A0A077S9N6_RAT Loading...

Lysozyme d1

AlphaFold DB (D4A0W0), UniProt , Accession A0A077S9N6, Species RAT (Rattus norvegicus, Rat), Gene Lyzl1, Length 148 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.2Very low60.4Low249 Ų249147.6 Ų147.6100%1.22783%0.827SS**  0126.50-67169.8-138.700107.7
2K44.1Very low60.7Low208 Ų208143.8 Ų143.890%0.90482%0.817SS**  trans-87.6117.3-177.6-64.4-118.1-179.6-178.80108.6
3A59.8Low60.5Low103 Ų103144.7 Ų144.785%0.85182%0.817SS**  trans-102.497.3166.400000107.4G5A3-G5 PolarHBondContact O-N 3.16Å
4V59.2Low60.5Low123 Ų123138.6 Ų138.675%0.74580%0.803SS**  trans-78.4101.1170.91770000106.2V6V4-V6 PolarHBondContact O-N 3.21Å
5G62.9Low60.7Low63 Ų63140 Ų14065%0.64980%0.804SS**  trans-69.5107.1174.500000109.7A3 F7A3-G5 PolarHBondContact O-N 3.16Å; G5-F7 PolarHBondContact O-N 3.26Å
6V63.3Low60.7Low129 Ų129139.3 Ų139.378%0.78280%0.802SS**  trans-76.799.5171.5179.50000107.4V4 A8V4-V6 PolarHBondContact O-N 3.21Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 3.34Å
7F63.6Low60.9Low198 Ų198134.6 Ų134.687%0.86878%0.784SS**  trans-68.795.8165.8-86.3-85.5000108.1G5 L9G5-F7 PolarHBondContact O-N 3.26Å; F7-L9 PolarHBondContact O-N 3.02Å
8A66.2Low61.3Low82 Ų82135.7 Ų135.768%0.67878%0.78SS**  trans-68.396167.800000108.4V6 I10V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 3.34Å; A8-I10 VanDerWaalsContact C-N 3.33Å; A8-I10 PolarHBondContact O-N 3.21Å
9L61.7Low61.8Low157 Ų157132.6 Ų132.682%0.82277%0.768SS**  trans-65.396165-93.1147.2000107.6F7 M11F7-L9 PolarHBondContact O-N 3.02Å; L9-M11 VanDerWaalsContact C-N 3.27Å; L9-M11 PolarHBondContact O-N 3.27Å
10I68.1Low63.2Low152 Ų152128.8 Ų128.878%0.77974%0.741SS**  trans-67.393.3167.7-61.1169.2000106A8 S12A8-I10 VanDerWaalsContact C-N 3.33Å; A8-I10 PolarHBondContact O-N 3.21Å; I10-S12 PolarHBondContact O-N 2.96Å
11M68.3Low64.8Low160 Ų160127.2 Ų127.279%0.78873%0.734SS**  trans-67.290.4164.4-85.2-176.6-82.500107L9 L13L9-M11 VanDerWaalsContact C-N 3.27Å; L9-M11 PolarHBondContact O-N 3.27Å; M11-L13 VanDerWaalsContact C-N 3.34Å; M11-L13 PolarHBondContact O-N 2.75Å
12S63.7Low67.2Low102 Ų102116.3 Ų116.371%0.71368%0.679SS**  trans-65.1101.916352.10000106.6I10 G14I10-S12 PolarHBondContact O-N 2.96Å; S12-G14 PolarHBondContact O-N 2.82Å
13L58.4Low69.7Low155 Ų155110.9 Ų110.981%0.81266%0.664SS**  trans-60.489.8157.7-91.681.3000106.1M11 I15M11-L13 VanDerWaalsContact C-N 3.34Å; M11-L13 PolarHBondContact O-N 2.75Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 2.88Å
14G60.7Low71.5Confident60 Ų60109.9 Ų109.962%0.61964%0.638SS**  trans-62.9104.7161.200000105.5S12 V16S12-G14 PolarHBondContact O-N 2.82Å; G14-V16 PolarHBondContact O-N 2.71Å
15I62.9Low73.4Confident159 Ų159105.7 Ų105.782%0.81561%0.614SS**  trans-62.197.3162.9-60.1172.9000103.9L13 A17L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 2.88Å; I15-A17 PolarHBondContact O-N 2.94Å
16V60.9Low75Confident128 Ų128107.7 Ų107.778%0.77661%0.605SS**  trans-63.8106.5168.6179.80000104.2G14 E18G14-V16 PolarHBondContact O-N 2.71Å; V16-E18 PolarHBondContact O-N 3.2Å
17A64.5Low76.6Confident60 Ų60101.6 Ų101.650%0.49657%0.567SS.*  trans-61.7107.1169.100000106.4I15 T103I15-A17 PolarHBondContact O-N 2.94Å; A17-T103 HydrophobicContact CB-CG2 4.45Å
18E68.1Low78.3Confident154 Ų15492.1 Ų92.172%0.7253%0.526SS*.  trans-69132.8177.1-161.9174.7-179.700108.4V16 D104V16-E18 PolarHBondContact O-N 3.2Å; E18-D104 VanDerWaalsContact O-OD1 3.07Å
19S71.8Confident79.8Confident77 Ų7793.3 Ų93.354%0.53852%0.516SS..  trans-77.8143.2174.861.50000110.6S60S19-S60 VanDerWaalsContact CA-OG 3.26Å; S19-S60 WeakPolarHBondContact CA-OG 3.34Å; S19-S60 WeakPolarHBondContact CB-OG 3.46Å
20K88.3Confident81.5Confident56 Ų5688 Ų8824%0.24349%0.489CS..  trans-140.7137.2-177.7-175.5170.4-178.7177.70113.5Y22 K26 T59 D104K20-Y22 HydrophobicContact CD-CD2 4.35Å; K20-Y22 HydrophobicContact CD-CE2 3.95Å; K20-Y22 HydrophobicContact CG-CD2 4.21Å; K20-Y22 HydrophobicContact CG-CE2 4.26Å; K20-K26 VanDerWaalsContact CE-NZ 3.34Å; K20-T59 PolarHBondContact N-OG1 2.86Å; K20-T59 PolarHBondContact O-N 3.42Å; K20-T59 PolarHBondContact O-OG1 3.46Å; K20-T59 VanDerWaalsContact O-OG1 3.08Å; K20-D104 WeakPolarHBondContact CB-OD1 3.38Å; K20-D104 WeakPolarHBondContact CD-OD1 3.39Å; K20-D104 WeakPolarHBondContact CD-OD2 3.36Å; K20-D104 IonicContact NZ-OD2 2.94Å; K20-D104 PolarHBondContact NZ-OD2 3.36Å
21V96.6Very high83Confident97 Ų9780.7 Ų80.759%0.58845%0.452SS*.BIsolated β-bridgetrans-93.5112.9164.9-1750000107.9Y57 N58V21-Y57 WeakPolarHBondContact CA-O 3.23Å; V21-N58 HydrophobicContact CG2-CB 4.14Å
22Y97.5Very high84.4Confident19 Ų1975.7 Ų75.78%0.07543%0.43CS..  trans-72.3139.8176-85.4-102.2000110.7K20 K26 L27 V30 Y57 T59 D104 L106K20-Y22 HydrophobicContact CD-CD2 4.35Å; K20-Y22 HydrophobicContact CD-CE2 3.95Å; K20-Y22 HydrophobicContact CG-CD2 4.21Å; K20-Y22 HydrophobicContact CG-CE2 4.26Å; Y22-K26 HydrophobicContact CD1-CB 4.2Å; Y22-K26 HydrophobicContact CD1-CD 4Å; Y22-K26 HydrophobicContact CD1-CG 3.81Å; Y22-K26 HydrophobicContact CE1-CD 4.16Å; Y22-K26 HydrophobicContact CE1-CG 4.03Å; Y22-L27 HydrophobicContact CD1-CB 4.32Å; Y22-L27 HydrophobicContact CD1-CD1 4.11Å; Y22-L27 HydrophobicContact CG-CB 4.47Å; Y22-L27 HydrophobicContact CG-CD1 4.04Å; Y22-V30 HydrophobicContact CE1-CG2 4.01Å; Y22-Y57 PolarHBondContact N-O 2.89Å; Y22-Y57 VanDerWaalsContact O-CB 3.28Å; Y22-Y57 WeakPolarHBondContact O-CB 3.37Å; Y22-Y57 WeakPolarHBondContact O-CD2 3.41Å; Y22-T59 HydrophobicContact CD2-CG2 3.67Å; Y22-T59 HydrophobicContact CE2-CG2 3.52Å; Y22-D104 PolarHBondContact OH-O 2.95Å; Y22-L106 HydrophobicContact CE2-CD1 4.12Å; Y22-L106 HydrophobicContact CE2-CG 4.36Å
23T97.2Very high86Confident94 Ų9480 Ų8058%0.57744%0.437SS*.  trans-73.3148.8162.466.70000109.6C25 K26 L27T23-C25 VanDerWaalsContact C-N 3.31Å; T23-C25 PolarHBondContact O-N 3.24Å; T23-K26 PolarHBondContact O-N 3.08Å; T23-K26 VanDerWaalsContact O-N 3.09Å; T23-K26 VanDerWaalsContact OG1-CB 3.29Å; T23-K26 WeakPolarHBondContact OG1-CB 3.17Å; T23-K26 PolarHBondContact OG1-N 3.23Å; T23-L27 PolarHBondContact O-N 2.99Å
24R97.7Very high87.9Confident82 Ų8274.4 Ų74.431%0.30941%0.412SS..Hα-helixtrans-46-51.2-179.6-176.9177.565.6103-0.7113L27 A28 Y57 D140 W141 R143R24-L27 PolarHBondContact O-N 2.93Å; R24-A28 WeakPolarHBondContact O-CB 3.4Å; R24-A28 PolarHBondContact O-N 3.45Å; R24-Y57 HydrophobicContact CB-CE2 4.02Å; R24-Y57 HydrophobicContact CG-CE2 4.48Å; R24-D140 PolarHBondContact NH1-O 2.92Å; R24-D140 VanDerWaalsContact NH1-O 3.11Å; R24-W141 VanDerWaalsContact CD-O 3.28Å; R24-W141 WeakPolarHBondContact CD-O 3.21Å; R24-W141 PolarHBondContact NH1-O 2.97Å; R24-R143 PolarHBondContact NH1-O 3.46Å; R24-R143 PolarHBondContact NH2-O 2.78Å
25C98.2Very high89.7Confident35 Ų3573.3 Ų73.324%0.23640%0.401CS..Hα-helixtrans-76.1-29.1-176.1-610000114T23 L27 A28 K29 C145T23-C25 VanDerWaalsContact C-N 3.31Å; T23-C25 PolarHBondContact O-N 3.24Å; C25-L27 VanDerWaalsContact C-N 3.34Å; C25-A28 PolarHBondContact O-N 2.83Å; C25-K29 WeakPolarHBondContact O-CG 3.2Å; C25-K29 PolarHBondContact O-N 2.77Å; C25-C145 WeakPolarHBondContact CA-SG 2.97Å; C25-C145 HydrophobicContact CB-CB 3.49Å; C25-C145 VanDerWaalsContact CB-CB 3.49Å; C25-C145 WeakPolarHBondContact CB-SG 3.26Å; C25-C145 WeakPolarHBondContact SG-CA 3.3Å; C25-C145 WeakPolarHBondContact SG-CB 3.45Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.25Å
26K97Very high91.4Very high106 Ų10665.8 Ų65.846%0.46136%0.362SS..Hα-helixtrans-65.6-42.9171-172.7175.7-178.1165.30110.3K20 Y22 T23 K29 V30K20-K26 VanDerWaalsContact CE-NZ 3.34Å; Y22-K26 HydrophobicContact CD1-CB 4.2Å; Y22-K26 HydrophobicContact CD1-CD 4Å; Y22-K26 HydrophobicContact CD1-CG 3.81Å; Y22-K26 HydrophobicContact CE1-CD 4.16Å; Y22-K26 HydrophobicContact CE1-CG 4.03Å; T23-K26 PolarHBondContact O-N 3.08Å; T23-K26 VanDerWaalsContact O-N 3.09Å; T23-K26 VanDerWaalsContact OG1-CB 3.29Å; T23-K26 WeakPolarHBondContact OG1-CB 3.17Å; T23-K26 PolarHBondContact OG1-N 3.23Å; K26-K29 PolarHBondContact O-N 3.04Å; K26-V30 WeakPolarHBondContact O-CG2 3.36Å; K26-V30 PolarHBondContact O-N 2.81Å
27L98Very high93.1Very high0 Ų061.5 Ų61.50%034%0.335CS..Hα-helixtrans-65.1-41.6176.7-16761.4000112Y22 T23 R24 C25 K29 V30 F31 L48 A51 Y57 I74 L106Y22-L27 HydrophobicContact CD1-CB 4.32Å; Y22-L27 HydrophobicContact CD1-CD1 4.11Å; Y22-L27 HydrophobicContact CG-CB 4.47Å; Y22-L27 HydrophobicContact CG-CD1 4.04Å; T23-L27 PolarHBondContact O-N 2.99Å; R24-L27 PolarHBondContact O-N 2.93Å; C25-L27 VanDerWaalsContact C-N 3.34Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 2.87Å; L27-V30 WeakPolarHBondContact O-CB 3.33Å; L27-V30 PolarHBondContact O-N 3.11Å; L27-V30 VanDerWaalsContact O-N 3.07Å; L27-F31 HydrophobicContact CD1-CD1 3.97Å; L27-F31 HydrophobicContact CD1-CE1 3.39Å; L27-F31 HydrophobicContact CD1-CE2 4.36Å; L27-F31 HydrophobicContact CD1-CZ 3.62Å; L27-F31 HydrophobicContact CD2-CE1 4.29Å; L27-F31 HydrophobicContact CD2-CE2 3.84Å; L27-F31 HydrophobicContact CD2-CZ 3.63Å; L27-F31 HydrophobicContact CG-CD1 4.14Å; L27-F31 HydrophobicContact CG-CD2 4.2Å; L27-F31 HydrophobicContact CG-CE1 3.73Å; L27-F31 HydrophobicContact CG-CE2 3.79Å; L27-F31 HydrophobicContact CG-CG 4.38Å; L27-F31 HydrophobicContact CG-CZ 3.53Å; L27-F31 WeakPolarHBondContact O-CG 3.5Å; L27-F31 PolarHBondContact O-N 3.18Å; L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 4.02Å; L27-L48 HydrophobicContact CG-CD2 4.03Å; L27-A51 HydrophobicContact CD2-CB 4.09Å; L27-Y57 HydrophobicContact CD2-CD1 3.21Å; L27-Y57 HydrophobicContact CD2-CE1 3.41Å; L27-Y57 VanDerWaalsContact CD2-CE1 3.41Å; L27-Y57 HydrophobicContact CD2-CG 3.89Å; L27-I74 HydrophobicContact CD1-CD1 3.71Å; L27-I74 HydrophobicContact CD2-CD1 3.84Å; L27-I74 HydrophobicContact CG-CD1 4.46Å; L27-L106 HydrophobicContact CD1-CD1 3.58Å
28A98.5Very high94.7Very high0 Ų064 Ų640%034%0.34CS..Hα-helixtrans-54.4-45.9176.800000111.7R24 C25 V30 F31 V32 L44 L48 C145 V147R24-A28 WeakPolarHBondContact O-CB 3.4Å; R24-A28 PolarHBondContact O-N 3.45Å; C25-A28 PolarHBondContact O-N 2.83Å; A28-V30 PolarHBondContact O-N 2.92Å; A28-F31 PolarHBondContact O-N 3.21Å; A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 3.15Å; A28-L44 HydrophobicContact CB-CD2 4.31Å; A28-L48 HydrophobicContact CB-CD1 3.85Å; A28-L48 HydrophobicContact CB-CD2 4.22Å; A28-C145 HydrophobicContact CB-CB 4.16Å; A28-V147 HydrophobicContact CB-CG1 4.27Å; A28-V147 HydrophobicContact CB-CG2 4.36Å
29K98.2Very high96.1Very high107 Ų10759.8 Ų59.847%0.46532%0.318SS..Hα-helixtrans-63.6-39.4177.1-69.8-179.5178.9-168.90112.5C25 K26 L27 K33 C145 V147C25-K29 WeakPolarHBondContact O-CG 3.2Å; C25-K29 PolarHBondContact O-N 2.77Å; K26-K29 PolarHBondContact O-N 3.04Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 2.87Å; K29-K33 WeakPolarHBondContact O-CB 3.42Å; K29-K33 PolarHBondContact O-N 3.28Å; K29-C145 VanDerWaalsContact CE-O 3.31Å; K29-C145 WeakPolarHBondContact CE-O 3.49Å; K29-V147 HydrophobicContact CG-CG1 3.64Å
