A0A096NGG9_PAPAN Loading...

Carboxypeptidase A4

AlphaFold DB , UniProt , Accession A0A096NGG9, Species PAPAN (Papio anubis, Olive baboon), Gene CPA4, Length 421 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
1M40.3Very low34.7Very low223 Ų223166.2 Ų166.2100%1.09984%0.844SS**  0111.90-82.7156.269.700108.4
2R32.6Very low34.3Very low251 Ų251157.4 Ų157.495%0.94783%0.826SS**  trans-73.5124.6175.7-87.2174.6160.8174.3-6.5108.7
3W30.3Very low34.4Very low233 Ų233153 Ų15388%0.88382%0.817SS**  trans-93.5109.7170-83.656.4000108.4
4T37.5Very low34.3Very low122 Ų122150.9 Ų150.975%0.74882%0.82SS**  trans-86.1113173.5-16.30000107.8F6T4-F6 PolarHBondContact O-N 2.86Å
5L32.7Very low34.8Very low160 Ų160149.2 Ų149.284%0.83881%0.808SS**  trans-72.9114.7169-102.9107.4000108.9I7L5-I7 PolarHBondContact O-N 3.49Å
6F32.4Very low35.8Very low200 Ų200145.9 Ų145.988%0.87780%0.799SS**  trans-78.5108.9164.6-93.1-89.8000108.8T4 G8T4-F6 PolarHBondContact O-N 2.86Å; F6-G8 PolarHBondContact O-N 2.91Å
7I37.2Very low37.7Very low156 Ų156145.8 Ų145.880%0.880%0.797SS**  trans-79.9101.3163.9-63.4173.8000106.1L5 A9L5-I7 PolarHBondContact O-N 3.49Å; I7-A9 PolarHBondContact O-N 3.21Å
8G31.4Very low40.5Very low65 Ų65140.9 Ų140.967%0.6777%0.765SS**  trans-67.2109.4169.600000109.3F6 L10F6-G8 PolarHBondContact O-N 2.91Å; G8-L10 PolarHBondContact O-N 2.95Å
9A34.2Very low43.2Very low84 Ų84138.5 Ų138.569%0.69475%0.748SS**  trans-67.6100.6165.100000108I7 I11I7-A9 PolarHBondContact O-N 3.21Å; A9-I11 PolarHBondContact O-N 3.46Å
10L34.1Very low45.8Very low175 Ų175136.9 Ų136.992%0.91673%0.734SS**  trans-65.193.3160.6-88.8152.7000106.8G8 G12G8-L10 PolarHBondContact O-N 2.95Å; L10-G12 PolarHBondContact O-N 2.79Å
11I38.8Very low48.2Very low159 Ų159130.7 Ų130.782%0.81570%0.7SS**  trans-68.489.9163.2-55.5177.8000104.9A9 S13A9-I11 PolarHBondContact O-N 3.46Å; I11-S13 PolarHBondContact O-N 3.27Å; I11-S13 VanDerWaalsContact O-N 3.08Å
12G30.6Very low50.9Low61 Ų61126.1 Ų126.163%0.62967%0.674SS**  trans-56.6114.7166.900000107.3L10 S14L10-G12 PolarHBondContact O-N 2.79Å; G12-S14 PolarHBondContact O-N 3.14Å
13S35.3Very low53.8Low100 Ų100115.5 Ų115.570%0.69964%0.642SS**  trans-51.8107.7163.136.50000107.1I11 I15I11-S13 PolarHBondContact O-N 3.27Å; I11-S13 VanDerWaalsContact O-N 3.08Å; S13-I15 PolarHBondContact O-N 3.21Å
14S33Very low57Low123 Ų123105.1 Ų105.186%0.8660%0.604SS**  trans-67.782.7170.7-149.60000106.3G12 C16G12-S14 PolarHBondContact O-N 3.14Å; S14-C16 PolarHBondContact O-N 3.32Å; S14-C16 VanDerWaalsContact O-N 3.11Å
15I42.3Very low59.9Low126 Ų126100.7 Ų100.765%0.64658%0.575SS**  trans-63.6108.5163.8-63.3169.3000103S13 D17S13-I15 PolarHBondContact O-N 3.21Å; I15-D17 PolarHBondContact O-N 3.4Å
16C50.5Low63Low97 Ų9793.2 Ų93.266%0.65554%0.536SS*.  trans-58.6113.5167-142.80000105.5S14 R18S14-C16 PolarHBondContact O-N 3.32Å; S14-C16 VanDerWaalsContact O-N 3.11Å; C16-R18 PolarHBondContact O-N 2.96Å
17D67.6Low66.1Low143 Ų14383.7 Ų83.777%0.76549%0.494SS*.PPolyproline II helixtrans-61.1133.6-177.2-73.8-39.7000109.6I15 E19I15-D17 PolarHBondContact O-N 3.4Å; D17-E19 PolarHBondContact O-N 3.19Å
18R88.5Confident68.9Low58 Ų5878.9 Ų78.922%0.21947%0.466CS..PPolyproline II helixtrans-53.9137.5173.4-177.1-179.7174.2-165.7-2.5109.1C16 K20 D102 Q234C16-R18 PolarHBondContact O-N 2.96Å; R18-K20 PolarHBondContact O-N 2.66Å; R18-D102 IonicContact CZ-OD1 3.58Å; R18-D102 IonicContact CZ-OD2 3.17Å; R18-D102 IonicContact NH1-OD1 2.72Å; R18-D102 PolarHBondContact NH1-OD1 2.74Å; R18-D102 IonicContact NH1-OD2 3.67Å; R18-D102 PolarHBondContact NH1-OD2 2.77Å; R18-D102 IonicContact NH2-OD1 3.61Å; R18-D102 PolarHBondContact NH2-OD1 2.7Å; R18-D102 IonicContact NH2-OD2 2.94Å; R18-Q234 WeakPolarHBondContact CG-O 3.46Å
19E92.1Very high71.8Confident96 Ų9675.9 Ų75.945%0.44944%0.435SS..PPolyproline II helixtrans-58.1135.4-178.5-165.6159.7-178.600111D17 F21 Q234 N235D17-E19 PolarHBondContact O-N 3.19Å; E19-F21 HydrophobicContact CB-CE2 4.27Å; E19-F21 HydrophobicContact CB-CZ 4.27Å; E19-F21 HydrophobicContact CG-CE1 4.32Å; E19-F21 HydrophobicContact CG-CE2 4.2Å; E19-F21 HydrophobicContact CG-CZ 3.87Å; E19-Q234 WeakPolarHBondContact CB-O 3.45Å; E19-Q234 PolarHBondContact N-O 3.42Å; E19-N235 HydrophobicContact CB-CB 4.23Å; E19-N235 WeakPolarHBondContact OE2-CB 3.45Å; E19-N235 PolarHBondContact OE2-ND2 3.39Å
20K94.8Very high74.4Confident106 Ų10675.7 Ų75.746%0.46142%0.422SS..  trans-117.3145.2-177.5-65.4-61.3-173.7175.10109.9R18 F22R18-K20 PolarHBondContact O-N 2.66Å; K20-F22 HydrophobicContact CB-CD2 3.78Å; K20-F22 HydrophobicContact CB-CE2 3.79Å; K20-F22 HydrophobicContact CD-CE2 4.05Å; K20-F22 HydrophobicContact CD-CZ 4.46Å; K20-F22 HydrophobicContact CG-CD2 4.37Å; K20-F22 HydrophobicContact CG-CE2 3.86Å
21F96Very high76.9Confident7 Ų767.8 Ų67.83%0.03138%0.381CS..  trans-123.834-171.5-58.3-89.4000111.6E19 G23 D24 L67 L94 L98 L237E19-F21 HydrophobicContact CB-CE2 4.27Å; E19-F21 HydrophobicContact CB-CZ 4.27Å; E19-F21 HydrophobicContact CG-CE1 4.32Å; E19-F21 HydrophobicContact CG-CE2 4.2Å; E19-F21 HydrophobicContact CG-CZ 3.87Å; F21-G23 PolarHBondContact O-N 2.91Å; F21-G23 VanDerWaalsContact O-N 3.11Å; F21-D24 HydrophobicContact CB-CB 4.1Å; F21-D24 WeakPolarHBondContact CD1-OD2 3.16Å; F21-D24 WeakPolarHBondContact O-CB 3.44Å; F21-D24 PolarHBondContact O-N 3.17Å; F21-L67 HydrophobicContact CD1-CD2 4.25Å; F21-L67 HydrophobicContact CE1-CD2 4.34Å; F21-L94 HydrophobicContact CB-CB 4.05Å; F21-L94 HydrophobicContact CB-CD2 3.84Å; F21-L94 HydrophobicContact CB-CG 4.29Å; F21-L94 HydrophobicContact CD1-CD2 3.82Å; F21-L94 HydrophobicContact CD2-CD2 4.44Å; F21-L94 HydrophobicContact CE1-CD2 4.49Å; F21-L94 HydrophobicContact CG-CD2 3.77Å; F21-L98 HydrophobicContact CB-CD1 4.23Å; F21-L98 HydrophobicContact CD2-CD1 3.25Å; F21-L98 HydrophobicContact CE2-CD1 3.89Å; F21-L98 HydrophobicContact CG-CD1 4.04Å; F21-L237 HydrophobicContact CD1-CD1 4.13Å; F21-L237 HydrophobicContact CE1-CD1 3.55Å; F21-L237 HydrophobicContact CE1-CG 4.12Å; F21-L237 HydrophobicContact CZ-CB 4.48Å; F21-L237 HydrophobicContact CZ-CD1 3.91Å; F21-L237 HydrophobicContact CZ-CG 3.95Å
22F96.4Very high79.1Confident127 Ų12766.2 Ų66.256%0.55737%0.365SS*.THydrogen-bonded Turntrans-58115.6-175.5-72.3-70.1000111.4K20 D24 S70 Q95K20-F22 HydrophobicContact CB-CD2 3.78Å; K20-F22 HydrophobicContact CB-CE2 3.79Å; K20-F22 HydrophobicContact CD-CE2 4.05Å; K20-F22 HydrophobicContact CD-CZ 4.46Å; K20-F22 HydrophobicContact CG-CD2 4.37Å; K20-F22 HydrophobicContact CG-CE2 3.86Å; F22-D24 PolarHBondContact O-N 2.99Å; F22-S70 WeakPolarHBondContact O-CB 3.45Å; F22-S70 PolarHBondContact O-OG 3.45Å; F22-Q95 HydrophobicContact CD1-CB 3.98Å; F22-Q95 HydrophobicContact CD1-CG 3.58Å; F22-Q95 HydrophobicContact CE1-CB 4.39Å; F22-Q95 HydrophobicContact CE1-CG 3.52Å; F22-Q95 HydrophobicContact CG-CB 4.42Å; F22-Q95 HydrophobicContact CG-CG 4.15Å; F22-Q95 HydrophobicContact CZ-CG 4.03Å
23G94.7Very high81.7Confident27 Ų2766.3 Ų66.328%0.27835%0.351SS..THydrogen-bonded Turntrans71.38.4179.900000114.3F21 D93F21-G23 PolarHBondContact O-N 2.91Å; F21-G23 VanDerWaalsContact O-N 3.11Å; G23-D93 PolarHBondContact N-OD1 3.23Å
24D97.9Very high84.1Confident15 Ų1563.7 Ų63.78%0.0834%0.339CS..  trans-68.3138.1169.7-69.97.2000108.9F21 F22 L67 P69 S70 L94F21-D24 HydrophobicContact CB-CB 4.1Å; F21-D24 WeakPolarHBondContact CD1-OD2 3.16Å; F21-D24 WeakPolarHBondContact O-CB 3.44Å; F21-D24 PolarHBondContact O-N 3.17Å; F22-D24 PolarHBondContact O-N 2.99Å; D24-L67 HydrophobicContact CB-CD1 3.87Å; D24-P69 WeakPolarHBondContact OD1-CA 3.49Å; D24-S70 PolarHBondContact OD1-N 3.34Å; D24-S70 PolarHBondContact OD1-OG 3.49Å; D24-L94 HydrophobicContact CB-CB 4.34Å; D24-L94 PolarHBondContact O-N 2.74Å
25Q98.3Very high86.8Confident29 Ų2962 Ų6214%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-119.7144.3-174-51.2-159.9-59.600110.6F27 V68 L73 V89 I91 E92Q25-F27 HydrophobicContact CB-CD1 4.07Å; Q25-F27 HydrophobicContact CB-CE1 3.59Å; Q25-F27 HydrophobicContact CG-CE1 4.37Å; Q25-V68 PolarHBondContact N-O 2.96Å; Q25-V68 PolarHBondContact O-N 2.95Å; Q25-L73 HydrophobicContact CB-CD2 3.79Å; Q25-L73 HydrophobicContact CG-CD1 3.9Å; Q25-L73 HydrophobicContact CG-CD2 3.63Å; Q25-L73 HydrophobicContact CG-CG 4.42Å; Q25-V89 HydrophobicContact CB-CG1 4.26Å; Q25-I91 WeakPolarHBondContact CA-O 3.46Å; Q25-E92 WeakPolarHBondContact CG-O 3.49Å; Q25-E92 PolarHBondContact NE2-O 3.07Å
26V97.7Very high89Confident3 Ų356.6 Ų56.62%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-96.5118.9168.1-1780000108.9W54 D65 V66 L67 A90 I91 L94V26-W54 HydrophobicContact CG1-CE3 4.29Å; V26-W54 HydrophobicContact CG2-CD2 4.41Å; V26-W54 HydrophobicContact CG2-CE3 4.23Å; V26-W54 HydrophobicContact CG2-CH2 3.9Å; V26-W54 HydrophobicContact CG2-CZ2 4.06Å; V26-W54 HydrophobicContact CG2-CZ3 3.98Å; V26-D65 HydrophobicContact CG1-CB 4.32Å; V26-V66 WeakPolarHBondContact CA-O 3.4Å; V26-L67 HydrophobicContact CG2-CB 4.45Å; V26-L67 HydrophobicContact CG2-CD1 3.89Å; V26-A90 PolarHBondContact O-N 2.81Å; V26-I91 HydrophobicContact CB-CB 3.95Å; V26-I91 HydrophobicContact CB-CD1 4.14Å; V26-I91 HydrophobicContact CB-CG1 4.26Å; V26-I91 HydrophobicContact CG2-CB 4.08Å; V26-I91 HydrophobicContact CG2-CD1 3.86Å; V26-I91 HydrophobicContact CG2-CG1 4.39Å; V26-I91 PolarHBondContact N-O 3.22Å; V26-I91 PolarHBondContact O-N 3.2Å; V26-L94 HydrophobicContact CG2-CD1 4.32Å
27F97.2Very high90.7Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-95.2134.2175-68.9-1.2000110.5Q25 I29 D65 V66 V68 L73 V76 K77 L80 Y87 A88 V89Q25-F27 HydrophobicContact CB-CD1 4.07Å; Q25-F27 HydrophobicContact CB-CE1 3.59Å; Q25-F27 HydrophobicContact CG-CE1 4.37Å; F27-I29 HydrophobicContact CB-CD1 4.49Å; F27-I29 HydrophobicContact CB-CG1 4.22Å; F27-D65 CarbonylContact O-C 3.52Å; F27-D65 VanDerWaalsContact O-CA 3.31Å; F27-D65 WeakPolarHBondContact O-CA 3.42Å; F27-V66 PolarHBondContact N-O 3.08Å; F27-V66 PolarHBondContact O-N 2.95Å; F27-V68 HydrophobicContact CB-CG2 4.46Å; F27-V68 HydrophobicContact CD2-CG2 3.7Å; F27-V68 HydrophobicContact CE2-CB 4.43Å; F27-V68 HydrophobicContact CE2-CG2 3.9Å; F27-V68 HydrophobicContact CG-CG2 3.99Å; F27-V68 HydrophobicContact CZ-CB 4.47Å; F27-V68 HydrophobicContact CZ-CG2 4.36Å; F27-L73 HydrophobicContact CE1-CD2 3.93Å; F27-L73 HydrophobicContact CZ-CD2 3.56Å; F27-V76 HydrophobicContact CD2-CG1 4.01Å; F27-V76 HydrophobicContact CE2-CB 4.48Å; F27-V76 HydrophobicContact CE2-CG1 3.81Å; F27-K77 HydrophobicContact CE2-CG 3.87Å; F27-K77 HydrophobicContact CZ-CD 4.27Å; F27-K77 HydrophobicContact CZ-CG 3.82Å; F27-L80 HydrophobicContact CD2-CD1 3.88Å; F27-L80 HydrophobicContact CE2-CD1 4.29Å; F27-Y87 HydrophobicContact CB-CD2 4.4Å; F27-Y87 HydrophobicContact CD1-CD2 4.19Å; F27-Y87 HydrophobicContact CD1-CE2 4.4Å; F27-Y87 AromaticContact CD2-CD2 3.83Å; F27-Y87 HydrophobicContact CD2-CD2 3.83Å; F27-Y87 HydrophobicContact CD2-CE2 4.16Å; F27-Y87 HydrophobicContact CD2-CG 4.38Å; F27-Y87 HydrophobicContact CE1-CD2 4.5Å; F27-Y87 HydrophobicContact CE1-CE2 4.26Å; F27-Y87 HydrophobicContact CE2-CD2 4.17Å; F27-Y87 HydrophobicContact CE2-CE2 4.01Å; F27-Y87 AromaticContact CG-CD2 3.88Å; F27-Y87 HydrophobicContact CG-CD2 3.88Å; F27-Y87 HydrophobicContact CG-CE2 4.38Å; F27-Y87 HydrophobicContact CZ-CE2 4.1Å; F27-A88 WeakPolarHBondContact CA-O 3.24Å; F27-V89 HydrophobicContact CD1-CG2 4.1Å; F27-V89 HydrophobicContact CE1-CG2 3.9Å
28R95.4Very high91.7Very high55 Ų5550.7 Ų50.721%0.20826%0.26CS..EExtended strand (participates in β ladder)trans-100.1112.9167.9172.7154.7-66.6170.10.2109.1P63 V64 D65 Y87 A88 A90 T386R28-P63 HydrophobicContact CG-CB 3.68Å; R28-P63 HydrophobicContact CG-CG 4.45Å; R28-V64 WeakPolarHBondContact CA-O 3.26Å; R28-D65 WeakPolarHBondContact CB-OD1 3.36Å; R28-D65 IonicContact CZ-OD1 3.56Å; R28-D65 IonicContact CZ-OD2 3.35Å; R28-D65 IonicContact NE-OD1 3.49Å; R28-D65 PolarHBondContact NE-OD1 2.74Å; R28-D65 IonicContact NE-OD2 3.51Å; R28-D65 IonicContact NH2-OD1 3.69Å; R28-D65 PolarHBondContact NH2-OD1 2.9Å; R28-D65 IonicContact NH2-OD2 2.9Å; R28-D65 PolarHBondContact NH2-OD2 3.32Å; R28-Y87 CarbonylContact O-C 3.59Å; R28-Y87 WeakPolarHBondContact O-CA 3.42Å; R28-A88 PolarHBondContact N-O 3.08Å; R28-A88 PolarHBondContact O-N 3.37Å; R28-A90 HydrophobicContact CB-CB 4.29Å; R28-T386 PolarHBondContact NH1-O 3.48Å; R28-T386 PolarHBondContact NH2-O 3.42Å
29I93.3Very high91.7Very high2 Ų250.2 Ų50.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-111.7124.6-174.3-53.7166.2000108.8F27 L40 P63 V64 V66 L80F27-I29 HydrophobicContact CB-CD1 4.49Å; F27-I29 HydrophobicContact CB-CG1 4.22Å; I29-L40 HydrophobicContact CB-CD2 4.14Å; I29-L40 HydrophobicContact CD1-CD1 3.7Å; I29-L40 HydrophobicContact CD1-CD2 4.22Å; I29-L40 HydrophobicContact CG2-CD2 3.86Å; I29-P63 WeakPolarHBondContact O-CA 3.3Å; I29-V64 PolarHBondContact N-O 3.13Å; I29-V64 PolarHBondContact O-N 2.83Å; I29-V66 HydrophobicContact CD1-CG2 4.47Å; I29-L80 HydrophobicContact CD1-CD1 4.15Å; I29-L80 HydrophobicContact CD1-CD2 3.99Å; I29-L80 HydrophobicContact CG1-CD1 4.41Å; I29-L80 HydrophobicContact CG2-CD2 4.45Å
30N87.7Confident91.6Very high81 Ų8145.7 Ų45.743%0.43324%0.239SC..  trans-89131.9175.3-68.3-35.8000109.3E86N30-E86 PolarHBondContact N-O 3.32Å
31V86.6Confident91.2Very high8 Ų842.4 Ų42.45%0.04823%0.229CC..  trans-120.5129.2177.4-68.70000110E36 I37 L40 F60 V64V31-E36 WeakPolarHBondContact CA-OE2 3.48Å; V31-E36 HydrophobicContact CB-CB 4.41Å; V31-E36 HydrophobicContact CG1-CB 4.39Å; V31-I37 HydrophobicContact CB-CG1 4.03Å; V31-I37 HydrophobicContact CG1-CG1 4.49Å; V31-I37 HydrophobicContact CG2-CG1 3.97Å; V31-L40 HydrophobicContact CG1-CD2 3.75Å; V31-F60 CarbonylContact O-C 3.58Å; V31-V64 HydrophobicContact CG2-CG2 4.34Å
32R86Confident90.7Very high127 Ų12748.9 Ų48.948%0.47926%0.26SS..  trans-108.4-22.2-169.6-62.1173.1-71.3-148.5-5113.5E36 G84 E86R32-E36 WeakPolarHBondContact CB-OE2 3.48Å; R32-E36 IonicContact CZ-OE1 3.29Å; R32-E36 VanDerWaalsContact CZ-OE1 3.29Å; R32-E36 PolarHBondContact N-OE2 2.9Å; R32-E36 IonicContact NE-OE1 2.91Å; R32-E36 PolarHBondContact NE-OE1 3.42Å; R32-E36 IonicContact NE-OE2 3.49Å; R32-E36 PolarHBondContact NE-OE2 2.9Å; R32-E36 IonicContact NH2-OE1 2.72Å; R32-E36 PolarHBondContact NH2-OE1 3.15Å; R32-G84 PolarHBondContact NH2-O 2.91Å; R32-E86 IonicContact CZ-OE1 3.86Å; R32-E86 IonicContact NH1-OE1 2.86Å; R32-E86 PolarHBondContact NH1-OE1 3.2Å
33N85.6Confident90.4Very high63 Ų6343.4 Ų43.434%0.33724%0.236SC..SBendtrans-153.9172.7-172.758.857.8000111.6D35 E36 I37N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.41Å; N33-D35 WeakPolarHBondContact OD1-CB 3.39Å; N33-D35 PolarHBondContact OD1-N 3.34Å; N33-E36 PolarHBondContact ND2-OE1 2.86Å; N33-E36 PolarHBondContact O-N 2.71Å; N33-E36 WeakPolarHBondContact OD1-CG 3.46Å; N33-E36 PolarHBondContact OD1-N 3.32Å; N33-I37 WeakPolarHBondContact O-CG1 3.38Å; N33-I37 PolarHBondContact O-N 2.98Å
34G84.6Confident89.9Confident44 Ų4443 Ų4345%0.45423%0.228SC..Hα-helixtrans-67.5-28.4-175.400000113.9S38G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 2.99Å
35D88.7Confident89.1Confident89 Ų8947.7 Ų47.748%0.47625%0.253SS..Hα-helixtrans-67.5-46.1176.7174.263.6000111N33 I37 S38 K39N33-D35 VanDerWaalsContact C-N 3.3Å; N33-D35 PolarHBondContact O-N 3.41Å; N33-D35 WeakPolarHBondContact OD1-CB 3.39Å; N33-D35 PolarHBondContact OD1-N 3.34Å; D35-I37 PolarHBondContact O-N 3.29Å; D35-S38 WeakPolarHBondContact O-CB 3.27Å; D35-S38 PolarHBondContact O-N 3.37Å; D35-K39 WeakPolarHBondContact O-CG 3.35Å; D35-K39 PolarHBondContact O-N 2.81Å; D35-K39 WeakPolarHBondContact OD1-CE 3.28Å; D35-K39 IonicContact OD1-NZ 3.57Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 3.48Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å
36E89.7Confident88.3Confident12 Ų1248.2 Ų48.26%0.05626%0.26CS..Hα-helixtrans-61.6-40.7174.7-71.6178.5-168.700112.3V31 R32 N33 K39 L40 L85V31-E36 WeakPolarHBondContact CA-OE2 3.48Å; V31-E36 HydrophobicContact CB-CB 4.41Å; V31-E36 HydrophobicContact CG1-CB 4.39Å; R32-E36 WeakPolarHBondContact CB-OE2 3.48Å; R32-E36 IonicContact CZ-OE1 3.29Å; R32-E36 VanDerWaalsContact CZ-OE1 3.29Å; R32-E36 PolarHBondContact N-OE2 2.9Å; R32-E36 IonicContact NE-OE1 2.91Å; R32-E36 PolarHBondContact NE-OE1 3.42Å; R32-E36 IonicContact NE-OE2 3.49Å; R32-E36 PolarHBondContact NE-OE2 2.9Å; R32-E36 IonicContact NH2-OE1 2.72Å; R32-E36 PolarHBondContact NH2-OE1 3.15Å; N33-E36 PolarHBondContact ND2-OE1 2.86Å; N33-E36 PolarHBondContact O-N 2.71Å; N33-E36 WeakPolarHBondContact OD1-CG 3.46Å; N33-E36 PolarHBondContact OD1-N 3.32Å; E36-K39 PolarHBondContact O-N 3.17Å; E36-L40 WeakPolarHBondContact O-CB 3.49Å; E36-L40 PolarHBondContact O-N 3.46Å; E36-L85 HydrophobicContact CB-CD2 3.61Å; E36-L85 HydrophobicContact CG-CD2 3.6Å
37I86.6Confident87.2Confident39 Ų3953.8 Ų53.820%0.229%0.29CS..Hα-helixtrans-61.2-44.8173.5-69.9174.7000110.7V31 N33 D35 L40 S41 L57 F60V31-I37 HydrophobicContact CB-CG1 4.03Å; V31-I37 HydrophobicContact CG1-CG1 4.49Å; V31-I37 HydrophobicContact CG2-CG1 3.97Å; N33-I37 WeakPolarHBondContact O-CG1 3.38Å; N33-I37 PolarHBondContact O-N 2.98Å; D35-I37 PolarHBondContact O-N 3.29Å; I37-L40 PolarHBondContact O-N 2.84Å; I37-S41 VanDerWaalsContact O-CB 3.28Å; I37-S41 WeakPolarHBondContact O-CB 3.47Å; I37-S41 PolarHBondContact O-N 2.91Å; I37-L57 HydrophobicContact CG2-CD2 4.28Å; I37-F60 HydrophobicContact CD1-CD1 3.92Å; I37-F60 HydrophobicContact CD1-CE1 3.75Å
38S87.3Confident86.6Confident77 Ų7760.7 Ų60.754%0.53833%0.326SS..Hα-helixtrans-63-44.3179.2-171.30000111.7G34 D35 S41 Q42G34-S38 WeakPolarHBondContact O-CB 3.47Å; G34-S38 PolarHBondContact O-N 2.99Å; D35-S38 WeakPolarHBondContact O-CB 3.27Å; D35-S38 PolarHBondContact O-N 3.37Å; S38-S41 PolarHBondContact O-N 3.24Å; S38-Q42 PolarHBondContact O-N 2.85Å
39K90Very high86.2Confident48 Ų4859.5 Ų59.521%0.20932%0.324CS..Hα-helixtrans-62.7-45.6176.5-72.7165.2172.5173.20111.9D35 E36 S41 Q42 L43 F79 Q83 L85D35-K39 WeakPolarHBondContact O-CG 3.35Å; D35-K39 PolarHBondContact O-N 2.81Å; D35-K39 WeakPolarHBondContact OD1-CE 3.28Å; D35-K39 IonicContact OD1-NZ 3.57Å; D35-K39 WeakPolarHBondContact OD2-CE 3.28Å; D35-K39 IonicContact OD2-NZ 3.48Å; D35-K39 PolarHBondContact OD2-NZ 3.42Å; E36-K39 PolarHBondContact O-N 3.17Å; K39-S41 VanDerWaalsContact C-N 3.35Å; K39-Q42 WeakPolarHBondContact O-CB 3.47Å; K39-Q42 PolarHBondContact O-N 3.33Å; K39-L43 PolarHBondContact O-N 3.43Å; K39-L43 VanDerWaalsContact O-N 3.17Å; K39-F79 WeakPolarHBondContact O-CZ 3.37Å; K39-Q83 HydrophobicContact CD-CB 4.33Å; K39-L85 HydrophobicContact CB-CD1 4.47Å
40L88.8Confident86Confident0 Ų067.5 Ų67.50%036%0.359CS..Hα-helixtrans-67-38.3177.7-174.352.8000111.3I29 V31 E36 I37 Q42 L43 V44 L57 V64I29-L40 HydrophobicContact CB-CD2 4.14Å; I29-L40 HydrophobicContact CD1-CD1 3.7Å; I29-L40 HydrophobicContact CD1-CD2 4.22Å; I29-L40 HydrophobicContact CG2-CD2 3.86Å; V31-L40 HydrophobicContact CG1-CD2 3.75Å; E36-L40 WeakPolarHBondContact O-CB 3.49Å; E36-L40 PolarHBondContact O-N 3.46Å; I37-L40 PolarHBondContact O-N 2.84Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.4Å; L40-L43 HydrophobicContact CD1-CD2 4.04Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-V44 HydrophobicContact CD1-CG1 4.08Å; L40-V44 HydrophobicContact CG-CG1 4.44Å; L40-V44 WeakPolarHBondContact O-CG2 3.18Å; L40-V44 PolarHBondContact O-N 3.3Å; L40-L57 HydrophobicContact CB-CD2 4.29Å; L40-L57 HydrophobicContact CD2-CD2 3.87Å; L40-L57 HydrophobicContact CG-CD2 4.09Å; L40-V64 HydrophobicContact CD2-CB 3.86Å; L40-V64 HydrophobicContact CD2-CG1 3.82Å; L40-V64 HydrophobicContact CD2-CG2 3.94Å
41S86.8Confident86.3Confident38 Ų3864.8 Ų64.827%0.26634%0.344SS..Hα-helixtrans-59.2-41.6173.4-171.50000111.8I37 S38 K39 L43 N45I37-S41 VanDerWaalsContact O-CB 3.28Å; I37-S41 WeakPolarHBondContact O-CB 3.47Å; I37-S41 PolarHBondContact O-N 2.91Å; S38-S41 PolarHBondContact O-N 3.24Å; K39-S41 VanDerWaalsContact C-N 3.35Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.35Å; S41-N45 VanDerWaalsContact O-CB 3.26Å; S41-N45 WeakPolarHBondContact O-CB 3.21Å; S41-N45 PolarHBondContact O-N 2.81Å; S41-N45 VanDerWaalsContact O-N 3.07Å; S41-N45 PolarHBondContact O-ND2 3.44Å; S41-N45 VanDerWaalsContact O-ND2 3.08Å; S41-N45 PolarHBondContact OG-ND2 3.23Å
42Q86.4Confident86.5Confident143 Ų14365.5 Ų65.567%0.66835%0.348SS*.Hα-helixtrans-62.6-38.8176.3-174.3-1782.400111.8S38 K39 L40S38-Q42 PolarHBondContact O-N 2.85Å; K39-Q42 WeakPolarHBondContact O-CB 3.47Å; K39-Q42 PolarHBondContact O-N 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.4Å
43L88.7Confident86.8Confident11 Ų1161.4 Ų61.46%0.05834%0.337CS..Hα-helixtrans-66.6-53177.4-17972.3000111.9K39 L40 S41 N45 S46 L49 L51 V76 F79 L80K39-L43 PolarHBondContact O-N 3.43Å; K39-L43 VanDerWaalsContact O-N 3.17Å; L40-L43 HydrophobicContact CD1-CD2 4.04Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-L43 VanDerWaalsContact O-N 3.15Å; S41-L43 VanDerWaalsContact C-N 3.3Å; S41-L43 PolarHBondContact O-N 3.35Å; L43-N45 VanDerWaalsContact C-N 3.27Å; L43-N45 PolarHBondContact O-N 3.2Å; L43-S46 WeakPolarHBondContact O-CB 3.29Å; L43-S46 PolarHBondContact O-N 3.08Å; L43-L49 HydrophobicContact CD1-CD1 3.43Å; L43-L49 VanDerWaalsContact CD1-CD1 3.43Å; L43-L49 HydrophobicContact CG-CD1 4.39Å; L43-L51 HydrophobicContact CD1-CD1 4.46Å; L43-L51 HydrophobicContact CD2-CD1 4.26Å; L43-L51 HydrophobicContact CG-CD1 3.85Å; L43-V76 HydrophobicContact CD2-CG1 4.15Å; L43-F79 HydrophobicContact CB-CD1 4.19Å; L43-F79 HydrophobicContact CB-CE1 3.71Å; L43-F79 HydrophobicContact CB-CZ 4.01Å; L43-F79 HydrophobicContact CD1-CB 4.28Å; L43-F79 HydrophobicContact CD1-CD1 3.78Å; L43-F79 HydrophobicContact CD1-CD2 4.3Å; L43-F79 HydrophobicContact CD1-CE1 4.14Å; L43-F79 HydrophobicContact CD1-CG 3.86Å; L43-F79 HydrophobicContact CD2-CD1 3.7Å; L43-F79 HydrophobicContact CD2-CE1 3.92Å; L43-F79 HydrophobicContact CG-CD1 4.09Å; L43-F79 HydrophobicContact CG-CE1 4.13Å; L43-L80 HydrophobicContact CD2-CD2 4.27Å
44V85Confident87.1Confident20 Ų2059.1 Ų59.112%0.12132%0.323CS..Hα-helixtrans-69.5-26.1-174.5-59.50000112.8L40 S46 V53 L57 V66L40-V44 HydrophobicContact CD1-CG1 4.08Å; L40-V44 HydrophobicContact CG-CG1 4.44Å; L40-V44 WeakPolarHBondContact O-CG2 3.18Å; L40-V44 PolarHBondContact O-N 3.3Å; V44-S46 PolarHBondContact O-N 3.07Å; V44-V53 HydrophobicContact CB-CG2 3.79Å; V44-V53 HydrophobicContact CG1-CG2 3.94Å; V44-V53 HydrophobicContact CG2-CG2 4.3Å; V44-L57 HydrophobicContact CG2-CD1 4.36Å; V44-V66 HydrophobicContact CG1-CG2 4.11Å
45N81.9Confident87.2Confident113 Ų11358.1 Ų58.160%0.60431%0.307SS*.THydrogen-bonded Turntrans-81.10.3173.6-66.1-24.5000112.9S41 L43 N47S41-N45 VanDerWaalsContact O-CB 3.26Å; S41-N45 WeakPolarHBondContact O-CB 3.21Å; S41-N45 PolarHBondContact O-N 2.81Å; S41-N45 VanDerWaalsContact O-N 3.07Å; S41-N45 PolarHBondContact O-ND2 3.44Å; S41-N45 VanDerWaalsContact O-ND2 3.08Å; S41-N45 PolarHBondContact OG-ND2 3.23Å; L43-N45 VanDerWaalsContact C-N 3.27Å; L43-N45 PolarHBondContact O-N 3.2Å; N45-N47 PolarHBondContact O-N 3.37Å
46S80.3Confident86.9Confident39 Ų3955.5 Ų55.527%0.27330%0.295SS..  trans-80.2103.8175.4-168.70000111.1L43 V44 N48 L49L43-S46 WeakPolarHBondContact O-CB 3.29Å; L43-S46 PolarHBondContact O-N 3.08Å; V44-S46 PolarHBondContact O-N 3.07Å; S46-N48 PolarHBondContact O-N 2.95Å; S46-L49 PolarHBondContact O-N 3.03Å
47N75.2Confident86.2Confident120 Ų12056.8 Ų56.864%0.64230%0.302SS*.G310 helixtrans-59.8-21.4178.2-66.8-20.2000113.6N45 L49N45-N47 PolarHBondContact O-N 3.37Å; N47-L49 PolarHBondContact O-N 2.99Å
48N84.5Confident85.4Confident145 Ų14556 Ų5678%0.77530%0.3SS*.G310 helixtrans-69.4-23.2-177.7-65.5-16.8000113S46S46-N48 PolarHBondContact O-N 2.95Å
49L87.3Confident84.3Confident30 Ų3055.2 Ų55.216%0.15729%0.292CS..G310 helixtrans-97.2-10.7-174.9-63177000113.2L43 S46 N47 L51 S72 A75 V76L43-L49 HydrophobicContact CD1-CD1 3.43Å; L43-L49 VanDerWaalsContact CD1-CD1 3.43Å; L43-L49 HydrophobicContact CG-CD1 4.39Å; S46-L49 PolarHBondContact O-N 3.03Å; N47-L49 PolarHBondContact O-N 2.99Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 HydrophobicContact CB-CD1 4.18Å; L49-L51 HydrophobicContact CB-CD2 3.97Å; L49-L51 HydrophobicContact CB-CG 3.75Å; L49-L51 HydrophobicContact CD1-CD1 4.3Å; L49-L51 PolarHBondContact O-N 3.29Å; L49-S72 PolarHBondContact O-OG 3.23Å; L49-A75 HydrophobicContact CD2-CB 4.09Å; L49-V76 HydrophobicContact CD1-CG2 4.15Å
50K88.9Confident83.1Confident170 Ų17058.4 Ų58.474%0.73931%0.306SS*.THydrogen-bonded Turntrans50.744-179.9-57.1-178.8-179.7-176.90113.1P69K50-P69 HydrophobicContact CB-CG 4.21Å; K50-P69 VanDerWaalsContact O-CG 3.23Å; K50-P69 WeakPolarHBondContact O-CG 3.4Å
51L92.8Very high82.2Confident25 Ų2565.7 Ų65.713%0.13135%0.345CS..  trans-76.2138.9179.7-54.1-177.8000110.3L43 L49 V66 V68 V76L43-L51 HydrophobicContact CD1-CD1 4.46Å; L43-L51 HydrophobicContact CD2-CD1 4.26Å; L43-L51 HydrophobicContact CG-CD1 3.85Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 HydrophobicContact CB-CD1 4.18Å; L49-L51 HydrophobicContact CB-CD2 3.97Å; L49-L51 HydrophobicContact CB-CG 3.75Å; L49-L51 HydrophobicContact CD1-CD1 4.3Å; L49-L51 PolarHBondContact O-N 3.29Å; L51-V66 HydrophobicContact CB-CG1 3.86Å; L51-V66 HydrophobicContact CD1-CG1 4.39Å; L51-V66 HydrophobicContact CG-CG1 4.47Å; L51-V68 HydrophobicContact CD2-CB 4.34Å; L51-V68 HydrophobicContact CD2-CG1 4.06Å; L51-V68 HydrophobicContact CD2-CG2 4.2Å; L51-V76 HydrophobicContact CD1-CG2 4.32Å; L51-V76 HydrophobicContact CD2-CG2 3.92Å
52D92.2Very high81.9Confident23 Ų2365 Ų6512%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-111.9117.6172.517022.7000109.5W54 V66 L67 R183D52-W54 PolarHBondContact O-N 3.49Å; D52-W54 PolarHBondContact OD2-NE1 2.73Å; D52-V66 CarbonylContact O-C 3.55Å; D52-V66 WeakPolarHBondContact O-CA 3.45Å; D52-L67 HydrophobicContact CB-CB 4.12Å; D52-L67 HydrophobicContact CB-CD2 4.35Å; D52-L67 PolarHBondContact N-O 2.73Å; D52-L67 PolarHBondContact O-N 3.34Å; D52-R183 IonicContact OD1-CZ 2.89Å; D52-R183 IonicContact OD1-NH1 2.69Å; D52-R183 PolarHBondContact OD1-NH1 3.41Å; D52-R183 IonicContact OD1-NH2 2.84Å; D52-R183 IonicContact OD2-NH1 2.61Å; D52-R183 PolarHBondContact OD2-NH1 2.73Å
53V91.8Very high82Confident40 Ų4059.5 Ų59.524%0.24231%0.313CS..EExtended strand (participates in β ladder)trans-85.8109-177.8-177.90000108.9V44 V66 R183V44-V53 HydrophobicContact CB-CG2 3.79Å; V44-V53 HydrophobicContact CG1-CG2 3.94Å; V44-V53 HydrophobicContact CG2-CG2 4.3Å; V53-V66 HydrophobicContact CG2-CG2 4.41Å; V53-R183 PolarHBondContact O-NH2 3.35Å
54W92Very high82.2Confident16 Ų1659 Ų596%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-80.8-38178.8-72.717.8000111.8V26 D52 D65 I91 L94 L237 Y310 F391V26-W54 HydrophobicContact CG1-CE3 4.29Å; V26-W54 HydrophobicContact CG2-CD2 4.41Å; V26-W54 HydrophobicContact CG2-CE3 4.23Å; V26-W54 HydrophobicContact CG2-CH2 3.9Å; V26-W54 HydrophobicContact CG2-CZ2 4.06Å; V26-W54 HydrophobicContact CG2-CZ3 3.98Å; D52-W54 PolarHBondContact O-N 3.49Å; D52-W54 PolarHBondContact OD2-NE1 2.73Å; W54-D65 HydrophobicContact CB-CB 4.24Å; W54-D65 PolarHBondContact N-O 3.22Å; W54-I91 HydrophobicContact CH2-CD1 4.21Å; W54-I91 HydrophobicContact CZ3-CD1 3.94Å; W54-L94 HydrophobicContact CH2-CD1 3.6Å; W54-L94 HydrophobicContact CZ2-CD1 3.92Å; W54-L94 HydrophobicContact CZ2-CD2 4.33Å; W54-L237 HydrophobicContact CH2-CD2 4.42Å; W54-L237 HydrophobicContact CZ2-CD1 4.08Å; W54-L237 HydrophobicContact CZ2-CD2 3.66Å; W54-Y310 HydrophobicContact CB-CE1 4.17Å; W54-Y310 VanDerWaalsContact CB-OH 3.31Å; W54-Y310 WeakPolarHBondContact CB-OH 3.26Å; W54-Y310 HydrophobicContact CE3-CE1 4.02Å; W54-F391 HydrophobicContact CB-CE2 3.69Å; W54-F391 HydrophobicContact CB-CZ 4.22Å; W54-F391 AromaticContact CD1-CE2 3.75Å; W54-F391 AromaticContact CD2-CD2 3.56Å; W54-F391 HydrophobicContact CD2-CD2 3.56Å; W54-F391 AromaticContact CD2-CE2 3.54Å; W54-F391 HydrophobicContact CD2-CE2 3.54Å; W54-F391 AromaticContact CE2-CD2 3.72Å; W54-F391 AromaticContact CE2-CE2 3.97Å; W54-F391 AromaticContact CE3-CD2 3.78Å; W54-F391 HydrophobicContact CE3-CD2 3.78Å; W54-F391 HydrophobicContact CE3-CE2 4.03Å; W54-F391 AromaticContact CG-CD2 3.96Å; W54-F391 HydrophobicContact CG-CD2 3.96Å; W54-F391 AromaticContact CG-CE2 3.4Å; W54-F391 HydrophobicContact CG-CE2 3.4Å; W54-F391 VanDerWaalsContact CG-CE2 3.4Å; W54-F391 HydrophobicContact CG-CZ 4.38Å; W54-F391 HydrophobicContact CH2-CD2 4.26Å; W54-F391 HydrophobicContact CZ2-CD2 4.09Å; W54-F391 HydrophobicContact CZ3-CD2 4.12Å
55K87.1Confident82.7Confident23 Ų2358 Ų5810%0.131%0.305CS..EExtended strand (participates in β ladder)trans-130.3111.6177.8-174172.3175.9175.80110.2P63 D65K55-P63 WeakPolarHBondContact CD-O 3.33Å; K55-P63 WeakPolarHBondContact CE-O 3.42Å; K55-D65 HydrophobicContact CB-CB 3.86Å; K55-D65 PolarHBondContact N-O 3.27Å; K55-D65 VanDerWaalsContact N-O 3.13Å; K55-D65 PolarHBondContact O-N 3.01Å
56S81.3Confident83.3Confident34 Ų3452.8 Ų52.824%0.23828%0.277CS..  trans-72.3159.2-168.6-37.30000113.9S58 Y360S56-S58 PolarHBondContact O-N 3.39Å; S56-Y360 VanDerWaalsContact OG-CE1 3.3Å; S56-Y360 WeakPolarHBondContact OG-CE1 3.5Å; S56-Y360 PolarHBondContact OG-OH 2.9Å
57L76.3Confident84.1Confident39 Ų3951.2 Ų51.220%0.20427%0.266CS..  trans-57.6119.1172.5-67161.1000109.8I37 L40 V44 V64I37-L57 HydrophobicContact CG2-CD2 4.28Å; L40-L57 HydrophobicContact CB-CD2 4.29Å; L40-L57 HydrophobicContact CD2-CD2 3.87Å; L40-L57 HydrophobicContact CG-CD2 4.09Å; V44-L57 HydrophobicContact CG2-CD1 4.36Å; L57-V64 HydrophobicContact CD2-CG1 4.43Å; L57-V64 HydrophobicContact CD2-CG2 3.57Å; L57-V64 HydrophobicContact CG-CG2 4.28Å
58S68.8Low85.1Confident23 Ų2345.6 Ų45.616%0.16124%0.235CC..  trans-121.7-85.8-174.443.50000111.9S56 R62 V359S56-S58 PolarHBondContact O-N 3.39Å; S58-R62 WeakPolarHBondContact OG-CB 3.32Å; S58-V359 WeakPolarHBondContact CB-O 2.77Å
59T63.7Low85.7Confident59 Ų5939.5 Ų39.536%0.36220%0.204SC..  trans-144168.6-176.257.20000109.5N61 R62T59-N61 PolarHBondContact O-N 3.47Å; T59-R62 PolarHBondContact O-N 2.82Å
60F65.9Low86.2Confident116 Ų11640.6 Ų40.651%0.50921%0.214SC..THydrogen-bonded Turntrans-58.8-4-173.3-50.3-57.3000116.3V31 I37V31-F60 CarbonylContact O-C 3.58Å; I37-F60 HydrophobicContact CD1-CD1 3.92Å; I37-F60 HydrophobicContact CD1-CE1 3.75Å
61N69.4Low86.5Confident152 Ų15238.7 Ų38.781%0.81322%0.216SC*.THydrogen-bonded Turntrans-119.25.4-173.6-76.1-0.2000114.5T59T59-N61 PolarHBondContact O-N 3.47Å
62R80.6Confident86.7Confident24 Ų2437.9 Ų37.99%0.09121%0.213CC..SBendtrans-120.5131.6176-59.5-167.981.4-158.1-8.9110.7S58 T59 S311 L313 T358S58-R62 WeakPolarHBondContact OG-CB 3.32Å; T59-R62 PolarHBondContact O-N 2.82Å; R62-S311 VanDerWaalsContact NH2-CB 3.34Å; R62-S311 PolarHBondContact NH2-OG 2.81Å; R62-S311 VanDerWaalsContact NH2-OG 3.09Å; R62-L313 VanDerWaalsContact NH1-CD1 3.28Å; R62-T358 WeakPolarHBondContact CD-O 3.45Å; R62-T358 PolarHBondContact NH1-O 3.14Å
63P89.6Confident86.9Confident27 Ų2738 Ų3818%0.17521%0.213CC..  trans-65152.3174.325.7-32.1000110.8R28 I29 K55R28-P63 HydrophobicContact CG-CB 3.68Å; R28-P63 HydrophobicContact CG-CG 4.45Å; I29-P63 WeakPolarHBondContact O-CA 3.3Å; K55-P63 WeakPolarHBondContact CD-O 3.33Å; K55-P63 WeakPolarHBondContact CE-O 3.42Å
64V91.6Very high87.1Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-101.7124.5173.6177.30000107.4R28 I29 V31 L40 L57 V66R28-V64 WeakPolarHBondContact CA-O 3.26Å; I29-V64 PolarHBondContact N-O 3.13Å; I29-V64 PolarHBondContact O-N 2.83Å; V31-V64 HydrophobicContact CG2-CG2 4.34Å; L40-V64 HydrophobicContact CD2-CB 3.86Å; L40-V64 HydrophobicContact CD2-CG1 3.82Å; L40-V64 HydrophobicContact CD2-CG2 3.94Å; L57-V64 HydrophobicContact CD2-CG1 4.43Å; L57-V64 HydrophobicContact CD2-CG2 3.57Å; L57-V64 HydrophobicContact CG-CG2 4.28Å; V64-V66 HydrophobicContact CG1-CG2 3.75Å
65D94.9Very high87.3Confident1 Ų145.5 Ų45.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-106.8123.5179.1-62.8-32000108.4V26 F27 R28 W54 K55 Y310V26-D65 HydrophobicContact CG1-CB 4.32Å; F27-D65 CarbonylContact O-C 3.52Å; F27-D65 VanDerWaalsContact O-CA 3.31Å; F27-D65 WeakPolarHBondContact O-CA 3.42Å; R28-D65 WeakPolarHBondContact CB-OD1 3.36Å; R28-D65 IonicContact CZ-OD1 3.56Å; R28-D65 IonicContact CZ-OD2 3.35Å; R28-D65 IonicContact NE-OD1 3.49Å; R28-D65 PolarHBondContact NE-OD1 2.74Å; R28-D65 IonicContact NE-OD2 3.51Å; R28-D65 IonicContact NH2-OD1 3.69Å; R28-D65 PolarHBondContact NH2-OD1 2.9Å; R28-D65 IonicContact NH2-OD2 2.9Å; R28-D65 PolarHBondContact NH2-OD2 3.32Å; W54-D65 HydrophobicContact CB-CB 4.24Å; W54-D65 PolarHBondContact N-O 3.22Å; K55-D65 HydrophobicContact CB-CB 3.86Å; K55-D65 PolarHBondContact N-O 3.27Å; K55-D65 VanDerWaalsContact N-O 3.13Å; K55-D65 PolarHBondContact O-N 3.01Å; D65-Y310 WeakPolarHBondContact CB-OH 3.16Å; D65-Y310 PolarHBondContact OD2-OH 3.44Å
66V95.3Very high87.7Confident3 Ų344.5 Ų44.52%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-133.3125.1-174.6-177.90000109.4V26 F27 I29 V44 L51 D52 V53 V64 V68V26-V66 WeakPolarHBondContact CA-O 3.4Å; F27-V66 PolarHBondContact N-O 3.08Å; F27-V66 PolarHBondContact O-N 2.95Å; I29-V66 HydrophobicContact CD1-CG2 4.47Å; V44-V66 HydrophobicContact CG1-CG2 4.11Å; L51-V66 HydrophobicContact CB-CG1 3.86Å; L51-V66 HydrophobicContact CD1-CG1 4.39Å; L51-V66 HydrophobicContact CG-CG1 4.47Å; D52-V66 CarbonylContact O-C 3.55Å; D52-V66 WeakPolarHBondContact O-CA 3.45Å; V53-V66 HydrophobicContact CG2-CG2 4.41Å; V64-V66 HydrophobicContact CG1-CG2 3.75Å; V66-V68 HydrophobicContact CG1-CG2 4.34Å
67L96.6Very high88.4Confident6 Ų645.4 Ų45.43%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-73126.6165.4178.468.1000109.6F21 D24 V26 D52 L94 L237F21-L67 HydrophobicContact CD1-CD2 4.25Å; F21-L67 HydrophobicContact CE1-CD2 4.34Å; D24-L67 HydrophobicContact CB-CD1 3.87Å; V26-L67 HydrophobicContact CG2-CB 4.45Å; V26-L67 HydrophobicContact CG2-CD1 3.89Å; D52-L67 HydrophobicContact CB-CB 4.12Å; D52-L67 HydrophobicContact CB-CD2 4.35Å; D52-L67 PolarHBondContact N-O 2.73Å; D52-L67 PolarHBondContact O-N 3.34Å; L67-L94 HydrophobicContact CD1-CB 4.48Å; L67-L94 HydrophobicContact CD1-CD2 3.81Å; L67-L94 HydrophobicContact CD2-CD2 4.06Å; L67-L237 HydrophobicContact CD2-CD1 3.21Å
68V97.3Very high89.4Confident1 Ų146.6 Ų46.61%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-115.1113.9178.2-174.20000108.4Q25 F27 L51 V66 L73 V76Q25-V68 PolarHBondContact N-O 2.96Å; Q25-V68 PolarHBondContact O-N 2.95Å; F27-V68 HydrophobicContact CB-CG2 4.46Å; F27-V68 HydrophobicContact CD2-CG2 3.7Å; F27-V68 HydrophobicContact CE2-CB 4.43Å; F27-V68 HydrophobicContact CE2-CG2 3.9Å; F27-V68 HydrophobicContact CG-CG2 3.99Å; F27-V68 HydrophobicContact CZ-CB 4.47Å; F27-V68 HydrophobicContact CZ-CG2 4.36Å; L51-V68 HydrophobicContact CD2-CB 4.34Å; L51-V68 HydrophobicContact CD2-CG1 4.06Å; L51-V68 HydrophobicContact CD2-CG2 4.2Å; V66-V68 HydrophobicContact CG1-CG2 4.34Å; V68-L73 HydrophobicContact CB-CD2 3.86Å; V68-L73 HydrophobicContact CG1-CD2 3.68Å; V68-L73 HydrophobicContact CG1-CG 4.3Å; V68-V76 HydrophobicContact CG1-CB 3.92Å; V68-V76 HydrophobicContact CG1-CG1 4.29Å; V68-V76 HydrophobicContact CG1-CG2 3.72Å; V68-V76 HydrophobicContact CG2-CG1 4.08Å
69P96.6Very high90.6Very high18 Ų1847.6 Ų47.612%0.11726%0.264CS..  trans-56.7144.3174.7-26.835.6000111.8D24 K50 V71 S72 L73D24-P69 WeakPolarHBondContact OD1-CA 3.49Å; K50-P69 HydrophobicContact CB-CG 4.21Å; K50-P69 VanDerWaalsContact O-CG 3.23Å; K50-P69 WeakPolarHBondContact O-CG 3.4Å; P69-V71 HydrophobicContact CB-CG2 4.03Å; P69-V71 PolarHBondContact O-N 3.46Å; P69-V71 VanDerWaalsContact O-N 3.16Å; P69-S72 CarbonylContact O-C 3.51Å; P69-S72 WeakPolarHBondContact O-CA 3.35Å; P69-S72 WeakPolarHBondContact O-CB 3.18Å; P69-S72 PolarHBondContact O-N 3.09Å; P69-L73 PolarHBondContact O-N 3.46Å; P69-L73 VanDerWaalsContact O-N 3.15Å
70S96.8Very high92.1Very high52 Ų5244.8 Ų44.836%0.36425%0.247SC..G310 helixtrans-50.7-43-178.357.40000112.4F22 D24 S72 L73F22-S70 WeakPolarHBondContact O-CB 3.45Å; F22-S70 PolarHBondContact O-OG 3.45Å; D24-S70 PolarHBondContact OD1-N 3.34Å; D24-S70 PolarHBondContact OD1-OG 3.49Å; S70-S72 PolarHBondContact O-N 2.89Å; S70-L73 WeakPolarHBondContact O-CB 3.47Å; S70-L73 WeakPolarHBondContact O-CG 3.26Å; S70-L73 PolarHBondContact O-N 2.92Å
71V95.9Very high93.5Very high130 Ų13047.8 Ų47.879%0.78826%0.255SS*.G310 helixtrans-63.2-24.2176.6-61.50000113.8P69P69-V71 HydrophobicContact CB-CG2 4.03Å; P69-V71 PolarHBondContact O-N 3.46Å; P69-V71 VanDerWaalsContact O-N 3.16Å
72S96.4Very high94.8Very high9 Ų944.6 Ų44.66%0.06324%0.244CC..G310 helixtrans-98.7-9.5-178.5-62.40000113.1L49 P69 S70 Q74 A75 V76L49-S72 PolarHBondContact O-OG 3.23Å; P69-S72 CarbonylContact O-C 3.51Å; P69-S72 WeakPolarHBondContact O-CA 3.35Å; P69-S72 WeakPolarHBondContact O-CB 3.18Å; P69-S72 PolarHBondContact O-N 3.09Å; S70-S72 PolarHBondContact O-N 2.89Å; S72-Q74 PolarHBondContact O-N 2.97Å; S72-A75 PolarHBondContact O-N 2.92Å; S72-V76 WeakPolarHBondContact O-CG2 3.27Å; S72-V76 PolarHBondContact O-N 3.13Å
