakPolarHBondContact O-CG 3.01Å; N58-E62 PolarHBondContact O-N 3.37Å
59I98.5Very high98.4Very high84 Ų8446.3 Ų46.343%0.43125%0.245SC..Hα-helixtrans-61.9-45.2176.4-66.4166.5000111.1N55 N56 L57 E61 E62 Q63N55-I59 WeakPolarHBondContact O-CG1 3.37Å; N55-I59 PolarHBondContact O-N 3.08Å; N55-I59 VanDerWaalsContact O-N 3.13Å; N56-I59 PolarHBondContact O-N 3.48Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 PolarHBondContact O-N 3.47Å; I59-E61 PolarHBondContact O-N 3.12Å; I59-E62 PolarHBondContact O-N 3.02Å; I59-Q63 WeakPolarHBondContact O-CG 3.4Å; I59-Q63 PolarHBondContact O-N 2.95Å; I59-Q63 VanDerWaalsContact O-N 3.1Å
60A98.4Very high98.4Very high4 Ų449.8 Ų49.83%0.03326%0.259CS..Hα-helixtrans-64.4-40.2-179.600000112N56 L57 Q63 Y64 A82 L83N56-A60 WeakPolarHBondContact O-CB 3.19Å; N56-A60 PolarHBondContact O-N 2.95Å; L57-A60 PolarHBondContact O-N 2.93Å; L57-A60 VanDerWaalsContact O-N 3.17Å; A60-Q63 PolarHBondContact O-N 3.07Å; A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.41Å; A60-Y64 PolarHBondContact O-N 2.82Å; A60-A82 HydrophobicContact CB-CB 4.18Å; A60-L83 HydrophobicContact CB-CD2 3.82Å; A60-L83 HydrophobicContact CB-CG 4.21Å
61E98.1Very high98.4Very high48 Ų4854.2 Ų54.222%0.22429%0.29CS..Hα-helixtrans-67.4-38.8177.2-73.6-169.515500112.8H21 L57 N58 I59 Y64 A65 L83H21-E61 IonicContact CD2-OE2 2.66Å; H21-E61 PolarHBondContact CD2-OE2 3.01Å; H21-E61 VanDerWaalsContact NE2-CD 3.28Å; H21-E61 IonicContact NE2-OE1 3.96Å; H21-E61 PolarHBondContact NE2-OE1 3.11Å; H21-E61 VanDerWaalsContact NE2-OE1 3.11Å; H21-E61 IonicContact NE2-OE2 3.66Å; H21-E61 PolarHBondContact NE2-OE2 3.23Å; L57-E61 HydrophobicContact CD1-CG 4.04Å; L57-E61 WeakPolarHBondContact O-CG 3.33Å; L57-E61 PolarHBondContact O-N 3.3Å; N58-E61 PolarHBondContact O-N 3.29Å; I59-E61 PolarHBondContact O-N 3.12Å; E61-Y64 PolarHBondContact O-N 3.24Å; E61-A65 WeakPolarHBondContact O-CB 3.28Å; E61-A65 PolarHBondContact O-N 3.3Å; E61-L83 HydrophobicContact CG-CD2 3.86Å
62E97.8Very high98.3Very high96 Ų9656.7 Ų56.745%0.44930%0.301SS..Hα-helixtrans-60.5-50.1173.7-75.3175.1-178.300111.2K20 N58 I59 Y64 A65 E66K20-E62 WeakPolarHBondContact CE-OE1 3.18Å; K20-E62 IonicContact NZ-OE1 2.71Å; K20-E62 PolarHBondContact NZ-OE1 3.03Å; N58-E62 WeakPolarHBondContact O-CG 3.01Å; N58-E62 PolarHBondContact O-N 3.37Å; I59-E62 PolarHBondContact O-N 3.02Å; E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 PolarHBondContact O-N 2.87Å; E62-A65 PolarHBondContact O-N 3.12Å; E62-E66 PolarHBondContact O-N 2.97Å
63Q98.3Very high98.3Very high72 Ų7257.7 Ų57.734%0.33631%0.307SS..Hα-helixtrans-62.7-35.2177-67.7-175.412.200112.2I59 A60 A67 L79I59-Q63 WeakPolarHBondContact O-CG 3.4Å; I59-Q63 PolarHBondContact O-N 2.95Å; I59-Q63 VanDerWaalsContact O-N 3.1Å; A60-Q63 PolarHBondContact O-N 3.07Å; Q63-A67 WeakPolarHBondContact O-CB 3.36Å; Q63-A67 PolarHBondContact O-N 2.9Å; Q63-L79 HydrophobicContact CB-CD1 3.82Å; Q63-L79 HydrophobicContact CB-CD2 4.03Å
64Y98.3Very high98.3Very high70 Ų7062.4 Ų62.428%0.27534%0.337SS..Hα-helixtrans-70.2-40.5178.5-167.3-102.1000111.6A60 E61 E62 E66 A67 I68 M76 L79 L83A60-Y64 VanDerWaalsContact O-CB 3.26Å; A60-Y64 WeakPolarHBondContact O-CB 3.41Å; A60-Y64 PolarHBondContact O-N 2.82Å; E61-Y64 PolarHBondContact O-N 3.24Å; E62-Y64 VanDerWaalsContact C-N 3.27Å; E62-Y64 PolarHBondContact O-N 2.87Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; Y64-A67 PolarHBondContact O-N 3.42Å; Y64-I68 HydrophobicContact CD1-CD1 3.59Å; Y64-I68 HydrophobicContact CD1-CG1 4.31Å; Y64-I68 HydrophobicContact CE1-CD1 3.4Å; Y64-I68 VanDerWaalsContact CE1-CD1 3.4Å; Y64-I68 HydrophobicContact CE1-CG1 4.15Å; Y64-I68 WeakPolarHBondContact O-CG1 3.2Å; Y64-I68 PolarHBondContact O-N 3.21Å; Y64-M76 HydrophobicContact CD2-CB 4.28Å; Y64-M76 HydrophobicContact CD2-CG 4.35Å; Y64-M76 HydrophobicContact CE2-CB 3.66Å; Y64-M76 HydrophobicContact CE2-CG 3.96Å; Y64-M76 WeakPolarHBondContact CE2-O 3.44Å; Y64-L79 HydrophobicContact CD2-CB 4.12Å; Y64-L79 HydrophobicContact CD2-CD1 4.06Å; Y64-L83 HydrophobicContact CD1-CD1 4.42Å; Y64-L83 HydrophobicContact CD2-CD1 3.61Å; Y64-L83 HydrophobicContact CE2-CD1 3.99Å; Y64-L83 HydrophobicContact CG-CD1 3.86Å
65A97.5Very high98.3Very high37 Ų3765.8 Ų65.831%0.30635%0.351SS..Hα-helixtrans-62.8-41.2174.400000111.9E61 E62 I68 S69E61-A65 WeakPolarHBondContact O-CB 3.28Å; E61-A65 PolarHBondContact O-N 3.3Å; E62-A65 PolarHBondContact O-N 3.12Å; A65-I68 WeakPolarHBondContact O-CB 3.5Å; A65-I68 PolarHBondContact O-N 3.45Å; A65-S69 PolarHBondContact O-N 2.9Å
66E98.1Very high98.3Very high96 Ų9662.6 Ų62.645%0.44933%0.334SS..Hα-helixtrans-62.3-47.2173.9-173-174.5176.700111.2E62 Y64 I68 S69 K70E62-E66 PolarHBondContact O-N 2.97Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; E66-I68 VanDerWaalsContact C-N 3.29Å; E66-I68 PolarHBondContact O-N 3.09Å; E66-S69 PolarHBondContact O-N 3.19Å; E66-S69 PolarHBondContact O-OG 3.4Å; E66-K70 HydrophobicContact CG-CD 4.15Å; E66-K70 PolarHBondContact O-N 3Å; E66-K70 WeakPolarHBondContact OE1-CE 3.38Å; E66-K70 IonicContact OE1-NZ 2.6Å; E66-K70 PolarHBondContact OE1-NZ 3.2Å
67A98.4Very high98.3Very high3 Ų364.1 Ų64.13%0.02534%0.341CS..Hα-helixtrans-57-43.8175.800000111.5Q63 Y64 S69 K70 S71 D72 K75 M76Q63-A67 WeakPolarHBondContact O-CB 3.36Å; Q63-A67 PolarHBondContact O-N 2.9Å; Y64-A67 PolarHBondContact O-N 3.42Å; A67-S69 VanDerWaalsContact C-N 3.34Å; A67-S69 PolarHBondContact O-N 2.98Å; A67-K70 CarbonylContact O-C 3.51Å; A67-K70 PolarHBondContact O-N 3.48Å; A67-S71 PolarHBondContact O-N 2.68Å; A67-D72 PolarHBondContact O-N 2.96Å; A67-K75 HydrophobicContact CB-CB 3.97Å; A67-K75 HydrophobicContact CB-CG 3.78Å; A67-M76 HydrophobicContact CB-CG 3.69Å; A67-M76 WeakPolarHBondContact O-CE 3.21Å
68I98.2Very high98.3Very high43 Ų4367.3 Ų67.322%0.22136%0.364CS..Hα-helixtrans-58.6-41.3173.3-74.6171.3000112.3R13 Y64 A65 E66 K70 S71 M76R13-I68 VanDerWaalsContact NH1-CG2 3.32Å; R13-I68 PolarHBondContact NH1-O 2.89Å; R13-I68 VanDerWaalsContact NH1-O 3.16Å; Y64-I68 HydrophobicContact CD1-CD1 3.59Å; Y64-I68 HydrophobicContact CD1-CG1 4.31Å; Y64-I68 HydrophobicContact CE1-CD1 3.4Å; Y64-I68 VanDerWaalsContact CE1-CD1 3.4Å; Y64-I68 HydrophobicContact CE1-CG1 4.15Å; Y64-I68 WeakPolarHBondContact O-CG1 3.2Å; Y64-I68 PolarHBondContact O-N 3.21Å; A65-I68 WeakPolarHBondContact O-CB 3.5Å; A65-I68 PolarHBondContact O-N 3.45Å; E66-I68 VanDerWaalsContact C-N 3.29Å; E66-I68 PolarHBondContact O-N 3.09Å; I68-K70 VanDerWaalsContact C-N 3.3Å; I68-S71 PolarHBondContact O-N 3.43Å; I68-M76 HydrophobicContact CB-CE 4.45Å; I68-M76 HydrophobicContact CG1-CE 4.11Å; I68-M76 HydrophobicContact CG1-CG 4.29Å; I68-M76 HydrophobicContact CG1-SD 3.65Å
69S98.1Very high98.3Very high67 Ų6767 Ų6747%0.46936%0.362SS..Hα-helixtrans-68.3-31.2178.1730000112.8A65 E66 A67A65-S69 PolarHBondContact O-N 2.9Å; E66-S69 PolarHBondContact O-N 3.19Å; E66-S69 PolarHBondContact O-OG 3.4Å; A67-S69 VanDerWaalsContact C-N 3.34Å; A67-S69 PolarHBondContact O-N 2.98Å
70K98.3Very high98.3Very high137 Ų13768.1 Ų68.160%0.59637%0.366SS*.Hα-helixtrans-88.8-3.2179.2-69.2176.7174.3177.10113.5E66 A67 I68 D72E66-K70 HydrophobicContact CG-CD 4.15Å; E66-K70 PolarHBondContact O-N 3Å; E66-K70 WeakPolarHBondContact OE1-CE 3.38Å; E66-K70 IonicContact OE1-NZ 2.6Å; E66-K70 PolarHBondContact OE1-NZ 3.2Å; A67-K70 CarbonylContact O-C 3.51Å; A67-K70 PolarHBondContact O-N 3.48Å; I68-K70 VanDerWaalsContact C-N 3.3Å; K70-D72 HydrophobicContact CB-CB 4.34Å; K70-D72 PolarHBondContact O-N 3.25Å
71S98.1Very high98.3Very high94 Ų9472.1 Ų72.166%0.65739%0.391SS*.THydrogen-bonded Turntrans53.630-169.8-58.40000113A67 I68 V73A67-S71 PolarHBondContact O-N 2.68Å; I68-S71 PolarHBondContact O-N 3.43Å; S71-V73 PolarHBondContact O-N 3Å; S71-V73 VanDerWaalsContact O-N 3.11Å
72D98.5Very high98.3Very high69 Ų6971.6 Ų71.637%0.36940%0.395SS..  trans-84.484.8179.4-174-14000110A67 K70 T74 K75 M76A67-D72 PolarHBondContact O-N 2.96Å; K70-D72 HydrophobicContact CB-CB 4.34Å; K70-D72 PolarHBondContact O-N 3.25Å; D72-T74 VanDerWaalsContact C-N 3.26Å; D72-T74 PolarHBondContact O-N 3.13Å; D72-T74 PolarHBondContact OD1-N 3.34Å; D72-K75 HydrophobicContact CB-CB 4.07Å; D72-K75 PolarHBondContact O-N 2.98Å; D72-K75 PolarHBondContact OD1-N 3.22Å; D72-K75 VanDerWaalsContact OD2-CB 3.32Å; D72-K75 WeakPolarHBondContact OD2-CB 3.45Å; D72-M76 WeakPolarHBondContact O-CG 3.4Å; D72-M76 PolarHBondContact O-N 3.42Å
73V98.6Very high98.3Very high89 Ų8968.8 Ų68.854%0.53938%0.383SS..Hα-helixtrans-61.5-35.8-178.9178.10000111.5S71 M76 I77S71-V73 PolarHBondContact O-N 3Å; S71-V73 VanDerWaalsContact O-N 3.11Å; V73-M76 HydrophobicContact CG2-CE 4.5Å; V73-M76 WeakPolarHBondContact O-CB 3.39Å; V73-M76 PolarHBondContact O-N 3.06Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.42Å; V73-I77 WeakPolarHBondContact O-CG1 3.44Å; V73-I77 PolarHBondContact O-N 3.17Å
74T98.7Very high98.3Very high112 Ų11271.4 Ų71.469%0.68739%0.39SS*.Hα-helixtrans-63.8-44.9178.6-58.80000111D72 I77 S78D72-T74 VanDerWaalsContact C-N 3.26Å; D72-T74 PolarHBondContact O-N 3.13Å; D72-T74 PolarHBondContact OD1-N 3.34Å; T74-I77 PolarHBondContact O-N 3.45Å; T74-S78 PolarHBondContact O-N 2.69Å
75K98.6Very high98.4Very high74 Ų7471.4 Ų71.432%0.32239%0.391SS..Hα-helixtrans-66.5-38.6174.8-177.562176.1171.70112.1A67 D72 I77 S78 L79A67-K75 HydrophobicContact CB-CB 3.97Å; A67-K75 HydrophobicContact CB-CG 3.78Å; D72-K75 HydrophobicContact CB-CB 4.07Å; D72-K75 PolarHBondContact O-N 2.98Å; D72-K75 PolarHBondContact OD1-N 3.22Å; D72-K75 VanDerWaalsContact OD2-CB 3.32Å; D72-K75 WeakPolarHBondContact OD2-CB 3.45Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 3.01Å; K75-S78 PolarHBondContact O-N 3.5Å; K75-S78 PolarHBondContact O-OG 3.49Å; K75-S78 VanDerWaalsContact O-OG 3.09Å; K75-L79 HydrophobicContact CD-CD1 4.31Å; K75-L79 HydrophobicContact CD-CG 4.31Å; K75-L79 HydrophobicContact CG-CD1 4.14Å; K75-L79 VanDerWaalsContact O-CG 3.29Å; K75-L79 WeakPolarHBondContact O-CG 3.2Å; K75-L79 PolarHBondContact O-N 3.46Å
76M98.7Very high98.4Very high31 Ų3170.2 Ų70.215%0.15338%0.38CS..Hα-helixtrans-57.9-45.6173.7-70.7-177.4-12900111.6Y64 A67 I68 D72 V73 L79Y64-M76 HydrophobicContact CD2-CB 4.28Å; Y64-M76 HydrophobicContact CD2-CG 4.35Å; Y64-M76 HydrophobicContact CE2-CB 3.66Å; Y64-M76 HydrophobicContact CE2-CG 3.96Å; Y64-M76 WeakPolarHBondContact CE2-O 3.44Å; A67-M76 HydrophobicContact CB-CG 3.69Å; A67-M76 WeakPolarHBondContact O-CE 3.21Å; I68-M76 HydrophobicContact CB-CE 4.45Å; I68-M76 HydrophobicContact CG1-CE 4.11Å; I68-M76 HydrophobicContact CG1-CG 4.29Å; I68-M76 HydrophobicContact CG1-SD 3.65Å; D72-M76 WeakPolarHBondContact O-CG 3.4Å; D72-M76 PolarHBondContact O-N 3.42Å; V73-M76 HydrophobicContact CG2-CE 4.5Å; V73-M76 WeakPolarHBondContact O-CB 3.39Å; V73-M76 PolarHBondContact O-N 3.06Å; M76-L79 PolarHBondContact O-N 3.11Å
77I98.7Very high98.5Very high96 Ų9666.1 Ų66.149%0.49236%0.363SS..Hα-helixtrans-65.5-44.6179.1-68.4166.9000110.8V73 T74 K75 L79 Q80V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 HydrophobicContact CG1-CG1 4.42Å; V73-I77 WeakPolarHBondContact O-CG1 3.44Å; V73-I77 PolarHBondContact O-N 3.17Å; T74-I77 PolarHBondContact O-N 3.45Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 3.01Å; I77-L79 PolarHBondContact O-N 3.03Å; I77-Q80 WeakPolarHBondContact O-CB 3.41Å; I77-Q80 WeakPolarHBondContact O-CG 3.27Å; I77-Q80 PolarHBondContact O-N 2.95Å; I77-Q80 VanDerWaalsContact O-N 3.13Å
78S98.5Very high98.5Very high76 Ų7666 Ų6653%0.53136%0.363SS..Hα-helixtrans-66.1-20.4-177.870.20000114.2T74 K75 P81T74-S78 PolarHBondContact O-N 2.69Å; K75-S78 PolarHBondContact O-N 3.5Å; K75-S78 PolarHBondContact O-OG 3.49Å; K75-S78 VanDerWaalsContact O-OG 3.09Å; S78-P81 WeakPolarHBondContact O-CD 3.44Å
79L98.6Very high98.5Very high9 Ų964 Ų645%0.04735%0.352CS..THydrogen-bonded Turntrans-83.3-14.6176.3-72.1168.9000114.2Q63 Y64 K75 M76 I77 A82 L83Q63-L79 HydrophobicContact CB-CD1 3.82Å; Q63-L79 HydrophobicContact CB-CD2 4.03Å; Y64-L79 HydrophobicContact CD2-CB 4.12Å; Y64-L79 HydrophobicContact CD2-CD1 4.06Å; K75-L79 HydrophobicContact CD-CD1 4.31Å; K75-L79 HydrophobicContact CD-CG 4.31Å; K75-L79 HydrophobicContact CG-CD1 4.14Å; K75-L79 VanDerWaalsContact O-CG 3.29Å; K75-L79 WeakPolarHBondContact O-CG 3.2Å; K75-L79 PolarHBondContact O-N 3.46Å; M76-L79 PolarHBondContact O-N 3.11Å; I77-L79 PolarHBondContact O-N 3.03Å; L79-A82 PolarHBondContact O-N 3.17Å; L79-A82 VanDerWaalsContact O-N 3.1Å; L79-L83 HydrophobicContact CB-CD1 4.43Å; L79-L83 PolarHBondContact O-N 3Å
80Q98.3Very high98.5Very high108 Ų10862 Ų6251%0.50534%0.336SS..Hα-helixtrans-56.5-42-175.8-68.4-179.2-10.600113.9I77 A82 L83 R84I77-Q80 WeakPolarHBondContact O-CB 3.41Å; I77-Q80 WeakPolarHBondContact O-CG 3.27Å; I77-Q80 PolarHBondContact O-N 2.95Å; I77-Q80 VanDerWaalsContact O-N 3.13Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.39Å; Q80-L83 PolarHBondContact O-N 3.24Å; Q80-R84 VanDerWaalsContact O-CB 3.32Å; Q80-R84 WeakPolarHBondContact O-CB 3.49Å; Q80-R84 PolarHBondContact O-N 3.37Å
81P98.2Very high98.6Very high87 Ų8759.4 Ų59.457%0.56533%0.327SS*.Hα-helixtrans-61-40.4176.2-24.635.9000112.9S78 R84 F85S78-P81 WeakPolarHBondContact O-CD 3.44Å; P81-R84 PolarHBondContact O-N 3.38Å; P81-F85 VanDerWaalsContact O-CB 3.25Å; P81-F85 WeakPolarHBondContact O-CB 3.43Å; P81-F85 PolarHBondContact O-N 3.01Å
82A98.5Very high98.6Very high37 Ų3755 Ų5531%0.30630%0.296SS..Hα-helixtrans-69-41.3179.700000112A60 L79 Q80 N86A60-A82 HydrophobicContact CB-CB 4.18Å; L79-A82 PolarHBondContact O-N 3.17Å; L79-A82 VanDerWaalsContact O-N 3.1Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-A82 PolarHBondContact O-N 3.39Å; A82-N86 WeakPolarHBondContact O-CB 3.29Å; A82-N86 PolarHBondContact O-N 3.46Å; A82-N86 PolarHBondContact O-ND2 2.66Å