30V97.7Very high97.3Very high44 Ų4458.6 Ų58.627%0.26732%0.318SS..Hα-helixtrans-63.3-46.9174.5174.70000110.7Y22 K26 L27 A28 K33 A34 L106 I110Y22-V30 HydrophobicContact CE1-CG2 4.01Å; K26-V30 WeakPolarHBondContact O-CG2 3.36Å; K26-V30 PolarHBondContact O-N 2.81Å; L27-V30 WeakPolarHBondContact O-CB 3.33Å; L27-V30 PolarHBondContact O-N 3.11Å; L27-V30 VanDerWaalsContact O-N 3.07Å; A28-V30 PolarHBondContact O-N 2.92Å; V30-K33 PolarHBondContact O-N 3.37Å; V30-A34 WeakPolarHBondContact O-CB 3.36Å; V30-A34 PolarHBondContact O-N 2.96Å; V30-L106 HydrophobicContact CG1-CD1 4.26Å; V30-I110 HydrophobicContact CG1-CD1 4.14Å
31F98.4Very high97.8Very high0 Ų059.2 Ų59.20%034%0.341CS..Hα-helixtrans-64.9-40.6-178.5-74.31.9000112.8L27 A28 A34 G35 L36 L44 W47 L48 A51 F75 L106 I110L27-F31 HydrophobicContact CD1-CD1 3.97Å; L27-F31 HydrophobicContact CD1-CE1 3.39Å; L27-F31 HydrophobicContact CD1-CE2 4.36Å; L27-F31 HydrophobicContact CD1-CZ 3.62Å; L27-F31 HydrophobicContact CD2-CE1 4.29Å; L27-F31 HydrophobicContact CD2-CE2 3.84Å; L27-F31 HydrophobicContact CD2-CZ 3.63Å; L27-F31 HydrophobicContact CG-CD1 4.14Å; L27-F31 HydrophobicContact CG-CD2 4.2Å; L27-F31 HydrophobicContact CG-CE1 3.73Å; L27-F31 HydrophobicContact CG-CE2 3.79Å; L27-F31 HydrophobicContact CG-CG 4.38Å; L27-F31 HydrophobicContact CG-CZ 3.53Å; L27-F31 WeakPolarHBondContact O-CG 3.5Å; L27-F31 PolarHBondContact O-N 3.18Å; A28-F31 PolarHBondContact O-N 3.21Å; F31-A34 PolarHBondContact O-N 3.13Å; F31-G35 PolarHBondContact O-N 3.13Å; F31-L36 HydrophobicContact CB-CB 4.17Å; F31-L36 HydrophobicContact CB-CD1 3.96Å; F31-L36 HydrophobicContact CD1-CD1 3.59Å; F31-L36 HydrophobicContact CD2-CD1 4.17Å; F31-L36 HydrophobicContact CE1-CD1 4.05Å; F31-L36 HydrophobicContact CG-CD1 3.65Å; F31-L36 WeakPolarHBondContact O-CB 3.4Å; F31-L36 PolarHBondContact O-N 3.36Å; F31-L44 HydrophobicContact CB-CD1 3.51Å; F31-L44 HydrophobicContact CD2-CD1 4.31Å; F31-L44 HydrophobicContact CG-CD1 4.45Å; F31-W47 HydrophobicContact CD2-CB 3.7Å; F31-W47 HydrophobicContact CE2-CB 3.87Å; F31-L48 HydrophobicContact CD2-CD2 3.99Å; F31-L48 HydrophobicContact CD2-CG 4.29Å; F31-L48 HydrophobicContact CE2-CD2 4.12Å; F31-A51 HydrophobicContact CE2-CB 4.28Å; F31-A51 HydrophobicContact CZ-CB 4.14Å; F31-F75 HydrophobicContact CE1-CE1 4.13Å; F31-F75 AromaticContact CE1-CZ 3.66Å; F31-F75 HydrophobicContact CE1-CZ 3.66Å; F31-F75 HydrophobicContact CE2-CE1 4.35Å; F31-F75 AromaticContact CZ-CE1 3.55Å; F31-F75 HydrophobicContact CZ-CE1 3.55Å; F31-F75 AromaticContact CZ-CZ 3.59Å; F31-F75 HydrophobicContact CZ-CZ 3.59Å; F31-L106 HydrophobicContact CE1-CD1 4.32Å; F31-I110 HydrophobicContact CD1-CD1 4.28Å; F31-I110 HydrophobicContact CE1-CD1 4.43Å
32V98.2Very high97.8Very high54 Ų5456.3 Ų56.333%0.32732%0.32SS..Hα-helixtrans-61.8-49.3172.7170.70000110.7A28 A34 G35 L44 V147A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 3.15Å; V32-A34 PolarHBondContact O-N 2.94Å; V32-G35 PolarHBondContact O-N 3.28Å; V32-L44 HydrophobicContact CG2-CD1 4.01Å; V32-L44 HydrophobicContact CG2-CD2 3.54Å; V32-L44 HydrophobicContact CG2-CG 4.37Å; V32-V147 HydrophobicContact CG2-CB 4.17Å; V32-V147 HydrophobicContact CG2-CG1 4.35Å
33K98Very high97.8Very high194 Ų19457.8 Ų57.884%0.84333%0.331SS*.Hα-helixtrans-60.1-33.8178.8-174.5178.2178.4-176.40112.4K29 V30 G35K29-K33 WeakPolarHBondContact O-CB 3.42Å; K29-K33 PolarHBondContact O-N 3.28Å; V30-K33 PolarHBondContact O-N 3.37Å; K33-G35 VanDerWaalsContact C-N 3.26Å; K33-G35 PolarHBondContact O-N 3.46Å
34A98Very high97.9Very high37 Ų3753.3 Ų53.331%0.30630%0.304SS..THydrogen-bonded Turntrans-82.30.6177.300000113.8V30 F31 V32 I110 K114V30-A34 WeakPolarHBondContact O-CB 3.36Å; V30-A34 PolarHBondContact O-N 2.96Å; F31-A34 PolarHBondContact O-N 3.13Å; V32-A34 PolarHBondContact O-N 2.94Å; A34-I110 HydrophobicContact CB-CD1 3.75Å; A34-I110 HydrophobicContact CB-CG2 4Å; A34-K114 PolarHBondContact O-NZ 2.94Å
35G97.9Very high97.9Very high37 Ų3749.5 Ų49.538%0.38129%0.29SS..THydrogen-bonded Turntrans65.544179.400000112.8F31 V32 K33 K114F31-G35 PolarHBondContact O-N 3.13Å; V32-G35 PolarHBondContact O-N 3.28Å; K33-G35 VanDerWaalsContact C-N 3.26Å; K33-G35 PolarHBondContact O-N 3.46Å; G35-K114 WeakPolarHBondContact O-CE 3.43Å; G35-K114 PolarHBondContact O-NZ 3.01Å
36L98.5Very high97.9Very high0 Ų048.9 Ų48.90%028%0.284CS..  trans-88.8-25.5171.5-74.3175.6000112.8F31 N38 Y39 W47 I110 K114F31-L36 HydrophobicContact CB-CB 4.17Å; F31-L36 HydrophobicContact CB-CD1 3.96Å; F31-L36 HydrophobicContact CD1-CD1 3.59Å; F31-L36 HydrophobicContact CD2-CD1 4.17Å; F31-L36 HydrophobicContact CE1-CD1 4.05Å; F31-L36 HydrophobicContact CG-CD1 3.65Å; F31-L36 WeakPolarHBondContact O-CB 3.4Å; F31-L36 PolarHBondContact O-N 3.36Å; L36-N38 PolarHBondContact O-N 3.18Å; L36-Y39 WeakPolarHBondContact O-CB 2.78Å; L36-Y39 PolarHBondContact O-N 2.69Å; L36-W47 HydrophobicContact CB-CD2 4.19Å; L36-W47 HydrophobicContact CB-CG 4.06Å; L36-W47 HydrophobicContact CD1-CD2 4.19Å; L36-W47 HydrophobicContact CD1-CE3 4.14Å; L36-W47 HydrophobicContact CD1-CG 4.45Å; L36-W47 HydrophobicContact CD2-CD2 3.92Å; L36-W47 HydrophobicContact CD2-CE3 4.04Å; L36-W47 HydrophobicContact CD2-CH2 3.79Å; L36-W47 HydrophobicContact CD2-CZ2 3.68Å; L36-W47 HydrophobicContact CD2-CZ3 3.98Å; L36-W47 HydrophobicContact CG-CD2 4.34Å; L36-W47 VanDerWaalsContact O-CD1 3.24Å; L36-W47 PolarHBondContact O-NE1 3.48Å; L36-I110 HydrophobicContact CD1-CD1 4.44Å; L36-I110 HydrophobicContact CD1-CG1 4.18Å; L36-I110 HydrophobicContact CD1-CG2 4.02Å; L36-I110 HydrophobicContact CD2-CG2 4.07Å; L36-I110 HydrophobicContact CG-CG2 4.05Å; L36-K114 HydrophobicContact CD2-CD 4.21Å; L36-K114 VanDerWaalsContact CD2-CE 3.44Å; L36-K114 HydrophobicContact CD2-CG 3.73Å
37D97.6Very high98Very high38 Ų3843.8 Ų43.820%0.20326%0.262CS..THydrogen-bonded Turntrans-63.4127.4175.3-161.511.1000110.5Y39 L44D37-Y39 PolarHBondContact O-N 3.44Å; D37-L44 HydrophobicContact CB-CB 4Å; D37-L44 PolarHBondContact OD1-N 3.23Å
38N97.1Very high98Very high112 Ų11243.8 Ų43.860%0.59926%0.262SS*.THydrogen-bonded Turntrans636.6-171.6-55.2-57.6000116L36 G40 G41 F42L36-N38 PolarHBondContact O-N 3.18Å; N38-G40 PolarHBondContact O-N 3.03Å; N38-G41 PolarHBondContact O-N 3.08Å; N38-F42 CarbonylContact C-O 3.58Å; N38-F42 WeakPolarHBondContact CA-O 3.42Å; N38-F42 PolarHBondContact N-O 3.18Å
39Y98.4Very high98Very high66 Ų6644 Ų4426%0.25926%0.263SS..G310 helixtrans-66.4127.8175.4-177.1-87.1000110.6L36 D37 G41 F42 W47 K114 V117L36-Y39 WeakPolarHBondContact O-CB 2.78Å; L36-Y39 PolarHBondContact O-N 2.69Å; D37-Y39 PolarHBondContact O-N 3.44Å; Y39-G41 PolarHBondContact O-N 2.87Å; Y39-F42 PolarHBondContact O-N 3.35Å; Y39-F42 VanDerWaalsContact O-N 3.16Å; Y39-W47 AromaticContact CD1-CZ2 3.9Å; Y39-W47 HydrophobicContact CD1-CZ2 3.9Å; Y39-K114 HydrophobicContact CD1-CG 3.95Å; Y39-K114 HydrophobicContact CD2-CD 4.04Å; Y39-K114 HydrophobicContact CD2-CG 4.23Å; Y39-K114 HydrophobicContact CE1-CB 3.74Å; Y39-K114 HydrophobicContact CE1-CD 4.44Å; Y39-K114 HydrophobicContact CE1-CG 3.66Å; Y39-K114 WeakPolarHBondContact CE1-O 3.37Å; Y39-K114 HydrophobicContact CE2-CB 4.25Å; Y39-K114 HydrophobicContact CE2-CD 3.82Å; Y39-K114 HydrophobicContact CE2-CG 3.96Å; Y39-K114 HydrophobicContact CG-CD 4.43Å; Y39-K114 HydrophobicContact CG-CG 4.22Å; Y39-K114 PolarHBondContact OH-O 2.98Å; Y39-V117 HydrophobicContact CD1-CG1 4.33Å; Y39-V117 HydrophobicContact CE1-CB 4.18Å; Y39-V117 HydrophobicContact CE1-CG1 4.1Å
40G97.2Very high98.1Very high53 Ų5338.9 Ų38.955%0.54624%0.241SC..G310 helixtrans64.815.9-178.700000114.3N38 F42N38-G40 PolarHBondContact O-N 3.03Å; G40-F42 WeakPolarHBondContact O-CD2 3.28Å; G40-F42 WeakPolarHBondContact O-CE2 3.33Å
41G96.9Very high98.1Very high69 Ų6936.8 Ų36.871%0.71123%0.228SC*.G310 helixtrans83.96.6-175.100000114.7N38 Y39N38-G41 PolarHBondContact O-N 3.08Å; Y39-G41 PolarHBondContact O-N 2.87Å
42F98Very high98.1Very high35 Ų3541 Ų4115%0.15425%0.245CC..  trans-101132.3178.8-62.8-82.4000111.5N38 Y39 G40 N46 V117 M123 W129N38-F42 CarbonylContact C-O 3.58Å; N38-F42 WeakPolarHBondContact CA-O 3.42Å; N38-F42 PolarHBondContact N-O 3.18Å; Y39-F42 PolarHBondContact O-N 3.35Å; Y39-F42 VanDerWaalsContact O-N 3.16Å; G40-F42 WeakPolarHBondContact O-CD2 3.28Å; G40-F42 WeakPolarHBondContact O-CE2 3.33Å; F42-N46 HydrophobicContact CB-CB 3.98Å; F42-N46 HydrophobicContact CD1-CB 4.22Å; F42-V117 HydrophobicContact CD2-CG1 4.23Å; F42-V117 HydrophobicContact CE2-CG1 4.13Å; F42-M123 HydrophobicContact CB-SD 3.9Å; F42-M123 HydrophobicContact CD1-CG 3.84Å; F42-M123 HydrophobicContact CD1-SD 3.42Å; F42-M123 WeakPolarHBondContact CD1-SD 3.36Å; F42-M123 HydrophobicContact CD2-CG 3.87Å; F42-M123 HydrophobicContact CD2-SD 4.05Å; F42-M123 HydrophobicContact CE1-CB 4.14Å; F42-M123 HydrophobicContact CE1-CG 3.77Å; F42-M123 HydrophobicContact CE1-SD 3.93Å; F42-M123 HydrophobicContact CE2-CG 3.82Å; F42-M123 HydrophobicContact CG-CG 3.9Å; F42-M123 HydrophobicContact CG-SD 3.49Å; F42-M123 WeakPolarHBondContact CG-SD 3.45Å; F42-M123 HydrophobicContact CZ-CB 4.18Å; F42-M123 HydrophobicContact CZ-CG 3.77Å; F42-M123 HydrophobicContact CZ-SD 4.46Å; F42-W129 HydrophobicContact CD1-CZ2 4.1Å; F42-W129 AromaticContact CE1-CH2 3.93Å; F42-W129 HydrophobicContact CE1-CH2 3.93Å; F42-W129 AromaticContact CE1-CZ2 3.7Å; F42-W129 HydrophobicContact CE1-CZ2 3.7Å
43T97.6Very high98.2Very high51 Ų5142.8 Ų42.831%0.31325%0.247SC..  trans-68160.2176.562.60000111.7G45 N46 W47 S138T43-G45 PolarHBondContact O-N 2.89Å; T43-G45 VanDerWaalsContact O-N 3.13Å; T43-N46 WeakPolarHBondContact O-CB 3.39Å; T43-N46 PolarHBondContact O-N 3.48Å; T43-N46 PolarHBondContact OG1-N 3.12Å; T43-N46 PolarHBondContact OG1-ND2 2.87Å; T43-W47 VanDerWaalsContact O-CD1 3.3Å; T43-W47 PolarHBondContact O-N 2.94Å; T43-S138 PolarHBondContact OG1-OG 2.86Å
44L98.3Very high98.2Very high0 Ų035.5 Ų35.50%022%0.215CC..Hα-helixtrans-50-37.8169.4179.762.5000112.4A28 F31 V32 D37 N46 W47 L48 K142 V147A28-L44 HydrophobicContact CB-CD2 4.31Å; F31-L44 HydrophobicContact CB-CD1 3.51Å; F31-L44 HydrophobicContact CD2-CD1 4.31Å; F31-L44 HydrophobicContact CG-CD1 4.45Å; V32-L44 HydrophobicContact CG2-CD1 4.01Å; V32-L44 HydrophobicContact CG2-CD2 3.54Å; V32-L44 HydrophobicContact CG2-CG 4.37Å; D37-L44 HydrophobicContact CB-CB 4Å; D37-L44 PolarHBondContact OD1-N 3.23Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.27Å; L44-W47 PolarHBondContact O-N 3.36Å; L44-L48 HydrophobicContact CD1-CD1 4.48Å; L44-L48 HydrophobicContact CG-CD1 4.05Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.9Å; L44-K142 HydrophobicContact CB-CD 4.44Å; L44-K142 HydrophobicContact CD2-CB 4Å; L44-K142 HydrophobicContact CD2-CD 4Å; L44-V147 HydrophobicContact CD2-CB 4.35Å; L44-V147 HydrophobicContact CD2-CG2 3.7Å
45G98.3Very high98.2Very high2 Ų234.2 Ų34.22%0.02120%0.204CC..Hα-helixtrans-63.6-36.1177.900000113.4T43 L48 C49 S138T43-G45 PolarHBondContact O-N 2.89Å; T43-G45 VanDerWaalsContact O-N 3.13Å; G45-L48 PolarHBondContact O-N 3.29Å; G45-C49 VanDerWaalsContact O-CB 3.23Å; G45-C49 WeakPolarHBondContact O-CB 3.31Å; G45-C49 PolarHBondContact O-N 3.31Å; G45-S138 WeakPolarHBondContact CA-O 3.18Å