73L96.3Very high95.4Very high25 Ų2546.6 Ų46.613%0.13125%0.254CS..Hα-helixtrans-56.1-48.4-172.3-72.3172.4000113Q25 F27 V68 P69 S70 A75 V76 K77Q25-L73 HydrophobicContact CB-CD2 3.79Å; Q25-L73 HydrophobicContact CG-CD1 3.9Å; Q25-L73 HydrophobicContact CG-CD2 3.63Å; Q25-L73 HydrophobicContact CG-CG 4.42Å; F27-L73 HydrophobicContact CE1-CD2 3.93Å; F27-L73 HydrophobicContact CZ-CD2 3.56Å; V68-L73 HydrophobicContact CB-CD2 3.86Å; V68-L73 HydrophobicContact CG1-CD2 3.68Å; V68-L73 HydrophobicContact CG1-CG 4.3Å; P69-L73 PolarHBondContact O-N 3.46Å; P69-L73 VanDerWaalsContact O-N 3.15Å; S70-L73 WeakPolarHBondContact O-CB 3.47Å; S70-L73 WeakPolarHBondContact O-CG 3.26Å; S70-L73 PolarHBondContact O-N 2.92Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 2.84Å; L73-V76 PolarHBondContact O-N 3.17Å; L73-K77 VanDerWaalsContact O-CB 3.3Å; L73-K77 WeakPolarHBondContact O-CB 3.27Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 3.18Å
74Q96.4Very high95.6Very high161 Ų16147.3 Ų47.375%0.75227%0.267SS*.Hα-helixtrans-63.3-42.4-177.3-175179.7-1.600111.6S72 S78S72-Q74 PolarHBondContact O-N 2.97Å; Q74-S78 VanDerWaalsContact O-CB 3.28Å; Q74-S78 WeakPolarHBondContact O-CB 3.42Å; Q74-S78 PolarHBondContact O-N 3.44Å; Q74-S78 PolarHBondContact O-OG 3.21Å
75A95.8Very high95.7Very high52 Ų5247.6 Ų47.643%0.4327%0.268SS..Hα-helixtrans-63.4-48.1178.900000110.8L49 S72 L73 S78 F79L49-A75 HydrophobicContact CD2-CB 4.09Å; S72-A75 PolarHBondContact O-N 2.92Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 2.84Å; A75-S78 PolarHBondContact O-N 3.13Å; A75-F79 WeakPolarHBondContact O-CB 3.37Å; A75-F79 PolarHBondContact O-N 3.27Å
76V96.4Very high95.5Very high2 Ų253 Ų531%0.01229%0.293CS..Hα-helixtrans-64.9-47.1179.2173.90000111.5F27 L43 L49 L51 V68 S72 L73 S78 F79 L80F27-V76 HydrophobicContact CD2-CG1 4.01Å; F27-V76 HydrophobicContact CE2-CB 4.48Å; F27-V76 HydrophobicContact CE2-CG1 3.81Å; L43-V76 HydrophobicContact CD2-CG1 4.15Å; L49-V76 HydrophobicContact CD1-CG2 4.15Å; L51-V76 HydrophobicContact CD1-CG2 4.32Å; L51-V76 HydrophobicContact CD2-CG2 3.92Å; V68-V76 HydrophobicContact CG1-CB 3.92Å; V68-V76 HydrophobicContact CG1-CG1 4.29Å; V68-V76 HydrophobicContact CG1-CG2 3.72Å; V68-V76 HydrophobicContact CG2-CG1 4.08Å; S72-V76 WeakPolarHBondContact O-CG2 3.27Å; S72-V76 PolarHBondContact O-N 3.13Å; L73-V76 PolarHBondContact O-N 3.17Å; V76-S78 VanDerWaalsContact C-N 3.27Å; V76-S78 PolarHBondContact O-N 2.87Å; V76-F79 PolarHBondContact O-N 3.15Å; V76-L80 HydrophobicContact CG1-CD1 3.85Å; V76-L80 HydrophobicContact CG1-CG 4.21Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.26Å
77K96.5Very high95.5Very high53 Ų5355.6 Ų55.623%0.2330%0.303CS..Hα-helixtrans-58.8-40.2177.3-70-178.9-174.5-179.60111.4F27 L73 R81 Y87F27-K77 HydrophobicContact CE2-CG 3.87Å; F27-K77 HydrophobicContact CZ-CD 4.27Å; F27-K77 HydrophobicContact CZ-CG 3.82Å; L73-K77 VanDerWaalsContact O-CB 3.3Å; L73-K77 WeakPolarHBondContact O-CB 3.27Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 3.18Å; K77-R81 WeakPolarHBondContact O-CB 3.5Å; K77-R81 VanDerWaalsContact O-CG 3.27Å; K77-R81 WeakPolarHBondContact O-CG 3.35Å; K77-R81 PolarHBondContact O-N 3Å; K77-R81 VanDerWaalsContact O-N 3.13Å; K77-Y87 HydrophobicContact CG-CE2 4.4Å; K77-Y87 VanDerWaalsContact CG-OH 3.29Å; K77-Y87 WeakPolarHBondContact CG-OH 3.46Å
78S96.1Very high95.5Very high64 Ų6458 Ų5845%0.44832%0.323SS..Hα-helixtrans-67.8-43.2177.8-57.80000111.7Q74 A75 V76 S82Q74-S78 VanDerWaalsContact O-CB 3.28Å; Q74-S78 WeakPolarHBondContact O-CB 3.42Å; Q74-S78 PolarHBondContact O-N 3.44Å; Q74-S78 PolarHBondContact O-OG 3.21Å; A75-S78 PolarHBondContact O-N 3.13Å; V76-S78 VanDerWaalsContact C-N 3.27Å; V76-S78 PolarHBondContact O-N 2.87Å; S78-S82 WeakPolarHBondContact O-CB 3.45Å; S78-S82 PolarHBondContact O-N 2.89Å; S78-S82 PolarHBondContact O-OG 3.37Å
79F95.3Very high95.4Very high45 Ų4560.4 Ų60.420%0.19734%0.338CS..Hα-helixtrans-58.4-54174.6175.9-89.7000111.1K39 L43 A75 V76 R81 S82 Q83 L85K39-F79 WeakPolarHBondContact O-CZ 3.37Å; L43-F79 HydrophobicContact CB-CD1 4.19Å; L43-F79 HydrophobicContact CB-CE1 3.71Å; L43-F79 HydrophobicContact CB-CZ 4.01Å; L43-F79 HydrophobicContact CD1-CB 4.28Å; L43-F79 HydrophobicContact CD1-CD1 3.78Å; L43-F79 HydrophobicContact CD1-CD2 4.3Å; L43-F79 HydrophobicContact CD1-CE1 4.14Å; L43-F79 HydrophobicContact CD1-CG 3.86Å; L43-F79 HydrophobicContact CD2-CD1 3.7Å; L43-F79 HydrophobicContact CD2-CE1 3.92Å; L43-F79 HydrophobicContact CG-CD1 4.09Å; L43-F79 HydrophobicContact CG-CE1 4.13Å; A75-F79 WeakPolarHBondContact O-CB 3.37Å; A75-F79 PolarHBondContact O-N 3.27Å; V76-F79 PolarHBondContact O-N 3.15Å; F79-R81 VanDerWaalsContact C-N 3.31Å; F79-R81 PolarHBondContact O-N 3.05Å; F79-S82 PolarHBondContact O-N 2.96Å; F79-S82 VanDerWaalsContact O-N 3.08Å; F79-S82 PolarHBondContact O-OG 3.32Å; F79-Q83 HydrophobicContact CD1-CG 4.23Å; F79-Q83 HydrophobicContact CD2-CG 4.23Å; F79-Q83 HydrophobicContact CE1-CG 3.88Å; F79-Q83 HydrophobicContact CE2-CG 3.89Å; F79-Q83 HydrophobicContact CG-CG 4.4Å; F79-Q83 HydrophobicContact CZ-CG 3.7Å; F79-Q83 WeakPolarHBondContact O-CG 3.24Å; F79-Q83 PolarHBondContact O-N 2.78Å; F79-L85 HydrophobicContact CE1-CD1 4.16Å
80L95.2Very high95.4Very high0 Ų061.4 Ų61.40%035%0.348CS..Hα-helixtrans-57-45.4-177.8-66.7173.7000111.4F27 I29 L43 V76 Q83 G84 L85 Y87F27-L80 HydrophobicContact CD2-CD1 3.88Å; F27-L80 HydrophobicContact CE2-CD1 4.29Å; I29-L80 HydrophobicContact CD1-CD1 4.15Å; I29-L80 HydrophobicContact CD1-CD2 3.99Å; I29-L80 HydrophobicContact CG1-CD1 4.41Å; I29-L80 HydrophobicContact CG2-CD2 4.45Å; L43-L80 HydrophobicContact CD2-CD2 4.27Å; V76-L80 HydrophobicContact CG1-CD1 3.85Å; V76-L80 HydrophobicContact CG1-CG 4.21Å; V76-L80 WeakPolarHBondContact O-CG 3.31Å; V76-L80 PolarHBondContact O-N 3.26Å; L80-Q83 PolarHBondContact O-N 3.27Å; L80-G84 PolarHBondContact O-N 2.79Å; L80-G84 VanDerWaalsContact O-N 3.14Å; L80-L85 HydrophobicContact CB-CB 4.27Å; L80-L85 HydrophobicContact CD2-CB 3.78Å; L80-L85 HydrophobicContact CD2-CD1 3.73Å; L80-L85 HydrophobicContact CD2-CG 4.41Å; L80-L85 PolarHBondContact O-N 2.82Å; L80-Y87 HydrophobicContact CB-CD1 4Å; L80-Y87 HydrophobicContact CB-CE1 4.32Å; L80-Y87 HydrophobicContact CD1-CD1 3.58Å; L80-Y87 HydrophobicContact CD1-CD2 4.47Å; L80-Y87 HydrophobicContact CD1-CE1 4.16Å; L80-Y87 HydrophobicContact CD1-CG 3.77Å; L80-Y87 HydrophobicContact CG-CD1 4.43Å
81R95.6Very high95.4Very high179 Ų17959.3 Ų59.368%0.67533%0.333SS*.Hα-helixtrans-61.2-45.5175.1-72.3173.1-177.7171.92112.6K77 F79 Q83 G84K77-R81 WeakPolarHBondContact O-CB 3.5Å; K77-R81 VanDerWaalsContact O-CG 3.27Å; K77-R81 WeakPolarHBondContact O-CG 3.35Å; K77-R81 PolarHBondContact O-N 3Å; K77-R81 VanDerWaalsContact O-N 3.13Å; F79-R81 VanDerWaalsContact C-N 3.31Å; F79-R81 PolarHBondContact O-N 3.05Å; R81-Q83 PolarHBondContact O-N 2.92Å; R81-G84 PolarHBondContact O-N 3.16Å
82S95.6Very high95.5Very high84 Ų8460.5 Ų60.559%0.58733%0.329SS*.Hα-helixtrans-64.1-29.2-179.876.70000113.2S78 F79S78-S82 WeakPolarHBondContact O-CB 3.45Å; S78-S82 PolarHBondContact O-N 2.89Å; S78-S82 PolarHBondContact O-OG 3.37Å; F79-S82 PolarHBondContact O-N 2.96Å; F79-S82 VanDerWaalsContact O-N 3.08Å; F79-S82 PolarHBondContact O-OG 3.32Å
83Q94.4Very high95.4Very high66 Ų6662.9 Ų62.931%0.30834%0.342SS..THydrogen-bonded Turntrans-92.3-3.2-179.7-63.8-51.7-57.600113.2K39 F79 L80 R81 L85K39-Q83 HydrophobicContact CD-CB 4.33Å; F79-Q83 HydrophobicContact CD1-CG 4.23Å; F79-Q83 HydrophobicContact CD2-CG 4.23Å; F79-Q83 HydrophobicContact CE1-CG 3.88Å; F79-Q83 HydrophobicContact CE2-CG 3.89Å; F79-Q83 HydrophobicContact CG-CG 4.4Å; F79-Q83 HydrophobicContact CZ-CG 3.7Å; F79-Q83 WeakPolarHBondContact O-CG 3.24Å; F79-Q83 PolarHBondContact O-N 2.78Å; L80-Q83 PolarHBondContact O-N 3.27Å; R81-Q83 PolarHBondContact O-N 2.92Å; Q83-L85 VanDerWaalsContact C-N 3.28Å; Q83-L85 HydrophobicContact CB-CD1 4.05Å; Q83-L85 HydrophobicContact CB-CG 4.07Å; Q83-L85 PolarHBondContact O-N 3.28Å
84G93.1Very high95.4Very high42 Ų4261.7 Ų61.743%0.43334%0.336SS..THydrogen-bonded Turntrans68.724.7-175.600000113.9R32 L80 R81R32-G84 PolarHBondContact NH2-O 2.91Å; L80-G84 PolarHBondContact O-N 2.79Å; L80-G84 VanDerWaalsContact O-N 3.14Å; R81-G84 PolarHBondContact O-N 3.16Å
85L92.6Very high95.5Very high6 Ų654.2 Ų54.23%0.03130%0.3CS..  trans-86.7117.4177.6-68.8171000110.1E36 K39 F79 L80 Q83E36-L85 HydrophobicContact CB-CD2 3.61Å; E36-L85 HydrophobicContact CG-CD2 3.6Å; K39-L85 HydrophobicContact CB-CD1 4.47Å; F79-L85 HydrophobicContact CE1-CD1 4.16Å; L80-L85 HydrophobicContact CB-CB 4.27Å; L80-L85 HydrophobicContact CD2-CB 3.78Å; L80-L85 HydrophobicContact CD2-CD1 3.73Å; L80-L85 HydrophobicContact CD2-CG 4.41Å; L80-L85 PolarHBondContact O-N 2.82Å; Q83-L85 VanDerWaalsContact C-N 3.28Å; Q83-L85 HydrophobicContact CB-CD1 4.05Å; Q83-L85 HydrophobicContact CB-CG 4.07Å; Q83-L85 PolarHBondContact O-N 3.28Å
86E92.2Very high95.5Very high114 Ų11453.7 Ų53.753%0.53330%0.296SS..  trans-76.8134.3175.9-71.8168.2-144.200110.6N30 R32N30-E86 PolarHBondContact N-O 3.32Å; R32-E86 IonicContact CZ-OE1 3.86Å; R32-E86 IonicContact NH1-OE1 2.86Å; R32-E86 PolarHBondContact NH1-OE1 3.2Å
87Y94.8Very high95.5Very high59 Ų5955.5 Ų55.523%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-139.5151.6175.474.9-82.5000111.4F27 R28 K77 L80 V89F27-Y87 HydrophobicContact CB-CD2 4.4Å; F27-Y87 HydrophobicContact CD1-CD2 4.19Å; F27-Y87 HydrophobicContact CD1-CE2 4.4Å; F27-Y87 AromaticContact CD2-CD2 3.83Å; F27-Y87 HydrophobicContact CD2-CD2 3.83Å; F27-Y87 HydrophobicContact CD2-CE2 4.16Å; F27-Y87 HydrophobicContact CD2-CG 4.38Å; F27-Y87 HydrophobicContact CE1-CD2 4.5Å; F27-Y87 HydrophobicContact CE1-CE2 4.26Å; F27-Y87 HydrophobicContact CE2-CD2 4.17Å; F27-Y87 HydrophobicContact CE2-CE2 4.01Å; F27-Y87 AromaticContact CG-CD2 3.88Å; F27-Y87 HydrophobicContact CG-CD2 3.88Å; F27-Y87 HydrophobicContact CG-CE2 4.38Å; F27-Y87 HydrophobicContact CZ-CE2 4.1Å; R28-Y87 CarbonylContact O-C 3.59Å; R28-Y87 WeakPolarHBondContact O-CA 3.42Å; K77-Y87 HydrophobicContact CG-CE2 4.4Å; K77-Y87 VanDerWaalsContact CG-OH 3.29Å; K77-Y87 WeakPolarHBondContact CG-OH 3.46Å; L80-Y87 HydrophobicContact CB-CD1 4Å; L80-Y87 HydrophobicContact CB-CE1 4.32Å; L80-Y87 HydrophobicContact CD1-CD1 3.58Å; L80-Y87 HydrophobicContact CD1-CD2 4.47Å; L80-Y87 HydrophobicContact CD1-CE1 4.16Å; L80-Y87 HydrophobicContact CD1-CG 3.77Å; L80-Y87 HydrophobicContact CG-CD1 4.43Å; Y87-V89 HydrophobicContact CE2-CG2 4.19Å
88A96Very high95.5Very high55 Ų5553.1 Ų53.146%0.45530%0.296SS..EExtended strand (participates in β ladder)trans-113.9150.2165.800000109.4F27 R28 A90F27-A88 WeakPolarHBondContact CA-O 3.24Å; R28-A88 PolarHBondContact N-O 3.08Å; R28-A88 PolarHBondContact O-N 3.37Å; A88-A90 PolarHBondContact O-N 2.83Å
89V96.6Very high95.6Very high53 Ų5353 Ų5332%0.32129%0.29SS..EExtended strand (participates in β ladder)trans-85.1109.1168.5-177.50000106.8Q25 F27 Y87 I91 E92Q25-V89 HydrophobicContact CB-CG1 4.26Å; F27-V89 HydrophobicContact CD1-CG2 4.1Å; F27-V89 HydrophobicContact CE1-CG2 3.9Å; Y87-V89 HydrophobicContact CE2-CG2 4.19Å; V89-I91 WeakPolarHBondContact CG1-O 3.3Å; V89-E92 HydrophobicContact CG1-CB 4.49Å; V89-E92 HydrophobicContact CG1-CG 4.01Å
90A95.4Very high95.6Very high38 Ų3855 Ų5531%0.31430%0.302SS..EExtended strand (participates in β ladder)trans-82-37.918000000111.5V26 R28 A88V26-A90 PolarHBondContact O-N 2.81Å; R28-A90 HydrophobicContact CB-CB 4.29Å; A88-A90 PolarHBondContact O-N 2.83Å
91I97.3Very high95.8Very high9 Ų955.5 Ų55.55%0.04631%0.305CS..EExtended strand (participates in β ladder)trans-129.1121.1174.7-62.5167.4000107.5Q25 V26 W54 V89 L94 L97Q25-I91 WeakPolarHBondContact CA-O 3.46Å; V26-I91 HydrophobicContact CB-CB 3.95Å; V26-I91 HydrophobicContact CB-CD1 4.14Å; V26-I91 HydrophobicContact CB-CG1 4.26Å; V26-I91 HydrophobicContact CG2-CB 4.08Å; V26-I91 HydrophobicContact CG2-CD1 3.86Å; V26-I91 HydrophobicContact CG2-CG1 4.39Å; V26-I91 PolarHBondContact N-O 3.22Å; V26-I91 PolarHBondContact O-N 3.2Å; W54-I91 HydrophobicContact CH2-CD1 4.21Å; W54-I91 HydrophobicContact CZ3-CD1 3.94Å; V89-I91 WeakPolarHBondContact CG1-O 3.3Å; I91-L94 HydrophobicContact CD1-CD1 4.35Å; I91-L94 HydrophobicContact CG2-CD1 4.28Å; I91-L97 HydrophobicContact CD1-CD1 3.91Å; I91-L97 HydrophobicContact CG1-CD1 4.12Å; I91-L97 HydrophobicContact CG2-CD1 3.78Å; I91-L97 HydrophobicContact CG2-CG 4.48Å
92E96.8Very high95.8Very high154 Ų15448.2 Ų48.272%0.7228%0.279SS*.SBendtrans-79.9-36-175-67.5-171.3168.100113.7Q25 V89Q25-E92 WeakPolarHBondContact CG-O 3.49Å; Q25-E92 PolarHBondContact NE2-O 3.07Å; V89-E92 HydrophobicContact CG1-CB 4.49Å; V89-E92 HydrophobicContact CG1-CG 4.01Å
93D96.1Very high95.8Very high60 Ų6049.3 Ų49.332%0.32128%0.275SS..  trans-145108.3175.8-174.61.8000109.2G23 Q95 A96G23-D93 PolarHBondContact N-OD1 3.23Å; D93-Q95 VanDerWaalsContact C-N 3.28Å; D93-Q95 PolarHBondContact O-N 3.29Å; D93-Q95 PolarHBondContact OD1-N 3.13Å; D93-Q95 VanDerWaalsContact OD1-N 3.08Å; D93-A96 HydrophobicContact CB-CB 4.26Å; D93-A96 PolarHBondContact O-N 3.33Å
94L96.1Very high96Very high0 Ų049.8 Ų49.80%028%0.278CS..Hα-helixtrans-65.4-33.3-179.9-167.875.3000111.9F21 D24 V26 W54 L67 I91 A96 L97 L98 L237 L392F21-L94 HydrophobicContact CB-CB 4.05Å; F21-L94 HydrophobicContact CB-CD2 3.84Å; F21-L94 HydrophobicContact CB-CG 4.29Å; F21-L94 HydrophobicContact CD1-CD2 3.82Å; F21-L94 HydrophobicContact CD2-CD2 4.44Å; F21-L94 HydrophobicContact CE1-CD2 4.49Å; F21-L94 HydrophobicContact CG-CD2 3.77Å; D24-L94 HydrophobicContact CB-CB 4.34Å; D24-L94 PolarHBondContact O-N 2.74Å; V26-L94 HydrophobicContact CG2-CD1 4.32Å; W54-L94 HydrophobicContact CH2-CD1 3.6Å; W54-L94 HydrophobicContact CZ2-CD1 3.92Å; W54-L94 HydrophobicContact CZ2-CD2 4.33Å; L67-L94 HydrophobicContact CD1-CB 4.48Å; L67-L94 HydrophobicContact CD1-CD2 3.81Å; L67-L94 HydrophobicContact CD2-CD2 4.06Å; I91-L94 HydrophobicContact CD1-CD1 4.35Å; I91-L94 HydrophobicContact CG2-CD1 4.28Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.26Å; L94-L97 PolarHBondContact O-N 3.39Å; L94-L98 PolarHBondContact O-N 3.45Å; L94-L237 HydrophobicContact CD2-CD1 3.74Å; L94-L237 HydrophobicContact CD2-CD2 4.45Å; L94-L237 HydrophobicContact CD2-CG 4.43Å; L94-L392 HydrophobicContact CD1-CD1 3.4Å; L94-L392 HydrophobicContact CD1-CG 4.49Å; L94-L392 HydrophobicContact CG-CD1 3.94Å
95Q97.6Very high96.1Very high3 Ų348.8 Ų48.81%0.01426%0.262CS..Hα-helixtrans-65.8-34-178.4-170.16154.900111.9F22 D93 L97 L98 D99F22-Q95 HydrophobicContact CD1-CB 3.98Å; F22-Q95 HydrophobicContact CD1-CG 3.58Å; F22-Q95 HydrophobicContact CE1-CB 4.39Å; F22-Q95 HydrophobicContact CE1-CG 3.52Å; F22-Q95 HydrophobicContact CG-CB 4.42Å; F22-Q95 HydrophobicContact CG-CG 4.15Å; F22-Q95 HydrophobicContact CZ-CG 4.03Å; D93-Q95 VanDerWaalsContact C-N 3.28Å; D93-Q95 PolarHBondContact O-N 3.29Å; D93-Q95 PolarHBondContact OD1-N 3.13Å; D93-Q95 VanDerWaalsContact OD1-N 3.08Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.26Å; Q95-L98 WeakPolarHBondContact O-CB 3.48Å; Q95-L98 PolarHBondContact O-N 2.87Å; Q95-D99 PolarHBondContact NE2-OD1 2.93Å; Q95-D99 PolarHBondContact O-N 2.91Å
96A96.9Very high96.3Very high42 Ų4254.9 Ų54.935%0.34729%0.29SS..Hα-helixtrans-63.1-37.8176.800000112.6D93 L94 N100D93-A96 HydrophobicContact CB-CB 4.26Å; D93-A96 PolarHBondContact O-N 3.33Å; L94-A96 VanDerWaalsContact C-N 3.29Å; L94-A96 PolarHBondContact O-N 3.26Å; A96-N100 PolarHBondContact O-N 3.14Å; A96-N100 PolarHBondContact O-ND2 3.47Å; A96-N100 VanDerWaalsContact O-ND2 3.13Å
97L96.6Very high96.5Very high39 Ų3955.3 Ų55.320%0.20429%0.292CS..Hα-helixtrans-68.5-38.5174.5-68-177.4000111.8I91 L94 Q95 N100 E101 Y389 L392I91-L97 HydrophobicContact CD1-CD1 3.91Å; I91-L97 HydrophobicContact CG1-CD1 4.12Å; I91-L97 HydrophobicContact CG2-CD1 3.78Å; I91-L97 HydrophobicContact CG2-CG 4.48Å; L94-L97 PolarHBondContact O-N 3.39Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.26Å; L97-N100 PolarHBondContact O-N 3.47Å; L97-E101 PolarHBondContact O-N 3.43Å; L97-Y389 HydrophobicContact CD1-CD1 4.36Å; L97-Y389 HydrophobicContact CD2-CD1 4.16Å; L97-Y389 HydrophobicContact CD2-CE1 4.27Å; L97-L392 HydrophobicContact CB-CB 4.3Å; L97-L392 HydrophobicContact CB-CD1 3.59Å; L97-L392 HydrophobicContact CD1-CB 4.36Å; L97-L392 HydrophobicContact CD1-CD1 4.15Å
98L96.4Very high96.6Very high4 Ų452.9 Ų52.92%0.02128%0.283CS..Hα-helixtrans-64.3-42.5175.6-77.9169.7000112.9F21 L94 Q95 N100 E101 D102 R236 L392F21-L98 HydrophobicContact CB-CD1 4.23Å; F21-L98 HydrophobicContact CD2-CD1 3.25Å; F21-L98 HydrophobicContact CE2-CD1 3.89Å; F21-L98 HydrophobicContact CG-CD1 4.04Å; L94-L98 PolarHBondContact O-N 3.45Å; Q95-L98 WeakPolarHBondContact O-CB 3.48Å; Q95-L98 PolarHBondContact O-N 2.87Å; L98-N100 VanDerWaalsContact C-N 3.33Å; L98-E101 PolarHBondContact O-N 3.4Å; L98-D102 WeakPolarHBondContact O-CB 3.39Å; L98-D102 PolarHBondContact O-N 3.24Å; L98-R236 HydrophobicContact CD2-CB 3.65Å; L98-R236 HydrophobicContact CD2-CG 3.42Å; L98-R236 VanDerWaalsContact CD2-CG 3.42Å; L98-L392 HydrophobicContact CD2-CD1 4.4Å; L98-L392 HydrophobicContact CD2-CD2 3.76Å; L98-L392 HydrophobicContact CG-CD1 4.11Å; L98-L392 HydrophobicContact CG-CD2 4.35Å
99D96.9Very high96.6Very high60 Ų6053.1 Ų53.132%0.32128%0.275SS..Hα-helixtrans-63.6-42.1179.5-67.5-17000110.2Q95 D102 E103Q95-D99 PolarHBondContact NE2-OD1 2.93Å; Q95-D99 PolarHBondContact O-N 2.91Å; D99-D102 PolarHBondContact O-N 3.41Å; D99-E103 WeakPolarHBondContact O-CB 3.25Å; D99-E103 WeakPolarHBondContact O-CG 3.46Å; D99-E103 PolarHBondContact O-N 2.9Å
100N96.6Very high96.4Very high87 Ų8752 Ų5247%0.46527%0.274SS..Hα-helixtrans-61.8-44.6173.2-68.4-32000112.3A96 L97 L98 E103 E104A96-N100 PolarHBondContact O-N 3.14Å; A96-N100 PolarHBondContact O-ND2 3.47Å; A96-N100 VanDerWaalsContact O-ND2 3.13Å; L97-N100 PolarHBondContact O-N 3.47Å; L98-N100 VanDerWaalsContact C-N 3.33Å; N100-E103 PolarHBondContact O-N 2.83Å; N100-E104 WeakPolarHBondContact O-CB 3.27Å; N100-E104 WeakPolarHBondContact O-CG 3.38Å; N100-E104 PolarHBondContact O-N 3.28Å
101E97.5Very high96.4Very high11 Ų1155.6 Ų55.65%0.05128%0.284CS..Hα-helixtrans-60.6-45.6177.5-176.9-177.6-109.600111.5L97 L98 E104 M105 Y123 W185 R236L97-E101 PolarHBondContact O-N 3.43Å; L98-E101 PolarHBondContact O-N 3.4Å; E101-E104 PolarHBondContact O-N 2.91Å; E101-M105 HydrophobicContact CG-SD 4.47Å; E101-M105 WeakPolarHBondContact O-CB 3.42Å; E101-M105 WeakPolarHBondContact O-CG 3.48Å; E101-M105 PolarHBondContact O-N 2.89Å; E101-Y123 HydrophobicContact CG-CD2 4.38Å; E101-W185 HydrophobicContact CG-CE3 4.44Å; E101-W185 HydrophobicContact CG-CZ3 3.91Å; E101-W185 WeakPolarHBondContact OE2-CZ3 3.35Å; E101-R236 IonicContact OE1-CZ 3.68Å; E101-R236 IonicContact OE1-NE 3.45Å; E101-R236 PolarHBondContact OE1-NE 3.02Å; E101-R236 IonicContact OE1-NH2 2.78Å; E101-R236 PolarHBondContact OE1-NH2 2.91Å; E101-R236 WeakPolarHBondContact OE2-CD 3.45Å; E101-R236 IonicContact OE2-CZ 3.87Å; E101-R236 IonicContact OE2-NE 3.68Å; E101-R236 PolarHBondContact OE2-NE 2.61Å; E101-R236 IonicContact OE2-NH2 3.4Å
102D95.8Very high96.3Very high26 Ų2656.4 Ų56.414%0.13929%0.288CS..Hα-helixtrans-63.4-42.2177.6-79.5-18.9000111.7R18 L98 D99 M105 Q106R18-D102 IonicContact CZ-OD1 3.58Å; R18-D102 IonicContact CZ-OD2 3.17Å; R18-D102 IonicContact NH1-OD1 2.72Å; R18-D102 PolarHBondContact NH1-OD1 2.74Å; R18-D102 IonicContact NH1-OD2 3.67Å; R18-D102 PolarHBondContact NH1-OD2 2.77Å; R18-D102 IonicContact NH2-OD1 3.61Å; R18-D102 PolarHBondContact NH2-OD1 2.7Å; R18-D102 IonicContact NH2-OD2 2.94Å; L98-D102 WeakPolarHBondContact O-CB 3.39Å; L98-D102 PolarHBondContact O-N 3.24Å; D99-D102 PolarHBondContact O-N 3.41Å; D102-M105 PolarHBondContact O-N 2.99Å; D102-Q106 WeakPolarHBondContact O-CB 3.45Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.24Å
103E97.1Very high96Very high108 Ų10858 Ų5851%0.50529%0.287SS..Hα-helixtrans-62.9-47.3176.7-77.1-176.9-170.900111.8D99 N100 M105 Q106 Q107D99-E103 WeakPolarHBondContact O-CB 3.25Å; D99-E103 WeakPolarHBondContact O-CG 3.46Å; D99-E103 PolarHBondContact O-N 2.9Å; N100-E103 PolarHBondContact O-N 2.83Å; E103-M105 PolarHBondContact O-N 3.34Å; E103-Q106 PolarHBondContact O-N 3.04Å; E103-Q107 WeakPolarHBondContact O-CB 3.35Å; E103-Q107 VanDerWaalsContact O-CG 3.23Å; E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 3.29Å
104E97Very high95.7Very high76 Ų7665.6 Ų65.636%0.35531%0.311SS..Hα-helixtrans-60.3-45.3177.1-74.5-178.2169.900111.4N100 E101 Q107 N108 A395N100-E104 WeakPolarHBondContact O-CB 3.27Å; N100-E104 WeakPolarHBondContact O-CG 3.38Å; N100-E104 PolarHBondContact O-N 3.28Å; E101-E104 PolarHBondContact O-N 2.91Å; E104-Q107 PolarHBondContact O-N 3.37Å; E104-N108 WeakPolarHBondContact O-CB 3.39Å; E104-N108 PolarHBondContact O-N 2.98Å; E104-A395 VanDerWaalsContact OE2-CB 3.24Å; E104-A395 WeakPolarHBondContact OE2-CB 3.44Å; E104-A395 PolarHBondContact OE2-N 2.76Å
105M96.8Very high95.3Very high21 Ų2168.6 Ų68.610%0.10333%0.332CS..Hα-helixtrans-62.3-46.7177.2-76.8-172.668.700112.1E101 D102 E103 Q107 N108 E109 W185E101-M105 HydrophobicContact CG-SD 4.47Å; E101-M105 WeakPolarHBondContact O-CB 3.42Å; E101-M105 WeakPolarHBondContact O-CG 3.48Å; E101-M105 PolarHBondContact O-N 2.89Å; D102-M105 PolarHBondContact O-N 2.99Å; E103-M105 PolarHBondContact O-N 3.34Å; M105-Q107 VanDerWaalsContact C-N 3.34Å; M105-Q107 PolarHBondContact O-N 2.82Å; M105-N108 PolarHBondContact O-N 3.13Å; M105-E109 WeakPolarHBondContact O-CG 3.23Å; M105-E109 PolarHBondContact O-N 2.81Å; M105-W185 HydrophobicContact CE-CZ3 4.43Å; M105-W185 HydrophobicContact SD-CE3 4.37Å; M105-W185 HydrophobicContact SD-CH2 3.92Å; M105-W185 HydrophobicContact SD-CZ3 3.42Å; M105-W185 WeakPolarHBondContact SD-CZ3 3.18Å
106Q96.1Very high94.8Very high134 Ų13475.5 Ų75.563%0.62637%0.369SS*.Hα-helixtrans-62.6-41.9179.5-74.7172.531.400112D102 E103 G110D102-Q106 WeakPolarHBondContact O-CB 3.45Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.24Å; E103-Q106 PolarHBondContact O-N 3.04Å; Q106-G110 PolarHBondContact O-N 2.98Å; Q106-G110 VanDerWaalsContact O-N 3.15Å
107Q96.2Very high94.5Very high122 Ų12278.9 Ų78.957%0.5738%0.382SS*.Hα-helixtrans-62.6-45.9175.9-71.9176.324.500111.1E103 E104 M105 G110 Q111E103-Q107 WeakPolarHBondContact O-CB 3.35Å; E103-Q107 VanDerWaalsContact O-CG 3.23Å; E103-Q107 WeakPolarHBondContact O-CG 3.4Å; E103-Q107 PolarHBondContact O-N 3.29Å; E104-Q107 PolarHBondContact O-N 3.37Å; M105-Q107 VanDerWaalsContact C-N 3.34Å; M105-Q107 PolarHBondContact O-N 2.82Å; Q107-G110 PolarHBondContact O-N 2.99Å; Q107-Q111 WeakPolarHBondContact O-CG 3.31Å; Q107-Q111 PolarHBondContact O-N 2.64Å; Q107-Q111 VanDerWaalsContact O-N 3.13Å
108N97Very high94.6Very high8 Ų878.6 Ų78.64%0.04338%0.379CS..Hα-helixtrans-61.2-49177.9-17766.1000112E104 M105 G110 Q111 E112 N119 A122E104-N108 WeakPolarHBondContact O-CB 3.39Å; E104-N108 PolarHBondContact O-N 2.98Å; M105-N108 PolarHBondContact O-N 3.13Å; N108-G110 PolarHBondContact O-N 3.4Å; N108-Q111 WeakPolarHBondContact O-CA 3.31Å; N108-Q111 WeakPolarHBondContact O-CB 3.39Å; N108-Q111 PolarHBondContact O-N 3.06Å; N108-E112 VanDerWaalsContact ND2-CD 3.31Å; N108-E112 PolarHBondContact ND2-OE1 3.01Å; N108-E112 WeakPolarHBondContact O-CG 3.46Å; N108-E112 PolarHBondContact O-N 3.4Å; N108-N119 VanDerWaalsContact OD1-CB 3.23Å; N108-N119 WeakPolarHBondContact OD1-CB 3.35Å; N108-N119 PolarHBondContact OD1-ND2 3.22Å; N108-A122 HydrophobicContact CB-CB 3.9Å; N108-A122 VanDerWaalsContact ND2-CB 3.28Å; N108-A122 WeakPolarHBondContact ND2-CB 3.3Å
109E95.1Very high94.7Very high60 Ų6081.5 Ų81.528%0.2839%0.394SS..Hα-helixtrans-57-37.9178.3-74.8-167.4-177.100112.2M105 Q111 R113M105-E109 WeakPolarHBondContact O-CG 3.23Å; M105-E109 PolarHBondContact O-N 2.81Å; E109-Q111 VanDerWaalsContact C-N 3.33Å; E109-R113 WeakPolarHBondContact O-CB 3.24Å; E109-R113 WeakPolarHBondContact O-CG 3.22Å; E109-R113 PolarHBondContact O-N 2.69Å; E109-R113 VanDerWaalsContact O-N 3.16Å; E109-R113 IonicContact OE2-NH2 3.15Å; E109-R113 PolarHBondContact OE2-NH2 3.07Å; E109-R113 VanDerWaalsContact OE2-NH2 3.17Å
110G93.8Very high94.7Very high29 Ų2980.4 Ų80.430%0.29939%0.386SS..Hα-helixtrans-63.7-36.2174.100000113.3Q106 Q107 N108 R114Q106-G110 PolarHBondContact O-N 2.98Å; Q106-G110 VanDerWaalsContact O-N 3.15Å; Q107-G110 PolarHBondContact O-N 2.99Å; N108-G110 PolarHBondContact O-N 3.4Å; G110-R114 WeakPolarHBondContact O-CG 3.23Å
111Q94.5Very high94.8Very high114 Ų11477 Ų7753%0.53337%0.371SS..Hα-helixtrans-75.9-43.1178.2-68.6176.56.100112.6Q107 N108 E109 R113 R114 S115Q107-Q111 WeakPolarHBondContact O-CG 3.31Å; Q107-Q111 PolarHBondContact O-N 2.64Å; Q107-Q111 VanDerWaalsContact O-N 3.13Å; N108-Q111 WeakPolarHBondContact O-CA 3.31Å; N108-Q111 WeakPolarHBondContact O-CB 3.39Å; N108-Q111 PolarHBondContact O-N 3.06Å; E109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 2.79Å; Q111-R114 PolarHBondContact O-N 2.76Å; Q111-R114 VanDerWaalsContact O-N 3.1Å; Q111-S115 WeakPolarHBondContact O-CB 3.28Å; Q111-S115 PolarHBondContact O-N 3.45Å; Q111-S115 PolarHBondContact O-OG 2.94Å
112E95.1Very high94.9Very high27 Ų2776.7 Ų76.713%0.12637%0.371CS..Hα-helixtrans-62.2-42.2177.8-65-168.9168.900111.1N108 R114 S115 N116 N117 N119 H124N108-E112 VanDerWaalsContact ND2-CD 3.31Å; N108-E112 PolarHBondContact ND2-OE1 3.01Å; N108-E112 WeakPolarHBondContact O-CG 3.46Å; N108-E112 PolarHBondContact O-N 3.4Å; E112-R114 PolarHBondContact O-N 3.3Å; E112-S115 PolarHBondContact O-N 3.47Å; E112-N116 WeakPolarHBondContact O-CA 3.42Å; E112-N116 PolarHBondContact O-N 3.07Å; E112-N117 WeakPolarHBondContact CB-O 3.33Å; E112-N117 VanDerWaalsContact CG-O 3.27Å; E112-N117 WeakPolarHBondContact CG-O 3.19Å; E112-N119 HydrophobicContact CG-CB 4.37Å; E112-N119 WeakPolarHBondContact OE1-CB 3.37Å; E112-N119 PolarHBondContact OE1-N 3.49Å; E112-H124 IonicContact OE1-CD2 3.83Å; E112-H124 PolarHBondContact OE1-CD2 3.35Å; E112-H124 IonicContact OE1-CE1 3.15Å; E112-H124 IonicContact OE1-NE2 3.65Å; E112-H124 PolarHBondContact OE1-NE2 2.95Å; E112-H124 IonicContact OE2-CD2 3.56Å; E112-H124 IonicContact OE2-NE2 3.18Å
113R90.3Very high95Very high187 Ų18775.7 Ų75.771%0.70637%0.365SS*.Hα-helixtrans-60.1-26.7175-73.1175.3-165.3-177.911.4113.7E109 Q111E109-R113 WeakPolarHBondContact O-CB 3.24Å; E109-R113 WeakPolarHBondContact O-CG 3.22Å; E109-R113 PolarHBondContact O-N 2.69Å; E109-R113 VanDerWaalsContact O-N 3.16Å; E109-R113 IonicContact OE2-NH2 3.15Å; E109-R113 PolarHBondContact OE2-NH2 3.07Å; E109-R113 VanDerWaalsContact OE2-NH2 3.17Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 2.79Å
114R89.8Confident95.1Very high220 Ų22070.8 Ų70.883%0.8334%0.342SS*.Hα-helixtrans-89.4-36.6178.9-70.3173.6-176.1178.93.3112.6G110 Q111 E112G110-R114 WeakPolarHBondContact O-CG 3.23Å; Q111-R114 PolarHBondContact O-N 2.76Å; Q111-R114 VanDerWaalsContact O-N 3.1Å; E112-R114 PolarHBondContact O-N 3.3Å
115S88.8Confident95.2Very high62 Ų6268.7 Ų68.743%0.43434%0.336SS..Hα-helixtrans-93.5-16-173.759.90000113.9Q111 E112 N117Q111-S115 WeakPolarHBondContact O-CB 3.28Å; Q111-S115 PolarHBondContact O-N 3.45Å; Q111-S115 PolarHBondContact O-OG 2.94Å; E112-S115 PolarHBondContact O-N 3.47Å; S115-N117 PolarHBondContact O-N 2.79Å; S115-N117 PolarHBondContact OG-N 3.47Å
116N85.8Confident95.3Very high148 Ų14868.3 Ų68.379%0.79133%0.334SS*.  trans54.124.2-169.3-67.8-29.6000113.6E112E112-N116 WeakPolarHBondContact O-CA 3.42Å; E112-N116 PolarHBondContact O-N 3.07Å
117N91.9Very high95.4Very high114 Ų11470.3 Ų70.361%0.6134%0.341SS*.  trans-112.4137.2177.5-71.2-28.3000109.9E112 S115E112-N117 WeakPolarHBondContact CB-O 3.33Å; E112-N117 VanDerWaalsContact CG-O 3.27Å; E112-N117 WeakPolarHBondContact CG-O 3.19Å; S115-N117 PolarHBondContact O-N 2.79Å; S115-N117 PolarHBondContact OG-N 3.47Å
118F97.6Very high95.5Very high32 Ų3265.5 Ų65.514%0.1432%0.322CS..  trans-79.6121.5171.4-170.8-86.5000110Y120 H124 A128 E132 I192F118-Y120 AromaticContact CD1-CD1 3.77Å; F118-Y120 HydrophobicContact CD1-CD1 3.77Å; F118-Y120 AromaticContact CD1-CD2 3.9Å; F118-Y120 HydrophobicContact CD1-CD2 3.9Å; F118-Y120 AromaticContact CD1-CE1 3.67Å; F118-Y120 HydrophobicContact CD1-CE1 3.67Å; F118-Y120 AromaticContact CD1-CE2 3.77Å; F118-Y120 HydrophobicContact CD1-CE2 3.77Å; F118-Y120 AromaticContact CD1-CG 3.88Å; F118-Y120 HydrophobicContact CD1-CG 3.88Å; F118-Y120 AromaticContact CD1-CZ 3.64Å; F118-Y120 AromaticContact CE1-CD1 3.63Å; F118-Y120 HydrophobicContact CE1-CD1 3.63Å; F118-Y120 AromaticContact CE1-CE1 3.73Å; F118-Y120 HydrophobicContact CE1-CE1 3.73Å; F118-Y120 HydrophobicContact CE1-CG 4.07Å; F118-H124 AromaticContact CE1-CE1 3.46Å; F118-H124 VanDerWaalsContact CE1-CE1 3.46Å; F118-H124 WeakPolarHBondContact CE1-CE1 3.26Å; F118-H124 AromaticContact CE1-ND1 3.89Å; F118-H124 AromaticContact CE1-NE2 3.82Å; F118-H124 HydrophobicContact CE2-CB 4.5Å; F118-H124 AromaticContact CE2-CD2 3.59Å; F118-H124 AromaticContact CE2-CE1 3.96Å; F118-H124 AromaticContact CE2-CG 3.8Å; F118-H124 AromaticContact CE2-NE2 3.7Å; F118-H124 HydrophobicContact CZ-CB 4.41Å; F118-H124 AromaticContact CZ-CD2 3.7Å; F118-H124 AromaticContact CZ-CE1 3.3Å; F118-H124 WeakPolarHBondContact CZ-CE1 3.29Å; F118-H124 AromaticContact CZ-CG 3.58Å; F118-H124 AromaticContact CZ-ND1 3.33Å; F118-H124 VanDerWaalsContact CZ-ND1 3.33Å; F118-H124 WeakPolarHBondContact CZ-ND1 3.25Å; F118-H124 AromaticContact CZ-NE2 3.52Å; F118-A128 HydrophobicContact CE2-CB 4.45Å; F118-E132 HydrophobicContact CB-CG 4.22Å; F118-E132 WeakPolarHBondContact CB-OE2 3.39Å; F118-E132 HydrophobicContact CD1-CG 3.89Å; F118-E132 HydrophobicContact CD2-CB 3.56Å; F118-E132 HydrophobicContact CD2-CG 3.71Å; F118-E132 HydrophobicContact CE1-CG 4.13Å; F118-E132 HydrophobicContact CE2-CB 3.57Å; F118-E132 HydrophobicContact CE2-CG 3.95Å; F118-E132 HydrophobicContact CG-CB 4.08Å; F118-E132 HydrophobicContact CG-CG 3.66Å; F118-E132 HydrophobicContact CZ-CB 4.1Å; F118-E132 HydrophobicContact CZ-CG 4.15Å; F118-I192 HydrophobicContact CE1-CG1 4.29Å; F118-I192 HydrophobicContact CE1-CG2 4.29Å; F118-I192 HydrophobicContact CZ-CG1 4.16Å; F118-I192 HydrophobicContact CZ-CG2 4.28Å
119N98.3Very high95.6Very high65 Ų6565.2 Ų65.235%0.34832%0.321SS..  trans-92.899.5178.517713.2000110.8N108 E112 G121 A122 H124N108-N119 VanDerWaalsContact OD1-CB 3.23Å; N108-N119 WeakPolarHBondContact OD1-CB 3.35Å; N108-N119 PolarHBondContact OD1-ND2 3.22Å; E112-N119 HydrophobicContact CG-CB 4.37Å; E112-N119 WeakPolarHBondContact OE1-CB 3.37Å; E112-N119 PolarHBondContact OE1-N 3.49Å; N119-G121 PolarHBondContact O-N 2.83Å; N119-G121 PolarHBondContact OD1-N 3.28Å; N119-A122 PolarHBondContact O-N 2.88Å; N119-H124 PolarHBondContact O-CE1 2.98Å; N119-H124 PolarHBondContact O-NE2 2.96Å
120Y98.6Very high95.8Very high37 Ų3763.5 Ų63.515%0.14531%0.312CS..THydrogen-bonded Turntrans-64.9-8.6178.9-64.3-88.4000115.5F118 A122 E132 I192 W193 R196 I398F118-Y120 AromaticContact CD1-CD1 3.77Å; F118-Y120 HydrophobicContact CD1-CD1 3.77Å; F118-Y120 AromaticContact CD1-CD2 3.9Å; F118-Y120 HydrophobicContact CD1-CD2 3.9Å; F118-Y120 AromaticContact CD1-CE1 3.67Å; F118-Y120 HydrophobicContact CD1-CE1 3.67Å; F118-Y120 AromaticContact CD1-CE2 3.77Å; F118-Y120 HydrophobicContact CD1-CE2 3.77Å; F118-Y120 AromaticContact CD1-CG 3.88Å; F118-Y120 HydrophobicContact CD1-CG 3.88Å; F118-Y120 AromaticContact CD1-CZ 3.64Å; F118-Y120 AromaticContact CE1-CD1 3.63Å; F118-Y120 HydrophobicContact CE1-CD1 3.63Å; F118-Y120 AromaticContact CE1-CE1 3.73Å; F118-Y120 HydrophobicContact CE1-CE1 3.73Å; F118-Y120 HydrophobicContact CE1-CG 4.07Å; Y120-A122 VanDerWaalsContact C-N 3.29Å; Y120-E132 HydrophobicContact CE1-CG 4.45Å; Y120-E132 PolarHBondContact OH-OE1 2.87Å; Y120-I192 HydrophobicContact CE1-CG1 4.32Å; Y120-W193 HydrophobicContact CD1-CB 4.13Å; Y120-R196 HydrophobicContact CD1-CB 4.5Å; Y120-R196 HydrophobicContact CE1-CB 3.62Å; Y120-R196 HydrophobicContact CE1-CG 4.23Å; Y120-R196 HydrophobicContact CE2-CB 4.21Å; Y120-R196 HydrophobicContact CE2-CG 3.88Å; Y120-R196 VanDerWaalsContact CZ-CB 3.46Å; Y120-R196 VanDerWaalsContact OH-CB 3.24Å; Y120-R196 WeakPolarHBondContact OH-CB 3.34Å; Y120-R196 WeakPolarHBondContact OH-CG 3.47Å; Y120-R196 PolarHBondContact OH-NE 3.16Å; Y120-I398 VanDerWaalsContact O-CG2 3.26Å; Y120-I398 WeakPolarHBondContact O-CG2 3.3Å
121G98.4Very high96Very high16 Ų1667.3 Ų67.317%0.16532%0.322CS..THydrogen-bonded Turntrans-89.818.1174.300000114.3N119N119-G121 PolarHBondContact O-N 2.83Å; N119-G121 PolarHBondContact OD1-N 3.28Å
122A98.6Very high96.2Very high5 Ų562.3 Ų62.34%0.04130%0.298CS..SBendtrans-130.5162.4-179.800000111.6N108 N119 Y120 H124 I398N108-A122 HydrophobicContact CB-CB 3.9Å; N108-A122 VanDerWaalsContact ND2-CB 3.28Å; N108-A122 WeakPolarHBondContact ND2-CB 3.3Å; N119-A122 PolarHBondContact O-N 2.88Å; Y120-A122 VanDerWaalsContact C-N 3.29Å; A122-H124 PolarHBondContact O-CE1 3.36Å; A122-H124 PolarHBondContact O-ND1 3.3Å; A122-H124 VanDerWaalsContact O-ND1 3.1Å; A122-I398 WeakPolarHBondContact O-CD1 3.46Å
123Y98.8Very high96.4Very high4 Ų461.1 Ų61.12%0.01629%0.292CS..  trans-84.3145.9165.7-66.1-58.7000110.5E101 W185 A189 L393 I398E101-Y123 HydrophobicContact CG-CD2 4.38Å; Y123-W185 HydrophobicContact CD1-CB 3.8Å; Y123-W185 HydrophobicContact CD1-CE3 4.24Å; Y123-W185 AromaticContact CD2-CE3 3.92Å; Y123-W185 HydrophobicContact CD2-CE3 3.92Å; Y123-W185 HydrophobicContact CE1-CB 3.58Å; Y123-W185 HydrophobicContact CE2-CE3 4.45Å; Y123-W185 HydrophobicContact CG-CB 4.49Å; Y123-W185 AromaticContact CG-CE3 3.8Å; Y123-W185 HydrophobicContact CG-CE3 3.8Å; Y123-A189 HydrophobicContact CD1-CB 4Å; Y123-A189 HydrophobicContact CE1-CB 4.01Å; Y123-L393 VanDerWaalsContact CE2-O 3.27Å; Y123-L393 WeakPolarHBondContact CE2-O 3.23Å; Y123-L393 PolarHBondContact OH-O 3.17Å; Y123-I398 HydrophobicContact CD1-CD1 3.74Å; Y123-I398 HydrophobicContact CD2-CD1 4.2Å; Y123-I398 HydrophobicContact CE1-CD1 3.67Å; Y123-I398 HydrophobicContact CE1-CG1 3.96Å; Y123-I398 HydrophobicContact CE2-CD1 4.15Å; Y123-I398 HydrophobicContact CG-CD1 4Å
124H98.8Very high96.8Very high6 Ų655.1 Ų55.13%0.02827%0.274CS..  trans-130.2152.2-172.1-61.391.9000113E112 F118 N119 A122 A128 I129 Y228 Q232E112-H124 IonicContact OE1-CD2 3.83Å; E112-H124 PolarHBondContact OE1-CD2 3.35Å; E112-H124 IonicContact OE1-CE1 3.15Å; E112-H124 IonicContact OE1-NE2 3.65Å; E112-H124 PolarHBondContact OE1-NE2 2.95Å; E112-H124 IonicContact OE2-CD2 3.56Å; E112-H124 IonicContact OE2-NE2 3.18Å; F118-H124 AromaticContact CE1-CE1 3.46Å; F118-H124 VanDerWaalsContact CE1-CE1 3.46Å; F118-H124 WeakPolarHBondContact CE1-CE1 3.26Å; F118-H124 AromaticContact CE1-ND1 3.89Å; F118-H124 AromaticContact CE1-NE2 3.82Å; F118-H124 HydrophobicContact CE2-CB 4.5Å; F118-H124 AromaticContact CE2-CD2 3.59Å; F118-H124 AromaticContact CE2-CE1 3.96Å; F118-H124 AromaticContact CE2-CG 3.8Å; F118-H124 AromaticContact CE2-NE2 3.7Å; F118-H124 HydrophobicContact CZ-CB 4.41Å; F118-H124 AromaticContact CZ-CD2 3.7Å; F118-H124 AromaticContact CZ-CE1 3.3Å; F118-H124 WeakPolarHBondContact CZ-CE1 3.29Å; F118-H124 AromaticContact CZ-CG 3.58Å; F118-H124 AromaticContact CZ-ND1 3.33Å; F118-H124 VanDerWaalsContact CZ-ND1 3.33Å; F118-H124 WeakPolarHBondContact CZ-ND1 3.25Å; F118-H124 AromaticContact CZ-NE2 3.52Å; N119-H124 PolarHBondContact O-CE1 2.98Å; N119-H124 PolarHBondContact O-NE2 2.96Å; A122-H124 PolarHBondContact O-CE1 3.36Å; A122-H124 PolarHBondContact O-ND1 3.3Å; A122-H124 VanDerWaalsContact O-ND1 3.1Å; H124-A128 HydrophobicContact CB-CB 3.98Å; H124-I129 HydrophobicContact CB-CG1 3.9Å; H124-Y228 WeakPolarHBondContact O-CE1 3.46Å; H124-Y228 PolarHBondContact O-OH 3.02Å; H124-Q232 PolarHBondContact O-NE2 2.75Å
125S98.8Very high97.2Very high31 Ų3147 Ų4722%0.21725%0.248CC..  trans-61.9154.8167.369.20000112.5K127 A128 I129 Q232S125-K127 PolarHBondContact O-N 2.94Å; S125-K127 VanDerWaalsContact O-N 3.15Å; S125-A128 PolarHBondContact O-N 2.96Å; S125-A128 PolarHBondContact OG-N 3.11Å; S125-I129 PolarHBondContact O-N 2.03Å; S125-Q232 VanDerWaalsContact CA-OE1 3.27Å
126L98.9Very high97.7Very high13 Ų1344 Ų447%0.06823%0.227CC..Hα-helixtrans-51.9-39.5173.8-176.964000111.8I129 Y130 V222 P225 Y228 V229L126-I129 PolarHBondContact O-N 3Å; L126-Y130 HydrophobicContact CD1-CD1 3.99Å; L126-Y130 HydrophobicContact CD1-CE1 3.47Å; L126-Y130 VanDerWaalsContact CD1-CE1 3.47Å; L126-Y130 HydrophobicContact CD1-CE2 4.11Å; L126-Y130 HydrophobicContact CD2-CE2 4.19Å; L126-Y130 HydrophobicContact CG-CD1 4.48Å; L126-Y130 HydrophobicContact CG-CD2 4.3Å; L126-Y130 HydrophobicContact CG-CE1 4.23Å; L126-Y130 HydrophobicContact CG-CE2 4.04Å; L126-Y130 WeakPolarHBondContact O-CB 3.31Å; L126-Y130 PolarHBondContact O-N 3.46Å; L126-V222 HydrophobicContact CD1-CB 4.06Å; L126-V222 HydrophobicContact CD1-CG1 3.95Å; L126-V222 HydrophobicContact CD1-CG2 3.9Å; L126-P225 HydrophobicContact CD1-CB 4.14Å; L126-P225 HydrophobicContact CD2-CB 3.82Å; L126-Y228 HydrophobicContact CB-CD1 4.13Å; L126-Y228 HydrophobicContact CD1-CD1 4.29Å; L126-V229 HydrophobicContact CB-CG2 3.84Å; L126-V229 HydrophobicContact CD2-CG2 3.58Å; L126-V229 HydrophobicContact CG-CG2 4.35Å
