A0A087Y6X9_POEFO Loading...

Phospholipid phosphatase-related protein type 5

AlphaFold DB , UniProt , Accession A0A087Y6X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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
1M32.9Very low31.4Very low228 Ų228138.4 Ų138.4100%1.12383%0.825SS**  0106.40-88.7172.2167.600107.1
2Q32.5Very low32.4Very low174 Ų174139 Ų13981%0.81382%0.822SS**  cis-153.2156.85.3-154156.31.400110.4
3D28.1Very low32.7Very low159 Ų159138.5 Ų138.585%0.8581%0.813SS**  trans-85.5167.9-160.8-42.3-84.3000113.9
4G33.9Very low33.3Very low77 Ų77139.6 Ų139.679%0.79481%0.813SS**  trans-176.867.3-178.900000117.4
5E31.6Very low33.7Very low182 Ų182141.5 Ų141.585%0.8581%0.812SS**  trans-70.7165.7169.4-119.379.7106.800112.5
6C29.9Very low34.3Very low114 Ų114141.3 Ų141.377%0.7780%0.801SS**  cis-135.8152.67-22.70000109.9
7D29.9Very low34.8Very low156 Ų156137.7 Ų137.783%0.83479%0.787SS**  78.1139.378.2-161.527.2000117.1
8G30.3Very low35.3Very low74 Ų74135.3 Ų135.376%0.76378%0.78SS**  trans142.393.5-179.700000114.1
9T29Very low36Very low125 Ų125139.1 Ų139.177%0.76778%0.78SS**  trans-102.1174.1-166.336.60000116.2
10S31.7Very low36.7Very low108 Ų108136.5 Ų136.576%0.75577%0.768SS**  trans72.9119.7176.171.90000115.9
11V36Very low37.4Very low125 Ų125136.3 Ų136.376%0.75876%0.762SS**  cis68.813410.6-160.20000115.4
12D42.7Very low38.1Very low146 Ų146132.3 Ų132.378%0.78174%0.743SS**  trans71.979.5174.7-61.1-40.8000118.7
13N36.7Very low38.7Very low133 Ų133130.6 Ų130.671%0.71173%0.734SS**  trans-152-18.8153.6-121.3-20.6000116.3Q15 E16N13-Q15 VanDerWaalsContact C-N 3.25Å; N13-Q15 PolarHBondContact O-N 3.29Å; N13-E16 PolarHBondContact O-N 3.02Å
14D40.8Very low39.4Very low153 Ų153130.1 Ų130.182%0.81873%0.727SS**THydrogen-bonded Turntrans-71.7-13.1-177.2-70.3-49.4000114.9
15Q40.3Very low39.9Very low168 Ų168133.6 Ų133.679%0.78573%0.725SS**THydrogen-bonded Turntrans-79.6-20.2-179.5-15276.71200113.5N13N13-Q15 VanDerWaalsContact C-N 3.25Å; N13-Q15 PolarHBondContact O-N 3.29Å
16E43.3Very low40.6Very low139 Ų139131.3 Ų131.365%0.6572%0.717SS**THydrogen-bonded Turntrans-86.5-32.6-173.5-164.9148.5132.600112.8N13 S18 R19N13-E16 PolarHBondContact O-N 3.02Å; E16-S18 VanDerWaalsContact C-N 3.29Å; E16-S18 PolarHBondContact O-N 3.4Å; E16-R19 PolarHBondContact O-N 3.42Å; E16-R19 VanDerWaalsContact O-N 3.08Å
17S41.8Very low40.8Very low80 Ų80132.7 Ų132.756%0.55972%0.716SS**Hα-helixtrans-57-36.7-178.2-169.50000113.6R19 V20S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.48Å; S17-V20 PolarHBondContact O-N 3.44Å
18S44.5Very low41Very low95 Ų95130.4 Ų130.466%0.66471%0.713SS**Hα-helixtrans-72.3-19179.9-70.30000114.5E16E16-S18 VanDerWaalsContact C-N 3.29Å; E16-S18 PolarHBondContact O-N 3.4Å
19R48.3Very low41.5Very low206 Ų206135.6 Ų135.678%0.77772%0.717SS**Hα-helixtrans-83.1-27.5177.2-71-175.6175.7177.80.5112.7E16 S17E16-R19 PolarHBondContact O-N 3.42Å; E16-R19 VanDerWaalsContact O-N 3.08Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.48Å
20V50.3Low41.7Very low87 Ų87140.1 Ų140.153%0.52772%0.72SS.*Hα-helixtrans-72.6-38.2-177.9-178.30000111.9S17 M22 Q23S17-V20 PolarHBondContact O-N 3.44Å; V20-M22 PolarHBondContact O-N 3.48Å; V20-Q23 PolarHBondContact O-N 3.43Å
21M50.2Low41.6Very low134 Ų134141.4 Ų141.466%0.6673%0.726SS**Hα-helixtrans-69.3-30.4-179.6-77.1-167.617200114.5
22M47.6Very low41.5Very low144 Ų144139.9 Ų139.971%0.70972%0.721SS**Hα-helixtrans-73.1-32.4176.6-97.4-172.5176.400112.8V20 Q24 M25V20-M22 PolarHBondContact O-N 3.48Å; M22-Q24 VanDerWaalsContact C-N 3.28Å; M22-Q24 PolarHBondContact O-N 3.31Å; M22-M25 PolarHBondContact O-N 3.4Å
23Q45.2Very low41.1Very low137 Ų137142.3 Ų142.364%0.6473%0.728SS**Hα-helixtrans-69.6-26.5179-162.961.454.300112.4V20 M25V20-Q23 PolarHBondContact O-N 3.43Å; Q23-M25 VanDerWaalsContact C-N 3.33Å; Q23-M25 PolarHBondContact O-N 2.93Å
24Q43.6Very low40.9Very low150 Ų150146.9 Ų146.970%0.70174%0.735SS**THydrogen-bonded Turntrans-75.8-12.9176.4-73.9-174.3-4200114.6M22M22-Q24 VanDerWaalsContact C-N 3.28Å; M22-Q24 PolarHBondContact O-N 3.31Å
25M43.8Very low40.3Very low150 Ų150150.7 Ų150.774%0.73974%0.738SS**THydrogen-bonded Turntrans-99.30.8-178.8-75-162.5-79.500115.1M22 Q23M22-M25 PolarHBondContact O-N 3.4Å; Q23-M25 VanDerWaalsContact C-N 3.33Å; Q23-M25 PolarHBondContact O-N 2.93Å
26I46.2Very low39.8Very low133 Ų133148.7 Ų148.768%0.68274%0.739SS**SBendtrans-103.1-19.2-177.6-66.1-179.9000113.5
27D34.8Very low39.4Very low143 Ų143148 Ų14877%0.76574%0.744SS**SBendtrans-93.55.8-178.4-113.3-23.4000114.8Q29D27-Q29 VanDerWaalsContact C-N 3.28Å; D27-Q29 PolarHBondContact O-N 3.37Å
28S35Very low39Very low108 Ų108152.5 Ų152.576%0.75576%0.759SS**SBendtrans-81.35.5-175.5-1500000115.1
29Q39.5Very low38.2Very low184 Ų184154.5 Ų154.586%0.8676%0.762SS**  trans-136.872.9-179.1-75.9-169.4-36.600114.1D27D27-Q29 VanDerWaalsContact C-N 3.28Å; D27-Q29 PolarHBondContact O-N 3.37Å