46N98.5Very high98.2Very high21 Ų2137.9 Ų37.911%0.11221%0.211CC..Hα-helixtrans-63.2-43.8174.2-86-79.6000111.6F42 T43 L44 C49 M50 M123 W129 S138F42-N46 HydrophobicContact CB-CB 3.98Å; F42-N46 HydrophobicContact CD1-CB 4.22Å; T43-N46 WeakPolarHBondContact O-CB 3.39Å; T43-N46 PolarHBondContact O-N 3.48Å; T43-N46 PolarHBondContact OG1-N 3.12Å; T43-N46 PolarHBondContact OG1-ND2 2.87Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 3.27Å; N46-C49 PolarHBondContact O-N 3.07Å; N46-M50 WeakPolarHBondContact O-CB 3.46Å; N46-M50 PolarHBondContact O-N 2.95Å; N46-M123 HydrophobicContact CB-SD 4.03Å; N46-W129 PolarHBondContact OD1-NE1 2.9Å; N46-S138 PolarHBondContact ND2-OG 3.29Å
47W98.8Very high98.2Very high0 Ų038.4 Ų38.40%021%0.213CC..Hα-helixtrans-63.5-43.5177-70.6101.6000112.8F31 L36 Y39 T43 L44 M50 A51 F75 A113 V117 M123F31-W47 HydrophobicContact CD2-CB 3.7Å; F31-W47 HydrophobicContact CE2-CB 3.87Å; L36-W47 HydrophobicContact CB-CD2 4.19Å; L36-W47 HydrophobicContact CB-CG 4.06Å; L36-W47 HydrophobicContact CD1-CD2 4.19Å; L36-W47 HydrophobicContact CD1-CE3 4.14Å; L36-W47 HydrophobicContact CD1-CG 4.45Å; L36-W47 HydrophobicContact CD2-CD2 3.92Å; L36-W47 HydrophobicContact CD2-CE3 4.04Å; L36-W47 HydrophobicContact CD2-CH2 3.79Å; L36-W47 HydrophobicContact CD2-CZ2 3.68Å; L36-W47 HydrophobicContact CD2-CZ3 3.98Å; L36-W47 HydrophobicContact CG-CD2 4.34Å; L36-W47 VanDerWaalsContact O-CD1 3.24Å; L36-W47 PolarHBondContact O-NE1 3.48Å; Y39-W47 AromaticContact CD1-CZ2 3.9Å; Y39-W47 HydrophobicContact CD1-CZ2 3.9Å; T43-W47 VanDerWaalsContact O-CD1 3.3Å; T43-W47 PolarHBondContact O-N 2.94Å; L44-W47 PolarHBondContact O-N 3.36Å; W47-M50 HydrophobicContact CE3-CE 3.63Å; W47-M50 HydrophobicContact CZ3-CE 3.73Å; W47-A51 WeakPolarHBondContact O-CB 3.4Å; W47-A51 PolarHBondContact O-N 3.2Å; W47-F75 HydrophobicContact CE3-CE1 4.49Å; W47-A113 HydrophobicContact CZ3-CB 4.03Å; W47-V117 HydrophobicContact CH2-CB 4.43Å; W47-V117 HydrophobicContact CH2-CG2 3.47Å; W47-V117 VanDerWaalsContact CH2-CG2 3.47Å; W47-V117 HydrophobicContact CZ2-CG2 3.9Å; W47-V117 HydrophobicContact CZ3-CG2 4.42Å; W47-M123 HydrophobicContact CD2-CE 4.33Å; W47-M123 HydrophobicContact CE3-CE 4.18Å; W47-M123 HydrophobicContact CZ3-CE 4.44Å
48L98.7Very high98.2Very high0 Ų039 Ų390%022%0.216CC..Hα-helixtrans-65-45.4175.7-70.9171.4000111.6L27 A28 F31 L44 G45 M50 A51 Y52 Y57 W141 K142L27-L48 HydrophobicContact CB-CD2 4.03Å; L27-L48 HydrophobicContact CD2-CD2 4.02Å; L27-L48 HydrophobicContact CG-CD2 4.03Å; A28-L48 HydrophobicContact CB-CD1 3.85Å; A28-L48 HydrophobicContact CB-CD2 4.22Å; F31-L48 HydrophobicContact CD2-CD2 3.99Å; F31-L48 HydrophobicContact CD2-CG 4.29Å; F31-L48 HydrophobicContact CE2-CD2 4.12Å; L44-L48 HydrophobicContact CD1-CD1 4.48Å; L44-L48 HydrophobicContact CG-CD1 4.05Å; L44-L48 HydrophobicContact CG-CG 4.49Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.9Å; G45-L48 PolarHBondContact O-N 3.29Å; L48-M50 PolarHBondContact O-N 3.41Å; L48-A51 PolarHBondContact O-N 3.06Å; L48-Y52 WeakPolarHBondContact O-CB 3.35Å; L48-Y52 PolarHBondContact O-N 3.07Å; L48-Y57 WeakPolarHBondContact O-CE1 3.39Å; L48-Y57 PolarHBondContact O-OH 3.25Å; L48-Y57 VanDerWaalsContact O-OH 3.12Å; L48-W141 HydrophobicContact CB-CB 4Å; L48-W141 HydrophobicContact CB-CE3 4.17Å; L48-W141 HydrophobicContact CD1-CB 4.28Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.37Å; L48-K142 HydrophobicContact CD1-CB 4.45Å
49C98.7Very high98.3Very high3 Ų333.7 Ų33.72%0.0219%0.188CC..Hα-helixtrans-59.6-46.6176.8-169.80000111.5G45 N46 Y52 Y53 C133 W141G45-C49 VanDerWaalsContact O-CB 3.23Å; G45-C49 WeakPolarHBondContact O-CB 3.31Å; G45-C49 PolarHBondContact O-N 3.31Å; N46-C49 PolarHBondContact O-N 3.07Å; C49-Y52 PolarHBondContact O-N 3.42Å; C49-Y53 VanDerWaalsContact O-CD2 3.31Å; C49-Y53 WeakPolarHBondContact O-CD2 3.44Å; C49-Y53 PolarHBondContact O-N 3.24Å; C49-Y53 VanDerWaalsContact O-N 3.09Å; C49-C133 HydrophobicContact CB-CB 3.8Å; C49-C133 WeakPolarHBondContact CB-SG 3.17Å; C49-C133 WeakPolarHBondContact SG-CB 3.23Å; C49-C133 CovalentContact SG-SG 2.02Å; C49-C133 PolarHBondContact SG-SG 2.98Å; C49-W141 HydrophobicContact CB-CD2 3.79Å; C49-W141 VanDerWaalsContact CB-CE2 3.43Å; C49-W141 HydrophobicContact CB-CE3 4.43Å; C49-W141 HydrophobicContact CB-CG 4.11Å; C49-W141 HydrophobicContact CB-CH2 4.46Å; C49-W141 HydrophobicContact CB-CZ2 3.82Å; C49-W141 WeakPolarHBondContact SG-CZ2 3.3Å; C49-W141 PolarHBondContact SG-NE1 2.91Å
50M98.8Very high98.2Very high0 Ų032.3 Ų32.30%019%0.188CC..Hα-helixtrans-57-58.1176.1-178.4-93.1-74.600111.3N46 W47 L48 Y52 Y53 E54 F75 M123 W126 W129N46-M50 WeakPolarHBondContact O-CB 3.46Å; N46-M50 PolarHBondContact O-N 2.95Å; W47-M50 HydrophobicContact CE3-CE 3.63Å; W47-M50 HydrophobicContact CZ3-CE 3.73Å; L48-M50 PolarHBondContact O-N 3.41Å; M50-Y52 PolarHBondContact O-N 3.05Å; M50-Y52 VanDerWaalsContact O-N 3.11Å; M50-Y53 PolarHBondContact O-N 3.24Å; M50-E54 HydrophobicContact CG-CG 3.98Å; M50-E54 WeakPolarHBondContact O-CB 3.48Å; M50-E54 VanDerWaalsContact O-CG 3.27Å; M50-E54 WeakPolarHBondContact O-CG 3.39Å; M50-E54 PolarHBondContact O-N 3.26Å; M50-E54 HydrophobicContact SD-CG 3.88Å; M50-F75 HydrophobicContact CE-CD1 3.38Å; M50-F75 HydrophobicContact CE-CE1 3.77Å; M50-F75 HydrophobicContact CE-CG 4.26Å; M50-F75 HydrophobicContact SD-CD1 3.68Å; M50-F75 HydrophobicContact SD-CE1 4.43Å; M50-M123 HydrophobicContact CB-CE 3.48Å; M50-M123 VanDerWaalsContact CB-CE 3.48Å; M50-M123 HydrophobicContact CE-CE 3.78Å; M50-M123 HydrophobicContact CG-CE 3.75Å; M50-W126 HydrophobicContact CE-CD2 3.94Å; M50-W126 HydrophobicContact CE-CE3 4.32Å; M50-W126 HydrophobicContact CE-CG 4.47Å; M50-W126 HydrophobicContact CE-CH2 4.37Å; M50-W126 HydrophobicContact CE-CZ2 3.97Å; M50-W126 HydrophobicContact CG-CB 3.79Å; M50-W126 HydrophobicContact CG-CD2 3.89Å; M50-W126 HydrophobicContact CG-CE3 4.41Å; M50-W126 HydrophobicContact CG-CG 3.6Å; M50-W126 HydrophobicContact SD-CD2 3.92Å; M50-W126 HydrophobicContact SD-CG 3.82Å; M50-W129 HydrophobicContact CB-CB 3.79Å; M50-W129 HydrophobicContact CB-CG 4Å; M50-W129 HydrophobicContact CG-CB 3.71Å; M50-W129 HydrophobicContact CG-CG 4.29Å
51A98.8Very high98.2Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-59.7-29.6-177.100000113.1L27 F31 W47 L48 S55 Y57 I74 F75L27-A51 HydrophobicContact CD2-CB 4.09Å; F31-A51 HydrophobicContact CE2-CB 4.28Å; F31-A51 HydrophobicContact CZ-CB 4.14Å; W47-A51 WeakPolarHBondContact O-CB 3.4Å; W47-A51 PolarHBondContact O-N 3.2Å; L48-A51 PolarHBondContact O-N 3.06Å; A51-S55 PolarHBondContact O-N 3.1Å; A51-S55 PolarHBondContact O-OG 2.96Å; A51-Y57 HydrophobicContact CB-CD1 3.81Å; A51-Y57 HydrophobicContact CB-CE1 3.85Å; A51-Y57 PolarHBondContact O-N 2.98Å; A51-I74 HydrophobicContact CB-CG1 4.22Å; A51-F75 HydrophobicContact CB-CD1 4.32Å; A51-F75 HydrophobicContact CB-CE1 4.15Å
52Y98.7Very high98.3Very high89 Ų8932.5 Ų32.535%0.34916%0.159SC..Hα-helixtrans-69.9-46.4174.5-177.3-99.9000112.6L48 C49 M50 E54 H56 Y57 W141L48-Y52 WeakPolarHBondContact O-CB 3.35Å; L48-Y52 PolarHBondContact O-N 3.07Å; C49-Y52 PolarHBondContact O-N 3.42Å; M50-Y52 PolarHBondContact O-N 3.05Å; M50-Y52 VanDerWaalsContact O-N 3.11Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-H56 AromaticContact CE1-ND1 3.91Å; Y52-H56 AromaticContact CE2-ND1 3.78Å; Y52-H56 AromaticContact CZ-ND1 3.65Å; Y52-H56 WeakPolarHBondContact O-CA 3.32Å; Y52-H56 PolarHBondContact O-N 3.48Å; Y52-H56 PolarHBondContact O-ND1 3.3Å; Y52-Y57 HydrophobicContact CD2-CD2 4.09Å; Y52-Y57 AromaticContact CD2-CE2 3.75Å; Y52-Y57 HydrophobicContact CD2-CE2 3.75Å; Y52-Y57 HydrophobicContact CG-CE2 4.44Å; Y52-Y57 VanDerWaalsContact N-CE1 3.3Å; Y52-W141 AromaticContact CD1-CH2 3.58Å; Y52-W141 HydrophobicContact CD1-CH2 3.58Å; Y52-W141 HydrophobicContact CD1-CZ3 4.08Å; Y52-W141 HydrophobicContact CD2-CZ3 4.4Å; Y52-W141 HydrophobicContact CE1-CH2 4.36Å; Y52-W141 AromaticContact CG-CH2 3.75Å; Y52-W141 HydrophobicContact CG-CH2 3.75Å; Y52-W141 AromaticContact CG-CZ3 3.75Å; Y52-W141 HydrophobicContact CG-CZ3 3.75Å
53Y98.6Very high98.3Very high92 Ų9234 Ų3436%0.36117%0.171SC..Hα-helixtrans-78.9-18.8-177.3-79.2-70.4000113.7C49 M50 N132 W141C49-Y53 VanDerWaalsContact O-CD2 3.31Å; C49-Y53 WeakPolarHBondContact O-CD2 3.44Å; C49-Y53 PolarHBondContact O-N 3.24Å; C49-Y53 VanDerWaalsContact O-N 3.09Å; M50-Y53 PolarHBondContact O-N 3.24Å; Y53-N132 HydrophobicContact CD1-CB 3.82Å; Y53-N132 WeakPolarHBondContact CD1-ND2 3.5Å; Y53-N132 HydrophobicContact CD2-CB 3.43Å; Y53-N132 VanDerWaalsContact CD2-CB 3.43Å; Y53-N132 HydrophobicContact CE1-CB 3.71Å; Y53-N132 VanDerWaalsContact CE1-CG 3.43Å; Y53-N132 HydrophobicContact CE2-CB 3.3Å; Y53-N132 HydrophobicContact CG-CB 3.68Å; Y53-N132 VanDerWaalsContact CZ-CB 3.44Å; Y53-W141 HydrophobicContact CD2-CH2 4.45Å; Y53-W141 HydrophobicContact CD2-CZ2 4.44Å; Y53-W141 HydrophobicContact CE2-CH2 4.03Å; Y53-W141 AromaticContact CE2-CZ2 3.81Å; Y53-W141 HydrophobicContact CE2-CZ2 3.81Å
54E98.8Very high98.3Very high40 Ų4036.8 Ų36.819%0.18719%0.188CC..Hα-helixtrans-85-40.5174.6-63-56.3151.200112.4M50 Y52 Q76 W126 Q127 G128 W129M50-E54 HydrophobicContact CG-CG 3.98Å; M50-E54 WeakPolarHBondContact O-CB 3.48Å; M50-E54 VanDerWaalsContact O-CG 3.27Å; M50-E54 WeakPolarHBondContact O-CG 3.39Å; M50-E54 PolarHBondContact O-N 3.26Å; M50-E54 HydrophobicContact SD-CG 3.88Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; E54-Q76 HydrophobicContact CB-CB 4.22Å; E54-Q76 HydrophobicContact CB-CG 3.85Å; E54-Q76 WeakPolarHBondContact O-CG 3.46Å; E54-W126 HydrophobicContact CG-CB 4.24Å; E54-W126 HydrophobicContact CG-CG 4.22Å; E54-W126 WeakPolarHBondContact OE1-CA 3.06Å; E54-W126 VanDerWaalsContact OE1-CB 3.27Å; E54-W126 WeakPolarHBondContact OE1-CB 3.24Å; E54-Q127 PolarHBondContact OE1-N 3.38Å; E54-G128 WeakPolarHBondContact OE1-CA 3.19Å; E54-G128 PolarHBondContact OE1-N 2.04Å; E54-W129 PolarHBondContact OE1-N 2.99Å; E54-W129 VanDerWaalsContact OE1-N 3.17Å
55S98.5Very high98.2Very high10 Ų1039.8 Ų39.87%0.0720%0.203CC..Hα-helixtrans-140.53.7-173.485.30000116.1A51 Y57 N58 I74A51-S55 PolarHBondContact O-N 3.1Å; A51-S55 PolarHBondContact O-OG 2.96Å; S55-Y57 PolarHBondContact O-N 2.88Å; S55-Y57 PolarHBondContact OG-N 2.98Å; S55-N58 VanDerWaalsContact O-CB 3.25Å; S55-N58 WeakPolarHBondContact O-CB 3.2Å; S55-N58 PolarHBondContact O-N 2.81Å; S55-N58 PolarHBondContact OG-N 3.33Å; S55-N58 PolarHBondContact OG-O 3.34Å; S55-N58 VanDerWaalsContact OG-O 3.1Å; S55-I74 WeakPolarHBondContact OG-CA 2.99Å; S55-I74 PolarHBondContact OG-O 2.03Å
56H98.2Very high98.1Very high114 Ų11449.7 Ų49.753%0.52825%0.249SC..THydrogen-bonded Turntrans51.936.8-167.2-59.6-61.7000112.7Y52 N58Y52-H56 AromaticContact CE1-ND1 3.91Å; Y52-H56 AromaticContact CE2-ND1 3.78Å; Y52-H56 AromaticContact CZ-ND1 3.65Å; Y52-H56 WeakPolarHBondContact O-CA 3.32Å; Y52-H56 PolarHBondContact O-N 3.48Å; Y52-H56 PolarHBondContact O-ND1 3.3Å; H56-N58 PolarHBondContact O-N 2.73Å
57Y98.4Very high97.9Very high11 Ų1153.8 Ų53.84%0.04327%0.271CS..THydrogen-bonded Turntrans62.816.8-176.9-50.6-43.6000115.7V21 Y22 R24 L27 L48 A51 Y52 S55 W141V21-Y57 WeakPolarHBondContact CA-O 3.23Å; Y22-Y57 PolarHBondContact N-O 2.89Å; Y22-Y57 VanDerWaalsContact O-CB 3.28Å; Y22-Y57 WeakPolarHBondContact O-CB 3.37Å; Y22-Y57 WeakPolarHBondContact O-CD2 3.41Å; R24-Y57 HydrophobicContact CB-CE2 4.02Å; R24-Y57 HydrophobicContact CG-CE2 4.48Å; L27-Y57 HydrophobicContact CD2-CD1 3.21Å; L27-Y57 HydrophobicContact CD2-CE1 3.41Å; L27-Y57 VanDerWaalsContact CD2-CE1 3.41Å; L27-Y57 HydrophobicContact CD2-CG 3.89Å; L48-Y57 WeakPolarHBondContact O-CE1 3.39Å; L48-Y57 PolarHBondContact O-OH 3.25Å; L48-Y57 VanDerWaalsContact O-OH 3.12Å; A51-Y57 HydrophobicContact CB-CD1 3.81Å; A51-Y57 HydrophobicContact CB-CE1 3.85Å; A51-Y57 PolarHBondContact O-N 2.98Å; Y52-Y57 HydrophobicContact CD2-CD2 4.09Å; Y52-Y57 AromaticContact CD2-CE2 3.75Å; Y52-Y57 HydrophobicContact CD2-CE2 3.75Å; Y52-Y57 HydrophobicContact CG-CE2 4.44Å; Y52-Y57 VanDerWaalsContact N-CE1 3.3Å; S55-Y57 PolarHBondContact O-N 2.88Å; S55-Y57 PolarHBondContact OG-N 2.98Å; Y57-W141 WeakPolarHBondContact OH-CZ3 3.5Å