127K98.6Very high98.3Very high176 Ų17637.8 Ų37.877%0.76520%0.196SC*.Hα-helixtrans-62.4-44.7178.7-176.6-177.3176.5-1750111.6S125 Y130 H131S125-K127 PolarHBondContact O-N 2.94Å; S125-K127 VanDerWaalsContact O-N 3.15Å; K127-Y130 PolarHBondContact O-N 3.22Å; K127-H131 WeakPolarHBondContact O-CB 3.45Å; K127-H131 PolarHBondContact O-N 2.98Å
128A98.6Very high98.6Very high22 Ų2235.9 Ų35.918%0.18220%0.196CC..Hα-helixtrans-66.7-41.8178.700000111.5F118 H124 S125 Y130 H131 E132F118-A128 HydrophobicContact CE2-CB 4.45Å; H124-A128 HydrophobicContact CB-CB 3.98Å; S125-A128 PolarHBondContact O-N 2.96Å; S125-A128 PolarHBondContact OG-N 3.11Å; A128-Y130 PolarHBondContact O-N 2.98Å; A128-H131 PolarHBondContact O-N 2.98Å; A128-E132 WeakPolarHBondContact O-CB 3.21Å; A128-E132 PolarHBondContact O-N 3.42Å
129I98.9Very high98.6Very high2 Ų238.9 Ų38.91%0.0121%0.213CC..Hα-helixtrans-59.9-47.7174.1-62.2173.3000110.6H124 S125 L126 H131 E132 M133 Q188 I192 P221 V222 Y228H124-I129 HydrophobicContact CB-CG1 3.9Å; S125-I129 PolarHBondContact O-N 2.03Å; L126-I129 PolarHBondContact O-N 3Å; I129-H131 VanDerWaalsContact C-N 3.32Å; I129-H131 PolarHBondContact O-N 3.25Å; I129-E132 PolarHBondContact O-N 3.29Å; I129-M133 HydrophobicContact CG2-SD 4.25Å; I129-M133 VanDerWaalsContact O-CG 3.28Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 2.82Å; I129-Q188 HydrophobicContact CD1-CB 4.33Å; I129-I192 HydrophobicContact CG2-CD1 4.33Å; I129-I192 HydrophobicContact CG2-CG1 4.45Å; I129-P221 HydrophobicContact CG2-CB 4.16Å; I129-V222 HydrophobicContact CD1-CG2 4.01Å; I129-V222 HydrophobicContact CG2-CG2 4.12Å; I129-Y228 HydrophobicContact CD1-CE1 3.74Å
130Y98.9Very high98.6Very high24 Ų2439 Ų399%0.09421%0.211CC..Hα-helixtrans-64.5-37.1179.3-77.15.1000112.7L126 K127 A128 M133 D134 R146 P157 Y159L126-Y130 HydrophobicContact CD1-CD1 3.99Å; L126-Y130 HydrophobicContact CD1-CE1 3.47Å; L126-Y130 VanDerWaalsContact CD1-CE1 3.47Å; L126-Y130 HydrophobicContact CD1-CE2 4.11Å; L126-Y130 HydrophobicContact CD2-CE2 4.19Å; L126-Y130 HydrophobicContact CG-CD1 4.48Å; L126-Y130 HydrophobicContact CG-CD2 4.3Å; L126-Y130 HydrophobicContact CG-CE1 4.23Å; L126-Y130 HydrophobicContact CG-CE2 4.04Å; L126-Y130 WeakPolarHBondContact O-CB 3.31Å; L126-Y130 PolarHBondContact O-N 3.46Å; K127-Y130 PolarHBondContact O-N 3.22Å; A128-Y130 PolarHBondContact O-N 2.98Å; Y130-M133 HydrophobicContact CD1-SD 3.87Å; Y130-M133 HydrophobicContact CE1-SD 4.37Å; Y130-M133 PolarHBondContact O-N 3.24Å; Y130-D134 PolarHBondContact O-N 3.42Å; Y130-R146 PolarHBondContact O-NH1 3.03Å; Y130-P157 HydrophobicContact CE2-CG 3.98Å; Y130-P157 PolarHBondContact OH-O 3.16Å; Y130-Y159 HydrophobicContact CD1-CD2 4.08Å; Y130-Y159 AromaticContact CD2-CD2 3.62Å; Y130-Y159 HydrophobicContact CD2-CD2 3.62Å; Y130-Y159 AromaticContact CD2-CE2 3.74Å; Y130-Y159 HydrophobicContact CD2-CE2 3.74Å; Y130-Y159 HydrophobicContact CE1-CD2 4.09Å; Y130-Y159 AromaticContact CE2-CD2 3.62Å; Y130-Y159 HydrophobicContact CE2-CD2 3.62Å; Y130-Y159 AromaticContact CE2-CE2 3.91Å; Y130-Y159 HydrophobicContact CE2-CE2 3.91Å; Y130-Y159 AromaticContact CG-CD2 3.84Å; Y130-Y159 HydrophobicContact CG-CD2 3.84Å; Y130-Y159 HydrophobicContact CG-CE2 4.26Å; Y130-Y159 AromaticContact CZ-CD2 3.85Å
131H98.5Very high98.5Very high109 Ų10940.7 Ų40.751%0.50523%0.227SC..Hα-helixtrans-66.5-40.6174.8-174.350.7000111.5K127 A128 I129 M133 D134 N135K127-H131 WeakPolarHBondContact O-CB 3.45Å; K127-H131 PolarHBondContact O-N 2.98Å; A128-H131 PolarHBondContact O-N 2.98Å; I129-H131 VanDerWaalsContact C-N 3.32Å; I129-H131 PolarHBondContact O-N 3.25Å; H131-M133 VanDerWaalsContact C-N 3.32Å; H131-M133 PolarHBondContact O-N 3.15Å; H131-D134 WeakPolarHBondContact O-CA 3.34Å; H131-D134 VanDerWaalsContact O-CB 3.3Å; H131-D134 WeakPolarHBondContact O-CB 3.32Å; H131-D134 PolarHBondContact O-N 2.89Å; H131-N135 PolarHBondContact O-N 3.31Å
132E98.7Very high98.4Very high9 Ų947.4 Ų47.44%0.04226%0.259CS..Hα-helixtrans-68.4-33.1177.2-173.457.4-167.200112.7F118 Y120 A128 I129 D134 N135 I136 I192 R196F118-E132 HydrophobicContact CB-CG 4.22Å; F118-E132 WeakPolarHBondContact CB-OE2 3.39Å; F118-E132 HydrophobicContact CD1-CG 3.89Å; F118-E132 HydrophobicContact CD2-CB 3.56Å; F118-E132 HydrophobicContact CD2-CG 3.71Å; F118-E132 HydrophobicContact CE1-CG 4.13Å; F118-E132 HydrophobicContact CE2-CB 3.57Å; F118-E132 HydrophobicContact CE2-CG 3.95Å; F118-E132 HydrophobicContact CG-CB 4.08Å; F118-E132 HydrophobicContact CG-CG 3.66Å; F118-E132 HydrophobicContact CZ-CB 4.1Å; F118-E132 HydrophobicContact CZ-CG 4.15Å; Y120-E132 HydrophobicContact CE1-CG 4.45Å; Y120-E132 PolarHBondContact OH-OE1 2.87Å; A128-E132 WeakPolarHBondContact O-CB 3.21Å; A128-E132 PolarHBondContact O-N 3.42Å; I129-E132 PolarHBondContact O-N 3.29Å; E132-D134 VanDerWaalsContact C-N 3.27Å; E132-D134 PolarHBondContact O-N 3.22Å; E132-N135 PolarHBondContact O-N 3.01Å; E132-N135 PolarHBondContact OE2-ND2 2.79Å; E132-I136 HydrophobicContact CG-CD1 4.24Å; E132-I136 HydrophobicContact CG-CG1 4.5Å; E132-I136 VanDerWaalsContact O-CG1 3.3Å; E132-I136 WeakPolarHBondContact O-CG1 3.17Å; E132-I136 PolarHBondContact O-N 3.25Å; E132-I192 HydrophobicContact CB-CD1 4.29Å; E132-I192 HydrophobicContact CB-CG1 4.42Å; E132-I192 HydrophobicContact CG-CD1 4.16Å; E132-I192 HydrophobicContact CG-CG1 4.16Å; E132-R196 IonicContact OE1-CZ 3.64Å; E132-R196 IonicContact OE1-NE 3.54Å; E132-R196 IonicContact OE1-NH2 2.84Å; E132-R196 PolarHBondContact OE1-NH2 3.3Å
133M98.8Very high98.4Very high1 Ų147.8 Ų47.81%0.00526%0.26CS..Hα-helixtrans-60.9-36.5168.9-66.7168.476.800112.2I129 Y130 H131 A137 R146 Y159 L161 I192 P221I129-M133 HydrophobicContact CG2-SD 4.25Å; I129-M133 VanDerWaalsContact O-CG 3.28Å; I129-M133 WeakPolarHBondContact O-CG 3.49Å; I129-M133 PolarHBondContact O-N 2.82Å; Y130-M133 HydrophobicContact CD1-SD 3.87Å; Y130-M133 HydrophobicContact CE1-SD 4.37Å; Y130-M133 PolarHBondContact O-N 3.24Å; H131-M133 VanDerWaalsContact C-N 3.32Å; H131-M133 PolarHBondContact O-N 3.15Å; M133-A137 WeakPolarHBondContact O-CB 3.39Å; M133-A137 PolarHBondContact O-N 2.95Å; M133-R146 HydrophobicContact CE-CG 4.3Å; M133-Y159 WeakPolarHBondContact CE-O 3.35Å; M133-L161 HydrophobicContact CB-CD1 4.29Å; M133-L161 HydrophobicContact CB-CD2 4.01Å; M133-L161 HydrophobicContact CB-CG 4.28Å; M133-L161 HydrophobicContact CE-CD2 4.37Å; M133-L161 HydrophobicContact CE-CG 3.86Å; M133-L161 HydrophobicContact CG-CD1 4.01Å; M133-L161 HydrophobicContact CG-CD2 4.47Å; M133-L161 HydrophobicContact CG-CG 4.19Å; M133-I192 HydrophobicContact CG-CD1 3.9Å; M133-P221 HydrophobicContact CE-CG 4.01Å; M133-P221 HydrophobicContact CG-CG 4.4Å; M133-P221 HydrophobicContact SD-CG 3.94Å
134D98.6Very high98.4Very high61 Ų6147.7 Ų47.733%0.32626%0.26SS..Hα-helixtrans-66.4-44.9172.5-79.4-39.5000111.4Y130 H131 E132 A137 A138 R146Y130-D134 PolarHBondContact O-N 3.42Å; H131-D134 WeakPolarHBondContact O-CA 3.34Å; H131-D134 VanDerWaalsContact O-CB 3.3Å; H131-D134 WeakPolarHBondContact O-CB 3.32Å; H131-D134 PolarHBondContact O-N 2.89Å; E132-D134 VanDerWaalsContact C-N 3.27Å; E132-D134 PolarHBondContact O-N 3.22Å; D134-A137 PolarHBondContact O-N 3.47Å; D134-A138 WeakPolarHBondContact O-CB 3.4Å; D134-A138 PolarHBondContact O-N 2.56Å; D134-R146 IonicContact OD1-CZ 3.7Å; D134-R146 IonicContact OD1-NE 3.44Å; D134-R146 PolarHBondContact OD1-NE 3.36Å; D134-R146 VanDerWaalsContact OD1-NE 3.15Å; D134-R146 IonicContact OD1-NH1 3.31Å; D134-R146 PolarHBondContact OD1-NH1 3.07Å; D134-R146 VanDerWaalsContact OD1-NH1 3.14Å; D134-R146 IonicContact OD1-NH2 3.92Å; D134-R146 PolarHBondContact OD1-NH2 3.07Å; D134-R146 IonicContact OD2-CZ 3.65Å; D134-R146 IonicContact OD2-NH1 3.88Å; D134-R146 PolarHBondContact OD2-NH1 3.05Å; D134-R146 IonicContact OD2-NH2 2.75Å; D134-R146 PolarHBondContact OD2-NH2 2.76Å
135N98.4Very high98.3Very high50 Ų5054.7 Ų54.727%0.26729%0.286SS..Hα-helixtrans-60.5-47.3178.6-64.1-20.4000111.2H131 E132 A137 A138 D139H131-N135 PolarHBondContact O-N 3.31Å; E132-N135 PolarHBondContact O-N 3.01Å; E132-N135 PolarHBondContact OE2-ND2 2.79Å; N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 3.43Å; N135-A138 PolarHBondContact O-N 2.83Å; N135-A138 VanDerWaalsContact O-N 3.17Å; N135-D139 WeakPolarHBondContact O-CB 3.38Å; N135-D139 PolarHBondContact O-N 3.44Å
136I98.7Very high98.3Very high0 Ų056.4 Ų56.40%029%0.288CS..Hα-helixtrans-58-42.7176.5-67.3167.3000111.1E132 F140 V144 L161 I192 A195 R196 V199E132-I136 HydrophobicContact CG-CD1 4.24Å; E132-I136 HydrophobicContact CG-CG1 4.5Å; E132-I136 VanDerWaalsContact O-CG1 3.3Å; E132-I136 WeakPolarHBondContact O-CG1 3.17Å; E132-I136 PolarHBondContact O-N 3.25Å; I136-F140 WeakPolarHBondContact O-CD2 3.44Å; I136-F140 PolarHBondContact O-N 2.93Å; I136-F140 VanDerWaalsContact O-N 3.17Å; I136-V144 HydrophobicContact CG2-CG1 4.16Å; I136-V144 HydrophobicContact CG2-CG2 4.33Å; I136-L161 HydrophobicContact CD1-CD1 4.41Å; I136-I192 HydrophobicContact CD1-CD1 4.1Å; I136-A195 HydrophobicContact CD1-CB 3.76Å; I136-R196 HydrophobicContact CD1-CB 4.42Å; I136-R196 VanDerWaalsContact CG1-NH2 3.33Å; I136-V199 HydrophobicContact CG2-CG1 3.83Å; I136-V199 HydrophobicContact CG2-CG2 4.24Å
137A98.5Very high98.3Very high17 Ų1757.9 Ų57.914%0.1430%0.297CS..Hα-helixtrans-70.6-34.6178.700000112.8M133 D134 N135 F140 P141 V144M133-A137 WeakPolarHBondContact O-CB 3.39Å; M133-A137 PolarHBondContact O-N 2.95Å; D134-A137 PolarHBondContact O-N 3.47Å; N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 3.43Å; A137-F140 CarbonylContact O-C 3.5Å; A137-P141 WeakPolarHBondContact O-CA 3.15Å; A137-V144 HydrophobicContact CB-CG1 4.22Å
138A98.3Very high98.3Very high74 Ų7454.9 Ų54.961%0.61228%0.284SS*.Hα-helixtrans-72.8-37.6177.100000112.4D134 N135 F140D134-A138 WeakPolarHBondContact O-CB 3.4Å; D134-A138 PolarHBondContact O-N 2.56Å; N135-A138 PolarHBondContact O-N 2.83Å; N135-A138 VanDerWaalsContact O-N 3.17Å; A138-F140 VanDerWaalsContact C-N 3.34Å
139D98.3Very high98.3Very high94 Ų9455.1 Ų55.150%0.50328%0.282SS..Hα-helixtrans-69.1-32.8177.3-69-16.8000111.8N135 R196N135-D139 WeakPolarHBondContact O-CB 3.38Å; N135-D139 PolarHBondContact O-N 3.44Å; D139-R196 IonicContact OD2-CZ 3.59Å; D139-R196 IonicContact OD2-NH1 2.74Å; D139-R196 PolarHBondContact OD2-NH1 2.98Å; D139-R196 IonicContact OD2-NH2 3.88Å; D139-R196 PolarHBondContact OD2-NH2 3.05Å
140F98.1Very high98.3Very high67 Ų6755.8 Ų55.829%0.29429%0.29SS..  trans-129.860.4-174.7-58.8-87.5000112.7I136 A137 A138 D142 L143 V144 V199I136-F140 WeakPolarHBondContact O-CD2 3.44Å; I136-F140 PolarHBondContact O-N 2.93Å; I136-F140 VanDerWaalsContact O-N 3.17Å; A137-F140 CarbonylContact O-C 3.5Å; A138-F140 VanDerWaalsContact C-N 3.34Å; F140-D142 VanDerWaalsContact C-N 3.27Å; F140-D142 PolarHBondContact O-N 3.02Å; F140-L143 HydrophobicContact CB-CB 4.4Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.08Å; F140-V144 HydrophobicContact CB-CG2 4.23Å; F140-V144 PolarHBondContact O-N 2.78Å; F140-V199 HydrophobicContact CB-CG1 4.28Å; F140-V199 HydrophobicContact CD1-CB 4.1Å; F140-V199 HydrophobicContact CD2-CB 3.62Å; F140-V199 HydrophobicContact CD2-CG1 3.96Å; F140-V199 HydrophobicContact CD2-CG2 3.67Å; F140-V199 HydrophobicContact CE1-CB 4.18Å; F140-V199 HydrophobicContact CE2-CB 3.73Å; F140-V199 HydrophobicContact CE2-CG2 3.42Å; F140-V199 VanDerWaalsContact CE2-CG2 3.42Å; F140-V199 HydrophobicContact CG-CB 3.83Å; F140-V199 HydrophobicContact CG-CG1 4.08Å; F140-V199 HydrophobicContact CG-CG2 4.39Å; F140-V199 HydrophobicContact CZ-CB 4.01Å; F140-V199 HydrophobicContact CZ-CG2 3.93Å
141P97.1Very high98.3Very high74 Ų7458.2 Ų58.248%0.48130%0.301SS..THydrogen-bonded Turntrans-66.9-25.1-16927.9-36.2000114.3A137 L143A137-P141 WeakPolarHBondContact O-CA 3.15Å; P141-L143 VanDerWaalsContact C-N 3.34Å
142D96.2Very high98.3Very high156 Ų15653.3 Ų53.383%0.83428%0.279SS*.THydrogen-bonded Turntrans-79.3-19.7178.3-63.5-36.5000112.8F140F140-D142 VanDerWaalsContact C-N 3.27Å; F140-D142 PolarHBondContact O-N 3.02Å
143L98.1Very high98.3Very high14 Ų1457.1 Ų57.17%0.07330%0.296CS..THydrogen-bonded Turntrans-108.6-38.6-177.1-178.664.3000112.4F140 P141 F163 S164 T165 V199 Y202 L212F140-L143 HydrophobicContact CB-CB 4.4Å; F140-L143 PolarHBondContact O-N 3.49Å; F140-L143 VanDerWaalsContact O-N 3.08Å; P141-L143 VanDerWaalsContact C-N 3.34Å; L143-F163 CarbonylContact O-C 3.55Å; L143-F163 WeakPolarHBondContact O-CA 3.46Å; L143-S164 PolarHBondContact O-N 3.25Å; L143-T165 HydrophobicContact CD1-CG2 4.04Å; L143-V199 HydrophobicContact CD2-CG1 4.15Å; L143-Y202 HydrophobicContact CD1-CD1 4.16Å; L143-Y202 HydrophobicContact CD1-CE1 4.14Å; L143-Y202 HydrophobicContact CD1-CG 4.4Å; L143-Y202 HydrophobicContact CD2-CD1 3.61Å; L143-Y202 HydrophobicContact CD2-CE1 4.33Å; L143-Y202 HydrophobicContact CD2-CG 3.83Å; L143-Y202 HydrophobicContact CG-CD1 4.43Å; L143-L212 HydrophobicContact CD1-CD1 4.21Å
144V98.5Very high98.3Very high2 Ų261.1 Ų61.11%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-120.8134.9-167.5-172.60000112.1I136 A137 F140 L161 K162 F163 V199I136-V144 HydrophobicContact CG2-CG1 4.16Å; I136-V144 HydrophobicContact CG2-CG2 4.33Å; A137-V144 HydrophobicContact CB-CG1 4.22Å; F140-V144 HydrophobicContact CB-CG2 4.23Å; F140-V144 PolarHBondContact O-N 2.78Å; V144-L161 HydrophobicContact CG1-CB 4.34Å; V144-L161 HydrophobicContact CG1-CD2 3.76Å; V144-L161 HydrophobicContact CG1-CG 4.5Å; V144-K162 VanDerWaalsContact CA-O 3.31Å; V144-K162 WeakPolarHBondContact CA-O 3.21Å; V144-F163 HydrophobicContact CB-CD1 4.5Å; V144-F163 HydrophobicContact CG1-CD1 4.4Å; V144-F163 HydrophobicContact CG1-CE1 4.19Å; V144-F163 HydrophobicContact CG2-CD1 3.41Å; V144-F163 VanDerWaalsContact CG2-CD1 3.41Å; V144-F163 HydrophobicContact CG2-CE1 3.64Å; V144-F163 HydrophobicContact CG2-CG 4.38Å; V144-V199 HydrophobicContact CG2-CG1 3.36Å
145R97.9Very high98.3Very high153 Ų15363.9 Ų63.958%0.57733%0.329SS*.EExtended strand (participates in β ladder)trans-132.8137.6169.7-61.5-176.9-176.5171.42.2110.6K162R145-K162 PolarHBondContact N-O 3.49Å; R145-K162 PolarHBondContact O-N 3.04Å
146R98.1Very high98.4Very high67 Ų6764.5 Ų64.525%0.25333%0.328SS..EExtended strand (participates in β ladder)trans-84.3121168.5-164.1175.372179.2-7.5110.1Y130 M133 D134 Y159 V160 L161Y130-R146 PolarHBondContact O-NH1 3.03Å; M133-R146 HydrophobicContact CE-CG 4.3Å; D134-R146 IonicContact OD1-CZ 3.7Å; D134-R146 IonicContact OD1-NE 3.44Å; D134-R146 PolarHBondContact OD1-NE 3.36Å; D134-R146 VanDerWaalsContact OD1-NE 3.15Å; D134-R146 IonicContact OD1-NH1 3.31Å; D134-R146 PolarHBondContact OD1-NH1 3.07Å; D134-R146 VanDerWaalsContact OD1-NH1 3.14Å; D134-R146 IonicContact OD1-NH2 3.92Å; D134-R146 PolarHBondContact OD1-NH2 3.07Å; D134-R146 IonicContact OD2-CZ 3.65Å; D134-R146 IonicContact OD2-NH1 3.88Å; D134-R146 PolarHBondContact OD2-NH1 3.05Å; D134-R146 IonicContact OD2-NH2 2.75Å; D134-R146 PolarHBondContact OD2-NH2 2.76Å; R146-Y159 HydrophobicContact CG-CD1 3.92Å; R146-Y159 HydrophobicContact CG-CG 4.05Å; R146-V160 CarbonylContact C-O 3.55Å; R146-V160 WeakPolarHBondContact CA-O 3Å; R146-L161 HydrophobicContact CB-CD2 4.16Å; R146-L161 HydrophobicContact CG-CD2 4.36Å
147V98.3Very high98.4Very high44 Ų4466 Ų6627%0.26734%0.338SS..EExtended strand (participates in β ladder)trans-112.5128.4-178.3-177.10000108.6I149 Y159 V160 K162 F294V147-I149 HydrophobicContact CG1-CG2 4.33Å; V147-Y159 WeakPolarHBondContact O-CA 3.31Å; V147-V160 PolarHBondContact N-O 3.44Å; V147-V160 PolarHBondContact O-N 3.08Å; V147-K162 HydrophobicContact CG2-CB 4.17Å; V147-F294 HydrophobicContact CG1-CE2 4.32Å
148K98.8Very high98.4Very high112 Ų11265.1 Ų65.149%0.48733%0.331SS..EExtended strand (participates in β ladder)trans-86.5122.4169.2-171.9175.165.4170.90109.3G150 H151 P157 M158 Y159K148-G150 WeakPolarHBondContact CG-O 3.38Å; K148-H151 PolarHBondContact NZ-CE1 2.67Å; K148-H151 PolarHBondContact NZ-NE2 3Å; K148-H151 VanDerWaalsContact NZ-NE2 3.16Å; K148-P157 HydrophobicContact CD-CB 3.74Å; K148-P157 HydrophobicContact CG-CB 4.19Å; K148-M158 WeakPolarHBondContact CA-O 3.47Å; K148-Y159 HydrophobicContact CB-CD1 3.99Å; K148-Y159 HydrophobicContact CB-CE1 3.88Å; K148-Y159 HydrophobicContact CD-CE1 4.36Å; K148-Y159 HydrophobicContact CG-CD1 4.37Å; K148-Y159 HydrophobicContact CG-CE1 4.18Å
149I98.8Very high98.4Very high28 Ų2863.9 Ų63.914%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-99.9-15.8-178.165168000113.5V147 M158 V160 W175 L220 V291 F294V147-I149 HydrophobicContact CG1-CG2 4.33Å; I149-M158 HydrophobicContact CD1-CB 4.34Å; I149-M158 HydrophobicContact CG1-CB 3.67Å; I149-M158 PolarHBondContact N-O 3.44Å; I149-V160 HydrophobicContact CB-CG2 4.47Å; I149-V160 HydrophobicContact CD1-CG2 3.82Å; I149-V160 HydrophobicContact CG1-CG2 4.11Å; I149-V160 HydrophobicContact CG2-CB 4.22Å; I149-V160 HydrophobicContact CG2-CG2 3.57Å; I149-W175 HydrophobicContact CD1-CH2 4.04Å; I149-L220 HydrophobicContact CD1-CD2 4.43Å; I149-V291 HydrophobicContact CD1-CG2 4.02Å; I149-F294 HydrophobicContact CB-CB 4.44Å; I149-F294 HydrophobicContact CB-CD2 4.04Å; I149-F294 HydrophobicContact CB-CG 4.4Å; I149-F294 HydrophobicContact CG2-CB 4.44Å; I149-F294 HydrophobicContact CG2-CD2 3.37Å; I149-F294 HydrophobicContact CG2-CE2 3.64Å; I149-F294 HydrophobicContact CG2-CG 3.89Å; I149-F294 HydrophobicContact CG2-CZ 4.34Å
150G98.8Very high98.4Very high16 Ų1659.4 Ų59.417%0.16529%0.287CS..EExtended strand (participates in β ladder)trans172.8-161-177.300000111.7K148 M158K148-G150 WeakPolarHBondContact CG-O 3.38Å; G150-M158 PolarHBondContact O-N 3.47Å
151H98.9Very high98.5Very high74 Ų7456.2 Ų56.234%0.34327%0.273SS..EExtended strand (participates in β ladder)trans-130.5151.3171.8-56.685.2000109.4K148 R156 V286K148-H151 PolarHBondContact NZ-CE1 2.67Å; K148-H151 PolarHBondContact NZ-NE2 3Å; K148-H151 VanDerWaalsContact NZ-NE2 3.16Å; H151-R156 CarbonylContact C-O 3.11Å; H151-R156 WeakPolarHBondContact CA-O 3.23Å; H151-V286 WeakPolarHBondContact O-CG2 3.25Å
152S98.9Very high98.6Very high6 Ų654.4 Ų54.44%0.04226%0.257CS..  trans-73175.6168.867.10000111.8E154 N155 R156 D226 V286 E287S152-E154 PolarHBondContact O-N 2.92Å; S152-N155 WeakPolarHBondContact O-CA 3.26Å; S152-N155 PolarHBondContact O-N 2.75Å; S152-R156 PolarHBondContact N-O 3.37Å; S152-R156 WeakPolarHBondContact OG-CA 3.17Å; S152-R156 WeakPolarHBondContact OG-CB 3.33Å; S152-R156 PolarHBondContact OG-N 2.83Å; S152-R156 PolarHBondContact OG-O 3.42Å; S152-D226 VanDerWaalsContact CB-CG 3.46Å; S152-D226 VanDerWaalsContact CB-OD1 3.25Å; S152-D226 WeakPolarHBondContact CB-OD1 3.38Å; S152-D226 VanDerWaalsContact CB-OD2 3.25Å; S152-D226 WeakPolarHBondContact CB-OD2 3.04Å; S152-D226 PolarHBondContact OG-OD1 3.19Å; S152-D226 PolarHBondContact OG-OD2 3.5Å; S152-D226 VanDerWaalsContact OG-OD2 3.11Å; S152-V286 VanDerWaalsContact C-CG2 3.43Å; S152-E287 VanDerWaalsContact CA-OE1 3.27Å; S152-E287 WeakPolarHBondContact CA-OE1 3.25Å; S152-E287 VanDerWaalsContact CB-OE1 3.23Å; S152-E287 WeakPolarHBondContact CB-OE1 3.28Å
153F98.9Very high98.7Very high90 Ų9047 Ų4740%0.39522%0.218SC..THydrogen-bonded Turntrans-59-44.5179.3-177.8-93.1000112.7N155 D226 R242 L244 V286 E287F153-N155 PolarHBondContact O-N 2.85Å; F153-D226 PolarHBondContact N-OD2 3.25Å; F153-D226 VanDerWaalsContact N-OD2 3.14Å; F153-R242 VanDerWaalsContact CD1-O 3.32Å; F153-R242 WeakPolarHBondContact CD1-O 3.39Å; F153-L244 HydrophobicContact CE1-CB 4.5Å; F153-L244 HydrophobicContact CE1-CD1 4.46Å; F153-L244 HydrophobicContact CE1-CG 3.87Å; F153-L244 HydrophobicContact CZ-CB 3.99Å; F153-L244 HydrophobicContact CZ-CD1 4.31Å; F153-L244 HydrophobicContact CZ-CG 3.8Å; F153-V286 HydrophobicContact CB-CG2 4.23Å; F153-V286 VanDerWaalsContact N-CG2 3.29Å; F153-E287 PolarHBondContact N-OE1 2.7Å
154E98.8Very high98.7Very high85 Ų8546.9 Ų46.940%0.39722%0.218SC..THydrogen-bonded Turntrans-82.519.5174.6-58.8-177.8171.900112.4S152 R156 D226 R242S152-E154 PolarHBondContact O-N 2.92Å; E154-R156 PolarHBondContact O-N 2.84Å; E154-R156 IonicContact OE2-CZ 3.97Å; E154-R156 IonicContact OE2-NH1 3.91Å; E154-R156 PolarHBondContact OE2-NH1 2.77Å; E154-R156 IonicContact OE2-NH2 3.1Å; E154-R156 PolarHBondContact OE2-NH2 2.98Å; E154-R156 VanDerWaalsContact OE2-NH2 3.14Å; E154-D226 WeakPolarHBondContact CB-OD2 3.47Å; E154-D226 HydrophobicContact CG-CB 4.32Å; E154-D226 PolarHBondContact N-OD2 3.41Å; E154-R242 HydrophobicContact CG-CB 4.31Å
155N98.8Very high98.6Very high118 Ų11848.5 Ų48.563%0.63123%0.228SC*.  trans64.630172-162.638.7000115.2S152 F153S152-N155 WeakPolarHBondContact O-CA 3.26Å; S152-N155 PolarHBondContact O-N 2.75Å; F153-N155 PolarHBondContact O-N 2.85Å
156R98.9Very high98.3Very high63 Ų6341.5 Ų41.524%0.23820%0.203CC..  trans-81.3142.3169.2-59.8-172.9178.476.62.5109.8H151 S152 E154 M158 P225 D226H151-R156 CarbonylContact C-O 3.11Å; H151-R156 WeakPolarHBondContact CA-O 3.23Å; S152-R156 PolarHBondContact N-O 3.37Å; S152-R156 WeakPolarHBondContact OG-CA 3.17Å; S152-R156 WeakPolarHBondContact OG-CB 3.33Å; S152-R156 PolarHBondContact OG-N 2.83Å; S152-R156 PolarHBondContact OG-O 3.42Å; E154-R156 PolarHBondContact O-N 2.84Å; E154-R156 IonicContact OE2-CZ 3.97Å; E154-R156 IonicContact OE2-NH1 3.91Å; E154-R156 PolarHBondContact OE2-NH1 2.77Å; E154-R156 IonicContact OE2-NH2 3.1Å; E154-R156 PolarHBondContact OE2-NH2 2.98Å; E154-R156 VanDerWaalsContact OE2-NH2 3.14Å; R156-M158 PolarHBondContact O-N 3.06Å; R156-P225 HydrophobicContact CB-CB 4.43Å; R156-P225 HydrophobicContact CB-CG 4.38Å; R156-D226 IonicContact CZ-OD1 2.78Å; R156-D226 IonicContact NH1-OD1 2.82Å; R156-D226 PolarHBondContact NH1-OD1 3.05Å
157P98.8Very high97.7Very high31 Ų3147.4 Ų47.420%0.20123%0.234CC..EExtended strand (participates in β ladder)trans-65.7137.8177.927.8-34.2000110.8Y130 K148 Y159Y130-P157 HydrophobicContact CE2-CG 3.98Å; Y130-P157 PolarHBondContact OH-O 3.16Å; K148-P157 HydrophobicContact CD-CB 3.74Å; K148-P157 HydrophobicContact CG-CB 4.19Å; P157-Y159 HydrophobicContact CB-CD1 4.4Å; P157-Y159 HydrophobicContact CB-CD2 4.19Å; P157-Y159 HydrophobicContact CB-CE1 3.9Å; P157-Y159 HydrophobicContact CB-CE2 3.67Å; P157-Y159 VanDerWaalsContact CB-CZ 3.49Å; P157-Y159 HydrophobicContact CG-CD2 4.03Å; P157-Y159 HydrophobicContact CG-CE1 4.42Å; P157-Y159 HydrophobicContact CG-CE2 3.31Å
158M98.9Very high96.9Very high0 Ų047.9 Ų47.90%025%0.247CC..EExtended strand (participates in β ladder)trans-91.6104.8170.4-70.6-75.4-66.300108.8K148 I149 G150 R156 L220 A223 P225 E287K148-M158 WeakPolarHBondContact CA-O 3.47Å; I149-M158 HydrophobicContact CD1-CB 4.34Å; I149-M158 HydrophobicContact CG1-CB 3.67Å; I149-M158 PolarHBondContact N-O 3.44Å; G150-M158 PolarHBondContact O-N 3.47Å; R156-M158 PolarHBondContact O-N 3.06Å; M158-L220 HydrophobicContact CE-CD1 4.2Å; M158-L220 HydrophobicContact CE-CD2 3.85Å; M158-A223 WeakPolarHBondContact CE-O 3.37Å; M158-P225 WeakPolarHBondContact SD-CD 3.47Å; M158-P225 HydrophobicContact SD-CG 3.7Å; M158-E287 HydrophobicContact CE-CB 4.19Å; M158-E287 HydrophobicContact SD-CB 4.38Å; M158-E287 HydrophobicContact SD-CG 4.13Å
159Y98.9Very high96.4Very high48 Ų4845 Ų4519%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-102.2136.1-175.6-70.5-52.4000113.1Y130 M133 R146 V147 K148 P157 L220Y130-Y159 HydrophobicContact CD1-CD2 4.08Å; Y130-Y159 AromaticContact CD2-CD2 3.62Å; Y130-Y159 HydrophobicContact CD2-CD2 3.62Å; Y130-Y159 AromaticContact CD2-CE2 3.74Å; Y130-Y159 HydrophobicContact CD2-CE2 3.74Å; Y130-Y159 HydrophobicContact CE1-CD2 4.09Å; Y130-Y159 AromaticContact CE2-CD2 3.62Å; Y130-Y159 HydrophobicContact CE2-CD2 3.62Å; Y130-Y159 AromaticContact CE2-CE2 3.91Å; Y130-Y159 HydrophobicContact CE2-CE2 3.91Å; Y130-Y159 AromaticContact CG-CD2 3.84Å; Y130-Y159 HydrophobicContact CG-CD2 3.84Å; Y130-Y159 HydrophobicContact CG-CE2 4.26Å; Y130-Y159 AromaticContact CZ-CD2 3.85Å; M133-Y159 WeakPolarHBondContact CE-O 3.35Å; R146-Y159 HydrophobicContact CG-CD1 3.92Å; R146-Y159 HydrophobicContact CG-CG 4.05Å; V147-Y159 WeakPolarHBondContact O-CA 3.31Å; K148-Y159 HydrophobicContact CB-CD1 3.99Å; K148-Y159 HydrophobicContact CB-CE1 3.88Å; K148-Y159 HydrophobicContact CD-CE1 4.36Å; K148-Y159 HydrophobicContact CG-CD1 4.37Å; K148-Y159 HydrophobicContact CG-CE1 4.18Å; P157-Y159 HydrophobicContact CB-CD1 4.4Å; P157-Y159 HydrophobicContact CB-CD2 4.19Å; P157-Y159 HydrophobicContact CB-CE1 3.9Å; P157-Y159 HydrophobicContact CB-CE2 3.67Å; P157-Y159 VanDerWaalsContact CB-CZ 3.49Å; P157-Y159 HydrophobicContact CG-CD2 4.03Å; P157-Y159 HydrophobicContact CG-CE1 4.42Å; P157-Y159 HydrophobicContact CG-CE2 3.31Å; Y159-L220 WeakPolarHBondContact O-CD1 3.32Å
160V98.9Very high96.1Very high0 Ų051.6 Ų51.60%027%0.268CS..EExtended strand (participates in β ladder)trans-121137.8175.7178.10000108.7R146 V147 I149 W175 F218 L219 L220R146-V160 CarbonylContact C-O 3.55Å; R146-V160 WeakPolarHBondContact CA-O 3Å; V147-V160 PolarHBondContact N-O 3.44Å; V147-V160 PolarHBondContact O-N 3.08Å; I149-V160 HydrophobicContact CB-CG2 4.47Å; I149-V160 HydrophobicContact CD1-CG2 3.82Å; I149-V160 HydrophobicContact CG1-CG2 4.11Å; I149-V160 HydrophobicContact CG2-CB 4.22Å; I149-V160 HydrophobicContact CG2-CG2 3.57Å; V160-W175 HydrophobicContact CG1-CZ3 4.28Å; V160-W175 HydrophobicContact CG2-CH2 3.8Å; V160-W175 HydrophobicContact CG2-CZ3 4.22Å; V160-F218 HydrophobicContact CG1-CB 3.86Å; V160-F218 HydrophobicContact CG1-CD1 3.9Å; V160-F218 HydrophobicContact CG1-CG 4.39Å; V160-L219 CarbonylContact C-O 3.46Å; V160-L219 VanDerWaalsContact CA-O 3.3Å; V160-L219 WeakPolarHBondContact CA-O 3.21Å; V160-L220 HydrophobicContact CG2-CB 4.15Å; V160-L220 HydrophobicContact CG2-CD1 4.21Å
161L98.9Very high96.1Very high0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-88.9121.7164.5-69.7175.2000109M133 I136 V144 R146 F163 A195 F218 L219M133-L161 HydrophobicContact CB-CD1 4.29Å; M133-L161 HydrophobicContact CB-CD2 4.01Å; M133-L161 HydrophobicContact CB-CG 4.28Å; M133-L161 HydrophobicContact CE-CD2 4.37Å; M133-L161 HydrophobicContact CE-CG 3.86Å; M133-L161 HydrophobicContact CG-CD1 4.01Å; M133-L161 HydrophobicContact CG-CD2 4.47Å; M133-L161 HydrophobicContact CG-CG 4.19Å; I136-L161 HydrophobicContact CD1-CD1 4.41Å; V144-L161 HydrophobicContact CG1-CB 4.34Å; V144-L161 HydrophobicContact CG1-CD2 3.76Å; V144-L161 HydrophobicContact CG1-CG 4.5Å; R146-L161 HydrophobicContact CB-CD2 4.16Å; R146-L161 HydrophobicContact CG-CD2 4.36Å; L161-F163 HydrophobicContact CB-CE2 3.67Å; L161-F163 HydrophobicContact CB-CZ 3.8Å; L161-F163 HydrophobicContact CD1-CZ 4.01Å; L161-A195 HydrophobicContact CD1-CB 3.61Å; L161-F218 WeakPolarHBondContact O-CA 3.31Å; L161-L219 PolarHBondContact N-O 2.72Å; L161-L219 PolarHBondContact O-N 2.69Å
162K98.8Very high96Very high36 Ų3652 Ų5216%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-95.1121.5169176.9179.9176161.90108.5V144 R145 V147 D216 I217 F218V144-K162 VanDerWaalsContact CA-O 3.31Å; V144-K162 WeakPolarHBondContact CA-O 3.21Å; R145-K162 PolarHBondContact N-O 3.49Å; R145-K162 PolarHBondContact O-N 3.04Å; V147-K162 HydrophobicContact CG2-CB 4.17Å; K162-D216 WeakPolarHBondContact CE-OD2 3.11Å; K162-D216 IonicContact NZ-OD2 3.14Å; K162-D216 PolarHBondContact NZ-OD2 2.84Å; K162-I217 WeakPolarHBondContact CA-O 3.24Å; K162-F218 HydrophobicContact CB-CD1 3.97Å; K162-F218 HydrophobicContact CB-CE1 3.73Å; K162-F218 HydrophobicContact CB-CZ 4.49Å; K162-F218 HydrophobicContact CD-CE1 3.66Å; K162-F218 HydrophobicContact CD-CZ 3.72Å; K162-F218 HydrophobicContact CG-CD1 4.17Å; K162-F218 HydrophobicContact CG-CE1 3.59Å; K162-F218 HydrophobicContact CG-CZ 3.86Å
163F98.8Very high96Very high0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-103.8121.5169.6-51.2-97.1000108.4L143 V144 L161 A195 I198 V199 L212 D216 I217 L219L143-F163 CarbonylContact O-C 3.55Å; L143-F163 WeakPolarHBondContact O-CA 3.46Å; V144-F163 HydrophobicContact CB-CD1 4.5Å; V144-F163 HydrophobicContact CG1-CD1 4.4Å; V144-F163 HydrophobicContact CG1-CE1 4.19Å; V144-F163 HydrophobicContact CG2-CD1 3.41Å; V144-F163 VanDerWaalsContact CG2-CD1 3.41Å; V144-F163 HydrophobicContact CG2-CE1 3.64Å; V144-F163 HydrophobicContact CG2-CG 4.38Å; L161-F163 HydrophobicContact CB-CE2 3.67Å; L161-F163 HydrophobicContact CB-CZ 3.8Å; L161-F163 HydrophobicContact CD1-CZ 4.01Å; F163-A195 HydrophobicContact CZ-CB 3.94Å; F163-I198 HydrophobicContact CB-CG2 4.28Å; F163-I198 HydrophobicContact CD1-CB 4.09Å; F163-I198 HydrophobicContact CD1-CG2 3.49Å; F163-I198 VanDerWaalsContact CD1-CG2 3.49Å; F163-I198 HydrophobicContact CD2-CD1 4.15Å; F163-I198 HydrophobicContact CE1-CB 4.04Å; F163-I198 HydrophobicContact CE1-CD1 4.39Å; F163-I198 HydrophobicContact CE1-CG2 3.98Å; F163-I198 HydrophobicContact CE2-CD1 3.97Å; F163-I198 HydrophobicContact CG-CD1 4.46Å; F163-I198 HydrophobicContact CG-CG2 3.88Å; F163-I198 HydrophobicContact CZ-CD1 4.11Å; F163-V199 HydrophobicContact CD1-CG1 4.09Å; F163-V199 HydrophobicContact CE1-CG1 3.81Å; F163-L212 HydrophobicContact CB-CD2 3.74Å; F163-D216 WeakPolarHBondContact O-CA 3.45Å; F163-I217 HydrophobicContact CB-CB 4.25Å; F163-I217 HydrophobicContact CD2-CB 4.07Å; F163-I217 HydrophobicContact CD2-CG2 4.14Å; F163-I217 PolarHBondContact N-O 2.65Å; F163-I217 PolarHBondContact O-N 3.37Å; F163-L219 HydrophobicContact CE2-CB 3.87Å; F163-L219 HydrophobicContact CE2-CD2 4.22Å; F163-L219 HydrophobicContact CZ-CD2 4.45Å
164S98.4Very high96Very high12 Ų1247.5 Ų47.58%0.08425%0.245CC..  trans-157.8142.8-174.4-176.40000112.1L143 G166 D216L143-S164 PolarHBondContact O-N 3.25Å; S164-G166 PolarHBondContact OG-N 2.87Å; S164-G166 VanDerWaalsContact OG-N 3.11Å; S164-D216 WeakPolarHBondContact CB-OD1 3.37Å; S164-D216 VanDerWaalsContact OG-CG 3.3Å; S164-D216 PolarHBondContact OG-OD1 3.39Å
165T97.4Very high96Very high35 Ų3543.5 Ų43.522%0.21523%0.226CC..SBendtrans-105.613.1170.364.90000111.7L143 R171 Y202 L212L143-T165 HydrophobicContact CD1-CG2 4.04Å; T165-R171 VanDerWaalsContact C-NH1 3.33Å; T165-R171 PolarHBondContact O-NH1 3.08Å; T165-R171 PolarHBondContact O-NH2 3.23Å; T165-R171 PolarHBondContact OG1-NH1 3.16Å; T165-Y202 HydrophobicContact CG2-CE1 4.48Å; T165-Y202 HydrophobicContact CG2-CE2 3.79Å; T165-Y202 WeakPolarHBondContact CG2-OH 3.27Å; T165-L212 HydrophobicContact CG2-CB 4.22Å; T165-L212 PolarHBondContact OG1-O 3.39Å
166G90.3Very high96.1Very high6 Ų638.2 Ų38.26%0.06220%0.198CC..SBendtrans-94.47.9-168.800000116.5S164 G168 A169S164-G166 PolarHBondContact OG-N 2.87Å; S164-G166 VanDerWaalsContact OG-N 3.11Å; G166-G168 PolarHBondContact O-N 3.14Å; G166-A169 VanDerWaalsContact O-CB 3.24Å; G166-A169 WeakPolarHBondContact O-CB 3.46Å; G166-A169 PolarHBondContact O-N 2.9Å
167E86.4Confident96.1Very high191 Ų19135.3 Ų35.389%0.89319%0.187SC*.THydrogen-bonded Turntrans48.932.3177.8-61.7-175.8179.700114.3
168G80.9Confident96.1Very high54 Ų5433.8 Ų33.856%0.55718%0.177SC*.THydrogen-bonded Turntrans96.5-8.9-179.700000115.4G166G166-G168 PolarHBondContact O-N 3.14Å
169A88.2Confident96.1Very high53 Ų5333.8 Ų33.844%0.43818%0.177SC..  trans-62.2144.6168.900000111G166 R171G166-A169 VanDerWaalsContact O-CB 3.24Å; G166-A169 WeakPolarHBondContact O-CB 3.46Å; G166-A169 PolarHBondContact O-N 2.9Å; A169-R171 PolarHBondContact O-N 3.19Å
170R93.4Very high96.1Very high166 Ų16631.8 Ų31.863%0.62617%0.17SC*.  trans-83.3111.3175-179.1173.155.3167.4-5.6109.7H298R170-H298 VanDerWaalsContact CD-O 3.25Å; R170-H298 WeakPolarHBondContact CD-O 3.25Å; R170-H298 PolarHBondContact NH1-O 2.89Å
171R97.4Very high96.1Very high69 Ų6931.9 Ų31.926%0.2617%0.17SC..  trans-105.6165.7-179.8-70.9-174.2173168.60.7111.8T165 A169 A173 E213 H298T165-R171 VanDerWaalsContact C-NH1 3.33Å; T165-R171 PolarHBondContact O-NH1 3.08Å; T165-R171 PolarHBondContact O-NH2 3.23Å; T165-R171 PolarHBondContact OG1-NH1 3.16Å; A169-R171 PolarHBondContact O-N 3.19Å; R171-A173 PolarHBondContact O-N 3.21Å; R171-E213 PolarHBondContact NH1-O 3.38Å; R171-H298 PolarHBondContact O-CE1 2.87Å
172P98.4Very high96.1Very high30 Ų3031.9 Ų31.920%0.19517%0.17CC..  trans-52.5136.5165.3-22.433.5000109.7M215 D216 N300 K302 L420P172-M215 HydrophobicContact CB-CG 4.34Å; P172-M215 CarbonylContact O-C 3.59Å; P172-M215 WeakPolarHBondContact O-CA 3.22Å; P172-M215 WeakPolarHBondContact O-CB 3.38Å; P172-D216 PolarHBondContact O-N 3.19Å; P172-N300 WeakPolarHBondContact CA-O 3.2Å; P172-K302 HydrophobicContact CB-CG 3.83Å; P172-L420 HydrophobicContact CB-CD2 3.87Å; P172-L420 HydrophobicContact CG-CD2 4.34Å
173A98.7Very high96.1Very high0 Ų030.4 Ų30.40%016%0.164CC..EExtended strand (participates in β ladder)trans-128.1151-168.600000113.8R171 D216 F218 H298 N300 F301 K302R171-A173 PolarHBondContact O-N 3.21Å; A173-D216 CarbonylContact C-O 3.48Å; A173-D216 VanDerWaalsContact CA-O 3.25Å; A173-D216 WeakPolarHBondContact CA-O 3.37Å; A173-D216 HydrophobicContact CB-CB 4.26Å; A173-F218 HydrophobicContact CB-CD2 3.9Å; A173-F218 HydrophobicContact CB-CE2 3.75Å; A173-H298 VanDerWaalsContact CB-CE1 3.48Å; A173-H298 WeakPolarHBondContact CB-CE1 3.25Å; A173-N300 PolarHBondContact N-O 3.16Å; A173-F301 HydrophobicContact CB-CD1 3.64Å; A173-F301 HydrophobicContact CB-CE1 3.57Å; A173-F301 HydrophobicContact CB-CG 4.21Å; A173-F301 HydrophobicContact CB-CZ 4.08Å; A173-F301 CarbonylContact O-C 3.1Å; A173-F301 WeakPolarHBondContact O-CA 3.49Å; A173-K302 PolarHBondContact O-N 2.93Å
174I98.9Very high96.1Very high1 Ų130.5 Ų30.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-110126.5171.1-60163.8000107.8I211 M215 D216 I217 F218 C303 M413 V416I174-I211 HydrophobicContact CD1-CG2 4.47Å; I174-M215 HydrophobicContact CD1-CE 3.58Å; I174-M215 HydrophobicContact CD1-SD 4.09Å; I174-M215 HydrophobicContact CG1-CE 4.45Å; I174-M215 HydrophobicContact CG1-SD 4.33Å; I174-D216 PolarHBondContact N-O 2.82Å; I174-I217 HydrophobicContact CD1-CG1 4.46Å; I174-F218 PolarHBondContact O-N 3.14Å; I174-C303 HydrophobicContact CB-CB 4.2Å; I174-C303 HydrophobicContact CG1-CB 3.9Å; I174-C303 HydrophobicContact CG2-CB 3.86Å; I174-M413 HydrophobicContact CD1-CB 3.92Å; I174-M413 HydrophobicContact CD1-CG 3.73Å; I174-M413 HydrophobicContact CD1-SD 4.03Å; I174-V416 HydrophobicContact CG1-CG1 4.41Å
175W98.9Very high96.1Very high0 Ų030 Ų300%016%0.16CC..EExtended strand (participates in β ladder)trans-96.2130.2170.6-176.8-94.8000109.8I149 V160 N177 F218 L220 V291 F294 I295 F301 C303 F304 I305I149-W175 HydrophobicContact CD1-CH2 4.04Å; V160-W175 HydrophobicContact CG1-CZ3 4.28Å; V160-W175 HydrophobicContact CG2-CH2 3.8Å; V160-W175 HydrophobicContact CG2-CZ3 4.22Å; W175-N177 HydrophobicContact CZ2-CB 4.44Å; W175-N177 PolarHBondContact NE1-OD1 3.37Å; W175-F218 HydrophobicContact CE3-CB 3.69Å; W175-F218 HydrophobicContact CZ3-CB 3.99Å; W175-L220 HydrophobicContact CH2-CB 4.29Å; W175-L220 HydrophobicContact CH2-CD2 4.3Å; W175-L220 HydrophobicContact CZ2-CB 3.95Å; W175-L220 HydrophobicContact CZ2-CD2 3.76Å; W175-V291 HydrophobicContact CH2-CG1 4.14Å; W175-V291 HydrophobicContact CH2-CG2 4.3Å; W175-V291 HydrophobicContact CZ2-CB 4.18Å; W175-V291 HydrophobicContact CZ2-CG1 3.45Å; W175-V291 VanDerWaalsContact CZ2-CG1 3.45Å; W175-V291 HydrophobicContact CZ2-CG2 3.74Å; W175-F294 HydrophobicContact CE3-CD1 4.18Å; W175-F294 HydrophobicContact CE3-CE1 4.29Å; W175-F294 HydrophobicContact CH2-CD1 4.28Å; W175-F294 AromaticContact CZ3-CD1 3.5Å; W175-F294 HydrophobicContact CZ3-CD1 3.5Å; W175-F294 AromaticContact CZ3-CE1 3.7Å; W175-F294 HydrophobicContact CZ3-CE1 3.7Å; W175-F294 HydrophobicContact CZ3-CG 4.45Å; W175-I295 HydrophobicContact CD2-CD1 4.08Å; W175-I295 HydrophobicContact CD2-CG1 4.39Å; W175-I295 HydrophobicContact CE3-CG1 4.33Å; W175-I295 HydrophobicContact CG-CD1 4.07Å; W175-F301 HydrophobicContact CB-CD1 3.73Å; W175-F301 HydrophobicContact CB-CE1 3.64Å; W175-F301 AromaticContact CE3-CE1 3.99Å; W175-F301 HydrophobicContact CE3-CE1 3.99Å; W175-F301 AromaticContact CE3-CZ 3.85Å; W175-F301 HydrophobicContact CE3-CZ 3.85Å; W175-C303 PolarHBondContact N-O 3.27Å; W175-F304 HydrophobicContact CB-CD2 4.06Å; W175-F304 AromaticContact CD1-CD2 3.37Å; W175-F304 AromaticContact CD1-CE2 3.16Å; W175-F304 AromaticContact CD1-CG 3.95Å; W175-F304 AromaticContact CD1-CZ 3.56Å; W175-F304 AromaticContact CG-CD2 3.89Å; W175-F304 HydrophobicContact CG-CD2 3.89Å; W175-F304 AromaticContact CG-CE2 3.97Å; W175-F304 HydrophobicContact CG-CE2 3.97Å; W175-F304 AromaticContact NE1-CE2 3.49Å; W175-F304 AromaticContact NE1-CZ 3.68Å; W175-F304 CarbonylContact O-C 3.51Å; W175-F304 WeakPolarHBondContact O-CA 3.46Å; W175-I305 PolarHBondContact O-N 3.4Å
176L98.9Very high96.2Very high8 Ų828.5 Ų28.54%0.04215%0.151CC..EExtended strand (participates in β ladder)trans-130.9122.5173.1178.963.4000108.1T194 F218 L219 L220 I305 L307 L409L176-T194 HydrophobicContact CD2-CG2 4.16Å; L176-F218 PolarHBondContact N-O 2.78Å; L176-L219 HydrophobicContact CB-CD1 4.01Å; L176-L219 HydrophobicContact CD2-CD1 3.7Å; L176-L219 HydrophobicContact CG-CD1 3.64Å; L176-L219 CarbonylContact O-C 3.5Å; L176-L219 VanDerWaalsContact O-CA 3.24Å; L176-L219 WeakPolarHBondContact O-CA 3.47Å; L176-L219 WeakPolarHBondContact O-CD1 3.39Å; L176-L220 PolarHBondContact O-N 3.11Å; L176-I305 WeakPolarHBondContact CA-O 3.41Å; L176-I305 HydrophobicContact CD1-CB 3.61Å; L176-I305 HydrophobicContact CD1-CG2 3.56Å; L176-L307 HydrophobicContact CD1-CD1 3.98Å; L176-L307 HydrophobicContact CD1-CD2 4.09Å; L176-L307 HydrophobicContact CD1-CG 3.81Å; L176-L409 HydrophobicContact CD1-CD2 4.03Å; L176-L409 HydrophobicContact CD2-CD1 4.09Å