83L98.3Very high98.6Very high37 Ų3751.7 Ų51.719%0.19428%0.279CS..Hα-helixtrans-62.2-45.2174.2-70.8167.2000111.1L57 A60 E61 Y64 L79 Q80 G87L57-L83 HydrophobicContact CD1-CD2 4.43Å; A60-L83 HydrophobicContact CB-CD2 3.82Å; A60-L83 HydrophobicContact CB-CG 4.21Å; E61-L83 HydrophobicContact CG-CD2 3.86Å; Y64-L83 HydrophobicContact CD1-CD1 4.42Å; Y64-L83 HydrophobicContact CD2-CD1 3.61Å; Y64-L83 HydrophobicContact CE2-CD1 3.99Å; Y64-L83 HydrophobicContact CG-CD1 3.86Å; L79-L83 HydrophobicContact CB-CD1 4.43Å; L79-L83 PolarHBondContact O-N 3Å; Q80-L83 PolarHBondContact O-N 3.24Å; L83-G87 VanDerWaalsContact O-CA 3.23Å; L83-G87 WeakPolarHBondContact O-CA 3.27Å; L83-G87 PolarHBondContact O-N 2.71Å
84R98.3Very high98.6Very high127 Ų12748.8 Ų48.848%0.47926%0.263SS..Hα-helixtrans-64.3-49.9179.2-178.1172.1175.7157.1-0.4111.8Q80 P81 G88 D163Q80-R84 VanDerWaalsContact O-CB 3.32Å; Q80-R84 WeakPolarHBondContact O-CB 3.49Å; Q80-R84 PolarHBondContact O-N 3.37Å; P81-R84 PolarHBondContact O-N 3.38Å; R84-G88 WeakPolarHBondContact O-CA 3.48Å; R84-G88 PolarHBondContact O-N 2.92Å; R84-D163 IonicContact CZ-OD1 3.55Å; R84-D163 IonicContact CZ-OD2 3.44Å; R84-D163 VanDerWaalsContact NE-CG 3.3Å; R84-D163 IonicContact NE-OD1 2.74Å; R84-D163 PolarHBondContact NE-OD1 3.13Å; R84-D163 IonicContact NE-OD2 3.46Å; R84-D163 PolarHBondContact NE-OD2 3.46Å; R84-D163 VanDerWaalsContact NH2-CG 3.29Å; R84-D163 IonicContact NH2-OD1 3.57Å; R84-D163 IonicContact NH2-OD2 2.68Å; R84-D163 PolarHBondContact NH2-OD2 2.88Å
85F98.7Very high98.6Very high70 Ų7044.1 Ų44.131%0.30723%0.233SC..Hα-helixtrans-67.5-49.7-176.5-176.1-99.8000112.5Y53 P81 G89 N161 Q162 W180Y53-F85 HydrophobicContact CD1-CD1 4.49Å; Y53-F85 HydrophobicContact CD1-CE1 4.13Å; Y53-F85 HydrophobicContact CE1-CD1 4.3Å; Y53-F85 AromaticContact CE1-CE1 3.56Å; Y53-F85 HydrophobicContact CE1-CE1 3.56Å; Y53-F85 AromaticContact CE1-CZ 3.95Å; Y53-F85 HydrophobicContact CE1-CZ 3.95Å; P81-F85 VanDerWaalsContact O-CB 3.25Å; P81-F85 WeakPolarHBondContact O-CB 3.43Å; P81-F85 PolarHBondContact O-N 3.01Å; F85-G89 PolarHBondContact O-N 3.37Å; F85-N161 HydrophobicContact CD2-CB 4.28Å; F85-N161 HydrophobicContact CE2-CB 4.24Å; F85-Q162 HydrophobicContact CD2-CB 3.98Å; F85-Q162 HydrophobicContact CD2-CG 4.08Å; F85-Q162 HydrophobicContact CE2-CB 4.2Å; F85-Q162 HydrophobicContact CE2-CG 3.8Å; F85-Q162 HydrophobicContact CG-CB 4.44Å; F85-Q162 HydrophobicContact CZ-CG 4.09Å; F85-Q162 WeakPolarHBondContact O-CB 3.4Å; F85-W180 AromaticContact CE2-CH2 3.58Å; F85-W180 HydrophobicContact CE2-CH2 3.58Å; F85-W180 AromaticContact CE2-CZ2 3.61Å; F85-W180 HydrophobicContact CE2-CZ2 3.61Å; F85-W180 AromaticContact CZ-CH2 3.68Å; F85-W180 HydrophobicContact CZ-CH2 3.68Å; F85-W180 HydrophobicContact CZ-CZ2 4.02Å
86N98.8Very high98.6Very high12 Ų1240.6 Ų40.66%0.06422%0.218CC..Hα-helixtrans-79.3-35.9-177-63-68.8000112.2Y53 N56 L57 A82 G89 H90Y53-N86 WeakPolarHBondContact O-CB 3.28Å; N56-N86 HydrophobicContact CB-CB 4.12Å; N56-N86 WeakPolarHBondContact CB-OD1 3.28Å; L57-N86 HydrophobicContact CB-CB 3.95Å; A82-N86 WeakPolarHBondContact O-CB 3.29Å; A82-N86 PolarHBondContact O-N 3.46Å; A82-N86 PolarHBondContact O-ND2 2.66Å; N86-G89 PolarHBondContact O-N 3.49Å; N86-H90 PolarHBondContact O-N 3.33Å
87G98.6Very high98.6Very high10 Ų1039.2 Ų39.210%0.10321%0.211CC..Hα-helixtrans-64.4-47.2174.100000112L83 G89 H90 I91L83-G87 VanDerWaalsContact O-CA 3.23Å; L83-G87 WeakPolarHBondContact O-CA 3.27Å; L83-G87 PolarHBondContact O-N 2.71Å; G87-G89 VanDerWaalsContact C-N 3.34Å; G87-H90 PolarHBondContact O-N 3.03Å; G87-I91 VanDerWaalsContact O-CG1 3.3Å; G87-I91 WeakPolarHBondContact O-CG1 3.46Å; G87-I91 PolarHBondContact O-N 3.47Å
88G98.7Very high98.6Very high1 Ų138.5 Ų38.51%0.0121%0.205CC..Hα-helixtrans-66.1-36.8174.500000112.8R84 H90 I91 N92 Q162R84-G88 WeakPolarHBondContact O-CA 3.48Å; R84-G88 PolarHBondContact O-N 2.92Å; G88-H90 VanDerWaalsContact C-N 3.34Å; G88-H90 PolarHBondContact O-N 3.13Å; G88-I91 PolarHBondContact O-N 3.46Å; G88-N92 WeakPolarHBondContact O-CB 3.48Å; G88-N92 PolarHBondContact O-N 2.98Å; G88-N92 PolarHBondContact O-ND2 2.86Å; G88-N92 PolarHBondContact O-OD1 3.04Å; G88-Q162 CarbonylContact C-O 3.58Å; G88-Q162 WeakPolarHBondContact CA-O 3.31Å
89G98.8Very high98.6Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-58.8-46171.800000111.6F85 N86 G87 H93F85-G89 PolarHBondContact O-N 3.37Å; N86-G89 PolarHBondContact O-N 3.49Å; G87-G89 VanDerWaalsContact C-N 3.34Å; G89-H93 WeakPolarHBondContact O-CB 3.36Å; G89-H93 PolarHBondContact O-N 3.22Å; G89-H93 PolarHBondContact O-ND1 2.94Å
90H98.8Very high98.6Very high27 Ų2734.5 Ų34.513%0.12518%0.178CC..Hα-helixtrans-62.7-47.2175.8-17836000112.7H21 H50 V54 L57 N86 G87 G88 S94H21-H90 AromaticContact ND1-CD2 3.77Å; H21-H90 AromaticContact ND1-NE2 3.84Å; H50-H90 AromaticContact CD2-ND1 3.92Å; H50-H90 AromaticContact CE1-ND1 3.89Å; H50-H90 AromaticContact NE2-CE1 3.87Å; H50-H90 AromaticContact NE2-CG 3.96Å; H50-H90 AromaticContact NE2-ND1 2.96Å; H50-H90 PolarHBondContact NE2-ND1 2.83Å; H50-H90 PolarHBondContact NE2-O 3.33Å; V54-H90 HydrophobicContact CG2-CB 4.41Å; V54-H90 WeakPolarHBondContact CG2-ND1 3.38Å; L57-H90 HydrophobicContact CD2-CB 4.04Å; N86-H90 PolarHBondContact O-N 3.33Å; G87-H90 PolarHBondContact O-N 3.03Å; G88-H90 VanDerWaalsContact C-N 3.34Å; G88-H90 PolarHBondContact O-N 3.13Å; H90-S94 PolarHBondContact CE1-OG 2.84Å; H90-S94 PolarHBondContact ND1-OG 3.47Å; H90-S94 VanDerWaalsContact O-CB 3.24Å; H90-S94 WeakPolarHBondContact O-CB 3.43Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.83Å
91I98.7Very high98.6Very high81 Ų8130.5 Ų30.542%0.41516%0.162SC..Hα-helixtrans-63-53.2-179.7-69164.1000110.9G87 G88 H93 S94 I95 P164G87-I91 VanDerWaalsContact O-CG1 3.3Å; G87-I91 WeakPolarHBondContact O-CG1 3.46Å; G87-I91 PolarHBondContact O-N 3.47Å; G88-I91 PolarHBondContact O-N 3.46Å; I91-H93 PolarHBondContact O-N 2.98Å; I91-S94 PolarHBondContact O-N 3.47Å; I91-I95 HydrophobicContact CG2-CD1 3.9Å; I91-I95 WeakPolarHBondContact O-CG1 3.45Å; I91-I95 PolarHBondContact O-N 3.42Å; I91-I95 VanDerWaalsContact O-N 3.1Å; I91-P164 HydrophobicContact CD1-CB 4.26Å; I91-P164 HydrophobicContact CG2-CB 4.44Å
92N98.9Very high98.6Very high1 Ų129.8 Ų29.81%0.00516%0.159CC..Hα-helixtrans-60.9-45.8-173.8-66.9-6.9000111.1G88 I95 F96 W142 W144 Q162 D163 P164G88-N92 WeakPolarHBondContact O-CB 3.48Å; G88-N92 PolarHBondContact O-N 2.98Å; G88-N92 PolarHBondContact O-ND2 2.86Å; G88-N92 PolarHBondContact O-OD1 3.04Å; N92-I95 WeakPolarHBondContact O-CB 3.22Å; N92-I95 PolarHBondContact O-N 2.68Å; N92-F96 WeakPolarHBondContact O-CB 3.38Å; N92-F96 PolarHBondContact O-N 3.23Å; N92-W142 HydrophobicContact CB-CD2 4.16Å; N92-W142 HydrophobicContact CB-CE3 4.35Å; N92-W142 HydrophobicContact CB-CH2 3.77Å; N92-W142 HydrophobicContact CB-CZ2 3.53Å; N92-W142 HydrophobicContact CB-CZ3 4.17Å; N92-W142 PolarHBondContact ND2-NE1 3.35Å; N92-W144 HydrophobicContact CB-CH2 4.28Å; N92-W144 HydrophobicContact CB-CZ2 3.97Å; N92-Q162 PolarHBondContact ND2-O 3.42Å; N92-D163 PolarHBondContact ND2-O 3.43Å; N92-P164 WeakPolarHBondContact OD1-CA 3.39Å
93H98.9Very high98.4Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-70.4-38.6179.5-68.180.3000112.2H45 H50 Y53 G89 I91 I95 F96 W97 W142 Q162 D178 H182H45-H93 AromaticContact CD2-CD2 3.66Å; H45-H93 AromaticContact CD2-NE2 3.52Å; H45-H93 AromaticContact NE2-CD2 3.25Å; H45-H93 PolarHBondContact NE2-CD2 3.16Å; H45-H93 AromaticContact NE2-NE2 3Å; H45-H93 PolarHBondContact NE2-NE2 3.46Å; H50-H93 HydrophobicContact CB-CB 4.14Å; Y53-H93 AromaticContact CD2-CE1 3.77Å; Y53-H93 AromaticContact CD2-ND1 3.91Å; Y53-H93 AromaticContact CE2-CE1 3.33Å; Y53-H93 WeakPolarHBondContact CE2-CE1 3.19Å; Y53-H93 AromaticContact CE2-ND1 3.95Å; Y53-H93 AromaticContact CE2-NE2 3.9Å; G89-H93 WeakPolarHBondContact O-CB 3.36Å; G89-H93 PolarHBondContact O-N 3.22Å; G89-H93 PolarHBondContact O-ND1 2.94Å; I91-H93 PolarHBondContact O-N 2.98Å; H93-I95 PolarHBondContact O-N 3.44Å; H93-F96 PolarHBondContact O-N 3.18Å; H93-F96 VanDerWaalsContact O-N 3.12Å; H93-W97 HydrophobicContact CB-CZ2 3.76Å; H93-W97 AromaticContact CD2-CH2 3.77Å; H93-W97 AromaticContact CD2-CZ2 3.48Å; H93-W97 VanDerWaalsContact CD2-CZ2 3.48Å; H93-W97 WeakPolarHBondContact CD2-CZ2 3.27Å; H93-W97 AromaticContact CG-CZ2 3.99Å; H93-W97 PolarHBondContact O-N 3.29Å; H93-W97 PolarHBondContact O-NE1 2.86Å; H93-W97 VanDerWaalsContact O-NE1 3.09Å; H93-W142 AromaticContact CE1-CZ2 3.61Å; H93-W142 AromaticContact ND1-CZ2 3.85Å; H93-Q162 PolarHBondContact CE1-NE2 2.93Å; H93-D178 IonicContact NE2-OD2 3.12Å; H93-H182 AromaticContact NE2-NE2 3.93Å
94S98.7Very high98.4Very high29 Ų2934.6 Ų34.620%0.20319%0.185CC..Hα-helixtrans-59.5-27.8174.5-60.20000112.3H50 H90 I91 H98H50-S94 PolarHBondContact CE1-OG 3.3Å; H90-S94 PolarHBondContact CE1-OG 2.84Å; H90-S94 PolarHBondContact ND1-OG 3.47Å; H90-S94 VanDerWaalsContact O-CB 3.24Å; H90-S94 WeakPolarHBondContact O-CB 3.43Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.83Å; I91-S94 PolarHBondContact O-N 3.47Å; S94-H98 PolarHBondContact O-CD2 2.89Å
95I98.8Very high98.3Very high13 Ų1329.2 Ų29.27%0.06717%0.17CC..Hα-helixtrans-79.3-49.5171.7-62.7167000110.6I91 N92 H93 W97 H98 N99 W144 P173I91-I95 HydrophobicContact CG2-CD1 3.9Å; I91-I95 WeakPolarHBondContact O-CG1 3.45Å; I91-I95 PolarHBondContact O-N 3.42Å; I91-I95 VanDerWaalsContact O-N 3.1Å; N92-I95 WeakPolarHBondContact O-CB 3.22Å; N92-I95 PolarHBondContact O-N 2.68Å; H93-I95 PolarHBondContact O-N 3.44Å; I95-W97 VanDerWaalsContact C-N 3.34Å; I95-W97 PolarHBondContact O-N 3.42Å; I95-H98 PolarHBondContact O-N 3.22Å; I95-H98 VanDerWaalsContact O-N 3.12Å; I95-N99 WeakPolarHBondContact CG2-OD1 3.41Å; I95-N99 PolarHBondContact O-N 3.1Å; I95-W144 HydrophobicContact CD1-CH2 4.47Å; I95-W144 HydrophobicContact CG2-CH2 4.37Å; I95-W144 HydrophobicContact CG2-CZ3 4.04Å; I95-P173 HydrophobicContact CD1-CB 3.82Å; I95-P173 HydrophobicContact CD1-CG 3.44Å; I95-P173 VanDerWaalsContact CD1-CG 3.44Å
96F98.9Very high98.3Very high0 Ų028.8 Ų28.80%018%0.184CC..Hα-helixtrans-53.1-45.7-176.1-177.1-122.5000113.1I37 H45 N92 H93 H98 N99 L100 W142 G176 D178 I199I37-F96 HydrophobicContact CD1-CZ 4.49Å; H45-F96 AromaticContact CE1-CE1 3.68Å; N92-F96 WeakPolarHBondContact O-CB 3.38Å; N92-F96 PolarHBondContact O-N 3.23Å; H93-F96 PolarHBondContact O-N 3.18Å; H93-F96 VanDerWaalsContact O-N 3.12Å; F96-H98 VanDerWaalsContact C-N 3.26Å; F96-H98 PolarHBondContact O-N 3.34Å; F96-N99 WeakPolarHBondContact O-CB 3.05Å; F96-N99 PolarHBondContact O-N 3.2Å; F96-L100 HydrophobicContact CD1-CD1 4.46Å; F96-L100 HydrophobicContact CD2-CD1 4.41Å; F96-L100 HydrophobicContact CE1-CD1 3.93Å; F96-L100 HydrophobicContact CE2-CD1 3.89Å; F96-L100 HydrophobicContact CE2-CD2 4.23Å; F96-L100 HydrophobicContact CE2-CG 4.27Å; F96-L100 HydrophobicContact CZ-CD1 3.62Å; F96-L100 HydrophobicContact CZ-CG 4.49Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 3.08Å; F96-W142 HydrophobicContact CB-CH2 4.02Å; F96-W142 HydrophobicContact CB-CZ3 3.91Å; F96-W142 HydrophobicContact CD2-CZ3 4.1Å; F96-W142 HydrophobicContact CG-CH2 4.2Å; F96-W142 HydrophobicContact CG-CZ3 4.03Å; F96-G176 WeakPolarHBondContact CD2-O 3.1Å; F96-D178 HydrophobicContact CE1-CB 4.45Å; F96-D178 HydrophobicContact CE2-CB 4.39Å; F96-D178 HydrophobicContact CZ-CB 4.27Å; F96-I199 HydrophobicContact CE2-CD1 3.9Å; F96-I199 HydrophobicContact CZ-CD1 4.25Å
97W98.7Very high98.3Very high3 Ų332.4 Ų32.41%0.01121%0.207CC..THydrogen-bonded Turntrans-59.2-38.7-179.1-50.1133.7000112.9L26 P27 Y28 M42 H45 H46 H50 H93 I95L26-W97 HydrophobicContact CD2-CB 4.14Å; L26-W97 HydrophobicContact CD2-CD2 3.73Å; L26-W97 HydrophobicContact CD2-CE3 3.93Å; L26-W97 HydrophobicContact CD2-CG 3.8Å; P27-W97 HydrophobicContact CG-CB 4.27Å; Y28-W97 VanDerWaalsContact CE1-O 3.22Å; Y28-W97 WeakPolarHBondContact CE1-O 3.44Å; Y28-W97 PolarHBondContact OH-O 2.87Å; M42-W97 HydrophobicContact CE-CZ3 3.74Å; M42-W97 HydrophobicContact SD-CE3 3.98Å; M42-W97 HydrophobicContact SD-CH2 4.46Å; M42-W97 HydrophobicContact SD-CZ3 3.57Å; M42-W97 VanDerWaalsContact SD-CZ3 3.57Å; H45-W97 HydrophobicContact CB-CH2 4.07Å; H45-W97 AromaticContact CD2-CH2 3.67Å; H45-W97 AromaticContact CE1-CH2 3.91Å; H45-W97 AromaticContact CG-CH2 3.55Å; H45-W97 AromaticContact ND1-CH2 3.72Å; H45-W97 AromaticContact NE2-CH2 3.88Å; H46-W97 HydrophobicContact CB-CH2 4.41Å; H46-W97 HydrophobicContact CB-CZ2 4.12Å; H46-W97 AromaticContact CD2-CE2 3.91Å; H46-W97 AromaticContact CD2-NE1 3.7Å; H50-W97 HydrophobicContact CB-CZ2 4.1Å; H50-W97 AromaticContact CE1-NE1 3.51Å; H50-W97 AromaticContact CG-NE1 3.98Å; H50-W97 AromaticContact ND1-CD1 3.95Å; H50-W97 AromaticContact ND1-CE2 3.86Å; H50-W97 AromaticContact ND1-NE1 2.97Å; H50-W97 PolarHBondContact ND1-NE1 3.26Å; H93-W97 HydrophobicContact CB-CZ2 3.76Å; H93-W97 AromaticContact CD2-CH2 3.77Å; H93-W97 AromaticContact CD2-CZ2 3.48Å; H93-W97 VanDerWaalsContact CD2-CZ2 3.48Å; H93-W97 WeakPolarHBondContact CD2-CZ2 3.27Å; H93-W97 AromaticContact CG-CZ2 3.99Å; H93-W97 PolarHBondContact O-N 3.29Å; H93-W97 PolarHBondContact O-NE1 2.86Å; H93-W97 VanDerWaalsContact O-NE1 3.09Å; I95-W97 VanDerWaalsContact C-N 3.34Å; I95-W97 PolarHBondContact O-N 3.42Å
98H98.6Very high98.2Very high80 Ų8032.3 Ų32.337%0.3721%0.205SC..THydrogen-bonded Turntrans-79.3-25.6178.3-73.6-72.2000113.2P27 S94 I95 F96 L100 N204 D207P27-H98 WeakPolarHBondContact CG-ND1 3.47Å; S94-H98 PolarHBondContact O-CD2 2.89Å; I95-H98 PolarHBondContact O-N 3.22Å; I95-H98 VanDerWaalsContact O-N 3.12Å; F96-H98 VanDerWaalsContact C-N 3.26Å; F96-H98 PolarHBondContact O-N 3.34Å; H98-L100 PolarHBondContact O-N 2.95Å; H98-N204 WeakPolarHBondContact O-CB 3.48Å; H98-N204 PolarHBondContact O-ND2 2.99Å; H98-D207 VanDerWaalsContact O-CB 3.23Å; H98-D207 WeakPolarHBondContact O-CB 3.44Å
99N98.8Very high98.2Very high0 Ų037.7 Ų37.70%024%0.237CC..THydrogen-bonded Turntrans-69-7.1173.4-76.6173.3000113.4I95 F96 L174 L175 G176 N204 D207I95-N99 WeakPolarHBondContact CG2-OD1 3.41Å; I95-N99 PolarHBondContact O-N 3.1Å; F96-N99 WeakPolarHBondContact O-CB 3.05Å; F96-N99 PolarHBondContact O-N 3.2Å; N99-L174 PolarHBondContact ND2-O 3.39Å; N99-L174 PolarHBondContact OD1-O 2.78Å; N99-L175 HydrophobicContact CB-CD1 4.01Å; N99-L175 VanDerWaalsContact OD1-CA 3.27Å; N99-L175 WeakPolarHBondContact OD1-CA 3.46Å; N99-G176 PolarHBondContact OD1-N 3.5Å; N99-N204 PolarHBondContact O-N 3.38Å; N99-D207 PolarHBondContact ND2-OD2 3.35Å