30R32.8Very low37.5Very low219 Ų219151.9 Ų151.983%0.82676%0.763SS**  trans-151.5103.1158.1-101-174.9-149.2-166.38.2113.2S32R30-S32 PolarHBondContact O-N 3.45Å
31P31.3Very low36.7Very low136 Ų136153.6 Ų153.688%0.88377%0.773SS**  trans-76.688165.631-31.5000109.7Q33P31-Q33 PolarHBondContact O-N 3.08Å
32S32.9Very low36Very low93 Ų93151.3 Ų151.365%0.6578%0.776SS**  trans-86.6107.1176.268.20000111.6R30 R34R30-S32 PolarHBondContact O-N 3.45Å; S32-R34 PolarHBondContact O-N 3.21Å
33Q33.3Very low35.3Very low197 Ų197151.6 Ų151.692%0.92178%0.78SS**  trans-73.283.5-175.7-166.7179.738.200111.6P31P31-Q33 PolarHBondContact O-N 3.08Å
34R32.8Very low34.8Very low229 Ų229156.3 Ų156.386%0.86479%0.792SS**PPolyproline II helixtrans-102.4119.4168.8-70.6-170-177.4-174.73.5110.7S32S32-R34 PolarHBondContact O-N 3.21Å
35R28.7Very low34.4Very low232 Ų232152 Ų15288%0.87579%0.788SS**PPolyproline II helixtrans-62135.9173.4-56.2175.5-166.8168.74109.1V37R35-V37 PolarHBondContact O-N 3.19Å
36P30.8Very low34.1Very low126 Ų126152.4 Ų152.482%0.81879%0.788SS**PPolyproline II helixtrans-66.7119.7168.227.7-31.6000108.8M38P36-M38 PolarHBondContact O-N 3.23Å
37V34.6Very low34Very low124 Ų124153.5 Ų153.575%0.75280%0.795SS**  trans-66.6114.4167.61720000106.5R35 N39R35-V37 PolarHBondContact O-N 3.19Å; V37-N39 PolarHBondContact O-N 3.48Å
38M32.3Very low34.2Very low175 Ų175155.2 Ų155.286%0.86280%0.795SS**  trans-72.294.6179.3-161.2174.5-152.500108.4P36 L40P36-M38 PolarHBondContact O-N 3.23Å; M38-L40 PolarHBondContact O-N 2.95Å
39N28.8Very low35Very low137 Ų137155 Ų15573%0.73379%0.79SS**  trans-65.489.6169.7-82.3-11000108.4V37 T41V37-N39 PolarHBondContact O-N 3.48Å; N39-T41 PolarHBondContact O-N 3.23Å
40L33.2Very low35.4Very low151 Ų151148.8 Ų148.879%0.79177%0.766SS**  trans-70.978.6171-16973.7000108.3M38 A42M38-L40 PolarHBondContact O-N 2.95Å; L40-A42 PolarHBondContact O-N 2.83Å
41T34.2Very low36.6Very low123 Ų123142.4 Ų142.476%0.75575%0.752SS**  trans-59.3103.7164.547.60000107N39 D43N39-T41 PolarHBondContact O-N 3.23Å; T41-D43 PolarHBondContact O-N 2.83Å
42A34.6Very low37.8Very low86 Ų86145 Ų14571%0.71175%0.745SS**  trans-58.7107.3174.900000108.2L40 R44L40-A42 PolarHBondContact O-N 2.83Å; A42-R44 PolarHBondContact O-N 2.94Å
43D32.3Very low39.2Very low151 Ų151145.7 Ų145.781%0.80774%0.741SS**  trans-6591.2168.5-178.424000107.4T41 G45T41-D43 PolarHBondContact O-N 2.83Å; D43-G45 PolarHBondContact O-N 2.93Å
44R36.3Very low40.6Very low235 Ų235138.9 Ų138.989%0.88771%0.713SS**  trans-76.379.9179.3-151.3-178.8-164.9-176.14.1105.9A42 Q46A42-R44 PolarHBondContact O-N 2.94Å; R44-Q46 PolarHBondContact O-N 3.22Å
45G35Very low42.3Very low60 Ų60131.8 Ų131.862%0.61970%0.696SS**  trans-37.6108.7-164.900000112.4D43 L47D43-G45 PolarHBondContact O-N 2.93Å; G45-L47 PolarHBondContact O-N 3.09Å
46Q35.8Very low44Very low159 Ų159124.5 Ų124.574%0.74368%0.68SS**  trans-61.8109.7174.7-85.7-160.8-0.700108.2R44 K48R44-Q46 PolarHBondContact O-N 3.22Å; Q46-K48 HydrophobicContact CB-CG 4.5Å; Q46-K48 PolarHBondContact O-N 2.84Å
47L45.7Very low46Very low155 Ų155123.3 Ų123.381%0.81266%0.662SS**  trans-66.486163.2-167.875.6000107.5G45 T49G45-L47 PolarHBondContact O-N 3.09Å; L47-T49 PolarHBondContact O-N 2.98Å; L47-T49 PolarHBondContact O-OG1 2.8Å
48K37.9Very low48Very low180 Ų180120.7 Ų120.778%0.78364%0.643SS**  trans-62.781.5174.3-75.1-173.6178.4179.30109Q46 S50Q46-K48 HydrophobicContact CB-CG 4.5Å; Q46-K48 PolarHBondContact O-N 2.84Å; K48-S50 VanDerWaalsContact C-N 3.35Å; K48-S50 PolarHBondContact O-N 3.16Å
49T52Low50.3Low104 Ų104119 Ų11964%0.63863%0.631SS**  trans-71.595.5175.7-44.50000106.3L47 T51L47-T49 PolarHBondContact O-N 2.98Å; L47-T49 PolarHBondContact O-OG1 2.8Å; T49-T51 PolarHBondContact O-N 2.79Å
50S48.8Very low52.9Low52 Ų52115.9 Ų115.936%0.36462%0.617SS.*  trans-57127.3-167.2171.30000112K48 Y52 I53K48-S50 VanDerWaalsContact C-N 3.35Å; K48-S50 PolarHBondContact O-N 3.16Å; S50-Y52 PolarHBondContact O-N 3Å; S50-I53 PolarHBondContact O-N 2.98Å
51T57.1Low55.3Low85 Ų85112 Ų11252%0.52160%0.595SS.*THydrogen-bonded Turntrans-54-27.9-176.1-440000113.1T49 P55 A148T49-T51 PolarHBondContact O-N 2.79Å; T51-P55 WeakPolarHBondContact O-CD 3.34Å; T51-A148 HydrophobicContact CG2-CB 4.32Å
52Y56.3Low57.8Low190 Ų190111.7 Ų111.775%0.74559%0.588SS**THydrogen-bonded Turntrans-87.5-17.2-178.8-58.7-78.1000114.5S50 C56S50-Y52 PolarHBondContact O-N 3Å; Y52-C56 VanDerWaalsContact O-CB 3.23Å; Y52-C56 WeakPolarHBondContact O-CB 3.46Å; Y52-C56 PolarHBondContact O-N 2.96Å
53I62.8Low60.5Low109 Ų109111.6 Ų111.656%0.55958%0.578SS**Hα-helixtrans-68.7-41.3-177.9-68.8176.7000111.1S50 C56 F57S50-I53 PolarHBondContact O-N 2.98Å; I53-C56 PolarHBondContact O-N 2.9Å; I53-F57 WeakPolarHBondContact O-CB 3.42Å; I53-F57 PolarHBondContact O-N 2.95Å