177N98.9Very high96.6Very high1 Ų128.2 Ų28.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-128.7157.3172.465.9-157.1000112.3W175 L220 A223 I305 D306 L307W175-N177 HydrophobicContact CZ2-CB 4.44Å; W175-N177 PolarHBondContact NE1-OD1 3.37Å; N177-L220 WeakPolarHBondContact CA-O 3.22Å; N177-L220 HydrophobicContact CB-CB 3.8Å; N177-L220 HydrophobicContact CB-CD2 4.19Å; N177-L220 HydrophobicContact CB-CG 4.23Å; N177-A223 HydrophobicContact CB-CB 4.47Å; N177-I305 PolarHBondContact N-O 3.45Å; N177-D306 WeakPolarHBondContact ND2-CA 3.43Å; N177-D306 VanDerWaalsContact ND2-CG 3.31Å; N177-D306 PolarHBondContact ND2-OD1 3.46Å; N177-L307 PolarHBondContact O-N 3.37Å
178A98.9Very high97.2Very high0 Ų019.1 Ų19.10%011%0.106CC..EExtended strand (participates in β ladder)trans-139.6164176.400000111.3I180 S187 A191 L220 A223 L307A178-I180 VanDerWaalsContact C-N 3.29Å; A178-I180 PolarHBondContact O-N 2.99Å; A178-S187 VanDerWaalsContact CB-O 3.29Å; A178-S187 WeakPolarHBondContact CB-O 3.38Å; A178-A191 HydrophobicContact CB-CB 3.6Å; A178-L220 PolarHBondContact N-O 3.13Å; A178-A223 WeakPolarHBondContact O-CB 3.22Å; A178-A223 PolarHBondContact O-N 3.26Å; A178-L307 HydrophobicContact CB-CB 3.98Å; A178-L307 HydrophobicContact CB-CD1 4.35Å
179G98.9Very high98Very high0 Ų016.8 Ų16.80%08%0.081CC..  trans64.732.5172.900000113.8H181 S187 Q188 N224G179-H181 VanDerWaalsContact C-N 3.27Å; G179-S187 WeakPolarHBondContact CA-OG 3.41Å; G179-S187 PolarHBondContact N-OG 3.15Å; G179-Q188 VanDerWaalsContact CA-CD 3.43Å; G179-N224 WeakPolarHBondContact O-CB 3.41Å; G179-N224 PolarHBondContact O-N 2.8Å; G179-N224 VanDerWaalsContact O-N 3.09Å
180I98.9Very high98.5Very high5 Ų514.2 Ų14.23%0.0266%0.06CC..SBendtrans-67.1-35.6171.6-160.9177.4000109.9A178 A223 N224 P255 N256 W259 H308A178-I180 VanDerWaalsContact C-N 3.29Å; A178-I180 PolarHBondContact O-N 2.99Å; I180-A223 HydrophobicContact CB-CB 3.98Å; I180-A223 HydrophobicContact CG1-CB 4.24Å; I180-N224 WeakPolarHBondContact O-CB 3.47Å; I180-N224 PolarHBondContact O-ND2 3.4Å; I180-P255 HydrophobicContact CD1-CB 4.18Å; I180-P255 HydrophobicContact CG1-CB 3.78Å; I180-P255 HydrophobicContact CG1-CG 3.83Å; I180-P255 WeakPolarHBondContact O-CG 3.24Å; I180-N256 HydrophobicContact CD1-CB 4.46Å; I180-W259 HydrophobicContact CD1-CZ2 4.1Å; I180-H308 WeakPolarHBondContact CG2-CE1 3.44Å
181H98.9Very high98.8Very high3 Ų36.3 Ų6.31%0.0143%0.03CC..SBendtrans-94.7127.2161.3-58.8134.1000110.3G179 R183 E184 R239 D254 N256 H308G179-H181 VanDerWaalsContact C-N 3.27Å; H181-R183 PolarHBondContact O-N 3.22Å; H181-E184 VanDerWaalsContact CB-CD 3.47Å; H181-E184 HydrophobicContact CB-CG 3.93Å; H181-E184 VanDerWaalsContact CB-OE1 3.22Å; H181-E184 WeakPolarHBondContact CB-OE1 3.06Å; H181-E184 IonicContact CE1-OE1 3.78Å; H181-E184 IonicContact CG-OE1 3.38Å; H181-E184 IonicContact ND1-OE1 2.7Å; H181-E184 PolarHBondContact ND1-OE1 3.47Å; H181-E184 IonicContact ND1-OE2 3.71Å; H181-E184 PolarHBondContact O-N 2.87Å; H181-R239 WeakPolarHBondContact CA-O 3.44Å; H181-R239 HydrophobicContact CB-CG 3.87Å; H181-R239 PolarHBondContact CE1-NH1 3Å; H181-R239 PolarHBondContact CE1-NH2 3.25Å; H181-R239 VanDerWaalsContact CG-NH1 3.33Å; H181-R239 PolarHBondContact ND1-NH1 3.38Å; H181-R239 PolarHBondContact ND1-NH2 3.4Å; H181-R239 VanDerWaalsContact NE2-CZ 3.3Å; H181-R239 PolarHBondContact NE2-NH2 2.97Å; H181-D254 IonicContact CD2-OD1 3.73Å; H181-D254 IonicContact NE2-OD1 3.96Å; H181-D254 PolarHBondContact NE2-OD1 3.44Å; H181-D254 VanDerWaalsContact NE2-OD1 3.1Å; H181-D254 IonicContact NE2-OD2 3.55Å; H181-N256 WeakPolarHBondContact NE2-CB 3.46Å; H181-H308 AromaticContact CE1-CE1 3.16Å; H181-H308 PolarHBondContact CE1-CE1 3.1Å; H181-H308 AromaticContact CE1-ND1 3.56Å; H181-H308 AromaticContact ND1-CE1 3.21Å; H181-H308 PolarHBondContact ND1-CE1 3.41Å; H181-H308 AromaticContact ND1-ND1 3.16Å; H181-H308 PolarHBondContact ND1-ND1 3.42Å; H181-H308 VanDerWaalsContact ND1-ND1 3.16Å
182S98.9Very high98.9Very high0 Ų03.1 Ų3.10%02%0.018CC..THydrogen-bonded Turntrans-70.4-31.7-167.138.70000115E184 W185 Q188 G227 Y228 W238 R239S182-E184 VanDerWaalsContact C-N 3.26Å; S182-E184 PolarHBondContact O-N 3.33Å; S182-W185 PolarHBondContact O-NE1 2.83Å; S182-Q188 PolarHBondContact O-NE2 3.2Å; S182-G227 VanDerWaalsContact CB-O 3.31Å; S182-G227 WeakPolarHBondContact CB-O 3.45Å; S182-Y228 VanDerWaalsContact CB-N 3.27Å; S182-W238 PolarHBondContact OG-O 3.47Å; S182-R239 PolarHBondContact N-O 3.09Å; S182-R239 PolarHBondContact OG-O 2.88Å
183R98.8Very high98.9Very high4 Ų43 Ų32%0.0151%0.014CC..THydrogen-bonded Turntrans-73.5-12.1-17968.4-165.2-173.4-179.81.4114.9D52 V53 H181 W185 R236 L237 W238 F391D52-R183 IonicContact OD1-CZ 2.89Å; D52-R183 IonicContact OD1-NH1 2.69Å; D52-R183 PolarHBondContact OD1-NH1 3.41Å; D52-R183 IonicContact OD1-NH2 2.84Å; D52-R183 IonicContact OD2-NH1 2.61Å; D52-R183 PolarHBondContact OD2-NH1 2.73Å; V53-R183 PolarHBondContact O-NH2 3.35Å; H181-R183 PolarHBondContact O-N 3.22Å; R183-W185 PolarHBondContact O-N 2.84Å; R183-R236 WeakPolarHBondContact CB-O 3.02Å; R183-R236 PolarHBondContact O-NH1 3.43Å; R183-L237 WeakPolarHBondContact CD-O 3.33Å; R183-L237 PolarHBondContact NH1-O 3.09Å; R183-W238 WeakPolarHBondContact CB-O 3.48Å; R183-W238 PolarHBondContact N-O 3.45Å; R183-W238 VanDerWaalsContact N-O 3.11Å; R183-F391 HydrophobicContact CG-CD1 4.11Å; R183-F391 HydrophobicContact CG-CD2 4.23Å; R183-F391 HydrophobicContact CG-CE1 4.34Å; R183-F391 HydrophobicContact CG-CE2 4.45Å; R183-F391 HydrophobicContact CG-CG 4.06Å; R183-F391 VanDerWaalsContact CZ-CE2 3.45Å
184E98.9Very high98.9Very high3 Ų33 Ų31%0.0141%0.014CC..  trans-85.451.9-172.7-63.9178.4-162.300111.5H181 S182 I186 S187 Q188 R239 H308 S309 F391H181-E184 VanDerWaalsContact CB-CD 3.47Å; H181-E184 HydrophobicContact CB-CG 3.93Å; H181-E184 VanDerWaalsContact CB-OE1 3.22Å; H181-E184 WeakPolarHBondContact CB-OE1 3.06Å; H181-E184 IonicContact CE1-OE1 3.78Å; H181-E184 IonicContact CG-OE1 3.38Å; H181-E184 IonicContact ND1-OE1 2.7Å; H181-E184 PolarHBondContact ND1-OE1 3.47Å; H181-E184 IonicContact ND1-OE2 3.71Å; H181-E184 PolarHBondContact O-N 2.87Å; S182-E184 VanDerWaalsContact C-N 3.26Å; S182-E184 PolarHBondContact O-N 3.33Å; E184-I186 PolarHBondContact O-N 3.4Å; E184-S187 WeakPolarHBondContact O-CB 3.4Å; E184-S187 PolarHBondContact O-N 2.97Å; E184-S187 PolarHBondContact O-OG 3.35Å; E184-Q188 PolarHBondContact O-OE1 3.14Å; E184-R239 IonicContact OE1-NH1 2.85Å; E184-R239 PolarHBondContact OE1-NH1 2.53Å; E184-R239 VanDerWaalsContact OE1-NH1 3.14Å; E184-H308 IonicContact OE1-ND1 2.78Å; E184-H308 WeakPolarHBondContact OE2-CA 3.49Å; E184-H308 VanDerWaalsContact OE2-CB 3.24Å; E184-H308 WeakPolarHBondContact OE2-CB 3.42Å; E184-H308 IonicContact OE2-CE1 2.98Å; E184-H308 IonicContact OE2-CG 2.75Å; E184-H308 IonicContact OE2-ND1 2.96Å; E184-H308 PolarHBondContact OE2-ND1 3Å; E184-S309 WeakPolarHBondContact CA-OG 3.41Å; E184-S309 WeakPolarHBondContact CB-OG 3.36Å; E184-S309 WeakPolarHBondContact CG-O 3.29Å; E184-S309 PolarHBondContact OE2-N 2.72Å; E184-F391 HydrophobicContact CG-CD1 4.01Å; E184-F391 HydrophobicContact CG-CE1 3.95Å
185W98.9Very high98.9Very high1 Ų12.9 Ų2.90%0.0041%0.014CC..Hα-helixtrans-52.9-31.4-165.1-76.211.3000115.4E101 M105 Y123 S182 R183 S187 Q188 A189 Y228 T231 Q232 R236E101-W185 HydrophobicContact CG-CE3 4.44Å; E101-W185 HydrophobicContact CG-CZ3 3.91Å; E101-W185 WeakPolarHBondContact OE2-CZ3 3.35Å; M105-W185 HydrophobicContact CE-CZ3 4.43Å; M105-W185 HydrophobicContact SD-CE3 4.37Å; M105-W185 HydrophobicContact SD-CH2 3.92Å; M105-W185 HydrophobicContact SD-CZ3 3.42Å; M105-W185 WeakPolarHBondContact SD-CZ3 3.18Å; Y123-W185 HydrophobicContact CD1-CB 3.8Å; Y123-W185 HydrophobicContact CD1-CE3 4.24Å; Y123-W185 AromaticContact CD2-CE3 3.92Å; Y123-W185 HydrophobicContact CD2-CE3 3.92Å; Y123-W185 HydrophobicContact CE1-CB 3.58Å; Y123-W185 HydrophobicContact CE2-CE3 4.45Å; Y123-W185 HydrophobicContact CG-CB 4.49Å; Y123-W185 AromaticContact CG-CE3 3.8Å; Y123-W185 HydrophobicContact CG-CE3 3.8Å; S182-W185 PolarHBondContact O-NE1 2.83Å; R183-W185 PolarHBondContact O-N 2.84Å; W185-S187 PolarHBondContact O-N 3.18Å; W185-Q188 PolarHBondContact O-N 3.1Å; W185-Q188 PolarHBondContact O-OE1 3.1Å; W185-A189 PolarHBondContact O-N 3.18Å; W185-A189 VanDerWaalsContact O-N 3.14Å; W185-Y228 AromaticContact CD1-CD2 3.99Å; W185-Y228 AromaticContact CD1-CE2 3.58Å; W185-Y228 HydrophobicContact CD2-CE2 4.47Å; W185-Y228 HydrophobicContact CG-CE2 4.09Å; W185-Y228 AromaticContact NE1-CD2 3.89Å; W185-Y228 AromaticContact NE1-CE2 3.65Å; W185-T231 PolarHBondContact NE1-OG1 3.36Å; W185-Q232 HydrophobicContact CH2-CG 3.75Å; W185-Q232 HydrophobicContact CZ2-CB 4.4Å; W185-Q232 HydrophobicContact CZ2-CG 3.36Å; W185-R236 VanDerWaalsContact CE2-NE 3.3Å; W185-R236 VanDerWaalsContact CH2-CD 3.47Å; W185-R236 VanDerWaalsContact CZ2-NE 3.32Å
186I98.9Very high98.9Very high3 Ų35 Ų52%0.0152%0.022CC..Hα-helixtrans-59.5-28.3176.6-171.358.2000112.5E184 T190 S309 L383 L393 I398 T401E184-I186 PolarHBondContact O-N 3.4Å; I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 PolarHBondContact O-N 2.79Å; I186-T190 PolarHBondContact O-OG1 3.02Å; I186-S309 WeakPolarHBondContact CG2-OG 3.38Å; I186-L383 HydrophobicContact CG1-CD1 4.46Å; I186-L383 HydrophobicContact CG2-CB 4.23Å; I186-L383 HydrophobicContact CG2-CD1 4.32Å; I186-L393 HydrophobicContact CB-CD2 4.25Å; I186-L393 HydrophobicContact CD1-CD2 3.87Å; I186-L393 HydrophobicContact CG1-CD2 3.74Å; I186-I398 HydrophobicContact CD1-CB 4.24Å; I186-I398 HydrophobicContact CD1-CG1 3.86Å; I186-T401 HydrophobicContact CD1-CG2 4.12Å; I186-T401 HydrophobicContact CG1-CG2 3.78Å
187S98.9Very high98.9Very high0 Ų07.4 Ų7.40%03%0.031CC..Hα-helixtrans-69.3-47.4177.969.10000111.9A178 G179 E184 W185 T190 A191 L307A178-S187 VanDerWaalsContact CB-O 3.29Å; A178-S187 WeakPolarHBondContact CB-O 3.38Å; G179-S187 WeakPolarHBondContact CA-OG 3.41Å; G179-S187 PolarHBondContact N-OG 3.15Å; E184-S187 WeakPolarHBondContact O-CB 3.4Å; E184-S187 PolarHBondContact O-N 2.97Å; E184-S187 PolarHBondContact O-OG 3.35Å; W185-S187 PolarHBondContact O-N 3.18Å; S187-T190 PolarHBondContact O-N 2.98Å; S187-A191 WeakPolarHBondContact O-CB 3.42Å; S187-A191 PolarHBondContact O-N 3.32Å; S187-L307 WeakPolarHBondContact CB-O 3.49Å
188Q98.9Very high98.9Very high0 Ų07.4 Ų7.40%03%0.032CC..Hα-helixtrans-62.4-44.3176.7-65.187.3-2300111I129 G179 S182 E184 W185 A191 I192 P221 V222 Y228I129-Q188 HydrophobicContact CD1-CB 4.33Å; G179-Q188 VanDerWaalsContact CA-CD 3.43Å; S182-Q188 PolarHBondContact O-NE2 3.2Å; E184-Q188 PolarHBondContact O-OE1 3.14Å; W185-Q188 PolarHBondContact O-N 3.1Å; W185-Q188 PolarHBondContact O-OE1 3.1Å; Q188-A191 PolarHBondContact O-N 3.44Å; Q188-I192 PolarHBondContact O-N 3.35Å; Q188-P221 WeakPolarHBondContact CG-O 3.28Å; Q188-V222 HydrophobicContact CG-CG1 4.49Å; Q188-V222 HydrophobicContact CG-CG2 4.08Å; Q188-Y228 HydrophobicContact CB-CE2 4.38Å; Q188-Y228 HydrophobicContact CG-CD2 4.17Å; Q188-Y228 HydrophobicContact CG-CE2 3.95Å
189A98.9Very high98.9Very high5 Ų57.7 Ų7.74%0.0413%0.033CC..Hα-helixtrans-63.2-43.9178.300000111.8Y123 W185 A191 I192 W193 I398Y123-A189 HydrophobicContact CD1-CB 4Å; Y123-A189 HydrophobicContact CE1-CB 4.01Å; W185-A189 PolarHBondContact O-N 3.18Å; W185-A189 VanDerWaalsContact O-N 3.14Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 2.88Å; A189-I192 WeakPolarHBondContact O-CG2 3.29Å; A189-I192 PolarHBondContact O-N 3.36Å; A189-W193 WeakPolarHBondContact O-CB 3.41Å; A189-W193 PolarHBondContact O-N 2.97Å; A189-W193 VanDerWaalsContact O-N 3.08Å; A189-I398 HydrophobicContact CB-CD1 4.17Å; A189-I398 HydrophobicContact CB-CG1 4.26Å; A189-I398 HydrophobicContact CB-CG2 3.71Å
190T98.9Very high98.9Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-62.2-39.8174.5-64.10000111.8I186 S187 T194 L307 L383 A402 T405I186-T190 WeakPolarHBondContact O-CB 3.44Å; I186-T190 PolarHBondContact O-N 2.79Å; I186-T190 PolarHBondContact O-OG1 3.02Å; S187-T190 PolarHBondContact O-N 2.98Å; T190-T194 WeakPolarHBondContact O-CB 3.45Å; T190-T194 PolarHBondContact O-N 3.23Å; T190-T194 PolarHBondContact O-OG1 2.74Å; T190-L307 HydrophobicContact CG2-CD1 4.32Å; T190-L383 HydrophobicContact CG2-CD1 4.35Å; T190-A402 HydrophobicContact CG2-CB 4.12Å; T190-T405 HydrophobicContact CG2-CG2 4.22Å
191A98.9Very high98.9Very high0 Ų010.7 Ų10.70%05%0.053CC..Hα-helixtrans-66-47.5179.200000112.2A178 S187 Q188 A189 W193 T194 A195 L219 P221A178-A191 HydrophobicContact CB-CB 3.6Å; S187-A191 WeakPolarHBondContact O-CB 3.42Å; S187-A191 PolarHBondContact O-N 3.32Å; Q188-A191 PolarHBondContact O-N 3.44Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 2.88Å; A191-W193 VanDerWaalsContact C-N 3.34Å; A191-W193 PolarHBondContact O-N 2.78Å; A191-T194 WeakPolarHBondContact O-CB 3.32Å; A191-T194 PolarHBondContact O-N 2.67Å; A191-T194 VanDerWaalsContact O-N 3.11Å; A191-A195 PolarHBondContact O-N 3.48Å; A191-L219 HydrophobicContact CB-CD1 4.07Å; A191-L219 WeakPolarHBondContact O-CD2 3.13Å; A191-P221 HydrophobicContact CB-CB 4.05Å
192I98.9Very high98.8Very high1 Ų113 Ų131%0.0056%0.061CC..Hα-helixtrans-67-35.5179-167.261000111.9F118 Y120 I129 E132 M133 I136 Q188 A189 T194 A195 R196F118-I192 HydrophobicContact CE1-CG1 4.29Å; F118-I192 HydrophobicContact CE1-CG2 4.29Å; F118-I192 HydrophobicContact CZ-CG1 4.16Å; F118-I192 HydrophobicContact CZ-CG2 4.28Å; Y120-I192 HydrophobicContact CE1-CG1 4.32Å; I129-I192 HydrophobicContact CG2-CD1 4.33Å; I129-I192 HydrophobicContact CG2-CG1 4.45Å; E132-I192 HydrophobicContact CB-CD1 4.29Å; E132-I192 HydrophobicContact CB-CG1 4.42Å; E132-I192 HydrophobicContact CG-CD1 4.16Å; E132-I192 HydrophobicContact CG-CG1 4.16Å; M133-I192 HydrophobicContact CG-CD1 3.9Å; I136-I192 HydrophobicContact CD1-CD1 4.1Å; Q188-I192 PolarHBondContact O-N 3.35Å; A189-I192 WeakPolarHBondContact O-CG2 3.29Å; A189-I192 PolarHBondContact O-N 3.36Å; I192-T194 VanDerWaalsContact C-N 3.34Å; I192-T194 PolarHBondContact O-N 3.33Å; I192-A195 HydrophobicContact CD1-CB 4.42Å; I192-A195 WeakPolarHBondContact O-CB 3.41Å; I192-A195 PolarHBondContact O-N 2.94Å; I192-R196 PolarHBondContact O-N 2.99Å
193W98.9Very high98.8Very high27 Ų2720 Ų2010%0.10210%0.095CC..Hα-helixtrans-60.5-43.6169.2-178.7102.9000111.5Y120 A189 A191 A195 R196 K197 A402 E403 W406Y120-W193 HydrophobicContact CD1-CB 4.13Å; A189-W193 WeakPolarHBondContact O-CB 3.41Å; A189-W193 PolarHBondContact O-N 2.97Å; A189-W193 VanDerWaalsContact O-N 3.08Å; A191-W193 VanDerWaalsContact C-N 3.34Å; A191-W193 PolarHBondContact O-N 2.78Å; W193-A195 VanDerWaalsContact C-N 3.29Å; W193-A195 PolarHBondContact O-N 3.18Å; W193-R196 PolarHBondContact O-N 2.79Å; W193-R196 VanDerWaalsContact O-N 3.17Å; W193-K197 HydrophobicContact CE3-CB 3.95Å; W193-K197 HydrophobicContact CE3-CG 4.47Å; W193-K197 HydrophobicContact CH2-CB 3.9Å; W193-K197 HydrophobicContact CH2-CD 3.73Å; W193-K197 HydrophobicContact CH2-CG 3.57Å; W193-K197 HydrophobicContact CZ2-CB 4.49Å; W193-K197 HydrophobicContact CZ2-CD 4.15Å; W193-K197 HydrophobicContact CZ2-CG 4.37Å; W193-K197 HydrophobicContact CZ3-CB 3.58Å; W193-K197 HydrophobicContact CZ3-CD 4.28Å; W193-K197 HydrophobicContact CZ3-CG 3.61Å; W193-K197 PolarHBondContact O-N 3.03Å; W193-A402 HydrophobicContact CB-CB 4.03Å; W193-A402 HydrophobicContact CD2-CB 3.52Å; W193-A402 HydrophobicContact CE3-CB 3.59Å; W193-A402 HydrophobicContact CG-CB 3.71Å; W193-A402 HydrophobicContact CZ3-CB 4.29Å; W193-E403 HydrophobicContact CH2-CG 4Å; W193-E403 HydrophobicContact CZ2-CG 3.54Å; W193-W406 HydrophobicContact CH2-CB 4.07Å; W193-W406 HydrophobicContact CH2-CG 4.27Å; W193-W406 HydrophobicContact CZ3-CB 3.75Å; W193-W406 HydrophobicContact CZ3-CG 4.06Å
194T98.9Very high98.7Very high0 Ų029.7 Ų29.70%013%0.131CC..Hα-helixtrans-61-39.3178.4-61.30000111.3L176 T190 A191 I192 R196 K197 I198 W406 L409L176-T194 HydrophobicContact CD2-CG2 4.16Å; T190-T194 WeakPolarHBondContact O-CB 3.45Å; T190-T194 PolarHBondContact O-N 3.23Å; T190-T194 PolarHBondContact O-OG1 2.74Å; A191-T194 WeakPolarHBondContact O-CB 3.32Å; A191-T194 PolarHBondContact O-N 2.67Å; A191-T194 VanDerWaalsContact O-N 3.11Å; I192-T194 VanDerWaalsContact C-N 3.34Å; I192-T194 PolarHBondContact O-N 3.33Å; T194-R196 PolarHBondContact O-N 3.32Å; T194-K197 WeakPolarHBondContact O-CB 3.31Å; T194-K197 PolarHBondContact O-N 2.78Å; T194-I198 HydrophobicContact CG2-CD1 4.09Å; T194-I198 HydrophobicContact CG2-CG1 4.43Å; T194-I198 VanDerWaalsContact O-CG1 3.32Å; T194-I198 WeakPolarHBondContact O-CG1 3.12Å; T194-I198 PolarHBondContact O-N 3.14Å; T194-W406 HydrophobicContact CG2-CE3 3.96Å; T194-W406 HydrophobicContact CG2-CZ3 3.89Å; T194-L409 HydrophobicContact CG2-CD1 4.26Å
195A98.9Very high98.7Very high0 Ų031.1 Ų31.10%014%0.139CC..Hα-helixtrans-57.4-47.6175.400000112I136 L161 F163 A191 I192 W193 K197 I198 V199 L219I136-A195 HydrophobicContact CD1-CB 3.76Å; L161-A195 HydrophobicContact CD1-CB 3.61Å; F163-A195 HydrophobicContact CZ-CB 3.94Å; A191-A195 PolarHBondContact O-N 3.48Å; I192-A195 HydrophobicContact CD1-CB 4.42Å; I192-A195 WeakPolarHBondContact O-CB 3.41Å; I192-A195 PolarHBondContact O-N 2.94Å; W193-A195 VanDerWaalsContact C-N 3.29Å; W193-A195 PolarHBondContact O-N 3.18Å; A195-K197 VanDerWaalsContact C-N 3.34Å; A195-I198 PolarHBondContact O-N 3.29Å; A195-V199 PolarHBondContact O-N 3.24Å; A195-L219 HydrophobicContact CB-CD2 3.73Å
196R98.8Very high98.7Very high45 Ų4536.2 Ų36.217%0.1717%0.172CC..Hα-helixtrans-67.4-35.9176.4-175.657.166171.12.9112Y120 E132 I136 D139 I192 W193 T194 V199 S200Y120-R196 HydrophobicContact CD1-CB 4.5Å; Y120-R196 HydrophobicContact CE1-CB 3.62Å; Y120-R196 HydrophobicContact CE1-CG 4.23Å; Y120-R196 HydrophobicContact CE2-CB 4.21Å; Y120-R196 HydrophobicContact CE2-CG 3.88Å; Y120-R196 VanDerWaalsContact CZ-CB 3.46Å; Y120-R196 VanDerWaalsContact OH-CB 3.24Å; Y120-R196 WeakPolarHBondContact OH-CB 3.34Å; Y120-R196 WeakPolarHBondContact OH-CG 3.47Å; Y120-R196 PolarHBondContact OH-NE 3.16Å; E132-R196 IonicContact OE1-CZ 3.64Å; E132-R196 IonicContact OE1-NE 3.54Å; E132-R196 IonicContact OE1-NH2 2.84Å; E132-R196 PolarHBondContact OE1-NH2 3.3Å; I136-R196 HydrophobicContact CD1-CB 4.42Å; I136-R196 VanDerWaalsContact CG1-NH2 3.33Å; D139-R196 IonicContact OD2-CZ 3.59Å; D139-R196 IonicContact OD2-NH1 2.74Å; D139-R196 PolarHBondContact OD2-NH1 2.98Å; D139-R196 IonicContact OD2-NH2 3.88Å; D139-R196 PolarHBondContact OD2-NH2 3.05Å; I192-R196 PolarHBondContact O-N 2.99Å; W193-R196 PolarHBondContact O-N 2.79Å; W193-R196 VanDerWaalsContact O-N 3.17Å; T194-R196 PolarHBondContact O-N 3.32Å; R196-V199 WeakPolarHBondContact O-CG2 3.06Å; R196-V199 PolarHBondContact O-N 2.83Å; R196-S200 VanDerWaalsContact O-CB 3.26Å; R196-S200 WeakPolarHBondContact O-CB 3.48Å; R196-S200 PolarHBondContact O-N 2.79Å; R196-S200 PolarHBondContact O-OG 2.81Å
197K98.9Very high98.6Very high57 Ų5736.7 Ų36.725%0.24818%0.176CC..Hα-helixtrans-61.9-44.3177.4-171.957167.1155.80111.9W193 T194 A195 V199 S200 D201 W406W193-K197 HydrophobicContact CE3-CB 3.95Å; W193-K197 HydrophobicContact CE3-CG 4.47Å; W193-K197 HydrophobicContact CH2-CB 3.9Å; W193-K197 HydrophobicContact CH2-CD 3.73Å; W193-K197 HydrophobicContact CH2-CG 3.57Å; W193-K197 HydrophobicContact CZ2-CB 4.49Å; W193-K197 HydrophobicContact CZ2-CD 4.15Å; W193-K197 HydrophobicContact CZ2-CG 4.37Å; W193-K197 HydrophobicContact CZ3-CB 3.58Å; W193-K197 HydrophobicContact CZ3-CD 4.28Å; W193-K197 HydrophobicContact CZ3-CG 3.61Å; W193-K197 PolarHBondContact O-N 3.03Å; T194-K197 WeakPolarHBondContact O-CB 3.31Å; T194-K197 PolarHBondContact O-N 2.78Å; A195-K197 VanDerWaalsContact C-N 3.34Å; K197-V199 PolarHBondContact O-N 3.48Å; K197-S200 PolarHBondContact O-N 3.43Å; K197-D201 WeakPolarHBondContact CD-OD2 3.35Å; K197-D201 WeakPolarHBondContact CE-OD2 3.49Å; K197-D201 IonicContact NZ-OD1 2.71Å; K197-D201 PolarHBondContact NZ-OD1 3.17Å; K197-D201 IonicContact NZ-OD2 2.7Å; K197-D201 PolarHBondContact NZ-OD2 3.07Å; K197-D201 VanDerWaalsContact O-CB 3.31Å; K197-D201 WeakPolarHBondContact O-CB 3.13Å; K197-D201 PolarHBondContact O-N 3.1Å; K197-W406 HydrophobicContact CG-CD2 3.94Å; K197-W406 HydrophobicContact CG-CG 4.14Å; K197-W406 HydrophobicContact CG-CZ2 4.15Å
198I98.9Very high98.6Very high2 Ų236.7 Ų36.71%0.0118%0.176CC..Hα-helixtrans-57.8-51.1178.6-67.6163.5000111F163 T194 A195 S200 D201 Y202 I208 L212 I217 W406F163-I198 HydrophobicContact CB-CG2 4.28Å; F163-I198 HydrophobicContact CD1-CB 4.09Å; F163-I198 HydrophobicContact CD1-CG2 3.49Å; F163-I198 VanDerWaalsContact CD1-CG2 3.49Å; F163-I198 HydrophobicContact CD2-CD1 4.15Å; F163-I198 HydrophobicContact CE1-CB 4.04Å; F163-I198 HydrophobicContact CE1-CD1 4.39Å; F163-I198 HydrophobicContact CE1-CG2 3.98Å; F163-I198 HydrophobicContact CE2-CD1 3.97Å; F163-I198 HydrophobicContact CG-CD1 4.46Å; F163-I198 HydrophobicContact CG-CG2 3.88Å; F163-I198 HydrophobicContact CZ-CD1 4.11Å; T194-I198 HydrophobicContact CG2-CD1 4.09Å; T194-I198 HydrophobicContact CG2-CG1 4.43Å; T194-I198 VanDerWaalsContact O-CG1 3.32Å; T194-I198 WeakPolarHBondContact O-CG1 3.12Å; T194-I198 PolarHBondContact O-N 3.14Å; A195-I198 PolarHBondContact O-N 3.29Å; I198-S200 VanDerWaalsContact C-N 3.34Å; I198-S200 PolarHBondContact O-N 3.2Å; I198-D201 PolarHBondContact O-N 3.34Å; I198-Y202 WeakPolarHBondContact O-CB 3.37Å; I198-Y202 PolarHBondContact O-N 2.74Å; I198-I208 HydrophobicContact CG2-CG1 4.44Å; I198-L212 HydrophobicContact CG2-CD1 3.83Å; I198-I217 HydrophobicContact CD1-CD1 4.31Å; I198-I217 HydrophobicContact CD1-CG2 4.33Å; I198-W406 HydrophobicContact CG1-CH2 3.79Å; I198-W406 HydrophobicContact CG1-CZ3 3.99Å
199V98.7Very high98.6Very high5 Ų537.5 Ų37.53%0.0318%0.181CC..Hα-helixtrans-69.1-32.5-178.9-59.20000113.1I136 F140 L143 V144 F163 A195 R196 K197I136-V199 HydrophobicContact CG2-CG1 3.83Å; I136-V199 HydrophobicContact CG2-CG2 4.24Å; F140-V199 HydrophobicContact CB-CG1 4.28Å; F140-V199 HydrophobicContact CD1-CB 4.1Å; F140-V199 HydrophobicContact CD2-CB 3.62Å; F140-V199 HydrophobicContact CD2-CG1 3.96Å; F140-V199 HydrophobicContact CD2-CG2 3.67Å; F140-V199 HydrophobicContact CE1-CB 4.18Å; F140-V199 HydrophobicContact CE2-CB 3.73Å; F140-V199 HydrophobicContact CE2-CG2 3.42Å; F140-V199 VanDerWaalsContact CE2-CG2 3.42Å; F140-V199 HydrophobicContact CG-CB 3.83Å; F140-V199 HydrophobicContact CG-CG1 4.08Å; F140-V199 HydrophobicContact CG-CG2 4.39Å; F140-V199 HydrophobicContact CZ-CB 4.01Å; F140-V199 HydrophobicContact CZ-CG2 3.93Å; L143-V199 HydrophobicContact CD2-CG1 4.15Å; V144-V199 HydrophobicContact CG2-CG1 3.36Å; F163-V199 HydrophobicContact CD1-CG1 4.09Å; F163-V199 HydrophobicContact CE1-CG1 3.81Å; A195-V199 PolarHBondContact O-N 3.24Å; R196-V199 WeakPolarHBondContact O-CG2 3.06Å; R196-V199 PolarHBondContact O-N 2.83Å; K197-V199 PolarHBondContact O-N 3.48Å
200S98.3Very high98.5Very high43 Ų4338.8 Ų38.830%0.30119%0.19SC..Hα-helixtrans-75.2-27.5-178.8-56.90000112.7R196 K197 I198 R204R196-S200 VanDerWaalsContact O-CB 3.26Å; R196-S200 WeakPolarHBondContact O-CB 3.48Å; R196-S200 PolarHBondContact O-N 2.79Å; R196-S200 PolarHBondContact O-OG 2.81Å; K197-S200 PolarHBondContact O-N 3.43Å; I198-S200 VanDerWaalsContact C-N 3.34Å; I198-S200 PolarHBondContact O-N 3.2Å; S200-R204 WeakPolarHBondContact O-CD 3.43Å
201D98.6Very high98.5Very high25 Ų2538.8 Ų38.813%0.13419%0.19CC..Hα-helixtrans-99.5-16.3-177.8-76.99.9000113.2K197 I198 Q203 R204 D205 I208K197-D201 WeakPolarHBondContact CD-OD2 3.35Å; K197-D201 WeakPolarHBondContact CE-OD2 3.49Å; K197-D201 IonicContact NZ-OD1 2.71Å; K197-D201 PolarHBondContact NZ-OD1 3.17Å; K197-D201 IonicContact NZ-OD2 2.7Å; K197-D201 PolarHBondContact NZ-OD2 3.07Å; K197-D201 VanDerWaalsContact O-CB 3.31Å; K197-D201 WeakPolarHBondContact O-CB 3.13Å; K197-D201 PolarHBondContact O-N 3.1Å; I198-D201 PolarHBondContact O-N 3.34Å; D201-Q203 PolarHBondContact O-N 3.19Å; D201-R204 CarbonylContact O-C 3.59Å; D201-R204 WeakPolarHBondContact O-CA 3.32Å; D201-R204 PolarHBondContact O-N 2.62Å; D201-D205 HydrophobicContact CB-CB 4.01Å; D201-D205 PolarHBondContact O-N 3.43Å; D201-I208 HydrophobicContact CB-CG2 3.77Å
202Y98.3Very high98.5Very high51 Ų5138.8 Ų38.820%0.219%0.19CC..THydrogen-bonded Turntrans-59.6133174179.5-113.4000110.8L143 T165 I198 R204 T209 L212L143-Y202 HydrophobicContact CD1-CD1 4.16Å; L143-Y202 HydrophobicContact CD1-CE1 4.14Å; L143-Y202 HydrophobicContact CD1-CG 4.4Å; L143-Y202 HydrophobicContact CD2-CD1 3.61Å; L143-Y202 HydrophobicContact CD2-CE1 4.33Å; L143-Y202 HydrophobicContact CD2-CG 3.83Å; L143-Y202 HydrophobicContact CG-CD1 4.43Å; T165-Y202 HydrophobicContact CG2-CE1 4.48Å; T165-Y202 HydrophobicContact CG2-CE2 3.79Å; T165-Y202 WeakPolarHBondContact CG2-OH 3.27Å; I198-Y202 WeakPolarHBondContact O-CB 3.37Å; I198-Y202 PolarHBondContact O-N 2.74Å; Y202-R204 PolarHBondContact O-N 3.04Å; Y202-T209 HydrophobicContact CD2-CG2 4.26Å; Y202-T209 HydrophobicContact CE2-CG2 4.04Å; Y202-L212 HydrophobicContact CD2-CB 4.1Å; Y202-L212 HydrophobicContact CD2-CD1 3.53Å; Y202-L212 HydrophobicContact CD2-CG 4.47Å; Y202-L212 HydrophobicContact CE2-CB 4.05Å; Y202-L212 HydrophobicContact CE2-CD1 4.25Å; Y202-L212 HydrophobicContact CG-CD1 4.04Å
203Q97.8Very high98.4Very high149 Ų14944 Ų4470%0.69621%0.214SC*.THydrogen-bonded Turntrans64.810.2-169.6-57.1179.4-6.400115.6D201 T209D201-Q203 PolarHBondContact O-N 3.19Å; Q203-T209 WeakPolarHBondContact CA-OG1 3.03Å; Q203-T209 PolarHBondContact N-OG1 2.82Å
204R98.2Very high98.4Very high207 Ų20747.6 Ų47.678%0.78123%0.231SC*.THydrogen-bonded Turntrans-123.3-49.7175.7-70.2179.4167.5176.3-4.2112.9S200 D201 Y202S200-R204 WeakPolarHBondContact O-CD 3.43Å; D201-R204 CarbonylContact O-C 3.59Å; D201-R204 WeakPolarHBondContact O-CA 3.32Å; D201-R204 PolarHBondContact O-N 2.62Å; Y202-R204 PolarHBondContact O-N 3.04Å
205D98.3Very high98.4Very high33 Ų3347.6 Ų47.618%0.17623%0.231CC..SBendtrans-89.1119.2171.2172.694.9000109D201 A207 I208 T209 K410D201-D205 HydrophobicContact CB-CB 4.01Å; D201-D205 PolarHBondContact O-N 3.43Å; D205-A207 PolarHBondContact O-N 3.41Å; D205-A207 WeakPolarHBondContact OD2-CA 3.48Å; D205-A207 WeakPolarHBondContact OD2-CB 3.3Å; D205-A207 PolarHBondContact OD2-N 3.06Å; D205-A207 VanDerWaalsContact OD2-N 3.09Å; D205-I208 HydrophobicContact CB-CG2 3.9Å; D205-I208 PolarHBondContact OD2-N 2.74Å; D205-T209 WeakPolarHBondContact O-CB 3.29Å; D205-T209 PolarHBondContact O-N 3.04Å; D205-T209 VanDerWaalsContact O-N 3.15Å; D205-T209 PolarHBondContact O-OG1 3.16Å; D205-K410 IonicContact OD1-NZ 3.33Å; D205-K410 PolarHBondContact OD1-NZ 2.98Å; D205-K410 IonicContact OD2-NZ 2.74Å
206P98.3Very high98.4Very high107 Ų10747.6 Ų47.670%0.69523%0.231SC*.Hα-helixtrans-61.6-30.1-177-26.135000113.8S210P206-S210 VanDerWaalsContact O-CB 3.28Å; P206-S210 WeakPolarHBondContact O-CB 3.45Å; P206-S210 PolarHBondContact O-N 2.87Å
207A97.4Very high98.4Very high13 Ų1345.6 Ų45.611%0.10722%0.223CC..Hα-helixtrans-70.8-53.1-176.500000111.5D205 T209 S210 I211 K410 E414D205-A207 PolarHBondContact O-N 3.41Å; D205-A207 WeakPolarHBondContact OD2-CA 3.48Å; D205-A207 WeakPolarHBondContact OD2-CB 3.3Å; D205-A207 PolarHBondContact OD2-N 3.06Å; D205-A207 VanDerWaalsContact OD2-N 3.09Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3.18Å; A207-S210 PolarHBondContact O-N 3.34Å; A207-I211 WeakPolarHBondContact O-CB 3.28Å; A207-I211 WeakPolarHBondContact O-CD1 3.4Å; A207-I211 VanDerWaalsContact O-CG1 3.27Å; A207-I211 WeakPolarHBondContact O-CG1 3.5Å; A207-I211 PolarHBondContact O-N 3.11Å; A207-K410 HydrophobicContact CB-CD 4Å; A207-K410 HydrophobicContact CB-CG 4.36Å; A207-E414 HydrophobicContact CB-CG 4.29Å; A207-E414 VanDerWaalsContact CB-OE1 3.27Å; A207-E414 WeakPolarHBondContact CB-OE1 3.45Å
208I98.4Very high98.4Very high0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-66.7-33.2178-166.355.1000112I198 D201 D205 I211 L212 I217 W406 M413I198-I208 HydrophobicContact CG2-CG1 4.44Å; D201-I208 HydrophobicContact CB-CG2 3.77Å; D205-I208 HydrophobicContact CB-CG2 3.9Å; D205-I208 PolarHBondContact OD2-N 2.74Å; I208-I211 HydrophobicContact CD1-CB 4.24Å; I208-I211 HydrophobicContact CD1-CD1 4.28Å; I208-I211 HydrophobicContact CD1-CG2 4.05Å; I208-I211 WeakPolarHBondContact O-CB 3.24Å; I208-I211 PolarHBondContact O-N 3.43Å; I208-L212 HydrophobicContact CD1-CG 4.47Å; I208-L212 HydrophobicContact CG1-CD1 4.19Å; I208-L212 WeakPolarHBondContact O-CB 3.34Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.1Å; I208-I217 HydrophobicContact CD1-CD1 3.95Å; I208-W406 HydrophobicContact CB-CZ2 4.32Å; I208-W406 HydrophobicContact CD1-CH2 3.72Å; I208-W406 HydrophobicContact CD1-CZ2 4.3Å; I208-W406 HydrophobicContact CG1-CH2 3.99Å; I208-W406 HydrophobicContact CG1-CZ2 4.18Å; I208-M413 HydrophobicContact CD1-CE 4Å
209T98.6Very high98.4Very high18 Ų1843 Ų4311%0.1121%0.212CC..Hα-helixtrans-61-51.9174.3-55.20000110.3Y202 Q203 D205 A207 I211 L212 E213Y202-T209 HydrophobicContact CD2-CG2 4.26Å; Y202-T209 HydrophobicContact CE2-CG2 4.04Å; Q203-T209 WeakPolarHBondContact CA-OG1 3.03Å; Q203-T209 PolarHBondContact N-OG1 2.82Å; D205-T209 WeakPolarHBondContact O-CB 3.29Å; D205-T209 PolarHBondContact O-N 3.04Å; D205-T209 VanDerWaalsContact O-N 3.15Å; D205-T209 PolarHBondContact O-OG1 3.16Å; A207-T209 VanDerWaalsContact C-N 3.29Å; A207-T209 PolarHBondContact O-N 3.18Å; T209-I211 VanDerWaalsContact C-N 3.29Å; T209-I211 PolarHBondContact O-N 3.33Å; T209-L212 PolarHBondContact O-N 3.25Å; T209-L212 VanDerWaalsContact O-N 3.16Å; T209-E213 WeakPolarHBondContact O-CG 3.34Å; T209-E213 PolarHBondContact O-N 2.84Å
210S98.4Very high98.4Very high32 Ų3242.8 Ų42.822%0.22421%0.211CC..Hα-helixtrans-65-30.8177.7-176.60000113.5P206 A207 R417P206-S210 VanDerWaalsContact O-CB 3.28Å; P206-S210 WeakPolarHBondContact O-CB 3.45Å; P206-S210 PolarHBondContact O-N 2.87Å; A207-S210 PolarHBondContact O-N 3.34Å; S210-R417 WeakPolarHBondContact OG-CD 3.33Å
211I98.7Very high98.4Very high0 Ų040.8 Ų40.80%020%0.196CC..Hα-helixtrans-61.6-52.6171.1-76.3160.7000110.2I174 A207 I208 T209 E213 K214 M215 I217 M413 E414 R417I174-I211 HydrophobicContact CD1-CG2 4.47Å; A207-I211 WeakPolarHBondContact O-CB 3.28Å; A207-I211 WeakPolarHBondContact O-CD1 3.4Å; A207-I211 VanDerWaalsContact O-CG1 3.27Å; A207-I211 WeakPolarHBondContact O-CG1 3.5Å; A207-I211 PolarHBondContact O-N 3.11Å; I208-I211 HydrophobicContact CD1-CB 4.24Å; I208-I211 HydrophobicContact CD1-CD1 4.28Å; I208-I211 HydrophobicContact CD1-CG2 4.05Å; I208-I211 WeakPolarHBondContact O-CB 3.24Å; I208-I211 PolarHBondContact O-N 3.43Å; T209-I211 VanDerWaalsContact C-N 3.29Å; T209-I211 PolarHBondContact O-N 3.33Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.97Å; I211-K214 PolarHBondContact O-N 3.36Å; I211-K214 VanDerWaalsContact O-N 3.15Å; I211-M215 HydrophobicContact CB-CE 4.36Å; I211-M215 HydrophobicContact CG1-CE 4.37Å; I211-M215 HydrophobicContact CG2-CE 3.81Å; I211-M215 PolarHBondContact O-N 3.06Å; I211-I217 HydrophobicContact CG2-CD1 4.09Å; I211-M413 HydrophobicContact CD1-CB 3.59Å; I211-M413 HydrophobicContact CD1-CE 4.48Å; I211-M413 HydrophobicContact CG1-CB 4.26Å; I211-M413 HydrophobicContact CG2-CB 4.4Å; I211-E414 HydrophobicContact CD1-CG 3.89Å; I211-R417 HydrophobicContact CG1-CB 4.41Å
212L98.6Very high98.4Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-71.4-22.1-176.6-75.1171.5000114L143 F163 T165 I198 Y202 I208 T209 K214 I217L143-L212 HydrophobicContact CD1-CD1 4.21Å; F163-L212 HydrophobicContact CB-CD2 3.74Å; T165-L212 HydrophobicContact CG2-CB 4.22Å; T165-L212 PolarHBondContact OG1-O 3.39Å; I198-L212 HydrophobicContact CG2-CD1 3.83Å; Y202-L212 HydrophobicContact CD2-CB 4.1Å; Y202-L212 HydrophobicContact CD2-CD1 3.53Å; Y202-L212 HydrophobicContact CD2-CG 4.47Å; Y202-L212 HydrophobicContact CE2-CB 4.05Å; Y202-L212 HydrophobicContact CE2-CD1 4.25Å; Y202-L212 HydrophobicContact CG-CD1 4.04Å; I208-L212 HydrophobicContact CD1-CG 4.47Å; I208-L212 HydrophobicContact CG1-CD1 4.19Å; I208-L212 WeakPolarHBondContact O-CB 3.34Å; I208-L212 WeakPolarHBondContact O-CG 3.37Å; I208-L212 PolarHBondContact O-N 3.1Å; T209-L212 PolarHBondContact O-N 3.25Å; T209-L212 VanDerWaalsContact O-N 3.16Å; L212-K214 VanDerWaalsContact C-N 3.32Å; L212-I217 HydrophobicContact CD2-CD1 3.93Å; L212-I217 HydrophobicContact CD2-CG1 4.09Å; L212-I217 HydrophobicContact CG-CD1 4.5Å
213E97.3Very high98.5Very high110 Ų11037.4 Ų37.451%0.51418%0.183SC..Hα-helixtrans-67.3-33.3170.4-76.1170176.700112.1R171 T209 I211R171-E213 PolarHBondContact NH1-O 3.38Å; T209-E213 WeakPolarHBondContact O-CG 3.34Å; T209-E213 PolarHBondContact O-N 2.84Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.97Å
214K97.9Very high98.5Very high103 Ų10330.3 Ų30.345%0.44815%0.15SC..Hα-helixtrans-100.1-26.7-176.3-74.4-178.7172.9-179.10114I211 L212 R417I211-K214 PolarHBondContact O-N 3.36Å; I211-K214 VanDerWaalsContact O-N 3.15Å; L212-K214 VanDerWaalsContact C-N 3.32Å; K214-R417 HydrophobicContact CB-CG 4.28Å; K214-R417 HydrophobicContact CD-CG 3.57Å; K214-R417 HydrophobicContact CG-CG 4.49Å
215M98.5Very high98.6Very high0 Ų020.5 Ų20.50%011%0.112CC..  trans-139.3153.7-168.3-59.1-178.5-63.300112.5P172 I174 I211 V416 R417 L420P172-M215 HydrophobicContact CB-CG 4.34Å; P172-M215 CarbonylContact O-C 3.59Å; P172-M215 WeakPolarHBondContact O-CA 3.22Å; P172-M215 WeakPolarHBondContact O-CB 3.38Å; I174-M215 HydrophobicContact CD1-CE 3.58Å; I174-M215 HydrophobicContact CD1-SD 4.09Å; I174-M215 HydrophobicContact CG1-CE 4.45Å; I174-M215 HydrophobicContact CG1-SD 4.33Å; I211-M215 HydrophobicContact CB-CE 4.36Å; I211-M215 HydrophobicContact CG1-CE 4.37Å; I211-M215 HydrophobicContact CG2-CE 3.81Å; I211-M215 PolarHBondContact O-N 3.06Å; M215-V416 HydrophobicContact SD-CB 4.39Å; M215-V416 HydrophobicContact SD-CG1 3.76Å; M215-R417 HydrophobicContact CE-CB 3.51Å; M215-R417 HydrophobicContact CE-CG 4.18Å; M215-R417 HydrophobicContact SD-CB 4.4Å; M215-L420 HydrophobicContact CG-CD2 4.24Å; M215-L420 HydrophobicContact SD-CD2 3.79Å
216D98.8Very high98.6Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-89.9143.8167.7-71-3.9000109.8K162 F163 S164 P172 A173 I174 F218K162-D216 WeakPolarHBondContact CE-OD2 3.11Å; K162-D216 IonicContact NZ-OD2 3.14Å; K162-D216 PolarHBondContact NZ-OD2 2.84Å; F163-D216 WeakPolarHBondContact O-CA 3.45Å; S164-D216 WeakPolarHBondContact CB-OD1 3.37Å; S164-D216 VanDerWaalsContact OG-CG 3.3Å; S164-D216 PolarHBondContact OG-OD1 3.39Å; P172-D216 PolarHBondContact O-N 3.19Å; A173-D216 CarbonylContact C-O 3.48Å; A173-D216 VanDerWaalsContact CA-O 3.25Å; A173-D216 WeakPolarHBondContact CA-O 3.37Å; A173-D216 HydrophobicContact CB-CB 4.26Å; I174-D216 PolarHBondContact N-O 2.82Å; D216-F218 HydrophobicContact CB-CD2 4.36Å; D216-F218 HydrophobicContact CB-CE2 3.75Å; D216-F218 HydrophobicContact CB-CZ 4.44Å
217I98.9Very high98.6Very high2 Ų213.8 Ų13.81%0.017%0.071CC..EExtended strand (participates in β ladder)trans-110.3130.7168.8-57.5173.6000108.3K162 F163 I174 I198 I208 I211 L212 M413K162-I217 WeakPolarHBondContact CA-O 3.24Å; F163-I217 HydrophobicContact CB-CB 4.25Å; F163-I217 HydrophobicContact CD2-CB 4.07Å; F163-I217 HydrophobicContact CD2-CG2 4.14Å; F163-I217 PolarHBondContact N-O 2.65Å; F163-I217 PolarHBondContact O-N 3.37Å; I174-I217 HydrophobicContact CD1-CG1 4.46Å; I198-I217 HydrophobicContact CD1-CD1 4.31Å; I198-I217 HydrophobicContact CD1-CG2 4.33Å; I208-I217 HydrophobicContact CD1-CD1 3.95Å; I211-I217 HydrophobicContact CG2-CD1 4.09Å; L212-I217 HydrophobicContact CD2-CD1 3.93Å; L212-I217 HydrophobicContact CD2-CG1 4.09Å; L212-I217 HydrophobicContact CG-CD1 4.5Å; I217-M413 HydrophobicContact CD1-SD 3.72Å; I217-M413 HydrophobicContact CG1-SD 4.43Å
218F98.9Very high98.7Very high5 Ų513.3 Ų13.32%0.0227%0.066CC..EExtended strand (participates in β ladder)trans-114.7118.5172.5-69.2-90.4000108.9V160 L161 K162 A173 I174 W175 L176 D216 F294 F301V160-F218 HydrophobicContact CG1-CB 3.86Å; V160-F218 HydrophobicContact CG1-CD1 3.9Å; V160-F218 HydrophobicContact CG1-CG 4.39Å; L161-F218 WeakPolarHBondContact O-CA 3.31Å; K162-F218 HydrophobicContact CB-CD1 3.97Å; K162-F218 HydrophobicContact CB-CE1 3.73Å; K162-F218 HydrophobicContact CB-CZ 4.49Å; K162-F218 HydrophobicContact CD-CE1 3.66Å; K162-F218 HydrophobicContact CD-CZ 3.72Å; K162-F218 HydrophobicContact CG-CD1 4.17Å; K162-F218 HydrophobicContact CG-CE1 3.59Å; K162-F218 HydrophobicContact CG-CZ 3.86Å; A173-F218 HydrophobicContact CB-CD2 3.9Å; A173-F218 HydrophobicContact CB-CE2 3.75Å; I174-F218 PolarHBondContact O-N 3.14Å; W175-F218 HydrophobicContact CE3-CB 3.69Å; W175-F218 HydrophobicContact CZ3-CB 3.99Å; L176-F218 PolarHBondContact N-O 2.78Å; D216-F218 HydrophobicContact CB-CD2 4.36Å; D216-F218 HydrophobicContact CB-CE2 3.75Å; D216-F218 HydrophobicContact CB-CZ 4.44Å; F218-F294 AromaticContact CD1-CE1 3.75Å; F218-F294 HydrophobicContact CD1-CE1 3.75Å; F218-F294 AromaticContact CD1-CZ 3.68Å; F218-F294 HydrophobicContact CD1-CZ 3.68Å; F218-F294 AromaticContact CE1-CE1 3.93Å; F218-F294 HydrophobicContact CE1-CE1 3.93Å; F218-F294 AromaticContact CE1-CZ 3.52Å; F218-F294 HydrophobicContact CE1-CZ 3.52Å; F218-F294 HydrophobicContact CG-CE1 4.15Å; F218-F294 HydrophobicContact CZ-CE1 4.47Å; F218-F294 HydrophobicContact CZ-CZ 4.24Å; F218-F301 HydrophobicContact CB-CE1 4.29Å; F218-F301 HydrophobicContact CB-CZ 4.36Å; F218-F301 AromaticContact CD2-CE1 3.67Å; F218-F301 HydrophobicContact CD2-CE1 3.67Å; F218-F301 AromaticContact CD2-CZ 3.6Å; F218-F301 HydrophobicContact CD2-CZ 3.6Å; F218-F301 HydrophobicContact CE2-CE1 4.37Å; F218-F301 HydrophobicContact CE2-CZ 4.04Å; F218-F301 HydrophobicContact CG-CE1 4.26Å; F218-F301 HydrophobicContact CG-CZ 4.05Å