100L98.8Very high98.2Very high2 Ų240 Ų401%0.0126%0.261CS..BIsolated β-bridgetrans-114151.7178.2-52.2176.9000111.6Y28 L33 I37 F96 H98 I199 I202 I203Y28-L100 HydrophobicContact CE1-CB 4.39Å; Y28-L100 WeakPolarHBondContact CE1-O 3.21Å; L33-L100 HydrophobicContact CD1-CB 3.8Å; L33-L100 HydrophobicContact CD1-CD1 3.65Å; L33-L100 HydrophobicContact CD1-CG 4.37Å; L33-L100 HydrophobicContact CD2-CB 4.24Å; I37-L100 HydrophobicContact CD1-CD1 3.9Å; F96-L100 HydrophobicContact CD1-CD1 4.46Å; F96-L100 HydrophobicContact CD2-CD1 4.41Å; F96-L100 HydrophobicContact CE1-CD1 3.93Å; F96-L100 HydrophobicContact CE2-CD1 3.89Å; F96-L100 HydrophobicContact CE2-CD2 4.23Å; F96-L100 HydrophobicContact CE2-CG 4.27Å; F96-L100 HydrophobicContact CZ-CD1 3.62Å; F96-L100 HydrophobicContact CZ-CG 4.49Å; F96-L100 WeakPolarHBondContact O-CG 3.27Å; F96-L100 PolarHBondContact O-N 3.08Å; H98-L100 PolarHBondContact O-N 2.95Å; L100-I199 HydrophobicContact CD2-CD1 4.18Å; L100-I199 HydrophobicContact CD2-CG1 4.04Å; L100-I202 CarbonylContact C-O 3.6Å; L100-I202 VanDerWaalsContact CA-O 3.28Å; L100-I202 WeakPolarHBondContact CA-O 3.47Å; L100-I202 HydrophobicContact CD1-CD1 4.39Å; L100-I202 HydrophobicContact CD2-CD1 4.03Å; L100-I202 HydrophobicContact CD2-CG1 4.15Å; L100-I203 HydrophobicContact CD2-CD1 3.97Å
101S98.4Very high98.1Very high24 Ų2441.5 Ų41.517%0.16828%0.275CS..  trans-159.1145.7177.61770000110.9L33 N103 G104 I202L33-S101 VanDerWaalsContact CD2-C 3.45Å; S101-N103 PolarHBondContact O-N 3.32Å; S101-N103 PolarHBondContact OG-N 2.96Å; S101-N103 VanDerWaalsContact OG-N 3.17Å; S101-G104 WeakPolarHBondContact O-CA 3.11Å; S101-G104 PolarHBondContact O-N 3.3Å; S101-I202 PolarHBondContact N-O 2.94Å; S101-I202 WeakPolarHBondContact O-CB 3.32Å
102S96.9Very high98.1Very high71 Ų7137.8 Ų37.850%0.49726%0.256SS..THydrogen-bonded Turntrans-65.4-25.7171.159.50000113A32 G104A32-S102 WeakPolarHBondContact O-CB 3.33Å; S102-G104 VanDerWaalsContact C-N 3.31Å
103N95.3Very high98.1Very high152 Ų15238.5 Ų38.581%0.81326%0.261SS*.THydrogen-bonded Turntrans-9719.1170.6-61.3-44.2000111.7S101S101-N103 PolarHBondContact O-N 3.32Å; S101-N103 PolarHBondContact OG-N 2.96Å; S101-N103 VanDerWaalsContact OG-N 3.17Å
104G97Very high98.1Very high23 Ų2343.1 Ų43.124%0.23729%0.286CS..  trans-73.9-167179.100000112.6S101 S102 D201 I203S101-G104 WeakPolarHBondContact O-CA 3.11Å; S101-G104 PolarHBondContact O-N 3.3Å; S102-G104 VanDerWaalsContact C-N 3.31Å; G104-D201 CarbonylContact C-O 3.32Å; G104-I203 CarbonylContact C-O 3.55Å; G104-I203 WeakPolarHBondContact CA-O 3.41Å
105G97.7Very high98.1Very high15 Ų1542.7 Ų42.716%0.15529%0.285CS..  trans85.8-166.8179.800000113.7W200 D201 I203 W205G105-W200 VanDerWaalsContact CA-O 3.31Å; G105-W200 WeakPolarHBondContact CA-O 3.36Å; G105-D201 WeakPolarHBondContact CA-O 3.23Å; G105-D201 PolarHBondContact N-O 2.95Å; G105-I203 PolarHBondContact N-O 3.06Å; G105-W205 PolarHBondContact O-NE1 3.29Å
106G97.5Very high98.1Very high60 Ų6042.1 Ų42.162%0.61928%0.281SS*.SBendtrans65.6-148.2-171.800000112.7W205G106-W205 PolarHBondContact O-NE1 3.03Å
107V98.2Very high98.1Very high88 Ų8845.3 Ų45.353%0.53330%0.299SS..  trans-121.4149-176.1-55.60000110.6F123V107-F123 HydrophobicContact CB-CD1 4.24Å; V107-F123 HydrophobicContact CB-CE1 4.37Å; V107-F123 HydrophobicContact CB-CG 4.34Å; V107-F123 HydrophobicContact CG1-CD1 3.54Å; V107-F123 HydrophobicContact CG1-CE1 3.67Å; V107-F123 HydrophobicContact CG1-CG 4.1Å; V107-F123 HydrophobicContact CG1-CZ 4.32Å
108P98.2Very high98.1Very high9 Ų951.3 Ų51.36%0.05833%0.331CS..  trans-65161.2173.126.4-30.5000110.7L112 A113 I116 F123 W205P108-L112 HydrophobicContact CB-CD2 3.82Å; P108-L112 HydrophobicContact CB-CG 4.04Å; P108-A113 WeakPolarHBondContact O-CB 3.36Å; P108-I116 HydrophobicContact CB-CD1 4.48Å; P108-I116 HydrophobicContact CG-CD1 3.6Å; P108-F123 HydrophobicContact CG-CD2 3.91Å; P108-F123 HydrophobicContact CG-CE2 4.05Å; P108-W205 HydrophobicContact CB-CB 4.26Å; P108-W205 HydrophobicContact CB-CD2 3.79Å; P108-W205 HydrophobicContact CB-CE3 3.68Å; P108-W205 HydrophobicContact CB-CG 4.03Å; P108-W205 HydrophobicContact CB-CZ3 4.4Å; P108-W205 HydrophobicContact CG-CD2 4.06Å; P108-W205 HydrophobicContact CG-CE3 3.92Å; P108-W205 HydrophobicContact CG-CZ3 4.2Å
109T97.7Very high98.1Very high114 Ų11450.3 Ų50.370%0.69933%0.326SS*.  trans-126.9175.3175.860.50000110.9A113T109-A113 PolarHBondContact O-N 2.83Å
110G98Very high98.1Very high49 Ų4951.1 Ų51.151%0.50533%0.33SS..Hα-helixtrans63.4-146.1173.300000114.2L112 A113 N114G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.91Å; G110-A113 PolarHBondContact O-N 3.43Å; G110-A113 VanDerWaalsContact O-N 3.16Å; G110-N114 PolarHBondContact O-N 2.7Å; G110-N114 VanDerWaalsContact O-N 3.15Å
111S97.9Very high98.1Very high58 Ų5853.8 Ų53.841%0.40636%0.358SS..Hα-helixtrans-60.4-32.7-174.6-60.60000113.7A115S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 3.19Å
112L98.6Very high98.1Very high3 Ų354.2 Ų54.22%0.01636%0.361CS..Hα-helixtrans-67.5-44177.2176.962.2000111.2P108 G110 N114 A115 I116 L154 W205 V208 A209 F212P108-L112 HydrophobicContact CB-CD2 3.82Å; P108-L112 HydrophobicContact CB-CG 4.04Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.91Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.37Å; L112-A115 PolarHBondContact O-N 2.8Å; L112-I116 HydrophobicContact CD1-CD1 4Å; L112-I116 HydrophobicContact CD1-CG1 4.3Å; L112-I116 HydrophobicContact CG-CD1 3.94Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 2.84Å; L112-L154 HydrophobicContact CD1-CD1 4.41Å; L112-W205 HydrophobicContact CD2-CE3 4.01Å; L112-W205 HydrophobicContact CD2-CZ3 4.46Å; L112-V208 HydrophobicContact CD2-CB 4Å; L112-V208 HydrophobicContact CD2-CG1 3.63Å; L112-A209 HydrophobicContact CB-CB 4.31Å; L112-A209 HydrophobicContact CD2-CB 4.08Å; L112-F212 HydrophobicContact CB-CD1 4.11Å; L112-F212 HydrophobicContact CD1-CB 4.18Å; L112-F212 HydrophobicContact CD1-CD1 4.26Å; L112-F212 HydrophobicContact CD1-CD2 4.47Å; L112-F212 HydrophobicContact CD1-CG 4.06Å
113A98.7Very high98.1Very high15 Ų1552 Ų5212%0.12434%0.343CS..Hα-helixtrans-61-43.9177.200000111.9P108 T109 G110 I116 N117P108-A113 WeakPolarHBondContact O-CB 3.36Å; T109-A113 PolarHBondContact O-N 2.83Å; G110-A113 PolarHBondContact O-N 3.43Å; G110-A113 VanDerWaalsContact O-N 3.16Å; A113-I116 PolarHBondContact O-N 3.02Å; A113-N117 VanDerWaalsContact O-CG 3.31Å; A113-N117 PolarHBondContact O-N 2.63Å; A113-N117 PolarHBondContact O-ND2 2.89Å
114N98.5Very high98.3Very high98 Ų9850.3 Ų50.352%0.52433%0.333SS..Hα-helixtrans-60.9-48.2176.4-66.9-8.9000111.1G110 L112 I116 N117 D118G110-N114 PolarHBondContact O-N 2.7Å; G110-N114 VanDerWaalsContact O-N 3.15Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-N114 PolarHBondContact O-N 3.37Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3Å; N114-N117 PolarHBondContact O-N 2.77Å; N114-N117 VanDerWaalsContact O-N 3.13Å; N114-D118 WeakPolarHBondContact O-CB 3.07Å; N114-D118 PolarHBondContact O-N 3.44Å
115A98.6Very high98.4Very high20 Ų2053.1 Ų53.117%0.16534%0.343CS..Hα-helixtrans-62.1-35.6178.400000112.9S111 L112 E119 L154 F212S111-A115 WeakPolarHBondContact O-CB 3.32Å; S111-A115 PolarHBondContact O-N 3.19Å; L112-A115 PolarHBondContact O-N 2.8Å; A115-E119 WeakPolarHBondContact O-CB 3.39Å; A115-E119 PolarHBondContact O-N 3.49Å; A115-E119 VanDerWaalsContact O-N 3.1Å; A115-L154 HydrophobicContact CB-CD1 3.81Å; A115-L154 HydrophobicContact CB-CG 4.19Å; A115-F212 HydrophobicContact CB-CE1 4.12Å; A115-F212 HydrophobicContact CB-CE2 4.24Å; A115-F212 HydrophobicContact CB-CZ 3.55Å
116I98.9Very high98.4Very high0 Ų052.4 Ų52.40%034%0.336CS..Hα-helixtrans-65.7-45.5173.7-75.3168.4000110.8P108 L112 A113 N114 E119 F120 F123 F126 L145 L154P108-I116 HydrophobicContact CB-CD1 4.48Å; P108-I116 HydrophobicContact CG-CD1 3.6Å; L112-I116 HydrophobicContact CD1-CD1 4Å; L112-I116 HydrophobicContact CD1-CG1 4.3Å; L112-I116 HydrophobicContact CG-CD1 3.94Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 2.84Å; A113-I116 PolarHBondContact O-N 3.02Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 3Å; I116-E119 PolarHBondContact O-N 3Å; I116-F120 HydrophobicContact CG2-CD2 4.2Å; I116-F120 WeakPolarHBondContact O-CB 3.15Å; I116-F120 WeakPolarHBondContact O-CD2 3.32Å; I116-F120 PolarHBondContact O-N 3.42Å; I116-F123 HydrophobicContact CG2-CD2 4.44Å; I116-F126 HydrophobicContact CD1-CD1 4.18Å; I116-F126 HydrophobicContact CD1-CE1 4.18Å; I116-F126 HydrophobicContact CG2-CB 3.7Å; I116-F126 HydrophobicContact CG2-CD1 3.94Å; I116-F126 HydrophobicContact CG2-CG 3.93Å; I116-L145 HydrophobicContact CD1-CD2 4.47Å; I116-L154 HydrophobicContact CB-CD1 4.36Å; I116-L154 HydrophobicContact CG1-CD1 3.53Å
117N98.7Very high98.5Very high68 Ų6852.7 Ų52.736%0.36432%0.32SS..Hα-helixtrans-66.4-39.5178.9-69.1-26.2000111.7A113 N114 E119 G121 S122 F123A113-N117 VanDerWaalsContact O-CG 3.31Å; A113-N117 PolarHBondContact O-N 2.63Å; A113-N117 PolarHBondContact O-ND2 2.89Å; N114-N117 PolarHBondContact O-N 2.77Å; N114-N117 VanDerWaalsContact O-N 3.13Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.93Å; N117-G121 CarbonylContact O-C 3.52Å; N117-G121 WeakPolarHBondContact O-CA 3.36Å; N117-G121 PolarHBondContact O-N 3.4Å; N117-S122 WeakPolarHBondContact OD1-CA 3.41Å; N117-F123 PolarHBondContact OD1-N 3.36Å
118D98.3Very high98.5Very high128 Ų12851.8 Ų51.868%0.68432%0.317SS*.Hα-helixtrans-64.8-37.6177.4-68.3-18.9000112.2N114N114-D118 WeakPolarHBondContact O-CB 3.07Å; N114-D118 PolarHBondContact O-N 3.44Å
119E98.6Very high98.6Very high59 Ų5956.7 Ų56.728%0.27634%0.338SS..Hα-helixtrans-83.7-42.1-178.1-172.962.9-145.700113.1A115 I116 N117 R153 L154A115-E119 WeakPolarHBondContact O-CB 3.39Å; A115-E119 PolarHBondContact O-N 3.49Å; A115-E119 VanDerWaalsContact O-N 3.1Å; I116-E119 PolarHBondContact O-N 3Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 2.93Å; E119-R153 IonicContact OE1-NH2 3.35Å; E119-R153 IonicContact OE2-CZ 2.98Å; E119-R153 IonicContact OE2-NE 2.63Å; E119-R153 PolarHBondContact OE2-NE 3.17Å; E119-R153 IonicContact OE2-NH2 2.65Å; E119-R153 PolarHBondContact OE2-NH2 3.38Å; E119-L154 HydrophobicContact CB-CB 4.25Å; E119-L154 VanDerWaalsContact CD-O 3.26Å; E119-L154 HydrophobicContact CG-CB 4.15Å; E119-L154 VanDerWaalsContact CG-O 3.3Å; E119-L154 WeakPolarHBondContact CG-O 3.29Å
120F98.6Very high98.6Very high17 Ų1751.3 Ų51.38%0.07531%0.305CS..Hα-helixtrans-112.8-2.9-168.7-54.1-72.3000113.4I116 S122 N125 F126 K129 L145 L154 I156I116-F120 HydrophobicContact CG2-CD2 4.2Å; I116-F120 WeakPolarHBondContact O-CB 3.15Å; I116-F120 WeakPolarHBondContact O-CD2 3.32Å; I116-F120 PolarHBondContact O-N 3.42Å; F120-S122 PolarHBondContact O-N 3.49Å; F120-S122 VanDerWaalsContact O-N 3.16Å; F120-N125 WeakPolarHBondContact O-CB 3.24Å; F120-N125 PolarHBondContact O-ND2 3.49Å; F120-F126 HydrophobicContact CB-CB 3.75Å; F120-F126 HydrophobicContact CD2-CB 3.67Å; F120-F126 AromaticContact CD2-CD2 3.83Å; F120-F126 HydrophobicContact CD2-CD2 3.83Å; F120-F126 HydrophobicContact CD2-CG 4.01Å; F120-F126 HydrophobicContact CE2-CB 4.44Å; F120-F126 AromaticContact CE2-CD2 3.72Å; F120-F126 HydrophobicContact CE2-CD2 3.72Å; F120-F126 HydrophobicContact CE2-CE2 4.46Å; F120-F126 HydrophobicContact CE2-CG 4.33Å; F120-F126 HydrophobicContact CG-CB 3.76Å; F120-F126 HydrophobicContact CG-CD2 4.33Å; F120-F126 HydrophobicContact CG-CG 4.47Å; F120-F126 HydrophobicContact CZ-CD2 4.14Å; F120-K129 HydrophobicContact CD1-CD 4.17Å; F120-L145 HydrophobicContact CE2-CD1 3.99Å; F120-L145 HydrophobicContact CZ-CD1 4.12Å; F120-L154 HydrophobicContact CE2-CB 3.93Å; F120-L154 HydrophobicContact CE2-CD1 4.33Å; F120-L154 HydrophobicContact CZ-CB 4.26Å; F120-I156 HydrophobicContact CD1-CD1 4.26Å; F120-I156 HydrophobicContact CE1-CD1 3.64Å; F120-I156 HydrophobicContact CE1-CG1 3.9Å; F120-I156 HydrophobicContact CZ-CD1 4.06Å; F120-I156 HydrophobicContact CZ-CG1 3.9Å
121G98.6Very high98.7Very high58 Ų5849.7 Ų49.760%0.59829%0.286SS*.SBendtrans81.8-34.8-177.700000113.8N117N117-G121 CarbonylContact O-C 3.52Å; N117-G121 WeakPolarHBondContact O-CA 3.36Å; N117-G121 PolarHBondContact O-N 3.4Å
122S98.6Very high98.7Very high34 Ų3451.2 Ų51.224%0.23829%0.293CS..SBendtrans-158.1161.317469.80000111.2N117 F120 D124 N125 F126N117-S122 WeakPolarHBondContact OD1-CA 3.41Å; F120-S122 PolarHBondContact O-N 3.49Å; F120-S122 VanDerWaalsContact O-N 3.16Å; S122-D124 VanDerWaalsContact C-N 3.29Å; S122-D124 PolarHBondContact O-N 3.39Å; S122-N125 PolarHBondContact O-N 2.99Å; S122-N125 WeakPolarHBondContact OG-CB 3.48Å; S122-N125 VanDerWaalsContact OG-CG 3.3Å; S122-N125 PolarHBondContact OG-N 3.07Å; S122-N125 VanDerWaalsContact OG-N 3.08Å; S122-N125 PolarHBondContact OG-ND2 2.93Å; S122-F126 PolarHBondContact O-N 3.15Å
123F98.7Very high98.7Very high25 Ų2552.4 Ų52.411%0.1130%0.303CS..Hα-helixtrans-57.4-41.1169.8177.8-100.9000112.6V107 P108 I116 N117 N125 F126 K127 W200 W205V107-F123 HydrophobicContact CB-CD1 4.24Å; V107-F123 HydrophobicContact CB-CE1 4.37Å; V107-F123 HydrophobicContact CB-CG 4.34Å; V107-F123 HydrophobicContact CG1-CD1 3.54Å; V107-F123 HydrophobicContact CG1-CE1 3.67Å; V107-F123 HydrophobicContact CG1-CG 4.1Å; V107-F123 HydrophobicContact CG1-CZ 4.32Å; P108-F123 HydrophobicContact CG-CD2 3.91Å; P108-F123 HydrophobicContact CG-CE2 4.05Å; I116-F123 HydrophobicContact CG2-CD2 4.44Å; N117-F123 PolarHBondContact OD1-N 3.36Å; F123-N125 PolarHBondContact O-N 3.49Å; F123-F126 AromaticContact CD2-CD1 3.87Å; F123-F126 HydrophobicContact CD2-CD1 3.87Å; F123-F126 HydrophobicContact CD2-CE1 4.4Å; F123-F126 AromaticContact CE2-CD1 3.93Å; F123-F126 HydrophobicContact CE2-CD1 3.93Å; F123-F126 HydrophobicContact CE2-CE1 4.05Å; F123-F126 WeakPolarHBondContact O-CB 3.32Å; F123-F126 PolarHBondContact O-N 2.98Å; F123-K127 HydrophobicContact CE1-CB 4.41Å; F123-K127 HydrophobicContact CE1-CD 4.2Å; F123-K127 WeakPolarHBondContact O-CB 3.37Å; F123-K127 PolarHBondContact O-N 2.82Å; F123-W200 HydrophobicContact CE2-CZ3 4.47Å; F123-W200 HydrophobicContact CZ-CE3 4.34Å; F123-W200 HydrophobicContact CZ-CZ3 4.23Å; F123-W205 AromaticContact CE2-CH2 3.77Å; F123-W205 HydrophobicContact CE2-CH2 3.77Å; F123-W205 AromaticContact CE2-CZ2 3.42Å; F123-W205 HydrophobicContact CE2-CZ2 3.42Å; F123-W205 VanDerWaalsContact CE2-CZ2 3.42Å; F123-W205 HydrophobicContact CZ-CH2 4.35Å; F123-W205 AromaticContact CZ-CZ2 3.62Å; F123-W205 HydrophobicContact CZ-CZ2 3.62Å