54V62.7Low63.3Low54 Ų54108.4 Ų108.433%0.32756%0.561SS.*Hα-helixtrans-68.4-47.5-176.41790000112.4C56 F57 L58V54-C56 PolarHBondContact O-N 3.04Å; V54-F57 PolarHBondContact O-N 2.79Å; V54-L58 HydrophobicContact CG1-CD1 4.26Å; V54-L58 WeakPolarHBondContact O-CG 3.46Å; V54-L58 PolarHBondContact O-N 3.07Å; V54-L58 VanDerWaalsContact O-N 3.11Å
55P67.4Low66Low80 Ų8099 Ų9952%0.51953%0.527SS..Hα-helixtrans-62.8-39.2174.2-23.234.9000112.9T51 L58 F59T51-P55 WeakPolarHBondContact O-CD 3.34Å; P55-L58 PolarHBondContact O-N 3.28Å; P55-F59 WeakPolarHBondContact O-CB 3.43Å; P55-F59 PolarHBondContact O-N 3.15Å
56C66.4Low68.7Low79 Ų7999.1 Ų99.153%0.53452%0.522SS..Hα-helixtrans-62.9-44.2177.7-173.10000111.9Y52 I53 V54 F59 V60Y52-C56 VanDerWaalsContact O-CB 3.23Å; Y52-C56 WeakPolarHBondContact O-CB 3.46Å; Y52-C56 PolarHBondContact O-N 2.96Å; I53-C56 PolarHBondContact O-N 2.9Å; V54-C56 PolarHBondContact O-N 3.04Å; C56-F59 PolarHBondContact O-N 3.29Å; C56-V60 WeakPolarHBondContact O-CG2 3.12Å; C56-V60 PolarHBondContact O-N 2.73Å
57F72.1Confident71.5Confident101 Ų10193.5 Ų93.544%0.44351%0.507SS..Hα-helixtrans-61.5-46.7176.9-176.4-99000111.7I53 V54 F59 V60 E61 F315I53-F57 WeakPolarHBondContact O-CB 3.42Å; I53-F57 PolarHBondContact O-N 2.95Å; V54-F57 PolarHBondContact O-N 2.79Å; F57-F59 VanDerWaalsContact C-N 3.35Å; F57-F59 PolarHBondContact O-N 3.42Å; F57-V60 PolarHBondContact O-N 3.11Å; F57-E61 HydrophobicContact CD1-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.96Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.46Å; F57-E61 WeakPolarHBondContact CE1-OE2 3.42Å; F57-E61 HydrophobicContact CZ-CG 4.18Å; F57-E61 WeakPolarHBondContact CZ-OE1 3.33Å; F57-E61 WeakPolarHBondContact O-CG 3.23Å; F57-E61 PolarHBondContact O-N 3.07Å; F57-F315 HydrophobicContact CZ-CZ 4.22Å
58L75.9Confident73.8Confident68 Ų6887.1 Ų87.136%0.35647%0.474SS..Hα-helixtrans-62.7-38.2176.5-69.7172.3000112.7V54 P55 E61 L62V54-L58 HydrophobicContact CG1-CD1 4.26Å; V54-L58 WeakPolarHBondContact O-CG 3.46Å; V54-L58 PolarHBondContact O-N 3.07Å; V54-L58 VanDerWaalsContact O-N 3.11Å; P55-L58 PolarHBondContact O-N 3.28Å; L58-E61 PolarHBondContact O-N 3.16Å; L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 2.81Å
59F80.3Confident76.5Confident139 Ų13981.4 Ų81.461%0.6145%0.454SS*.Hα-helixtrans-63.9-43.9175.8-177.2-97.9000111.7P55 C56 F57 L62 V63P55-F59 WeakPolarHBondContact O-CB 3.43Å; P55-F59 PolarHBondContact O-N 3.15Å; C56-F59 PolarHBondContact O-N 3.29Å; F57-F59 VanDerWaalsContact C-N 3.35Å; F57-F59 PolarHBondContact O-N 3.42Å; F59-L62 PolarHBondContact O-N 3.1Å; F59-V63 HydrophobicContact CD1-CG2 4.26Å; F59-V63 HydrophobicContact CE1-CG2 3.85Å; F59-V63 HydrophobicContact CE2-CG2 4.48Å; F59-V63 HydrophobicContact CZ-CG2 3.97Å; F59-V63 WeakPolarHBondContact O-CG2 3.08Å; F59-V63 PolarHBondContact O-N 3.04Å
60V83.6Confident78.5Confident73 Ų7381.1 Ų81.144%0.44245%0.448SS..Hα-helixtrans-63.4-44175.7172.90000111.2C56 F57 L62 V63 I64C56-V60 WeakPolarHBondContact O-CG2 3.12Å; C56-V60 PolarHBondContact O-N 2.73Å; F57-V60 PolarHBondContact O-N 3.11Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.69Å; V60-V63 PolarHBondContact O-N 2.94Å; V60-I64 HydrophobicContact CG1-CD1 3.85Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.45Å; V60-I64 PolarHBondContact O-N 2.98Å
61E84.3Confident80.6Confident68 Ų6882.1 Ų82.132%0.31845%0.449SS..Hα-helixtrans-59.3-42.5174-73.7-172.6139.200112F57 L58 I64 M65F57-E61 HydrophobicContact CD1-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.96Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.46Å; F57-E61 WeakPolarHBondContact CE1-OE2 3.42Å; F57-E61 HydrophobicContact CZ-CG 4.18Å; F57-E61 WeakPolarHBondContact CZ-OE1 3.33Å; F57-E61 WeakPolarHBondContact O-CG 3.23Å; F57-E61 PolarHBondContact O-N 3.07Å; L58-E61 PolarHBondContact O-N 3.16Å; E61-I64 PolarHBondContact O-N 3.31Å; E61-M65 WeakPolarHBondContact O-CB 3.06Å; E61-M65 VanDerWaalsContact O-CG 3.29Å; E61-M65 WeakPolarHBondContact O-CG 3.19Å; E61-M65 PolarHBondContact O-N 2.76Å
62L86.8Confident82.4Confident118 Ų11878.3 Ų78.362%0.61843%0.426SS*.Hα-helixtrans-65.3-40.3177.4-74.5171.8000112.8L58 F59 V60 M65 A66L58-L62 WeakPolarHBondContact O-CB 3.39Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.33Å; L58-L62 PolarHBondContact O-N 2.81Å; F59-L62 PolarHBondContact O-N 3.1Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.69Å; L62-M65 PolarHBondContact O-N 3.05Å; L62-A66 WeakPolarHBondContact O-CB 3.21Å; L62-A66 PolarHBondContact O-N 3.23Å
63V91.2Very high84.1Confident83 Ų8375.3 Ų75.350%0.50342%0.415SS..Hα-helixtrans-65.4-42.9175.8171.40000111F59 V60 A66 G67F59-V63 HydrophobicContact CD1-CG2 4.26Å; F59-V63 HydrophobicContact CE1-CG2 3.85Å; F59-V63 HydrophobicContact CE2-CG2 4.48Å; F59-V63 HydrophobicContact CZ-CG2 3.97Å; F59-V63 WeakPolarHBondContact O-CG2 3.08Å; F59-V63 PolarHBondContact O-N 3.04Å; V60-V63 PolarHBondContact O-N 2.94Å; V63-A66 PolarHBondContact O-N 3.48Å; V63-G67 PolarHBondContact O-N 3.12Å