219L98.9Very high98.7Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-116.4120.2-177.8177.551.4000110.8V160 L161 F163 L176 A191 A195 P221V160-L219 CarbonylContact C-O 3.46Å; V160-L219 VanDerWaalsContact CA-O 3.3Å; V160-L219 WeakPolarHBondContact CA-O 3.21Å; L161-L219 PolarHBondContact N-O 2.72Å; L161-L219 PolarHBondContact O-N 2.69Å; F163-L219 HydrophobicContact CE2-CB 3.87Å; F163-L219 HydrophobicContact CE2-CD2 4.22Å; F163-L219 HydrophobicContact CZ-CD2 4.45Å; L176-L219 HydrophobicContact CB-CD1 4.01Å; L176-L219 HydrophobicContact CD2-CD1 3.7Å; L176-L219 HydrophobicContact CG-CD1 3.64Å; L176-L219 CarbonylContact O-C 3.5Å; L176-L219 VanDerWaalsContact O-CA 3.24Å; L176-L219 WeakPolarHBondContact O-CA 3.47Å; L176-L219 WeakPolarHBondContact O-CD1 3.39Å; A191-L219 HydrophobicContact CB-CD1 4.07Å; A191-L219 WeakPolarHBondContact O-CD2 3.13Å; A195-L219 HydrophobicContact CB-CD2 3.73Å; L219-P221 HydrophobicContact CG-CG 4.28Å; L219-P221 WeakPolarHBondContact O-CD 3.41Å
220L98.9Very high98.7Very high1 Ų116.4 Ų16.41%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-106.496.5172.5174.656.7000109.4I149 M158 Y159 V160 W175 L176 N177 A178 V222 A223 V291I149-L220 HydrophobicContact CD1-CD2 4.43Å; M158-L220 HydrophobicContact CE-CD1 4.2Å; M158-L220 HydrophobicContact CE-CD2 3.85Å; Y159-L220 WeakPolarHBondContact O-CD1 3.32Å; V160-L220 HydrophobicContact CG2-CB 4.15Å; V160-L220 HydrophobicContact CG2-CD1 4.21Å; W175-L220 HydrophobicContact CH2-CB 4.29Å; W175-L220 HydrophobicContact CH2-CD2 4.3Å; W175-L220 HydrophobicContact CZ2-CB 3.95Å; W175-L220 HydrophobicContact CZ2-CD2 3.76Å; L176-L220 PolarHBondContact O-N 3.11Å; N177-L220 WeakPolarHBondContact CA-O 3.22Å; N177-L220 HydrophobicContact CB-CB 3.8Å; N177-L220 HydrophobicContact CB-CD2 4.19Å; N177-L220 HydrophobicContact CB-CG 4.23Å; A178-L220 PolarHBondContact N-O 3.13Å; L220-V222 VanDerWaalsContact C-N 3.33Å; L220-V222 PolarHBondContact O-N 3.37Å; L220-A223 HydrophobicContact CD2-CB 3.74Å; L220-A223 HydrophobicContact CG-CB 4.07Å; L220-V291 HydrophobicContact CD2-CG2 3.81Å
221P98.9Very high98.7Very high0 Ų014.9 Ų14.90%07%0.069CC..SBendtrans-68.1-29.3-175.3-23.135.3000114.3I129 M133 Q188 A191 L219I129-P221 HydrophobicContact CG2-CB 4.16Å; M133-P221 HydrophobicContact CE-CG 4.01Å; M133-P221 HydrophobicContact CG-CG 4.4Å; M133-P221 HydrophobicContact SD-CG 3.94Å; Q188-P221 WeakPolarHBondContact CG-O 3.28Å; A191-P221 HydrophobicContact CB-CB 4.05Å; L219-P221 HydrophobicContact CG-CG 4.28Å; L219-P221 WeakPolarHBondContact O-CD 3.41Å
222V98.9Very high98.7Very high1 Ų116.5 Ų16.51%0.0068%0.076CC..  trans-132.592.4-178.9-167.60000109.5L126 I129 Q188 L220 N224 P225 Y228L126-V222 HydrophobicContact CD1-CB 4.06Å; L126-V222 HydrophobicContact CD1-CG1 3.95Å; L126-V222 HydrophobicContact CD1-CG2 3.9Å; I129-V222 HydrophobicContact CD1-CG2 4.01Å; I129-V222 HydrophobicContact CG2-CG2 4.12Å; Q188-V222 HydrophobicContact CG-CG1 4.49Å; Q188-V222 HydrophobicContact CG-CG2 4.08Å; L220-V222 VanDerWaalsContact C-N 3.33Å; L220-V222 PolarHBondContact O-N 3.37Å; V222-N224 VanDerWaalsContact C-N 3.34Å; V222-P225 HydrophobicContact CG1-CB 4.18Å; V222-Y228 HydrophobicContact CG1-CD1 4.18Å; V222-Y228 HydrophobicContact CG1-CG 4.08Å
223A98.9Very high98.6Very high5 Ų519.8 Ų19.84%0.04110%0.097CC..SBendtrans-77.2-17.9-179.300000114M158 N177 A178 I180 L220M158-A223 WeakPolarHBondContact CE-O 3.37Å; N177-A223 HydrophobicContact CB-CB 4.47Å; A178-A223 WeakPolarHBondContact O-CB 3.22Å; A178-A223 PolarHBondContact O-N 3.26Å; I180-A223 HydrophobicContact CB-CB 3.98Å; I180-A223 HydrophobicContact CG1-CB 4.24Å; L220-A223 HydrophobicContact CD2-CB 3.74Å; L220-A223 HydrophobicContact CG-CB 4.07Å
224N98.9Very high98.6Very high0 Ų017.5 Ų17.50%09%0.086CC..  trans-128.877.2174177.77.5000110.4G179 I180 V222 D226 G227 Y228 R239 K240G179-N224 WeakPolarHBondContact O-CB 3.41Å; G179-N224 PolarHBondContact O-N 2.8Å; G179-N224 VanDerWaalsContact O-N 3.09Å; I180-N224 WeakPolarHBondContact O-CB 3.47Å; I180-N224 PolarHBondContact O-ND2 3.4Å; V222-N224 VanDerWaalsContact C-N 3.34Å; N224-D226 VanDerWaalsContact C-N 3.33Å; N224-D226 PolarHBondContact O-N 3.19Å; N224-G227 PolarHBondContact OD1-N 3.25Å; N224-Y228 WeakPolarHBondContact O-CB 3.4Å; N224-Y228 PolarHBondContact O-N 3.39Å; N224-R239 PolarHBondContact ND2-O 2.81Å; N224-K240 VanDerWaalsContact ND2-C 3.35Å; N224-K240 PolarHBondContact ND2-O 2.85Å
225P98.9Very high98.6Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-68.7-29.7-172.628.3-36.3000113.2L126 R156 M158 V222 Y228 V229L126-P225 HydrophobicContact CD1-CB 4.14Å; L126-P225 HydrophobicContact CD2-CB 3.82Å; R156-P225 HydrophobicContact CB-CB 4.43Å; R156-P225 HydrophobicContact CB-CG 4.38Å; M158-P225 WeakPolarHBondContact SD-CD 3.47Å; M158-P225 HydrophobicContact SD-CG 3.7Å; V222-P225 HydrophobicContact CG1-CB 4.18Å; P225-Y228 PolarHBondContact O-N 2.85Å; P225-V229 WeakPolarHBondContact O-CG2 3.41Å; P225-V229 PolarHBondContact O-N 2.84Å; P225-V229 VanDerWaalsContact O-N 3.07Å
226D98.9Very high98.6Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-71.9-47.8179.2-61.5-11.9000111S152 F153 E154 R156 N224 Y228 V229 Y230 R242S152-D226 VanDerWaalsContact CB-CG 3.46Å; S152-D226 VanDerWaalsContact CB-OD1 3.25Å; S152-D226 WeakPolarHBondContact CB-OD1 3.38Å; S152-D226 VanDerWaalsContact CB-OD2 3.25Å; S152-D226 WeakPolarHBondContact CB-OD2 3.04Å; S152-D226 PolarHBondContact OG-OD1 3.19Å; S152-D226 PolarHBondContact OG-OD2 3.5Å; S152-D226 VanDerWaalsContact OG-OD2 3.11Å; F153-D226 PolarHBondContact N-OD2 3.25Å; F153-D226 VanDerWaalsContact N-OD2 3.14Å; E154-D226 WeakPolarHBondContact CB-OD2 3.47Å; E154-D226 HydrophobicContact CG-CB 4.32Å; E154-D226 PolarHBondContact N-OD2 3.41Å; R156-D226 IonicContact CZ-OD1 2.78Å; R156-D226 IonicContact NH1-OD1 2.82Å; R156-D226 PolarHBondContact NH1-OD1 3.05Å; N224-D226 VanDerWaalsContact C-N 3.33Å; N224-D226 PolarHBondContact O-N 3.19Å; D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 2.64Å; D226-V229 PolarHBondContact O-N 2.94Å; D226-Y230 WeakPolarHBondContact O-CB 3.35Å; D226-Y230 PolarHBondContact O-N 3.03Å; D226-R242 HydrophobicContact CB-CB 3.82Å; D226-R242 HydrophobicContact CB-CG 3.69Å
227G98.9Very high98.6Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-57.9-43.4172.100000111.1S182 N224 V229 Y230 T231S182-G227 VanDerWaalsContact CB-O 3.31Å; S182-G227 WeakPolarHBondContact CB-O 3.45Å; N224-G227 PolarHBondContact OD1-N 3.25Å; G227-V229 PolarHBondContact O-N 2.69Å; G227-Y230 CarbonylContact O-C 3.57Å; G227-Y230 WeakPolarHBondContact O-CA 3.39Å; G227-Y230 WeakPolarHBondContact O-CB 3.17Å; G227-Y230 PolarHBondContact O-N 2.7Å; G227-Y230 VanDerWaalsContact O-N 3.1Å; G227-T231 WeakPolarHBondContact O-CG2 3.26Å; G227-T231 PolarHBondContact O-N 3Å
228Y98.9Very high98.6Very high2 Ų215.5 Ų15.51%0.0088%0.078CC..Hα-helixtrans-61.5-46.3-178.6-171.2-115.9000112H124 L126 I129 S182 W185 Q188 V222 N224 P225 D226 Y230 T231 Q232H124-Y228 WeakPolarHBondContact O-CE1 3.46Å; H124-Y228 PolarHBondContact O-OH 3.02Å; L126-Y228 HydrophobicContact CB-CD1 4.13Å; L126-Y228 HydrophobicContact CD1-CD1 4.29Å; I129-Y228 HydrophobicContact CD1-CE1 3.74Å; S182-Y228 VanDerWaalsContact CB-N 3.27Å; W185-Y228 AromaticContact CD1-CD2 3.99Å; W185-Y228 AromaticContact CD1-CE2 3.58Å; W185-Y228 HydrophobicContact CD2-CE2 4.47Å; W185-Y228 HydrophobicContact CG-CE2 4.09Å; W185-Y228 AromaticContact NE1-CD2 3.89Å; W185-Y228 AromaticContact NE1-CE2 3.65Å; Q188-Y228 HydrophobicContact CB-CE2 4.38Å; Q188-Y228 HydrophobicContact CG-CD2 4.17Å; Q188-Y228 HydrophobicContact CG-CE2 3.95Å; V222-Y228 HydrophobicContact CG1-CD1 4.18Å; V222-Y228 HydrophobicContact CG1-CG 4.08Å; N224-Y228 WeakPolarHBondContact O-CB 3.4Å; N224-Y228 PolarHBondContact O-N 3.39Å; P225-Y228 PolarHBondContact O-N 2.85Å; D226-Y228 VanDerWaalsContact C-N 3.28Å; D226-Y228 PolarHBondContact O-N 2.64Å; Y228-Y230 VanDerWaalsContact C-N 3.29Å; Y228-Y230 PolarHBondContact O-N 3.2Å; Y228-T231 PolarHBondContact O-N 2.88Å; Y228-T231 PolarHBondContact O-OG1 3.36Å; Y228-Q232 PolarHBondContact O-N 2.87Å; Y228-Q232 PolarHBondContact OH-NE2 3Å
229V98.9Very high98.5Very high30 Ų3016.4 Ų16.418%0.1828%0.081CC..Hα-helixtrans-61.3-40.8173.4171.80000111.2L126 P225 D226 G227 T231 Q232 T233L126-V229 HydrophobicContact CB-CG2 3.84Å; L126-V229 HydrophobicContact CD2-CG2 3.58Å; L126-V229 HydrophobicContact CG-CG2 4.35Å; P225-V229 WeakPolarHBondContact O-CG2 3.41Å; P225-V229 PolarHBondContact O-N 2.84Å; P225-V229 VanDerWaalsContact O-N 3.07Å; D226-V229 PolarHBondContact O-N 2.94Å; G227-V229 PolarHBondContact O-N 2.69Å; V229-T231 VanDerWaalsContact C-N 3.27Å; V229-T231 PolarHBondContact O-N 3.4Å; V229-Q232 PolarHBondContact O-N 2.85Å; V229-Q232 VanDerWaalsContact O-N 3.17Å; V229-T233 HydrophobicContact CG1-CG2 4.3Å; V229-T233 WeakPolarHBondContact O-CG2 3.36Å; V229-T233 PolarHBondContact O-N 3.23Å; V229-T233 VanDerWaalsContact O-N 3.12Å; V229-T233 PolarHBondContact O-OG1 3.19Å
230Y98.8Very high98.5Very high53 Ų5316.6 Ų16.621%0.2088%0.082CC..Hα-helixtrans-61.5-35177.5-165.6-99.7000112.2D226 G227 Y228 Q232 T233 Q234 N235 W238D226-Y230 WeakPolarHBondContact O-CB 3.35Å; D226-Y230 PolarHBondContact O-N 3.03Å; G227-Y230 CarbonylContact O-C 3.57Å; G227-Y230 WeakPolarHBondContact O-CA 3.39Å; G227-Y230 WeakPolarHBondContact O-CB 3.17Å; G227-Y230 PolarHBondContact O-N 2.7Å; G227-Y230 VanDerWaalsContact O-N 3.1Å; Y228-Y230 VanDerWaalsContact C-N 3.29Å; Y228-Y230 PolarHBondContact O-N 3.2Å; Y230-Q232 VanDerWaalsContact C-N 3.32Å; Y230-Q232 PolarHBondContact O-N 2.75Å; Y230-T233 PolarHBondContact O-N 3.33Å; Y230-Q234 HydrophobicContact CD1-CB 4.19Å; Y230-Q234 HydrophobicContact CD2-CB 3.65Å; Y230-Q234 HydrophobicContact CD2-CG 3.68Å; Y230-Q234 HydrophobicContact CE1-CB 3.99Å; Y230-Q234 HydrophobicContact CE2-CB 3.37Å; Y230-Q234 HydrophobicContact CE2-CG 3.52Å; Y230-Q234 HydrophobicContact CG-CB 4.05Å; Y230-Q234 HydrophobicContact CG-CG 4.46Å; Y230-Q234 WeakPolarHBondContact O-CA 3.4Å; Y230-Q234 PolarHBondContact O-N 3.48Å; Y230-N235 HydrophobicContact CD1-CB 4.34Å; Y230-N235 HydrophobicContact CE1-CB 3.81Å; Y230-N235 PolarHBondContact O-N 3.32Å; Y230-W238 HydrophobicContact CD1-CB 3.57Å; Y230-W238 AromaticContact CD1-CD1 3.9Å; Y230-W238 AromaticContact CD1-CD2 3.68Å; Y230-W238 HydrophobicContact CD1-CD2 3.68Å; Y230-W238 HydrophobicContact CD1-CE3 4.13Å; Y230-W238 AromaticContact CD1-CG 3.41Å; Y230-W238 HydrophobicContact CD1-CG 3.41Å; Y230-W238 VanDerWaalsContact CD1-CG 3.41Å; Y230-W238 HydrophobicContact CE1-CB 4.05Å; Y230-W238 AromaticContact CE1-CD2 3.69Å; Y230-W238 HydrophobicContact CE1-CD2 3.69Å; Y230-W238 AromaticContact CE1-CE3 3.64Å; Y230-W238 HydrophobicContact CE1-CE3 3.64Å; Y230-W238 AromaticContact CE1-CG 3.88Å; Y230-W238 HydrophobicContact CE1-CG 3.88Å; Y230-W238 HydrophobicContact CE1-CZ3 4.36Å; Y230-W238 HydrophobicContact CG-CG 4.43Å
231T98.8Very high98.5Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-66.2-31.4175.561.80000114.4W185 G227 Y228 V229 N235 R236 W238W185-T231 PolarHBondContact NE1-OG1 3.36Å; G227-T231 WeakPolarHBondContact O-CG2 3.26Å; G227-T231 PolarHBondContact O-N 3Å; Y228-T231 PolarHBondContact O-N 2.88Å; Y228-T231 PolarHBondContact O-OG1 3.36Å; V229-T231 VanDerWaalsContact C-N 3.27Å; V229-T231 PolarHBondContact O-N 3.4Å; T231-N235 VanDerWaalsContact CA-O 3.25Å; T231-N235 WeakPolarHBondContact CA-O 3.36Å; T231-R236 WeakPolarHBondContact CG2-O 3.47Å; T231-R236 VanDerWaalsContact O-CA 3.25Å; T231-R236 WeakPolarHBondContact O-CA 3.2Å; T231-R236 PolarHBondContact O-N 3.11Å; T231-W238 HydrophobicContact CG2-CB 3.94Å; T231-W238 VanDerWaalsContact CG2-O 3.24Å; T231-W238 WeakPolarHBondContact CG2-O 3.28Å
232Q97.6Very high98.5Very high34 Ų3418.1 Ų18.116%0.1599%0.087CC..Hα-helixtrans-86.2-19.3-179.5-67.3-178.9-11.400113H124 S125 W185 Y228 V229 Y230H124-Q232 PolarHBondContact O-NE2 2.75Å; S125-Q232 VanDerWaalsContact CA-OE1 3.27Å; W185-Q232 HydrophobicContact CH2-CG 3.75Å; W185-Q232 HydrophobicContact CZ2-CB 4.4Å; W185-Q232 HydrophobicContact CZ2-CG 3.36Å; Y228-Q232 PolarHBondContact O-N 2.87Å; Y228-Q232 PolarHBondContact OH-NE2 3Å; V229-Q232 PolarHBondContact O-N 2.85Å; V229-Q232 VanDerWaalsContact O-N 3.17Å; Y230-Q232 VanDerWaalsContact C-N 3.32Å; Y230-Q232 PolarHBondContact O-N 2.75Å
233T97.3Very high98.5Very high70 Ų7018.5 Ų18.543%0.4299%0.09SC..Hα-helixtrans-117.1-25.5-170.256.60000114.1V229 Y230V229-T233 HydrophobicContact CG1-CG2 4.3Å; V229-T233 WeakPolarHBondContact O-CG2 3.36Å; V229-T233 PolarHBondContact O-N 3.23Å; V229-T233 VanDerWaalsContact O-N 3.12Å; V229-T233 PolarHBondContact O-OG1 3.19Å; Y230-T233 PolarHBondContact O-N 3.33Å
234Q97.6Very high98.5Very high62 Ų6224.1 Ų24.129%0.2912%0.119SC..THydrogen-bonded Turntrans-131.6-62.4-170.8-60.3-60.7-30.700112.5R18 E19 Y230R18-Q234 WeakPolarHBondContact CG-O 3.46Å; E19-Q234 WeakPolarHBondContact CB-O 3.45Å; E19-Q234 PolarHBondContact N-O 3.42Å; Y230-Q234 HydrophobicContact CD1-CB 4.19Å; Y230-Q234 HydrophobicContact CD2-CB 3.65Å; Y230-Q234 HydrophobicContact CD2-CG 3.68Å; Y230-Q234 HydrophobicContact CE1-CB 3.99Å; Y230-Q234 HydrophobicContact CE2-CB 3.37Å; Y230-Q234 HydrophobicContact CE2-CG 3.52Å; Y230-Q234 HydrophobicContact CG-CB 4.05Å; Y230-Q234 HydrophobicContact CG-CG 4.46Å; Y230-Q234 WeakPolarHBondContact O-CA 3.4Å; Y230-Q234 PolarHBondContact O-N 3.48Å
235N97.9Very high98.5Very high22 Ų2224.7 Ų24.712%0.11812%0.122CC..  trans-140.6107.7-177.6175.3-14.3000111E19 Y230 T231 L237 W238E19-N235 HydrophobicContact CB-CB 4.23Å; E19-N235 WeakPolarHBondContact OE2-CB 3.45Å; E19-N235 PolarHBondContact OE2-ND2 3.39Å; Y230-N235 HydrophobicContact CD1-CB 4.34Å; Y230-N235 HydrophobicContact CE1-CB 3.81Å; Y230-N235 PolarHBondContact O-N 3.32Å; T231-N235 VanDerWaalsContact CA-O 3.25Å; T231-N235 WeakPolarHBondContact CA-O 3.36Å; N235-L237 PolarHBondContact O-N 3.03Å; N235-L237 VanDerWaalsContact O-N 3.09Å; N235-L237 WeakPolarHBondContact OD1-CA 3.25Å; N235-L237 PolarHBondContact OD1-N 2.85Å; N235-W238 HydrophobicContact CB-CB 4.47Å; N235-W238 VanDerWaalsContact O-CB 3.28Å; N235-W238 WeakPolarHBondContact O-CB 3.33Å; N235-W238 PolarHBondContact O-N 3.44Å; N235-W238 PolarHBondContact OD1-N 2.81Å
236R98.3Very high98.2Very high2 Ų230.8 Ų30.81%0.00816%0.161CC..THydrogen-bonded Turntrans-55.4-29-177.8179.761.3174.575.51.3114.6L98 E101 R183 W185 T231 F391 L392L98-R236 HydrophobicContact CD2-CB 3.65Å; L98-R236 HydrophobicContact CD2-CG 3.42Å; L98-R236 VanDerWaalsContact CD2-CG 3.42Å; E101-R236 IonicContact OE1-CZ 3.68Å; E101-R236 IonicContact OE1-NE 3.45Å; E101-R236 PolarHBondContact OE1-NE 3.02Å; E101-R236 IonicContact OE1-NH2 2.78Å; E101-R236 PolarHBondContact OE1-NH2 2.91Å; E101-R236 WeakPolarHBondContact OE2-CD 3.45Å; E101-R236 IonicContact OE2-CZ 3.87Å; E101-R236 IonicContact OE2-NE 3.68Å; E101-R236 PolarHBondContact OE2-NE 2.61Å; E101-R236 IonicContact OE2-NH2 3.4Å; R183-R236 WeakPolarHBondContact CB-O 3.02Å; R183-R236 PolarHBondContact O-NH1 3.43Å; W185-R236 VanDerWaalsContact CE2-NE 3.3Å; W185-R236 VanDerWaalsContact CH2-CD 3.47Å; W185-R236 VanDerWaalsContact CZ2-NE 3.32Å; T231-R236 WeakPolarHBondContact CG2-O 3.47Å; T231-R236 VanDerWaalsContact O-CA 3.25Å; T231-R236 WeakPolarHBondContact O-CA 3.2Å; T231-R236 PolarHBondContact O-N 3.11Å; R236-F391 PolarHBondContact NH2-O 3.15Å; R236-L392 HydrophobicContact CG-CD2 3.9Å
237L98Very high98.1Very high6 Ų635.3 Ų35.33%0.03121%0.208CC..THydrogen-bonded Turntrans-94.15.8-176.4-56.2-175.5000113.5F21 W54 L67 L94 R183 N235 R239F21-L237 HydrophobicContact CD1-CD1 4.13Å; F21-L237 HydrophobicContact CE1-CD1 3.55Å; F21-L237 HydrophobicContact CE1-CG 4.12Å; F21-L237 HydrophobicContact CZ-CB 4.48Å; F21-L237 HydrophobicContact CZ-CD1 3.91Å; F21-L237 HydrophobicContact CZ-CG 3.95Å; W54-L237 HydrophobicContact CH2-CD2 4.42Å; W54-L237 HydrophobicContact CZ2-CD1 4.08Å; W54-L237 HydrophobicContact CZ2-CD2 3.66Å; L67-L237 HydrophobicContact CD2-CD1 3.21Å; L94-L237 HydrophobicContact CD2-CD1 3.74Å; L94-L237 HydrophobicContact CD2-CD2 4.45Å; L94-L237 HydrophobicContact CD2-CG 4.43Å; R183-L237 WeakPolarHBondContact CD-O 3.33Å; R183-L237 PolarHBondContact NH1-O 3.09Å; N235-L237 PolarHBondContact O-N 3.03Å; N235-L237 VanDerWaalsContact O-N 3.09Å; N235-L237 WeakPolarHBondContact OD1-CA 3.25Å; N235-L237 PolarHBondContact OD1-N 2.85Å; L237-R239 PolarHBondContact O-N 2.95Å
238W98.6Very high97.9Very high32 Ų3237.3 Ų37.312%0.12122%0.222CC..  trans-62.1128.8175.2-172-94.9000111.2S182 R183 Y230 T231 N235 K240 T241 R242 V251S182-W238 PolarHBondContact OG-O 3.47Å; R183-W238 WeakPolarHBondContact CB-O 3.48Å; R183-W238 PolarHBondContact N-O 3.45Å; R183-W238 VanDerWaalsContact N-O 3.11Å; Y230-W238 HydrophobicContact CD1-CB 3.57Å; Y230-W238 AromaticContact CD1-CD1 3.9Å; Y230-W238 AromaticContact CD1-CD2 3.68Å; Y230-W238 HydrophobicContact CD1-CD2 3.68Å; Y230-W238 HydrophobicContact CD1-CE3 4.13Å; Y230-W238 AromaticContact CD1-CG 3.41Å; Y230-W238 HydrophobicContact CD1-CG 3.41Å; Y230-W238 VanDerWaalsContact CD1-CG 3.41Å; Y230-W238 HydrophobicContact CE1-CB 4.05Å; Y230-W238 AromaticContact CE1-CD2 3.69Å; Y230-W238 HydrophobicContact CE1-CD2 3.69Å; Y230-W238 AromaticContact CE1-CE3 3.64Å; Y230-W238 HydrophobicContact CE1-CE3 3.64Å; Y230-W238 AromaticContact CE1-CG 3.88Å; Y230-W238 HydrophobicContact CE1-CG 3.88Å; Y230-W238 HydrophobicContact CE1-CZ3 4.36Å; Y230-W238 HydrophobicContact CG-CG 4.43Å; T231-W238 HydrophobicContact CG2-CB 3.94Å; T231-W238 VanDerWaalsContact CG2-O 3.24Å; T231-W238 WeakPolarHBondContact CG2-O 3.28Å; N235-W238 HydrophobicContact CB-CB 4.47Å; N235-W238 VanDerWaalsContact O-CB 3.28Å; N235-W238 WeakPolarHBondContact O-CB 3.33Å; N235-W238 PolarHBondContact O-N 3.44Å; N235-W238 PolarHBondContact OD1-N 2.81Å; W238-K240 VanDerWaalsContact CD1-O 3.26Å; W238-K240 HydrophobicContact CZ2-CB 4.09Å; W238-K240 PolarHBondContact NE1-O 3.05Å; W238-T241 WeakPolarHBondContact CZ2-O 3.44Å; W238-T241 PolarHBondContact NE1-O 3.28Å; W238-R242 VanDerWaalsContact CH2-NH1 3.28Å; W238-V251 HydrophobicContact CH2-CB 4.08Å; W238-V251 VanDerWaalsContact CH2-O 3.28Å; W238-V251 WeakPolarHBondContact CH2-O 3.4Å; W238-V251 HydrophobicContact CZ2-CB 4.33Å; W238-V251 HydrophobicContact CZ2-CG1 4.29Å; W238-V251 WeakPolarHBondContact CZ2-O 3.34Å
239R98.3Very high97.8Very high25 Ų2542.8 Ų42.89%0.09426%0.261CS..  trans-104-43.1-177.4-179.6-174.2170.783-9113.4H181 S182 E184 N224 L237 D254 E275H181-R239 WeakPolarHBondContact CA-O 3.44Å; H181-R239 HydrophobicContact CB-CG 3.87Å; H181-R239 PolarHBondContact CE1-NH1 3Å; H181-R239 PolarHBondContact CE1-NH2 3.25Å; H181-R239 VanDerWaalsContact CG-NH1 3.33Å; H181-R239 PolarHBondContact ND1-NH1 3.38Å; H181-R239 PolarHBondContact ND1-NH2 3.4Å; H181-R239 VanDerWaalsContact NE2-CZ 3.3Å; H181-R239 PolarHBondContact NE2-NH2 2.97Å; S182-R239 PolarHBondContact N-O 3.09Å; S182-R239 PolarHBondContact OG-O 2.88Å; E184-R239 IonicContact OE1-NH1 2.85Å; E184-R239 PolarHBondContact OE1-NH1 2.53Å; E184-R239 VanDerWaalsContact OE1-NH1 3.14Å; N224-R239 PolarHBondContact ND2-O 2.81Å; L237-R239 PolarHBondContact O-N 2.95Å; R239-D254 IonicContact CZ-OD2 3.19Å; R239-D254 IonicContact NE-OD2 2.82Å; R239-D254 PolarHBondContact NE-OD2 3.21Å; R239-D254 VanDerWaalsContact NE-OD2 3.15Å; R239-D254 IonicContact NH2-OD2 3.99Å; R239-D254 PolarHBondContact NH2-OD2 3.01Å; R239-E275 WeakPolarHBondContact CB-OE2 3.44Å
240K98.8Very high97.7Very high3 Ų343.1 Ų43.11%0.01326%0.264CS..SBendtrans-77176.8-164.9-67.1-165.6-65.4172.50113.6N224 W238 V251 G252 A253 P272 S274N224-K240 VanDerWaalsContact ND2-C 3.35Å; N224-K240 PolarHBondContact ND2-O 2.85Å; W238-K240 VanDerWaalsContact CD1-O 3.26Å; W238-K240 HydrophobicContact CZ2-CB 4.09Å; W238-K240 PolarHBondContact NE1-O 3.05Å; K240-V251 WeakPolarHBondContact CE-O 3.39Å; K240-V251 PolarHBondContact NZ-O 3.17Å; K240-V251 VanDerWaalsContact NZ-O 3.14Å; K240-G252 PolarHBondContact NZ-O 3.28Å; K240-A253 WeakPolarHBondContact CA-O 3.36Å; K240-A253 VanDerWaalsContact CB-O 3.26Å; K240-A253 WeakPolarHBondContact CB-O 3.41Å; K240-P272 PolarHBondContact NZ-O 3.39Å; K240-S274 WeakPolarHBondContact CD-O 3.26Å; K240-S274 WeakPolarHBondContact CE-O 3.45Å; K240-S274 PolarHBondContact NZ-O 3.21Å
241T98.9Very high97.7Very high0 Ų042 Ų420%026%0.262CS..  trans-65.8-178.4164.158.90000110.9W238 S243 G252 A253 P255 E285W238-T241 WeakPolarHBondContact CZ2-O 3.44Å; W238-T241 PolarHBondContact NE1-O 3.28Å; T241-S243 PolarHBondContact OG1-OG 3.21Å; T241-G252 VanDerWaalsContact O-CA 3.25Å; T241-G252 WeakPolarHBondContact O-CA 3.43Å; T241-G252 WeakPolarHBondContact OG1-CA 3.3Å; T241-A253 PolarHBondContact N-O 3.06Å; T241-A253 PolarHBondContact OG1-N 2.99Å; T241-A253 PolarHBondContact OG1-O 2.94Å; T241-P255 HydrophobicContact CG2-CB 3.94Å; T241-P255 HydrophobicContact CG2-CG 4.23Å; T241-E285 WeakPolarHBondContact CB-OE2 3.42Å; T241-E285 HydrophobicContact CG2-CB 4.11Å; T241-E285 HydrophobicContact CG2-CG 4Å; T241-E285 PolarHBondContact OG1-OE2 2.87Å
242R98.8Very high97.7Very high34 Ų3442 Ų4213%0.12826%0.262CS..  trans-112.720.3176-64.9-61.3-59.1168.8-1.7113.7F153 E154 D226 W238F153-R242 VanDerWaalsContact CD1-O 3.32Å; F153-R242 WeakPolarHBondContact CD1-O 3.39Å; E154-R242 HydrophobicContact CG-CB 4.31Å; D226-R242 HydrophobicContact CB-CB 3.82Å; D226-R242 HydrophobicContact CB-CG 3.69Å; W238-R242 VanDerWaalsContact CH2-NH1 3.28Å
243S98.6Very high97.7Very high9 Ų940.3 Ų40.36%0.06326%0.255CS..  trans-62.9142.4178.357.40000112.6T241 V251 G252 E285T241-S243 PolarHBondContact OG1-OG 3.21Å; S243-V251 WeakPolarHBondContact O-CG1 3.38Å; S243-G252 PolarHBondContact O-N 2.85Å; S243-E285 WeakPolarHBondContact CB-OE2 3.49Å; S243-E285 PolarHBondContact OG-OE2 3.5Å
244L98.4Very high97.8Very high123 Ų12337 Ų3764%0.64423%0.234SC*.BIsolated β-bridgetrans-84.3126.1175.6-61.4179.3000109.8F153 P246 V251F153-L244 HydrophobicContact CE1-CB 4.5Å; F153-L244 HydrophobicContact CE1-CD1 4.46Å; F153-L244 HydrophobicContact CE1-CG 3.87Å; F153-L244 HydrophobicContact CZ-CB 3.99Å; F153-L244 HydrophobicContact CZ-CD1 4.31Å; F153-L244 HydrophobicContact CZ-CG 3.8Å; L244-P246 WeakPolarHBondContact O-CD 3.46Å; L244-V251 HydrophobicContact CD2-CG2 4.37Å
245N98Very high97.8Very high11 Ų1134.1 Ų34.16%0.05922%0.221CC..  trans-92.3111-179.4-64.7-48.7000110.2G247 S248 C250 G252 P272 Y277N245-G247 PolarHBondContact O-N 2.55Å; N245-S248 PolarHBondContact O-N 3.27Å; N245-S248 VanDerWaalsContact O-N 3.1Å; N245-S248 VanDerWaalsContact O-O 3.09Å; N245-C250 WeakPolarHBondContact CB-O 3.37Å; N245-C250 PolarHBondContact ND2-O 3.42Å; N245-G252 PolarHBondContact ND2-N 3.1Å; N245-G252 PolarHBondContact ND2-O 3.29Å; N245-P272 HydrophobicContact CB-CB 4.12Å; N245-Y277 WeakPolarHBondContact OD1-CE1 3.45Å
246P94.7Very high97.9Very high128 Ų12833.7 Ų33.783%0.83122%0.219SC*.THydrogen-bonded Turntrans-58.2131.6-178.7-2434.8000111.9L244 S248L244-P246 WeakPolarHBondContact O-CD 3.46Å; P246-S248 VanDerWaalsContact C-N 3.3Å; P246-S248 PolarHBondContact O-N 2.63Å
247G94.8Very high97.9Very high96 Ų9633.9 Ų33.999%0.9922%0.219SC*.THydrogen-bonded Turntrans78.57.5-179.200000115.1N245N245-G247 PolarHBondContact O-N 2.55Å
248S96.4Very high97.9Very high41 Ų4133.6 Ų33.629%0.28722%0.218SC..  trans-132.5147.9176.41690000110.9N245 P246 C250N245-S248 PolarHBondContact O-N 3.27Å; N245-S248 VanDerWaalsContact O-N 3.1Å; N245-S248 VanDerWaalsContact O-O 3.09Å; P246-S248 VanDerWaalsContact C-N 3.3Å; P246-S248 PolarHBondContact O-N 2.63Å; S248-C250 WeakPolarHBondContact OG-CB 3.49Å; S248-C250 PolarHBondContact OG-N 3.31Å
249S95.8Very high98Very high118 Ų11832.1 Ų32.183%0.82521%0.212SC*.SBendtrans-83.1-16169.654.90000113.1
250C96.8Very high98Very high36 Ų3635.7 Ų35.724%0.24323%0.233CC..  trans-77.8141.4178.2-66.60000111.7N245 S248 P272 C273N245-C250 WeakPolarHBondContact CB-O 3.37Å; N245-C250 PolarHBondContact ND2-O 3.42Å; S248-C250 WeakPolarHBondContact OG-CB 3.49Å; S248-C250 PolarHBondContact OG-N 3.31Å; C250-P272 HydrophobicContact CB-CB 4.46Å; C250-C273 HydrophobicContact CB-CB 3.81Å; C250-C273 WeakPolarHBondContact CB-SG 3.48Å; C250-C273 WeakPolarHBondContact SG-CA 3.38Å; C250-C273 WeakPolarHBondContact SG-CB 3.38Å; C250-C273 CovalentContact SG-SG 2.03Å; C250-C273 PolarHBondContact SG-SG 3.14Å
251V98.4Very high98Very high29 Ų2935.6 Ų35.618%0.17623%0.233CC..BIsolated β-bridgetrans-108.9145.9-171.2178.80000110.7W238 K240 S243 L244W238-V251 HydrophobicContact CH2-CB 4.08Å; W238-V251 VanDerWaalsContact CH2-O 3.28Å; W238-V251 WeakPolarHBondContact CH2-O 3.4Å; W238-V251 HydrophobicContact CZ2-CB 4.33Å; W238-V251 HydrophobicContact CZ2-CG1 4.29Å; W238-V251 WeakPolarHBondContact CZ2-O 3.34Å; K240-V251 WeakPolarHBondContact CE-O 3.39Å; K240-V251 PolarHBondContact NZ-O 3.17Å; K240-V251 VanDerWaalsContact NZ-O 3.14Å; S243-V251 WeakPolarHBondContact O-CG1 3.38Å; L244-V251 HydrophobicContact CD2-CG2 4.37Å
252G98.7Very high97.9Very high0 Ų038.7 Ų38.70%026%0.255CS..  trans79.6156.7170.600000114.8K240 T241 S243 N245 Y277K240-G252 PolarHBondContact NZ-O 3.28Å; T241-G252 VanDerWaalsContact O-CA 3.25Å; T241-G252 WeakPolarHBondContact O-CA 3.43Å; T241-G252 WeakPolarHBondContact OG1-CA 3.3Å; S243-G252 PolarHBondContact O-N 2.85Å; N245-G252 PolarHBondContact ND2-N 3.1Å; N245-G252 PolarHBondContact ND2-O 3.29Å; G252-Y277 WeakPolarHBondContact O-CD1 3.42Å
253A98.8Very high97.9Very high0 Ų039.4 Ų39.40%026%0.259CS..  trans-115.4159165.300000110.2K240 T241 P255 Y277 E285K240-A253 WeakPolarHBondContact CA-O 3.36Å; K240-A253 VanDerWaalsContact CB-O 3.26Å; K240-A253 WeakPolarHBondContact CB-O 3.41Å; T241-A253 PolarHBondContact N-O 3.06Å; T241-A253 PolarHBondContact OG1-N 2.99Å; T241-A253 PolarHBondContact OG1-O 2.94Å; A253-P255 WeakPolarHBondContact O-CD 3.41Å; A253-Y277 HydrophobicContact CB-CD1 3.78Å; A253-Y277 HydrophobicContact CB-CE1 4.16Å; A253-E285 HydrophobicContact CB-CG 4.03Å
254D98.8Very high97.8Very high0 Ų041.4 Ų41.40%028%0.276CS..  trans-70.7110.8169.8-175.5-35.4000108.1H181 R239 N256 R257 N258 E275 Y277H181-D254 IonicContact CD2-OD1 3.73Å; H181-D254 IonicContact NE2-OD1 3.96Å; H181-D254 PolarHBondContact NE2-OD1 3.44Å; H181-D254 VanDerWaalsContact NE2-OD1 3.1Å; H181-D254 IonicContact NE2-OD2 3.55Å; R239-D254 IonicContact CZ-OD2 3.19Å; R239-D254 IonicContact NE-OD2 2.82Å; R239-D254 PolarHBondContact NE-OD2 3.21Å; R239-D254 VanDerWaalsContact NE-OD2 3.15Å; R239-D254 IonicContact NH2-OD2 3.99Å; R239-D254 PolarHBondContact NH2-OD2 3.01Å; D254-N256 PolarHBondContact O-N 3.05Å; D254-N256 WeakPolarHBondContact OD1-CA 3.42Å; D254-N256 PolarHBondContact OD1-N 3.3Å; D254-R257 HydrophobicContact CB-CB 4.02Å; D254-R257 HydrophobicContact CB-CG 3.81Å; D254-R257 PolarHBondContact O-N 2.92Å; D254-R257 PolarHBondContact OD1-N 2.87Å; D254-N258 PolarHBondContact O-N 3.2Å; D254-E275 WeakPolarHBondContact CB-O 3.5Å; D254-Y277 PolarHBondContact N-O 3.28Å
255P98.8Very high97.7Very high1 Ų136.8 Ų36.81%0.00626%0.258CS..THydrogen-bonded Turntrans-66.5-17.9-17727.2-33.2000112.8I180 T241 A253 W259 V288I180-P255 HydrophobicContact CD1-CB 4.18Å; I180-P255 HydrophobicContact CG1-CB 3.78Å; I180-P255 HydrophobicContact CG1-CG 3.83Å; I180-P255 WeakPolarHBondContact O-CG 3.24Å; T241-P255 HydrophobicContact CG2-CB 3.94Å; T241-P255 HydrophobicContact CG2-CG 4.23Å; A253-P255 WeakPolarHBondContact O-CD 3.41Å; P255-W259 PolarHBondContact O-NE1 2.88Å; P255-V288 HydrophobicContact CB-CG2 4.01Å; P255-V288 WeakPolarHBondContact O-CG2 3.49Å
256N98.8Very high97.4Very high13 Ų1343.9 Ų43.97%0.0729%0.288CS..THydrogen-bonded Turntrans-99.921.3172.9-15313.6000113.1I180 H181 D254 H308 G364 S365 S366I180-N256 HydrophobicContact CD1-CB 4.46Å; H181-N256 WeakPolarHBondContact NE2-CB 3.46Å; D254-N256 PolarHBondContact O-N 3.05Å; D254-N256 WeakPolarHBondContact OD1-CA 3.42Å; D254-N256 PolarHBondContact OD1-N 3.3Å; N256-H308 PolarHBondContact ND2-NE2 2.96Å; N256-G364 CarbonylContact C-O 3.6Å; N256-S365 WeakPolarHBondContact OD1-CA 3.43Å; N256-S366 PolarHBondContact OD1-N 3.47Å; N256-S366 PolarHBondContact OD1-OG 2.99Å
257R98.8Very high97.2Very high6 Ų639.3 Ų39.32%0.02326%0.264CS..THydrogen-bonded Turntrans-120.7-4.1160.7-62.7-60.5-178-84.2-6.8113D254 G267 A268 V276 H278 Y360 S363 G364D254-R257 HydrophobicContact CB-CB 4.02Å; D254-R257 HydrophobicContact CB-CG 3.81Å; D254-R257 PolarHBondContact O-N 2.92Å; D254-R257 PolarHBondContact OD1-N 2.87Å; R257-G267 PolarHBondContact NE-O 2.91Å; R257-A268 HydrophobicContact CB-CB 4.27Å; R257-A268 HydrophobicContact CG-CB 4.22Å; R257-V276 HydrophobicContact CG-CB 4.47Å; R257-H278 HydrophobicContact CB-CB 4.11Å; R257-Y360 PolarHBondContact NH2-OH 3.08Å; R257-S363 WeakPolarHBondContact CD-O 3.47Å; R257-G364 CarbonylContact C-O 3.32Å; R257-G364 WeakPolarHBondContact CA-O 3.27Å; R257-G364 PolarHBondContact N-O 2.79Å
258N98.9Very high97.2Very high0 Ų035.9 Ų35.90%023%0.227CC..  trans-91-9-170.5-167-113.7000114D254 H278 H281 A282 N283 S284 E285 V288 G364D254-N258 PolarHBondContact O-N 3.2Å; N258-H278 PolarHBondContact ND2-O 3.41Å; N258-H281 PolarHBondContact ND2-O 2.91Å; N258-H281 VanDerWaalsContact ND2-O 3.16Å; N258-A282 CarbonylContact O-C 3.52Å; N258-A282 WeakPolarHBondContact O-CA 3.31Å; N258-N283 PolarHBondContact O-N 2.84Å; N258-N283 VanDerWaalsContact OD1-C 3.29Å; N258-N283 WeakPolarHBondContact OD1-CA 3.48Å; N258-N283 PolarHBondContact OD1-N 2.85Å; N258-S284 PolarHBondContact ND2-OG 3.3Å; N258-S284 PolarHBondContact OD1-N 2.81Å; N258-E285 HydrophobicContact CB-CG 4.08Å; N258-E285 PolarHBondContact OD1-N 2.87Å; N258-V288 HydrophobicContact CB-CG2 4.41Å; N258-G364 PolarHBondContact N-O 2.92Å
259W98.9Very high97.2Very high2 Ų235.2 Ų35.21%0.00822%0.222CC..SBendtrans-73.8152-174.5-59.973.4000112.2I180 P255 A261 V288 V291 V292 F304 G364 W369I180-W259 HydrophobicContact CD1-CZ2 4.1Å; P255-W259 PolarHBondContact O-NE1 2.88Å; W259-A261 PolarHBondContact O-N 2.96Å; W259-V288 HydrophobicContact CD2-CG1 3.65Å; W259-V288 HydrophobicContact CE3-CG1 4Å; W259-V288 HydrophobicContact CG-CG1 4.04Å; W259-V288 HydrophobicContact CH2-CG1 4.42Å; W259-V288 HydrophobicContact CZ2-CG1 4.09Å; W259-V288 HydrophobicContact CZ2-CG2 4.49Å; W259-V288 HydrophobicContact CZ3-CG1 4.37Å; W259-V291 HydrophobicContact CH2-CB 4.01Å; W259-V291 HydrophobicContact CH2-CG1 3.72Å; W259-V291 HydrophobicContact CZ3-CG1 4.36Å; W259-V292 HydrophobicContact CE3-CG2 3.74Å; W259-V292 HydrophobicContact CZ3-CG2 3.62Å; W259-F304 HydrophobicContact CH2-CE2 4.35Å; W259-F304 HydrophobicContact CH2-CZ 4.13Å; W259-G364 WeakPolarHBondContact CB-O 3.42Å; W259-G364 VanDerWaalsContact CD1-O 3.25Å; W259-G364 PolarHBondContact N-O 3.4Å; W259-G364 WeakPolarHBondContact O-CA 3.28Å; W259-W369 HydrophobicContact CB-CB 3.87Å; W259-W369 HydrophobicContact CB-CG 4.34Å; W259-W369 HydrophobicContact CD2-CB 4.48Å; W259-W369 HydrophobicContact CE3-CB 4Å; W259-W369 AromaticContact CE3-CD2 3.58Å; W259-W369 HydrophobicContact CE3-CD2 3.58Å; W259-W369 AromaticContact CE3-CE3 3.55Å; W259-W369 HydrophobicContact CE3-CE3 3.55Å; W259-W369 AromaticContact CE3-CG 3.76Å; W259-W369 HydrophobicContact CE3-CG 3.76Å; W259-W369 HydrophobicContact CE3-CZ3 4.31Å; W259-W369 HydrophobicContact CG-CB 4.48Å; W259-W369 AromaticContact CZ3-CD2 3.89Å; W259-W369 HydrophobicContact CZ3-CD2 3.89Å; W259-W369 AromaticContact CZ3-CE3 3.41Å; W259-W369 HydrophobicContact CZ3-CE3 3.41Å; W259-W369 VanDerWaalsContact CZ3-CE3 3.41Å; W259-W369 HydrophobicContact CZ3-CH2 4.47Å; W259-W369 AromaticContact CZ3-CZ3 3.75Å; W259-W369 HydrophobicContact CZ3-CZ3 3.75Å
260N98.8Very high97.3Very high99 Ų9935.6 Ų35.653%0.52922%0.215SC..SBendtrans-75.962.6177-168.722.6000112.9A282 N283N260-A282 HydrophobicContact CB-CB 3.8Å; N260-N283 PolarHBondContact N-OD1 2.97Å
261A98.3Very high97.2Very high2 Ų236.8 Ų36.82%0.01722%0.219CC..SBendtrans-138.994.6176.300000109.7W259 F263 Y320 G364 D368 W369W259-A261 PolarHBondContact O-N 2.96Å; A261-F263 PolarHBondContact O-N 3.14Å; A261-Y320 HydrophobicContact CB-CD1 4.37Å; A261-Y320 HydrophobicContact CB-CE1 4.33Å; A261-G364 VanDerWaalsContact O-CA 3.31Å; A261-G364 WeakPolarHBondContact O-CA 3.14Å; A261-G364 PolarHBondContact O-N 3.42Å; A261-D368 HydrophobicContact CB-CB 3.86Å; A261-W369 HydrophobicContact CB-CB 3.91Å
262S98Very high97.2Very high64 Ų6436.9 Ų36.945%0.44822%0.22SC..SBendtrans51.738.5-171.4-174.90000112.8G265 Y320 S363S262-G265 PolarHBondContact O-N 2.95Å; S262-Y320 VanDerWaalsContact CB-CG 3.48Å; S262-S363 VanDerWaalsContact O-CB 3.23Å; S262-S363 WeakPolarHBondContact O-CB 3.47Å
263F98.4Very high97Very high49 Ų4939.7 Ų39.722%0.21524%0.239CC..THydrogen-bonded Turntrans-47.8146.2-177.8177.8-94.6000113.2A261 G265 H278 G279 H281 A282A261-F263 PolarHBondContact O-N 3.14Å; F263-G265 PolarHBondContact O-N 3.36Å; F263-H278 HydrophobicContact CD2-CB 4.49Å; F263-H278 AromaticContact CE1-ND1 3.99Å; F263-H278 HydrophobicContact CE2-CB 3.83Å; F263-H278 WeakPolarHBondContact CE2-O 3.32Å; F263-H278 HydrophobicContact CZ-CB 3.98Å; F263-H278 AromaticContact CZ-ND1 3.57Å; F263-G279 WeakPolarHBondContact CZ-O 3.27Å; F263-H281 VanDerWaalsContact CZ-CA 3.5Å; F263-A282 HydrophobicContact CB-CB 3.97Å; F263-A282 HydrophobicContact CD1-CB 4.32Å; F263-A282 HydrophobicContact CD2-CB 3.74Å; F263-A282 HydrophobicContact CE2-CB 4.3Å; F263-A282 HydrophobicContact CG-CB 3.74Å
264A97.6Very high96.7Very high51 Ų5141 Ų4142%0.42125%0.248SC..THydrogen-bonded Turntrans55.530.8-175.600000114
265G95.3Very high96.5Very high26 Ų2643.9 Ų43.927%0.26826%0.262SS..  trans-91.1-155.9175.800000113.2S262 F263 S363S262-G265 PolarHBondContact O-N 2.95Å; F263-G265 PolarHBondContact O-N 3.36Å; G265-S363 VanDerWaalsContact C-OG 3.27Å; G265-S363 WeakPolarHBondContact CA-OG 3.26Å; G265-S363 PolarHBondContact N-OG 3.15Å; G265-S363 VanDerWaalsContact N-OG 3.08Å; G265-S363 PolarHBondContact O-OG 2.81Å
266K92.4Very high96.4Very high160 Ų16045.6 Ų45.670%0.69627%0.272SS*.THydrogen-bonded Turntrans-65.6143.6179.6-65.6-175179.6-177.30111.5A268 P361 A362 S363K266-A268 VanDerWaalsContact C-N 3.28Å; K266-P361 HydrophobicContact CB-CB 4.28Å; K266-A362 CarbonylContact O-C 3.36Å; K266-A362 WeakPolarHBondContact O-CA 3.5Å; K266-S363 WeakPolarHBondContact O-CB 3.48Å; K266-S363 PolarHBondContact O-N 2.91Å; K266-S363 PolarHBondContact O-OG 2.79Å
267G90.4Very high96.3Very high32 Ų3246 Ų4633%0.3327%0.273SS..THydrogen-bonded Turntrans7910.6177.600000114.6R257 P361R257-G267 PolarHBondContact NE-O 2.91Å; G267-P361 VanDerWaalsContact CA-O 3.27Å; G267-P361 WeakPolarHBondContact CA-O 3.27Å
268A95Very high96.3Very high24 Ų2446.8 Ų46.820%0.19828%0.277CS..  trans-119.8167.2167.100000110.4R257 K266 V276 H278R257-A268 HydrophobicContact CB-CB 4.27Å; R257-A268 HydrophobicContact CG-CB 4.22Å; K266-A268 VanDerWaalsContact C-N 3.28Å; A268-V276 WeakPolarHBondContact CA-O 3.27Å; A268-H278 HydrophobicContact CB-CB 4Å
269S95.6Very high96.3Very high27 Ų2746.8 Ų46.819%0.18928%0.277CS..BIsolated β-bridgetrans-126.3148.3177.9171.50000110.4N271 S274 V276 Y277 H278S269-N271 WeakPolarHBondContact OG-CB 3.22Å; S269-N271 PolarHBondContact OG-N 3.44Å; S269-N271 VanDerWaalsContact OG-N 3.13Å; S269-S274 VanDerWaalsContact CB-CB 3.49Å; S269-S274 VanDerWaalsContact CB-OG 3.31Å; S269-S274 WeakPolarHBondContact CB-OG 3.43Å; S269-S274 VanDerWaalsContact OG-CB 3.24Å; S269-S274 WeakPolarHBondContact OG-CB 3.21Å; S269-V276 PolarHBondContact N-O 3.28Å; S269-Y277 CarbonylContact O-C 3.52Å; S269-Y277 VanDerWaalsContact O-CA 3.25Å; S269-Y277 WeakPolarHBondContact O-CA 3.43Å; S269-Y277 WeakPolarHBondContact O-CD2 3.39Å; S269-H278 VanDerWaalsContact C-CD2 3.41Å; S269-H278 PolarHBondContact O-CD2 2.9Å; S269-H278 PolarHBondContact O-N 2.72Å; S269-H278 PolarHBondContact O-NE2 3.27Å
270D97.1Very high96.3Very high126 Ų12650.7 Ų50.767%0.67430%0.302SS*.SBendtrans-92.7-13.5171.563.5-15.5000112.8P272 Y277 H278D270-P272 VanDerWaalsContact O-CD 3.31Å; D270-P272 WeakPolarHBondContact O-CD 3.36Å; D270-Y277 VanDerWaalsContact O-CE2 3.22Å; D270-Y277 WeakPolarHBondContact O-CE2 3.41Å; D270-H278 WeakPolarHBondContact CA-NE2 3.04Å