124D98.7Very high98.7Very high115 Ų11551.7 Ų51.762%0.61530%0.297SS*.Hα-helixtrans-64.3-40.2179.8-68.3-26.6000112.1S122 K127 S128S122-D124 VanDerWaalsContact C-N 3.29Å; S122-D124 PolarHBondContact O-N 3.39Å; D124-K127 PolarHBondContact O-N 3.33Å; D124-S128 VanDerWaalsContact O-CB 3.29Å; D124-S128 WeakPolarHBondContact O-CB 3.48Å; D124-S128 PolarHBondContact O-N 3.31Å
125N98.8Very high98.7Very high83 Ų8350 Ų5044%0.44429%0.287SS..Hα-helixtrans-64.5-41.7174.5-76.2-14000111.5F120 S122 F123 K129F120-N125 WeakPolarHBondContact O-CB 3.24Å; F120-N125 PolarHBondContact O-ND2 3.49Å; S122-N125 PolarHBondContact O-N 2.99Å; S122-N125 WeakPolarHBondContact OG-CB 3.48Å; S122-N125 VanDerWaalsContact OG-CG 3.3Å; S122-N125 PolarHBondContact OG-N 3.07Å; S122-N125 VanDerWaalsContact OG-N 3.08Å; S122-N125 PolarHBondContact OG-ND2 2.93Å; F123-N125 PolarHBondContact O-N 3.49Å; N125-K129 WeakPolarHBondContact O-CB 3.31Å; N125-K129 VanDerWaalsContact O-CG 3.31Å; N125-K129 WeakPolarHBondContact O-CG 3.41Å; N125-K129 PolarHBondContact O-N 3.14Å
126F98.8Very high98.7Very high0 Ų052.4 Ų52.40%031%0.307CS..Hα-helixtrans-60-52.3173.6158.2-113.3000111.6I116 F120 S122 F123 S128 K129 L130 L145 I156 W200 W205I116-F126 HydrophobicContact CD1-CD1 4.18Å; I116-F126 HydrophobicContact CD1-CE1 4.18Å; I116-F126 HydrophobicContact CG2-CB 3.7Å; I116-F126 HydrophobicContact CG2-CD1 3.94Å; I116-F126 HydrophobicContact CG2-CG 3.93Å; F120-F126 HydrophobicContact CB-CB 3.75Å; F120-F126 HydrophobicContact CD2-CB 3.67Å; F120-F126 AromaticContact CD2-CD2 3.83Å; F120-F126 HydrophobicContact CD2-CD2 3.83Å; F120-F126 HydrophobicContact CD2-CG 4.01Å; F120-F126 HydrophobicContact CE2-CB 4.44Å; F120-F126 AromaticContact CE2-CD2 3.72Å; F120-F126 HydrophobicContact CE2-CD2 3.72Å; F120-F126 HydrophobicContact CE2-CE2 4.46Å; F120-F126 HydrophobicContact CE2-CG 4.33Å; F120-F126 HydrophobicContact CG-CB 3.76Å; F120-F126 HydrophobicContact CG-CD2 4.33Å; F120-F126 HydrophobicContact CG-CG 4.47Å; F120-F126 HydrophobicContact CZ-CD2 4.14Å; S122-F126 PolarHBondContact O-N 3.15Å; F123-F126 AromaticContact CD2-CD1 3.87Å; F123-F126 HydrophobicContact CD2-CD1 3.87Å; F123-F126 HydrophobicContact CD2-CE1 4.4Å; F123-F126 AromaticContact CE2-CD1 3.93Å; F123-F126 HydrophobicContact CE2-CD1 3.93Å; F123-F126 HydrophobicContact CE2-CE1 4.05Å; F123-F126 WeakPolarHBondContact O-CB 3.32Å; F123-F126 PolarHBondContact O-N 2.98Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 3.43Å; F126-K129 PolarHBondContact O-N 3.01Å; F126-L130 HydrophobicContact CD2-CB 4.44Å; F126-L130 HydrophobicContact CE2-CB 3.95Å; F126-L130 HydrophobicContact CE2-CD2 3.81Å; F126-L130 HydrophobicContact CE2-CG 4.47Å; F126-L130 HydrophobicContact CZ-CB 4.45Å; F126-L130 HydrophobicContact CZ-CD2 3.7Å; F126-L130 WeakPolarHBondContact O-CB 3.29Å; F126-L130 PolarHBondContact O-N 2.82Å; F126-L145 HydrophobicContact CD2-CD1 4.37Å; F126-L145 HydrophobicContact CE2-CB 4.1Å; F126-L145 HydrophobicContact CE2-CD1 3.74Å; F126-L145 HydrophobicContact CE2-CD2 4.05Å; F126-L145 HydrophobicContact CE2-CG 4.17Å; F126-L145 HydrophobicContact CZ-CB 4.19Å; F126-L145 HydrophobicContact CZ-CD1 4.36Å; F126-L145 HydrophobicContact CZ-CD2 3.8Å; F126-L145 HydrophobicContact CZ-CG 4.33Å; F126-I156 HydrophobicContact CD2-CD1 4.15Å; F126-I156 HydrophobicContact CD2-CG1 4.46Å; F126-I156 HydrophobicContact CE2-CD1 4.47Å; F126-I156 HydrophobicContact CE2-CG1 4.4Å; F126-W200 AromaticContact CE1-CH2 3.81Å; F126-W200 HydrophobicContact CE1-CH2 3.81Å; F126-W200 AromaticContact CE1-CZ3 3.91Å; F126-W200 HydrophobicContact CE1-CZ3 3.91Å; F126-W200 AromaticContact CZ-CH2 3.96Å; F126-W200 HydrophobicContact CZ-CH2 3.96Å; F126-W200 HydrophobicContact CZ-CZ3 4.38Å; F126-W205 AromaticContact CE1-CH2 3.84Å; F126-W205 HydrophobicContact CE1-CH2 3.84Å; F126-W205 HydrophobicContact CE1-CZ3 4.45Å; F126-W205 HydrophobicContact CZ-CH2 4.48Å
127K98.8Very high98.7Very high65 Ų6553 Ų5328%0.28331%0.311SS..Hα-helixtrans-55.6-44.9178.2171.6166178.9171.90111.3F123 D124 S131 W200F123-K127 HydrophobicContact CE1-CB 4.41Å; F123-K127 HydrophobicContact CE1-CD 4.2Å; F123-K127 WeakPolarHBondContact O-CB 3.37Å; F123-K127 PolarHBondContact O-N 2.82Å; D124-K127 PolarHBondContact O-N 3.33Å; K127-S131 WeakPolarHBondContact O-CB 3.4Å; K127-S131 PolarHBondContact O-N 3.5Å; K127-S131 PolarHBondContact O-OG 2.8Å; K127-W200 HydrophobicContact CB-CH2 4.03Å; K127-W200 HydrophobicContact CB-CZ2 4.14Å; K127-W200 HydrophobicContact CB-CZ3 4.27Å; K127-W200 HydrophobicContact CD-CD2 3.82Å; K127-W200 HydrophobicContact CD-CE3 4.11Å; K127-W200 HydrophobicContact CD-CG 3.98Å; K127-W200 VanDerWaalsContact CE-CD1 3.48Å; K127-W200 HydrophobicContact CG-CD2 3.83Å; K127-W200 HydrophobicContact CG-CE3 4.18Å; K127-W200 HydrophobicContact CG-CG 4.31Å; K127-W200 HydrophobicContact CG-CH2 4.12Å; K127-W200 HydrophobicContact CG-CZ2 3.8Å; K127-W200 HydrophobicContact CG-CZ3 4.3Å
128S98.8Very high98.7Very high69 Ų6958.7 Ų58.748%0.48334%0.336SS..Hα-helixtrans-62.4-49.6177179.60000112.4D124 F126 S131 T132D124-S128 VanDerWaalsContact O-CB 3.29Å; D124-S128 WeakPolarHBondContact O-CB 3.48Å; D124-S128 PolarHBondContact O-N 3.31Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 3.43Å; S128-S131 PolarHBondContact O-N 3.13Å; S128-T132 WeakPolarHBondContact O-CB 3.42Å; S128-T132 PolarHBondContact O-N 2.95Å; S128-T132 PolarHBondContact O-OG1 2.88Å
129K98.9Very high98.6Very high113 Ų11355.1 Ų55.149%0.49133%0.329SS..Hα-helixtrans-63.7-46.5179.4-74.3177.1177.1-178.10112.2F120 N125 F126 T132 A133 I156F120-K129 HydrophobicContact CD1-CD 4.17Å; N125-K129 WeakPolarHBondContact O-CB 3.31Å; N125-K129 VanDerWaalsContact O-CG 3.31Å; N125-K129 WeakPolarHBondContact O-CG 3.41Å; N125-K129 PolarHBondContact O-N 3.14Å; F126-K129 PolarHBondContact O-N 3.01Å; K129-T132 PolarHBondContact O-N 3.39Å; K129-A133 WeakPolarHBondContact O-CB 3.21Å; K129-A133 PolarHBondContact O-N 3.43Å; K129-I156 HydrophobicContact CB-CD1 3.49Å; K129-I156 VanDerWaalsContact CB-CD1 3.49Å
130L98.9Very high98.6Very high0 Ų053.8 Ų53.80%033%0.326CS..Hα-helixtrans-64.9-45.5179.9179.258.5000110.3F126 T132 A133 T134 L145 I156 L175 I177 W200F126-L130 HydrophobicContact CD2-CB 4.44Å; F126-L130 HydrophobicContact CE2-CB 3.95Å; F126-L130 HydrophobicContact CE2-CD2 3.81Å; F126-L130 HydrophobicContact CE2-CG 4.47Å; F126-L130 HydrophobicContact CZ-CB 4.45Å; F126-L130 HydrophobicContact CZ-CD2 3.7Å; F126-L130 WeakPolarHBondContact O-CB 3.29Å; F126-L130 PolarHBondContact O-N 2.82Å; L130-T132 PolarHBondContact O-N 3.3Å; L130-A133 PolarHBondContact O-N 3.47Å; L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.5Å; L130-T134 PolarHBondContact O-OG1 3.34Å; L130-L145 HydrophobicContact CD2-CB 4.5Å; L130-I156 HydrophobicContact CB-CD1 3.97Å; L130-I156 HydrophobicContact CB-CG1 4.26Å; L130-I156 HydrophobicContact CD1-CG1 4.35Å; L130-I156 HydrophobicContact CD1-CG2 3.94Å; L130-L175 HydrophobicContact CD2-CD2 4.13Å; L130-I177 HydrophobicContact CD2-CD1 4.21Å; L130-I177 HydrophobicContact CG-CD1 4.38Å; L130-W200 HydrophobicContact CB-CH2 4.33Å; L130-W200 HydrophobicContact CB-CZ2 4.25Å; L130-W200 HydrophobicContact CD2-CH2 3.81Å; L130-W200 HydrophobicContact CD2-CZ2 4.11Å; L130-W200 HydrophobicContact CG-CH2 4.43Å; L130-W200 HydrophobicContact CG-CZ2 4.32Å
131S98.9Very high98.6Very high16 Ų1653 Ų5311%0.11232%0.323CS..Hα-helixtrans-59.8-45.8177.6-57.90000111.5K127 S128 A133 T134 I135 W200K127-S131 WeakPolarHBondContact O-CB 3.4Å; K127-S131 PolarHBondContact O-N 3.5Å; K127-S131 PolarHBondContact O-OG 2.8Å; S128-S131 PolarHBondContact O-N 3.13Å; S131-A133 PolarHBondContact O-N 3.18Å; S131-T134 PolarHBondContact O-N 3.49Å; S131-I135 WeakPolarHBondContact O-CB 3.33Å; S131-I135 WeakPolarHBondContact O-CD1 3.33Å; S131-I135 VanDerWaalsContact O-CG1 3.22Å; S131-I135 WeakPolarHBondContact O-CG1 3.34Å; S131-I135 PolarHBondContact O-N 2.83Å; S131-W200 PolarHBondContact OG-NE1 3.2Å
132T98.9Very high98.6Very high89 Ų8950.2 Ų50.255%0.54629%0.294SS..Hα-helixtrans-60.2-48.5179-59.20000111.4S128 K129 L130 T134 A136S128-T132 WeakPolarHBondContact O-CB 3.42Å; S128-T132 PolarHBondContact O-N 2.95Å; S128-T132 PolarHBondContact O-OG1 2.88Å; K129-T132 PolarHBondContact O-N 3.39Å; L130-T132 PolarHBondContact O-N 3.3Å; T132-T134 VanDerWaalsContact C-N 3.34Å; T132-T134 PolarHBondContact O-N 3.36Å; T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.24Å; T132-A136 PolarHBondContact O-N 2.7Å; T132-A136 VanDerWaalsContact O-N 3.13Å
133A98.8Very high98.6Very high29 Ų2948.6 Ų48.624%0.2428%0.283CS..Hα-helixtrans-62.9-41.8178.100000111.9K129 L130 S131 A136 V137 I156 T158K129-A133 WeakPolarHBondContact O-CB 3.21Å; K129-A133 PolarHBondContact O-N 3.43Å; L130-A133 PolarHBondContact O-N 3.47Å; S131-A133 PolarHBondContact O-N 3.18Å; A133-A136 PolarHBondContact O-N 3.31Å; A133-V137 PolarHBondContact O-N 3.26Å; A133-I156 HydrophobicContact CB-CG2 3.92Å; A133-T158 HydrophobicContact CB-CG2 3.99Å; A133-T158 WeakPolarHBondContact O-CG2 3.37Å
134T98.9Very high98.6Very high0 Ų047.4 Ų47.40%028%0.278CS..Hα-helixtrans-65.5-44.9-179.7-56.10000112L130 S131 T132 A136 V137 G143 I177 V179 V196L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.43Å; L130-T134 PolarHBondContact O-N 3.5Å; L130-T134 PolarHBondContact O-OG1 3.34Å; S131-T134 PolarHBondContact O-N 3.49Å; T132-T134 VanDerWaalsContact C-N 3.34Å; T132-T134 PolarHBondContact O-N 3.36Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3.33Å; T134-V137 WeakPolarHBondContact O-CG2 3.44Å; T134-V137 PolarHBondContact O-N 3.42Å; T134-G143 WeakPolarHBondContact OG1-CA 3.47Å; T134-I177 HydrophobicContact CG2-CB 3.93Å; T134-I177 HydrophobicContact CG2-CG2 3.73Å; T134-V179 HydrophobicContact CG2-CG1 3.45Å; T134-V179 VanDerWaalsContact CG2-CG1 3.45Å; T134-V179 HydrophobicContact CG2-CG2 4.4Å; T134-V196 HydrophobicContact CG2-CG1 4.38Å; T134-V196 HydrophobicContact CG2-CG2 4.04Å
135I98.7Very high98.6Very high61 Ų6141.9 Ų41.931%0.31325%0.248SC..Hα-helixtrans-62.3-40.7177.2-70.5163.5000110.6S131 V137 R192 P193 V196S131-I135 WeakPolarHBondContact O-CB 3.33Å; S131-I135 WeakPolarHBondContact O-CD1 3.33Å; S131-I135 VanDerWaalsContact O-CG1 3.22Å; S131-I135 WeakPolarHBondContact O-CG1 3.34Å; S131-I135 PolarHBondContact O-N 2.83Å; I135-V137 PolarHBondContact O-N 2.86Å; I135-R192 PolarHBondContact O-NH1 3.42Å; I135-P193 HydrophobicContact CD1-CB 4.01Å; I135-P193 HydrophobicContact CD1-CG 4.43Å; I135-P193 HydrophobicContact CG2-CG 4.03Å; I135-V196 HydrophobicContact CD1-CB 4.27Å; I135-V196 HydrophobicContact CD1-CG1 4.24Å; I135-V196 HydrophobicContact CG1-CB 3.94Å; I135-V196 HydrophobicContact CG1-CG1 4.03Å; I135-V196 HydrophobicContact CG1-CG2 3.92Å
136A98.5Very high98.6Very high71 Ų7138 Ų3859%0.58723%0.227SC*.THydrogen-bonded Turntrans-74.2-3.4-175.900000115T132 A133 T134 Q138T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.24Å; T132-A136 PolarHBondContact O-N 2.7Å; T132-A136 VanDerWaalsContact O-N 3.13Å; A133-A136 PolarHBondContact O-N 3.31Å; T134-A136 VanDerWaalsContact C-N 3.29Å; T134-A136 PolarHBondContact O-N 3.33Å; A136-Q138 PolarHBondContact O-N 2.86Å; A136-Q138 VanDerWaalsContact O-N 3.14Å
137V98.6Very high98.6Very high14 Ų1438.6 Ų38.69%0.08523%0.23CC..  trans-57.7118.1173.9173.60000109.7A133 T134 I135 G139 T158 V179 R192A133-V137 PolarHBondContact O-N 3.26Å; T134-V137 WeakPolarHBondContact O-CG2 3.44Å; T134-V137 PolarHBondContact O-N 3.42Å; I135-V137 PolarHBondContact O-N 2.86Å; V137-G139 PolarHBondContact O-N 2.83Å; V137-T158 HydrophobicContact CG2-CG2 3.7Å; V137-V179 HydrophobicContact CB-CG2 4Å; V137-V179 HydrophobicContact CG1-CG2 4.19Å; V137-V179 HydrophobicContact CG2-CG2 4.26Å; V137-R192 PolarHBondContact O-NH1 3.1Å
138Q97.3Very high98.6Very high186 Ų18636.6 Ų36.687%0.86922%0.222SC*.  trans-74.7124.9177.3-66.1-177.9-5.400110.3A136A136-Q138 PolarHBondContact O-N 2.86Å; A136-Q138 VanDerWaalsContact O-N 3.14Å
139G96.8Very high98.5Very high54 Ų5435.9 Ų35.956%0.55722%0.216SC*.SBendtrans70.8-134-176.800000112.1V137 R192V137-G139 PolarHBondContact O-N 2.83Å; G139-R192 PolarHBondContact O-NH2 2.74Å
140S98.3Very high98.4Very high30 Ų3037.5 Ų37.521%0.2123%0.23CC..SBendtrans-94.4144.2-177.3-63.80000111.6N161 W180S140-N161 PolarHBondContact O-N 3.4Å; S140-W180 VanDerWaalsContact CB-CD2 3.45Å; S140-W180 VanDerWaalsContact CB-CE2 3.44Å
141G98.6Very high98.3Very high0 Ų041.2 Ų41.20%025%0.253CS..EExtended strand (participates in β ladder)trans166.6-160.3178.900000114C159 N161 V179 W180G141-C159 CarbonylContact C-O 3.58Å; G141-C159 WeakPolarHBondContact CA-O 3.35Å; G141-N161 WeakPolarHBondContact CA-O 3.11Å; G141-V179 WeakPolarHBondContact O-CG2 3.22Å; G141-V179 PolarHBondContact O-N 3.38Å; G141-W180 PolarHBondContact O-N 3.11Å
142W98.9Very high98.2Very high0 Ų047.8 Ų47.80%028%0.28CS..EExtended strand (participates in β ladder)trans-139.4143.6-171.8-64.178000111.2N92 H93 F96 W144 T158 C159 N161 I177 D178 W180N92-W142 HydrophobicContact CB-CD2 4.16Å; N92-W142 HydrophobicContact CB-CE3 4.35Å; N92-W142 HydrophobicContact CB-CH2 3.77Å; N92-W142 HydrophobicContact CB-CZ2 3.53Å; N92-W142 HydrophobicContact CB-CZ3 4.17Å; N92-W142 PolarHBondContact ND2-NE1 3.35Å; H93-W142 AromaticContact CE1-CZ2 3.61Å; H93-W142 AromaticContact ND1-CZ2 3.85Å; F96-W142 HydrophobicContact CB-CH2 4.02Å; F96-W142 HydrophobicContact CB-CZ3 3.91Å; F96-W142 HydrophobicContact CD2-CZ3 4.1Å; F96-W142 HydrophobicContact CG-CH2 4.2Å; F96-W142 HydrophobicContact CG-CZ3 4.03Å; W142-W144 HydrophobicContact CB-CZ2 4.25Å; W142-W144 AromaticContact CD2-CZ2 3.92Å; W142-W144 HydrophobicContact CD2-CZ2 3.92Å; W142-W144 HydrophobicContact CE3-CH2 4.14Å; W142-W144 AromaticContact CE3-CZ2 3.61Å; W142-W144 HydrophobicContact CE3-CZ2 3.61Å; W142-W144 HydrophobicContact CG-CZ2 4.19Å; W142-W144 AromaticContact CG-NE1 3.86Å; W142-W144 HydrophobicContact CZ3-CH2 4.44Å; W142-W144 HydrophobicContact CZ3-CZ2 4.28Å; W142-T158 CarbonylContact O-C 3.55Å; W142-T158 VanDerWaalsContact O-CA 3.24Å; W142-T158 WeakPolarHBondContact O-CA 3.38Å; W142-C159 PolarHBondContact N-O 3.33Å; W142-C159 PolarHBondContact O-N 3.4Å; W142-N161 PolarHBondContact NE1-O 2.98Å; W142-I177 WeakPolarHBondContact CA-O 3.34Å; W142-D178 HydrophobicContact CD2-CB 4.25Å; W142-D178 HydrophobicContact CE3-CB 3.91Å; W142-D178 HydrophobicContact CH2-CB 3.51Å; W142-D178 HydrophobicContact CZ2-CB 3.87Å; W142-D178 HydrophobicContact CZ3-CB 3.54Å; W142-W180 AromaticContact NE1-CD1 3.88Å; W142-W180 AromaticContact NE1-NE1 3.83Å