64I91.2Very high85.5Confident85 Ų8575 Ų7544%0.43641%0.407SS..Hα-helixtrans-60.8-47.4174.6-68.8166.6000110.2V60 E61 G67 T68 F169V60-I64 HydrophobicContact CG1-CD1 3.85Å; V60-I64 VanDerWaalsContact O-CG1 3.3Å; V60-I64 WeakPolarHBondContact O-CG1 3.45Å; V60-I64 PolarHBondContact O-N 2.98Å; E61-I64 PolarHBondContact O-N 3.31Å; I64-G67 PolarHBondContact O-N 3.14Å; I64-T68 PolarHBondContact O-N 2.93Å; I64-T68 PolarHBondContact O-OG1 3.35Å; I64-F169 HydrophobicContact CG2-CD2 4.2Å; I64-F169 HydrophobicContact CG2-CE2 3.71Å
65M91.9Very high86.8Confident38 Ų3873.9 Ų73.919%0.18740%0.398CS..Hα-helixtrans-58.1-50.4177-78.5-60-5600111.8E61 L62 G67 T68 V69 F169 F172E61-M65 WeakPolarHBondContact O-CB 3.06Å; E61-M65 VanDerWaalsContact O-CG 3.29Å; E61-M65 WeakPolarHBondContact O-CG 3.19Å; E61-M65 PolarHBondContact O-N 2.76Å; L62-M65 PolarHBondContact O-N 3.05Å; M65-G67 VanDerWaalsContact C-N 3.31Å; M65-G67 PolarHBondContact O-N 3.37Å; M65-T68 PolarHBondContact O-N 3.41Å; M65-T68 VanDerWaalsContact O-N 3.15Å; M65-T68 PolarHBondContact O-OG1 3.08Å; M65-V69 WeakPolarHBondContact O-CG2 3.29Å; M65-V69 PolarHBondContact O-N 3.32Å; M65-F169 VanDerWaalsContact SD-CA 3.58Å; M65-F169 HydrophobicContact SD-CB 3.55Å; M65-F169 VanDerWaalsContact SD-CB 3.55Å; M65-F169 HydrophobicContact SD-CD2 3.98Å; M65-F169 HydrophobicContact SD-CG 4.28Å; M65-F172 HydrophobicContact CE-CD2 4.06Å; M65-F172 HydrophobicContact CE-CE2 4.35Å
66A93Very high87.7Confident62 Ų6272.9 Ų72.951%0.51239%0.386SS..Hα-helixtrans-58.4-42.8177.700000112L62 V63 V69 L70L62-A66 WeakPolarHBondContact O-CB 3.21Å; L62-A66 PolarHBondContact O-N 3.23Å; V63-A66 PolarHBondContact O-N 3.48Å; A66-V69 PolarHBondContact O-N 3.45Å; A66-L70 WeakPolarHBondContact O-CB 3.5Å; A66-L70 PolarHBondContact O-N 3.46Å
67G94.2Very high88.6Confident40 Ų4076.9 Ų76.941%0.41239%0.391SS..Hα-helixtrans-60.1-44.7173.800000113.1V63 I64 M65 L70 L71V63-G67 PolarHBondContact O-N 3.12Å; I64-G67 PolarHBondContact O-N 3.14Å; M65-G67 VanDerWaalsContact C-N 3.31Å; M65-G67 PolarHBondContact O-N 3.37Å; G67-L70 PolarHBondContact O-N 2.94Å; G67-L71 WeakPolarHBondContact O-CB 3.37Å; G67-L71 PolarHBondContact O-N 2.73Å
68T94.4Very high89.3Confident21 Ų2173.9 Ų73.913%0.12938%0.381CS..Hα-helixtrans-67.4-37.9176.755.80000113.3I64 M65 L71 A72 F169I64-T68 PolarHBondContact O-N 2.93Å; I64-T68 PolarHBondContact O-OG1 3.35Å; M65-T68 PolarHBondContact O-N 3.41Å; M65-T68 VanDerWaalsContact O-N 3.15Å; M65-T68 PolarHBondContact O-OG1 3.08Å; T68-L71 PolarHBondContact O-N 3.17Å; T68-A72 VanDerWaalsContact O-CB 3.31Å; T68-A72 WeakPolarHBondContact O-CB 2.93Å; T68-A72 PolarHBondContact O-N 2.99Å; T68-F169 HydrophobicContact CG2-CD2 4.14Å; T68-F169 HydrophobicContact CG2-CE2 3.74Å
69V94.5Very high89.4Confident61 Ų6177.4 Ų77.437%0.3740%0.4SS..Hα-helixtrans-64.1-45.8176171.70000110.3M65 A66 A72 Y73 F172M65-V69 WeakPolarHBondContact O-CG2 3.29Å; M65-V69 PolarHBondContact O-N 3.32Å; A66-V69 PolarHBondContact O-N 3.45Å; V69-A72 PolarHBondContact O-N 3.04Å; V69-Y73 WeakPolarHBondContact O-CB 3.4Å; V69-Y73 PolarHBondContact O-N 2.67Å; V69-F172 HydrophobicContact CG2-CD1 4.27Å; V69-F172 HydrophobicContact CG2-CD2 3.74Å; V69-F172 HydrophobicContact CG2-CE1 4.07Å; V69-F172 HydrophobicContact CG2-CE2 3.54Å; V69-F172 HydrophobicContact CG2-CG 4.14Å; V69-F172 HydrophobicContact CG2-CZ 3.73Å
70L94.2Very high89.4Confident97 Ų9774.5 Ų74.551%0.50840%0.395SS..Hα-helixtrans-62.6-44.6178.3-176.162.1000111.6A66 G67 Y73 Y74A66-L70 WeakPolarHBondContact O-CB 3.5Å; A66-L70 PolarHBondContact O-N 3.46Å; G67-L70 PolarHBondContact O-N 2.94Å; L70-Y73 WeakPolarHBondContact O-CB 3.46Å; L70-Y73 PolarHBondContact O-N 2.81Å; L70-Y74 HydrophobicContact CD1-CD2 4.07Å; L70-Y74 HydrophobicContact CD1-CE2 3.58Å; L70-Y74 HydrophobicContact CD2-CE2 4.28Å; L70-Y74 HydrophobicContact CG-CD2 3.99Å; L70-Y74 HydrophobicContact CG-CE2 3.7Å; L70-Y74 WeakPolarHBondContact O-CD2 3.38Å; L70-Y74 PolarHBondContact O-N 3.26Å
71L93.3Very high89.4Confident73 Ų7375.3 Ų75.338%0.38239%0.392SS..Hα-helixtrans-64.4-41.5177.2-176.158.2000112.1G67 T68 Y73 Y74 F75 I176G67-L71 WeakPolarHBondContact O-CB 3.37Å; G67-L71 PolarHBondContact O-N 2.73Å; T68-L71 PolarHBondContact O-N 3.17Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 2.99Å; L71-Y74 PolarHBondContact O-N 3.32Å; L71-F75 HydrophobicContact CD1-CD2 3.92Å; L71-F75 HydrophobicContact CD1-CE2 3.68Å; L71-F75 HydrophobicContact CG-CD2 4.02Å; L71-F75 HydrophobicContact CG-CE2 3.98Å; L71-F75 WeakPolarHBondContact O-CD2 3.35Å; L71-F75 PolarHBondContact O-N 3.18Å; L71-F75 VanDerWaalsContact O-N 3.08Å; L71-I176 HydrophobicContact CB-CD1 4.17Å; L71-I176 HydrophobicContact CD2-CD1 4.08Å; L71-I176 HydrophobicContact CD2-CG2 4.27Å; L71-I176 HydrophobicContact CG-CD1 4.13Å; L71-I176 HydrophobicContact CG-CG1 4.31Å