58N98.1Very high97.6Very high51 Ų5155.3 Ų55.327%0.27329%0.287SS..BIsolated β-bridgetrans-79.2119.9173.8-175.9-1.4000110V21 S55 H56 S60 A61 I74V21-N58 HydrophobicContact CG2-CB 4.14Å; S55-N58 VanDerWaalsContact O-CB 3.25Å; S55-N58 WeakPolarHBondContact O-CB 3.2Å; S55-N58 PolarHBondContact O-N 2.81Å; S55-N58 PolarHBondContact OG-N 3.33Å; S55-N58 PolarHBondContact OG-O 3.34Å; S55-N58 VanDerWaalsContact OG-O 3.1Å; H56-N58 PolarHBondContact O-N 2.73Å; N58-S60 VanDerWaalsContact C-N 3.29Å; N58-S60 PolarHBondContact O-N 3.33Å; N58-S60 PolarHBondContact OD1-N 3.11Å; N58-A61 HydrophobicContact CB-CB 4.2Å; N58-I74 WeakPolarHBondContact O-CA 3.19Å
59T98Very high97.4Very high0 Ų055.7 Ų55.70%029%0.289CS..THydrogen-bonded Turntrans-71-21.9178.556.10000113.5K20 Y22 G73 I74 T102 L106K20-T59 PolarHBondContact N-OG1 2.86Å; K20-T59 PolarHBondContact O-N 3.42Å; K20-T59 PolarHBondContact O-OG1 3.46Å; K20-T59 VanDerWaalsContact O-OG1 3.08Å; Y22-T59 HydrophobicContact CD2-CG2 3.67Å; Y22-T59 HydrophobicContact CE2-CG2 3.52Å; T59-G73 VanDerWaalsContact O-CA 3.24Å; T59-G73 WeakPolarHBondContact O-CA 3.26Å; T59-I74 HydrophobicContact CG2-CD1 4.5Å; T59-T102 CarbonylContact O-C 3.55Å; T59-T102 WeakPolarHBondContact O-CA 3.35Å; T59-L106 HydrophobicContact CG2-CD2 3.7Å
60S96.9Very high97.4Very high38 Ų3855.9 Ų55.927%0.26629%0.291SS..THydrogen-bonded Turntrans-109.320.6-178.5-50.30000112.9S19 N58 E62 T102S19-S60 VanDerWaalsContact CA-OG 3.26Å; S19-S60 WeakPolarHBondContact CA-OG 3.34Å; S19-S60 WeakPolarHBondContact CB-OG 3.46Å; N58-S60 VanDerWaalsContact C-N 3.29Å; N58-S60 PolarHBondContact O-N 3.33Å; N58-S60 PolarHBondContact OD1-N 3.11Å; S60-E62 PolarHBondContact O-N 3.31Å; S60-T102 PolarHBondContact OG-O 3.02Å; S60-T102 VanDerWaalsContact OG-O 3.08Å
61A97.8Very high97.4Very high15 Ų1557.1 Ų57.112%0.12430%0.297CS..  trans-63.4132.3174.600000110.9N58 G73 Q76N58-A61 HydrophobicContact CB-CB 4.2Å; A61-G73 PolarHBondContact O-N 2.9Å; A61-Q76 PolarHBondContact O-NE2 3.44Å
62E97.8Very high97.4Very high111 Ų11158.2 Ų58.252%0.51930%0.301SS..EExtended strand (participates in β ladder)trans-132.1131.4173.8-66.2-172-169.400109.9S60 T70 D71 Y72 T102S60-E62 PolarHBondContact O-N 3.31Å; E62-T70 HydrophobicContact CB-CG2 4.25Å; E62-D71 VanDerWaalsContact CA-O 3.3Å; E62-D71 WeakPolarHBondContact CA-O 3.02Å; E62-Y72 VanDerWaalsContact CD-CE1 3.49Å; E62-Y72 HydrophobicContact CG-CD1 3.84Å; E62-Y72 HydrophobicContact CG-CE1 4.02Å; E62-Y72 WeakPolarHBondContact OE1-CE1 3.39Å; E62-T102 HydrophobicContact CG-CG2 4.33Å
63T98.1Very high97.4Very high66 Ų6654 Ų5441%0.40529%0.285SS..EExtended strand (participates in β ladder)trans-124.4117.1176.7-55.80000109.2L65 T70 D71 Q76T63-L65 HydrophobicContact CG2-CD2 4.11Å; T63-T70 CarbonylContact O-C 3.56Å; T63-T70 VanDerWaalsContact O-CA 3.3Å; T63-T70 WeakPolarHBondContact O-CA 3.28Å; T63-D71 PolarHBondContact N-O 3.18Å; T63-D71 PolarHBondContact O-N 2.93Å; T63-Q76 PolarHBondContact OG1-OE1 3.47Å
64V97.5Very high97.4Very high110 Ų11049.6 Ų49.667%0.66727%0.268SS*.EExtended strand (participates in β ladder)trans-83.1126.8174.1-177.60000108.9T70V64-T70 HydrophobicContact CG2-CG2 4.31Å
65L96.4Very high97.4Very high63 Ų6347.8 Ų47.833%0.3326%0.259SS..  trans-95162179.4-56.1-174.2000111.2T63 D67 G68 S69 N78T63-L65 HydrophobicContact CG2-CD2 4.11Å; L65-D67 WeakPolarHBondContact CB-OD1 3.32Å; L65-D67 PolarHBondContact O-N 3.35Å; L65-G68 PolarHBondContact O-N 2.8Å; L65-S69 PolarHBondContact N-O 2.9Å; L65-N78 WeakPolarHBondContact CD1-ND2 3.47Å
66E95.8Very high97.4Very high209 Ų20947.6 Ų47.698%0.97726%0.257SS*.THydrogen-bonded Turntrans-61.2-29.5-178.3-64.8-176.8170.800113.4G68E66-G68 PolarHBondContact O-N 3.46Å
67D93.7Very high97.4Very high108 Ų10842.2 Ų42.258%0.57823%0.232SC*.THydrogen-bonded Turntrans-75.20.3176.374.6-10.7000113.4L65 S69L65-D67 WeakPolarHBondContact CB-OD1 3.32Å; L65-D67 PolarHBondContact O-N 3.35Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.89Å; D67-S69 WeakPolarHBondContact OD1-CB 3.05Å; D67-S69 PolarHBondContact OD1-N 2.05Å; D67-S69 PolarHBondContact OD1-OG 2.74Å; D67-S69 PolarHBondContact OD2-OG 2.93Å
68G93Very high97.4Very high32 Ų3242.4 Ų42.433%0.3323%0.234SC..SBendtrans79.63.2-179.300000114.4L65 E66 K87L65-G68 PolarHBondContact O-N 2.8Å; E66-G68 PolarHBondContact O-N 3.46Å; G68-K87 PolarHBondContact O-NZ 2.97Å
69S95.9Very high97.4Very high7 Ų740 Ų405%0.04922%0.221CC..  trans-76.5167.2165.475.20000110.8L65 D67 N78L65-S69 PolarHBondContact N-O 2.9Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.89Å; D67-S69 WeakPolarHBondContact OD1-CB 3.05Å; D67-S69 PolarHBondContact OD1-N 2.05Å; D67-S69 PolarHBondContact OD1-OG 2.74Å; D67-S69 PolarHBondContact OD2-OG 2.93Å; S69-N78 PolarHBondContact OG-ND2 2.91Å
70T98Very high97.3Very high8 Ų845.1 Ų45.15%0.04924%0.244CC..EExtended strand (participates in β ladder)trans-135.6135.4-179.5-51.80000109E62 T63 V64 Y72 S79E62-T70 HydrophobicContact CB-CG2 4.25Å; T63-T70 CarbonylContact O-C 3.56Å; T63-T70 VanDerWaalsContact O-CA 3.3Å; T63-T70 WeakPolarHBondContact O-CA 3.28Å; V64-T70 HydrophobicContact CG2-CG2 4.31Å; T70-Y72 VanDerWaalsContact CB-CE2 3.46Å; T70-Y72 HydrophobicContact CG2-CD2 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 4.07Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CD2 3.06Å; T70-Y72 VanDerWaalsContact O-CE2 3.27Å; T70-Y72 WeakPolarHBondContact O-CE2 3.28Å; T70-S79 PolarHBondContact N-OG 3.09Å; T70-S79 WeakPolarHBondContact O-CB 3.49Å; T70-S79 PolarHBondContact O-N 2.95Å; T70-S79 PolarHBondContact O-OG 3.32Å
71D98.5Very high97.4Very high25 Ų2544.8 Ų44.813%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-91.6133.1172.1-67.8-19.9000110E62 T63 Q76 N78E62-D71 VanDerWaalsContact CA-O 3.3Å; E62-D71 WeakPolarHBondContact CA-O 3.02Å; T63-D71 PolarHBondContact N-O 3.18Å; T63-D71 PolarHBondContact O-N 2.93Å; D71-Q76 HydrophobicContact CB-CB 3.92Å; D71-N78 VanDerWaalsContact OD1-CA 3.24Å; D71-N78 WeakPolarHBondContact OD1-CA 3.06Å; D71-N78 WeakPolarHBondContact OD1-CB 3.35Å; D71-N78 VanDerWaalsContact OD1-CG 3.3Å; D71-N78 PolarHBondContact OD1-ND2 3.49Å
72Y98.5Very high97.4Very high23 Ų2344.7 Ų44.79%0.0924%0.236CC..EExtended strand (participates in β ladder)trans-120.2136.6-170.5-70.8-89.2000113.4E62 T70 Q76 I77 N85 C98 T102E62-Y72 VanDerWaalsContact CD-CE1 3.49Å; E62-Y72 HydrophobicContact CG-CD1 3.84Å; E62-Y72 HydrophobicContact CG-CE1 4.02Å; E62-Y72 WeakPolarHBondContact OE1-CE1 3.39Å; T70-Y72 VanDerWaalsContact CB-CE2 3.46Å; T70-Y72 HydrophobicContact CG2-CD2 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 4.07Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 VanDerWaalsContact O-CD2 3.23Å; T70-Y72 WeakPolarHBondContact O-CD2 3.06Å; T70-Y72 VanDerWaalsContact O-CE2 3.27Å; T70-Y72 WeakPolarHBondContact O-CE2 3.28Å; Y72-Q76 WeakPolarHBondContact O-CA 3.49Å; Y72-Q76 PolarHBondContact O-N 3.48Å; Y72-I77 PolarHBondContact N-O 2.8Å; Y72-I77 PolarHBondContact O-N 3.35Å; Y72-N85 HydrophobicContact CE2-CB 4.39Å; Y72-N85 PolarHBondContact OH-ND2 3.43Å; Y72-C98 HydrophobicContact CD1-CB 3.97Å; Y72-C98 HydrophobicContact CD2-CB 3.54Å; Y72-C98 HydrophobicContact CE1-CB 4.06Å; Y72-C98 HydrophobicContact CE2-CB 3.6Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; Y72-T102 HydrophobicContact CD1-CG2 3.77Å; Y72-T102 HydrophobicContact CG-CG2 4.45Å
73G98.3Very high97.4Very high0 Ų039.4 Ų39.40%021%0.212CC..THydrogen-bonded Turntrans72.6-163.9163.900000115.1T59 A61 F75 Q76 L101T59-G73 VanDerWaalsContact O-CA 3.24Å; T59-G73 WeakPolarHBondContact O-CA 3.26Å; A61-G73 PolarHBondContact O-N 2.9Å; G73-F75 PolarHBondContact O-N 3.38Å; G73-F75 VanDerWaalsContact O-N 3.09Å; G73-Q76 PolarHBondContact O-N 2.96Å; G73-Q76 PolarHBondContact O-NE2 2.96Å; G73-L101 WeakPolarHBondContact CA-O 3.46Å
74I98.4Very high97.4Very high1 Ų142 Ų421%0.00521%0.214CC..THydrogen-bonded Turntrans-62.9-22.9-169.9-159.4171.9000114.2L27 A51 S55 N58 T59 L106L27-I74 HydrophobicContact CD1-CD1 3.71Å; L27-I74 HydrophobicContact CD2-CD1 3.84Å; L27-I74 HydrophobicContact CG-CD1 4.46Å; A51-I74 HydrophobicContact CB-CG1 4.22Å; S55-I74 WeakPolarHBondContact OG-CA 2.99Å; S55-I74 PolarHBondContact OG-O 2.03Å; N58-I74 WeakPolarHBondContact O-CA 3.19Å; T59-I74 HydrophobicContact CG2-CD1 4.5Å; I74-L106 HydrophobicContact CB-CD2 4.4Å; I74-L106 HydrophobicContact CD1-CD1 4.11Å; I74-L106 HydrophobicContact CG2-CD1 4.5Å; I74-L106 HydrophobicContact CG2-CD2 3.79Å
75F98.8Very high97.2Very high1 Ų139.2 Ų39.20%0.00420%0.195CC..THydrogen-bonded Turntrans-109.79.8179.5-57.8-53000112.8F31 W47 M50 A51 G73 I77 A109 I110 A113 W126F31-F75 HydrophobicContact CE1-CE1 4.13Å; F31-F75 AromaticContact CE1-CZ 3.66Å; F31-F75 HydrophobicContact CE1-CZ 3.66Å; F31-F75 HydrophobicContact CE2-CE1 4.35Å; F31-F75 AromaticContact CZ-CE1 3.55Å; F31-F75 HydrophobicContact CZ-CE1 3.55Å; F31-F75 AromaticContact CZ-CZ 3.59Å; F31-F75 HydrophobicContact CZ-CZ 3.59Å; W47-F75 HydrophobicContact CE3-CE1 4.49Å; M50-F75 HydrophobicContact CE-CD1 3.38Å; M50-F75 HydrophobicContact CE-CE1 3.77Å; M50-F75 HydrophobicContact CE-CG 4.26Å; M50-F75 HydrophobicContact SD-CD1 3.68Å; M50-F75 HydrophobicContact SD-CE1 4.43Å; A51-F75 HydrophobicContact CB-CD1 4.32Å; A51-F75 HydrophobicContact CB-CE1 4.15Å; G73-F75 PolarHBondContact O-N 3.38Å; G73-F75 VanDerWaalsContact O-N 3.09Å; F75-I77 VanDerWaalsContact C-N 3.34Å; F75-I77 HydrophobicContact CB-CD1 4Å; F75-I77 HydrophobicContact CB-CG1 3.91Å; F75-I77 HydrophobicContact CD2-CD1 4.36Å; F75-I77 PolarHBondContact O-N 3.45Å; F75-A109 HydrophobicContact CD2-CB 3.86Å; F75-A109 WeakPolarHBondContact CD2-O 3.31Å; F75-A109 HydrophobicContact CE2-CB 4.04Å; F75-I110 HydrophobicContact CE2-CB 4.45Å; F75-I110 HydrophobicContact CE2-CG1 3.76Å; F75-I110 HydrophobicContact CZ-CG1 3.99Å; F75-A113 HydrophobicContact CB-CB 4.5Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 3.99Å; F75-A113 HydrophobicContact CG-CB 4.06Å; F75-W126 PolarHBondContact O-NE1 3.18Å
76Q98.8Very high96.8Very high7 Ų739.6 Ų39.63%0.03321%0.214CC..THydrogen-bonded Turntrans45.356.6180-67.7-63.2-83.600112.4E54 A61 T63 D71 Y72 G73 Y125E54-Q76 HydrophobicContact CB-CB 4.22Å; E54-Q76 HydrophobicContact CB-CG 3.85Å; E54-Q76 WeakPolarHBondContact O-CG 3.46Å; A61-Q76 PolarHBondContact O-NE2 3.44Å; T63-Q76 PolarHBondContact OG1-OE1 3.47Å; D71-Q76 HydrophobicContact CB-CB 3.92Å; Y72-Q76 WeakPolarHBondContact O-CA 3.49Å; Y72-Q76 PolarHBondContact O-N 3.48Å; G73-Q76 PolarHBondContact O-N 2.96Å; G73-Q76 PolarHBondContact O-NE2 2.96Å; Q76-Y125 PolarHBondContact O-OH 3.05Å; Q76-Y125 VanDerWaalsContact O-OH 3.08Å