143G98.9Very high98.2Very high0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-100.3139.6161.200000111T134 G176 I177T134-G143 WeakPolarHBondContact OG1-CA 3.47Å; G143-G176 CarbonylContact O-C 3.51Å; G143-G176 WeakPolarHBondContact O-CA 3.43Å; G143-I177 PolarHBondContact N-O 3.35Å; G143-I177 PolarHBondContact O-N 3.19Å
144W98.9Very high98.2Very high0 Ų048.2 Ų48.20%027%0.265CS..EExtended strand (participates in β ladder)trans-132.6138.9-174.4-68.899.5000113.1N92 I95 W142 I156 A157 L165 P173 L175N92-W144 HydrophobicContact CB-CH2 4.28Å; N92-W144 HydrophobicContact CB-CZ2 3.97Å; I95-W144 HydrophobicContact CD1-CH2 4.47Å; I95-W144 HydrophobicContact CG2-CH2 4.37Å; I95-W144 HydrophobicContact CG2-CZ3 4.04Å; W142-W144 HydrophobicContact CB-CZ2 4.25Å; W142-W144 AromaticContact CD2-CZ2 3.92Å; W142-W144 HydrophobicContact CD2-CZ2 3.92Å; W142-W144 HydrophobicContact CE3-CH2 4.14Å; W142-W144 AromaticContact CE3-CZ2 3.61Å; W142-W144 HydrophobicContact CE3-CZ2 3.61Å; W142-W144 HydrophobicContact CG-CZ2 4.19Å; W142-W144 AromaticContact CG-NE1 3.86Å; W142-W144 HydrophobicContact CZ3-CH2 4.44Å; W142-W144 HydrophobicContact CZ3-CZ2 4.28Å; W144-I156 WeakPolarHBondContact O-CA 3.38Å; W144-A157 PolarHBondContact N-O 3.44Å; W144-A157 PolarHBondContact O-N 2.87Å; W144-L165 HydrophobicContact CB-CD1 3.89Å; W144-L165 HydrophobicContact CB-CD2 3.76Å; W144-L165 HydrophobicContact CB-CG 4.33Å; W144-L165 HydrophobicContact CD2-CB 4.1Å; W144-L165 HydrophobicContact CD2-CD2 4.15Å; W144-L165 HydrophobicContact CE3-CD2 4.3Å; W144-L165 HydrophobicContact CG-CB 4.12Å; W144-L165 HydrophobicContact CG-CD1 3.92Å; W144-L165 HydrophobicContact CG-CD2 3.92Å; W144-L165 HydrophobicContact CG-CG 4.19Å; W144-P173 HydrophobicContact CE3-CB 3.83Å; W144-P173 HydrophobicContact CH2-CB 4.45Å; W144-P173 HydrophobicContact CZ3-CB 3.68Å; W144-L175 CarbonylContact C-O 3.48Å; W144-L175 VanDerWaalsContact CA-O 3.32Å; W144-L175 WeakPolarHBondContact CA-O 3.24Å; W144-L175 VanDerWaalsContact CE3-O 3.31Å
145L98.9Very high98.2Very high0 Ų051.5 Ų51.50%028%0.281CS..EExtended strand (participates in β ladder)trans-91.4119.3148.4178.665.2000108.1I116 F120 F126 L130 L154 L174 L175I116-L145 HydrophobicContact CD1-CD2 4.47Å; F120-L145 HydrophobicContact CE2-CD1 3.99Å; F120-L145 HydrophobicContact CZ-CD1 4.12Å; F126-L145 HydrophobicContact CD2-CD1 4.37Å; F126-L145 HydrophobicContact CE2-CB 4.1Å; F126-L145 HydrophobicContact CE2-CD1 3.74Å; F126-L145 HydrophobicContact CE2-CD2 4.05Å; F126-L145 HydrophobicContact CE2-CG 4.17Å; F126-L145 HydrophobicContact CZ-CB 4.19Å; F126-L145 HydrophobicContact CZ-CD1 4.36Å; F126-L145 HydrophobicContact CZ-CD2 3.8Å; F126-L145 HydrophobicContact CZ-CG 4.33Å; L130-L145 HydrophobicContact CD2-CB 4.5Å; L145-L154 HydrophobicContact CD1-CB 4.01Å; L145-L154 HydrophobicContact CD1-CD1 4.31Å; L145-L154 HydrophobicContact CD1-CD2 4.37Å; L145-L154 HydrophobicContact CD1-CG 4.46Å; L145-L174 HydrophobicContact CD2-CD1 4.3Å; L145-L174 HydrophobicContact CG-CB 4.43Å; L145-L174 HydrophobicContact CG-CD1 4.24Å; L145-L174 WeakPolarHBondContact O-CB 3.43Å; L145-L174 PolarHBondContact O-N 2.71Å; L145-L175 HydrophobicContact CB-CB 4.09Å; L145-L175 PolarHBondContact N-O 3.38Å; L145-L175 PolarHBondContact O-N 3.29Å
146G98.8Very high98.2Very high0 Ų050.8 Ų50.80%028%0.277CS..EExtended strand (participates in β ladder)trans-117158.2175.900000112.7L154 Q155 K172G146-L154 CarbonylContact O-C 3.48Å; G146-L154 WeakPolarHBondContact O-CA 3.24Å; G146-Q155 PolarHBondContact N-O 2.83Å; G146-Q155 PolarHBondContact O-N 3.03Å; G146-K172 CarbonylContact C-O 3.49Å; G146-K172 VanDerWaalsContact CA-O 3.22Å; G146-K172 WeakPolarHBondContact CA-O 3.07Å
147Y98.8Very high98.2Very high13 Ų1348.3 Ų48.35%0.05126%0.256CS..EExtended strand (participates in β ladder)trans-106.9129.2168.3172.9-100.1000110.3P149 K152 L154 L171 K172 F212 S215 R216Y147-P149 HydrophobicContact CE1-CB 4.32Å; Y147-P149 WeakPolarHBondContact O-CD 3.42Å; Y147-K152 VanDerWaalsContact CE2-C 3.47Å; Y147-K152 HydrophobicContact CE2-CB 4.33Å; Y147-K152 WeakPolarHBondContact OH-CA 3.17Å; Y147-K152 WeakPolarHBondContact OH-CB 3.35Å; Y147-L154 HydrophobicContact CD2-CD2 4.39Å; Y147-L171 WeakPolarHBondContact O-CA 3.39Å; Y147-K172 HydrophobicContact CD1-CG 4.4Å; Y147-K172 PolarHBondContact N-O 3.31Å; Y147-K172 PolarHBondContact O-N 3.46Å; Y147-F212 HydrophobicContact CD2-CD2 4.21Å; Y147-F212 AromaticContact CD2-CE2 3.75Å; Y147-F212 HydrophobicContact CD2-CE2 3.75Å; Y147-F212 HydrophobicContact CE2-CE2 4.1Å; Y147-S215 WeakPolarHBondContact CE1-O 3.32Å; Y147-R216 HydrophobicContact CE1-CG 4.27Å; Y147-R216 HydrophobicContact CE2-CG 3.99Å
148N98.4Very high98.2Very high24 Ų2451 Ų5113%0.12827%0.273CS..EExtended strand (participates in β ladder)trans-90.4112.2175.8-172.3-43.4000109.9N150 T151 K152 R153 Q155 L171N148-N150 VanDerWaalsContact C-N 3.25Å; N148-N150 PolarHBondContact O-N 2.65Å; N148-N150 WeakPolarHBondContact OD1-CB 3.39Å; N148-N150 PolarHBondContact OD1-N 3.43Å; N148-T151 VanDerWaalsContact CB-OG1 3.31Å; N148-T151 WeakPolarHBondContact CB-OG1 3.45Å; N148-T151 VanDerWaalsContact CG-OG1 3.29Å; N148-T151 PolarHBondContact OD1-N 3.33Å; N148-T151 VanDerWaalsContact OD1-N 3.15Å; N148-K152 VanDerWaalsContact O-CA 3.23Å; N148-K152 WeakPolarHBondContact O-CA 3.22Å; N148-K152 PolarHBondContact O-N 3.06Å; N148-R153 PolarHBondContact N-O 2.89Å; N148-Q155 HydrophobicContact CB-CG 4.39Å; N148-Q155 PolarHBondContact ND2-OE1 2.91Å; N148-L171 HydrophobicContact CB-CD2 3.64Å
149P96.9Very high98.3Very high53 Ų5342.4 Ų42.434%0.34423%0.233SC..THydrogen-bonded Turntrans-68.4-23.6-177.127.8-34.7000113.5Y147Y147-P149 HydrophobicContact CE1-CB 4.32Å; Y147-P149 WeakPolarHBondContact O-CD 3.42Å
150N96.7Very high98.3Very high147 Ų14742.2 Ų42.279%0.78623%0.227SC*.THydrogen-bonded Turntrans-78.8-45.7-178.7-61.5-37.8000111.5N148N148-N150 VanDerWaalsContact C-N 3.25Å; N148-N150 PolarHBondContact O-N 2.65Å; N148-N150 WeakPolarHBondContact OD1-CB 3.39Å; N148-N150 PolarHBondContact OD1-N 3.43Å
151T97.1Very high98.3Very high79 Ų7944.5 Ų44.549%0.48524%0.236SC..THydrogen-bonded Turntrans-88.6-16.5179.962.80000112.8N148 R153N148-T151 VanDerWaalsContact CB-OG1 3.31Å; N148-T151 WeakPolarHBondContact CB-OG1 3.45Å; N148-T151 VanDerWaalsContact CG-OG1 3.29Å; N148-T151 PolarHBondContact OD1-N 3.33Å; N148-T151 VanDerWaalsContact OD1-N 3.15Å; T151-R153 VanDerWaalsContact C-N 3.28Å; T151-R153 WeakPolarHBondContact O-CG 3.31Å
152K97.1Very high98.4Very high154 Ų15444.5 Ų44.567%0.6724%0.236SC*.THydrogen-bonded Turntrans60.535.3-172.6-52.1-177.2179.3-1790113.2Y147 N148Y147-K152 VanDerWaalsContact CE2-C 3.47Å; Y147-K152 HydrophobicContact CE2-CB 4.33Å; Y147-K152 WeakPolarHBondContact OH-CA 3.17Å; Y147-K152 WeakPolarHBondContact OH-CB 3.35Å; N148-K152 VanDerWaalsContact O-CA 3.23Å; N148-K152 WeakPolarHBondContact O-CA 3.22Å; N148-K152 PolarHBondContact O-N 3.06Å
153R97.9Very high98.3Very high123 Ų12345.7 Ų45.746%0.46424%0.243SC..EExtended strand (participates in β ladder)trans-123156.2-175.6-59-67.7-71.1-98.4-9.2111.4E119 N148 T151E119-R153 IonicContact OE1-NH2 3.35Å; E119-R153 IonicContact OE2-CZ 2.98Å; E119-R153 IonicContact OE2-NE 2.63Å; E119-R153 PolarHBondContact OE2-NE 3.17Å; E119-R153 IonicContact OE2-NH2 2.65Å; E119-R153 PolarHBondContact OE2-NH2 3.38Å; N148-R153 PolarHBondContact N-O 2.89Å; T151-R153 VanDerWaalsContact C-N 3.28Å; T151-R153 WeakPolarHBondContact O-CG 3.31Å
154L98.8Very high98.3Very high3 Ų346.5 Ų46.52%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-78.1148.3170.3-64.8-178.8000110L112 A115 I116 E119 F120 L145 G146 Y147 L174 F212L112-L154 HydrophobicContact CD1-CD1 4.41Å; A115-L154 HydrophobicContact CB-CD1 3.81Å; A115-L154 HydrophobicContact CB-CG 4.19Å; I116-L154 HydrophobicContact CB-CD1 4.36Å; I116-L154 HydrophobicContact CG1-CD1 3.53Å; E119-L154 HydrophobicContact CB-CB 4.25Å; E119-L154 VanDerWaalsContact CD-O 3.26Å; E119-L154 HydrophobicContact CG-CB 4.15Å; E119-L154 VanDerWaalsContact CG-O 3.3Å; E119-L154 WeakPolarHBondContact CG-O 3.29Å; F120-L154 HydrophobicContact CE2-CB 3.93Å; F120-L154 HydrophobicContact CE2-CD1 4.33Å; F120-L154 HydrophobicContact CZ-CB 4.26Å; L145-L154 HydrophobicContact CD1-CB 4.01Å; L145-L154 HydrophobicContact CD1-CD1 4.31Å; L145-L154 HydrophobicContact CD1-CD2 4.37Å; L145-L154 HydrophobicContact CD1-CG 4.46Å; G146-L154 CarbonylContact O-C 3.48Å; G146-L154 WeakPolarHBondContact O-CA 3.24Å; Y147-L154 HydrophobicContact CD2-CD2 4.39Å; L154-L174 HydrophobicContact CD2-CD1 3.51Å; L154-F212 HydrophobicContact CD2-CD2 3.97Å; L154-F212 HydrophobicContact CD2-CE2 3.79Å; L154-F212 HydrophobicContact CG-CE2 4.5Å
155Q98.7Very high98.3Very high70 Ų7046.6 Ų46.633%0.32725%0.248SC..EExtended strand (participates in β ladder)trans-142.7141.2176.8-64.1-170-61.400109.9G146 N148 L171G146-Q155 PolarHBondContact N-O 2.83Å; G146-Q155 PolarHBondContact O-N 3.03Å; N148-Q155 HydrophobicContact CB-CG 4.39Å; N148-Q155 PolarHBondContact ND2-OE1 2.91Å; Q155-L171 HydrophobicContact CB-CD1 3.97Å
156I98.9Very high98.3Very high45 Ų4550.8 Ų50.823%0.23127%0.268CS..EExtended strand (participates in β ladder)trans-88.4134.7166.3-70.3163.8000107.9F120 F126 K129 L130 A133 W144F120-I156 HydrophobicContact CD1-CD1 4.26Å; F120-I156 HydrophobicContact CE1-CD1 3.64Å; F120-I156 HydrophobicContact CE1-CG1 3.9Å; F120-I156 HydrophobicContact CZ-CD1 4.06Å; F120-I156 HydrophobicContact CZ-CG1 3.9Å; F126-I156 HydrophobicContact CD2-CD1 4.15Å; F126-I156 HydrophobicContact CD2-CG1 4.46Å; F126-I156 HydrophobicContact CE2-CD1 4.47Å; F126-I156 HydrophobicContact CE2-CG1 4.4Å; K129-I156 HydrophobicContact CB-CD1 3.49Å; K129-I156 VanDerWaalsContact CB-CD1 3.49Å; L130-I156 HydrophobicContact CB-CD1 3.97Å; L130-I156 HydrophobicContact CB-CG1 4.26Å; L130-I156 HydrophobicContact CD1-CG1 4.35Å; L130-I156 HydrophobicContact CD1-CG2 3.94Å; A133-I156 HydrophobicContact CB-CG2 3.92Å; W144-I156 WeakPolarHBondContact O-CA 3.38Å
157A98.7Very high98.2Very high19 Ų1953.9 Ų53.916%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-140.3160.8174.200000110.2W144 L165 L171W144-A157 PolarHBondContact N-O 3.44Å; W144-A157 PolarHBondContact O-N 2.87Å; A157-L165 HydrophobicContact CB-CD1 3.69Å; A157-L171 HydrophobicContact CB-CD1 3.99Å
158T98.8Very high98.1Very high70 Ų7055.8 Ų55.843%0.42931%0.313SS..EExtended strand (participates in β ladder)trans-123.6147.516955.80000109.5A133 V137 W142A133-T158 HydrophobicContact CB-CG2 3.99Å; A133-T158 WeakPolarHBondContact O-CG2 3.37Å; V137-T158 HydrophobicContact CG2-CG2 3.7Å; W142-T158 CarbonylContact O-C 3.55Å; W142-T158 VanDerWaalsContact O-CA 3.24Å; W142-T158 WeakPolarHBondContact O-CA 3.38Å
159C98.7Very high98.1Very high7 Ų757.8 Ų57.85%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-126.5131.8178.3-64.80000108.8G141 W142 D163G141-C159 CarbonylContact C-O 3.58Å; G141-C159 WeakPolarHBondContact CA-O 3.35Å; W142-C159 PolarHBondContact N-O 3.33Å; W142-C159 PolarHBondContact O-N 3.4Å; C159-D163 HydrophobicContact CB-CB 4.03Å; C159-D163 WeakPolarHBondContact CB-O 3.22Å
160A98.3Very high98.1Very high50 Ų5057.2 Ų57.241%0.41333%0.33SS..EExtended strand (participates in β ladder)trans-75.8151.2175.200000110.6Q162 D163A160-Q162 PolarHBondContact O-N 3.49Å; A160-D163 VanDerWaalsContact O-CB 3.23Å; A160-D163 WeakPolarHBondContact O-CB 3.44Å; A160-D163 PolarHBondContact O-N 2.96Å; A160-D163 VanDerWaalsContact O-N 3.08Å
161N98.3Very high98.2Very high77 Ų7750.6 Ų50.641%0.41230%0.295SS..THydrogen-bonded Turntrans51.9-127.7178.1-58.9-51.2000112.2F85 S140 G141 W142 W180F85-N161 HydrophobicContact CD2-CB 4.28Å; F85-N161 HydrophobicContact CE2-CB 4.24Å; S140-N161 PolarHBondContact O-N 3.4Å; G141-N161 WeakPolarHBondContact CA-O 3.11Å; W142-N161 PolarHBondContact NE1-O 2.98Å; N161-W180 VanDerWaalsContact C-NE1 3.34Å; N161-W180 HydrophobicContact CB-CZ2 3.99Å; N161-W180 PolarHBondContact O-NE1 2.86Å
162Q98.7Very high98.3Very high0 Ų049.9 Ų49.90%029%0.285CS..THydrogen-bonded Turntrans-104.420.3177.7-68.7-58.9-8.300112.3Y53 F85 G88 N92 H93 A160 W180Y53-Q162 HydrophobicContact CE1-CG 4.14Å; Y53-Q162 HydrophobicContact CE2-CG 4.48Å; Y53-Q162 PolarHBondContact OH-NE2 3.19Å; F85-Q162 HydrophobicContact CD2-CB 3.98Å; F85-Q162 HydrophobicContact CD2-CG 4.08Å; F85-Q162 HydrophobicContact CE2-CB 4.2Å; F85-Q162 HydrophobicContact CE2-CG 3.8Å; F85-Q162 HydrophobicContact CG-CB 4.44Å; F85-Q162 HydrophobicContact CZ-CG 4.09Å; F85-Q162 WeakPolarHBondContact O-CB 3.4Å; G88-Q162 CarbonylContact C-O 3.58Å; G88-Q162 WeakPolarHBondContact CA-O 3.31Å; N92-Q162 PolarHBondContact ND2-O 3.42Å; H93-Q162 PolarHBondContact CE1-NE2 2.93Å; A160-Q162 PolarHBondContact O-N 3.49Å; Q162-W180 HydrophobicContact CG-CZ2 3.84Å; Q162-W180 VanDerWaalsContact NE2-CE2 3.33Å; Q162-W180 VanDerWaalsContact NE2-NE1 3.13Å
163D98.5Very high98.4Very high26 Ų2643.3 Ų43.314%0.13926%0.258CS..  trans-56.8125.7-177.3-75.8-9.1000111.2R84 N92 C159 A160 T168R84-D163 IonicContact CZ-OD1 3.55Å; R84-D163 IonicContact CZ-OD2 3.44Å; R84-D163 VanDerWaalsContact NE-CG 3.3Å; R84-D163 IonicContact NE-OD1 2.74Å; R84-D163 PolarHBondContact NE-OD1 3.13Å; R84-D163 IonicContact NE-OD2 3.46Å; R84-D163 PolarHBondContact NE-OD2 3.46Å; R84-D163 VanDerWaalsContact NH2-CG 3.29Å; R84-D163 IonicContact NH2-OD1 3.57Å; R84-D163 IonicContact NH2-OD2 2.68Å; R84-D163 PolarHBondContact NH2-OD2 2.88Å; N92-D163 PolarHBondContact ND2-O 3.43Å; C159-D163 HydrophobicContact CB-CB 4.03Å; C159-D163 WeakPolarHBondContact CB-O 3.22Å; A160-D163 VanDerWaalsContact O-CB 3.23Å; A160-D163 WeakPolarHBondContact O-CB 3.44Å; A160-D163 PolarHBondContact O-N 2.96Å; A160-D163 VanDerWaalsContact O-N 3.08Å; D163-T168 HydrophobicContact CB-CG2 4.02Å