72A93.1Very high89.5Confident5 Ų577.4 Ų77.44%0.04141%0.412CS..Hα-helixtrans-62-40.9174.100000111.8T68 V69 F75 E76 F172 T175 I176T68-A72 VanDerWaalsContact O-CB 3.31Å; T68-A72 WeakPolarHBondContact O-CB 2.93Å; T68-A72 PolarHBondContact O-N 2.99Å; V69-A72 PolarHBondContact O-N 3.04Å; A72-F75 PolarHBondContact O-N 3.22Å; A72-E76 WeakPolarHBondContact O-CB 3.4Å; A72-E76 PolarHBondContact O-N 2.84Å; A72-F172 HydrophobicContact CB-CD1 3.88Å; A72-T175 HydrophobicContact CB-CG2 4.37Å; A72-I176 HydrophobicContact CB-CD1 4.31Å; A72-I176 HydrophobicContact CB-CG1 3.9Å
73Y92.9Very high89.7Confident127 Ų12772.9 Ų72.950%0.49839%0.389SS..Hα-helixtrans-60.9-46.9175.2174.1-92000112.2V69 L70 L71 F75 E76 Y77 T78V69-Y73 WeakPolarHBondContact O-CB 3.4Å; V69-Y73 PolarHBondContact O-N 2.67Å; L70-Y73 WeakPolarHBondContact O-CB 3.46Å; L70-Y73 PolarHBondContact O-N 2.81Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 PolarHBondContact O-N 2.99Å; Y73-F75 PolarHBondContact O-N 2.93Å; Y73-E76 PolarHBondContact O-N 3.28Å; Y73-Y77 AromaticContact CD2-CD2 3.4Å; Y73-Y77 HydrophobicContact CD2-CD2 3.4Å; Y73-Y77 VanDerWaalsContact CD2-CD2 3.4Å; Y73-Y77 HydrophobicContact CD2-CE2 4.09Å; Y73-Y77 HydrophobicContact CD2-CG 4.18Å; Y73-Y77 AromaticContact CE2-CD2 3.63Å; Y73-Y77 HydrophobicContact CE2-CD2 3.63Å; Y73-Y77 HydrophobicContact CE2-CE2 4.43Å; Y73-Y77 AromaticContact CE2-CG 3.98Å; Y73-Y77 HydrophobicContact CE2-CG 3.98Å; Y73-Y77 HydrophobicContact CG-CD2 4.21Å; Y73-Y77 PolarHBondContact O-N 3.11Å; Y73-T78 HydrophobicContact CE1-CG2 4.21Å
74Y91.7Very high89.6Confident102 Ų10274 Ų7440%0.439%0.388SS..Hα-helixtrans-59.2-44.9175.7-82.1-71.1000111.8L70 L71 E76 T78L70-Y74 HydrophobicContact CD1-CD2 4.07Å; L70-Y74 HydrophobicContact CD1-CE2 3.58Å; L70-Y74 HydrophobicContact CD2-CE2 4.28Å; L70-Y74 HydrophobicContact CG-CD2 3.99Å; L70-Y74 HydrophobicContact CG-CE2 3.7Å; L70-Y74 WeakPolarHBondContact O-CD2 3.38Å; L70-Y74 PolarHBondContact O-N 3.26Å; L71-Y74 PolarHBondContact O-N 3.32Å; Y74-E76 VanDerWaalsContact C-N 3.33Å; Y74-E76 PolarHBondContact O-N 3.43Å; Y74-T78 WeakPolarHBondContact CA-OG1 3.12Å; Y74-T78 HydrophobicContact CD1-CG2 3.81Å; Y74-T78 WeakPolarHBondContact CD1-OG1 3.13Å; Y74-T78 HydrophobicContact CE1-CG2 4.33Å; Y74-T78 PolarHBondContact O-N 3.49Å; Y74-T78 PolarHBondContact O-OG1 3.43Å
75F90Very high89.6Confident31 Ų3173.7 Ų73.714%0.13639%0.387CS..Hα-helixtrans-66.5-28.4177.8-88.6-62.8000114.8L71 A72 Y73 F81 I176 N179 A180L71-F75 HydrophobicContact CD1-CD2 3.92Å; L71-F75 HydrophobicContact CD1-CE2 3.68Å; L71-F75 HydrophobicContact CG-CD2 4.02Å; L71-F75 HydrophobicContact CG-CE2 3.98Å; L71-F75 WeakPolarHBondContact O-CD2 3.35Å; L71-F75 PolarHBondContact O-N 3.18Å; L71-F75 VanDerWaalsContact O-N 3.08Å; A72-F75 PolarHBondContact O-N 3.22Å; Y73-F75 PolarHBondContact O-N 2.93Å; F75-F81 AromaticContact CD1-CD2 3.73Å; F75-F81 HydrophobicContact CD1-CD2 3.73Å; F75-F81 HydrophobicContact CD1-CE2 4.2Å; F75-F81 HydrophobicContact CE1-CB 4.42Å; F75-F81 AromaticContact CE1-CD2 3.47Å; F75-F81 HydrophobicContact CE1-CD2 3.47Å; F75-F81 VanDerWaalsContact CE1-CD2 3.47Å; F75-F81 AromaticContact CE1-CE2 3.84Å; F75-F81 HydrophobicContact CE1-CE2 3.84Å; F75-F81 AromaticContact CE1-CG 3.99Å; F75-F81 HydrophobicContact CE1-CG 3.99Å; F75-F81 HydrophobicContact CE2-CE2 4.26Å; F75-F81 HydrophobicContact CG-CD2 4.42Å; F75-F81 AromaticContact CZ-CD2 4Å; F75-F81 HydrophobicContact CZ-CD2 4Å; F75-F81 AromaticContact CZ-CE2 3.87Å; F75-F81 HydrophobicContact CZ-CE2 3.87Å; F75-F81 HydrophobicContact CZ-CZ 4.38Å; F75-I176 HydrophobicContact CD2-CG2 4.11Å; F75-I176 HydrophobicContact CE2-CG2 3.98Å; F75-N179 HydrophobicContact CB-CB 3.77Å; F75-N179 HydrophobicContact CD1-CB 4.35Å; F75-N179 HydrophobicContact CG-CB 4.25Å; F75-A180 HydrophobicContact CE1-CB 4.1Å; F75-A180 HydrophobicContact CZ-CB 4.03Å
76E87.4Confident89.4Confident59 Ų5974.6 Ų74.628%0.27639%0.391SS..Hα-helixtrans-88.2-45.5-177.3-169.273-156.700112.6A72 Y73 Y74 N179 K235A72-E76 WeakPolarHBondContact O-CB 3.4Å; A72-E76 PolarHBondContact O-N 2.84Å; Y73-E76 PolarHBondContact O-N 3.28Å; Y74-E76 VanDerWaalsContact C-N 3.33Å; Y74-E76 PolarHBondContact O-N 3.43Å; E76-N179 PolarHBondContact OE2-ND2 3.46Å; E76-N179 PolarHBondContact OE2-OD1 3.27Å; E76-K235 IonicContact OE1-NZ 3.73Å; E76-K235 PolarHBondContact OE1-NZ 3.3Å; E76-K235 IonicContact OE2-NZ 3.93Å; E76-K235 PolarHBondContact OE2-NZ 3.42Å