77I98.8Very high96.3Very high0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-83.6122.2-175.7-67.6168.2000109.6Y72 F75 W82 L101 C112 I116Y72-I77 PolarHBondContact N-O 2.8Å; Y72-I77 PolarHBondContact O-N 3.35Å; F75-I77 VanDerWaalsContact C-N 3.34Å; F75-I77 HydrophobicContact CB-CD1 4Å; F75-I77 HydrophobicContact CB-CG1 3.91Å; F75-I77 HydrophobicContact CD2-CD1 4.36Å; F75-I77 PolarHBondContact O-N 3.45Å; I77-W82 HydrophobicContact CG2-CB 3.39Å; I77-W82 HydrophobicContact CG2-CG 4.2Å; I77-L101 HydrophobicContact CB-CD1 3.75Å; I77-L101 HydrophobicContact CD1-CD1 4.07Å; I77-L101 HydrophobicContact CG2-CD1 3.59Å; I77-C112 HydrophobicContact CD1-CB 3.91Å; I77-I116 HydrophobicContact CG1-CD1 4.03Å; I77-I116 HydrophobicContact CG2-CD1 4.34Å
78N98.3Very high95.6Very high15 Ų1538.4 Ų38.48%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-80.1135.9-168.9-174.6-88.7000113.4L65 S69 D71 F80 W82 C83 Y125L65-N78 WeakPolarHBondContact CD1-ND2 3.47Å; S69-N78 PolarHBondContact OG-ND2 2.91Å; D71-N78 VanDerWaalsContact OD1-CA 3.24Å; D71-N78 WeakPolarHBondContact OD1-CA 3.06Å; D71-N78 WeakPolarHBondContact OD1-CB 3.35Å; D71-N78 VanDerWaalsContact OD1-CG 3.3Å; D71-N78 PolarHBondContact OD1-ND2 3.49Å; N78-F80 WeakPolarHBondContact OD1-CA 3.49Å; N78-F80 WeakPolarHBondContact OD1-CB 3.5Å; N78-F80 PolarHBondContact OD1-N 3.37Å; N78-W82 PolarHBondContact O-N 3.2Å; N78-C83 PolarHBondContact O-N 3.29Å; N78-Y125 VanDerWaalsContact CB-OH 3.28Å; N78-Y125 WeakPolarHBondContact CB-OH 3.48Å; N78-Y125 PolarHBondContact N-OH 3.25Å
79S97.9Very high95.1Very high0 Ų045.6 Ų45.60%023%0.225CC..THydrogen-bonded Turntrans-78.5-12.7-18055.20000116.2T70 C83 Q90 C98T70-S79 PolarHBondContact N-OG 3.09Å; T70-S79 WeakPolarHBondContact O-CB 3.49Å; T70-S79 PolarHBondContact O-N 2.95Å; T70-S79 PolarHBondContact O-OG 3.32Å; S79-C83 CarbonylContact C-O 3.56Å; S79-C83 WeakPolarHBondContact CA-O 3.22Å; S79-Q90 WeakPolarHBondContact O-CB 3.33Å; S79-Q90 VanDerWaalsContact O-CD 3.23Å; S79-Q90 WeakPolarHBondContact O-CG 3.29Å; S79-Q90 PolarHBondContact O-NE2 3.49Å; S79-C98 VanDerWaalsContact CB-SG 3.5Å
80F96.6Very high94.7Very high109 Ų10946 Ų4648%0.47823%0.227SC..THydrogen-bonded Turntrans-66.4-42.8170.3-175.7-105.4000110.6N78 K91N78-F80 WeakPolarHBondContact OD1-CA 3.49Å; N78-F80 WeakPolarHBondContact OD1-CB 3.5Å; N78-F80 PolarHBondContact OD1-N 3.37Å; F80-K91 PolarHBondContact O-N 3.33Å
81T97.8Very high94.6Very high30 Ų3051.5 Ų51.518%0.18425%0.25CC..THydrogen-bonded Turntrans-109.3-50.7-170-57.90000112.9N92 H93T81-N92 PolarHBondContact O-N 2.96Å; T81-N92 VanDerWaalsContact O-N 3.1Å; T81-H93 PolarHBondContact O-CD2 2.76Å; T81-H93 PolarHBondContact O-N 3.44Å
82W98.7Very high94.5Very high14 Ų1451.1 Ų51.15%0.05325%0.247CC..THydrogen-bonded Turntrans-100.5-38.4-157.9-64.9111.6000114.4I77 N78 N92 H93 C94 K115 I116 E119 T120 Y125I77-W82 HydrophobicContact CG2-CB 3.39Å; I77-W82 HydrophobicContact CG2-CG 4.2Å; N78-W82 PolarHBondContact O-N 3.2Å; W82-N92 CarbonylContact O-C 3.46Å; W82-N92 PolarHBondContact O-OD1 3.4Å; W82-H93 HydrophobicContact CE3-CB 3.6Å; W82-H93 HydrophobicContact CZ3-CB 3.77Å; W82-H93 PolarHBondContact O-N 2.02Å; W82-C94 VanDerWaalsContact O-CB 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.41Å; W82-C94 PolarHBondContact O-N 2.85Å; W82-K115 HydrophobicContact CZ3-CG 4.37Å; W82-I116 HydrophobicContact CD2-CD1 3.9Å; W82-I116 HydrophobicContact CD2-CG1 3.52Å; W82-I116 HydrophobicContact CE3-CD1 4.45Å; W82-I116 HydrophobicContact CE3-CG1 3.69Å; W82-I116 HydrophobicContact CG-CD1 3.9Å; W82-I116 HydrophobicContact CG-CG1 4.08Å; W82-I116 HydrophobicContact CH2-CB 4.39Å; W82-I116 HydrophobicContact CH2-CG1 3.95Å; W82-I116 HydrophobicContact CZ2-CB 4.26Å; W82-I116 HydrophobicContact CZ2-CG1 3.76Å; W82-I116 HydrophobicContact CZ2-CG2 4.17Å; W82-I116 HydrophobicContact CZ3-CG1 3.91Å; W82-E119 HydrophobicContact CH2-CB 4.09Å; W82-T120 HydrophobicContact CZ2-CG2 4.17Å; W82-Y125 AromaticContact CD1-CE2 3.61Å; W82-Y125 AromaticContact CD1-CZ 3.82Å; W82-Y125 AromaticContact NE1-CD2 3.69Å; W82-Y125 AromaticContact NE1-CE2 3.22Å; W82-Y125 AromaticContact NE1-CZ 3.84Å
83C98.4Very high94.5Very high0 Ų053.1 Ų53.10%026%0.258CS..  trans-123.5171.6178.5700000112.1N78 S79 N92 V96 C98 L101N78-C83 PolarHBondContact O-N 3.29Å; S79-C83 CarbonylContact C-O 3.56Å; S79-C83 WeakPolarHBondContact CA-O 3.22Å; C83-N92 WeakPolarHBondContact CA-OD1 3.31Å; C83-V96 HydrophobicContact CB-CG1 3.9Å; C83-C98 HydrophobicContact CB-CB 3.98Å; C83-C98 WeakPolarHBondContact CB-SG 3.02Å; C83-C98 VanDerWaalsContact SG-CA 3.54Å; C83-C98 WeakPolarHBondContact SG-CB 3.27Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.11Å; C83-L101 HydrophobicContact CB-CD1 3.61Å
84R97Very high94.5Very high121 Ų12154.2 Ų54.246%0.45727%0.265SS..BIsolated β-bridgetrans-119.2129175.8-176.5172.6-69.6164.90.7112.1Q90 N92 V96 A97 C98R84-Q90 PolarHBondContact NH2-O 2.94Å; R84-N92 HydrophobicContact CB-CB 4.04Å; R84-V96 PolarHBondContact N-O 3.42Å; R84-A97 CarbonylContact O-C 3.47Å; R84-A97 WeakPolarHBondContact O-CA 3.28Å; R84-C98 PolarHBondContact N-SG 2.63Å; R84-C98 PolarHBondContact O-N 3.2Å
85N94.7Very high94.4Very high51 Ų5161.4 Ų61.427%0.27330%0.298SS..  trans-112.420.8174.870.2-1.3000113.1Y72 K87 Q90 C98Y72-N85 HydrophobicContact CE2-CB 4.39Å; Y72-N85 PolarHBondContact OH-ND2 3.43Å; N85-K87 WeakPolarHBondContact OD1-CG 3.39Å; N85-Q90 PolarHBondContact OD1-NE2 3.19Å; N85-Q90 PolarHBondContact OD1-OE1 3.18Å; N85-C98 HydrophobicContact CB-CB 4.02Å
86G87.9Confident94.4Very high70 Ų7062.1 Ų62.172%0.72230%0.303SS*.SBendtrans92.5-5.7176.300000114.9
87K84.1Confident94.3Very high111 Ų11164 Ų6448%0.48332%0.32SS..  trans-72.8148.1172-63.9-177.6-176.6-1760111.1G68 N85 Q90G68-K87 PolarHBondContact O-NZ 2.97Å; N85-K87 WeakPolarHBondContact OD1-CG 3.39Å; K87-Q90 HydrophobicContact CB-CG 4.29Å; K87-Q90 PolarHBondContact O-OE1 2.86Å
88K78.5Confident94.3Very high181 Ų18164.1 Ų64.179%0.78732%0.32SS*.THydrogen-bonded Turntrans-67.6154.9174.8-65.5-176.4-179.7178.70110.5Q90K88-Q90 VanDerWaalsContact C-N 3.3Å; K88-Q90 PolarHBondContact O-N 3.3Å
89H83Confident94.2Very high184 Ų18467.4 Ų67.485%0.85234%0.344SS*.THydrogen-bonded Turntrans68.310.4174.8-48.7-73.2000117.4
90Q87.9Confident94.1Very high16 Ų1668.4 Ų68.48%0.07535%0.352CS..  trans-74.5129.4171.8-63.8179.7-44.500111.5S79 R84 N85 K87 K88 N92S79-Q90 WeakPolarHBondContact O-CB 3.33Å; S79-Q90 VanDerWaalsContact O-CD 3.23Å; S79-Q90 WeakPolarHBondContact O-CG 3.29Å; S79-Q90 PolarHBondContact O-NE2 3.49Å; R84-Q90 PolarHBondContact NH2-O 2.94Å; N85-Q90 PolarHBondContact OD1-NE2 3.19Å; N85-Q90 PolarHBondContact OD1-OE1 3.18Å; K87-Q90 HydrophobicContact CB-CG 4.29Å; K87-Q90 PolarHBondContact O-OE1 2.86Å; K88-Q90 VanDerWaalsContact C-N 3.3Å; K88-Q90 PolarHBondContact O-N 3.3Å; Q90-N92 PolarHBondContact O-N 3.44Å
91K95.3Very high94.2Very high123 Ų12363.3 Ų63.354%0.53533%0.33SS..  trans-66.9-38.4-175.3-59.9-177.1-174.6174.60112.4F80 H93F80-K91 PolarHBondContact O-N 3.33Å; K91-H93 VanDerWaalsContact CD-NE2 3.33Å; K91-H93 WeakPolarHBondContact CD-NE2 3.37Å
92N96.9Very high94.1Very high16 Ų1662.9 Ų62.99%0.08633%0.328CS..  trans53.352.1178.9-16819.4000113.1T81 W82 C83 R84 Q90 C94 H95 V96T81-N92 PolarHBondContact O-N 2.96Å; T81-N92 VanDerWaalsContact O-N 3.1Å; W82-N92 CarbonylContact O-C 3.46Å; W82-N92 PolarHBondContact O-OD1 3.4Å; C83-N92 WeakPolarHBondContact CA-OD1 3.31Å; R84-N92 HydrophobicContact CB-CB 4.04Å; Q90-N92 PolarHBondContact O-N 3.44Å; N92-C94 PolarHBondContact O-N 2.9Å; N92-H95 PolarHBondContact O-N 2.76Å; N92-H95 PolarHBondContact O-ND1 3.01Å; N92-H95 PolarHBondContact OD1-N 3.45Å; N92-V96 PolarHBondContact ND2-N 2.93Å; N92-V96 PolarHBondContact OD1-N 3.35Å; N92-V96 PolarHBondContact OD1-O 3.17Å
93H98Very high93.9Very high66 Ų6663.9 Ų63.931%0.30634%0.335SS..THydrogen-bonded Turntrans-59.2-27.5-177.6-77.5-74000113.3T81 W82 K91 H95 K115T81-H93 PolarHBondContact O-CD2 2.76Å; T81-H93 PolarHBondContact O-N 3.44Å; W82-H93 HydrophobicContact CE3-CB 3.6Å; W82-H93 HydrophobicContact CZ3-CB 3.77Å; W82-H93 PolarHBondContact O-N 2.02Å; K91-H93 VanDerWaalsContact CD-NE2 3.33Å; K91-H93 WeakPolarHBondContact CD-NE2 3.37Å; H93-H95 VanDerWaalsContact C-N 3.32Å; H93-K115 VanDerWaalsContact O-CE 3.28Å; H93-K115 WeakPolarHBondContact O-CE 3.35Å; H93-K115 PolarHBondContact O-NZ 2.71Å
94C98.5Very high93.6Very high22 Ų2266 Ų6615%0.14935%0.347CS..THydrogen-bonded Turntrans-84-3.9175.5-65.50000114W82 N92 V96 C112W82-C94 VanDerWaalsContact O-CB 3.26Å; W82-C94 WeakPolarHBondContact O-CB 3.41Å; W82-C94 PolarHBondContact O-N 2.85Å; N92-C94 PolarHBondContact O-N 2.9Å; C94-V96 VanDerWaalsContact C-N 3.28Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.7Å; C94-V96 PolarHBondContact O-N 3.08Å; C94-C112 HydrophobicContact CB-CB 3.67Å; C94-C112 WeakPolarHBondContact CB-SG 3.49Å; C94-C112 WeakPolarHBondContact SG-CA 3.33Å; C94-C112 WeakPolarHBondContact SG-CB 3.47Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 2.95Å
95H97.1Very high93.5Very high152 Ų15265.1 Ų65.170%0.70435%0.351SS*.  trans55.341.3-177.9-53.9-59.8000113.4N92 H93N92-H95 PolarHBondContact O-N 2.76Å; N92-H95 PolarHBondContact O-ND1 3.01Å; N92-H95 PolarHBondContact OD1-N 3.45Å; H93-H95 VanDerWaalsContact C-N 3.32Å
96V97.7Very high93.6Very high17 Ų1762.9 Ų62.910%0.10334%0.339CS..  trans-135146.7-171.3720000111.6C83 R84 N92 C94 A100 L101 D108C83-V96 HydrophobicContact CB-CG1 3.9Å; R84-V96 PolarHBondContact N-O 3.42Å; N92-V96 PolarHBondContact ND2-N 2.93Å; N92-V96 PolarHBondContact OD1-N 3.35Å; N92-V96 PolarHBondContact OD1-O 3.17Å; C94-V96 VanDerWaalsContact C-N 3.28Å; C94-V96 HydrophobicContact CB-CB 4.48Å; C94-V96 HydrophobicContact CB-CG1 3.7Å; C94-V96 PolarHBondContact O-N 3.08Å; V96-A100 HydrophobicContact CG2-CB 3.79Å; V96-L101 HydrophobicContact CG1-CD1 4.25Å; V96-L101 HydrophobicContact CG1-CD2 3.95Å; V96-L101 HydrophobicContact CG1-CG 4.29Å; V96-L101 HydrophobicContact CG2-CD2 4.15Å; V96-D108 HydrophobicContact CG2-CB 4.1Å
97A97.5Very high94.1Very high47 Ų4763.1 Ų63.139%0.38833%0.327SS..BIsolated β-bridgetrans-71.4137.1168.800000109.6R84 S99 A100R84-A97 CarbonylContact O-C 3.47Å; R84-A97 WeakPolarHBondContact O-CA 3.28Å; A97-S99 PolarHBondContact O-N 2.92Å; A97-A100 WeakPolarHBondContact O-CB 3.49Å; A97-A100 PolarHBondContact O-N 3.05Å
98C97.9Very high94.8Very high1 Ų161.4 Ų61.41%0.00732%0.323CS..G310 helixtrans-59.9-29.4177.7-61.70000112.2Y72 S79 C83 R84 N85 A100 L101Y72-C98 HydrophobicContact CD1-CB 3.97Å; Y72-C98 HydrophobicContact CD2-CB 3.54Å; Y72-C98 HydrophobicContact CE1-CB 4.06Å; Y72-C98 HydrophobicContact CE2-CB 3.6Å; Y72-C98 HydrophobicContact CG-CB 3.72Å; S79-C98 VanDerWaalsContact CB-SG 3.5Å; C83-C98 HydrophobicContact CB-CB 3.98Å; C83-C98 WeakPolarHBondContact CB-SG 3.02Å; C83-C98 VanDerWaalsContact SG-CA 3.54Å; C83-C98 WeakPolarHBondContact SG-CB 3.27Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.11Å; R84-C98 PolarHBondContact N-SG 2.63Å; R84-C98 PolarHBondContact O-N 3.2Å; N85-C98 HydrophobicContact CB-CB 4.02Å; C98-A100 PolarHBondContact O-N 3.46Å; C98-L101 WeakPolarHBondContact O-CB 3.22Å; C98-L101 PolarHBondContact O-N 3.35Å