164P98.2Very high98.4Very high16 Ų1637.5 Ų37.510%0.10424%0.236CC..  trans-75.4130.2179.327.8-29.8000109.8I91 N92 E166 G167 T168I91-P164 HydrophobicContact CD1-CB 4.26Å; I91-P164 HydrophobicContact CG2-CB 4.44Å; N92-P164 WeakPolarHBondContact OD1-CA 3.39Å; P164-E166 PolarHBondContact O-N 3.47Å; P164-G167 PolarHBondContact O-N 3.08Å; P164-T168 WeakPolarHBondContact O-CB 3.3Å; P164-T168 WeakPolarHBondContact O-CG2 3.34Å; P164-T168 PolarHBondContact O-N 3.32Å; P164-T168 VanDerWaalsContact O-N 3.1Å; P164-T168 PolarHBondContact O-OG1 3.44Å
165L98.8Very high98.4Very high2 Ų237.3 Ų37.31%0.0124%0.235CC..Hα-helixtrans-52.6-54.3-176-178.171.4000111.8W144 A157 T168 T169 L171 P173W144-L165 HydrophobicContact CB-CD1 3.89Å; W144-L165 HydrophobicContact CB-CD2 3.76Å; W144-L165 HydrophobicContact CB-CG 4.33Å; W144-L165 HydrophobicContact CD2-CB 4.1Å; W144-L165 HydrophobicContact CD2-CD2 4.15Å; W144-L165 HydrophobicContact CE3-CD2 4.3Å; W144-L165 HydrophobicContact CG-CB 4.12Å; W144-L165 HydrophobicContact CG-CD1 3.92Å; W144-L165 HydrophobicContact CG-CD2 3.92Å; W144-L165 HydrophobicContact CG-CG 4.19Å; A157-L165 HydrophobicContact CB-CD1 3.69Å; L165-T168 PolarHBondContact O-N 2.8Å; L165-T168 PolarHBondContact O-OG1 2.87Å; L165-T169 HydrophobicContact CD1-CG2 4.13Å; L165-T169 WeakPolarHBondContact O-CB 3.3Å; L165-T169 PolarHBondContact O-N 3.37Å; L165-T169 PolarHBondContact O-OG1 2.92Å; L165-L171 HydrophobicContact CD1-CB 4.37Å; L165-L171 HydrophobicContact CD1-CD1 4.39Å; L165-L171 HydrophobicContact CD2-CB 3.92Å; L165-L171 HydrophobicContact CG-CB 3.98Å; L165-P173 HydrophobicContact CB-CB 4.3Å; L165-P173 HydrophobicContact CD2-CB 3.94Å
166E98.4Very high98.5Very high88 Ų8834 Ų3441%0.41122%0.219SC..Hα-helixtrans-64.1-46.1-177.5-175173.8166.300112P164 T168 G170 L171 K172P164-E166 PolarHBondContact O-N 3.47Å; E166-T168 PolarHBondContact O-N 2.86Å; E166-T168 VanDerWaalsContact O-N 3.13Å; E166-G170 VanDerWaalsContact O-CA 3.3Å; E166-G170 WeakPolarHBondContact O-CA 2.97Å; E166-G170 PolarHBondContact O-N 3.01Å; E166-L171 WeakPolarHBondContact CA-O 3.21Å; E166-L171 WeakPolarHBondContact CB-O 3.23Å; E166-L171 PolarHBondContact N-O 2.63Å; E166-K172 VanDerWaalsContact CD-NZ 3.32Å; E166-K172 HydrophobicContact CG-CD 4.36Å; E166-K172 IonicContact OE1-NZ 3.92Å; E166-K172 PolarHBondContact OE1-NZ 2.83Å; E166-K172 VanDerWaalsContact OE2-CD 3.31Å; E166-K172 WeakPolarHBondContact OE2-CD 3.46Å; E166-K172 IonicContact OE2-NZ 3.11Å; E166-K172 PolarHBondContact OE2-NZ 2.71Å
167G97.2Very high98.5Very high66 Ų6631.9 Ų31.968%0.6821%0.208SC*.Hα-helixtrans-66.1-15.3-177.900000114.2P164P164-G167 PolarHBondContact O-N 3.08Å
168T97.4Very high98.5Very high53 Ų5331 Ų3133%0.32520%0.201SC..Hα-helixtrans-116.9-22.9-176.957.80000114.4D163 P164 L165 E166D163-T168 HydrophobicContact CB-CG2 4.02Å; P164-T168 WeakPolarHBondContact O-CB 3.3Å; P164-T168 WeakPolarHBondContact O-CG2 3.34Å; P164-T168 PolarHBondContact O-N 3.32Å; P164-T168 VanDerWaalsContact O-N 3.1Å; P164-T168 PolarHBondContact O-OG1 3.44Å; L165-T168 PolarHBondContact O-N 2.8Å; L165-T168 PolarHBondContact O-OG1 2.87Å; E166-T168 PolarHBondContact O-N 2.86Å; E166-T168 VanDerWaalsContact O-N 3.13Å
169T97.8Very high98.5Very high66 Ų6627.6 Ų27.641%0.40518%0.18SC..Hα-helixtrans-124.7-14.1-176.569.80000113.5L165 L171L165-T169 HydrophobicContact CD1-CG2 4.13Å; L165-T169 WeakPolarHBondContact O-CB 3.3Å; L165-T169 PolarHBondContact O-N 3.37Å; L165-T169 PolarHBondContact O-OG1 2.92Å; T169-L171 PolarHBondContact O-N 3.14Å; T169-L171 WeakPolarHBondContact OG1-CB 3.46Å; T169-L171 VanDerWaalsContact OG1-CG 3.31Å; T169-L171 WeakPolarHBondContact OG1-CG 3.47Å; T169-L171 PolarHBondContact OG1-N 3.44Å
170G98Very high98.5Very high40 Ų4029.1 Ų29.141%0.41219%0.185SC..  trans75.6-0.4-170.900000114.5E166E166-G170 VanDerWaalsContact O-CA 3.3Å; E166-G170 WeakPolarHBondContact O-CA 2.97Å; E166-G170 PolarHBondContact O-N 3.01Å
171L98.7Very high98.5Very high9 Ų931.6 Ų31.65%0.04719%0.188CC..PPolyproline II helixtrans-81132.3177.7-53.8179.7000111.2Y147 N148 Q155 A157 L165 E166 T169 P173Y147-L171 WeakPolarHBondContact O-CA 3.39Å; N148-L171 HydrophobicContact CB-CD2 3.64Å; Q155-L171 HydrophobicContact CB-CD1 3.97Å; A157-L171 HydrophobicContact CB-CD1 3.99Å; L165-L171 HydrophobicContact CD1-CB 4.37Å; L165-L171 HydrophobicContact CD1-CD1 4.39Å; L165-L171 HydrophobicContact CD2-CB 3.92Å; L165-L171 HydrophobicContact CG-CB 3.98Å; E166-L171 WeakPolarHBondContact CA-O 3.21Å; E166-L171 WeakPolarHBondContact CB-O 3.23Å; E166-L171 PolarHBondContact N-O 2.63Å; T169-L171 PolarHBondContact O-N 3.14Å; T169-L171 WeakPolarHBondContact OG1-CB 3.46Å; T169-L171 VanDerWaalsContact OG1-CG 3.31Å; T169-L171 WeakPolarHBondContact OG1-CG 3.47Å; T169-L171 PolarHBondContact OG1-N 3.44Å; L171-P173 WeakPolarHBondContact O-CD 3.47Å
172K98.7Very high98.5Very high64 Ų6429.6 Ų29.628%0.27818%0.176SC..EExtended strand (participates in β ladder)trans-71.4121.7173.8-60-59.8-168.5173.90109.5G146 Y147 E166 L174 S215G146-K172 CarbonylContact C-O 3.49Å; G146-K172 VanDerWaalsContact CA-O 3.22Å; G146-K172 WeakPolarHBondContact CA-O 3.07Å; Y147-K172 HydrophobicContact CD1-CG 4.4Å; Y147-K172 PolarHBondContact N-O 3.31Å; Y147-K172 PolarHBondContact O-N 3.46Å; E166-K172 VanDerWaalsContact CD-NZ 3.32Å; E166-K172 HydrophobicContact CG-CD 4.36Å; E166-K172 IonicContact OE1-NZ 3.92Å; E166-K172 PolarHBondContact OE1-NZ 2.83Å; E166-K172 VanDerWaalsContact OE2-CD 3.31Å; E166-K172 WeakPolarHBondContact OE2-CD 3.46Å; E166-K172 IonicContact OE2-NZ 3.11Å; E166-K172 PolarHBondContact OE2-NZ 2.71Å; K172-L174 PolarHBondContact O-N 2.75Å; K172-S215 WeakPolarHBondContact CB-OG 3.44Å
173P98.8Very high98.5Very high16 Ų1629.7 Ų29.710%0.10418%0.177CC..EExtended strand (participates in β ladder)trans-72.4126.9-177.228-35.1000111.7I95 W144 L165 L171I95-P173 HydrophobicContact CD1-CB 3.82Å; I95-P173 HydrophobicContact CD1-CG 3.44Å; I95-P173 VanDerWaalsContact CD1-CG 3.44Å; W144-P173 HydrophobicContact CE3-CB 3.83Å; W144-P173 HydrophobicContact CH2-CB 4.45Å; W144-P173 HydrophobicContact CZ3-CB 3.68Å; L165-P173 HydrophobicContact CB-CB 4.3Å; L165-P173 HydrophobicContact CD2-CB 3.94Å; L171-P173 WeakPolarHBondContact O-CD 3.47Å
174L98.9Very high98.5Very high0 Ų028.6 Ų28.60%017%0.171CC..EExtended strand (participates in β ladder)trans-108.5-55.9178-51.5-174.6000111.5N99 L145 L154 K172 V208 R211 F212N99-L174 PolarHBondContact ND2-O 3.39Å; N99-L174 PolarHBondContact OD1-O 2.78Å; L145-L174 HydrophobicContact CD2-CD1 4.3Å; L145-L174 HydrophobicContact CG-CB 4.43Å; L145-L174 HydrophobicContact CG-CD1 4.24Å; L145-L174 WeakPolarHBondContact O-CB 3.43Å; L145-L174 PolarHBondContact O-N 2.71Å; L154-L174 HydrophobicContact CD2-CD1 3.51Å; K172-L174 PolarHBondContact O-N 2.75Å; L174-V208 HydrophobicContact CB-CG1 3.92Å; L174-R211 HydrophobicContact CD2-CB 3.97Å; L174-R211 WeakPolarHBondContact O-CD 3.39Å; L174-F212 HydrophobicContact CD1-CB 4.14Å; L174-F212 HydrophobicContact CD1-CD2 3.87Å; L174-F212 HydrophobicContact CD1-CG 4.43Å; L174-F212 HydrophobicContact CD2-CB 4.25Å
175L98.9Very high98.5Very high0 Ų032.9 Ų32.90%019%0.186CC..EExtended strand (participates in β ladder)trans-130.3123.9178.3169.462000109.3N99 L130 W144 L145 W200 I203 W205 V208N99-L175 HydrophobicContact CB-CD1 4.01Å; N99-L175 VanDerWaalsContact OD1-CA 3.27Å; N99-L175 WeakPolarHBondContact OD1-CA 3.46Å; L130-L175 HydrophobicContact CD2-CD2 4.13Å; W144-L175 CarbonylContact C-O 3.48Å; W144-L175 VanDerWaalsContact CA-O 3.32Å; W144-L175 WeakPolarHBondContact CA-O 3.24Å; W144-L175 VanDerWaalsContact CE3-O 3.31Å; L145-L175 HydrophobicContact CB-CB 4.09Å; L145-L175 PolarHBondContact N-O 3.38Å; L145-L175 PolarHBondContact O-N 3.29Å; L175-W200 HydrophobicContact CD2-CZ3 4.37Å; L175-I203 HydrophobicContact CD1-CD1 3.72Å; L175-I203 HydrophobicContact CD1-CG1 4.45Å; L175-I203 HydrophobicContact CD1-CG2 4.04Å; L175-I203 HydrophobicContact CD2-CG2 4.18Å; L175-W205 HydrophobicContact CD2-CH2 3.89Å; L175-W205 HydrophobicContact CD2-CZ3 4.21Å; L175-V208 HydrophobicContact CB-CG1 4.14Å; L175-V208 HydrophobicContact CB-CG2 3.96Å; L175-V208 HydrophobicContact CD1-CG2 4.31Å
176G98.9Very high98.4Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-114140.8172.800000112.5F96 N99 G143F96-G176 WeakPolarHBondContact CD2-O 3.1Å; N99-G176 PolarHBondContact OD1-N 3.5Å; G143-G176 CarbonylContact O-C 3.51Å; G143-G176 WeakPolarHBondContact O-CA 3.43Å
177I98.9Very high98.4Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-119113.6171.4-59173.9000107.8L130 T134 W142 G143 V179 Y195 I199 W200L130-I177 HydrophobicContact CD2-CD1 4.21Å; L130-I177 HydrophobicContact CG-CD1 4.38Å; T134-I177 HydrophobicContact CG2-CB 3.93Å; T134-I177 HydrophobicContact CG2-CG2 3.73Å; W142-I177 WeakPolarHBondContact CA-O 3.34Å; G143-I177 PolarHBondContact N-O 3.35Å; G143-I177 PolarHBondContact O-N 3.19Å; I177-V179 HydrophobicContact CG2-CG1 4.31Å; I177-Y195 HydrophobicContact CG2-CE1 4.28Å; I177-I199 HydrophobicContact CD1-CG2 4.11Å; I177-I199 HydrophobicContact CG1-CG2 4.38Å; I177-I199 HydrophobicContact CG2-CD1 3.97Å; I177-I199 HydrophobicContact CG2-CG2 4.26Å; I177-W200 HydrophobicContact CD1-CZ2 4.34Å
178D98.9Very high98.5Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-75.6120.4176.5-168.5-7.3000110.6H45 H93 F96 W142 W180 H182 A183 Y195H45-D178 IonicContact CE1-OD2 2.98Å; H45-D178 PolarHBondContact CE1-OD2 2.92Å; H45-D178 VanDerWaalsContact CE1-OD2 3.22Å; H45-D178 IonicContact NE2-OD2 3.75Å; H45-D178 PolarHBondContact NE2-OD2 2.8Å; H93-D178 IonicContact NE2-OD2 3.12Å; F96-D178 HydrophobicContact CE1-CB 4.45Å; F96-D178 HydrophobicContact CE2-CB 4.39Å; F96-D178 HydrophobicContact CZ-CB 4.27Å; W142-D178 HydrophobicContact CD2-CB 4.25Å; W142-D178 HydrophobicContact CE3-CB 3.91Å; W142-D178 HydrophobicContact CH2-CB 3.51Å; W142-D178 HydrophobicContact CZ2-CB 3.87Å; W142-D178 HydrophobicContact CZ3-CB 3.54Å; D178-W180 VanDerWaalsContact OD1-CB 3.24Å; D178-W180 WeakPolarHBondContact OD1-CB 3.19Å; D178-W180 PolarHBondContact OD1-N 2.89Å; D178-H182 IonicContact OD2-CD2 2.71Å; D178-H182 IonicContact OD2-NE2 3.86Å; D178-H182 PolarHBondContact OD2-NE2 3.28Å; D178-H182 VanDerWaalsContact OD2-NE2 3.17Å; D178-A183 HydrophobicContact CB-CB 3.99Å; D178-Y195 WeakPolarHBondContact O-CE1 3.4Å; D178-Y195 PolarHBondContact O-OH 2.91Å; D178-Y195 VanDerWaalsContact O-OH 3.06Å
179V98.7Very high98.5Very high0 Ų036.5 Ų36.50%018%0.18CC..  trans-117.522.1173.4-67.50000113.3T134 V137 G141 I177 Y184 R192 Y195 V196T134-V179 HydrophobicContact CG2-CG1 3.45Å; T134-V179 VanDerWaalsContact CG2-CG1 3.45Å; T134-V179 HydrophobicContact CG2-CG2 4.4Å; V137-V179 HydrophobicContact CB-CG2 4Å; V137-V179 HydrophobicContact CG1-CG2 4.19Å; V137-V179 HydrophobicContact CG2-CG2 4.26Å; G141-V179 WeakPolarHBondContact O-CG2 3.22Å; G141-V179 PolarHBondContact O-N 3.38Å; I177-V179 HydrophobicContact CG2-CG1 4.31Å; V179-Y184 HydrophobicContact CB-CE1 4.44Å; V179-R192 HydrophobicContact CG1-CG 4.24Å; V179-R192 PolarHBondContact O-NH2 2.68Å; V179-Y195 HydrophobicContact CG1-CE1 4.43Å; V179-V196 HydrophobicContact CG1-CG2 3.9Å
180W98.7Very high98.5Very high38 Ų3839.4 Ų39.414%0.14419%0.193CC..SBendtrans-56.2139.4152.9-7773.9000109.8F85 S140 G141 W142 N161 Q162 D178 H182 A183 Y184F85-W180 AromaticContact CE2-CH2 3.58Å; F85-W180 HydrophobicContact CE2-CH2 3.58Å; F85-W180 AromaticContact CE2-CZ2 3.61Å; F85-W180 HydrophobicContact CE2-CZ2 3.61Å; F85-W180 AromaticContact CZ-CH2 3.68Å; F85-W180 HydrophobicContact CZ-CH2 3.68Å; F85-W180 HydrophobicContact CZ-CZ2 4.02Å; S140-W180 VanDerWaalsContact CB-CD2 3.45Å; S140-W180 VanDerWaalsContact CB-CE2 3.44Å; G141-W180 PolarHBondContact O-N 3.11Å; W142-W180 AromaticContact NE1-CD1 3.88Å; W142-W180 AromaticContact NE1-NE1 3.83Å; N161-W180 VanDerWaalsContact C-NE1 3.34Å; N161-W180 HydrophobicContact CB-CZ2 3.99Å; N161-W180 PolarHBondContact O-NE1 2.86Å; Q162-W180 HydrophobicContact CG-CZ2 3.84Å; Q162-W180 VanDerWaalsContact NE2-CE2 3.33Å; Q162-W180 VanDerWaalsContact NE2-NE1 3.13Å; D178-W180 VanDerWaalsContact OD1-CB 3.24Å; D178-W180 WeakPolarHBondContact OD1-CB 3.19Å; D178-W180 PolarHBondContact OD1-N 2.89Å; W180-H182 WeakPolarHBondContact CB-CE1 3.15Å; W180-H182 WeakPolarHBondContact CB-NE2 3.42Å; W180-H182 AromaticContact CD2-CE1 3.76Å; W180-H182 AromaticContact CE3-CE1 3.89Å; W180-H182 AromaticContact CE3-ND1 3.89Å; W180-H182 AromaticContact CG-CE1 3.53Å; W180-H182 AromaticContact CG-NE2 3.98Å; W180-H182 PolarHBondContact O-N 3.13Å; W180-A183 VanDerWaalsContact O-CB 3.27Å; W180-A183 WeakPolarHBondContact O-CB 3.4Å; W180-A183 PolarHBondContact O-N 3.1Å; W180-Y184 WeakPolarHBondContact O-CD1 3.48Å; W180-Y184 WeakPolarHBondContact O-CE1 3.34Å
181E98.4Very high98.5Very high103 Ų10340 Ų4048%0.48119%0.188SC..G310 helixtrans-59.8-32-177.9-67.9-170.812800112A183 Y184 Y185E181-A183 PolarHBondContact O-N 2.9Å; E181-Y184 PolarHBondContact O-N 3.35Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; E181-Y185 HydrophobicContact CB-CD2 4.27Å; E181-Y185 HydrophobicContact CG-CD2 4.45Å; E181-Y185 WeakPolarHBondContact O-CB 3.14Å; E181-Y185 PolarHBondContact O-N 3.5Å