271N96.2Very high96.3Very high62 Ų6251.2 Ų51.233%0.33230%0.301SS..  trans-69.4118.4172.3177.23000111.6S269 C273 S274 Y277S269-N271 WeakPolarHBondContact OG-CB 3.22Å; S269-N271 PolarHBondContact OG-N 3.44Å; S269-N271 VanDerWaalsContact OG-N 3.13Å; N271-C273 PolarHBondContact O-N 3.27Å; N271-C273 VanDerWaalsContact O-N 3.11Å; N271-C273 WeakPolarHBondContact OD1-CB 3.15Å; N271-C273 PolarHBondContact OD1-N 2.91Å; N271-S274 VanDerWaalsContact O-CB 3.24Å; N271-S274 WeakPolarHBondContact O-CB 3.22Å; N271-S274 PolarHBondContact O-N 2.73Å; N271-Y277 WeakPolarHBondContact O-CB 3.41Å; N271-Y277 WeakPolarHBondContact O-CD2 3.44Å
272P97.2Very high96.3Very high31 Ų3152.2 Ų52.220%0.20131%0.31CS..THydrogen-bonded Turntrans-60.2-21.7179.6-26.436.8000115.7K240 N245 C250 D270 S274 Y277K240-P272 PolarHBondContact NZ-O 3.39Å; N245-P272 HydrophobicContact CB-CB 4.12Å; C250-P272 HydrophobicContact CB-CB 4.46Å; D270-P272 VanDerWaalsContact O-CD 3.31Å; D270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-S274 VanDerWaalsContact C-N 3.33Å; P272-Y277 HydrophobicContact CB-CD1 4.38Å; P272-Y277 HydrophobicContact CB-CE1 4.2Å; P272-Y277 HydrophobicContact CG-CE2 4.25Å
273C94.3Very high96.3Very high59 Ų5950.5 Ų50.540%0.39930%0.295SS..THydrogen-bonded Turntrans-83.3-8.9177-57.80000113.4C250 N271C250-C273 HydrophobicContact CB-CB 3.81Å; C250-C273 WeakPolarHBondContact CB-SG 3.48Å; C250-C273 WeakPolarHBondContact SG-CA 3.38Å; C250-C273 WeakPolarHBondContact SG-CB 3.38Å; C250-C273 CovalentContact SG-SG 2.03Å; C250-C273 PolarHBondContact SG-SG 3.14Å; N271-C273 PolarHBondContact O-N 3.27Å; N271-C273 VanDerWaalsContact O-N 3.11Å; N271-C273 WeakPolarHBondContact OD1-CB 3.15Å; N271-C273 PolarHBondContact OD1-N 2.91Å
274S93.9Very high96.4Very high28 Ų2849.4 Ų49.420%0.19629%0.294CS..SBendtrans-72.6145.1177.5-175.80000111.5K240 S269 N271 P272 V276 Y277K240-S274 WeakPolarHBondContact CD-O 3.26Å; K240-S274 WeakPolarHBondContact CE-O 3.45Å; K240-S274 PolarHBondContact NZ-O 3.21Å; S269-S274 VanDerWaalsContact CB-CB 3.49Å; S269-S274 VanDerWaalsContact CB-OG 3.31Å; S269-S274 WeakPolarHBondContact CB-OG 3.43Å; S269-S274 VanDerWaalsContact OG-CB 3.24Å; S269-S274 WeakPolarHBondContact OG-CB 3.21Å; N271-S274 VanDerWaalsContact O-CB 3.24Å; N271-S274 WeakPolarHBondContact O-CB 3.22Å; N271-S274 PolarHBondContact O-N 2.73Å; P272-S274 VanDerWaalsContact C-N 3.33Å; S274-V276 PolarHBondContact O-N 3.03Å; S274-V276 WeakPolarHBondContact OG-CG2 3.35Å; S274-V276 PolarHBondContact OG-N 2.89Å; S274-Y277 WeakPolarHBondContact O-CB 3.34Å; S274-Y277 PolarHBondContact O-N 3.31Å
275E94.3Very high96.4Very high60 Ų6047.2 Ų47.228%0.2828%0.275SS..THydrogen-bonded Turntrans-67.6-18.2170.2-71-54.6106.400113R239 D254R239-E275 WeakPolarHBondContact CB-OE2 3.44Å; D254-E275 WeakPolarHBondContact CB-O 3.5Å
276V95.6Very high96.6Very high37 Ų3748.8 Ų48.822%0.22428%0.279CS..THydrogen-bonded Turntrans-112.426.7176.2-63.40000111.9R257 A268 S269 S274 H278R257-V276 HydrophobicContact CG-CB 4.47Å; A268-V276 WeakPolarHBondContact CA-O 3.27Å; S269-V276 PolarHBondContact N-O 3.28Å; S274-V276 PolarHBondContact O-N 3.03Å; S274-V276 WeakPolarHBondContact OG-CG2 3.35Å; S274-V276 PolarHBondContact OG-N 2.89Å; V276-H278 PolarHBondContact O-N 3.28Å
277Y98.1Very high96.9Very high20 Ų2041.4 Ų41.48%0.07825%0.247CC..BIsolated β-bridgetrans-60.1122175.9175-129.5000110.7N245 G252 A253 D254 S269 D270 N271 P272 S274 G279N245-Y277 WeakPolarHBondContact OD1-CE1 3.45Å; G252-Y277 WeakPolarHBondContact O-CD1 3.42Å; A253-Y277 HydrophobicContact CB-CD1 3.78Å; A253-Y277 HydrophobicContact CB-CE1 4.16Å; D254-Y277 PolarHBondContact N-O 3.28Å; S269-Y277 CarbonylContact O-C 3.52Å; S269-Y277 VanDerWaalsContact O-CA 3.25Å; S269-Y277 WeakPolarHBondContact O-CA 3.43Å; S269-Y277 WeakPolarHBondContact O-CD2 3.39Å; D270-Y277 VanDerWaalsContact O-CE2 3.22Å; D270-Y277 WeakPolarHBondContact O-CE2 3.41Å; N271-Y277 WeakPolarHBondContact O-CB 3.41Å; N271-Y277 WeakPolarHBondContact O-CD2 3.44Å; P272-Y277 HydrophobicContact CB-CD1 4.38Å; P272-Y277 HydrophobicContact CB-CE1 4.2Å; P272-Y277 HydrophobicContact CG-CE2 4.25Å; S274-Y277 WeakPolarHBondContact O-CB 3.34Å; S274-Y277 PolarHBondContact O-N 3.31Å; Y277-G279 VanDerWaalsContact C-N 3.28Å; Y277-G279 VanDerWaalsContact CE1-CA 3.46Å; Y277-G279 VanDerWaalsContact CZ-CA 3.42Å; Y277-G279 PolarHBondContact O-N 2.96Å
278H98.6Very high97.3Very high24 Ų2440 Ų4011%0.11123%0.232CC..  trans-75.1-13-176.148.464.2000114.4R257 N258 F263 A268 S269 D270 V276R257-H278 HydrophobicContact CB-CB 4.11Å; N258-H278 PolarHBondContact ND2-O 3.41Å; F263-H278 HydrophobicContact CD2-CB 4.49Å; F263-H278 AromaticContact CE1-ND1 3.99Å; F263-H278 HydrophobicContact CE2-CB 3.83Å; F263-H278 WeakPolarHBondContact CE2-O 3.32Å; F263-H278 HydrophobicContact CZ-CB 3.98Å; F263-H278 AromaticContact CZ-ND1 3.57Å; A268-H278 HydrophobicContact CB-CB 4Å; S269-H278 VanDerWaalsContact C-CD2 3.41Å; S269-H278 PolarHBondContact O-CD2 2.9Å; S269-H278 PolarHBondContact O-N 2.72Å; S269-H278 PolarHBondContact O-NE2 3.27Å; D270-H278 WeakPolarHBondContact CA-NE2 3.04Å; V276-H278 PolarHBondContact O-N 3.28Å
279G98.6Very high97.5Very high0 Ų042.8 Ų42.80%024%0.24CC..  trans90.3170.1-171.700000112.5F263 Y277 H281F263-G279 WeakPolarHBondContact CZ-O 3.27Å; Y277-G279 VanDerWaalsContact C-N 3.28Å; Y277-G279 VanDerWaalsContact CE1-CA 3.46Å; Y277-G279 VanDerWaalsContact CZ-CA 3.42Å; Y277-G279 PolarHBondContact O-N 2.96Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.8Å
280P98.3Very high97.7Very high83 Ų8342.2 Ų42.254%0.53924%0.236SC..SBendtrans-69.6-26.1-175.826.6-36.2000114.1S284P280-S284 WeakPolarHBondContact CD-OG 3.24Å
281H98.8Very high97.7Very high111 Ų11136.3 Ų36.351%0.51420%0.204SC..SBendtrans-159.9165.4174.858.779000110.2N258 F263 G279 N283 S284N258-H281 PolarHBondContact ND2-O 2.91Å; N258-H281 VanDerWaalsContact ND2-O 3.16Å; F263-H281 VanDerWaalsContact CZ-CA 3.5Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.8Å; H281-N283 PolarHBondContact O-N 2.84Å; H281-S284 VanDerWaalsContact CE1-CA 3.44Å; H281-S284 WeakPolarHBondContact CE1-CA 3.41Å; H281-S284 VanDerWaalsContact O-CB 3.26Å; H281-S284 WeakPolarHBondContact O-CB 3.13Å; H281-S284 PolarHBondContact O-N 3.43Å; H281-S284 PolarHBondContact O-OG 2.94Å
282A98.8Very high97.9Very high23 Ų2333.5 Ų33.519%0.1919%0.189CC..THydrogen-bonded Turntrans-58.7139.517600000111.3N258 N260 F263 S284N258-A282 CarbonylContact O-C 3.52Å; N258-A282 WeakPolarHBondContact O-CA 3.31Å; N260-A282 HydrophobicContact CB-CB 3.8Å; F263-A282 HydrophobicContact CB-CB 3.97Å; F263-A282 HydrophobicContact CD1-CB 4.32Å; F263-A282 HydrophobicContact CD2-CB 3.74Å; F263-A282 HydrophobicContact CE2-CB 4.3Å; F263-A282 HydrophobicContact CG-CB 3.74Å; A282-S284 PolarHBondContact O-N 2.87Å
283N98.8Very high98Very high27 Ų2735.3 Ų35.314%0.14420%0.197CC..THydrogen-bonded Turntrans55.131.5-176.4-45.7-35.4000113.2N258 N260 H281 E285 K289N258-N283 PolarHBondContact O-N 2.84Å; N258-N283 VanDerWaalsContact OD1-C 3.29Å; N258-N283 WeakPolarHBondContact OD1-CA 3.48Å; N258-N283 PolarHBondContact OD1-N 2.85Å; N260-N283 PolarHBondContact N-OD1 2.97Å; H281-N283 PolarHBondContact O-N 2.84Å; N283-E285 VanDerWaalsContact C-N 3.3Å; N283-K289 HydrophobicContact CB-CD 4Å
284S98.9Very high98.2Very high26 Ų2634.4 Ų34.418%0.18219%0.187CC..  trans-67.3-31.3173.163.20000112.9N258 P280 H281 A282 V286N258-S284 PolarHBondContact ND2-OG 3.3Å; N258-S284 PolarHBondContact OD1-N 2.81Å; P280-S284 WeakPolarHBondContact CD-OG 3.24Å; H281-S284 VanDerWaalsContact CE1-CA 3.44Å; H281-S284 WeakPolarHBondContact CE1-CA 3.41Å; H281-S284 VanDerWaalsContact O-CB 3.26Å; H281-S284 WeakPolarHBondContact O-CB 3.13Å; H281-S284 PolarHBondContact O-N 3.43Å; H281-S284 PolarHBondContact O-OG 2.94Å; A282-S284 PolarHBondContact O-N 2.87Å; S284-V286 PolarHBondContact O-N 2.88Å
285E98.9Very high98.4Very high5 Ų533.5 Ų33.52%0.02318%0.179CC..SBendtrans-76.8122.7179.9-53.5-47.498.900108.9T241 S243 A253 N258 N283 E287 V288 K289T241-E285 WeakPolarHBondContact CB-OE2 3.42Å; T241-E285 HydrophobicContact CG2-CB 4.11Å; T241-E285 HydrophobicContact CG2-CG 4Å; T241-E285 PolarHBondContact OG1-OE2 2.87Å; S243-E285 WeakPolarHBondContact CB-OE2 3.49Å; S243-E285 PolarHBondContact OG-OE2 3.5Å; A253-E285 HydrophobicContact CB-CG 4.03Å; N258-E285 HydrophobicContact CB-CG 4.08Å; N258-E285 PolarHBondContact OD1-N 2.87Å; N283-E285 VanDerWaalsContact C-N 3.3Å; E285-E287 PolarHBondContact O-N 3.4Å; E285-V288 HydrophobicContact CB-CB 4.29Å; E285-V288 HydrophobicContact CB-CG2 4.1Å; E285-V288 PolarHBondContact O-N 2.89Å; E285-K289 PolarHBondContact O-N 3.2Å
286V98.9Very high98.6Very high60 Ų6035.6 Ų35.636%0.36419%0.189SC..Hα-helixtrans-64.3-26.5-174-66.50000112.3H151 S152 F153 S284 S290H151-V286 WeakPolarHBondContact O-CG2 3.25Å; S152-V286 VanDerWaalsContact C-CG2 3.43Å; F153-V286 HydrophobicContact CB-CG2 4.23Å; F153-V286 VanDerWaalsContact N-CG2 3.29Å; S284-V286 PolarHBondContact O-N 2.88Å; V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.44Å; V286-S290 PolarHBondContact O-N 3.09Å; V286-S290 PolarHBondContact O-OG 2.89Å
287E98.9Very high98.8Very high5 Ų542.5 Ų42.52%0.02322%0.216CC..Hα-helixtrans-63.4-49.3171.9-60.479.2-175.600110.9S152 F153 M158 E285 S290 V291S152-E287 VanDerWaalsContact CA-OE1 3.27Å; S152-E287 WeakPolarHBondContact CA-OE1 3.25Å; S152-E287 VanDerWaalsContact CB-OE1 3.23Å; S152-E287 WeakPolarHBondContact CB-OE1 3.28Å; F153-E287 PolarHBondContact N-OE1 2.7Å; M158-E287 HydrophobicContact CE-CB 4.19Å; M158-E287 HydrophobicContact SD-CB 4.38Å; M158-E287 HydrophobicContact SD-CG 4.13Å; E285-E287 PolarHBondContact O-N 3.4Å; E287-S290 PolarHBondContact O-N 3.34Å; E287-V291 PolarHBondContact O-N 2.66Å
288V98.9Very high98.8Very high3 Ų342.6 Ų42.62%0.01822%0.217CC..Hα-helixtrans-65.1-47.5176.4173.40000110.1P255 N258 W259 E285 S290 V291 V292P255-V288 HydrophobicContact CB-CG2 4.01Å; P255-V288 WeakPolarHBondContact O-CG2 3.49Å; N258-V288 HydrophobicContact CB-CG2 4.41Å; W259-V288 HydrophobicContact CD2-CG1 3.65Å; W259-V288 HydrophobicContact CE3-CG1 4Å; W259-V288 HydrophobicContact CG-CG1 4.04Å; W259-V288 HydrophobicContact CH2-CG1 4.42Å; W259-V288 HydrophobicContact CZ2-CG1 4.09Å; W259-V288 HydrophobicContact CZ2-CG2 4.49Å; W259-V288 HydrophobicContact CZ3-CG1 4.37Å; E285-V288 HydrophobicContact CB-CB 4.29Å; E285-V288 HydrophobicContact CB-CG2 4.1Å; E285-V288 PolarHBondContact O-N 2.89Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.84Å; V288-V291 PolarHBondContact O-N 2.95Å; V288-V291 VanDerWaalsContact O-N 3.09Å; V288-V292 HydrophobicContact CG1-CG2 4.23Å; V288-V292 WeakPolarHBondContact O-CG2 3.37Å; V288-V292 PolarHBondContact O-N 3.4Å
289K98.9Very high98.7Very high82 Ų8244.2 Ų44.236%0.35724%0.241SC..Hα-helixtrans-57.5-39.2178.4-172.761.3165.471.90112.2N283 E285 V291 V292 D293N283-K289 HydrophobicContact CB-CD 4Å; E285-K289 PolarHBondContact O-N 3.2Å; K289-V291 VanDerWaalsContact C-N 3.34Å; K289-V291 PolarHBondContact O-N 3.17Å; K289-V292 PolarHBondContact O-N 3.35Å; K289-D293 IonicContact NZ-OD1 3.05Å; K289-D293 PolarHBondContact NZ-OD1 3.07Å; K289-D293 IonicContact NZ-OD2 3.27Å; K289-D293 PolarHBondContact NZ-OD2 3.4Å; K289-D293 WeakPolarHBondContact O-CB 3.39Å; K289-D293 VanDerWaalsContact O-CG 3.25Å; K289-D293 PolarHBondContact O-N 3.42Å
290S98.9Very high98.7Very high14 Ų1446.2 Ų46.210%0.09825%0.252CS..Hα-helixtrans-61.5-41.1177.1-640000112.1V286 E287 V288 F294V286-S290 VanDerWaalsContact O-CB 3.31Å; V286-S290 WeakPolarHBondContact O-CB 3.44Å; V286-S290 PolarHBondContact O-N 3.09Å; V286-S290 PolarHBondContact O-OG 2.89Å; E287-S290 PolarHBondContact O-N 3.34Å; V288-S290 VanDerWaalsContact C-N 3.26Å; V288-S290 PolarHBondContact O-N 2.84Å; S290-F294 VanDerWaalsContact O-CB 3.26Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.37Å
291V98.9Very high98.7Very high3 Ų342.8 Ų42.82%0.01823%0.228CC..Hα-helixtrans-70.6-45.3177.2178.50000111.2I149 W175 L220 W259 E287 V288 K289 D293 F294 I295 F304I149-V291 HydrophobicContact CD1-CG2 4.02Å; W175-V291 HydrophobicContact CH2-CG1 4.14Å; W175-V291 HydrophobicContact CH2-CG2 4.3Å; W175-V291 HydrophobicContact CZ2-CB 4.18Å; W175-V291 HydrophobicContact CZ2-CG1 3.45Å; W175-V291 VanDerWaalsContact CZ2-CG1 3.45Å; W175-V291 HydrophobicContact CZ2-CG2 3.74Å; L220-V291 HydrophobicContact CD2-CG2 3.81Å; W259-V291 HydrophobicContact CH2-CB 4.01Å; W259-V291 HydrophobicContact CH2-CG1 3.72Å; W259-V291 HydrophobicContact CZ3-CG1 4.36Å; E287-V291 PolarHBondContact O-N 2.66Å; V288-V291 PolarHBondContact O-N 2.95Å; V288-V291 VanDerWaalsContact O-N 3.09Å; K289-V291 VanDerWaalsContact C-N 3.34Å; K289-V291 PolarHBondContact O-N 3.17Å; V291-D293 PolarHBondContact O-N 2.88Å; V291-F294 PolarHBondContact O-N 3.41Å; V291-I295 HydrophobicContact CG1-CD1 3.67Å; V291-I295 HydrophobicContact CG1-CG1 4.32Å; V291-I295 WeakPolarHBondContact O-CB 3.37Å; V291-I295 WeakPolarHBondContact O-CG1 3.27Å; V291-I295 PolarHBondContact O-N 3.49Å; V291-F304 HydrophobicContact CG1-CE2 4.39Å
292V98.9Very high98.7Very high3 Ų338.8 Ų38.82%0.01821%0.209CC..Hα-helixtrans-54.6-51.8175.6167.30000110.7W259 V288 K289 F294 I295 Q296 W369W259-V292 HydrophobicContact CE3-CG2 3.74Å; W259-V292 HydrophobicContact CZ3-CG2 3.62Å; V288-V292 HydrophobicContact CG1-CG2 4.23Å; V288-V292 WeakPolarHBondContact O-CG2 3.37Å; V288-V292 PolarHBondContact O-N 3.4Å; K289-V292 PolarHBondContact O-N 3.35Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.47Å; V292-I295 PolarHBondContact O-N 2.98Å; V292-Q296 WeakPolarHBondContact O-CB 3.34Å; V292-Q296 WeakPolarHBondContact O-CG 3.36Å; V292-Q296 PolarHBondContact O-N 3.12Å; V292-W369 HydrophobicContact CB-CH2 4.46Å; V292-W369 HydrophobicContact CB-CZ2 4.1Å; V292-W369 HydrophobicContact CG1-CZ2 3.81Å; V292-W369 HydrophobicContact CG2-CD2 4.45Å; V292-W369 HydrophobicContact CG2-CH2 4.25Å; V292-W369 HydrophobicContact CG2-CZ2 3.86Å
293D98.9Very high98.7Very high69 Ų6937.7 Ų37.737%0.36920%0.2SC..Hα-helixtrans-63-41.3-179.3-74-14.2000111.7K289 V291 K297K289-D293 IonicContact NZ-OD1 3.05Å; K289-D293 PolarHBondContact NZ-OD1 3.07Å; K289-D293 IonicContact NZ-OD2 3.27Å; K289-D293 PolarHBondContact NZ-OD2 3.4Å; K289-D293 WeakPolarHBondContact O-CB 3.39Å; K289-D293 VanDerWaalsContact O-CG 3.25Å; K289-D293 PolarHBondContact O-N 3.42Å; V291-D293 PolarHBondContact O-N 2.88Å; D293-K297 WeakPolarHBondContact O-CB 3.32Å; D293-K297 PolarHBondContact O-N 3.17Å
294F98.9Very high98.7Very high40 Ų4036.4 Ų36.418%0.17519%0.193CC..Hα-helixtrans-62.4-48.8178.2-174.1-95.2000111.9V147 I149 W175 F218 S290 V291 V292 H298 F301V147-F294 HydrophobicContact CG1-CE2 4.32Å; I149-F294 HydrophobicContact CB-CB 4.44Å; I149-F294 HydrophobicContact CB-CD2 4.04Å; I149-F294 HydrophobicContact CB-CG 4.4Å; I149-F294 HydrophobicContact CG2-CB 4.44Å; I149-F294 HydrophobicContact CG2-CD2 3.37Å; I149-F294 HydrophobicContact CG2-CE2 3.64Å; I149-F294 HydrophobicContact CG2-CG 3.89Å; I149-F294 HydrophobicContact CG2-CZ 4.34Å; W175-F294 HydrophobicContact CE3-CD1 4.18Å; W175-F294 HydrophobicContact CE3-CE1 4.29Å; W175-F294 HydrophobicContact CH2-CD1 4.28Å; W175-F294 AromaticContact CZ3-CD1 3.5Å; W175-F294 HydrophobicContact CZ3-CD1 3.5Å; W175-F294 AromaticContact CZ3-CE1 3.7Å; W175-F294 HydrophobicContact CZ3-CE1 3.7Å; W175-F294 HydrophobicContact CZ3-CG 4.45Å; F218-F294 AromaticContact CD1-CE1 3.75Å; F218-F294 HydrophobicContact CD1-CE1 3.75Å; F218-F294 AromaticContact CD1-CZ 3.68Å; F218-F294 HydrophobicContact CD1-CZ 3.68Å; F218-F294 AromaticContact CE1-CE1 3.93Å; F218-F294 HydrophobicContact CE1-CE1 3.93Å; F218-F294 AromaticContact CE1-CZ 3.52Å; F218-F294 HydrophobicContact CE1-CZ 3.52Å; F218-F294 HydrophobicContact CG-CE1 4.15Å; F218-F294 HydrophobicContact CZ-CE1 4.47Å; F218-F294 HydrophobicContact CZ-CZ 4.24Å; S290-F294 VanDerWaalsContact O-CB 3.26Å; S290-F294 WeakPolarHBondContact O-CB 3.42Å; S290-F294 PolarHBondContact O-N 3.37Å; V291-F294 PolarHBondContact O-N 3.41Å; V292-F294 VanDerWaalsContact C-N 3.34Å; V292-F294 PolarHBondContact O-N 3.47Å; F294-H298 WeakPolarHBondContact O-CB 3.36Å; F294-H298 PolarHBondContact O-N 3.38Å; F294-F301 HydrophobicContact CD1-CE2 4.24Å; F294-F301 HydrophobicContact CD1-CZ 4.25Å; F294-F301 HydrophobicContact CE1-CE2 4.18Å; F294-F301 AromaticContact CE1-CZ 3.89Å; F294-F301 HydrophobicContact CE1-CZ 3.89Å
295I98.8Very high98.7Very high8 Ų835.2 Ų35.24%0.04119%0.185CC..Hα-helixtrans-65.5-46.4-178.5-72.7174.7000111W175 V291 V292 H298 G299 F301 F304 W369 I375W175-I295 HydrophobicContact CD2-CD1 4.08Å; W175-I295 HydrophobicContact CD2-CG1 4.39Å; W175-I295 HydrophobicContact CE3-CG1 4.33Å; W175-I295 HydrophobicContact CG-CD1 4.07Å; V291-I295 HydrophobicContact CG1-CD1 3.67Å; V291-I295 HydrophobicContact CG1-CG1 4.32Å; V291-I295 WeakPolarHBondContact O-CB 3.37Å; V291-I295 WeakPolarHBondContact O-CG1 3.27Å; V291-I295 PolarHBondContact O-N 3.49Å; V292-I295 PolarHBondContact O-N 2.98Å; I295-H298 PolarHBondContact O-N 3.39Å; I295-G299 PolarHBondContact O-N 3.47Å; I295-F301 HydrophobicContact CB-CD2 4.1Å; I295-F301 HydrophobicContact CB-CE2 4.28Å; I295-F301 HydrophobicContact CG1-CD2 3.95Å; I295-F301 HydrophobicContact CG1-CE2 3.88Å; I295-F301 HydrophobicContact CG1-CZ 4.39Å; I295-F301 HydrophobicContact CG2-CB 4.49Å; I295-F301 HydrophobicContact CG2-CD2 3.87Å; I295-F301 HydrophobicContact CG2-CG 4.38Å; I295-F304 HydrophobicContact CD1-CD2 3.7Å; I295-F304 HydrophobicContact CD1-CE2 3.56Å; I295-W369 HydrophobicContact CB-CH2 3.95Å; I295-W369 HydrophobicContact CB-CZ3 4.44Å; I295-W369 HydrophobicContact CD1-CH2 4.26Å; I295-W369 HydrophobicContact CD1-CZ3 3.9Å; I295-W369 HydrophobicContact CG2-CH2 3.71Å; I295-W369 HydrophobicContact CG2-CZ3 4.11Å; I295-I375 HydrophobicContact CG2-CD1 3.75Å
296Q98.6Very high98.7Very high104 Ų10435 Ų3549%0.48618%0.184SC..Hα-helixtrans-65.7-41.4179.2-71.2-176.5-18.600111.9V292 H298 G299 W369V292-Q296 WeakPolarHBondContact O-CB 3.34Å; V292-Q296 WeakPolarHBondContact O-CG 3.36Å; V292-Q296 PolarHBondContact O-N 3.12Å; Q296-H298 VanDerWaalsContact C-N 3.33Å; Q296-H298 PolarHBondContact O-N 3.42Å; Q296-G299 PolarHBondContact O-N 2.95Å; Q296-W369 HydrophobicContact CG-CZ2 4.17Å
297K98.4Very high98.8Very high182 Ų18232.1 Ų32.179%0.79117%0.167SC*.Hα-helixtrans-63.5-38.5174.8-178179.8178.4-179.60112D293D293-K297 WeakPolarHBondContact O-CB 3.32Å; D293-K297 PolarHBondContact O-N 3.17Å
298H98.4Very high98.8Very high22 Ų2232 Ų3210%0.10217%0.166CC..Hα-helixtrans-66.7-49.4175.2-173.2-94.3000110.9R170 R171 A173 F294 I295 Q296 N300 F301R170-H298 VanDerWaalsContact CD-O 3.25Å; R170-H298 WeakPolarHBondContact CD-O 3.25Å; R170-H298 PolarHBondContact NH1-O 2.89Å; R171-H298 PolarHBondContact O-CE1 2.87Å; A173-H298 VanDerWaalsContact CB-CE1 3.48Å; A173-H298 WeakPolarHBondContact CB-CE1 3.25Å; F294-H298 WeakPolarHBondContact O-CB 3.36Å; F294-H298 PolarHBondContact O-N 3.38Å; I295-H298 PolarHBondContact O-N 3.39Å; Q296-H298 VanDerWaalsContact C-N 3.33Å; Q296-H298 PolarHBondContact O-N 3.42Å; H298-N300 PolarHBondContact ND1-N 3.37Å; H298-N300 PolarHBondContact O-N 3.29Å; H298-F301 HydrophobicContact CB-CD2 3.91Å; H298-F301 HydrophobicContact CB-CE2 3.48Å; H298-F301 VanDerWaalsContact CB-CE2 3.48Å; H298-F301 AromaticContact CG-CD2 3.93Å; H298-F301 AromaticContact CG-CE2 3.52Å; H298-F301 AromaticContact ND1-CD2 3.53Å; H298-F301 AromaticContact ND1-CE2 3.51Å
299G98Very high98.7Very high59 Ų5932 Ų3261%0.60817%0.166SC*.  trans71.94.5171.600000116I295 Q296I295-G299 PolarHBondContact O-N 3.47Å; Q296-G299 PolarHBondContact O-N 2.95Å
300N98.1Very high98.7Very high42 Ų4228.4 Ų28.423%0.22515%0.15CC..  trans-134.235.2-178-157.717.7000113.5P172 A173 H298 K302P172-N300 WeakPolarHBondContact CA-O 3.2Å; A173-N300 PolarHBondContact N-O 3.16Å; H298-N300 PolarHBondContact ND1-N 3.37Å; H298-N300 PolarHBondContact O-N 3.29Å; N300-K302 WeakPolarHBondContact OD1-CE 3.49Å; N300-K302 PolarHBondContact OD1-NZ 3.43Å
301F98.8Very high98.6Very high11 Ų1128.4 Ų28.45%0.04815%0.15CC..EExtended strand (participates in β ladder)trans-79.5135.6171.9-81.7-82.7000110.6A173 W175 F218 F294 I295 H298 I375A173-F301 HydrophobicContact CB-CD1 3.64Å; A173-F301 HydrophobicContact CB-CE1 3.57Å; A173-F301 HydrophobicContact CB-CG 4.21Å; A173-F301 HydrophobicContact CB-CZ 4.08Å; A173-F301 CarbonylContact O-C 3.1Å; A173-F301 WeakPolarHBondContact O-CA 3.49Å; W175-F301 HydrophobicContact CB-CD1 3.73Å; W175-F301 HydrophobicContact CB-CE1 3.64Å; W175-F301 AromaticContact CE3-CE1 3.99Å; W175-F301 HydrophobicContact CE3-CE1 3.99Å; W175-F301 AromaticContact CE3-CZ 3.85Å; W175-F301 HydrophobicContact CE3-CZ 3.85Å; F218-F301 HydrophobicContact CB-CE1 4.29Å; F218-F301 HydrophobicContact CB-CZ 4.36Å; F218-F301 AromaticContact CD2-CE1 3.67Å; F218-F301 HydrophobicContact CD2-CE1 3.67Å; F218-F301 AromaticContact CD2-CZ 3.6Å; F218-F301 HydrophobicContact CD2-CZ 3.6Å; F218-F301 HydrophobicContact CE2-CE1 4.37Å; F218-F301 HydrophobicContact CE2-CZ 4.04Å; F218-F301 HydrophobicContact CG-CE1 4.26Å; F218-F301 HydrophobicContact CG-CZ 4.05Å; F294-F301 HydrophobicContact CD1-CE2 4.24Å; F294-F301 HydrophobicContact CD1-CZ 4.25Å; F294-F301 HydrophobicContact CE1-CE2 4.18Å; F294-F301 AromaticContact CE1-CZ 3.89Å; F294-F301 HydrophobicContact CE1-CZ 3.89Å; I295-F301 HydrophobicContact CB-CD2 4.1Å; I295-F301 HydrophobicContact CB-CE2 4.28Å; I295-F301 HydrophobicContact CG1-CD2 3.95Å; I295-F301 HydrophobicContact CG1-CE2 3.88Å; I295-F301 HydrophobicContact CG1-CZ 4.39Å; I295-F301 HydrophobicContact CG2-CB 4.49Å; I295-F301 HydrophobicContact CG2-CD2 3.87Å; I295-F301 HydrophobicContact CG2-CG 4.38Å; H298-F301 HydrophobicContact CB-CD2 3.91Å; H298-F301 HydrophobicContact CB-CE2 3.48Å; H298-F301 VanDerWaalsContact CB-CE2 3.48Å; H298-F301 AromaticContact CG-CD2 3.93Å; H298-F301 AromaticContact CG-CE2 3.52Å; H298-F301 AromaticContact ND1-CD2 3.53Å; H298-F301 AromaticContact ND1-CE2 3.51Å; F301-I375 HydrophobicContact CB-CD1 3.69Å; F301-I375 HydrophobicContact CB-CG1 4.1Å
302K98.8Very high98.6Very high26 Ų2629.7 Ų29.711%0.11316%0.156CC..EExtended strand (participates in β ladder)trans-112.6-21.8-179.4-54.7-57.5171.3-1740113.1P172 A173 N300 I375 F377 V416 L420 Y421P172-K302 HydrophobicContact CB-CG 3.83Å; A173-K302 PolarHBondContact O-N 2.93Å; N300-K302 WeakPolarHBondContact OD1-CE 3.49Å; N300-K302 PolarHBondContact OD1-NZ 3.43Å; K302-I375 VanDerWaalsContact C-CG2 3.49Å; K302-F377 WeakPolarHBondContact O-CD2 3.46Å; K302-F377 PolarHBondContact O-N 2.96Å; K302-V416 HydrophobicContact CB-CG1 3.74Å; K302-L420 HydrophobicContact CG-CD2 4.15Å; K302-Y421 HydrophobicContact CD-CE2 4.46Å; K302-Y421 WeakPolarHBondContact CD-O 3.34Å; K302-Y421 WeakPolarHBondContact CE-O 3.34Å; K302-Y421 PolarHBondContact NZ-O 3.18Å; K302-Y421 PolarHBondContact O-OH 2.85Å
303C98.9Very high98.6Very high0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-139.1142179.6-170.10000110.7I174 W175 F377 V416I174-C303 HydrophobicContact CB-CB 4.2Å; I174-C303 HydrophobicContact CG1-CB 3.9Å; I174-C303 HydrophobicContact CG2-CB 3.86Å; W175-C303 PolarHBondContact N-O 3.27Å; C303-F377 CarbonylContact C-O 3.59Å; C303-F377 VanDerWaalsContact CA-O 3.22Å; C303-F377 WeakPolarHBondContact CA-O 3.09Å; C303-F377 HydrophobicContact CB-CB 4.11Å; C303-F377 PolarHBondContact SG-O 3.06Å; C303-V416 HydrophobicContact CB-CG1 4.19Å; C303-V416 HydrophobicContact CB-CG2 3.7Å
304F98.9Very high98.6Very high0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-131.8122.4172.3-172.5-70.5000108.5W175 W259 V291 I295 D306 I367 A370 I375 F377 A378 F379W175-F304 HydrophobicContact CB-CD2 4.06Å; W175-F304 AromaticContact CD1-CD2 3.37Å; W175-F304 AromaticContact CD1-CE2 3.16Å; W175-F304 AromaticContact CD1-CG 3.95Å; W175-F304 AromaticContact CD1-CZ 3.56Å; W175-F304 AromaticContact CG-CD2 3.89Å; W175-F304 HydrophobicContact CG-CD2 3.89Å; W175-F304 AromaticContact CG-CE2 3.97Å; W175-F304 HydrophobicContact CG-CE2 3.97Å; W175-F304 AromaticContact NE1-CE2 3.49Å; W175-F304 AromaticContact NE1-CZ 3.68Å; W175-F304 CarbonylContact O-C 3.51Å; W175-F304 WeakPolarHBondContact O-CA 3.46Å; W259-F304 HydrophobicContact CH2-CE2 4.35Å; W259-F304 HydrophobicContact CH2-CZ 4.13Å; V291-F304 HydrophobicContact CG1-CE2 4.39Å; I295-F304 HydrophobicContact CD1-CD2 3.7Å; I295-F304 HydrophobicContact CD1-CE2 3.56Å; F304-D306 HydrophobicContact CE1-CB 4.13Å; F304-I367 HydrophobicContact CD1-CG2 4.02Å; F304-I367 HydrophobicContact CE1-CG2 4.35Å; F304-A370 HydrophobicContact CB-CB 3.63Å; F304-A370 HydrophobicContact CD1-CB 4.25Å; F304-A370 HydrophobicContact CD2-CB 3.8Å; F304-A370 HydrophobicContact CG-CB 3.64Å; F304-I375 HydrophobicContact CB-CG2 4.07Å; F304-F377 PolarHBondContact N-O 2.88Å; F304-A378 CarbonylContact O-C 3.52Å; F304-A378 VanDerWaalsContact O-CA 3.28Å; F304-A378 WeakPolarHBondContact O-CA 3.35Å; F304-F379 PolarHBondContact O-N 3.46Å
305I98.9Very high98.6Very high2 Ų224.6 Ų24.61%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-124.1125.3179.5-55.3175.2000109.3W175 L176 N177 L307 F379 F381 L409 I412W175-I305 PolarHBondContact O-N 3.4Å; L176-I305 WeakPolarHBondContact CA-O 3.41Å; L176-I305 HydrophobicContact CD1-CB 3.61Å; L176-I305 HydrophobicContact CD1-CG2 3.56Å; N177-I305 PolarHBondContact N-O 3.45Å; I305-L307 HydrophobicContact CG2-CD2 3.99Å; I305-F379 WeakPolarHBondContact CA-O 3.33Å; I305-F381 HydrophobicContact CG2-CD2 3.78Å; I305-F381 HydrophobicContact CG2-CE2 3.95Å; I305-L409 HydrophobicContact CD1-CD2 3.78Å; I305-L409 HydrophobicContact CG2-CD2 3.83Å; I305-I412 HydrophobicContact CD1-CB 4.46Å; I305-I412 HydrophobicContact CD1-CD1 4.37Å; I305-I412 HydrophobicContact CD1-CG2 4.04Å
306D98.9Very high98.6Very high0 Ų024.7 Ų24.70%013%0.13CC..EExtended strand (participates in β ladder)trans-108121.2176.4-155.3-6.4000110.8N177 F304 H308 S366 I367 F379 T380 F381N177-D306 WeakPolarHBondContact ND2-CA 3.43Å; N177-D306 VanDerWaalsContact ND2-CG 3.31Å; N177-D306 PolarHBondContact ND2-OD1 3.46Å; F304-D306 HydrophobicContact CE1-CB 4.13Å; D306-H308 IonicContact OD1-CD2 3.58Å; D306-H308 IonicContact OD1-NE2 3.8Å; D306-H308 IonicContact OD2-CD2 2.67Å; D306-H308 IonicContact OD2-NE2 3.65Å; D306-H308 PolarHBondContact OD2-NE2 2.85Å; D306-S366 WeakPolarHBondContact OD2-CB 3.32Å; D306-S366 PolarHBondContact OD2-OG 2.96Å; D306-I367 HydrophobicContact CB-CG2 4.22Å; D306-F379 PolarHBondContact N-O 3.15Å; D306-T380 CarbonylContact O-C 3.57Å; D306-T380 WeakPolarHBondContact O-CA 3.41Å; D306-F381 PolarHBondContact O-N 2.78Å
307L98.9Very high98.6Very high0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-99.7118178.7-56.6-174.2000110.7L176 N177 A178 S187 T190 I305 F381 L409L176-L307 HydrophobicContact CD1-CD1 3.98Å; L176-L307 HydrophobicContact CD1-CD2 4.09Å; L176-L307 HydrophobicContact CD1-CG 3.81Å; N177-L307 PolarHBondContact O-N 3.37Å; A178-L307 HydrophobicContact CB-CB 3.98Å; A178-L307 HydrophobicContact CB-CD1 4.35Å; S187-L307 WeakPolarHBondContact CB-O 3.49Å; T190-L307 HydrophobicContact CG2-CD1 4.32Å; I305-L307 HydrophobicContact CG2-CD2 3.99Å; L307-F381 HydrophobicContact CD2-CB 3.74Å; L307-F381 HydrophobicContact CD2-CD2 3.86Å; L307-F381 HydrophobicContact CD2-CG 3.95Å; L307-L409 HydrophobicContact CD2-CD2 4.39Å
308H98.9Very high98.6Very high1 Ų112.2 Ų12.21%0.0057%0.074CC..EExtended strand (participates in β ladder)trans-121.2175177.6-75.7-83000111.9I180 H181 E184 N256 D306 F381 E382 L383I180-H308 WeakPolarHBondContact CG2-CE1 3.44Å; H181-H308 AromaticContact CE1-CE1 3.16Å; H181-H308 PolarHBondContact CE1-CE1 3.1Å; H181-H308 AromaticContact CE1-ND1 3.56Å; H181-H308 AromaticContact ND1-CE1 3.21Å; H181-H308 PolarHBondContact ND1-CE1 3.41Å; H181-H308 AromaticContact ND1-ND1 3.16Å; H181-H308 PolarHBondContact ND1-ND1 3.42Å; H181-H308 VanDerWaalsContact ND1-ND1 3.16Å; E184-H308 IonicContact OE1-ND1 2.78Å; E184-H308 WeakPolarHBondContact OE2-CA 3.49Å; E184-H308 VanDerWaalsContact OE2-CB 3.24Å; E184-H308 WeakPolarHBondContact OE2-CB 3.42Å; E184-H308 IonicContact OE2-CE1 2.98Å; E184-H308 IonicContact OE2-CG 2.75Å; E184-H308 IonicContact OE2-ND1 2.96Å; E184-H308 PolarHBondContact OE2-ND1 3Å; N256-H308 PolarHBondContact ND2-NE2 2.96Å; D306-H308 IonicContact OD1-CD2 3.58Å; D306-H308 IonicContact OD1-NE2 3.8Å; D306-H308 IonicContact OD2-CD2 2.67Å; D306-H308 IonicContact OD2-NE2 3.65Å; D306-H308 PolarHBondContact OD2-NE2 2.85Å; H308-F381 WeakPolarHBondContact CA-O 3.47Å; H308-F381 VanDerWaalsContact CB-O 3.29Å; H308-F381 WeakPolarHBondContact CB-O 3.36Å; H308-F381 PolarHBondContact N-O 2.57Å; H308-E382 VanDerWaalsContact CB-OE2 3.3Å; H308-E382 WeakPolarHBondContact CB-OE2 3.47Å; H308-L383 WeakPolarHBondContact O-CB 3.49Å; H308-L383 WeakPolarHBondContact O-CG 3.49Å; H308-L383 PolarHBondContact O-N 2.98Å
309S98.6Very high98.5Very high3 Ų311.2 Ų11.22%0.0217%0.07CC..EExtended strand (participates in β ladder)trans-146.4157.2160.164.30000109.7E184 I186 E382 F391E184-S309 WeakPolarHBondContact CA-OG 3.41Å; E184-S309 WeakPolarHBondContact CB-OG 3.36Å; E184-S309 WeakPolarHBondContact CG-O 3.29Å; E184-S309 PolarHBondContact OE2-N 2.72Å; I186-S309 WeakPolarHBondContact CG2-OG 3.38Å; S309-E382 WeakPolarHBondContact CA-OE2 3.31Å; S309-E382 PolarHBondContact N-OE2 3.11Å; S309-F391 VanDerWaalsContact O-CE1 3.31Å; S309-F391 WeakPolarHBondContact O-CE1 3.41Å
310Y98.4Very high98.4Very high8 Ų811 Ų113%0.0315%0.051CC..SBendcis-125.31580.962.8-85.8000108.5W54 D65 E382 D385 G387 G390 F391W54-Y310 HydrophobicContact CB-CE1 4.17Å; W54-Y310 VanDerWaalsContact CB-OH 3.31Å; W54-Y310 WeakPolarHBondContact CB-OH 3.26Å; W54-Y310 HydrophobicContact CE3-CE1 4.02Å; D65-Y310 WeakPolarHBondContact CB-OH 3.16Å; D65-Y310 PolarHBondContact OD2-OH 3.44Å; Y310-E382 PolarHBondContact N-OE2 2.91Å; Y310-D385 WeakPolarHBondContact CB-O 3.26Å; Y310-G387 VanDerWaalsContact CE2-CA 3.48Å; Y310-G390 VanDerWaalsContact CD1-CA 3.42Å; Y310-F391 AromaticContact CD1-CD1 3.67Å; Y310-F391 HydrophobicContact CD1-CD1 3.67Å; Y310-F391 AromaticContact CD1-CE1 3.51Å; Y310-F391 HydrophobicContact CD1-CE1 3.51Å; Y310-F391 HydrophobicContact CD1-CG 4.23Å; Y310-F391 AromaticContact CD1-CZ 3.95Å; Y310-F391 HydrophobicContact CD1-CZ 3.95Å; Y310-F391 HydrophobicContact CE1-CD1 4.05Å; Y310-F391 HydrophobicContact CE1-CD2 4.25Å; Y310-F391 AromaticContact CE1-CE1 3.72Å; Y310-F391 HydrophobicContact CE1-CE1 3.72Å; Y310-F391 AromaticContact CE1-CE2 3.94Å; Y310-F391 HydrophobicContact CE1-CE2 3.94Å; Y310-F391 HydrophobicContact CE1-CG 4.3Å; Y310-F391 AromaticContact CE1-CZ 3.64Å; Y310-F391 HydrophobicContact CE1-CZ 3.64Å
311S97.5Very high98.1Very high14 Ų1411 Ų1110%0.0985%0.054CC..SBendtrans167-6.4162.6-88.70000112.9R62 L383 D385R62-S311 VanDerWaalsContact NH2-CB 3.34Å; R62-S311 PolarHBondContact NH2-OG 2.81Å; R62-S311 VanDerWaalsContact NH2-OG 3.09Å; S311-L383 PolarHBondContact N-O 2.85Å; S311-D385 VanDerWaalsContact CA-O 3.31Å; S311-D385 WeakPolarHBondContact CA-O 3.19Å; S311-D385 PolarHBondContact N-O 2.96Å
312Q98.6Very high97.8Very high29 Ų2914.1 Ų14.114%0.1368%0.082CC..  trans56.362.1-170.4-62.9173.7-16700112.4T348 E349 Y350 Q351 E382 L383 R384 T386Q312-T348 VanDerWaalsContact CD-CG2 3.41Å; Q312-T348 HydrophobicContact CG-CG2 4.09Å; Q312-E349 WeakPolarHBondContact CB-O 3.07Å; Q312-E349 PolarHBondContact NE2-O 2.81Å; Q312-Y350 VanDerWaalsContact C-CD1 3.45Å; Q312-Y350 HydrophobicContact CB-CD1 4.45Å; Q312-Y350 HydrophobicContact CB-CD2 3.82Å; Q312-Y350 HydrophobicContact CB-CE1 4.43Å; Q312-Y350 HydrophobicContact CB-CE2 3.81Å; Q312-Y350 HydrophobicContact CB-CG 4.15Å; Q312-Y350 HydrophobicContact CG-CD2 4.29Å; Q312-Y350 HydrophobicContact CG-CE2 3.84Å; Q312-Y350 VanDerWaalsContact O-CA 3.23Å; Q312-Y350 WeakPolarHBondContact O-CA 3.35Å; Q312-Q351 PolarHBondContact O-N 2.93Å; Q312-E382 CarbonylContact C-O 3.59Å; Q312-E382 WeakPolarHBondContact CA-O 3.3Å; Q312-E382 PolarHBondContact N-O 3.06Å; Q312-L383 PolarHBondContact N-O 2.91Å; Q312-L383 VanDerWaalsContact N-O 3.07Å; Q312-R384 HydrophobicContact CG-CG 4.48Å; Q312-T386 HydrophobicContact CB-CG2 4.35Å; Q312-T386 HydrophobicContact CG-CG2 4.19Å
313L98.3Very high97.5Very high1 Ų120.3 Ų20.31%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-123.1146.2178.8-46.2174.1000110.6R62 M315 Q351 T358 V359 F381 E382R62-L313 VanDerWaalsContact NH1-CD1 3.28Å; L313-M315 HydrophobicContact CB-CE 4.43Å; L313-M315 HydrophobicContact CB-CG 4.05Å; L313-M315 HydrophobicContact CB-SD 4.33Å; L313-M315 HydrophobicContact CD1-CE 4.44Å; L313-M315 HydrophobicContact CD1-SD 4.1Å; L313-Q351 WeakPolarHBondContact CA-O 3.23Å; L313-Q351 HydrophobicContact CD2-CB 3.69Å; L313-Q351 HydrophobicContact CD2-CG 4.5Å; L313-T358 HydrophobicContact CD1-CG2 4.43Å; L313-T358 HydrophobicContact CD2-CG2 4.17Å; L313-V359 HydrophobicContact CD1-CG2 3.18Å; L313-F381 CarbonylContact O-C 3.57Å; L313-F381 WeakPolarHBondContact O-CA 3.48Å; L313-E382 HydrophobicContact CB-CB 3.86Å; L313-E382 HydrophobicContact CB-CG 4.1Å; L313-E382 HydrophobicContact CD1-CB 4.3Å; L313-E382 HydrophobicContact CD1-CG 4.01Å; L313-E382 HydrophobicContact CG-CB 4.03Å; L313-E382 HydrophobicContact CG-CG 4.26Å; L313-E382 PolarHBondContact N-O 2.69Å; L313-E382 PolarHBondContact O-N 2.61Å
314L98.8Very high97.4Very high0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-126.7106.4167.3175.454.7000109.1A335 A338 Y350 Q351 V352 G353 F379 T380 F381L314-A335 HydrophobicContact CD2-CB 4.01Å; L314-A335 WeakPolarHBondContact CD2-O 3.43Å; L314-A335 HydrophobicContact CG-CB 3.96Å; L314-A338 HydrophobicContact CD2-CB 3.68Å; L314-Y350 HydrophobicContact CB-CD1 4.3Å; L314-Q351 PolarHBondContact N-O 2.92Å; L314-V352 HydrophobicContact CB-CG2 4.25Å; L314-V352 WeakPolarHBondContact O-CA 3.27Å; L314-G353 PolarHBondContact O-N 3.49Å; L314-F379 HydrophobicContact CD1-CB 4.18Å; L314-F379 HydrophobicContact CD1-CD1 4.39Å; L314-T380 WeakPolarHBondContact CA-O 3.25Å; L314-F381 HydrophobicContact CD1-CD1 4.09Å; L314-F381 HydrophobicContact CD1-CD2 3.67Å; L314-F381 HydrophobicContact CD1-CE1 3.86Å; L314-F381 HydrophobicContact CD1-CE2 3.41Å; L314-F381 VanDerWaalsContact CD1-CE2 3.41Å; L314-F381 HydrophobicContact CD1-CG 4Å; L314-F381 HydrophobicContact CD1-CZ 3.52Å; L314-F381 HydrophobicContact CD2-CE1 4.04Å; L314-F381 HydrophobicContact CD2-CZ 3.87Å; L314-F381 HydrophobicContact CG-CE1 4.38Å; L314-F381 HydrophobicContact CG-CZ 4.28Å
315M98.7Very high97.3Very high4 Ų428.3 Ų28.32%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-114.1162.4-169-58.4176.5-69.800112.3L313 G353 T355 T358 V359 F379 T380 E382L313-M315 HydrophobicContact CB-CE 4.43Å; L313-M315 HydrophobicContact CB-CG 4.05Å; L313-M315 HydrophobicContact CB-SD 4.33Å; L313-M315 HydrophobicContact CD1-CE 4.44Å; L313-M315 HydrophobicContact CD1-SD 4.1Å; M315-G353 VanDerWaalsContact CA-O 3.25Å; M315-G353 WeakPolarHBondContact CA-O 3.43Å; M315-T355 HydrophobicContact SD-CG2 4.28Å; M315-T358 HydrophobicContact CG-CG2 4.19Å; M315-T358 HydrophobicContact SD-CG2 4.46Å; M315-V359 HydrophobicContact CE-CG2 3.94Å; M315-V359 HydrophobicContact SD-CB 3.99Å; M315-V359 HydrophobicContact SD-CG2 3.21Å; M315-V359 WeakPolarHBondContact SD-CG2 3.48Å; M315-F379 CarbonylContact O-C 3.44Å; M315-F379 VanDerWaalsContact O-CA 3.27Å; M315-F379 WeakPolarHBondContact O-CA 3.41Å; M315-T380 HydrophobicContact CE-CG2 3.56Å; M315-T380 PolarHBondContact N-O 2.87Å; M315-T380 PolarHBondContact O-N 2.68Å; M315-E382 HydrophobicContact CE-CG 3.72Å
316Y98.8Very high97.3Very high10 Ų1033.6 Ų33.64%0.03918%0.179CC..EExtended strand (participates in β ladder)trans-144166.8175.650-95.6000110A328 L331 D332 A335 V352 G353 P354 T355 F379Y316-A328 HydrophobicContact CE2-CB 4.48Å; Y316-L331 HydrophobicContact CD1-CB 4.3Å; Y316-L331 HydrophobicContact CD2-CB 3.95Å; Y316-L331 HydrophobicContact CD2-CD1 4.34Å; Y316-L331 HydrophobicContact CE2-CB 4.48Å; Y316-L331 HydrophobicContact CG-CB 3.86Å; Y316-D332 HydrophobicContact CE1-CB 4.06Å; Y316-D332 VanDerWaalsContact OH-CB 3.26Å; Y316-D332 WeakPolarHBondContact OH-CB 3.18Å; Y316-D332 PolarHBondContact OH-OD1 3.46Å; Y316-A335 HydrophobicContact CD1-CB 4.04Å; Y316-A335 HydrophobicContact CE1-CB 4.23Å; Y316-V352 HydrophobicContact CE1-CG1 3.97Å; Y316-G353 PolarHBondContact N-O 2.98Å; Y316-P354 HydrophobicContact CE2-CB 4.24Å; Y316-P354 HydrophobicContact CE2-CG 3.72Å; Y316-P354 CarbonylContact O-C 3.58Å; Y316-P354 VanDerWaalsContact O-CA 3.27Å; Y316-P354 WeakPolarHBondContact O-CA 3.25Å; Y316-P354 WeakPolarHBondContact OH-CD 3.24Å; Y316-T355 PolarHBondContact O-N 2.57Å; Y316-T355 PolarHBondContact O-OG1 2.91Å; Y316-F379 HydrophobicContact CD1-CE1 4.42Å
317P98.7Very high97.2Very high1 Ų135.8 Ų35.81%0.00619%0.191CC..SBendtrans-56.8150.6-179.5-2935.2000114.6I367 Y371 A378P317-I367 HydrophobicContact CG-CB 4.47Å; P317-I367 HydrophobicContact CG-CD1 4.36Å; P317-Y371 HydrophobicContact CB-CD1 4.14Å; P317-Y371 HydrophobicContact CB-CG 4.11Å; P317-Y371 HydrophobicContact CG-CD1 4.4Å; P317-Y371 HydrophobicContact CG-CD2 4.32Å; P317-Y371 HydrophobicContact CG-CG 3.87Å; P317-A378 WeakPolarHBondContact CD-O 3.38Å; P317-A378 HydrophobicContact CG-CB 4.02Å