77Y85.8Confident89.3Confident163 Ų16372.1 Ų72.164%0.63937%0.371SS*.Hα-helixtrans-114.2-2.1-164.4-64.5-72.5000115.1Y73Y73-Y77 AromaticContact CD2-CD2 3.4Å; Y73-Y77 HydrophobicContact CD2-CD2 3.4Å; Y73-Y77 VanDerWaalsContact CD2-CD2 3.4Å; Y73-Y77 HydrophobicContact CD2-CE2 4.09Å; Y73-Y77 HydrophobicContact CD2-CG 4.18Å; Y73-Y77 AromaticContact CE2-CD2 3.63Å; Y73-Y77 HydrophobicContact CE2-CD2 3.63Å; Y73-Y77 HydrophobicContact CE2-CE2 4.43Å; Y73-Y77 AromaticContact CE2-CG 3.98Å; Y73-Y77 HydrophobicContact CE2-CG 3.98Å; Y73-Y77 HydrophobicContact CG-CD2 4.21Å; Y73-Y77 PolarHBondContact O-N 3.11Å
78T85.1Confident89.2Confident38 Ų3870.4 Ų70.423%0.23335%0.352CS..  trans-126.9143.8-178.975.50000111.9Y73 Y74 T80Y73-T78 HydrophobicContact CE1-CG2 4.21Å; Y74-T78 WeakPolarHBondContact CA-OG1 3.12Å; Y74-T78 HydrophobicContact CD1-CG2 3.81Å; Y74-T78 WeakPolarHBondContact CD1-OG1 3.13Å; Y74-T78 HydrophobicContact CE1-CG2 4.33Å; Y74-T78 PolarHBondContact O-N 3.49Å; Y74-T78 PolarHBondContact O-OG1 3.43Å; T78-T80 PolarHBondContact O-N 3.35Å; T78-T80 VanDerWaalsContact O-N 3.11Å; T78-T80 PolarHBondContact OG1-OG1 3.05Å
79D78.3Confident89.2Confident142 Ų14273.7 Ų73.776%0.75937%0.365SS*.THydrogen-bonded Turntrans-79.922.7174.5-61.2-58.5000112.8F81D79-F81 PolarHBondContact O-N 3.49Å
80T81.4Confident89.1Confident79 Ų7970.8 Ų70.849%0.48535%0.347SS..THydrogen-bonded Turntrans-58.4-29.4-180-62.10000112.6T78T78-T80 PolarHBondContact O-N 3.35Å; T78-T80 VanDerWaalsContact O-N 3.11Å; T78-T80 PolarHBondContact OG1-OG1 3.05Å
81F83.5Confident88.9Confident90 Ų9071.2 Ų71.240%0.39535%0.345SS..SBendtrans-119.2105.1176-54.3-74.5000110.1F75 D79 V183F75-F81 AromaticContact CD1-CD2 3.73Å; F75-F81 HydrophobicContact CD1-CD2 3.73Å; F75-F81 HydrophobicContact CD1-CE2 4.2Å; F75-F81 HydrophobicContact CE1-CB 4.42Å; F75-F81 AromaticContact CE1-CD2 3.47Å; F75-F81 HydrophobicContact CE1-CD2 3.47Å; F75-F81 VanDerWaalsContact CE1-CD2 3.47Å; F75-F81 AromaticContact CE1-CE2 3.84Å; F75-F81 HydrophobicContact CE1-CE2 3.84Å; F75-F81 AromaticContact CE1-CG 3.99Å; F75-F81 HydrophobicContact CE1-CG 3.99Å; F75-F81 HydrophobicContact CE2-CE2 4.26Å; F75-F81 HydrophobicContact CG-CD2 4.42Å; F75-F81 AromaticContact CZ-CD2 4Å; F75-F81 HydrophobicContact CZ-CD2 4Å; F75-F81 AromaticContact CZ-CE2 3.87Å; F75-F81 HydrophobicContact CZ-CE2 3.87Å; F75-F81 HydrophobicContact CZ-CZ 4.38Å; D79-F81 PolarHBondContact O-N 3.49Å; F81-V183 HydrophobicContact CB-CG1 3.79Å
82P85.9Confident88.9Confident112 Ų11269.6 Ų69.673%0.72734%0.337SS*.PPolyproline II helixtrans-69.7135.6-178.228.1-34.3000111.1H84 V183P82-H84 PolarHBondContact O-N 2.94Å; P82-V183 WeakPolarHBondContact O-CG1 3.22Å
83V89.8Confident88.8Confident22 Ų2277.6 Ų77.613%0.13337%0.371CS..PPolyproline II helixtrans-63.4132177.8-176.80000110.2I85 V183 V226 R229 K230V83-I85 PolarHBondContact O-N 2.93Å; V83-V183 HydrophobicContact CG2-CG2 4.39Å; V83-V226 HydrophobicContact CG2-CG1 4.08Å; V83-R229 HydrophobicContact CG1-CB 3.91Å; V83-K230 HydrophobicContact CG2-CD 4.36Å; V83-K230 HydrophobicContact CG2-CG 4.09Å
84H90.8Very high88.8Confident107 Ų10773.7 Ų73.750%0.49536%0.364SS..PPolyproline II helixtrans-58.1130.5175.9-176.968.8000111.4P82 Q86 V183 V184 G186P82-H84 PolarHBondContact O-N 2.94Å; H84-Q86 PolarHBondContact O-N 3.05Å; H84-V183 WeakPolarHBondContact CB-O 3.36Å; H84-V183 PolarHBondContact N-O 3.16Å; H84-V184 WeakPolarHBondContact CB-O 3.24Å; H84-G186 WeakPolarHBondContact O-CA 3.29Å
85I89.6Confident88.9Confident78 Ų7870.8 Ų70.840%0.435%0.353SS..  trans-94.494.8-176.8-56.7179.2000109.3V83 N215V83-I85 PolarHBondContact O-N 2.93Å; I85-N215 WeakPolarHBondContact CD1-OD1 3.34Å
86Q88.7Confident89.1Confident58 Ų5872.5 Ų72.527%0.27137%0.369SS..  trans-73.5143.7165-60.7-169.1-1.400111H84 T185 Q188 R229H84-Q86 PolarHBondContact O-N 3.05Å; Q86-T185 PolarHBondContact NE2-O 2.89Å; Q86-Q188 PolarHBondContact O-NE2 3.2Å; Q86-R229 PolarHBondContact O-NH1 2.93Å
87G90.6Very high89.5Confident9 Ų973.8 Ų73.89%0.09337%0.373CS..  trans-75.9175167.600000113Q188 Y211 I212G87-Q188 PolarHBondContact O-NE2 3.46Å; G87-Y211 VanDerWaalsContact C-OH 3.23Å; G87-Y211 VanDerWaalsContact CA-CZ 3.49Å; G87-Y211 WeakPolarHBondContact CA-OH 3.41Å; G87-Y211 PolarHBondContact N-OH 3.43Å; G87-Y211 VanDerWaalsContact N-OH 3.1Å; G87-Y211 WeakPolarHBondContact O-CE2 3.48Å; G87-Y211 PolarHBondContact O-OH 3.39Å; G87-Y211 VanDerWaalsContact O-OH 3.1Å; G87-I212 CarbonylContact C-O 3.12Å; G87-I212 WeakPolarHBondContact CA-O 3.26Å
88F93.2Very high89.9Confident5 Ų570.3 Ų70.32%0.02237%0.37CS..EExtended strand (participates in β ladder)trans-144158.5-179.161.2-87.5000111.7F192 L193 P198 I212 A217F88-F192 HydrophobicContact CB-CE1 4.32Å; F88-F192 AromaticContact CD1-CE1 3.74Å; F88-F192 HydrophobicContact CD1-CE1 3.74Å; F88-F192 HydrophobicContact CD1-CZ 4.21Å; F88-F192 HydrophobicContact CE1-CE1 4.21Å; F88-F192 HydrophobicContact CE1-CZ 4.45Å; F88-F192 HydrophobicContact CG-CE1 4.02Å; F88-L193 HydrophobicContact CD2-CD2 3.62Å; F88-L193 HydrophobicContact CE2-CD2 3.82Å; F88-L193 HydrophobicContact CG-CD2 4.23Å; F88-P198 HydrophobicContact CE2-CB 4.18Å; F88-P198 HydrophobicContact CE2-CG 4.26Å; F88-P198 HydrophobicContact CZ-CB 3.98Å; F88-P198 HydrophobicContact CZ-CG 4.45Å; F88-I212 HydrophobicContact CD2-CD1 4.24Å; F88-I212 HydrophobicContact CE1-CB 4.49Å; F88-I212 HydrophobicContact CE1-CG2 4.35Å; F88-I212 HydrophobicContact CE2-CD1 3.59Å; F88-I212 HydrophobicContact CZ-CB 4.36Å; F88-I212 HydrophobicContact CZ-CD1 3.93Å; F88-I212 HydrophobicContact CZ-CG2 4.3Å; F88-I212 PolarHBondContact N-O 3Å; F88-I212 PolarHBondContact O-N 2.96Å; F88-A217 HydrophobicContact CE1-CB 3.85Å; F88-A217 HydrophobicContact CZ-CB 3.85Å