182H98.3Very high98.5Very high35 Ų3541 Ų4116%0.16219%0.192CC..G310 helixtrans-57.5-23.1175.664.6-125.2000113.6H45 H49 H93 D178 W180 Y184H45-H182 AromaticContact CD2-CD2 3.42Å; H45-H182 PolarHBondContact CD2-CD2 2.91Å; H45-H182 VanDerWaalsContact CD2-CD2 3.42Å; H45-H182 AromaticContact CD2-NE2 3.49Å; H45-H182 PolarHBondContact CD2-NE2 2.91Å; H45-H182 AromaticContact CE1-CD2 3.86Å; H45-H182 AromaticContact CE1-NE2 3.94Å; H45-H182 AromaticContact CG-CD2 4Å; H45-H182 AromaticContact NE2-CD2 3.34Å; H45-H182 PolarHBondContact NE2-CD2 3.3Å; H45-H182 VanDerWaalsContact NE2-CD2 3.34Å; H45-H182 AromaticContact NE2-NE2 3.13Å; H45-H182 PolarHBondContact NE2-NE2 3.12Å; H45-H182 VanDerWaalsContact NE2-NE2 3.13Å; H49-H182 AromaticContact CD2-CG 3.97Å; H49-H182 AromaticContact CE1-CG 3.85Å; H49-H182 AromaticContact CE1-ND1 3.71Å; H49-H182 AromaticContact CG-CG 3.99Å; H49-H182 AromaticContact CG-ND1 3.89Å; H49-H182 AromaticContact ND1-CG 3.92Å; H49-H182 AromaticContact ND1-ND1 3.5Å; H49-H182 PolarHBondContact ND1-ND1 2.79Å; H49-H182 WeakPolarHBondContact NE2-CB 3.43Å; H49-H182 AromaticContact NE2-CG 3.92Å; H93-H182 AromaticContact NE2-NE2 3.93Å; D178-H182 IonicContact OD2-CD2 2.71Å; D178-H182 IonicContact OD2-NE2 3.86Å; D178-H182 PolarHBondContact OD2-NE2 3.28Å; D178-H182 VanDerWaalsContact OD2-NE2 3.17Å; W180-H182 WeakPolarHBondContact CB-CE1 3.15Å; W180-H182 WeakPolarHBondContact CB-NE2 3.42Å; W180-H182 AromaticContact CD2-CE1 3.76Å; W180-H182 AromaticContact CE3-CE1 3.89Å; W180-H182 AromaticContact CE3-ND1 3.89Å; W180-H182 AromaticContact CG-CE1 3.53Å; W180-H182 AromaticContact CG-NE2 3.98Å; W180-H182 PolarHBondContact O-N 3.13Å; H182-Y184 VanDerWaalsContact C-N 3.3Å; H182-Y184 PolarHBondContact O-N 3.32Å
183A98.6Very high98.5Very high1 Ų140.7 Ų40.71%0.00820%0.196CC..G310 helixtrans-76.6-18.2-17700000112.7I41 D178 W180 E181I41-A183 WeakPolarHBondContact CG2-O 3.23Å; D178-A183 HydrophobicContact CB-CB 3.99Å; W180-A183 VanDerWaalsContact O-CB 3.27Å; W180-A183 WeakPolarHBondContact O-CB 3.4Å; W180-A183 PolarHBondContact O-N 3.1Å; E181-A183 PolarHBondContact O-N 2.9Å
184Y98.4Very high98.5Very high4 Ų444 Ų442%0.01621%0.213CC..THydrogen-bonded Turntrans-145.5-20.7-172.663.5-100.9000115.4V179 W180 E181 H182 L186 Q187 Y188 K189 R192 Y195V179-Y184 HydrophobicContact CB-CE1 4.44Å; W180-Y184 WeakPolarHBondContact O-CD1 3.48Å; W180-Y184 WeakPolarHBondContact O-CE1 3.34Å; E181-Y184 PolarHBondContact O-N 3.35Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; H182-Y184 VanDerWaalsContact C-N 3.3Å; H182-Y184 PolarHBondContact O-N 3.32Å; Y184-L186 VanDerWaalsContact C-N 3.3Å; Y184-L186 PolarHBondContact O-N 3.38Å; Y184-Q187 PolarHBondContact O-N 2.64Å; Y184-Y188 PolarHBondContact O-N 3.41Å; Y184-K189 WeakPolarHBondContact CE2-O 3.31Å; Y184-R192 HydrophobicContact CE1-CB 4.39Å; Y184-R192 HydrophobicContact CE1-CG 4.11Å; Y184-R192 HydrophobicContact CE2-CB 4.09Å; Y184-R192 PolarHBondContact OH-NE 2.9Å; Y184-R192 PolarHBondContact OH-NH2 3.32Å; Y184-Y195 AromaticContact CD1-CD1 3.67Å; Y184-Y195 HydrophobicContact CD1-CD1 3.67Å; Y184-Y195 AromaticContact CD1-CE1 3.98Å; Y184-Y195 HydrophobicContact CD1-CE1 3.98Å; Y184-Y195 HydrophobicContact CD1-CG 4.18Å; Y184-Y195 AromaticContact CG-CD1 3.93Å; Y184-Y195 HydrophobicContact CG-CD1 3.93Å; Y184-Y195 AromaticContact CG-CG 3.95Å; Y184-Y195 HydrophobicContact CG-CG 3.95Å
185Y98.3Very high98.5Very high105 Ų10544 Ų4441%0.41221%0.213SC..Hα-helixtrans-65-30.6-163.9-164.5-85.5000113.4E181 Q187 K189E181-Y185 HydrophobicContact CB-CD2 4.27Å; E181-Y185 HydrophobicContact CG-CD2 4.45Å; E181-Y185 WeakPolarHBondContact O-CB 3.14Å; E181-Y185 PolarHBondContact O-N 3.5Å; Y185-Q187 PolarHBondContact O-N 3.5Å; Y185-K189 WeakPolarHBondContact CD2-O 3.1Å; Y185-K189 WeakPolarHBondContact O-CA 3.45Å; Y185-K189 WeakPolarHBondContact O-CD 3.35Å; Y185-K189 PolarHBondContact O-N 2.73Å
186L98.3Very high98.5Very high71 Ų7144 Ų4437%0.37221%0.213SC..Hα-helixtrans-61.7-32.6177.4-67.5175.4000112.3E40 I41 L44 Y184 K189E40-L186 HydrophobicContact CG-CD1 4.07Å; I41-L186 HydrophobicContact CD1-CB 4.15Å; I41-L186 HydrophobicContact CG1-CB 3.78Å; I41-L186 HydrophobicContact CG1-CD1 4.11Å; I41-L186 HydrophobicContact CG1-CG 4.39Å; L44-L186 HydrophobicContact CD1-CD1 3.53Å; Y184-L186 VanDerWaalsContact C-N 3.3Å; Y184-L186 PolarHBondContact O-N 3.38Å; L186-K189 PolarHBondContact O-NZ 2.92Å
187Q98.5Very high98.5Very high67 Ų6751.2 Ų51.231%0.31324%0.244SC..Hα-helixtrans-103-45.9-175.5-178.6174-29.600112.9P35 V36 I41 Y184 Y185P35-Q187 PolarHBondContact O-NE2 3.28Å; V36-Q187 PolarHBondContact O-NE2 2.98Å; I41-Q187 HydrophobicContact CD1-CB 3.54Å; Y184-Q187 PolarHBondContact O-N 2.64Å; Y185-Q187 PolarHBondContact O-N 3.5Å
188Y98.6Very high98.4Very high35 Ų3552.1 Ų52.114%0.13725%0.252CS..Hα-helixtrans-98-4.3-174.8-63.1-88.7000113.6V36 Y184 N190 V191 D194 Y195 A198V36-Y188 WeakPolarHBondContact O-CE2 3.44Å; V36-Y188 PolarHBondContact O-OH 2.89Å; Y184-Y188 PolarHBondContact O-N 3.41Å; Y188-N190 PolarHBondContact O-N 3.4Å; Y188-V191 WeakPolarHBondContact O-CB 3.49Å; Y188-V191 PolarHBondContact O-N 3.1Å; Y188-D194 HydrophobicContact CD1-CB 3.84Å; Y188-D194 HydrophobicContact CE1-CB 4.24Å; Y188-Y195 HydrophobicContact CD2-CD2 4.06Å; Y188-Y195 HydrophobicContact CD2-CG 4.3Å; Y188-Y195 AromaticContact CE2-CD2 3.82Å; Y188-Y195 HydrophobicContact CE2-CD2 3.82Å; Y188-Y195 HydrophobicContact CE2-CG 4.4Å; Y188-A198 HydrophobicContact CE1-CB 4.29Å; Y188-A198 VanDerWaalsContact OH-CB 3.23Å; Y188-A198 WeakPolarHBondContact OH-CB 3.42Å
189K98.1Very high98.4Very high112 Ų11252.1 Ų52.149%0.48725%0.252SS..THydrogen-bonded Turntrans51.4-128.8-177.1-50.1-56.5179.5-161.30110.1Y184 Y185 L186 V191Y184-K189 WeakPolarHBondContact CE2-O 3.31Å; Y185-K189 WeakPolarHBondContact CD2-O 3.1Å; Y185-K189 WeakPolarHBondContact O-CA 3.45Å; Y185-K189 WeakPolarHBondContact O-CD 3.35Å; Y185-K189 PolarHBondContact O-N 2.73Å; L186-K189 PolarHBondContact O-NZ 2.92Å; K189-V191 VanDerWaalsContact C-N 3.26Å; K189-V191 PolarHBondContact O-N 3.45Å
190N96.7Very high98.4Very high127 Ų12752.3 Ų52.368%0.67925%0.252SS*.THydrogen-bonded Turntrans-79.41.517963.5-65.6000114.3Y188 R192Y188-N190 PolarHBondContact O-N 3.4Å; N190-R192 PolarHBondContact O-N 3.03Å
191V98.1Very high98.4Very high52 Ų5255.2 Ų55.232%0.31527%0.271SS..  trans-96.164.5-172.4-158.90000111.4Y188 K189 P193 D194Y188-V191 WeakPolarHBondContact O-CB 3.49Å; Y188-V191 PolarHBondContact O-N 3.1Å; K189-V191 VanDerWaalsContact C-N 3.26Å; K189-V191 PolarHBondContact O-N 3.45Å; V191-P193 VanDerWaalsContact C-N 3.29Å; V191-D194 HydrophobicContact CB-CB 4.36Å; V191-D194 HydrophobicContact CG1-CB 3.9Å; V191-D194 VanDerWaalsContact CG1-CG 3.44Å; V191-D194 WeakPolarHBondContact CG1-OD2 3.31Å; V191-D194 PolarHBondContact O-N 3.46Å; V191-D194 VanDerWaalsContact O-N 3.07Å
192R98.3Very high98.4Very high31 Ų3150.8 Ų50.812%0.11725%0.25CS..Hα-helixtrans-48.5-42.4175179.8-173-65.6-176.9-7.4113.9I135 V137 G139 V179 Y184 N190 D194 Y195 V196I135-R192 PolarHBondContact O-NH1 3.42Å; V137-R192 PolarHBondContact O-NH1 3.1Å; G139-R192 PolarHBondContact O-NH2 2.74Å; V179-R192 HydrophobicContact CG1-CG 4.24Å; V179-R192 PolarHBondContact O-NH2 2.68Å; Y184-R192 HydrophobicContact CE1-CB 4.39Å; Y184-R192 HydrophobicContact CE1-CG 4.11Å; Y184-R192 HydrophobicContact CE2-CB 4.09Å; Y184-R192 PolarHBondContact OH-NE 2.9Å; Y184-R192 PolarHBondContact OH-NH2 3.32Å; N190-R192 PolarHBondContact O-N 3.03Å; R192-D194 PolarHBondContact O-N 2.95Å; R192-Y195 PolarHBondContact O-N 3.15Å; R192-V196 HydrophobicContact CG-CG2 4.14Å; R192-V196 PolarHBondContact O-N 3.04Å
193P98.7Very high98.5Very high58 Ų5849.1 Ų49.138%0.37724%0.242SC..Hα-helixtrans-57.2-34.1179.4-27.837.2000114I135 V191 V196 K197I135-P193 HydrophobicContact CD1-CB 4.01Å; I135-P193 HydrophobicContact CD1-CG 4.43Å; I135-P193 HydrophobicContact CG2-CG 4.03Å; V191-P193 VanDerWaalsContact C-N 3.29Å; P193-V196 PolarHBondContact O-N 2.96Å; P193-K197 VanDerWaalsContact O-CB 3.28Å; P193-K197 WeakPolarHBondContact O-CB 3.42Å; P193-K197 PolarHBondContact O-N 3.35Å
194D98.8Very high98.5Very high84 Ų8450.8 Ų50.845%0.44925%0.251SS..Hα-helixtrans-71.7-38.4-179.7-74.70.3000111.5Y188 V191 R192 K197 A198Y188-D194 HydrophobicContact CD1-CB 3.84Å; Y188-D194 HydrophobicContact CE1-CB 4.24Å; V191-D194 HydrophobicContact CB-CB 4.36Å; V191-D194 HydrophobicContact CG1-CB 3.9Å; V191-D194 VanDerWaalsContact CG1-CG 3.44Å; V191-D194 WeakPolarHBondContact CG1-OD2 3.31Å; V191-D194 PolarHBondContact O-N 3.46Å; V191-D194 VanDerWaalsContact O-N 3.07Å; R192-D194 PolarHBondContact O-N 2.95Å; D194-K197 PolarHBondContact O-N 3.29Å; D194-A198 WeakPolarHBondContact O-CB 3.48Å; D194-A198 PolarHBondContact O-N 2.93Å
195Y98.8Very high98.5Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-62.1-50171.2164.6-108.1000111.6I37 I177 D178 V179 Y184 Y188 R192 K197 A198 I199I37-Y195 HydrophobicContact CD1-CE2 4.28Å; I37-Y195 HydrophobicContact CG1-CE2 4.33Å; I177-Y195 HydrophobicContact CG2-CE1 4.28Å; D178-Y195 WeakPolarHBondContact O-CE1 3.4Å; D178-Y195 PolarHBondContact O-OH 2.91Å; D178-Y195 VanDerWaalsContact O-OH 3.06Å; V179-Y195 HydrophobicContact CG1-CE1 4.43Å; Y184-Y195 AromaticContact CD1-CD1 3.67Å; Y184-Y195 HydrophobicContact CD1-CD1 3.67Å; Y184-Y195 AromaticContact CD1-CE1 3.98Å; Y184-Y195 HydrophobicContact CD1-CE1 3.98Å; Y184-Y195 HydrophobicContact CD1-CG 4.18Å; Y184-Y195 AromaticContact CG-CD1 3.93Å; Y184-Y195 HydrophobicContact CG-CD1 3.93Å; Y184-Y195 AromaticContact CG-CG 3.95Å; Y184-Y195 HydrophobicContact CG-CG 3.95Å; Y188-Y195 HydrophobicContact CD2-CD2 4.06Å; Y188-Y195 HydrophobicContact CD2-CG 4.3Å; Y188-Y195 AromaticContact CE2-CD2 3.82Å; Y188-Y195 HydrophobicContact CE2-CD2 3.82Å; Y188-Y195 HydrophobicContact CE2-CG 4.4Å; R192-Y195 PolarHBondContact O-N 3.15Å; Y195-K197 PolarHBondContact O-N 3.36Å; Y195-A198 PolarHBondContact O-N 3.32Å; Y195-A198 VanDerWaalsContact O-N 3.12Å; Y195-I199 HydrophobicContact CE1-CD1 4.46Å; Y195-I199 HydrophobicContact CE2-CD1 4.15Å; Y195-I199 PolarHBondContact O-N 2.92Å; Y195-I199 WeakPolarHBondContact OH-CD1 3.25Å
196V98.9Very high98.5Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-62.8-31.1178.8176.90000111.1T134 I135 V179 R192 P193 I199 W200T134-V196 HydrophobicContact CG2-CG1 4.38Å; T134-V196 HydrophobicContact CG2-CG2 4.04Å; I135-V196 HydrophobicContact CD1-CB 4.27Å; I135-V196 HydrophobicContact CD1-CG1 4.24Å; I135-V196 HydrophobicContact CG1-CB 3.94Å; I135-V196 HydrophobicContact CG1-CG1 4.03Å; I135-V196 HydrophobicContact CG1-CG2 3.92Å; V179-V196 HydrophobicContact CG1-CG2 3.9Å; R192-V196 HydrophobicContact CG-CG2 4.14Å; R192-V196 PolarHBondContact O-N 3.04Å; P193-V196 PolarHBondContact O-N 2.96Å; V196-I199 WeakPolarHBondContact O-CG2 3.42Å; V196-W200 PolarHBondContact O-NE1 3.19Å
197K98.8Very high98.5Very high153 Ų15348.8 Ų48.867%0.66525%0.254SS*.Hα-helixtrans-68.2-46.5173.1-179.4-177.1175.9-173.90111.7P193 D194 Y195P193-K197 VanDerWaalsContact O-CB 3.28Å; P193-K197 WeakPolarHBondContact O-CB 3.42Å; P193-K197 PolarHBondContact O-N 3.35Å; D194-K197 PolarHBondContact O-N 3.29Å; Y195-K197 PolarHBondContact O-N 3.36Å
198A98.7Very high98.5Very high18 Ų1845.6 Ų45.615%0.14924%0.239CC..Hα-helixtrans-72.7-33.9-175.200000113.1V36 Y188 D194 Y195 W200 D201V36-A198 HydrophobicContact CG1-CB 3.95Å; V36-A198 WeakPolarHBondContact CG1-O 3.49Å; Y188-A198 HydrophobicContact CE1-CB 4.29Å; Y188-A198 VanDerWaalsContact OH-CB 3.23Å; Y188-A198 WeakPolarHBondContact OH-CB 3.42Å; D194-A198 WeakPolarHBondContact O-CB 3.48Å; D194-A198 PolarHBondContact O-N 2.93Å; Y195-A198 PolarHBondContact O-N 3.32Å; Y195-A198 VanDerWaalsContact O-N 3.12Å; A198-W200 PolarHBondContact O-N 3.13Å; A198-D201 WeakPolarHBondContact O-CB 3.32Å; A198-D201 PolarHBondContact O-N 3.07Å
199I98.8Very high98.5Very high0 Ų045.1 Ų45.10%024%0.243CC..G310 helixtrans-58.5-26.6-176.7-154.2177.1000113F96 L100 I177 Y195 V196 D201 I202 I203F96-I199 HydrophobicContact CE2-CD1 3.9Å; F96-I199 HydrophobicContact CZ-CD1 4.25Å; L100-I199 HydrophobicContact CD2-CD1 4.18Å; L100-I199 HydrophobicContact CD2-CG1 4.04Å; I177-I199 HydrophobicContact CD1-CG2 4.11Å; I177-I199 HydrophobicContact CG1-CG2 4.38Å; I177-I199 HydrophobicContact CG2-CD1 3.97Å; I177-I199 HydrophobicContact CG2-CG2 4.26Å; Y195-I199 HydrophobicContact CE1-CD1 4.46Å; Y195-I199 HydrophobicContact CE2-CD1 4.15Å; Y195-I199 PolarHBondContact O-N 2.92Å; Y195-I199 WeakPolarHBondContact OH-CD1 3.25Å; V196-I199 WeakPolarHBondContact O-CG2 3.42Å; I199-D201 PolarHBondContact O-N 2.6Å; I199-D201 VanDerWaalsContact O-N 3.15Å; I199-I202 HydrophobicContact CG1-CD1 4.25Å; I199-I202 HydrophobicContact CG1-CG1 4.25Å; I199-I202 WeakPolarHBondContact O-CG1 3.38Å; I199-I202 PolarHBondContact O-N 2.83Å; I199-I202 VanDerWaalsContact O-N 3.14Å; I199-I203 HydrophobicContact CG1-CD1 4.33Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 3.26Å
200W98.8Very high98.6Very high4 Ų446.2 Ų46.22%0.01525%0.248CC..G310 helixtrans-59.1-24.2176.3-71.1101.9000113.7G105 F123 F126 K127 L130 S131 L175 I177 V196 A198 I202 I203 W205G105-W200 VanDerWaalsContact CA-O 3.31Å; G105-W200 WeakPolarHBondContact CA-O 3.36Å; F123-W200 HydrophobicContact CE2-CZ3 4.47Å; F123-W200 HydrophobicContact CZ-CE3 4.34Å; F123-W200 HydrophobicContact CZ-CZ3 4.23Å; F126-W200 AromaticContact CE1-CH2 3.81Å; F126-W200 HydrophobicContact CE1-CH2 3.81Å; F126-W200 AromaticContact CE1-CZ3 3.91Å; F126-W200 HydrophobicContact CE1-CZ3 3.91Å; F126-W200 AromaticContact CZ-CH2 3.96Å; F126-W200 HydrophobicContact CZ-CH2 3.96Å; F126-W200 HydrophobicContact CZ-CZ3 4.38Å; K127-W200 HydrophobicContact CB-CH2 4.03Å; K127-W200 HydrophobicContact CB-CZ2 4.14Å; K127-W200 HydrophobicContact CB-CZ3 4.27Å; K127-W200 HydrophobicContact CD-CD2 3.82Å; K127-W200 HydrophobicContact CD-CE3 4.11Å; K127-W200 HydrophobicContact CD-CG 3.98Å; K127-W200 VanDerWaalsContact CE-CD1 3.48Å; K127-W200 HydrophobicContact CG-CD2 3.83Å; K127-W200 HydrophobicContact CG-CE3 4.18Å; K127-W200 HydrophobicContact CG-CG 4.31Å; K127-W200 HydrophobicContact CG-CH2 4.12Å; K127-W200 HydrophobicContact CG-CZ2 3.8Å; K127-W200 HydrophobicContact CG-CZ3 4.3Å; L130-W200 HydrophobicContact CB-CH2 4.33Å; L130-W200 HydrophobicContact CB-CZ2 4.25Å; L130-W200 HydrophobicContact CD2-CH2 3.81Å; L130-W200 HydrophobicContact CD2-CZ2 4.11Å; L130-W200 HydrophobicContact CG-CH2 4.43Å; L130-W200 HydrophobicContact CG-CZ2 4.32Å; S131-W200 PolarHBondContact OG-NE1 3.2Å; L175-W200 HydrophobicContact CD2-CZ3 4.37Å; I177-W200 HydrophobicContact CD1-CZ2 4.34Å; V196-W200 PolarHBondContact O-NE1 3.19Å; A198-W200 PolarHBondContact O-N 3.13Å; W200-I202 VanDerWaalsContact C-N 3.26Å; W200-I202 PolarHBondContact O-N 3.47Å; W200-I203 HydrophobicContact CE3-CG1 4.31Å; W200-W205 HydrophobicContact CE3-CZ2 4.09Å; W200-W205 AromaticContact CZ3-CH2 3.85Å; W200-W205 HydrophobicContact CZ3-CH2 3.85Å; W200-W205 AromaticContact CZ3-CZ2 3.84Å; W200-W205 HydrophobicContact CZ3-CZ2 3.84Å