318Y98.3Very high97.2Very high24 Ų2436.4 Ų36.49%0.09420%0.196CC..  cis-102.1152.53.7-71-72.6000113.5Y320 K323 A325 C356 D368 Y371 D372Y318-Y320 HydrophobicContact CD1-CD1 4.18Å; Y318-Y320 AromaticContact CD1-CE1 3.43Å; Y318-Y320 HydrophobicContact CD1-CE1 3.43Å; Y318-Y320 VanDerWaalsContact CD1-CE1 3.43Å; Y318-Y320 HydrophobicContact CD1-CE2 4.39Å; Y318-Y320 AromaticContact CD1-CZ 3.55Å; Y318-Y320 AromaticContact CE1-CE1 3.76Å; Y318-Y320 HydrophobicContact CE1-CE1 3.76Å; Y318-Y320 AromaticContact CE1-CZ 3.69Å; Y318-Y320 VanDerWaalsContact CE1-OH 3.26Å; Y318-Y320 WeakPolarHBondContact CE1-OH 3.18Å; Y318-Y320 HydrophobicContact CG-CE1 4.33Å; Y318-K323 WeakPolarHBondContact CD2-O 3.35Å; Y318-A325 HydrophobicContact CD2-CB 4.14Å; Y318-A325 HydrophobicContact CE2-CB 3.97Å; Y318-C356 VanDerWaalsContact O-CB 3.24Å; Y318-C356 WeakPolarHBondContact O-CB 3.33Å; Y318-C356 PolarHBondContact O-N 2.86Å; Y318-D368 VanDerWaalsContact CA-OD1 3.24Å; Y318-D368 WeakPolarHBondContact CA-OD1 3.5Å; Y318-D368 HydrophobicContact CD1-CB 4.41Å; Y318-Y371 AromaticContact CE1-CD1 3.77Å; Y318-Y371 HydrophobicContact CE1-CD1 3.77Å; Y318-Y371 HydrophobicContact CE1-CE1 4.41Å; Y318-Y371 HydrophobicContact CE2-CD1 4.37Å; Y318-Y371 HydrophobicContact CE2-CE1 4.21Å; Y318-Y371 AromaticContact CZ-CD1 3.58Å; Y318-Y371 AromaticContact CZ-CE1 3.77Å; Y318-Y371 WeakPolarHBondContact OH-CD1 3.38Å; Y318-Y371 WeakPolarHBondContact OH-CE1 3.19Å; Y318-D372 WeakPolarHBondContact CE1-OD1 3.44Å; Y318-D372 PolarHBondContact OH-OD1 3.28Å
319G96.6Very high97.2Very high0 Ų045.6 Ų45.60%024%0.236CC..SBendtrans-92.6-45.6166.300000112.7S321 C356 P361 A362 D368G319-S321 PolarHBondContact O-N 2.99Å; G319-C356 WeakPolarHBondContact O-CB 3.46Å; G319-P361 WeakPolarHBondContact O-CA 3.44Å; G319-A362 CarbonylContact C-O 3.49Å; G319-A362 PolarHBondContact O-N 2.73Å; G319-D368 VanDerWaalsContact CA-OD2 3.25Å; G319-D368 WeakPolarHBondContact CA-OD2 3.39Å; G319-D368 VanDerWaalsContact N-CG 3.3Å; G319-D368 PolarHBondContact N-OD1 2.75Å; G319-D368 PolarHBondContact N-OD2 3.14Å
320Y95.4Very high97.2Very high55 Ų5548 Ų4822%0.21625%0.247CC..SBendtrans-71.7-16.4-174.965.1-108.4000114.4A261 S262 Y318 A362 D368 D372A261-Y320 HydrophobicContact CB-CD1 4.37Å; A261-Y320 HydrophobicContact CB-CE1 4.33Å; S262-Y320 VanDerWaalsContact CB-CG 3.48Å; Y318-Y320 HydrophobicContact CD1-CD1 4.18Å; Y318-Y320 AromaticContact CD1-CE1 3.43Å; Y318-Y320 HydrophobicContact CD1-CE1 3.43Å; Y318-Y320 VanDerWaalsContact CD1-CE1 3.43Å; Y318-Y320 HydrophobicContact CD1-CE2 4.39Å; Y318-Y320 AromaticContact CD1-CZ 3.55Å; Y318-Y320 AromaticContact CE1-CE1 3.76Å; Y318-Y320 HydrophobicContact CE1-CE1 3.76Å; Y318-Y320 AromaticContact CE1-CZ 3.69Å; Y318-Y320 VanDerWaalsContact CE1-OH 3.26Å; Y318-Y320 WeakPolarHBondContact CE1-OH 3.18Å; Y318-Y320 HydrophobicContact CG-CE1 4.33Å; Y320-A362 WeakPolarHBondContact CA-O 3.29Å; Y320-A362 PolarHBondContact N-O 3.11Å; Y320-D368 HydrophobicContact CD1-CB 3.68Å; Y320-D368 WeakPolarHBondContact CD1-OD2 3.34Å; Y320-D368 HydrophobicContact CE1-CB 3.79Å; Y320-D368 PolarHBondContact N-OD2 3.45Å; Y320-D372 WeakPolarHBondContact CE1-OD2 3.48Å; Y320-D372 PolarHBondContact OH-OD1 3.13Å; Y320-D372 PolarHBondContact OH-OD2 3.11Å
321S92.8Very high97.2Very high42 Ų4247.6 Ų47.629%0.29425%0.245SC..  trans-144146.4-176.4-176.50000111.7G319 K323 C356G319-S321 PolarHBondContact O-N 2.99Å; S321-K323 PolarHBondContact O-N 2.85Å; S321-K323 WeakPolarHBondContact OG-CB 3.47Å; S321-K323 PolarHBondContact OG-N 3.09Å; S321-K323 VanDerWaalsContact OG-N 3.1Å; S321-C356 WeakPolarHBondContact O-CB 2.9Å
322A92.4Very high97.3Very high77 Ų7748.6 Ų48.664%0.63625%0.25SC*.SBendtrans-76-3169.800000112.7K324A322-K324 PolarHBondContact O-N 3.25Å
323K93.1Very high97.3Very high155 Ų15553.8 Ų53.867%0.67427%0.271SS*.SBendtrans-61.8132.7171.8-175.1-179.1176.3-172.90108.9Y318 S321Y318-K323 WeakPolarHBondContact CD2-O 3.35Å; S321-K323 PolarHBondContact O-N 2.85Å; S321-K323 WeakPolarHBondContact OG-CB 3.47Å; S321-K323 PolarHBondContact OG-N 3.09Å; S321-K323 VanDerWaalsContact OG-N 3.1Å
324K95.1Very high97.3Very high164 Ų16453.7 Ų53.771%0.71327%0.271SS*.PPolyproline II helixtrans-72134.5175.8-64.1-175.9179.2-177.60110.1A322 A328A322-K324 PolarHBondContact O-N 3.25Å; K324-A328 HydrophobicContact CB-CB 4.29Å
325A97.6Very high97.3Very high4 Ų453.7 Ų53.73%0.03327%0.271CS..PPolyproline II helixtrans-55.6142.8166.700000110.5Y318 D327 A328 L331 Y371Y318-A325 HydrophobicContact CD2-CB 4.14Å; Y318-A325 HydrophobicContact CE2-CB 3.97Å; A325-D327 PolarHBondContact O-N 2.85Å; A325-A328 HydrophobicContact CB-CB 4.31Å; A325-A328 WeakPolarHBondContact O-CB 3.4Å; A325-A328 PolarHBondContact O-N 3.16Å; A325-L331 HydrophobicContact CB-CD1 4.45Å; A325-Y371 HydrophobicContact CB-CD1 4.48Å; A325-Y371 HydrophobicContact CB-CE1 3.66Å
326P98.4Very high97.3Very high113 Ų11359.8 Ų59.873%0.73429%0.294SS*.THydrogen-bonded Turntrans-49.5-39.6174.5-29.935.4000113.3Y371P326-Y371 WeakPolarHBondContact CD-OH 3.49Å
327D98.4Very high97.3Very high46 Ų4664.3 Ų64.325%0.24631%0.311CS..THydrogen-bonded Turntrans-92.411-178.8-57.7-79.7000113.9A325 K329 E330 L331 Y371 K376A325-D327 PolarHBondContact O-N 2.85Å; D327-K329 PolarHBondContact O-N 2.95Å; D327-E330 PolarHBondContact O-N 3.34Å; D327-L331 HydrophobicContact CB-CD1 4.28Å; D327-L331 HydrophobicContact CB-CG 4.24Å; D327-L331 WeakPolarHBondContact O-CG 2.93Å; D327-L331 PolarHBondContact O-N 2.88Å; D327-Y371 HydrophobicContact CB-CE2 4.43Å; D327-Y371 WeakPolarHBondContact CB-OH 3.4Å; D327-Y371 PolarHBondContact N-OH 2.8Å; D327-Y371 VanDerWaalsContact N-OH 3.13Å; D327-Y371 PolarHBondContact OD2-OH 3.22Å; D327-K376 HydrophobicContact CB-CD 4.42Å; D327-K376 HydrophobicContact CB-CG 4.15Å; D327-K376 WeakPolarHBondContact OD1-CE 3.43Å; D327-K376 IonicContact OD1-NZ 2.77Å; D327-K376 PolarHBondContact OD1-NZ 2.79Å
328A98.4Very high97.4Very high14 Ų1464.2 Ų64.212%0.11631%0.311CS..Hα-helixtrans-52.4-35.4-172.500000113.8Y316 K324 A325 D332Y316-A328 HydrophobicContact CE2-CB 4.48Å; K324-A328 HydrophobicContact CB-CB 4.29Å; A325-A328 HydrophobicContact CB-CB 4.31Å; A325-A328 WeakPolarHBondContact O-CB 3.4Å; A325-A328 PolarHBondContact O-N 3.16Å; A328-D332 WeakPolarHBondContact O-CB 3.42Å; A328-D332 PolarHBondContact O-N 2.99Å
329K98.6Very high97.4Very high193 Ų19363.5 Ų63.584%0.83931%0.31SS*.Hα-helixtrans-64.5-40.1177.2-175.9-179.6178.4-177.40112.4D327 K333D327-K329 PolarHBondContact O-N 2.95Å; K329-K333 PolarHBondContact O-N 3.33Å
330E98.8Very high97.5Very high53 Ų5371.5 Ų71.525%0.24834%0.344CS..Hα-helixtrans-74.3-45.5178.5-172.1177.5164.400110.6D327 D332 K333 V334 K376 F377 H415D327-E330 PolarHBondContact O-N 3.34Å; E330-D332 VanDerWaalsContact C-N 3.32Å; E330-D332 PolarHBondContact O-N 2.93Å; E330-K333 PolarHBondContact O-N 3.43Å; E330-K333 VanDerWaalsContact O-N 3.14Å; E330-V334 WeakPolarHBondContact O-CG2 3.33Å; E330-V334 PolarHBondContact O-N 3.34Å; E330-K376 IonicContact OE1-NZ 3.29Å; E330-K376 WeakPolarHBondContact OE2-CE 3.48Å; E330-K376 IonicContact OE2-NZ 2.82Å; E330-K376 PolarHBondContact OE2-NZ 3.45Å; E330-F377 WeakPolarHBondContact OE1-CE1 3.25Å; E330-H415 IonicContact OE1-CD2 3.75Å; E330-H415 IonicContact OE1-CE1 3.74Å; E330-H415 IonicContact OE1-NE2 3.51Å; E330-H415 PolarHBondContact OE1-NE2 3.31Å
331L98.8Very high97.6Very high0 Ų070 Ų700%034%0.344CS..Hα-helixtrans-57.1-45.1176.5-62.3173.4000111.6Y316 A325 D327 K333 V334 A335 Y371 K376 F377 F379Y316-L331 HydrophobicContact CD1-CB 4.3Å; Y316-L331 HydrophobicContact CD2-CB 3.95Å; Y316-L331 HydrophobicContact CD2-CD1 4.34Å; Y316-L331 HydrophobicContact CE2-CB 4.48Å; Y316-L331 HydrophobicContact CG-CB 3.86Å; A325-L331 HydrophobicContact CB-CD1 4.45Å; D327-L331 HydrophobicContact CB-CD1 4.28Å; D327-L331 HydrophobicContact CB-CG 4.24Å; D327-L331 WeakPolarHBondContact O-CG 2.93Å; D327-L331 PolarHBondContact O-N 2.88Å; L331-K333 PolarHBondContact O-N 3.41Å; L331-V334 PolarHBondContact O-N 3.17Å; L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.24Å; L331-A335 PolarHBondContact O-N 3.36Å; L331-Y371 HydrophobicContact CD1-CE2 4.05Å; L331-K376 VanDerWaalsContact CD2-O 3.32Å; L331-K376 WeakPolarHBondContact CD2-O 3.42Å; L331-F377 HydrophobicContact CD2-CD1 4.04Å; L331-F379 HydrophobicContact CB-CE1 4.24Å; L331-F379 HydrophobicContact CB-CZ 4.41Å; L331-F379 HydrophobicContact CD2-CE1 4.15Å; L331-F379 HydrophobicContact CD2-CE2 4.3Å; L331-F379 HydrophobicContact CD2-CZ 3.66Å
332D98.8Very high97.9Very high36 Ų3668 Ų6819%0.19333%0.33CS..Hα-helixtrans-60.7-44.4175.9-17174.6000112.2Y316 A328 E330 V334 A335 R336Y316-D332 HydrophobicContact CE1-CB 4.06Å; Y316-D332 VanDerWaalsContact OH-CB 3.26Å; Y316-D332 WeakPolarHBondContact OH-CB 3.18Å; Y316-D332 PolarHBondContact OH-OD1 3.46Å; A328-D332 WeakPolarHBondContact O-CB 3.42Å; A328-D332 PolarHBondContact O-N 2.99Å; E330-D332 VanDerWaalsContact C-N 3.32Å; E330-D332 PolarHBondContact O-N 2.93Å; D332-V334 VanDerWaalsContact C-N 3.34Å; D332-V334 PolarHBondContact O-N 3.05Å; D332-A335 PolarHBondContact O-N 3.23Å; D332-R336 WeakPolarHBondContact O-CB 3.4Å; D332-R336 VanDerWaalsContact O-CG 3.28Å; D332-R336 WeakPolarHBondContact O-CG 3.34Å; D332-R336 PolarHBondContact O-N 2.97Å; D332-R336 IonicContact OD1-CZ 2.73Å; D332-R336 IonicContact OD1-NE 2.66Å; D332-R336 PolarHBondContact OD1-NE 2.96Å; D332-R336 IonicContact OD1-NH2 3.35Å; D332-R336 PolarHBondContact OD1-NH2 2.88Å; D332-R336 IonicContact OD2-CZ 3.74Å; D332-R336 IonicContact OD2-NE 2.79Å; D332-R336 PolarHBondContact OD2-NE 2.73Å; D332-R336 IonicContact OD2-NH2 2.7Å; D332-R336 PolarHBondContact OD2-NH2 3.15Å
333K98.8Very high98.2Very high137 Ų13765.8 Ų65.860%0.59631%0.311SS*.Hα-helixtrans-63.2-40.4177.5-178.3-179.2176.7-174.10111.8K329 E330 L331 R337K329-K333 PolarHBondContact O-N 3.33Å; E330-K333 PolarHBondContact O-N 3.43Å; E330-K333 VanDerWaalsContact O-N 3.14Å; L331-K333 PolarHBondContact O-N 3.41Å; K333-R337 WeakPolarHBondContact O-CG 3.47Å; K333-R337 PolarHBondContact O-N 3.45Å
334V98.9Very high98.5Very high0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-67-50.8176.9175.60000110.2E330 L331 D332 R336 R337 A338 F379 I412 H415E330-V334 WeakPolarHBondContact O-CG2 3.33Å; E330-V334 PolarHBondContact O-N 3.34Å; L331-V334 PolarHBondContact O-N 3.17Å; D332-V334 VanDerWaalsContact C-N 3.34Å; D332-V334 PolarHBondContact O-N 3.05Å; V334-R336 PolarHBondContact O-N 3.32Å; V334-R337 PolarHBondContact O-N 3.11Å; V334-R337 VanDerWaalsContact O-N 3.15Å; V334-A338 PolarHBondContact O-N 3.45Å; V334-F379 HydrophobicContact CB-CZ 4.05Å; V334-F379 HydrophobicContact CG1-CE2 4.2Å; V334-F379 HydrophobicContact CG1-CZ 3.83Å; V334-I412 HydrophobicContact CG1-CB 4.45Å; V334-I412 HydrophobicContact CG1-CG1 3.98Å; V334-H415 HydrophobicContact CG1-CB 4.3Å; V334-H415 HydrophobicContact CG2-CB 4.2Å; V334-H415 VanDerWaalsContact CG2-CD2 3.41Å; V334-H415 WeakPolarHBondContact CG2-CD2 3.37Å; V334-H415 VanDerWaalsContact CG2-CG 3.46Å
335A98.9Very high98.5Very high0 Ų057.8 Ų57.80%029%0.292CS..Hα-helixtrans-59.5-43.2179.500000112.4L314 Y316 L331 D332 R337 A338 A339 V352 F379L314-A335 HydrophobicContact CD2-CB 4.01Å; L314-A335 WeakPolarHBondContact CD2-O 3.43Å; L314-A335 HydrophobicContact CG-CB 3.96Å; Y316-A335 HydrophobicContact CD1-CB 4.04Å; Y316-A335 HydrophobicContact CE1-CB 4.23Å; L331-A335 VanDerWaalsContact O-CB 3.29Å; L331-A335 WeakPolarHBondContact O-CB 3.24Å; L331-A335 PolarHBondContact O-N 3.36Å; D332-A335 PolarHBondContact O-N 3.23Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 2.88Å; A335-A338 PolarHBondContact O-N 3.08Å; A335-A339 WeakPolarHBondContact O-CB 3.26Å; A335-A339 PolarHBondContact O-N 3.03Å; A335-V352 HydrophobicContact CB-CG1 3.47Å; A335-V352 VanDerWaalsContact CB-CG1 3.47Å; A335-F379 HydrophobicContact CB-CD1 4.4Å; A335-F379 HydrophobicContact CB-CE1 4.01Å
336R98.9Very high98.4Very high132 Ų13260.4 Ų60.450%0.49831%0.31SS..Hα-helixtrans-63.7-37.5175.9-72.6-177.7-166.9-66.2-21113.1D332 V334 K340 V352D332-R336 WeakPolarHBondContact O-CB 3.4Å; D332-R336 VanDerWaalsContact O-CG 3.28Å; D332-R336 WeakPolarHBondContact O-CG 3.34Å; D332-R336 PolarHBondContact O-N 2.97Å; D332-R336 IonicContact OD1-CZ 2.73Å; D332-R336 IonicContact OD1-NE 2.66Å; D332-R336 PolarHBondContact OD1-NE 2.96Å; D332-R336 IonicContact OD1-NH2 3.35Å; D332-R336 PolarHBondContact OD1-NH2 2.88Å; D332-R336 IonicContact OD2-CZ 3.74Å; D332-R336 IonicContact OD2-NE 2.79Å; D332-R336 PolarHBondContact OD2-NE 2.73Å; D332-R336 IonicContact OD2-NH2 2.7Å; D332-R336 PolarHBondContact OD2-NH2 3.15Å; V334-R336 PolarHBondContact O-N 3.32Å; R336-K340 WeakPolarHBondContact O-CB 3.41Å; R336-K340 PolarHBondContact O-N 3.1Å; R336-V352 HydrophobicContact CG-CB 4.22Å; R336-V352 HydrophobicContact CG-CG1 3.92Å; R336-V352 HydrophobicContact CG-CG2 4.46Å
337R98.8Very high98.4Very high104 Ų10457.5 Ų57.539%0.39230%0.301SS..Hα-helixtrans-66.2-43.8174.2-76.9-172.4-63.6162.52.6111.1K333 V334 A335 K340 A341 T411 H415K333-R337 WeakPolarHBondContact O-CG 3.47Å; K333-R337 PolarHBondContact O-N 3.45Å; V334-R337 PolarHBondContact O-N 3.11Å; V334-R337 VanDerWaalsContact O-N 3.15Å; A335-R337 VanDerWaalsContact C-N 3.35Å; A335-R337 PolarHBondContact O-N 2.88Å; R337-K340 PolarHBondContact O-N 2.96Å; R337-A341 WeakPolarHBondContact O-CB 3.42Å; R337-A341 PolarHBondContact O-N 3.45Å; R337-T411 HydrophobicContact CB-CG2 3.88Å; R337-H415 PolarHBondContact NH2-ND1 3.49Å
338A98.9Very high98.3Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-62.6-45.9177.400000111.9L314 V334 A335 K340 A341 L342 G408 T411 I412L314-A338 HydrophobicContact CD2-CB 3.68Å; V334-A338 PolarHBondContact O-N 3.45Å; A335-A338 PolarHBondContact O-N 3.08Å; A338-K340 VanDerWaalsContact C-N 3.34Å; A338-K340 PolarHBondContact O-N 3.49Å; A338-A341 PolarHBondContact O-N 3.38Å; A338-L342 WeakPolarHBondContact O-CB 3.34Å; A338-L342 PolarHBondContact O-N 3.49Å; A338-G408 WeakPolarHBondContact CB-O 3.39Å; A338-T411 HydrophobicContact CB-CG2 4.23Å; A338-I412 HydrophobicContact CB-CD1 4.21Å; A338-I412 HydrophobicContact CB-CG1 3.9Å
339A98.8Very high98.3Very high9 Ų962.9 Ų62.97%0.07432%0.323CS..Hα-helixtrans-61.1-40.4175.200000112.2A335 L342 A343 V352A335-A339 WeakPolarHBondContact O-CB 3.26Å; A335-A339 PolarHBondContact O-N 3.03Å; A339-L342 PolarHBondContact O-N 3.1Å; A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.94Å; A339-V352 HydrophobicContact CB-CG2 3.63Å
340K98.8Very high98.3Very high168 Ų16854.8 Ų54.873%0.7329%0.288SS*.Hα-helixtrans-65.7-40.1175-175.5177.6179.2-179.90112.4R336 R337 A338 S344R336-K340 WeakPolarHBondContact O-CB 3.41Å; R336-K340 PolarHBondContact O-N 3.1Å; R337-K340 PolarHBondContact O-N 2.96Å; A338-K340 VanDerWaalsContact C-N 3.34Å; A338-K340 PolarHBondContact O-N 3.49Å; K340-S344 PolarHBondContact O-N 3.5Å
341A98.8Very high98.3Very high24 Ų2457 Ų5720%0.19830%0.298CS..Hα-helixtrans-65.8-43.9176.600000111.1R337 A338 S344 L407 T411R337-A341 WeakPolarHBondContact O-CB 3.42Å; R337-A341 PolarHBondContact O-N 3.45Å; A338-A341 PolarHBondContact O-N 3.38Å; A341-S344 WeakPolarHBondContact O-CB 3.48Å; A341-S344 PolarHBondContact O-N 3.01Å; A341-S344 VanDerWaalsContact O-N 3.17Å; A341-S344 PolarHBondContact O-OG 2.84Å; A341-L407 HydrophobicContact CB-CB 4.21Å; A341-T411 WeakPolarHBondContact CB-OG1 3.45Å
342L98.4Very high98.3Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-56.5-51.8173.8-176.4159.9000111A338 A339 S344 V345 T348 Y350 F381 E404A338-L342 WeakPolarHBondContact O-CB 3.34Å; A338-L342 PolarHBondContact O-N 3.49Å; A339-L342 PolarHBondContact O-N 3.1Å; L342-S344 PolarHBondContact O-N 2.88Å; L342-V345 PolarHBondContact O-N 2.81Å; L342-T348 HydrophobicContact CD2-CG2 4.46Å; L342-Y350 HydrophobicContact CD1-CD1 4.32Å; L342-Y350 HydrophobicContact CD1-CD2 4.07Å; L342-Y350 HydrophobicContact CD1-CE1 4Å; L342-Y350 HydrophobicContact CD1-CE2 3.72Å; L342-Y350 HydrophobicContact CD1-CG 4.37Å; L342-Y350 HydrophobicContact CD2-CD2 3.61Å; L342-Y350 HydrophobicContact CD2-CE2 3.44Å; L342-Y350 VanDerWaalsContact CD2-CE2 3.44Å; L342-Y350 HydrophobicContact CG-CD2 4.49Å; L342-Y350 HydrophobicContact CG-CE2 4.26Å; L342-F381 HydrophobicContact CD1-CE1 4.24Å; L342-E404 WeakPolarHBondContact CA-O 3.28Å; L342-E404 HydrophobicContact CD1-CG 4.44Å; L342-E404 HydrophobicContact CD2-CB 3.97Å; L342-E404 HydrophobicContact CD2-CG 3.79Å; L342-E404 HydrophobicContact CG-CB 3.88Å; L342-E404 HydrophobicContact CG-CG 3.86Å; L342-E404 WeakPolarHBondContact CG-O 3.49Å
343A98.3Very high98.2Very high29 Ų2956.3 Ų56.324%0.2430%0.296CS..Hα-helixtrans-60.1-22.2179.900000113.6A339 V345 G347 T348A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 2.94Å; A343-V345 PolarHBondContact O-N 2.98Å; A343-G347 WeakPolarHBondContact O-CA 3.39Å; A343-G347 PolarHBondContact O-N 2.94Å; A343-T348 WeakPolarHBondContact CB-O 3.37Å
344S98.4Very high98.1Very high87 Ų8751.3 Ų51.361%0.60828%0.277SS*.Hα-helixtrans-68.9-16.9-179.977.90000114.6K340 A341 L342K340-S344 PolarHBondContact O-N 3.5Å; A341-S344 WeakPolarHBondContact O-CB 3.48Å; A341-S344 PolarHBondContact O-N 3.01Å; A341-S344 VanDerWaalsContact O-N 3.17Å; A341-S344 PolarHBondContact O-OG 2.84Å; L342-S344 PolarHBondContact O-N 2.88Å
345V97Very high98Very high64 Ų6451.9 Ų51.939%0.38828%0.281SS..Hα-helixtrans-81.2-53.8178.5-175.50000110.9L342 A343 E404 L407L342-V345 PolarHBondContact O-N 2.81Å; A343-V345 PolarHBondContact O-N 2.98Å; V345-E404 HydrophobicContact CB-CB 3.97Å; V345-E404 HydrophobicContact CG1-CB 4.43Å; V345-E404 HydrophobicContact CG2-CB 4.23Å; V345-L407 HydrophobicContact CG2-CD1 3.35Å; V345-L407 HydrophobicContact CG2-CG 3.92Å
346S94.5Very high97.7Very high60 Ų6052.5 Ų52.542%0.4229%0.285SS..Hα-helixtrans-128.81.2-167.7-56.30000114.4T348 E404S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.89Å; S346-E404 WeakPolarHBondContact CB-OE2 3.46Å
347G97.7Very high97.3Very high52 Ų5250.1 Ų50.154%0.53629%0.285SS..  trans76.67.7-173.200000114.6A343 E349A343-G347 WeakPolarHBondContact O-CA 3.39Å; A343-G347 PolarHBondContact O-N 2.94Å; G347-E349 PolarHBondContact O-N 3.2Å
348T98.1Very high96.9Very high13 Ų1345.4 Ų45.48%0.0827%0.268CS..  trans-67.7115.3-177.3-47.10000111.3Q312 L342 A343 S346 Y350 R384 E404Q312-T348 VanDerWaalsContact CD-CG2 3.41Å; Q312-T348 HydrophobicContact CG-CG2 4.09Å; L342-T348 HydrophobicContact CD2-CG2 4.46Å; A343-T348 WeakPolarHBondContact CB-O 3.37Å; S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.89Å; T348-Y350 HydrophobicContact CG2-CD2 4.12Å; T348-Y350 HydrophobicContact CG2-CE2 3.69Å; T348-R384 HydrophobicContact CG2-CG 4.36Å; T348-R384 PolarHBondContact OG1-NH2 2.67Å; T348-E404 VanDerWaalsContact CB-OE2 3.29Å; T348-E404 WeakPolarHBondContact CB-OE2 3.49Å; T348-E404 PolarHBondContact OG1-OE1 3.32Å; T348-E404 PolarHBondContact OG1-OE2 3.46Å
349E98.2Very high96.3Very high160 Ų16046.2 Ų46.275%0.74827%0.273SS*.  trans-85.6128.1-177.4-62-170.5163.100111.6Q312 G347Q312-E349 WeakPolarHBondContact CB-O 3.07Å; Q312-E349 PolarHBondContact NE2-O 2.81Å; G347-E349 PolarHBondContact O-N 3.2Å
350Y98.4Very high95.6Very high23 Ų2347.4 Ų47.49%0.0928%0.275CS..  trans-112.1132.7175.7-85.9-124.6000110.9Q312 L314 L342 T348 F381 E382 L383Q312-Y350 VanDerWaalsContact C-CD1 3.45Å; Q312-Y350 HydrophobicContact CB-CD1 4.45Å; Q312-Y350 HydrophobicContact CB-CD2 3.82Å; Q312-Y350 HydrophobicContact CB-CE1 4.43Å; Q312-Y350 HydrophobicContact CB-CE2 3.81Å; Q312-Y350 HydrophobicContact CB-CG 4.15Å; Q312-Y350 HydrophobicContact CG-CD2 4.29Å; Q312-Y350 HydrophobicContact CG-CE2 3.84Å; Q312-Y350 VanDerWaalsContact O-CA 3.23Å; Q312-Y350 WeakPolarHBondContact O-CA 3.35Å; L314-Y350 HydrophobicContact CB-CD1 4.3Å; L342-Y350 HydrophobicContact CD1-CD1 4.32Å; L342-Y350 HydrophobicContact CD1-CD2 4.07Å; L342-Y350 HydrophobicContact CD1-CE1 4Å; L342-Y350 HydrophobicContact CD1-CE2 3.72Å; L342-Y350 HydrophobicContact CD1-CG 4.37Å; L342-Y350 HydrophobicContact CD2-CD2 3.61Å; L342-Y350 HydrophobicContact CD2-CE2 3.44Å; L342-Y350 VanDerWaalsContact CD2-CE2 3.44Å; L342-Y350 HydrophobicContact CG-CD2 4.49Å; L342-Y350 HydrophobicContact CG-CE2 4.26Å; T348-Y350 HydrophobicContact CG2-CD2 4.12Å; T348-Y350 HydrophobicContact CG2-CE2 3.69Å; Y350-F381 HydrophobicContact CE1-CD1 4.15Å; Y350-E382 WeakPolarHBondContact CE1-O 3.31Å; Y350-L383 WeakPolarHBondContact OH-CA 3.33Å
351Q97.6Very high95.2Very high99 Ų9942 Ų4246%0.46326%0.257SS..EExtended strand (participates in β ladder)trans-80.4136.3169.3-174.9-176.4300110.1Q312 L313 L314 T358Q312-Q351 PolarHBondContact O-N 2.93Å; L313-Q351 WeakPolarHBondContact CA-O 3.23Å; L313-Q351 HydrophobicContact CD2-CB 3.69Å; L313-Q351 HydrophobicContact CD2-CG 4.5Å; L314-Q351 PolarHBondContact N-O 2.92Å; Q351-T358 HydrophobicContact CG-CG2 4.01Å
352V98.4Very high94.9Very high18 Ų1841 Ų4111%0.10925%0.25CC..EExtended strand (participates in β ladder)trans-119.1134.8-176.7175.20000111.4L314 Y316 A335 R336 A339L314-V352 HydrophobicContact CB-CG2 4.25Å; L314-V352 WeakPolarHBondContact O-CA 3.27Å; Y316-V352 HydrophobicContact CE1-CG1 3.97Å; A335-V352 HydrophobicContact CB-CG1 3.47Å; A335-V352 VanDerWaalsContact CB-CG1 3.47Å; R336-V352 HydrophobicContact CG-CB 4.22Å; R336-V352 HydrophobicContact CG-CG1 3.92Å; R336-V352 HydrophobicContact CG-CG2 4.46Å; A339-V352 HydrophobicContact CB-CG2 3.63Å
353G97.5Very high94.8Very high4 Ų441 Ų414%0.04125%0.25CC..EExtended strand (participates in β ladder)trans169.3-177.7172.100000114.2L314 M315 Y316 T358L314-G353 PolarHBondContact O-N 3.49Å; M315-G353 VanDerWaalsContact CA-O 3.25Å; M315-G353 WeakPolarHBondContact CA-O 3.43Å; Y316-G353 PolarHBondContact N-O 2.98Å; G353-T358 VanDerWaalsContact CA-OG1 3.27Å; G353-T358 WeakPolarHBondContact CA-OG1 3.49Å; G353-T358 PolarHBondContact O-OG1 2.66Å
354P97.1Very high94.8Very high31 Ų3139.6 Ų39.620%0.20124%0.238CC..EExtended strand (participates in β ladder)trans-62144.2173-16.928.6000111.4Y316 C356 T357 T358Y316-P354 HydrophobicContact CE2-CB 4.24Å; Y316-P354 HydrophobicContact CE2-CG 3.72Å; Y316-P354 CarbonylContact O-C 3.58Å; Y316-P354 VanDerWaalsContact O-CA 3.27Å; Y316-P354 WeakPolarHBondContact O-CA 3.25Å; Y316-P354 WeakPolarHBondContact OH-CD 3.24Å; P354-C356 VanDerWaalsContact C-N 3.35Å; P354-C356 PolarHBondContact O-N 2.65Å; P354-T357 PolarHBondContact O-N 2.83Å; P354-T357 PolarHBondContact O-OG1 2.9Å; P354-T358 VanDerWaalsContact O-CB 3.26Å; P354-T358 WeakPolarHBondContact O-CB 3.28Å; P354-T358 PolarHBondContact O-N 3.39Å; P354-T358 PolarHBondContact O-OG1 2.97Å
355T96.2Very high94.8Very high13 Ų1335.7 Ų35.78%0.0821%0.211CC..Hα-helixtrans-54.9-47.3-178.6-600000112.4M315 Y316 T357 T358 V359 Y360M315-T355 HydrophobicContact SD-CG2 4.28Å; Y316-T355 PolarHBondContact O-N 2.57Å; Y316-T355 PolarHBondContact O-OG1 2.91Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.39Å; T355-T358 PolarHBondContact O-N 3.2Å; T355-V359 PolarHBondContact O-N 2.78Å; T355-Y360 PolarHBondContact O-N 2.7Å
356C92.9Very high94.9Very high12 Ų1232.7 Ų32.78%0.08119%0.192CC..Hα-helixtrans-56.5-36.6-176.7-175.20000113.4Y318 G319 S321 P354 Y360Y318-C356 VanDerWaalsContact O-CB 3.24Å; Y318-C356 WeakPolarHBondContact O-CB 3.33Å; Y318-C356 PolarHBondContact O-N 2.86Å; G319-C356 WeakPolarHBondContact O-CB 3.46Å; S321-C356 WeakPolarHBondContact O-CB 2.9Å; P354-C356 VanDerWaalsContact C-N 3.35Å; P354-C356 PolarHBondContact O-N 2.65Å; C356-Y360 CarbonylContact O-C 3.58Å
357T90.7Very high95.1Very high83 Ų8329.9 Ų29.951%0.50917%0.173SC..Hα-helixtrans-97.8-24-176.751.20000114P354 T355P354-T357 PolarHBondContact O-N 2.83Å; P354-T357 PolarHBondContact O-OG1 2.9Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.39Å
358T89.8Confident95.2Very high5 Ų527.4 Ų27.43%0.03115%0.147CC..Hα-helixtrans-88.1-38.6-177.1-50.70000111.3R62 L313 M315 Q351 G353 P354 T355R62-T358 WeakPolarHBondContact CD-O 3.45Å; R62-T358 PolarHBondContact NH1-O 3.14Å; L313-T358 HydrophobicContact CD1-CG2 4.43Å; L313-T358 HydrophobicContact CD2-CG2 4.17Å; M315-T358 HydrophobicContact CG-CG2 4.19Å; M315-T358 HydrophobicContact SD-CG2 4.46Å; Q351-T358 HydrophobicContact CG-CG2 4.01Å; G353-T358 VanDerWaalsContact CA-OG1 3.27Å; G353-T358 WeakPolarHBondContact CA-OG1 3.49Å; G353-T358 PolarHBondContact O-OG1 2.66Å; P354-T358 VanDerWaalsContact O-CB 3.26Å; P354-T358 WeakPolarHBondContact O-CB 3.28Å; P354-T358 PolarHBondContact O-N 3.39Å; P354-T358 PolarHBondContact O-OG1 2.97Å; T355-T358 PolarHBondContact O-N 3.2Å
359V86.6Confident95.2Very high17 Ų1726.9 Ų26.910%0.10314%0.144CC..SBendtrans-109.1-95.8175.7173.20000107.2S58 L313 M315 T355S58-V359 WeakPolarHBondContact CB-O 2.77Å; L313-V359 HydrophobicContact CD1-CG2 3.18Å; M315-V359 HydrophobicContact CE-CG2 3.94Å; M315-V359 HydrophobicContact SD-CB 3.99Å; M315-V359 HydrophobicContact SD-CG2 3.21Å; M315-V359 WeakPolarHBondContact SD-CG2 3.48Å; T355-V359 PolarHBondContact O-N 2.78Å
360Y84Confident95.2Very high33 Ų3319.2 Ų19.213%0.12911%0.108CC..  trans-158.9165.5177.453.3-96.8000108.8S56 R257 T355 C356 A362S56-Y360 VanDerWaalsContact OG-CE1 3.3Å; S56-Y360 WeakPolarHBondContact OG-CE1 3.5Å; S56-Y360 PolarHBondContact OG-OH 2.9Å; R257-Y360 PolarHBondContact NH2-OH 3.08Å; T355-Y360 PolarHBondContact O-N 2.7Å; C356-Y360 CarbonylContact O-C 3.58Å; Y360-A362 HydrophobicContact CD2-CB 4.07Å; Y360-A362 HydrophobicContact CE2-CB 3.77Å; Y360-A362 PolarHBondContact O-N 2.93Å; Y360-A362 VanDerWaalsContact O-N 3.13Å
361P91.1Very high95.3Very high54 Ų5419.1 Ų19.135%0.35111%0.107SC..  trans-59.7116.5173.1-2131.5000111K266 G267 G319K266-P361 HydrophobicContact CB-CB 4.28Å; G267-P361 VanDerWaalsContact CA-O 3.27Å; G267-P361 WeakPolarHBondContact CA-O 3.27Å; G319-P361 WeakPolarHBondContact O-CA 3.44Å
362A92.3Very high95.3Very high4 Ų417.7 Ų17.73%0.03310%0.103CC..  trans-137.4115.6-174.700000110.8K266 G319 Y320 Y360K266-A362 CarbonylContact O-C 3.36Å; K266-A362 WeakPolarHBondContact O-CA 3.5Å; G319-A362 CarbonylContact C-O 3.49Å; G319-A362 PolarHBondContact O-N 2.73Å; Y320-A362 WeakPolarHBondContact CA-O 3.29Å; Y320-A362 PolarHBondContact N-O 3.11Å; Y360-A362 HydrophobicContact CD2-CB 4.07Å; Y360-A362 HydrophobicContact CE2-CB 3.77Å; Y360-A362 PolarHBondContact O-N 2.93Å; Y360-A362 VanDerWaalsContact O-N 3.13Å
363S96.8Very high95.3Very high0 Ų020.6 Ų20.60%012%0.118CC..  trans-86.9156-18064.70000114.2R257 S262 G265 K266R257-S363 WeakPolarHBondContact CD-O 3.47Å; S262-S363 VanDerWaalsContact O-CB 3.23Å; S262-S363 WeakPolarHBondContact O-CB 3.47Å; G265-S363 VanDerWaalsContact C-OG 3.27Å; G265-S363 WeakPolarHBondContact CA-OG 3.26Å; G265-S363 PolarHBondContact N-OG 3.15Å; G265-S363 VanDerWaalsContact N-OG 3.08Å; G265-S363 PolarHBondContact O-OG 2.81Å; K266-S363 WeakPolarHBondContact O-CB 3.48Å; K266-S363 PolarHBondContact O-N 2.91Å; K266-S363 PolarHBondContact O-OG 2.79Å
364G98.3Very high95.3Very high0 Ų022.7 Ų22.70%014%0.14CC..SBendtrans69.632171.300000113.7N256 R257 N258 W259 A261N256-G364 CarbonylContact C-O 3.6Å; R257-G364 CarbonylContact C-O 3.32Å; R257-G364 WeakPolarHBondContact CA-O 3.27Å; R257-G364 PolarHBondContact N-O 2.79Å; N258-G364 PolarHBondContact N-O 2.92Å; W259-G364 WeakPolarHBondContact CB-O 3.42Å; W259-G364 VanDerWaalsContact CD1-O 3.25Å; W259-G364 PolarHBondContact N-O 3.4Å; W259-G364 WeakPolarHBondContact O-CA 3.28Å; A261-G364 VanDerWaalsContact O-CA 3.31Å; A261-G364 WeakPolarHBondContact O-CA 3.14Å; A261-G364 PolarHBondContact O-N 3.42Å
365S98.6Very high95.4Very high5 Ų521.5 Ų21.54%0.03513%0.132CC..  trans-86.2155.1178.773.90000112.8N256 D368 W369N256-S365 WeakPolarHBondContact OD1-CA 3.43Å; S365-D368 WeakPolarHBondContact OG-CB 3.37Å; S365-D368 PolarHBondContact OG-OD2 3.47Å; S365-D368 VanDerWaalsContact OG-OD2 3.07Å; S365-W369 PolarHBondContact O-N 3.48Å; S365-W369 VanDerWaalsContact O-N 3.14Å
366S98.8Very high95.5Very high0 Ų022.7 Ų22.70%014%0.136CC..Hα-helixtrans-57.7-49.6-179.960.30000112.9N256 D306 W369 A370N256-S366 PolarHBondContact OD1-N 3.47Å; N256-S366 PolarHBondContact OD1-OG 2.99Å; D306-S366 WeakPolarHBondContact OD2-CB 3.32Å; D306-S366 PolarHBondContact OD2-OG 2.96Å; S366-W369 PolarHBondContact O-N 3.47Å; S366-A370 PolarHBondContact O-N 3.48Å
367I98.6Very high95.8Very high1 Ų122.2 Ų22.21%0.00513%0.132CC..Hα-helixtrans-72.5-32.4-175.756.2156.2000112.9F304 D306 P317 A370 Y371 A378 F379 T380F304-I367 HydrophobicContact CD1-CG2 4.02Å; F304-I367 HydrophobicContact CE1-CG2 4.35Å; D306-I367 HydrophobicContact CB-CG2 4.22Å; P317-I367 HydrophobicContact CG-CB 4.47Å; P317-I367 HydrophobicContact CG-CD1 4.36Å; I367-A370 PolarHBondContact O-N 2.96Å; I367-Y371 WeakPolarHBondContact O-CB 3.43Å; I367-Y371 PolarHBondContact O-N 2.69Å; I367-A378 HydrophobicContact CB-CB 4.02Å; I367-A378 HydrophobicContact CG2-CB 4.4Å; I367-A378 WeakPolarHBondContact O-CB 3.4Å; I367-F379 WeakPolarHBondContact CG2-O 3.19Å; I367-T380 VanDerWaalsContact CD1-OG1 3.22Å; I367-T380 WeakPolarHBondContact CD1-OG1 3.43Å; I367-T380 WeakPolarHBondContact CG1-OG1 3.15Å; I367-T380 WeakPolarHBondContact CG2-OG1 3.32Å
368D98.8Very high96.2Very high0 Ų018.2 Ų18.20%011%0.108CC..Hα-helixtrans-65.7-44.1173.4-75.8-16.2000109.9A261 Y318 G319 Y320 S365 Y371 D372A261-D368 HydrophobicContact CB-CB 3.86Å; Y318-D368 VanDerWaalsContact CA-OD1 3.24Å; Y318-D368 WeakPolarHBondContact CA-OD1 3.5Å; Y318-D368 HydrophobicContact CD1-CB 4.41Å; G319-D368 VanDerWaalsContact CA-OD2 3.25Å; G319-D368 WeakPolarHBondContact CA-OD2 3.39Å; G319-D368 VanDerWaalsContact N-CG 3.3Å; G319-D368 PolarHBondContact N-OD1 2.75Å; G319-D368 PolarHBondContact N-OD2 3.14Å; Y320-D368 HydrophobicContact CD1-CB 3.68Å; Y320-D368 WeakPolarHBondContact CD1-OD2 3.34Å; Y320-D368 HydrophobicContact CE1-CB 3.79Å; Y320-D368 PolarHBondContact N-OD2 3.45Å; S365-D368 WeakPolarHBondContact OG-CB 3.37Å; S365-D368 PolarHBondContact OG-OD2 3.47Å; S365-D368 VanDerWaalsContact OG-OD2 3.07Å; D368-Y371 PolarHBondContact O-N 3.02Å; D368-D372 WeakPolarHBondContact O-CB 3.35Å; D368-D372 PolarHBondContact O-N 3.47Å
369W98.9Very high96.6Very high2 Ų218 Ų181%0.00811%0.107CC..Hα-helixtrans-62.1-45.6173.917288.4000112W259 A261 V292 I295 Q296 S365 S366 Y371 D372 N373W259-W369 HydrophobicContact CB-CB 3.87Å; W259-W369 HydrophobicContact CB-CG 4.34Å; W259-W369 HydrophobicContact CD2-CB 4.48Å; W259-W369 HydrophobicContact CE3-CB 4Å; W259-W369 AromaticContact CE3-CD2 3.58Å; W259-W369 HydrophobicContact CE3-CD2 3.58Å; W259-W369 AromaticContact CE3-CE3 3.55Å; W259-W369 HydrophobicContact CE3-CE3 3.55Å; W259-W369 AromaticContact CE3-CG 3.76Å; W259-W369 HydrophobicContact CE3-CG 3.76Å; W259-W369 HydrophobicContact CE3-CZ3 4.31Å; W259-W369 HydrophobicContact CG-CB 4.48Å; W259-W369 AromaticContact CZ3-CD2 3.89Å; W259-W369 HydrophobicContact CZ3-CD2 3.89Å; W259-W369 AromaticContact CZ3-CE3 3.41Å; W259-W369 HydrophobicContact CZ3-CE3 3.41Å; W259-W369 VanDerWaalsContact CZ3-CE3 3.41Å; W259-W369 HydrophobicContact CZ3-CH2 4.47Å; W259-W369 AromaticContact CZ3-CZ3 3.75Å; W259-W369 HydrophobicContact CZ3-CZ3 3.75Å; A261-W369 HydrophobicContact CB-CB 3.91Å; V292-W369 HydrophobicContact CB-CH2 4.46Å; V292-W369 HydrophobicContact CB-CZ2 4.1Å; V292-W369 HydrophobicContact CG1-CZ2 3.81Å; V292-W369 HydrophobicContact CG2-CD2 4.45Å; V292-W369 HydrophobicContact CG2-CH2 4.25Å; V292-W369 HydrophobicContact CG2-CZ2 3.86Å; I295-W369 HydrophobicContact CB-CH2 3.95Å; I295-W369 HydrophobicContact CB-CZ3 4.44Å; I295-W369 HydrophobicContact CD1-CH2 4.26Å; I295-W369 HydrophobicContact CD1-CZ3 3.9Å; I295-W369 HydrophobicContact CG2-CH2 3.71Å; I295-W369 HydrophobicContact CG2-CZ3 4.11Å; Q296-W369 HydrophobicContact CG-CZ2 4.17Å; S365-W369 PolarHBondContact O-N 3.48Å; S365-W369 VanDerWaalsContact O-N 3.14Å; S366-W369 PolarHBondContact O-N 3.47Å; W369-Y371 VanDerWaalsContact C-N 3.31Å; W369-Y371 PolarHBondContact O-N 3Å; W369-D372 PolarHBondContact O-N 2.97Å; W369-N373 VanDerWaalsContact CD1-ND2 3.34Å; W369-N373 PolarHBondContact NE1-ND2 2.71Å; W369-N373 VanDerWaalsContact NE1-ND2 3.18Å; W369-N373 WeakPolarHBondContact O-CB 3.41Å; W369-N373 PolarHBondContact O-N 3.3Å; W369-N373 PolarHBondContact O-ND2 3.26Å
370A98.9Very high97.2Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-59.4-45.5-179.700000110.8F304 S366 I367 N373 G374 I375 A378F304-A370 HydrophobicContact CB-CB 3.63Å; F304-A370 HydrophobicContact CD1-CB 4.25Å; F304-A370 HydrophobicContact CD2-CB 3.8Å; F304-A370 HydrophobicContact CG-CB 3.64Å; S366-A370 PolarHBondContact O-N 3.48Å; I367-A370 PolarHBondContact O-N 2.96Å; A370-N373 CarbonylContact O-C 3.57Å; A370-N373 PolarHBondContact O-N 3.31Å; A370-G374 PolarHBondContact O-N 2.74Å; A370-I375 HydrophobicContact CB-CB 4.24Å; A370-I375 HydrophobicContact CB-CD1 4.1Å; A370-I375 VanDerWaalsContact O-CB 3.28Å; A370-I375 WeakPolarHBondContact O-CB 3.34Å; A370-I375 PolarHBondContact O-N 3.18Å; A370-A378 HydrophobicContact CB-CB 4.26Å
371Y98.8Very high97.9Very high20 Ų2015.9 Ų15.98%0.07810%0.097CC..Hα-helixtrans-67.4-44.2179.7-170.7-100.8000112.7P317 Y318 A325 P326 D327 L331 I367 D368 W369 N373 G374 I375 K376P317-Y371 HydrophobicContact CB-CD1 4.14Å; P317-Y371 HydrophobicContact CB-CG 4.11Å; P317-Y371 HydrophobicContact CG-CD1 4.4Å; P317-Y371 HydrophobicContact CG-CD2 4.32Å; P317-Y371 HydrophobicContact CG-CG 3.87Å; Y318-Y371 AromaticContact CE1-CD1 3.77Å; Y318-Y371 HydrophobicContact CE1-CD1 3.77Å; Y318-Y371 HydrophobicContact CE1-CE1 4.41Å; Y318-Y371 HydrophobicContact CE2-CD1 4.37Å; Y318-Y371 HydrophobicContact CE2-CE1 4.21Å; Y318-Y371 AromaticContact CZ-CD1 3.58Å; Y318-Y371 AromaticContact CZ-CE1 3.77Å; Y318-Y371 WeakPolarHBondContact OH-CD1 3.38Å; Y318-Y371 WeakPolarHBondContact OH-CE1 3.19Å; A325-Y371 HydrophobicContact CB-CD1 4.48Å; A325-Y371 HydrophobicContact CB-CE1 3.66Å; P326-Y371 WeakPolarHBondContact CD-OH 3.49Å; D327-Y371 HydrophobicContact CB-CE2 4.43Å; D327-Y371 WeakPolarHBondContact CB-OH 3.4Å; D327-Y371 PolarHBondContact N-OH 2.8Å; D327-Y371 VanDerWaalsContact N-OH 3.13Å; D327-Y371 PolarHBondContact OD2-OH 3.22Å; L331-Y371 HydrophobicContact CD1-CE2 4.05Å; I367-Y371 WeakPolarHBondContact O-CB 3.43Å; I367-Y371 PolarHBondContact O-N 2.69Å; D368-Y371 PolarHBondContact O-N 3.02Å; W369-Y371 VanDerWaalsContact C-N 3.31Å; W369-Y371 PolarHBondContact O-N 3Å; Y371-N373 PolarHBondContact O-N 2.79Å; Y371-G374 PolarHBondContact O-N 3.47Å; Y371-I375 WeakPolarHBondContact CA-O 3.45Å; Y371-K376 VanDerWaalsContact CD2-O 3.24Å; Y371-K376 WeakPolarHBondContact CD2-O 3.3Å; Y371-K376 HydrophobicContact CE2-CG 4.45Å; Y371-K376 WeakPolarHBondContact CE2-O 3.25Å
372D98.6Very high98.3Very high70 Ų7014.8 Ų14.837%0.3749%0.088SC..Hα-helixtrans-65.5-20175.3-75.7-16.9000112.6Y318 Y320 D368 W369Y318-D372 WeakPolarHBondContact CE1-OD1 3.44Å; Y318-D372 PolarHBondContact OH-OD1 3.28Å; Y320-D372 WeakPolarHBondContact CE1-OD2 3.48Å; Y320-D372 PolarHBondContact OH-OD1 3.13Å; Y320-D372 PolarHBondContact OH-OD2 3.11Å; D368-D372 WeakPolarHBondContact O-CB 3.35Å; D368-D372 PolarHBondContact O-N 3.47Å; W369-D372 PolarHBondContact O-N 2.97Å
373N98.6Very high98.6Very high78 Ų7814.6 Ų14.642%0.4179%0.086SC..THydrogen-bonded Turntrans-94.616.5172.6-74.8-100.8000113.3W369 A370 Y371W369-N373 VanDerWaalsContact CD1-ND2 3.34Å; W369-N373 PolarHBondContact NE1-ND2 2.71Å; W369-N373 VanDerWaalsContact NE1-ND2 3.18Å; W369-N373 WeakPolarHBondContact O-CB 3.41Å; W369-N373 PolarHBondContact O-N 3.3Å; W369-N373 PolarHBondContact O-ND2 3.26Å; A370-N373 CarbonylContact O-C 3.57Å; A370-N373 PolarHBondContact O-N 3.31Å; Y371-N373 PolarHBondContact O-N 2.79Å
374G98.2Very high98.7Very high49 Ų4916 Ų1651%0.5059%0.091SC..THydrogen-bonded Turntrans87.58.2170.900000115.5A370 Y371 K376A370-G374 PolarHBondContact O-N 2.74Å; Y371-G374 PolarHBondContact O-N 3.47Å; G374-K376 PolarHBondContact O-N 3.31Å
375I98.8Very high98.7Very high6 Ų616.5 Ų16.53%0.0319%0.094CC..  trans-86.487.6172-51.3175.5000108.1I295 F301 K302 F304 A370 Y371 F377I295-I375 HydrophobicContact CG2-CD1 3.75Å; F301-I375 HydrophobicContact CB-CD1 3.69Å; F301-I375 HydrophobicContact CB-CG1 4.1Å; K302-I375 VanDerWaalsContact C-CG2 3.49Å; F304-I375 HydrophobicContact CB-CG2 4.07Å; A370-I375 HydrophobicContact CB-CB 4.24Å; A370-I375 HydrophobicContact CB-CD1 4.1Å; A370-I375 VanDerWaalsContact O-CB 3.28Å; A370-I375 WeakPolarHBondContact O-CB 3.34Å; A370-I375 PolarHBondContact O-N 3.18Å; Y371-I375 WeakPolarHBondContact CA-O 3.45Å; I375-F377 VanDerWaalsContact C-N 3.31Å; I375-F377 PolarHBondContact O-N 2.92Å
376K98.5Very high98.6Very high38 Ų3819.3 Ų19.317%0.16511%0.111CC..SBendtrans-52.5-45.2-174-179.2172.4160.9150.70113.2D327 E330 L331 Y371 G374 A378 Y421D327-K376 HydrophobicContact CB-CD 4.42Å; D327-K376 HydrophobicContact CB-CG 4.15Å; D327-K376 WeakPolarHBondContact OD1-CE 3.43Å; D327-K376 IonicContact OD1-NZ 2.77Å; D327-K376 PolarHBondContact OD1-NZ 2.79Å; E330-K376 IonicContact OE1-NZ 3.29Å; E330-K376 WeakPolarHBondContact OE2-CE 3.48Å; E330-K376 IonicContact OE2-NZ 2.82Å; E330-K376 PolarHBondContact OE2-NZ 3.45Å; L331-K376 VanDerWaalsContact CD2-O 3.32Å; L331-K376 WeakPolarHBondContact CD2-O 3.42Å; Y371-K376 VanDerWaalsContact CD2-O 3.24Å; Y371-K376 WeakPolarHBondContact CD2-O 3.3Å; Y371-K376 HydrophobicContact CE2-CG 4.45Å; Y371-K376 WeakPolarHBondContact CE2-O 3.25Å; G374-K376 PolarHBondContact O-N 3.31Å; K376-A378 PolarHBondContact O-N 3.21Å; K376-A378 VanDerWaalsContact O-N 3.14Å; K376-Y421 HydrophobicContact CB-CE1 3.73Å; K376-Y421 HydrophobicContact CB-CE2 4.19Å; K376-Y421 WeakPolarHBondContact CB-OH 3.38Å; K376-Y421 HydrophobicContact CD-CD1 4.42Å; K376-Y421 HydrophobicContact CD-CE1 3.94Å; K376-Y421 HydrophobicContact CG-CE1 4.42Å; K376-Y421 PolarHBondContact N-OH 2.5Å