89F93.6Very high90.3Very high90 Ų9072.7 Ų72.740%0.39538%0.376SS..EExtended strand (participates in β ladder)trans-83.3143.9175.7-67.8-82.2000112F91 D92 Q210 Y211F89-F91 PolarHBondContact O-N 3.37Å; F89-D92 HydrophobicContact CB-CB 4.21Å; F89-D92 PolarHBondContact O-N 3.44Å; F89-Q210 WeakPolarHBondContact CA-O 3.27Å; F89-Y211 AromaticContact CD1-CD2 3.95Å; F89-Y211 HydrophobicContact CD1-CD2 3.95Å; F89-Y211 HydrophobicContact CD1-CG 4.48Å; F89-Y211 AromaticContact CD2-CD2 3.91Å; F89-Y211 HydrophobicContact CD2-CD2 3.91Å; F89-Y211 HydrophobicContact CD2-CE2 4.35Å; F89-Y211 AromaticContact CE1-CD2 3.81Å; F89-Y211 HydrophobicContact CE1-CD2 3.81Å; F89-Y211 HydrophobicContact CE1-CG 4.2Å; F89-Y211 AromaticContact CE2-CD2 3.75Å; F89-Y211 HydrophobicContact CE2-CD2 3.75Å; F89-Y211 HydrophobicContact CE2-CE2 4.1Å; F89-Y211 HydrophobicContact CG-CD2 4Å; F89-Y211 AromaticContact CZ-CD2 3.69Å; F89-Y211 HydrophobicContact CZ-CD2 3.69Å; F89-Y211 HydrophobicContact CZ-CE2 4.37Å; F89-Y211 HydrophobicContact CZ-CG 4.35Å
90C92.6Very high91Very high0 Ų068 Ų680%035%0.353CS..THydrogen-bonded Turntrans-55.7130.2173.4-65.30000110.7D92 C205 S207 P208 Q210C90-D92 VanDerWaalsContact C-N 3.26Å; C90-D92 PolarHBondContact O-N 2.85Å; C90-C205 HydrophobicContact CB-CB 3.7Å; C90-C205 WeakPolarHBondContact CB-SG 3.26Å; C90-C205 WeakPolarHBondContact SG-CB 3.36Å; C90-C205 CovalentContact SG-SG 2.04Å; C90-C205 PolarHBondContact SG-SG 2.96Å; C90-S207 WeakPolarHBondContact CB-O 3.3Å; C90-P208 VanDerWaalsContact O-CA 3.29Å; C90-P208 WeakPolarHBondContact O-CA 3.45Å; C90-Q210 PolarHBondContact N-O 2.87Å; C90-Q210 PolarHBondContact SG-O 3.43Å
91F90.6Very high91.5Very high105 Ų10565 Ų6546%0.46134%0.338SS..THydrogen-bonded Turntrans57.827.3177.7-47.9-75.9000115.9F89 K93 Y200 C205F89-F91 PolarHBondContact O-N 3.37Å; F91-K93 PolarHBondContact O-N 2.95Å; F91-Y200 HydrophobicContact CD1-CD1 4.36Å; F91-Y200 AromaticContact CD1-CD2 3.98Å; F91-Y200 HydrophobicContact CD1-CD2 3.98Å; F91-Y200 HydrophobicContact CD1-CE1 4.14Å; F91-Y200 AromaticContact CD1-CE2 3.74Å; F91-Y200 HydrophobicContact CD1-CE2 3.74Å; F91-Y200 HydrophobicContact CD1-CG 4.26Å; F91-Y200 AromaticContact CD1-CZ 3.8Å; F91-Y200 HydrophobicContact CE1-CD1 4.03Å; F91-Y200 AromaticContact CE1-CD2 3.33Å; F91-Y200 HydrophobicContact CE1-CD2 3.33Å; F91-Y200 HydrophobicContact CE1-CE1 4.25Å; F91-Y200 AromaticContact CE1-CE2 3.59Å; F91-Y200 HydrophobicContact CE1-CE2 3.59Å; F91-Y200 AromaticContact CE1-CG 3.56Å; F91-Y200 HydrophobicContact CE1-CG 3.56Å; F91-Y200 HydrophobicContact CE2-CD1 4.48Å; F91-Y200 HydrophobicContact CE2-CG 4.46Å; F91-Y200 HydrophobicContact CG-CE1 4.47Å; F91-Y200 HydrophobicContact CZ-CD1 4.09Å; F91-Y200 AromaticContact CZ-CD2 3.93Å; F91-Y200 HydrophobicContact CZ-CD2 3.93Å; F91-Y200 AromaticContact CZ-CG 3.67Å; F91-Y200 HydrophobicContact CZ-CG 3.67Å; F91-C205 HydrophobicContact CE2-CB 3.94Å; F91-C205 HydrophobicContact CZ-CB 4.44Å
92D92.8Very high91.9Very high39 Ų3963.5 Ų63.521%0.20934%0.337CS..  trans-61.9117.7-177.7-166.6-23.5000113.3F89 C90 A94 Y95 S96 L193F89-D92 HydrophobicContact CB-CB 4.21Å; F89-D92 PolarHBondContact O-N 3.44Å; C90-D92 VanDerWaalsContact C-N 3.26Å; C90-D92 PolarHBondContact O-N 2.85Å; D92-A94 VanDerWaalsContact C-N 3.27Å; D92-A94 PolarHBondContact O-N 2.99Å; D92-A94 VanDerWaalsContact OD1-CB 3.28Å; D92-A94 WeakPolarHBondContact OD1-CB 3.5Å; D92-A94 PolarHBondContact OD1-N 3.47Å; D92-Y95 HydrophobicContact CB-CD2 4.02Å; D92-Y95 PolarHBondContact O-N 3.26Å; D92-Y95 WeakPolarHBondContact OD2-CD2 3.41Å; D92-Y95 WeakPolarHBondContact OD2-CE2 3.21Å; D92-S96 WeakPolarHBondContact O-CB 2.92Å; D92-S96 PolarHBondContact O-N 2.88Å; D92-L193 HydrophobicContact CB-CD1 4.28Å; D92-L193 VanDerWaalsContact O-CD1 3.27Å; D92-L193 WeakPolarHBondContact O-CD1 3.45Å
93K91.3Very high92Very high174 Ų17461.3 Ų61.376%0.75732%0.317SS*.THydrogen-bonded Turntrans-70.1-18.2-179.5-64.1-177.2-178.5177.70113.9F91 Y95F91-K93 PolarHBondContact O-N 2.95Å; K93-Y95 VanDerWaalsContact C-N 3.33Å
94A91.8Very high92Very high44 Ų4465.9 Ų65.936%0.36434%0.341SS..THydrogen-bonded Turntrans-70.4-32.4175.800000111.9D92 H289D92-A94 VanDerWaalsContact C-N 3.27Å; D92-A94 PolarHBondContact O-N 2.99Å; D92-A94 VanDerWaalsContact OD1-CB 3.28Å; D92-A94 WeakPolarHBondContact OD1-CB 3.5Å; D92-A94 PolarHBondContact OD1-N 3.47Å; A94-H289 PolarHBondContact O-CE1 3.33Å