201D98.5Very high98.7Very high100 Ų10042.7 Ų42.754%0.53523%0.225SC..G310 helixtrans-80.1-9.2-177.8-61.1-23000112.7V36 G104 G105 A198 I199V36-D201 HydrophobicContact CG2-CB 4.31Å; G104-D201 CarbonylContact C-O 3.32Å; G105-D201 WeakPolarHBondContact CA-O 3.23Å; G105-D201 PolarHBondContact N-O 2.95Å; A198-D201 WeakPolarHBondContact O-CB 3.32Å; A198-D201 PolarHBondContact O-N 3.07Å; I199-D201 PolarHBondContact O-N 2.6Å; I199-D201 VanDerWaalsContact O-N 3.15Å
202I98.6Very high98.7Very high9 Ų940.6 Ų40.65%0.04621%0.212CC..G310 helixtrans-123.911.2179.855.9166.9000113L33 V36 I37 L100 S101 I199 W200 N204L33-I202 HydrophobicContact CB-CD1 4.13Å; L33-I202 HydrophobicContact CD1-CD1 4.08Å; L33-I202 HydrophobicContact CD2-CB 4.26Å; L33-I202 HydrophobicContact CD2-CD1 4.31Å; L33-I202 HydrophobicContact CD2-CG2 4.35Å; L33-I202 HydrophobicContact CG-CD1 4.41Å; V36-I202 HydrophobicContact CB-CD1 3.93Å; V36-I202 HydrophobicContact CB-CG1 4.25Å; V36-I202 HydrophobicContact CB-CG2 4Å; V36-I202 HydrophobicContact CG1-CD1 3.54Å; V36-I202 HydrophobicContact CG1-CG1 3.81Å; V36-I202 HydrophobicContact CG1-CG2 4.46Å; V36-I202 HydrophobicContact CG2-CG2 3.9Å; I37-I202 HydrophobicContact CD1-CD1 3.87Å; I37-I202 HydrophobicContact CG1-CD1 3.99Å; L100-I202 CarbonylContact C-O 3.6Å; L100-I202 VanDerWaalsContact CA-O 3.28Å; L100-I202 WeakPolarHBondContact CA-O 3.47Å; L100-I202 HydrophobicContact CD1-CD1 4.39Å; L100-I202 HydrophobicContact CD2-CD1 4.03Å; L100-I202 HydrophobicContact CD2-CG1 4.15Å; S101-I202 PolarHBondContact N-O 2.94Å; S101-I202 WeakPolarHBondContact O-CB 3.32Å; I199-I202 HydrophobicContact CG1-CD1 4.25Å; I199-I202 HydrophobicContact CG1-CG1 4.25Å; I199-I202 WeakPolarHBondContact O-CG1 3.38Å; I199-I202 PolarHBondContact O-N 2.83Å; I199-I202 VanDerWaalsContact O-N 3.14Å; W200-I202 VanDerWaalsContact C-N 3.26Å; W200-I202 PolarHBondContact O-N 3.47Å; I202-N204 PolarHBondContact O-N 3.16Å
203I98.9Very high98.7Very high0 Ų042.6 Ų42.60%022%0.224CC..BIsolated β-bridgetrans-67.3126.6177.3-63.3-51.4000110.8L100 G104 G105 L175 I199 W200 W205 V208L100-I203 HydrophobicContact CD2-CD1 3.97Å; G104-I203 CarbonylContact C-O 3.55Å; G104-I203 WeakPolarHBondContact CA-O 3.41Å; G105-I203 PolarHBondContact N-O 3.06Å; L175-I203 HydrophobicContact CD1-CD1 3.72Å; L175-I203 HydrophobicContact CD1-CG1 4.45Å; L175-I203 HydrophobicContact CD1-CG2 4.04Å; L175-I203 HydrophobicContact CD2-CG2 4.18Å; I199-I203 HydrophobicContact CG1-CD1 4.33Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 3.26Å; W200-I203 HydrophobicContact CE3-CG1 4.31Å; I203-W205 HydrophobicContact CB-CZ2 4.24Å; I203-W205 HydrophobicContact CG2-CD2 3.88Å; I203-W205 HydrophobicContact CG2-CE3 4.13Å; I203-W205 HydrophobicContact CG2-CG 4.43Å; I203-W205 HydrophobicContact CG2-CH2 3.94Å; I203-W205 HydrophobicContact CG2-CZ2 3.73Å; I203-W205 HydrophobicContact CG2-CZ3 4.17Å; I203-W205 PolarHBondContact O-N 3.43Å; I203-V208 HydrophobicContact CG2-CG2 4.33Å
204N98.8Very high98.6Very high37 Ų3744.4 Ų44.420%0.19823%0.23CC..  trans-84.284.3175.8-175-3000111.1H98 N99 I202 S206 D207 V208H98-N204 WeakPolarHBondContact O-CB 3.48Å; H98-N204 PolarHBondContact O-ND2 2.99Å; N99-N204 PolarHBondContact O-N 3.38Å; I202-N204 PolarHBondContact O-N 3.16Å; N204-S206 PolarHBondContact O-N 3.44Å; N204-S206 VanDerWaalsContact O-N 3.15Å; N204-S206 WeakPolarHBondContact OD1-CB 3.26Å; N204-S206 PolarHBondContact OD1-N 2.65Å; N204-D207 HydrophobicContact CB-CB 4.26Å; N204-D207 PolarHBondContact O-N 2.98Å; N204-D207 VanDerWaalsContact O-N 3.09Å; N204-D207 PolarHBondContact OD1-N 2.96Å; N204-V208 WeakPolarHBondContact O-CG2 3.37Å; N204-V208 PolarHBondContact O-N 3.19Å
205W98.7Very high98.6Very high21 Ų2141.3 Ų41.38%0.0822%0.216CC..Hα-helixtrans-59.7-24.8178.6-68.6117.7000114G105 G106 P108 L112 F123 F126 L175 W200 I203 V208 A209G105-W205 PolarHBondContact O-NE1 3.29Å; G106-W205 PolarHBondContact O-NE1 3.03Å; P108-W205 HydrophobicContact CB-CB 4.26Å; P108-W205 HydrophobicContact CB-CD2 3.79Å; P108-W205 HydrophobicContact CB-CE3 3.68Å; P108-W205 HydrophobicContact CB-CG 4.03Å; P108-W205 HydrophobicContact CB-CZ3 4.4Å; P108-W205 HydrophobicContact CG-CD2 4.06Å; P108-W205 HydrophobicContact CG-CE3 3.92Å; P108-W205 HydrophobicContact CG-CZ3 4.2Å; L112-W205 HydrophobicContact CD2-CE3 4.01Å; L112-W205 HydrophobicContact CD2-CZ3 4.46Å; F123-W205 AromaticContact CE2-CH2 3.77Å; F123-W205 HydrophobicContact CE2-CH2 3.77Å; F123-W205 AromaticContact CE2-CZ2 3.42Å; F123-W205 HydrophobicContact CE2-CZ2 3.42Å; F123-W205 VanDerWaalsContact CE2-CZ2 3.42Å; F123-W205 HydrophobicContact CZ-CH2 4.35Å; F123-W205 AromaticContact CZ-CZ2 3.62Å; F123-W205 HydrophobicContact CZ-CZ2 3.62Å; F126-W205 AromaticContact CE1-CH2 3.84Å; F126-W205 HydrophobicContact CE1-CH2 3.84Å; F126-W205 HydrophobicContact CE1-CZ3 4.45Å; F126-W205 HydrophobicContact CZ-CH2 4.48Å; L175-W205 HydrophobicContact CD2-CH2 3.89Å; L175-W205 HydrophobicContact CD2-CZ3 4.21Å; W200-W205 HydrophobicContact CE3-CZ2 4.09Å; W200-W205 AromaticContact CZ3-CH2 3.85Å; W200-W205 HydrophobicContact CZ3-CH2 3.85Å; W200-W205 AromaticContact CZ3-CZ2 3.84Å; W200-W205 HydrophobicContact CZ3-CZ2 3.84Å; I203-W205 HydrophobicContact CB-CZ2 4.24Å; I203-W205 HydrophobicContact CG2-CD2 3.88Å; I203-W205 HydrophobicContact CG2-CE3 4.13Å; I203-W205 HydrophobicContact CG2-CG 4.43Å; I203-W205 HydrophobicContact CG2-CH2 3.94Å; I203-W205 HydrophobicContact CG2-CZ2 3.73Å; I203-W205 HydrophobicContact CG2-CZ3 4.17Å; I203-W205 PolarHBondContact O-N 3.43Å; W205-V208 HydrophobicContact CE3-CB 4.09Å; W205-V208 HydrophobicContact CE3-CG1 4.22Å; W205-V208 HydrophobicContact CE3-CG2 4.23Å; W205-V208 HydrophobicContact CZ3-CB 4.43Å; W205-V208 HydrophobicContact CZ3-CG1 4.15Å; W205-V208 HydrophobicContact CZ3-CG2 4.41Å; W205-A209 WeakPolarHBondContact O-CB 3.29Å; W205-A209 PolarHBondContact O-N 3.29Å
206S98.4Very high98.3Very high95 Ų9546.6 Ų46.666%0.66424%0.235SC*.Hα-helixtrans-66.9-40.6174.8-57.90000112.2N204 K210N204-S206 PolarHBondContact O-N 3.44Å; N204-S206 VanDerWaalsContact O-N 3.15Å; N204-S206 WeakPolarHBondContact OD1-CB 3.26Å; N204-S206 PolarHBondContact OD1-N 2.65Å; S206-K210 WeakPolarHBondContact O-CB 3.4Å; S206-K210 PolarHBondContact O-N 3.02Å
207D98.7Very high97.7Very high21 Ų2157.2 Ų57.211%0.11228%0.282CS..Hα-helixtrans-67.6-45.5174-178.367000111.4H98 N99 N204 A209 K210 R211H98-D207 VanDerWaalsContact O-CB 3.23Å; H98-D207 WeakPolarHBondContact O-CB 3.44Å; N99-D207 PolarHBondContact ND2-OD2 3.35Å; N204-D207 HydrophobicContact CB-CB 4.26Å; N204-D207 PolarHBondContact O-N 2.98Å; N204-D207 VanDerWaalsContact O-N 3.09Å; N204-D207 PolarHBondContact OD1-N 2.96Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 3.31Å; D207-K210 WeakPolarHBondContact O-CB 3.41Å; D207-K210 PolarHBondContact O-N 3.35Å; D207-R211 WeakPolarHBondContact O-CG 3.32Å; D207-R211 PolarHBondContact O-N 3.44Å; D207-R211 IonicContact OD1-NE 3.62Å; D207-R211 IonicContact OD2-CZ 3.46Å; D207-R211 IonicContact OD2-NE 2.81Å; D207-R211 PolarHBondContact OD2-NE 3.22Å; D207-R211 IonicContact OD2-NH2 3.81Å
208V98.9Very high97.6Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-59.5-42.6178-175.10000110.9L112 L174 L175 I203 N204 W205 R211 F212L112-V208 HydrophobicContact CD2-CB 4Å; L112-V208 HydrophobicContact CD2-CG1 3.63Å; L174-V208 HydrophobicContact CB-CG1 3.92Å; L175-V208 HydrophobicContact CB-CG1 4.14Å; L175-V208 HydrophobicContact CB-CG2 3.96Å; L175-V208 HydrophobicContact CD1-CG2 4.31Å; I203-V208 HydrophobicContact CG2-CG2 4.33Å; N204-V208 WeakPolarHBondContact O-CG2 3.37Å; N204-V208 PolarHBondContact O-N 3.19Å; W205-V208 HydrophobicContact CE3-CB 4.09Å; W205-V208 HydrophobicContact CE3-CG1 4.22Å; W205-V208 HydrophobicContact CE3-CG2 4.23Å; W205-V208 HydrophobicContact CZ3-CB 4.43Å; W205-V208 HydrophobicContact CZ3-CG1 4.15Å; W205-V208 HydrophobicContact CZ3-CG2 4.41Å; V208-R211 PolarHBondContact O-N 3.37Å; V208-F212 WeakPolarHBondContact O-CB 3.44Å; V208-F212 PolarHBondContact O-N 3.01Å
209A98.7Very high97.5Very high26 Ų2654.2 Ų54.222%0.21527%0.268CS..Hα-helixtrans-64.9-43.3176.400000112.1L112 W205 D207 R211 F212 D213L112-A209 HydrophobicContact CB-CB 4.31Å; L112-A209 HydrophobicContact CD2-CB 4.08Å; W205-A209 WeakPolarHBondContact O-CB 3.29Å; W205-A209 PolarHBondContact O-N 3.29Å; D207-A209 VanDerWaalsContact C-N 3.3Å; D207-A209 PolarHBondContact O-N 3.31Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 2.96Å; A209-F212 WeakPolarHBondContact O-CB 3.49Å; A209-F212 PolarHBondContact O-N 2.89Å; A209-F212 VanDerWaalsContact O-N 3.16Å; A209-D213 PolarHBondContact O-N 3.38Å
210K98.5Very high97.5Very high134 Ų13457.2 Ų57.258%0.58328%0.283SS*.Hα-helixtrans-59.9-42.8175.4-177.9-178.3178.2-1770111.8S206 D207 F212 D213 L214S206-K210 WeakPolarHBondContact O-CB 3.4Å; S206-K210 PolarHBondContact O-N 3.02Å; D207-K210 WeakPolarHBondContact O-CB 3.41Å; D207-K210 PolarHBondContact O-N 3.35Å; K210-F212 VanDerWaalsContact C-N 3.33Å; K210-D213 PolarHBondContact O-N 3Å; K210-L214 HydrophobicContact CG-CD1 4.32Å; K210-L214 VanDerWaalsContact O-CG 3.32Å; K210-L214 WeakPolarHBondContact O-CG 3.49Å; K210-L214 PolarHBondContact O-N 3.26Å
211R98.6Very high97.4Very high54 Ų5460.4 Ų60.420%0.20430%0.299CS..Hα-helixtrans-63.8-40.2175.2-70.7173.4-179.5-76.2-4.4111.7L174 D207 V208 A209 L214 S215L174-R211 HydrophobicContact CD2-CB 3.97Å; L174-R211 WeakPolarHBondContact O-CD 3.39Å; D207-R211 WeakPolarHBondContact O-CG 3.32Å; D207-R211 PolarHBondContact O-N 3.44Å; D207-R211 IonicContact OD1-NE 3.62Å; D207-R211 IonicContact OD2-CZ 3.46Å; D207-R211 IonicContact OD2-NE 2.81Å; D207-R211 PolarHBondContact OD2-NE 3.22Å; D207-R211 IonicContact OD2-NH2 3.81Å; V208-R211 PolarHBondContact O-N 3.37Å; A209-R211 VanDerWaalsContact C-N 3.33Å; A209-R211 PolarHBondContact O-N 2.96Å; R211-L214 PolarHBondContact O-N 3.2Å; R211-S215 WeakPolarHBondContact O-CB 3.4Å; R211-S215 PolarHBondContact O-N 3.09Å; R211-S215 PolarHBondContact O-OG 2.97Å
212F98.6Very high97.3Very high8 Ų857.9 Ų57.94%0.03528%0.284CS..Hα-helixtrans-61.8-45.4175.8178.7-118000111.3L112 A115 Y147 L154 L174 V208 A209 K210 L214 S215 R216L112-F212 HydrophobicContact CB-CD1 4.11Å; L112-F212 HydrophobicContact CD1-CB 4.18Å; L112-F212 HydrophobicContact CD1-CD1 4.26Å; L112-F212 HydrophobicContact CD1-CD2 4.47Å; L112-F212 HydrophobicContact CD1-CG 4.06Å; A115-F212 HydrophobicContact CB-CE1 4.12Å; A115-F212 HydrophobicContact CB-CE2 4.24Å; A115-F212 HydrophobicContact CB-CZ 3.55Å; Y147-F212 HydrophobicContact CD2-CD2 4.21Å; Y147-F212 AromaticContact CD2-CE2 3.75Å; Y147-F212 HydrophobicContact CD2-CE2 3.75Å; Y147-F212 HydrophobicContact CE2-CE2 4.1Å; L154-F212 HydrophobicContact CD2-CD2 3.97Å; L154-F212 HydrophobicContact CD2-CE2 3.79Å; L154-F212 HydrophobicContact CG-CE2 4.5Å; L174-F212 HydrophobicContact CD1-CB 4.14Å; L174-F212 HydrophobicContact CD1-CD2 3.87Å; L174-F212 HydrophobicContact CD1-CG 4.43Å; L174-F212 HydrophobicContact CD2-CB 4.25Å; V208-F212 WeakPolarHBondContact O-CB 3.44Å; V208-F212 PolarHBondContact O-N 3.01Å; A209-F212 WeakPolarHBondContact O-CB 3.49Å; A209-F212 PolarHBondContact O-N 2.89Å; A209-F212 VanDerWaalsContact O-N 3.16Å; K210-F212 VanDerWaalsContact C-N 3.33Å; F212-L214 PolarHBondContact O-N 3.1Å; F212-S215 PolarHBondContact O-N 3.11Å; F212-R216 HydrophobicContact CE2-CG 4.28Å; F212-R216 HydrophobicContact CZ-CG 4.44Å; F212-R216 WeakPolarHBondContact O-CG 3.33Å; F212-R216 PolarHBondContact O-N 3.07Å
213D98.1Very high97.2Very high72 Ų7261.1 Ų61.139%0.38530%0.3SS..Hα-helixtrans-63-40.9177.1-69.2-17.9000112.7A209 K210 S215 R216A209-D213 PolarHBondContact O-N 3.38Å; K210-D213 PolarHBondContact O-N 3Å; D213-S215 VanDerWaalsContact C-N 3.33Å; D213-R216 PolarHBondContact O-N 3.26Å; D213-R216 IonicContact OD1-CZ 3.22Å; D213-R216 IonicContact OD1-NE 3.17Å; D213-R216 IonicContact OD1-NH2 3.56Å; D213-R216 PolarHBondContact OD1-NH2 3.44Å
214L97.9Very high97.1Very high96 Ų9665.5 Ų65.550%0.50332%0.322SS..Hα-helixtrans-66.8-34.7175.5-70.8171.7000112.5K210 R211 F212 R216 K217K210-L214 HydrophobicContact CG-CD1 4.32Å; K210-L214 VanDerWaalsContact O-CG 3.32Å; K210-L214 WeakPolarHBondContact O-CG 3.49Å; K210-L214 PolarHBondContact O-N 3.26Å; R211-L214 PolarHBondContact O-N 3.2Å; F212-L214 PolarHBondContact O-N 3.1Å; L214-R216 PolarHBondContact O-N 3.19Å; L214-K217 PolarHBondContact O-N 3.47Å
215S97.3Very high97Very high20 Ų2067.7 Ų67.714%0.1433%0.331CS..Hα-helixtrans-73.1-16.1-178-59.90000113.7Y147 K172 R211 F212 D213Y147-S215 WeakPolarHBondContact CE1-O 3.32Å; K172-S215 WeakPolarHBondContact CB-OG 3.44Å; R211-S215 WeakPolarHBondContact O-CB 3.4Å; R211-S215 PolarHBondContact O-N 3.09Å; R211-S215 PolarHBondContact O-OG 2.97Å; F212-S215 PolarHBondContact O-N 3.11Å; D213-S215 VanDerWaalsContact C-N 3.33Å
216R93.1Very high96.8Very high110 Ų11071.6 Ų71.642%0.41535%0.352SS..THydrogen-bonded Turntrans-93-7-179.7-68.8-173.7-63.1158.80.2114.4Y147 F212 D213 L214Y147-R216 HydrophobicContact CE1-CG 4.27Å; Y147-R216 HydrophobicContact CE2-CG 3.99Å; F212-R216 HydrophobicContact CE2-CG 4.28Å; F212-R216 HydrophobicContact CZ-CG 4.44Å; F212-R216 WeakPolarHBondContact O-CG 3.33Å; F212-R216 PolarHBondContact O-N 3.07Å; D213-R216 PolarHBondContact O-N 3.26Å; D213-R216 IonicContact OD1-CZ 3.22Å; D213-R216 IonicContact OD1-NE 3.17Å; D213-R216 IonicContact OD1-NH2 3.56Å; D213-R216 PolarHBondContact OD1-NH2 3.44Å; L214-R216 PolarHBondContact O-N 3.19Å
217K85.4Confident96.7Very high223 Ų22369.5 Ų69.597%0.9732%0.324SS*.  trans-82.40177.3-66.2-179.1-179.5-178.70110.7L214L214-K217 PolarHBondContact O-N 3.47Å

Retrieved 217 of 217 residues in 45.1 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).