377F98.8Very high98.4Very high1 Ų119.5 Ų19.50%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-89.276.3-175.9-59-62000110.4K302 C303 F304 E330 L331 I375 F379 H415 V416 N419 Y421K302-F377 WeakPolarHBondContact O-CD2 3.46Å; K302-F377 PolarHBondContact O-N 2.96Å; C303-F377 CarbonylContact C-O 3.59Å; C303-F377 VanDerWaalsContact CA-O 3.22Å; C303-F377 WeakPolarHBondContact CA-O 3.09Å; C303-F377 HydrophobicContact CB-CB 4.11Å; C303-F377 PolarHBondContact SG-O 3.06Å; F304-F377 PolarHBondContact N-O 2.88Å; E330-F377 WeakPolarHBondContact OE1-CE1 3.25Å; L331-F377 HydrophobicContact CD2-CD1 4.04Å; I375-F377 VanDerWaalsContact C-N 3.31Å; I375-F377 PolarHBondContact O-N 2.92Å; F377-F379 HydrophobicContact CB-CE2 3.97Å; F377-F379 HydrophobicContact CD1-CE2 4.42Å; F377-H415 AromaticContact CE1-CD2 3.41Å; F377-H415 VanDerWaalsContact CE1-CD2 3.41Å; F377-H415 WeakPolarHBondContact CE1-CD2 3.5Å; F377-H415 AromaticContact CE1-NE2 3.59Å; F377-H415 AromaticContact CZ-CD2 3.49Å; F377-H415 VanDerWaalsContact CZ-CD2 3.49Å; F377-H415 WeakPolarHBondContact CZ-CD2 3.45Å; F377-H415 AromaticContact CZ-NE2 3.65Å; F377-V416 HydrophobicContact CB-CG2 4Å; F377-V416 HydrophobicContact CD2-CB 4.2Å; F377-V416 HydrophobicContact CD2-CG1 4.14Å; F377-V416 HydrophobicContact CD2-CG2 3.59Å; F377-V416 HydrophobicContact CE2-CB 4.49Å; F377-V416 HydrophobicContact CE2-CG2 4.23Å; F377-V416 HydrophobicContact CG-CG2 3.88Å; F377-N419 HydrophobicContact CZ-CB 4.21Å; F377-Y421 HydrophobicContact CD2-CE1 4.09Å; F377-Y421 HydrophobicContact CE2-CD1 4.41Å; F377-Y421 AromaticContact CE2-CE1 3.71Å; F377-Y421 HydrophobicContact CE2-CE1 3.71Å; F377-Y421 HydrophobicContact CZ-CE1 4.48Å
378A98.9Very high98.3Very high0 Ų023.4 Ų23.40%014%0.137CC..EExtended strand (participates in β ladder)trans-105.1122.3176.800000110.5F304 P317 I367 A370 K376F304-A378 CarbonylContact O-C 3.52Å; F304-A378 VanDerWaalsContact O-CA 3.28Å; F304-A378 WeakPolarHBondContact O-CA 3.35Å; P317-A378 WeakPolarHBondContact CD-O 3.38Å; P317-A378 HydrophobicContact CG-CB 4.02Å; I367-A378 HydrophobicContact CB-CB 4.02Å; I367-A378 HydrophobicContact CG2-CB 4.4Å; I367-A378 WeakPolarHBondContact O-CB 3.4Å; A370-A378 HydrophobicContact CB-CB 4.26Å; K376-A378 PolarHBondContact O-N 3.21Å; K376-A378 VanDerWaalsContact O-N 3.14Å
379F98.9Very high98.2Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-136.4144.9-176-63.5-77.7000112.5F304 I305 D306 L314 M315 Y316 L331 V334 A335 I367 F377 I412F304-F379 PolarHBondContact O-N 3.46Å; I305-F379 WeakPolarHBondContact CA-O 3.33Å; D306-F379 PolarHBondContact N-O 3.15Å; L314-F379 HydrophobicContact CD1-CB 4.18Å; L314-F379 HydrophobicContact CD1-CD1 4.39Å; M315-F379 CarbonylContact O-C 3.44Å; M315-F379 VanDerWaalsContact O-CA 3.27Å; M315-F379 WeakPolarHBondContact O-CA 3.41Å; Y316-F379 HydrophobicContact CD1-CE1 4.42Å; L331-F379 HydrophobicContact CB-CE1 4.24Å; L331-F379 HydrophobicContact CB-CZ 4.41Å; L331-F379 HydrophobicContact CD2-CE1 4.15Å; L331-F379 HydrophobicContact CD2-CE2 4.3Å; L331-F379 HydrophobicContact CD2-CZ 3.66Å; V334-F379 HydrophobicContact CB-CZ 4.05Å; V334-F379 HydrophobicContact CG1-CE2 4.2Å; V334-F379 HydrophobicContact CG1-CZ 3.83Å; A335-F379 HydrophobicContact CB-CD1 4.4Å; A335-F379 HydrophobicContact CB-CE1 4.01Å; I367-F379 WeakPolarHBondContact CG2-O 3.19Å; F377-F379 HydrophobicContact CB-CE2 3.97Å; F377-F379 HydrophobicContact CD1-CE2 4.42Å; F379-I412 HydrophobicContact CB-CD1 4.47Å; F379-I412 HydrophobicContact CD2-CD1 4.03Å; F379-I412 HydrophobicContact CD2-CG1 4.47Å; F379-I412 HydrophobicContact CD2-CG2 3.85Å; F379-I412 HydrophobicContact CE2-CD1 4.47Å; F379-I412 HydrophobicContact CE2-CG1 4.46Å; F379-I412 HydrophobicContact CE2-CG2 3.77Å; F379-I412 HydrophobicContact CG-CD1 4.19Å
380T98.9Very high98.2Very high6 Ų627.1 Ų27.14%0.03715%0.152CC..EExtended strand (participates in β ladder)trans-115.3129170-660000109.5D306 L314 M315 I367D306-T380 CarbonylContact O-C 3.57Å; D306-T380 WeakPolarHBondContact O-CA 3.41Å; L314-T380 WeakPolarHBondContact CA-O 3.25Å; M315-T380 HydrophobicContact CE-CG2 3.56Å; M315-T380 PolarHBondContact N-O 2.87Å; M315-T380 PolarHBondContact O-N 2.68Å; I367-T380 VanDerWaalsContact CD1-OG1 3.22Å; I367-T380 WeakPolarHBondContact CD1-OG1 3.43Å; I367-T380 WeakPolarHBondContact CG1-OG1 3.15Å; I367-T380 WeakPolarHBondContact CG2-OG1 3.32Å
381F98.9Very high98.1Very high0 Ų027.4 Ų27.40%015%0.153CC..EExtended strand (participates in β ladder)trans-98.2129.5166.3-78.3-101.4000109.4I305 D306 L307 H308 L313 L314 L342 Y350 L383 T405 L409 I412I305-F381 HydrophobicContact CG2-CD2 3.78Å; I305-F381 HydrophobicContact CG2-CE2 3.95Å; D306-F381 PolarHBondContact O-N 2.78Å; L307-F381 HydrophobicContact CD2-CB 3.74Å; L307-F381 HydrophobicContact CD2-CD2 3.86Å; L307-F381 HydrophobicContact CD2-CG 3.95Å; H308-F381 WeakPolarHBondContact CA-O 3.47Å; H308-F381 VanDerWaalsContact CB-O 3.29Å; H308-F381 WeakPolarHBondContact CB-O 3.36Å; H308-F381 PolarHBondContact N-O 2.57Å; L313-F381 CarbonylContact O-C 3.57Å; L313-F381 WeakPolarHBondContact O-CA 3.48Å; L314-F381 HydrophobicContact CD1-CD1 4.09Å; L314-F381 HydrophobicContact CD1-CD2 3.67Å; L314-F381 HydrophobicContact CD1-CE1 3.86Å; L314-F381 HydrophobicContact CD1-CE2 3.41Å; L314-F381 VanDerWaalsContact CD1-CE2 3.41Å; L314-F381 HydrophobicContact CD1-CG 4Å; L314-F381 HydrophobicContact CD1-CZ 3.52Å; L314-F381 HydrophobicContact CD2-CE1 4.04Å; L314-F381 HydrophobicContact CD2-CZ 3.87Å; L314-F381 HydrophobicContact CG-CE1 4.38Å; L314-F381 HydrophobicContact CG-CZ 4.28Å; L342-F381 HydrophobicContact CD1-CE1 4.24Å; Y350-F381 HydrophobicContact CE1-CD1 4.15Å; F381-L383 HydrophobicContact CB-CD2 4.15Å; F381-L383 HydrophobicContact CD1-CD2 4.48Å; F381-T405 HydrophobicContact CD1-CG2 4.45Å; F381-L409 HydrophobicContact CE2-CD2 4Å; F381-L409 HydrophobicContact CZ-CD2 4.43Å; F381-I412 HydrophobicContact CE2-CD1 3.68Å; F381-I412 HydrophobicContact CZ-CD1 3.82Å
382E98.8Very high98.1Very high31 Ų3126.8 Ų26.815%0.14515%0.151CC..EExtended strand (participates in β ladder)trans-101.3108.3158.2-67.7-73.8-178.500106.7H308 S309 Y310 Q312 L313 M315 Y350H308-E382 VanDerWaalsContact CB-OE2 3.3Å; H308-E382 WeakPolarHBondContact CB-OE2 3.47Å; S309-E382 WeakPolarHBondContact CA-OE2 3.31Å; S309-E382 PolarHBondContact N-OE2 3.11Å; Y310-E382 PolarHBondContact N-OE2 2.91Å; Q312-E382 CarbonylContact C-O 3.59Å; Q312-E382 WeakPolarHBondContact CA-O 3.3Å; Q312-E382 PolarHBondContact N-O 3.06Å; L313-E382 HydrophobicContact CB-CB 3.86Å; L313-E382 HydrophobicContact CB-CG 4.1Å; L313-E382 HydrophobicContact CD1-CB 4.3Å; L313-E382 HydrophobicContact CD1-CG 4.01Å; L313-E382 HydrophobicContact CG-CB 4.03Å; L313-E382 HydrophobicContact CG-CG 4.26Å; L313-E382 PolarHBondContact N-O 2.69Å; L313-E382 PolarHBondContact O-N 2.61Å; M315-E382 HydrophobicContact CE-CG 3.72Å; Y350-E382 WeakPolarHBondContact CE1-O 3.31Å
383L98.9Very high98.1Very high0 Ų023.5 Ų23.50%013%0.133CC..EExtended strand (participates in β ladder)trans-71.7-169.5-174-61.9177.5000112.2I186 T190 H308 S311 Q312 Y350 F381 T401 T405I186-L383 HydrophobicContact CG1-CD1 4.46Å; I186-L383 HydrophobicContact CG2-CB 4.23Å; I186-L383 HydrophobicContact CG2-CD1 4.32Å; T190-L383 HydrophobicContact CG2-CD1 4.35Å; H308-L383 WeakPolarHBondContact O-CB 3.49Å; H308-L383 WeakPolarHBondContact O-CG 3.49Å; H308-L383 PolarHBondContact O-N 2.98Å; S311-L383 PolarHBondContact N-O 2.85Å; Q312-L383 PolarHBondContact N-O 2.91Å; Q312-L383 VanDerWaalsContact N-O 3.07Å; Y350-L383 WeakPolarHBondContact OH-CA 3.33Å; F381-L383 HydrophobicContact CB-CD2 4.15Å; F381-L383 HydrophobicContact CD1-CD2 4.48Å; L383-T401 HydrophobicContact CB-CG2 4.13Å; L383-T401 HydrophobicContact CD1-CG2 4.33Å; L383-T401 HydrophobicContact CD2-CG2 4.41Å; L383-T405 HydrophobicContact CD2-CG2 3.83Å; L383-T405 VanDerWaalsContact CD2-OG1 3.32Å; L383-T405 WeakPolarHBondContact CD2-OG1 3.49Å
384R98.8Very high98.1Very high30 Ų3021 Ų2111%0.11312%0.121CC..SBendtrans-57.9153.8173-69.4-164.7-171.3-170.92.3111.8Q312 T348 L393 T401 E404Q312-R384 HydrophobicContact CG-CG 4.48Å; T348-R384 HydrophobicContact CG2-CG 4.36Å; T348-R384 PolarHBondContact OG1-NH2 2.67Å; R384-L393 HydrophobicContact CB-CD1 4.36Å; R384-L393 HydrophobicContact CB-CD2 3.78Å; R384-T401 HydrophobicContact CB-CG2 4.33Å; R384-T401 WeakPolarHBondContact CD-OG1 3.46Å; R384-T401 HydrophobicContact CG-CG2 4.24Å; R384-E404 IonicContact CZ-OE1 2.79Å; R384-E404 IonicContact CZ-OE2 3.14Å; R384-E404 IonicContact NE-OE1 3.84Å; R384-E404 PolarHBondContact NE-OE1 2.85Å; R384-E404 IonicContact NE-OE2 2.79Å; R384-E404 IonicContact NH2-OE1 2.79Å; R384-E404 IonicContact NH2-OE2 2.66Å; R384-E404 PolarHBondContact NH2-OE2 2.91Å
385D98.3Very high98.1Very high10 Ų1019.2 Ų19.25%0.05310%0.102CC..  cis-106.1-152.1-6.663.810.8000111.2Y310 S311 G387 T388 Y389 G390 L393Y310-D385 WeakPolarHBondContact CB-O 3.26Å; S311-D385 VanDerWaalsContact CA-O 3.31Å; S311-D385 WeakPolarHBondContact CA-O 3.19Å; S311-D385 PolarHBondContact N-O 2.96Å; D385-G387 VanDerWaalsContact OD1-CA 3.3Å; D385-G387 WeakPolarHBondContact OD1-CA 3.33Å; D385-G387 PolarHBondContact OD1-N 3.43Å; D385-T388 PolarHBondContact OD1-N 3.03Å; D385-T388 WeakPolarHBondContact OD2-CB 3.24Å; D385-T388 PolarHBondContact OD2-N 2.88Å; D385-Y389 WeakPolarHBondContact OD2-CB 3.23Å; D385-Y389 WeakPolarHBondContact OD2-CD2 3.42Å; D385-Y389 PolarHBondContact OD2-N 3.3Å; D385-G390 PolarHBondContact OD1-N 3.23Å; D385-L393 HydrophobicContact CB-CD1 3.81Å
386T96.5Very high98.1Very high64 Ų6424.4 Ų24.439%0.39313%0.13SC..SBendtrans-100.719.1173.858.80000112.8R28 Q312R28-T386 PolarHBondContact NH1-O 3.48Å; R28-T386 PolarHBondContact NH2-O 3.42Å; Q312-T386 HydrophobicContact CB-CG2 4.35Å; Q312-T386 HydrophobicContact CG-CG2 4.19Å
387G94.9Very high98.1Very high4 Ų424.5 Ų24.54%0.04113%0.131CC..SBendtrans99.324.1175.900000115.7Y310 D385Y310-G387 VanDerWaalsContact CE2-CA 3.48Å; D385-G387 VanDerWaalsContact OD1-CA 3.3Å; D385-G387 WeakPolarHBondContact OD1-CA 3.33Å; D385-G387 PolarHBondContact OD1-N 3.43Å
388T96Very high98.1Very high83 Ų8324.4 Ų24.451%0.50913%0.13SC..SBendtrans-71.8-45.5166.4-63.60000109.7D385D385-T388 PolarHBondContact OD1-N 3.03Å; D385-T388 WeakPolarHBondContact OD2-CB 3.24Å; D385-T388 PolarHBondContact OD2-N 2.88Å
389Y97.3Very high98.1Very high78 Ų7827.4 Ų27.431%0.30615%0.146SC..SBendtrans-112.3-24.5173.7-58.7-76.5000111.8L97 D385 F391 L392 L393 P394L97-Y389 HydrophobicContact CD1-CD1 4.36Å; L97-Y389 HydrophobicContact CD2-CD1 4.16Å; L97-Y389 HydrophobicContact CD2-CE1 4.27Å; D385-Y389 WeakPolarHBondContact OD2-CB 3.23Å; D385-Y389 WeakPolarHBondContact OD2-CD2 3.42Å; D385-Y389 PolarHBondContact OD2-N 3.3Å; Y389-F391 PolarHBondContact O-N 3.03Å; Y389-F391 VanDerWaalsContact O-N 3.16Å; Y389-L392 PolarHBondContact O-N 3.47Å; Y389-L393 HydrophobicContact CD2-CD1 4.17Å; Y389-P394 HydrophobicContact CD1-CG 3.89Å; Y389-P394 HydrophobicContact CD2-CG 4.13Å; Y389-P394 HydrophobicContact CE1-CG 3.73Å; Y389-P394 HydrophobicContact CE2-CG 3.98Å; Y389-P394 VanDerWaalsContact CG-CD 3.49Å; Y389-P394 HydrophobicContact CG-CG 4.09Å
390G97.4Very high98.1Very high1 Ų129.3 Ų29.31%0.0116%0.158CC..THydrogen-bonded Turntrans59.5-117.8-178.600000111Y310 D385 L392Y310-G390 VanDerWaalsContact CD1-CA 3.42Å; D385-G390 PolarHBondContact OD1-N 3.23Å; G390-L392 VanDerWaalsContact C-N 3.3Å; G390-L392 PolarHBondContact O-N 3.28Å
391F98.3Very high98.1Very high6 Ų629 Ų293%0.02616%0.156CC..THydrogen-bonded Turntrans-77.3-12.4179.8-54.5-56.4000114.4W54 R183 E184 R236 S309 Y310 Y389W54-F391 HydrophobicContact CB-CE2 3.69Å; W54-F391 HydrophobicContact CB-CZ 4.22Å; W54-F391 AromaticContact CD1-CE2 3.75Å; W54-F391 AromaticContact CD2-CD2 3.56Å; W54-F391 HydrophobicContact CD2-CD2 3.56Å; W54-F391 AromaticContact CD2-CE2 3.54Å; W54-F391 HydrophobicContact CD2-CE2 3.54Å; W54-F391 AromaticContact CE2-CD2 3.72Å; W54-F391 AromaticContact CE2-CE2 3.97Å; W54-F391 AromaticContact CE3-CD2 3.78Å; W54-F391 HydrophobicContact CE3-CD2 3.78Å; W54-F391 HydrophobicContact CE3-CE2 4.03Å; W54-F391 AromaticContact CG-CD2 3.96Å; W54-F391 HydrophobicContact CG-CD2 3.96Å; W54-F391 AromaticContact CG-CE2 3.4Å; W54-F391 HydrophobicContact CG-CE2 3.4Å; W54-F391 VanDerWaalsContact CG-CE2 3.4Å; W54-F391 HydrophobicContact CG-CZ 4.38Å; W54-F391 HydrophobicContact CH2-CD2 4.26Å; W54-F391 HydrophobicContact CZ2-CD2 4.09Å; W54-F391 HydrophobicContact CZ3-CD2 4.12Å; R183-F391 HydrophobicContact CG-CD1 4.11Å; R183-F391 HydrophobicContact CG-CD2 4.23Å; R183-F391 HydrophobicContact CG-CE1 4.34Å; R183-F391 HydrophobicContact CG-CE2 4.45Å; R183-F391 HydrophobicContact CG-CG 4.06Å; R183-F391 VanDerWaalsContact CZ-CE2 3.45Å; E184-F391 HydrophobicContact CG-CD1 4.01Å; E184-F391 HydrophobicContact CG-CE1 3.95Å; R236-F391 PolarHBondContact NH2-O 3.15Å; S309-F391 VanDerWaalsContact O-CE1 3.31Å; S309-F391 WeakPolarHBondContact O-CE1 3.41Å; Y310-F391 AromaticContact CD1-CD1 3.67Å; Y310-F391 HydrophobicContact CD1-CD1 3.67Å; Y310-F391 AromaticContact CD1-CE1 3.51Å; Y310-F391 HydrophobicContact CD1-CE1 3.51Å; Y310-F391 HydrophobicContact CD1-CG 4.23Å; Y310-F391 AromaticContact CD1-CZ 3.95Å; Y310-F391 HydrophobicContact CD1-CZ 3.95Å; Y310-F391 HydrophobicContact CE1-CD1 4.05Å; Y310-F391 HydrophobicContact CE1-CD2 4.25Å; Y310-F391 AromaticContact CE1-CE1 3.72Å; Y310-F391 HydrophobicContact CE1-CE1 3.72Å; Y310-F391 AromaticContact CE1-CE2 3.94Å; Y310-F391 HydrophobicContact CE1-CE2 3.94Å; Y310-F391 HydrophobicContact CE1-CG 4.3Å; Y310-F391 AromaticContact CE1-CZ 3.64Å; Y310-F391 HydrophobicContact CE1-CZ 3.64Å; Y389-F391 PolarHBondContact O-N 3.03Å; Y389-F391 VanDerWaalsContact O-N 3.16Å
392L98.3Very high98.1Very high7 Ų729 Ų294%0.03716%0.156CC..  trans-101.740.2-179-61179.1000111.6L94 L97 L98 R236 Y389 G390L94-L392 HydrophobicContact CD1-CD1 3.4Å; L94-L392 HydrophobicContact CD1-CG 4.49Å; L94-L392 HydrophobicContact CG-CD1 3.94Å; L97-L392 HydrophobicContact CB-CB 4.3Å; L97-L392 HydrophobicContact CB-CD1 3.59Å; L97-L392 HydrophobicContact CD1-CB 4.36Å; L97-L392 HydrophobicContact CD1-CD1 4.15Å; L98-L392 HydrophobicContact CD2-CD1 4.4Å; L98-L392 HydrophobicContact CD2-CD2 3.76Å; L98-L392 HydrophobicContact CG-CD1 4.11Å; L98-L392 HydrophobicContact CG-CD2 4.35Å; R236-L392 HydrophobicContact CG-CD2 3.9Å; Y389-L392 PolarHBondContact O-N 3.47Å; G390-L392 VanDerWaalsContact C-N 3.3Å; G390-L392 PolarHBondContact O-N 3.28Å
393L98.6Very high98.1Very high1 Ų132 Ų321%0.00517%0.17CC..  trans-60.1125.7-178.1-16774.1000110.1Y123 I186 R384 D385 Y389 Q397Y123-L393 VanDerWaalsContact CE2-O 3.27Å; Y123-L393 WeakPolarHBondContact CE2-O 3.23Å; Y123-L393 PolarHBondContact OH-O 3.17Å; I186-L393 HydrophobicContact CB-CD2 4.25Å; I186-L393 HydrophobicContact CD1-CD2 3.87Å; I186-L393 HydrophobicContact CG1-CD2 3.74Å; R384-L393 HydrophobicContact CB-CD1 4.36Å; R384-L393 HydrophobicContact CB-CD2 3.78Å; D385-L393 HydrophobicContact CB-CD1 3.81Å; Y389-L393 HydrophobicContact CD2-CD1 4.17Å; L393-Q397 HydrophobicContact CD1-CB 4.48Å; L393-Q397 HydrophobicContact CD2-CB 3.98Å; L393-Q397 HydrophobicContact CG-CB 4.01Å
394P98.6Very high98.1Very high26 Ų2632 Ų3217%0.16917%0.17CC..  trans-57.2146.1-176-27.234.3000113.3Y389 N396 Q397Y389-P394 HydrophobicContact CD1-CG 3.89Å; Y389-P394 HydrophobicContact CD2-CG 4.13Å; Y389-P394 HydrophobicContact CE1-CG 3.73Å; Y389-P394 HydrophobicContact CE2-CG 3.98Å; Y389-P394 VanDerWaalsContact CG-CD 3.49Å; Y389-P394 HydrophobicContact CG-CG 4.09Å; P394-N396 PolarHBondContact O-N 2.82Å; P394-N396 VanDerWaalsContact O-N 3.14Å; P394-Q397 PolarHBondContact O-N 3.45Å
395A98.4Very high98.1Very high11 Ų1130.6 Ų30.69%0.09117%0.165CC..G310 helixtrans-59.6-32.2-174.900000112.9E104 Q397 I398E104-A395 VanDerWaalsContact OE2-CB 3.24Å; E104-A395 WeakPolarHBondContact OE2-CB 3.44Å; E104-A395 PolarHBondContact OE2-N 2.76Å; A395-Q397 PolarHBondContact O-N 2.93Å; A395-I398 HydrophobicContact CB-CD1 4.07Å; A395-I398 VanDerWaalsContact O-CB 3.3Å; A395-I398 WeakPolarHBondContact O-CB 3.4Å; A395-I398 VanDerWaalsContact O-CG1 3.26Å; A395-I398 WeakPolarHBondContact O-CG1 3.33Å; A395-I398 PolarHBondContact O-N 2.92Å
396N98.4Very high98.2Very high116 Ų11630.5 Ų30.562%0.6216%0.164SC*.G310 helixtrans-62.1-1417666.531.4000114.6P394 P400P394-N396 PolarHBondContact O-N 2.82Å; P394-N396 VanDerWaalsContact O-N 3.14Å; N396-P400 WeakPolarHBondContact O-CD 3.46Å
397Q98.8Very high98.3Very high39 Ų3929.7 Ų29.718%0.18216%0.157CC..G310 helixtrans-93.4-3.5173.9-65.8-151.551.500113.9L393 P394 A395 T401L393-Q397 HydrophobicContact CD1-CB 4.48Å; L393-Q397 HydrophobicContact CD2-CB 3.98Å; L393-Q397 HydrophobicContact CG-CB 4.01Å; P394-Q397 PolarHBondContact O-N 3.45Å; A395-Q397 PolarHBondContact O-N 2.93Å; Q397-T401 VanDerWaalsContact O-CB 3.27Å; Q397-T401 WeakPolarHBondContact O-CB 3.01Å; Q397-T401 PolarHBondContact O-N 2.9Å; Q397-T401 PolarHBondContact O-OG1 3.06Å
398I98.9Very high98.5Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-60.9-55.4-179.9-67.2168.3000111.1Y120 A122 Y123 I186 A189 A395 T401 A402Y120-I398 VanDerWaalsContact O-CG2 3.26Å; Y120-I398 WeakPolarHBondContact O-CG2 3.3Å; A122-I398 WeakPolarHBondContact O-CD1 3.46Å; Y123-I398 HydrophobicContact CD1-CD1 3.74Å; Y123-I398 HydrophobicContact CD2-CD1 4.2Å; Y123-I398 HydrophobicContact CE1-CD1 3.67Å; Y123-I398 HydrophobicContact CE1-CG1 3.96Å; Y123-I398 HydrophobicContact CE2-CD1 4.15Å; Y123-I398 HydrophobicContact CG-CD1 4Å; I186-I398 HydrophobicContact CD1-CB 4.24Å; I186-I398 HydrophobicContact CD1-CG1 3.86Å; A189-I398 HydrophobicContact CB-CD1 4.17Å; A189-I398 HydrophobicContact CB-CG1 4.26Å; A189-I398 HydrophobicContact CB-CG2 3.71Å; A395-I398 HydrophobicContact CB-CD1 4.07Å; A395-I398 VanDerWaalsContact O-CB 3.3Å; A395-I398 WeakPolarHBondContact O-CB 3.4Å; A395-I398 VanDerWaalsContact O-CG1 3.26Å; A395-I398 WeakPolarHBondContact O-CG1 3.33Å; A395-I398 PolarHBondContact O-N 2.92Å; I398-T401 PolarHBondContact O-N 2.94Å; I398-A402 WeakPolarHBondContact O-CB 3.18Å; I398-A402 PolarHBondContact O-N 3.19Å
399I98.9Very high98.6Very high63 Ų6325.6 Ų25.632%0.32313%0.131SC..Hα-helixtrans-63-49-178.5-66.8170.8000111.3T401 A402 E403I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 3.48Å; I399-A402 PolarHBondContact O-N 3.16Å; I399-A402 VanDerWaalsContact O-N 3.1Å; I399-E403 HydrophobicContact CG2-CG 4.01Å; I399-E403 WeakPolarHBondContact O-CB 3.35Å; I399-E403 WeakPolarHBondContact O-CG 3.5Å; I399-E403 PolarHBondContact O-N 3.31Å
400P98.8Very high98.7Very high39 Ų3923.6 Ų23.625%0.25312%0.124SC..Hα-helixtrans-54.5-41.9174.9-28.935000113.9N396 E404N396-P400 WeakPolarHBondContact O-CD 3.46Å; P400-E404 VanDerWaalsContact O-CG 3.3Å; P400-E404 WeakPolarHBondContact O-CG 3.41Å; P400-E404 PolarHBondContact O-N 2.94Å
401T98.9Very high98.7Very high0 Ų024.8 Ų24.80%013%0.131CC..Hα-helixtrans-66.5-41.3177.4-55.80000111.2I186 L383 R384 Q397 I398 I399 E404 T405I186-T401 HydrophobicContact CD1-CG2 4.12Å; I186-T401 HydrophobicContact CG1-CG2 3.78Å; L383-T401 HydrophobicContact CB-CG2 4.13Å; L383-T401 HydrophobicContact CD1-CG2 4.33Å; L383-T401 HydrophobicContact CD2-CG2 4.41Å; R384-T401 HydrophobicContact CB-CG2 4.33Å; R384-T401 WeakPolarHBondContact CD-OG1 3.46Å; R384-T401 HydrophobicContact CG-CG2 4.24Å; Q397-T401 VanDerWaalsContact O-CB 3.27Å; Q397-T401 WeakPolarHBondContact O-CB 3.01Å; Q397-T401 PolarHBondContact O-N 2.9Å; Q397-T401 PolarHBondContact O-OG1 3.06Å; I398-T401 PolarHBondContact O-N 2.94Å; I399-T401 VanDerWaalsContact C-N 3.29Å; I399-T401 PolarHBondContact O-N 3.48Å; T401-E404 WeakPolarHBondContact O-CG 3.49Å; T401-T405 WeakPolarHBondContact O-CB 3.45Å; T401-T405 PolarHBondContact O-N 3.1Å; T401-T405 PolarHBondContact O-OG1 2.92Å
402A98.9Very high98.8Very high0 Ų024.5 Ų24.50%013%0.129CC..Hα-helixtrans-69.3-42.8-179.800000112.2T190 W193 I398 I399 T405 W406T190-A402 HydrophobicContact CG2-CB 4.12Å; W193-A402 HydrophobicContact CB-CB 4.03Å; W193-A402 HydrophobicContact CD2-CB 3.52Å; W193-A402 HydrophobicContact CE3-CB 3.59Å; W193-A402 HydrophobicContact CG-CB 3.71Å; W193-A402 HydrophobicContact CZ3-CB 4.29Å; I398-A402 WeakPolarHBondContact O-CB 3.18Å; I398-A402 PolarHBondContact O-N 3.19Å; I399-A402 PolarHBondContact O-N 3.16Å; I399-A402 VanDerWaalsContact O-N 3.1Å; A402-T405 PolarHBondContact O-N 3.46Å; A402-W406 WeakPolarHBondContact O-CB 3.39Å; A402-W406 PolarHBondContact O-N 3.47Å
403E98.9Very high98.8Very high95 Ų9524.5 Ų24.544%0.44413%0.129SC..Hα-helixtrans-64.2-44.9179.2-74.6-173.2149.400112.8W193 I399 W406W193-E403 HydrophobicContact CH2-CG 4Å; W193-E403 HydrophobicContact CZ2-CG 3.54Å; I399-E403 HydrophobicContact CG2-CG 4.01Å; I399-E403 WeakPolarHBondContact O-CB 3.35Å; I399-E403 WeakPolarHBondContact O-CG 3.5Å; I399-E403 PolarHBondContact O-N 3.31Å; E403-W406 WeakPolarHBondContact O-CB 3.31Å
404E98.8Very high98.8Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-67.6-43.1176.273-173.2-166.600111.2L342 V345 S346 T348 R384 P400 T401 W406 L407 G408L342-E404 WeakPolarHBondContact CA-O 3.28Å; L342-E404 HydrophobicContact CD1-CG 4.44Å; L342-E404 HydrophobicContact CD2-CB 3.97Å; L342-E404 HydrophobicContact CD2-CG 3.79Å; L342-E404 HydrophobicContact CG-CB 3.88Å; L342-E404 HydrophobicContact CG-CG 3.86Å; L342-E404 WeakPolarHBondContact CG-O 3.49Å; V345-E404 HydrophobicContact CB-CB 3.97Å; V345-E404 HydrophobicContact CG1-CB 4.43Å; V345-E404 HydrophobicContact CG2-CB 4.23Å; S346-E404 WeakPolarHBondContact CB-OE2 3.46Å; T348-E404 VanDerWaalsContact CB-OE2 3.29Å; T348-E404 WeakPolarHBondContact CB-OE2 3.49Å; T348-E404 PolarHBondContact OG1-OE1 3.32Å; T348-E404 PolarHBondContact OG1-OE2 3.46Å; R384-E404 IonicContact CZ-OE1 2.79Å; R384-E404 IonicContact CZ-OE2 3.14Å; R384-E404 IonicContact NE-OE1 3.84Å; R384-E404 PolarHBondContact NE-OE1 2.85Å; R384-E404 IonicContact NE-OE2 2.79Å; R384-E404 IonicContact NH2-OE1 2.79Å; R384-E404 IonicContact NH2-OE2 2.66Å; R384-E404 PolarHBondContact NH2-OE2 2.91Å; P400-E404 VanDerWaalsContact O-CG 3.3Å; P400-E404 WeakPolarHBondContact O-CG 3.41Å; P400-E404 PolarHBondContact O-N 2.94Å; T401-E404 WeakPolarHBondContact O-CG 3.49Å; E404-W406 VanDerWaalsContact C-N 3.26Å; E404-W406 PolarHBondContact O-N 2.8Å; E404-L407 PolarHBondContact O-N 3.46Å; E404-G408 PolarHBondContact O-N 2.72Å
405T98.9Very high98.8Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-62.7-36.2179.6-610000111.1T190 F381 L383 T401 A402 L407 G408 L409T190-T405 HydrophobicContact CG2-CG2 4.22Å; F381-T405 HydrophobicContact CD1-CG2 4.45Å; L383-T405 HydrophobicContact CD2-CG2 3.83Å; L383-T405 VanDerWaalsContact CD2-OG1 3.32Å; L383-T405 WeakPolarHBondContact CD2-OG1 3.49Å; T401-T405 WeakPolarHBondContact O-CB 3.45Å; T401-T405 PolarHBondContact O-N 3.1Å; T401-T405 PolarHBondContact O-OG1 2.92Å; A402-T405 PolarHBondContact O-N 3.46Å; T405-L407 VanDerWaalsContact C-N 3.29Å; T405-L407 PolarHBondContact O-N 3.08Å; T405-G408 CarbonylContact O-C 3.57Å; T405-G408 WeakPolarHBondContact O-CA 3.13Å; T405-G408 PolarHBondContact O-N 3.27Å; T405-L409 HydrophobicContact CG2-CD1 4.1Å; T405-L409 HydrophobicContact CG2-CG 4.11Å; T405-L409 WeakPolarHBondContact O-CG 3.5Å; T405-L409 PolarHBondContact O-N 3.02Å
406W98.9Very high98.8Very high8 Ų826.6 Ų26.63%0.0314%0.135CC..Hα-helixtrans-56.4-40176177.9-123.7000113.2W193 T194 K197 I198 I208 A402 E403 E404 G408 L409 K410 M413W193-W406 HydrophobicContact CH2-CB 4.07Å; W193-W406 HydrophobicContact CH2-CG 4.27Å; W193-W406 HydrophobicContact CZ3-CB 3.75Å; W193-W406 HydrophobicContact CZ3-CG 4.06Å; T194-W406 HydrophobicContact CG2-CE3 3.96Å; T194-W406 HydrophobicContact CG2-CZ3 3.89Å; K197-W406 HydrophobicContact CG-CD2 3.94Å; K197-W406 HydrophobicContact CG-CG 4.14Å; K197-W406 HydrophobicContact CG-CZ2 4.15Å; I198-W406 HydrophobicContact CG1-CH2 3.79Å; I198-W406 HydrophobicContact CG1-CZ3 3.99Å; I208-W406 HydrophobicContact CB-CZ2 4.32Å; I208-W406 HydrophobicContact CD1-CH2 3.72Å; I208-W406 HydrophobicContact CD1-CZ2 4.3Å; I208-W406 HydrophobicContact CG1-CH2 3.99Å; I208-W406 HydrophobicContact CG1-CZ2 4.18Å; A402-W406 WeakPolarHBondContact O-CB 3.39Å; A402-W406 PolarHBondContact O-N 3.47Å; E403-W406 WeakPolarHBondContact O-CB 3.31Å; E404-W406 VanDerWaalsContact C-N 3.26Å; E404-W406 PolarHBondContact O-N 2.8Å; W406-G408 VanDerWaalsContact C-N 3.34Å; W406-L409 HydrophobicContact CE3-CB 4.41Å; W406-L409 PolarHBondContact O-N 3.16Å; W406-K410 HydrophobicContact CZ2-CD 4.43Å; W406-K410 VanDerWaalsContact O-CB 3.25Å; W406-K410 WeakPolarHBondContact O-CB 3.45Å; W406-K410 PolarHBondContact O-N 2.86Å; W406-M413 HydrophobicContact CH2-CE 3.77Å; W406-M413 HydrophobicContact CZ3-CE 3.64Å
407L98.8Very high98.8Very high46 Ų4622.3 Ų22.324%0.24111%0.11CC..Hα-helixtrans-67.6-36.6176-65.7-163.6000112.1A341 V345 E404 T405 T411A341-L407 HydrophobicContact CB-CB 4.21Å; V345-L407 HydrophobicContact CG2-CD1 3.35Å; V345-L407 HydrophobicContact CG2-CG 3.92Å; E404-L407 PolarHBondContact O-N 3.46Å; T405-L407 VanDerWaalsContact C-N 3.29Å; T405-L407 PolarHBondContact O-N 3.08Å; L407-T411 WeakPolarHBondContact O-CB 3.45Å; L407-T411 PolarHBondContact O-N 3.17Å; L407-T411 PolarHBondContact O-OG1 3.23Å
408G98.8Very high98.8Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-61.2-50.4171.600000112A338 E404 T405 W406 T411 I412A338-G408 WeakPolarHBondContact CB-O 3.39Å; E404-G408 PolarHBondContact O-N 2.72Å; T405-G408 CarbonylContact O-C 3.57Å; T405-G408 WeakPolarHBondContact O-CA 3.13Å; T405-G408 PolarHBondContact O-N 3.27Å; W406-G408 VanDerWaalsContact C-N 3.34Å; G408-T411 PolarHBondContact O-N 2.87Å; G408-I412 WeakPolarHBondContact O-CG1 3.3Å; G408-I412 PolarHBondContact O-N 3.22Å
409L98.9Very high98.8Very high2 Ų228.2 Ų28.21%0.0114%0.143CC..Hα-helixtrans-58.7-51.6176.7-67.6176000111.2L176 T194 I305 L307 F381 T405 W406 T411 I412 M413L176-L409 HydrophobicContact CD1-CD2 4.03Å; L176-L409 HydrophobicContact CD2-CD1 4.09Å; T194-L409 HydrophobicContact CG2-CD1 4.26Å; I305-L409 HydrophobicContact CD1-CD2 3.78Å; I305-L409 HydrophobicContact CG2-CD2 3.83Å; L307-L409 HydrophobicContact CD2-CD2 4.39Å; F381-L409 HydrophobicContact CE2-CD2 4Å; F381-L409 HydrophobicContact CZ-CD2 4.43Å; T405-L409 HydrophobicContact CG2-CD1 4.1Å; T405-L409 HydrophobicContact CG2-CG 4.11Å; T405-L409 WeakPolarHBondContact O-CG 3.5Å; T405-L409 PolarHBondContact O-N 3.02Å; W406-L409 HydrophobicContact CE3-CB 4.41Å; W406-L409 PolarHBondContact O-N 3.16Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 3.21Å; L409-I412 PolarHBondContact O-N 2.93Å; L409-M413 HydrophobicContact CB-CE 4.49Å; L409-M413 VanDerWaalsContact O-CG 3.29Å; L409-M413 WeakPolarHBondContact O-CG 3.27Å; L409-M413 PolarHBondContact O-N 3.17Å
410K98.8Very high98.5Very high36 Ų3628.8 Ų28.816%0.15715%0.146CC..Hα-helixtrans-55.9-43.8179.7-167.8167.481.5173.90111.5D205 A207 W406 I412 M413 E414D205-K410 IonicContact OD1-NZ 3.33Å; D205-K410 PolarHBondContact OD1-NZ 2.98Å; D205-K410 IonicContact OD2-NZ 2.74Å; A207-K410 HydrophobicContact CB-CD 4Å; A207-K410 HydrophobicContact CB-CG 4.36Å; W406-K410 HydrophobicContact CZ2-CD 4.43Å; W406-K410 VanDerWaalsContact O-CB 3.25Å; W406-K410 WeakPolarHBondContact O-CB 3.45Å; W406-K410 PolarHBondContact O-N 2.86Å; K410-I412 VanDerWaalsContact C-N 3.33Å; K410-I412 PolarHBondContact O-N 3.41Å; K410-M413 PolarHBondContact O-N 3.44Å; K410-E414 HydrophobicContact CG-CG 4.49Å; K410-E414 WeakPolarHBondContact O-CG 3.46Å; K410-E414 PolarHBondContact O-N 2.82Å
411T98.9Very high97.8Very high25 Ų2533.2 Ų33.215%0.15316%0.159CC..Hα-helixtrans-59.1-42176.7-590000112.6R337 A338 A341 L407 G408 L409 H415R337-T411 HydrophobicContact CB-CG2 3.88Å; A338-T411 HydrophobicContact CB-CG2 4.23Å; A341-T411 WeakPolarHBondContact CB-OG1 3.45Å; L407-T411 WeakPolarHBondContact O-CB 3.45Å; L407-T411 PolarHBondContact O-N 3.17Å; L407-T411 PolarHBondContact O-OG1 3.23Å; G408-T411 PolarHBondContact O-N 2.87Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 3.21Å; T411-H415 PolarHBondContact O-N 2.71Å
412I98.9Very high97.7Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-66.2-48.6176.2-65167.6000109.7I305 V334 A338 F379 F381 G408 L409 K410 E414 H415 V416I305-I412 HydrophobicContact CD1-CB 4.46Å; I305-I412 HydrophobicContact CD1-CD1 4.37Å; I305-I412 HydrophobicContact CD1-CG2 4.04Å; V334-I412 HydrophobicContact CG1-CB 4.45Å; V334-I412 HydrophobicContact CG1-CG1 3.98Å; A338-I412 HydrophobicContact CB-CD1 4.21Å; A338-I412 HydrophobicContact CB-CG1 3.9Å; F379-I412 HydrophobicContact CB-CD1 4.47Å; F379-I412 HydrophobicContact CD2-CD1 4.03Å; F379-I412 HydrophobicContact CD2-CG1 4.47Å; F379-I412 HydrophobicContact CD2-CG2 3.85Å; F379-I412 HydrophobicContact CE2-CD1 4.47Å; F379-I412 HydrophobicContact CE2-CG1 4.46Å; F379-I412 HydrophobicContact CE2-CG2 3.77Å; F379-I412 HydrophobicContact CG-CD1 4.19Å; F381-I412 HydrophobicContact CE2-CD1 3.68Å; F381-I412 HydrophobicContact CZ-CD1 3.82Å; G408-I412 WeakPolarHBondContact O-CG1 3.3Å; G408-I412 PolarHBondContact O-N 3.22Å; L409-I412 PolarHBondContact O-N 2.93Å; K410-I412 VanDerWaalsContact C-N 3.33Å; K410-I412 PolarHBondContact O-N 3.41Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.04Å; I412-H415 WeakPolarHBondContact O-CB 3.21Å; I412-H415 PolarHBondContact O-N 3.14Å; I412-H415 VanDerWaalsContact O-N 3.1Å; I412-V416 HydrophobicContact CG2-CG2 4.3Å; I412-V416 VanDerWaalsContact O-CG2 3.27Å; I412-V416 WeakPolarHBondContact O-CG2 3.49Å; I412-V416 PolarHBondContact O-N 3.38Å
413M98.9Very high97.6Very high7 Ų736.7 Ų36.73%0.03418%0.175CC..Hα-helixtrans-62.1-38.3-177.7-63-166.5-71.800112.7I174 I208 I211 I217 W406 L409 K410 V416 R417I174-M413 HydrophobicContact CD1-CB 3.92Å; I174-M413 HydrophobicContact CD1-CG 3.73Å; I174-M413 HydrophobicContact CD1-SD 4.03Å; I208-M413 HydrophobicContact CD1-CE 4Å; I211-M413 HydrophobicContact CD1-CB 3.59Å; I211-M413 HydrophobicContact CD1-CE 4.48Å; I211-M413 HydrophobicContact CG1-CB 4.26Å; I211-M413 HydrophobicContact CG2-CB 4.4Å; I217-M413 HydrophobicContact CD1-SD 3.72Å; I217-M413 HydrophobicContact CG1-SD 4.43Å; W406-M413 HydrophobicContact CH2-CE 3.77Å; W406-M413 HydrophobicContact CZ3-CE 3.64Å; L409-M413 HydrophobicContact CB-CE 4.49Å; L409-M413 VanDerWaalsContact O-CG 3.29Å; L409-M413 WeakPolarHBondContact O-CG 3.27Å; L409-M413 PolarHBondContact O-N 3.17Å; K410-M413 PolarHBondContact O-N 3.44Å; M413-V416 PolarHBondContact O-N 3.2Å; M413-R417 WeakPolarHBondContact O-CB 3.3Å; M413-R417 PolarHBondContact O-N 3.46Å
414E98.8Very high97.6Very high59 Ų5933.4 Ų33.428%0.27616%0.16SC..Hα-helixtrans-63-42.7173-72.2-173.4111.900111.6A207 I211 K410 I412 V416 R417 D418A207-E414 HydrophobicContact CB-CG 4.29Å; A207-E414 VanDerWaalsContact CB-OE1 3.27Å; A207-E414 WeakPolarHBondContact CB-OE1 3.45Å; I211-E414 HydrophobicContact CD1-CG 3.89Å; K410-E414 HydrophobicContact CG-CG 4.49Å; K410-E414 WeakPolarHBondContact O-CG 3.46Å; K410-E414 PolarHBondContact O-N 2.82Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.04Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 3.31Å; E414-R417 WeakPolarHBondContact O-CB 3.33Å; E414-R417 PolarHBondContact O-N 2.7Å; E414-R417 IonicContact OE1-NH1 3.97Å; E414-R417 IonicContact OE1-NH2 3.14Å; E414-D418 WeakPolarHBondContact O-CB 3.34Å; E414-D418 VanDerWaalsContact O-CG 3.22Å; E414-D418 PolarHBondContact O-N 3.21Å
415H98.8Very high97.5Very high23 Ų2335.4 Ų35.411%0.10617%0.17CC..Hα-helixtrans-62.3-41.3175.9-172.487.4000111.7E330 V334 R337 F377 T411 I412 D418 N419E330-H415 IonicContact OE1-CD2 3.75Å; E330-H415 IonicContact OE1-CE1 3.74Å; E330-H415 IonicContact OE1-NE2 3.51Å; E330-H415 PolarHBondContact OE1-NE2 3.31Å; V334-H415 HydrophobicContact CG1-CB 4.3Å; V334-H415 HydrophobicContact CG2-CB 4.2Å; V334-H415 VanDerWaalsContact CG2-CD2 3.41Å; V334-H415 WeakPolarHBondContact CG2-CD2 3.37Å; V334-H415 VanDerWaalsContact CG2-CG 3.46Å; R337-H415 PolarHBondContact NH2-ND1 3.49Å; F377-H415 AromaticContact CE1-CD2 3.41Å; F377-H415 VanDerWaalsContact CE1-CD2 3.41Å; F377-H415 WeakPolarHBondContact CE1-CD2 3.5Å; F377-H415 AromaticContact CE1-NE2 3.59Å; F377-H415 AromaticContact CZ-CD2 3.49Å; F377-H415 VanDerWaalsContact CZ-CD2 3.49Å; F377-H415 WeakPolarHBondContact CZ-CD2 3.45Å; F377-H415 AromaticContact CZ-NE2 3.65Å; T411-H415 PolarHBondContact O-N 2.71Å; I412-H415 WeakPolarHBondContact O-CB 3.21Å; I412-H415 PolarHBondContact O-N 3.14Å; I412-H415 VanDerWaalsContact O-N 3.1Å; H415-D418 PolarHBondContact O-N 2.86Å; H415-N419 PolarHBondContact CE1-ND2 3.15Å; H415-N419 PolarHBondContact NE2-ND2 3.42Å; H415-N419 WeakPolarHBondContact O-CB 3.24Å; H415-N419 PolarHBondContact O-N 2.82Å; H415-N419 VanDerWaalsContact O-N 3.11Å; H415-N419 PolarHBondContact O-ND2 3.33Å
416V98.7Very high97.4Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-62.5-46.7176.4-179.70000110.6I174 M215 K302 C303 F377 I412 M413 E414 D418 N419 L420I174-V416 HydrophobicContact CG1-CG1 4.41Å; M215-V416 HydrophobicContact SD-CB 4.39Å; M215-V416 HydrophobicContact SD-CG1 3.76Å; K302-V416 HydrophobicContact CB-CG1 3.74Å; C303-V416 HydrophobicContact CB-CG1 4.19Å; C303-V416 HydrophobicContact CB-CG2 3.7Å; F377-V416 HydrophobicContact CB-CG2 4Å; F377-V416 HydrophobicContact CD2-CB 4.2Å; F377-V416 HydrophobicContact CD2-CG1 4.14Å; F377-V416 HydrophobicContact CD2-CG2 3.59Å; F377-V416 HydrophobicContact CE2-CB 4.49Å; F377-V416 HydrophobicContact CE2-CG2 4.23Å; F377-V416 HydrophobicContact CG-CG2 3.88Å; I412-V416 HydrophobicContact CG2-CG2 4.3Å; I412-V416 VanDerWaalsContact O-CG2 3.27Å; I412-V416 WeakPolarHBondContact O-CG2 3.49Å; I412-V416 PolarHBondContact O-N 3.38Å; M413-V416 PolarHBondContact O-N 3.2Å; E414-V416 VanDerWaalsContact C-N 3.32Å; E414-V416 PolarHBondContact O-N 3.31Å; V416-D418 PolarHBondContact O-N 2.84Å; V416-N419 CarbonylContact O-C 3.55Å; V416-N419 PolarHBondContact O-N 3.17Å; V416-N419 VanDerWaalsContact O-N 3.16Å; V416-L420 PolarHBondContact O-N 2.85Å
417R98.6Very high97.3Very high27 Ų2739.6 Ų39.610%0.10219%0.19CC..Hα-helixtrans-54.6-41.1177.4-175.9-163.563.5-149.3-10.8112.1S210 I211 K214 M215 M413 E414S210-R417 WeakPolarHBondContact OG-CD 3.33Å; I211-R417 HydrophobicContact CG1-CB 4.41Å; K214-R417 HydrophobicContact CB-CG 4.28Å; K214-R417 HydrophobicContact CD-CG 3.57Å; K214-R417 HydrophobicContact CG-CG 4.49Å; M215-R417 HydrophobicContact CE-CB 3.51Å; M215-R417 HydrophobicContact CE-CG 4.18Å; M215-R417 HydrophobicContact SD-CB 4.4Å; M413-R417 WeakPolarHBondContact O-CB 3.3Å; M413-R417 PolarHBondContact O-N 3.46Å; E414-R417 WeakPolarHBondContact O-CB 3.33Å; E414-R417 PolarHBondContact O-N 2.7Å; E414-R417 IonicContact OE1-NH1 3.97Å; E414-R417 IonicContact OE1-NH2 3.14Å
418D98.6Very high97.2Very high94 Ų9439.1 Ų39.150%0.50319%0.187SC..Hα-helixtrans-86-10.6-174.4-62.1-18.8000112.7E414 H415 V416E414-D418 WeakPolarHBondContact O-CB 3.34Å; E414-D418 VanDerWaalsContact O-CG 3.22Å; E414-D418 PolarHBondContact O-N 3.21Å; H415-D418 PolarHBondContact O-N 2.86Å; V416-D418 PolarHBondContact O-N 2.84Å
419N98Very high97.1Very high68 Ų6842.2 Ų42.236%0.36420%0.201SC..SBendtrans-132.853.2-177.9-59.5-90.4000111.1F377 H415 V416 Y421F377-N419 HydrophobicContact CZ-CB 4.21Å; H415-N419 PolarHBondContact CE1-ND2 3.15Å; H415-N419 PolarHBondContact NE2-ND2 3.42Å; H415-N419 WeakPolarHBondContact O-CB 3.24Å; H415-N419 PolarHBondContact O-N 2.82Å; H415-N419 VanDerWaalsContact O-N 3.11Å; H415-N419 PolarHBondContact O-ND2 3.33Å; V416-N419 CarbonylContact O-C 3.55Å; V416-N419 PolarHBondContact O-N 3.17Å; V416-N419 VanDerWaalsContact O-N 3.16Å; N419-Y421 WeakPolarHBondContact O-CD1 3.41Å
420L93.8Very high96.9Very high75 Ų7545.5 Ų45.539%0.39322%0.217SC..  trans-71.5127.6174-67.6174.1000110.4P172 M215 K302 V416P172-L420 HydrophobicContact CB-CD2 3.87Å; P172-L420 HydrophobicContact CG-CD2 4.34Å; M215-L420 HydrophobicContact CG-CD2 4.24Å; M215-L420 HydrophobicContact SD-CD2 3.79Å; K302-L420 HydrophobicContact CG-CD2 4.15Å; V416-L420 PolarHBondContact O-N 2.85Å
421Y82.3Confident96.7Very high132 Ų13246.4 Ų46.452%0.51822%0.223SC..  trans-127.30175.958.3-88.9000111.2K302 K376 F377 N419K302-Y421 HydrophobicContact CD-CE2 4.46Å; K302-Y421 WeakPolarHBondContact CD-O 3.34Å; K302-Y421 WeakPolarHBondContact CE-O 3.34Å; K302-Y421 PolarHBondContact NZ-O 3.18Å; K302-Y421 PolarHBondContact O-OH 2.85Å; K376-Y421 HydrophobicContact CB-CE1 3.73Å; K376-Y421 HydrophobicContact CB-CE2 4.19Å; K376-Y421 WeakPolarHBondContact CB-OH 3.38Å; K376-Y421 HydrophobicContact CD-CD1 4.42Å; K376-Y421 HydrophobicContact CD-CE1 3.94Å; K376-Y421 HydrophobicContact CG-CE1 4.42Å; K376-Y421 PolarHBondContact N-OH 2.5Å; F377-Y421 HydrophobicContact CD2-CE1 4.09Å; F377-Y421 HydrophobicContact CE2-CD1 4.41Å; F377-Y421 AromaticContact CE2-CE1 3.71Å; F377-Y421 HydrophobicContact CE2-CE1 3.71Å; F377-Y421 HydrophobicContact CZ-CE1 4.48Å; N419-Y421 WeakPolarHBondContact O-CD1 3.41Å

Retrieved 421 of 421 residues in 1147.2 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).