99S96.1Very high95.8Very high84 Ų8452.9 Ų52.959%0.58729%0.286SS*.G310 helixtrans-64.1-22174.158.90000114.2A97 L101 T102 T103A97-S99 PolarHBondContact O-N 2.92Å; S99-L101 VanDerWaalsContact C-N 3.27Å; S99-T102 PolarHBondContact O-OG1 3.12Å; S99-T103 WeakPolarHBondContact O-CG2 3.27Å
100A96.6Very high96.5Very high21 Ų2144.5 Ų44.517%0.17425%0.248CC..G310 helixtrans-76.5-19.9173.900000111.9V96 A97 C98 T102 T103 D108V96-A100 HydrophobicContact CG2-CB 3.79Å; A97-A100 WeakPolarHBondContact O-CB 3.49Å; A97-A100 PolarHBondContact O-N 3.05Å; C98-A100 PolarHBondContact O-N 3.46Å; A100-T102 VanDerWaalsContact C-N 3.34Å; A100-T103 PolarHBondContact O-OG1 3.09Å; A100-D108 HydrophobicContact CB-CB 4.42Å
101L98Very high97Very high2 Ų248.8 Ų48.81%0.0127%0.27CS..THydrogen-bonded Turntrans-84.1-12.3179.7-50.7-174.6000112.9G73 I77 C83 V96 C98 S99 D108 A109G73-L101 WeakPolarHBondContact CA-O 3.46Å; I77-L101 HydrophobicContact CB-CD1 3.75Å; I77-L101 HydrophobicContact CD1-CD1 4.07Å; I77-L101 HydrophobicContact CG2-CD1 3.59Å; C83-L101 HydrophobicContact CB-CD1 3.61Å; V96-L101 HydrophobicContact CG1-CD1 4.25Å; V96-L101 HydrophobicContact CG1-CD2 3.95Å; V96-L101 HydrophobicContact CG1-CG 4.29Å; V96-L101 HydrophobicContact CG2-CD2 4.15Å; C98-L101 WeakPolarHBondContact O-CB 3.22Å; C98-L101 PolarHBondContact O-N 3.35Å; S99-L101 VanDerWaalsContact C-N 3.27Å; L101-D108 HydrophobicContact CD2-CB 4.07Å; L101-A109 HydrophobicContact CD2-CB 4.37Å
102T97.2Very high97.2Very high22 Ų2243.1 Ų43.114%0.13525%0.246CC..THydrogen-bonded Turntrans-101.110.7-179.852.60000114.2T59 S60 E62 Y72 S99 A100T59-T102 CarbonylContact O-C 3.55Å; T59-T102 WeakPolarHBondContact O-CA 3.35Å; S60-T102 PolarHBondContact OG-O 3.02Å; S60-T102 VanDerWaalsContact OG-O 3.08Å; E62-T102 HydrophobicContact CG-CG2 4.33Å; Y72-T102 HydrophobicContact CD1-CG2 3.77Å; Y72-T102 HydrophobicContact CG-CG2 4.45Å; S99-T102 PolarHBondContact O-OG1 3.12Å; A100-T102 VanDerWaalsContact C-N 3.34Å
103T94.6Very high97.3Very high35 Ų3542.4 Ų42.422%0.21524%0.242CC..SBendtrans-89.9166.5-179.182.50000112.5A17 S99 A100 D105A17-T103 HydrophobicContact CB-CG2 4.45Å; S99-T103 WeakPolarHBondContact O-CG2 3.27Å; A100-T103 PolarHBondContact O-OG1 3.09Å; T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 PolarHBondContact O-N 3.25Å; T103-D105 PolarHBondContact OG1-N 3.2Å; T103-D105 PolarHBondContact OG1-O 3.1Å; T103-D105 VanDerWaalsContact OG1-O 3.07Å
104D91.9Very high97.3Very high45 Ų4541 Ų4124%0.24124%0.235CC..SBendtrans-68-25174.3-111.129.8000114.4E18 K20 Y22 L106E18-D104 VanDerWaalsContact O-OD1 3.07Å; K20-D104 WeakPolarHBondContact CB-OD1 3.38Å; K20-D104 WeakPolarHBondContact CD-OD1 3.39Å; K20-D104 WeakPolarHBondContact CD-OD2 3.36Å; K20-D104 IonicContact NZ-OD2 2.94Å; K20-D104 PolarHBondContact NZ-OD2 3.36Å; Y22-D104 PolarHBondContact OH-O 2.95Å; D104-L106 PolarHBondContact O-N 3.49Å
105D94.5Very high97.3Very high102 Ų10242.9 Ų42.955%0.54524%0.241SC..  trans-82.9105.5172.1-173.1-10.4000109.4T103 T107T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 PolarHBondContact O-N 3.25Å; T103-D105 PolarHBondContact OG1-N 3.2Å; T103-D105 PolarHBondContact OG1-O 3.1Å; T103-D105 VanDerWaalsContact OG1-O 3.07Å; D105-T107 PolarHBondContact O-N 2.88Å; D105-T107 WeakPolarHBondContact OD1-CB 3.4Å; D105-T107 PolarHBondContact OD1-N 3.27Å; D105-T107 PolarHBondContact OD1-OG1 3.09Å
106L97.3Very high97.4Very high4 Ų435.6 Ų35.62%0.02121%0.207CC..  trans-76.62.9-177.8-62.3-175.3000113.7Y22 L27 V30 F31 T59 I74 D104 D108 A109 I110Y22-L106 HydrophobicContact CE2-CD1 4.12Å; Y22-L106 HydrophobicContact CE2-CG 4.36Å; L27-L106 HydrophobicContact CD1-CD1 3.58Å; V30-L106 HydrophobicContact CG1-CD1 4.26Å; F31-L106 HydrophobicContact CE1-CD1 4.32Å; T59-L106 HydrophobicContact CG2-CD2 3.7Å; I74-L106 HydrophobicContact CB-CD2 4.4Å; I74-L106 HydrophobicContact CD1-CD1 4.11Å; I74-L106 HydrophobicContact CG2-CD1 4.5Å; I74-L106 HydrophobicContact CG2-CD2 3.79Å; D104-L106 PolarHBondContact O-N 3.49Å; L106-D108 PolarHBondContact O-N 3.27Å; L106-A109 PolarHBondContact O-N 3.34Å; L106-I110 HydrophobicContact CB-CD1 3.74Å; L106-I110 HydrophobicContact CB-CG1 4.08Å; L106-I110 VanDerWaalsContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CB 3.42Å; L106-I110 WeakPolarHBondContact O-CG1 3.43Å; L106-I110 PolarHBondContact O-N 3.44Å
107T98.1Very high97.5Very high75 Ų7535 Ų3546%0.4620%0.204SC..Hα-helixtrans-55.2-53.3-174.1-62.40000112.3D105 I110 L111D105-T107 PolarHBondContact O-N 2.88Å; D105-T107 WeakPolarHBondContact OD1-CB 3.4Å; D105-T107 PolarHBondContact OD1-N 3.27Å; D105-T107 PolarHBondContact OD1-OG1 3.09Å; T107-I110 PolarHBondContact O-N 3.19Å; T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 WeakPolarHBondContact O-CG 3.06Å; T107-L111 PolarHBondContact O-N 3.32Å
108D98.3Very high97.5Very high74 Ų7440.4 Ų40.440%0.39622%0.218SC..Hα-helixtrans-66.3-40.6-179.8-75.4-34.2000112.3V96 A100 L101 L106 I110 L111 C112V96-D108 HydrophobicContact CG2-CB 4.1Å; A100-D108 HydrophobicContact CB-CB 4.42Å; L101-D108 HydrophobicContact CD2-CB 4.07Å; L106-D108 PolarHBondContact O-N 3.27Å; D108-I110 PolarHBondContact O-N 3.21Å; D108-L111 PolarHBondContact O-N 2.97Å; D108-C112 WeakPolarHBondContact O-CB 3.35Å; D108-C112 PolarHBondContact O-N 2.94Å
109A98.6Very high97.5Very high2 Ų245.1 Ų45.12%0.01724%0.24CC..Hα-helixtrans-60.6-44175.800000111.8F75 L101 L106 C112 A113F75-A109 HydrophobicContact CD2-CB 3.86Å; F75-A109 WeakPolarHBondContact CD2-O 3.31Å; F75-A109 HydrophobicContact CE2-CB 4.04Å; L101-A109 HydrophobicContact CD2-CB 4.37Å; L106-A109 PolarHBondContact O-N 3.34Å; A109-C112 PolarHBondContact O-N 3.48Å; A109-A113 WeakPolarHBondContact O-CB 3.28Å; A109-A113 PolarHBondContact O-N 3.01Å
110I98.9Very high97.6Very high9 Ų943.7 Ų43.75%0.04623%0.228CC..Hα-helixtrans-68.8-44179.5-70.4168.8000110.9V30 F31 A34 L36 F75 L106 T107 D108 C112 A113 K114V30-I110 HydrophobicContact CG1-CD1 4.14Å; F31-I110 HydrophobicContact CD1-CD1 4.28Å; F31-I110 HydrophobicContact CE1-CD1 4.43Å; A34-I110 HydrophobicContact CB-CD1 3.75Å; A34-I110 HydrophobicContact CB-CG2 4Å; L36-I110 HydrophobicContact CD1-CD1 4.44Å; L36-I110 HydrophobicContact CD1-CG1 4.18Å; L36-I110 HydrophobicContact CD1-CG2 4.02Å; L36-I110 HydrophobicContact CD2-CG2 4.07Å; L36-I110 HydrophobicContact CG-CG2 4.05Å; F75-I110 HydrophobicContact CE2-CB 4.45Å; F75-I110 HydrophobicContact CE2-CG1 3.76Å; F75-I110 HydrophobicContact CZ-CG1 3.99Å; L106-I110 HydrophobicContact CB-CD1 3.74Å; L106-I110 HydrophobicContact CB-CG1 4.08Å; L106-I110 VanDerWaalsContact O-CB 3.31Å; L106-I110 WeakPolarHBondContact O-CB 3.42Å; L106-I110 WeakPolarHBondContact O-CG1 3.43Å; L106-I110 PolarHBondContact O-N 3.44Å; T107-I110 PolarHBondContact O-N 3.19Å; D108-I110 PolarHBondContact O-N 3.21Å; I110-C112 VanDerWaalsContact C-N 3.31Å; I110-C112 PolarHBondContact O-N 3.17Å; I110-A113 PolarHBondContact O-N 3.49Å; I110-K114 HydrophobicContact CG2-CD 4.33Å; I110-K114 HydrophobicContact CG2-CG 4.49Å; I110-K114 WeakPolarHBondContact O-CB 3.29Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.07Å
111L98.8Very high97.6Very high106 Ų10651.4 Ų51.456%0.55526%0.261SS*.Hα-helixtrans-60.9-42.7176.9-72.6174.5000111.4T107 D108 K114 K115T107-L111 HydrophobicContact CG2-CD1 4.12Å; T107-L111 WeakPolarHBondContact O-CG 3.06Å; T107-L111 PolarHBondContact O-N 3.32Å; D108-L111 PolarHBondContact O-N 2.97Å; L111-K114 PolarHBondContact O-N 3.3Å; L111-K115 PolarHBondContact O-N 2.74Å; L111-K115 VanDerWaalsContact O-N 3.08Å
112C98.8Very high97.6Very high4 Ų451.6 Ų51.63%0.02726%0.263CS..Hα-helixtrans-67.2-44.9176.6-172.40000111.8I77 C94 D108 A109 I110 K114 K115 I116I77-C112 HydrophobicContact CD1-CB 3.91Å; C94-C112 HydrophobicContact CB-CB 3.67Å; C94-C112 WeakPolarHBondContact CB-SG 3.49Å; C94-C112 WeakPolarHBondContact SG-CA 3.33Å; C94-C112 WeakPolarHBondContact SG-CB 3.47Å; C94-C112 CovalentContact SG-SG 2.03Å; C94-C112 PolarHBondContact SG-SG 2.95Å; D108-C112 WeakPolarHBondContact O-CB 3.35Å; D108-C112 PolarHBondContact O-N 2.94Å; A109-C112 PolarHBondContact O-N 3.48Å; I110-C112 VanDerWaalsContact C-N 3.31Å; I110-C112 PolarHBondContact O-N 3.17Å; C112-K114 VanDerWaalsContact C-N 3.32Å; C112-K114 PolarHBondContact O-N 3.46Å; C112-K115 WeakPolarHBondContact O-CA 3.43Å; C112-K115 WeakPolarHBondContact O-CB 3Å; C112-K115 PolarHBondContact O-N 2.76Å; C112-I116 WeakPolarHBondContact O-CG1 3.09Å; C112-I116 PolarHBondContact O-N 2.85Å
113A98.9Very high97.6Very high0 Ų050.6 Ų50.60%026%0.257CS..Hα-helixtrans-60.7-38.8176.100000112.7W47 F75 A109 I110 K115 I116 V117 W126W47-A113 HydrophobicContact CZ3-CB 4.03Å; F75-A113 HydrophobicContact CB-CB 4.5Å; F75-A113 HydrophobicContact CD2-CB 3.71Å; F75-A113 HydrophobicContact CE2-CB 3.99Å; F75-A113 HydrophobicContact CG-CB 4.06Å; A109-A113 WeakPolarHBondContact O-CB 3.28Å; A109-A113 PolarHBondContact O-N 3.01Å; I110-A113 PolarHBondContact O-N 3.49Å; A113-K115 VanDerWaalsContact C-N 3.31Å; A113-K115 PolarHBondContact O-N 2.92Å; A113-I116 PolarHBondContact O-N 3.23Å; A113-V117 PolarHBondContact O-N 3.3Å; A113-W126 HydrophobicContact CB-CH2 4.23Å; A113-W126 HydrophobicContact CB-CZ2 3.95Å
114K98.9Very high97.7Very high36 Ų3652.5 Ų52.516%0.15727%0.266CS..Hα-helixtrans-60.4-39.8171.8-81-174.4167.4-173.50112.5A34 G35 L36 Y39 I110 L111 C112 K118A34-K114 PolarHBondContact O-NZ 2.94Å; G35-K114 WeakPolarHBondContact O-CE 3.43Å; G35-K114 PolarHBondContact O-NZ 3.01Å; L36-K114 HydrophobicContact CD2-CD 4.21Å; L36-K114 VanDerWaalsContact CD2-CE 3.44Å; L36-K114 HydrophobicContact CD2-CG 3.73Å; Y39-K114 HydrophobicContact CD1-CG 3.95Å; Y39-K114 HydrophobicContact CD2-CD 4.04Å; Y39-K114 HydrophobicContact CD2-CG 4.23Å; Y39-K114 HydrophobicContact CE1-CB 3.74Å; Y39-K114 HydrophobicContact CE1-CD 4.44Å; Y39-K114 HydrophobicContact CE1-CG 3.66Å; Y39-K114 WeakPolarHBondContact CE1-O 3.37Å; Y39-K114 HydrophobicContact CE2-CB 4.25Å; Y39-K114 HydrophobicContact CE2-CD 3.82Å; Y39-K114 HydrophobicContact CE2-CG 3.96Å; Y39-K114 HydrophobicContact CG-CD 4.43Å; Y39-K114 HydrophobicContact CG-CG 4.22Å; Y39-K114 PolarHBondContact OH-O 2.98Å; I110-K114 HydrophobicContact CG2-CD 4.33Å; I110-K114 HydrophobicContact CG2-CG 4.49Å; I110-K114 WeakPolarHBondContact O-CB 3.29Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.07Å; L111-K114 PolarHBondContact O-N 3.3Å; C112-K114 VanDerWaalsContact C-N 3.32Å; C112-K114 PolarHBondContact O-N 3.46Å; K114-K118 WeakPolarHBondContact O-CB 3.39Å; K114-K118 PolarHBondContact O-N 3.04Å; K114-K118 VanDerWaalsContact O-N 3.15Å
115K98.8Very high98Very high62 Ų6253 Ų5327%0.2727%0.265SS..Hα-helixtrans-65.9-45.1175.8-173.6171.1-173.71630111.3W82 H93 L111 C112 A113 K118 E119W82-K115 HydrophobicContact CZ3-CG 4.37Å; H93-K115 VanDerWaalsContact O-CE 3.28Å; H93-K115 WeakPolarHBondContact O-CE 3.35Å; H93-K115 PolarHBondContact O-NZ 2.71Å; L111-K115 PolarHBondContact O-N 2.74Å; L111-K115 VanDerWaalsContact O-N 3.08Å; C112-K115 WeakPolarHBondContact O-CA 3.43Å; C112-K115 WeakPolarHBondContact O-CB 3Å; C112-K115 PolarHBondContact O-N 2.76Å; A113-K115 VanDerWaalsContact C-N 3.31Å; A113-K115 PolarHBondContact O-N 2.92Å; K115-K118 PolarHBondContact O-N 2.9Å; K115-E119 WeakPolarHBondContact CE-OE1 2.99Å; K115-E119 HydrophobicContact CG-CG 4.38Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 PolarHBondContact O-N 2.92Å
116I98.8Very high98.2Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-54.6-55.9174.7-64.6173.5000109.8I77 W82 C112 A113 K118 E119 T120 Y125 W126I77-I116 HydrophobicContact CG1-CD1 4.03Å; I77-I116 HydrophobicContact CG2-CD1 4.34Å; W82-I116 HydrophobicContact CD2-CD1 3.9Å; W82-I116 HydrophobicContact CD2-CG1 3.52Å; W82-I116 HydrophobicContact CE3-CD1 4.45Å; W82-I116 HydrophobicContact CE3-CG1 3.69Å; W82-I116 HydrophobicContact CG-CD1 3.9Å; W82-I116 HydrophobicContact CG-CG1 4.08Å; W82-I116 HydrophobicContact CH2-CB 4.39Å; W82-I116 HydrophobicContact CH2-CG1 3.95Å; W82-I116 HydrophobicContact CZ2-CB 4.26Å; W82-I116 HydrophobicContact CZ2-CG1 3.76Å; W82-I116 HydrophobicContact CZ2-CG2 4.17Å; W82-I116 HydrophobicContact CZ3-CG1 3.91Å; C112-I116 WeakPolarHBondContact O-CG1 3.09Å; C112-I116 PolarHBondContact O-N 2.85Å; A113-I116 PolarHBondContact O-N 3.23Å; I116-K118 PolarHBondContact O-N 3.42Å; I116-E119 PolarHBondContact O-N 2.86Å; I116-E119 VanDerWaalsContact O-N 3.11Å; I116-T120 HydrophobicContact CG2-CG2 4.2Å; I116-T120 PolarHBondContact O-N 2.9Å; I116-T120 PolarHBondContact O-OG1 3.18Å; I116-Y125 HydrophobicContact CD1-CD1 4.26Å; I116-Y125 HydrophobicContact CD1-CE1 4.01Å; I116-Y125 HydrophobicContact CG2-CD1 3.73Å; I116-Y125 HydrophobicContact CG2-CD2 4.2Å; I116-Y125 HydrophobicContact CG2-CE1 4.5Å; I116-Y125 HydrophobicContact CG2-CG 3.57Å; I116-W126 HydrophobicContact CB-CH2 3.83Å; I116-W126 HydrophobicContact CB-CZ2 4.24Å; I116-W126 HydrophobicContact CD1-CZ2 4.14Å; I116-W126 HydrophobicContact CG2-CH2 3.62Å; I116-W126 HydrophobicContact CG2-CZ2 4.06Å; I116-W126 HydrophobicContact CG2-CZ3 4.04Å
117V98.7Very high98.3Very high5 Ų553.7 Ų53.73%0.0326%0.264CS..Hα-helixtrans-53.8-42.5179.5167.10000112.4Y39 F42 W47 A113 Q121 G122 M123 W126Y39-V117 HydrophobicContact CD1-CG1 4.33Å; Y39-V117 HydrophobicContact CE1-CB 4.18Å; Y39-V117 HydrophobicContact CE1-CG1 4.1Å; F42-V117 HydrophobicContact CD2-CG1 4.23Å; F42-V117 HydrophobicContact CE2-CG1 4.13Å; W47-V117 HydrophobicContact CH2-CB 4.43Å; W47-V117 HydrophobicContact CH2-CG2 3.47Å; W47-V117 VanDerWaalsContact CH2-CG2 3.47Å; W47-V117 HydrophobicContact CZ2-CG2 3.9Å; W47-V117 HydrophobicContact CZ3-CG2 4.42Å; A113-V117 PolarHBondContact O-N 3.3Å; V117-Q121 WeakPolarHBondContact O-CA 3.37Å; V117-Q121 PolarHBondContact O-N 3.02Å; V117-Q121 VanDerWaalsContact O-N 3.08Å; V117-G122 PolarHBondContact O-N 3.35Å; V117-M123 HydrophobicContact CG2-CG 4.03Å; V117-W126 HydrophobicContact CG2-CH2 3.77Å; V117-W126 HydrophobicContact CG2-CZ3 3.53Å
118K98.4Very high98.3Very high160 Ų16050.8 Ų50.870%0.69625%0.249SC*.Hα-helixtrans-66.1-45.7179.8-177-179.6177.7-1780111.9K114 K115 I116K114-K118 WeakPolarHBondContact O-CB 3.39Å; K114-K118 PolarHBondContact O-N 3.04Å; K114-K118 VanDerWaalsContact O-N 3.15Å; K115-K118 PolarHBondContact O-N 2.9Å; I116-K118 PolarHBondContact O-N 3.42Å
119E98.2Very high98.3Very high99 Ų9947.7 Ų47.746%0.46323%0.232SC..Hα-helixtrans-79.8-31.3-174.8-70.2-173.2-168.500113.1W82 K115 I116 Q121W82-E119 HydrophobicContact CH2-CB 4.09Å; K115-E119 WeakPolarHBondContact CE-OE1 2.99Å; K115-E119 HydrophobicContact CG-CG 4.38Å; K115-E119 IonicContact NZ-OE1 2.73Å; K115-E119 PolarHBondContact O-N 2.92Å; I116-E119 PolarHBondContact O-N 2.86Å; I116-E119 VanDerWaalsContact O-N 3.11Å; E119-Q121 VanDerWaalsContact C-N 3.34Å
120T97.1Very high98.3Very high54 Ų5452 Ų5233%0.33125%0.251SS..THydrogen-bonded Turntrans-92.34.7175.465.20000113.2W82 I116 G122W82-T120 HydrophobicContact CZ2-CG2 4.17Å; I116-T120 HydrophobicContact CG2-CG2 4.2Å; I116-T120 PolarHBondContact O-N 2.9Å; I116-T120 PolarHBondContact O-OG1 3.18Å; T120-G122 PolarHBondContact O-N 2.85Å; T120-G122 PolarHBondContact OG1-O 3.27Å
121Q96.6Very high98.2Very high184 Ų18459.7 Ų59.786%0.8628%0.283SS*.THydrogen-bonded Turntrans52.140179.4-58.6-177.8-38.300113.4V117 E119V117-Q121 WeakPolarHBondContact O-CA 3.37Å; V117-Q121 PolarHBondContact O-N 3.02Å; V117-Q121 VanDerWaalsContact O-N 3.08Å; E119-Q121 VanDerWaalsContact C-N 3.34Å
122G97.6Very high98.2Very high6 Ų656.5 Ų56.56%0.06227%0.267CS..SBendtrans148.8-171.4-178.500000114.1V117 T120V117-G122 PolarHBondContact O-N 3.35Å; T120-G122 PolarHBondContact O-N 2.85Å; T120-G122 PolarHBondContact OG1-O 3.27Å
123M98.3Very high98.2Very high1 Ų156.5 Ų56.51%0.00527%0.267CS..SBendtrans-95.511-178.5-65.1-175.480.300114.1F42 N46 W47 M50 V117 Y125 W126 W129F42-M123 HydrophobicContact CB-SD 3.9Å; F42-M123 HydrophobicContact CD1-CG 3.84Å; F42-M123 HydrophobicContact CD1-SD 3.42Å; F42-M123 WeakPolarHBondContact CD1-SD 3.36Å; F42-M123 HydrophobicContact CD2-CG 3.87Å; F42-M123 HydrophobicContact CD2-SD 4.05Å; F42-M123 HydrophobicContact CE1-CB 4.14Å; F42-M123 HydrophobicContact CE1-CG 3.77Å; F42-M123 HydrophobicContact CE1-SD 3.93Å; F42-M123 HydrophobicContact CE2-CG 3.82Å; F42-M123 HydrophobicContact CG-CG 3.9Å; F42-M123 HydrophobicContact CG-SD 3.49Å; F42-M123 WeakPolarHBondContact CG-SD 3.45Å; F42-M123 HydrophobicContact CZ-CB 4.18Å; F42-M123 HydrophobicContact CZ-CG 3.77Å; F42-M123 HydrophobicContact CZ-SD 4.46Å; N46-M123 HydrophobicContact CB-SD 4.03Å; W47-M123 HydrophobicContact CD2-CE 4.33Å; W47-M123 HydrophobicContact CE3-CE 4.18Å; W47-M123 HydrophobicContact CZ3-CE 4.44Å; M50-M123 HydrophobicContact CB-CE 3.48Å; M50-M123 VanDerWaalsContact CB-CE 3.48Å; M50-M123 HydrophobicContact CE-CE 3.78Å; M50-M123 HydrophobicContact CG-CE 3.75Å; V117-M123 HydrophobicContact CG2-CG 4.03Å; M123-Y125 PolarHBondContact O-N 3.24Å; M123-Y125 VanDerWaalsContact O-N 3.1Å; M123-W126 HydrophobicContact CB-CE3 3.87Å; M123-W126 HydrophobicContact CB-CZ3 4.21Å; M123-W126 HydrophobicContact CE-CE3 4.27Å; M123-W126 HydrophobicContact CG-CE3 4.18Å; M123-W126 HydrophobicContact CG-CZ3 4.1Å; M123-W126 PolarHBondContact O-N 3.1Å; M123-W129 HydrophobicContact CB-CD2 3.52Å; M123-W129 HydrophobicContact CB-CE3 3.48Å; M123-W129 VanDerWaalsContact CB-CE3 3.48Å; M123-W129 HydrophobicContact CB-CG 4.2Å; M123-W129 HydrophobicContact CB-CH2 3.94Å; M123-W129 HydrophobicContact CB-CZ2 3.94Å; M123-W129 HydrophobicContact CB-CZ3 3.71Å; M123-W129 HydrophobicContact CE-CG 4.21Å; M123-W129 HydrophobicContact SD-CD2 4.37Å; M123-W129 HydrophobicContact SD-CZ2 4.29Å
124N97.2Very high98.1Very high74 Ų7459.9 Ų59.940%0.39628%0.283SS..THydrogen-bonded Turntrans-66-12-178-81.5-34.1000115.3W126 Q127N124-W126 VanDerWaalsContact C-N 3.28Å; N124-Q127 PolarHBondContact O-NE2 3Å
125Y98.3Very high97.9Very high56 Ų5664.3 Ų64.322%0.2232%0.318CS..THydrogen-bonded Turntrans-59.4-40.9168.7169.3-95.2000111.3Q76 N78 W82 I116 M123 Q127Q76-Y125 PolarHBondContact O-OH 3.05Å; Q76-Y125 VanDerWaalsContact O-OH 3.08Å; N78-Y125 VanDerWaalsContact CB-OH 3.28Å; N78-Y125 WeakPolarHBondContact CB-OH 3.48Å; N78-Y125 PolarHBondContact N-OH 3.25Å; W82-Y125 AromaticContact CD1-CE2 3.61Å; W82-Y125 AromaticContact CD1-CZ 3.82Å; W82-Y125 AromaticContact NE1-CD2 3.69Å; W82-Y125 AromaticContact NE1-CE2 3.22Å; W82-Y125 AromaticContact NE1-CZ 3.84Å; I116-Y125 HydrophobicContact CD1-CD1 4.26Å; I116-Y125 HydrophobicContact CD1-CE1 4.01Å; I116-Y125 HydrophobicContact CG2-CD1 3.73Å; I116-Y125 HydrophobicContact CG2-CD2 4.2Å; I116-Y125 HydrophobicContact CG2-CE1 4.5Å; I116-Y125 HydrophobicContact CG2-CG 3.57Å; M123-Y125 PolarHBondContact O-N 3.24Å; M123-Y125 VanDerWaalsContact O-N 3.1Å; Y125-Q127 PolarHBondContact O-N 3.18Å; Y125-Q127 PolarHBondContact O-NE2 3.33Å
126W98.6Very high97.7Very high2 Ų267.2 Ų67.21%0.00833%0.331CS..  trans-86105.7-176.9-67.5-71.7000111.6M50 E54 F75 A113 I116 V117 M123 N124 W129 K130M50-W126 HydrophobicContact CE-CD2 3.94Å; M50-W126 HydrophobicContact CE-CE3 4.32Å; M50-W126 HydrophobicContact CE-CG 4.47Å; M50-W126 HydrophobicContact CE-CH2 4.37Å; M50-W126 HydrophobicContact CE-CZ2 3.97Å; M50-W126 HydrophobicContact CG-CB 3.79Å; M50-W126 HydrophobicContact CG-CD2 3.89Å; M50-W126 HydrophobicContact CG-CE3 4.41Å; M50-W126 HydrophobicContact CG-CG 3.6Å; M50-W126 HydrophobicContact SD-CD2 3.92Å; M50-W126 HydrophobicContact SD-CG 3.82Å; E54-W126 HydrophobicContact CG-CB 4.24Å; E54-W126 HydrophobicContact CG-CG 4.22Å; E54-W126 WeakPolarHBondContact OE1-CA 3.06Å; E54-W126 VanDerWaalsContact OE1-CB 3.27Å; E54-W126 WeakPolarHBondContact OE1-CB 3.24Å; F75-W126 PolarHBondContact O-NE1 3.18Å; A113-W126 HydrophobicContact CB-CH2 4.23Å; A113-W126 HydrophobicContact CB-CZ2 3.95Å; I116-W126 HydrophobicContact CB-CH2 3.83Å; I116-W126 HydrophobicContact CB-CZ2 4.24Å; I116-W126 HydrophobicContact CD1-CZ2 4.14Å; I116-W126 HydrophobicContact CG2-CH2 3.62Å; I116-W126 HydrophobicContact CG2-CZ2 4.06Å; I116-W126 HydrophobicContact CG2-CZ3 4.04Å; V117-W126 HydrophobicContact CG2-CH2 3.77Å; V117-W126 HydrophobicContact CG2-CZ3 3.53Å; M123-W126 HydrophobicContact CB-CE3 3.87Å; M123-W126 HydrophobicContact CB-CZ3 4.21Å; M123-W126 HydrophobicContact CE-CE3 4.27Å; M123-W126 HydrophobicContact CG-CE3 4.18Å; M123-W126 HydrophobicContact CG-CZ3 4.1Å; M123-W126 PolarHBondContact O-N 3.1Å; N124-W126 VanDerWaalsContact C-N 3.28Å; W126-W129 HydrophobicContact CB-CB 3.8Å; W126-W129 PolarHBondContact O-N 3.47Å; W126-K130 WeakPolarHBondContact O-CB 3.21Å; W126-K130 PolarHBondContact O-N 2.97Å
127Q98.1Very high97.5Very high118 Ų11873.3 Ų73.355%0.55136%0.364SS*.Hα-helixtrans-70.9-32-177.4-60.9-47.3-58.600112.8E54 N124 Y125 K130 K131E54-Q127 PolarHBondContact OE1-N 3.38Å; N124-Q127 PolarHBondContact O-NE2 3Å; Y125-Q127 PolarHBondContact O-N 3.18Å; Y125-Q127 PolarHBondContact O-NE2 3.33Å; Q127-K130 PolarHBondContact O-N 2.85Å; Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 PolarHBondContact O-N 3.21Å
128G98.1Very high97.3Very high14 Ų1473.8 Ų73.814%0.14437%0.367CS..Hα-helixtrans-62.8-43.8172.200000111.4E54 N132E54-G128 WeakPolarHBondContact OE1-CA 3.19Å; E54-G128 PolarHBondContact OE1-N 2.04Å; G128-N132 WeakPolarHBondContact O-CB 3.41Å; G128-N132 PolarHBondContact O-N 3.08Å; G128-N132 PolarHBondContact O-ND2 2.78Å
129W98.6Very high97.1Very high10 Ų1068.8 Ų68.84%0.03835%0.352CS..Hα-helixtrans-61.9-50.7171.5176.784.7000111.8F42 N46 M50 E54 M123 W126 K131 N132 C133 E134F42-W129 HydrophobicContact CD1-CZ2 4.1Å; F42-W129 AromaticContact CE1-CH2 3.93Å; F42-W129 HydrophobicContact CE1-CH2 3.93Å; F42-W129 AromaticContact CE1-CZ2 3.7Å; F42-W129 HydrophobicContact CE1-CZ2 3.7Å; N46-W129 PolarHBondContact OD1-NE1 2.9Å; M50-W129 HydrophobicContact CB-CB 3.79Å; M50-W129 HydrophobicContact CB-CG 4Å; M50-W129 HydrophobicContact CG-CB 3.71Å; M50-W129 HydrophobicContact CG-CG 4.29Å; E54-W129 PolarHBondContact OE1-N 2.99Å; E54-W129 VanDerWaalsContact OE1-N 3.17Å; M123-W129 HydrophobicContact CB-CD2 3.52Å; M123-W129 HydrophobicContact CB-CE3 3.48Å; M123-W129 VanDerWaalsContact CB-CE3 3.48Å; M123-W129 HydrophobicContact CB-CG 4.2Å; M123-W129 HydrophobicContact CB-CH2 3.94Å; M123-W129 HydrophobicContact CB-CZ2 3.94Å; M123-W129 HydrophobicContact CB-CZ3 3.71Å; M123-W129 HydrophobicContact CE-CG 4.21Å; M123-W129 HydrophobicContact SD-CD2 4.37Å; M123-W129 HydrophobicContact SD-CZ2 4.29Å; W126-W129 HydrophobicContact CB-CB 3.8Å; W126-W129 PolarHBondContact O-N 3.47Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 3.28Å; W129-N132 PolarHBondContact O-N 3.08Å; W129-C133 HydrophobicContact CD2-CB 4.38Å; W129-C133 HydrophobicContact CG-CB 3.85Å; W129-C133 WeakPolarHBondContact O-CA 3.27Å; W129-C133 WeakPolarHBondContact O-CB 3.46Å; W129-C133 PolarHBondContact O-N 3.04Å; W129-E134 HydrophobicContact CE3-CB 4.4Å; W129-E134 HydrophobicContact CH2-CB 3.8Å; W129-E134 HydrophobicContact CH2-CG 3.76Å; W129-E134 HydrophobicContact CZ2-CB 4.23Å; W129-E134 HydrophobicContact CZ2-CG 4.49Å; W129-E134 HydrophobicContact CZ3-CB 3.89Å; W129-E134 HydrophobicContact CZ3-CG 4.04Å; W129-E134 PolarHBondContact O-N 2.98Å
130K98.2Very high96.9Very high93 Ų9367.8 Ų67.840%0.40435%0.35SS..Hα-helixtrans-56-46.6-177.1-171.5178.4-178.1177.40112W126 Q127 E134W126-K130 WeakPolarHBondContact O-CB 3.21Å; W126-K130 PolarHBondContact O-N 2.97Å; Q127-K130 PolarHBondContact O-N 2.85Å; K130-E134 WeakPolarHBondContact CG-OE2 3.25Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å
131K98.2Very high96.9Very high169 Ų16967.7 Ų67.774%0.73534%0.344SS*.Hα-helixtrans-68.7-36-178.9-178.6177.1177.3-178.90113.1Q127 W129Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 PolarHBondContact O-N 3.21Å; W129-K131 VanDerWaalsContact C-N 3.31Å; W129-K131 PolarHBondContact O-N 3.28Å
132N98.2Very high96.9Very high40 Ų4062 Ų6221%0.21432%0.316CS..Hα-helixtrans-113.1-20.3-164.8-60.4-74.5000115Y53 G128 W129 K136Y53-N132 HydrophobicContact CD1-CB 3.82Å; Y53-N132 WeakPolarHBondContact CD1-ND2 3.5Å; Y53-N132 HydrophobicContact CD2-CB 3.43Å; Y53-N132 VanDerWaalsContact CD2-CB 3.43Å; Y53-N132 HydrophobicContact CE1-CB 3.71Å; Y53-N132 VanDerWaalsContact CE1-CG 3.43Å; Y53-N132 HydrophobicContact CE2-CB 3.3Å; Y53-N132 HydrophobicContact CG-CB 3.68Å; Y53-N132 VanDerWaalsContact CZ-CB 3.44Å; G128-N132 WeakPolarHBondContact O-CB 3.41Å; G128-N132 PolarHBondContact O-N 3.08Å; G128-N132 PolarHBondContact O-ND2 2.78Å; W129-N132 PolarHBondContact O-N 3.08Å; N132-K136 VanDerWaalsContact O-CD 3.29Å; N132-K136 WeakPolarHBondContact O-CD 3.09Å; N132-K136 WeakPolarHBondContact O-CE 3.24Å; N132-K136 PolarHBondContact O-NZ 2.98Å
133C98.2Very high96.8Very high4 Ų469.1 Ų69.13%0.02734%0.341CS..THydrogen-bonded Turntrans-121.6-32.9-168.5-50.50000113.5C49 W129 S135 K136C49-C133 HydrophobicContact CB-CB 3.8Å; C49-C133 WeakPolarHBondContact CB-SG 3.17Å; C49-C133 WeakPolarHBondContact SG-CB 3.23Å; C49-C133 CovalentContact SG-SG 2.02Å; C49-C133 PolarHBondContact SG-SG 2.98Å; W129-C133 HydrophobicContact CD2-CB 4.38Å; W129-C133 HydrophobicContact CG-CB 3.85Å; W129-C133 WeakPolarHBondContact O-CA 3.27Å; W129-C133 WeakPolarHBondContact O-CB 3.46Å; W129-C133 PolarHBondContact O-N 3.04Å; C133-S135 PolarHBondContact O-N 3.35Å; C133-K136 PolarHBondContact O-N 2.87Å
134E97.5Very high96.7Very high71 Ų7172.9 Ų72.933%0.33238%0.38SS..THydrogen-bonded Turntrans-56.2134.8-176.8-174.4172.5-137.900111.4W129 K130 K136W129-E134 HydrophobicContact CE3-CB 4.4Å; W129-E134 HydrophobicContact CH2-CB 3.8Å; W129-E134 HydrophobicContact CH2-CG 3.76Å; W129-E134 HydrophobicContact CZ2-CB 4.23Å; W129-E134 HydrophobicContact CZ2-CG 4.49Å; W129-E134 HydrophobicContact CZ3-CB 3.89Å; W129-E134 HydrophobicContact CZ3-CG 4.04Å; W129-E134 PolarHBondContact O-N 2.98Å; K130-E134 WeakPolarHBondContact CG-OE2 3.25Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; E134-K136 PolarHBondContact O-N 3.01Å
135S94.2Very high96.7Very high129 Ų12969.5 Ų69.590%0.90236%0.362SS*.THydrogen-bonded Turntrans57.716.7179.5-56.20000115.8C133C133-S135 PolarHBondContact O-N 3.35Å
136K95Very high96.5Very high123 Ų12373.7 Ų73.754%0.53539%0.388SS..SBendtrans-104.3154.2173.6-59.5-173.5-164.9168.70111.1N132 C133 E134 S138N132-K136 VanDerWaalsContact O-CD 3.29Å; N132-K136 WeakPolarHBondContact O-CD 3.09Å; N132-K136 WeakPolarHBondContact O-CE 3.24Å; N132-K136 PolarHBondContact O-NZ 2.98Å; C133-K136 PolarHBondContact O-N 2.87Å; E134-K136 PolarHBondContact O-N 3.01Å; K136-S138 PolarHBondContact O-N 2.61Å
137D94.4Very high96.3Very high128 Ų12875 Ų7568%0.68440%0.397SS*.  trans-63.1125.2169.1-174.68000109.4S139D137-S139 WeakPolarHBondContact OD1-CB 3.37Å; D137-S139 PolarHBondContact OD1-N 2.72Å; D137-S139 PolarHBondContact OD1-OG 3.45Å; D137-S139 VanDerWaalsContact OD1-OG 3.04Å; D137-S139 PolarHBondContact OD2-OG 2.83Å
138S94.1Very high95.2Very high14 Ų1476.2 Ų76.210%0.09842%0.418CS..  trans-106.23.6-178.460.10000112.9T43 G45 N46 K136 D140 W141T43-S138 PolarHBondContact OG1-OG 2.86Å; G45-S138 WeakPolarHBondContact CA-O 3.18Å; N46-S138 PolarHBondContact ND2-OG 3.29Å; K136-S138 PolarHBondContact O-N 2.61Å; S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 PolarHBondContact O-N 2.8Å; S138-W141 WeakPolarHBondContact O-CB 3.46Å; S138-W141 PolarHBondContact O-N 3.04Å; S138-W141 VanDerWaalsContact O-N 3.13Å
139S93.9Very high95.1Very high56 Ų5679.3 Ų79.339%0.39243%0.431SS..G310 helixtrans-56.9-39.5-178.966.50000112.7D137 W141 K142 R143D137-S139 WeakPolarHBondContact OD1-CB 3.37Å; D137-S139 PolarHBondContact OD1-N 2.72Å; D137-S139 PolarHBondContact OD1-OG 3.45Å; D137-S139 VanDerWaalsContact OD1-OG 3.04Å; D137-S139 PolarHBondContact OD2-OG 2.83Å; S139-W141 PolarHBondContact O-N 2.72Å; S139-K142 PolarHBondContact O-N 2.88Å; S139-R143 PolarHBondContact O-N 3.25Å
140D95Very high94.9Very high78 Ų7882.9 Ų82.942%0.41745%0.452SS..G310 helixtrans-59.4-29.1179-86.410.1000113.3R24 S138 K142 R143R24-D140 PolarHBondContact NH1-O 2.92Å; R24-D140 VanDerWaalsContact NH1-O 3.11Å; S138-D140 VanDerWaalsContact C-N 3.27Å; S138-D140 PolarHBondContact O-N 2.8Å; D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 2.98Å; D140-R143 VanDerWaalsContact CG-NH1 3.34Å; D140-R143 WeakPolarHBondContact O-CB 2.88Å; D140-R143 PolarHBondContact O-N 2.9Å; D140-R143 IonicContact OD1-CZ 3.08Å; D140-R143 IonicContact OD1-NE 3.81Å; D140-R143 IonicContact OD1-NH1 3.34Å; D140-R143 PolarHBondContact OD1-NH1 2.98Å; D140-R143 IonicContact OD1-NH2 2.81Å; D140-R143 PolarHBondContact OD1-NH2 3.19Å; D140-R143 IonicContact OD2-CZ 3.4Å; D140-R143 IonicContact OD2-NH1 3.33Å; D140-R143 PolarHBondContact OD2-NH1 3.01Å; D140-R143 IonicContact OD2-NH2 3.84Å; D140-R143 PolarHBondContact OD2-NH2 3.19Å
141W97.4Very high94.7Very high51 Ų5182.4 Ų82.419%0.19346%0.455CS..G310 helixtrans-66.9-27.1-179.6-71.891.2000113.4R24 L48 C49 Y52 Y53 Y57 S138 S139R24-W141 VanDerWaalsContact CD-O 3.28Å; R24-W141 WeakPolarHBondContact CD-O 3.21Å; R24-W141 PolarHBondContact NH1-O 2.97Å; L48-W141 HydrophobicContact CB-CB 4Å; L48-W141 HydrophobicContact CB-CE3 4.17Å; L48-W141 HydrophobicContact CD1-CB 4.28Å; L48-W141 VanDerWaalsContact CD1-O 3.32Å; L48-W141 WeakPolarHBondContact CD1-O 3.37Å; C49-W141 HydrophobicContact CB-CD2 3.79Å; C49-W141 VanDerWaalsContact CB-CE2 3.43Å; C49-W141 HydrophobicContact CB-CE3 4.43Å; C49-W141 HydrophobicContact CB-CG 4.11Å; C49-W141 HydrophobicContact CB-CH2 4.46Å; C49-W141 HydrophobicContact CB-CZ2 3.82Å; C49-W141 WeakPolarHBondContact SG-CZ2 3.3Å; C49-W141 PolarHBondContact SG-NE1 2.91Å; Y52-W141 AromaticContact CD1-CH2 3.58Å; Y52-W141 HydrophobicContact CD1-CH2 3.58Å; Y52-W141 HydrophobicContact CD1-CZ3 4.08Å; Y52-W141 HydrophobicContact CD2-CZ3 4.4Å; Y52-W141 HydrophobicContact CE1-CH2 4.36Å; Y52-W141 AromaticContact CG-CH2 3.75Å; Y52-W141 HydrophobicContact CG-CH2 3.75Å; Y52-W141 AromaticContact CG-CZ3 3.75Å; Y52-W141 HydrophobicContact CG-CZ3 3.75Å; Y53-W141 HydrophobicContact CD2-CH2 4.45Å; Y53-W141 HydrophobicContact CD2-CZ2 4.44Å; Y53-W141 HydrophobicContact CE2-CH2 4.03Å; Y53-W141 AromaticContact CE2-CZ2 3.81Å; Y53-W141 HydrophobicContact CE2-CZ2 3.81Å; Y57-W141 WeakPolarHBondContact OH-CZ3 3.5Å; S138-W141 WeakPolarHBondContact O-CB 3.46Å; S138-W141 PolarHBondContact O-N 3.04Å; S138-W141 VanDerWaalsContact O-N 3.13Å; S139-W141 PolarHBondContact O-N 2.72Å
142K95.2Very high94.5Very high65 Ų6577.3 Ų77.328%0.28344%0.438SS..THydrogen-bonded Turntrans-100.8-6.417473.3172.3-174170.50114.2L44 L48 S139 D140 G144 C145 V147 S148L44-K142 HydrophobicContact CB-CD 4.44Å; L44-K142 HydrophobicContact CD2-CB 4Å; L44-K142 HydrophobicContact CD2-CD 4Å; L48-K142 HydrophobicContact CD1-CB 4.45Å; S139-K142 PolarHBondContact O-N 2.88Å; D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 2.98Å; K142-G144 PolarHBondContact O-N 3.23Å; K142-C145 WeakPolarHBondContact O-CB 3.3Å; K142-C145 PolarHBondContact O-N 2.98Å; K142-C145 VanDerWaalsContact O-N 3.12Å; K142-V147 HydrophobicContact CB-CG2 4.12Å; K142-V147 HydrophobicContact CD-CG2 4.46Å; K142-S148 PolarHBondContact NZ-OXT 3.44Å
143R96.4Very high94.3Very high156 Ų15679.6 Ų79.659%0.58945%0.452SS*.THydrogen-bonded Turntrans-55.6125.3-177.6-175.1169.661.5-152.9-12.4111.9R24 S139 D140 C145R24-R143 PolarHBondContact NH1-O 3.46Å; R24-R143 PolarHBondContact NH2-O 2.78Å; S139-R143 PolarHBondContact O-N 3.25Å; D140-R143 VanDerWaalsContact CG-NH1 3.34Å; D140-R143 WeakPolarHBondContact O-CB 2.88Å; D140-R143 PolarHBondContact O-N 2.9Å; D140-R143 IonicContact OD1-CZ 3.08Å; D140-R143 IonicContact OD1-NE 3.81Å; D140-R143 IonicContact OD1-NH1 3.34Å; D140-R143 PolarHBondContact OD1-NH1 2.98Å; D140-R143 IonicContact OD1-NH2 2.81Å; D140-R143 PolarHBondContact OD1-NH2 3.19Å; D140-R143 IonicContact OD2-CZ 3.4Å; D140-R143 IonicContact OD2-NH1 3.33Å; D140-R143 PolarHBondContact OD2-NH1 3.01Å; D140-R143 IonicContact OD2-NH2 3.84Å; D140-R143 PolarHBondContact OD2-NH2 3.19Å; R143-C145 VanDerWaalsContact C-N 3.34Å
144G96.8Very high94Very high79 Ų7984.7 Ų84.781%0.81448%0.481SS*.THydrogen-bonded Turntrans78.56.6177.900000115.7K142K142-G144 PolarHBondContact O-N 3.23Å
145C96.2Very high93.8Very high4 Ų485.6 Ų85.63%0.02749%0.491CS..SBendtrans-89.3-0.5-177.5-66.30000115.7C25 A28 K29 K142 R143 V147C25-C145 WeakPolarHBondContact CA-SG 2.97Å; C25-C145 HydrophobicContact CB-CB 3.49Å; C25-C145 VanDerWaalsContact CB-CB 3.49Å; C25-C145 WeakPolarHBondContact CB-SG 3.26Å; C25-C145 WeakPolarHBondContact SG-CA 3.3Å; C25-C145 WeakPolarHBondContact SG-CB 3.45Å; C25-C145 CovalentContact SG-SG 2.05Å; C25-C145 PolarHBondContact SG-SG 3.25Å; A28-C145 HydrophobicContact CB-CB 4.16Å; K29-C145 VanDerWaalsContact CE-O 3.31Å; K29-C145 WeakPolarHBondContact CE-O 3.49Å; K142-C145 WeakPolarHBondContact O-CB 3.3Å; K142-C145 PolarHBondContact O-N 2.98Å; K142-C145 VanDerWaalsContact O-N 3.12Å; R143-C145 VanDerWaalsContact C-N 3.34Å; C145-V147 HydrophobicContact CB-CG2 4.03Å
146D94.7Very high93.7Very high144 Ų14482.3 Ų82.377%0.7746%0.46SS*.  trans51.758.4-177.7-171.637.9000111.5
147V93.2Very high93.6Very high30 Ų3078.9 Ų78.918%0.18245%0.453CS..  trans-134.6132.4177-70.10000107.4A28 K29 V32 L44 K142 C145A28-V147 HydrophobicContact CB-CG1 4.27Å; A28-V147 HydrophobicContact CB-CG2 4.36Å; K29-V147 HydrophobicContact CG-CG1 3.64Å; V32-V147 HydrophobicContact CG2-CB 4.17Å; V32-V147 HydrophobicContact CG2-CG1 4.35Å; L44-V147 HydrophobicContact CD2-CB 4.35Å; L44-V147 HydrophobicContact CD2-CG2 3.7Å; K142-V147 HydrophobicContact CB-CG2 4.12Å; K142-V147 HydrophobicContact CD-CG2 4.46Å; C145-V147 HydrophobicContact CB-CG2 4.03Å
148S75.9Confident93.5Very high142 Ų14274.5 Ų74.599%0.99343%0.432SS*.  trans-77.30175.3-590000109.9K142K142-S148 PolarHBondContact NZ-OXT 3.44Å

Retrieved 148 of 148 residues in 97.9 ms (Link to these results)

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