95Y94.4Very high91.9Very high42 Ų4270.1 Ų70.117%0.16535%0.354CS..SBendtrans-108.14.4-175.3-56.6-62.8000113.8D92 K93 Q188 T189 P190 H191 F192 L193 H289D92-Y95 HydrophobicContact CB-CD2 4.02Å; D92-Y95 PolarHBondContact O-N 3.26Å; D92-Y95 WeakPolarHBondContact OD2-CD2 3.41Å; D92-Y95 WeakPolarHBondContact OD2-CE2 3.21Å; K93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-Q188 HydrophobicContact CD1-CB 3.81Å; Y95-Q188 HydrophobicContact CE1-CB 3.61Å; Y95-Q188 WeakPolarHBondContact CE1-O 3.38Å; Y95-T189 WeakPolarHBondContact CD1-O 3.12Å; Y95-P190 CarbonylContact C-O 2.99Å; Y95-P190 WeakPolarHBondContact CA-O 3.27Å; Y95-P190 VanDerWaalsContact O-O 3.12Å; Y95-H191 CarbonylContact O-C 3.07Å; Y95-F192 PolarHBondContact O-N 3.01Å; Y95-L193 WeakPolarHBondContact O-CB 3.33Å; Y95-L193 PolarHBondContact O-N 3.34Å; Y95-H289 AromaticContact CD1-CE1 3.81Å; Y95-H289 AromaticContact CD1-NE2 3.46Å; Y95-H289 WeakPolarHBondContact CD1-NE2 3.23Å; Y95-H289 AromaticContact CE1-CE1 3.67Å; Y95-H289 AromaticContact CE1-NE2 2.96Å; Y95-H289 WeakPolarHBondContact CE1-NE2 3.07Å
96S94.5Very high92Very high66 Ų6666.8 Ų66.846%0.46234%0.338SS..  trans-94.721.4-17882.20000114.5D92D92-S96 WeakPolarHBondContact O-CB 2.92Å; D92-S96 PolarHBondContact O-N 2.88Å
97K95.6Very high92.1Very high87 Ų8771.7 Ų71.738%0.37836%0.358SS..PPolyproline II helixtrans-68.5151.3175.8-59.7-60.6179.5-176.70110.9P190 H191 S194 H286K97-P190 HydrophobicContact CB-CB 4.33Å; K97-P190 WeakPolarHBondContact CB-O 3.39Å; K97-P190 HydrophobicContact CG-CB 3.81Å; K97-P190 VanDerWaalsContact CG-O 3.25Å; K97-P190 WeakPolarHBondContact CG-O 3.14Å; K97-P190 PolarHBondContact N-O 3.11Å; K97-H191 HydrophobicContact CB-CB 4.38Å; K97-H191 WeakPolarHBondContact O-CA 3.46Å; K97-S194 WeakPolarHBondContact O-CB 3.37Å; K97-S194 PolarHBondContact O-OG 3.35Å; K97-H286 HydrophobicContact CB-CB 3.97Å; K97-H286 HydrophobicContact CG-CB 4.32Å
98P94.4Very high92.2Very high89 Ų8971.5 Ų71.558%0.57836%0.356SS*.PPolyproline II helixtrans-61.4146.4176.826.6-35.4000111P100P98-P100 WeakPolarHBondContact O-CD 3.36Å
99Y93.8Very high92.3Very high89 Ų8972.6 Ų72.635%0.34936%0.364SS..PPolyproline II helixtrans-63.4122.2173.8178.5-118.9000109.7G101 S194 L224Y99-G101 VanDerWaalsContact CE1-CA 3.4Å; Y99-G101 PolarHBondContact O-N 3.44Å; Y99-G101 VanDerWaalsContact O-N 3.17Å; Y99-S194 WeakPolarHBondContact CB-OG 3.43Å; Y99-S194 PolarHBondContact N-OG 2.84Å; Y99-L224 HydrophobicContact CE2-CD2 4.47Å; Y99-L224 WeakPolarHBondContact OH-CD2 3.38Å
100P92.4Very high92.2Very high42 Ų4269.6 Ų69.627%0.27335%0.353SS..  trans-76.52.4-17531.1-36.8000114.3P98 E285 R287P98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-E285 HydrophobicContact CB-CB 4.46Å; P100-E285 VanDerWaalsContact CB-O 3.23Å; P100-E285 WeakPolarHBondContact CB-O 3.39Å; P100-E285 WeakPolarHBondContact CG-O 3.21Å; P100-R287 HydrophobicContact CG-CG 3.97Å
101G92.4Very high92.2Very high16 Ų1674.5 Ų74.517%0.16538%0.383CS..  trans85.3174.1-172.100000113.2Y99Y99-G101 VanDerWaalsContact CE1-CA 3.4Å; Y99-G101 PolarHBondContact O-N 3.44Å; Y99-G101 VanDerWaalsContact O-N 3.17Å
102P91.6Very high92.5Very high59 Ų5973.5 Ų73.538%0.38338%0.382SS..  trans-52.4154175.2-23.932.1000113.5D104 Y105 R287P102-D104 PolarHBondContact O-N 3.34Å; P102-Y105 HydrophobicContact CB-CD2 3.99Å; P102-Y105 HydrophobicContact CB-CE2 4.44Å; P102-Y105 HydrophobicContact CG-CD2 3.96Å; P102-Y105 HydrophobicContact CG-CE2 4.16Å; P102-Y105 PolarHBondContact O-N 2.94Å; P102-R287 PolarHBondContact O-NH2 3.48Å
103E87.9Confident92.6Very high67 Ų6771.8 Ų71.831%0.31337%0.373SS..G310 helixtrans-58.7-31179.2-71.2-6415500113.4Y105 S106 P110 R282 R287E103-Y105 PolarHBondContact O-N 2.88Å; E103-S106 WeakPolarHBondContact O-CB 3.3Å; E103-S106 PolarHBondContact O-N 2.74Å; E103-S106 VanDerWaalsContact O-N 3.08Å; E103-P110 HydrophobicContact CB-CG 4.02Å; E103-R282 IonicContact OE1-NH1 3.68Å; E103-R282 IonicContact OE2-CZ 3.58Å; E103-R282 IonicContact OE2-NH1 3.71Å; E103-R282 PolarHBondContact OE2-NH1 2.89Å; E103-R282 IonicContact OE2-NH2 2.67Å; E103-R282 PolarHBondContact OE2-NH2 3.49Å; E103-R287 WeakPolarHBondContact OE1-CD 3.39Å; E103-R287 IonicContact OE1-CZ 2.68Å; E103-R287 IonicContact OE1-NE 3.5Å; E103-R287 PolarHBondContact OE1-NE 3.25Å; E103-R287 VanDerWaalsContact OE1-NE 3.09Å; E103-R287 IonicContact OE2-CZ 3.61Å; E103-R287 IonicContact OE2-NE 2.68Å; E103-R287 IonicContact OE2-NH1 3.78Å
104D88.9Confident92.8Very high118 Ų11867.3 Ų67.363%0.63135%0.352SS*.G310 helixtrans-67.2-23.1-179-55-54000113.6P102P102-D104 PolarHBondContact O-N 3.34Å
105Y89.1Confident93Very high195 Ų19568.2 Ų68.277%0.76536%0.355SS*.G310 helixtrans-944.6175.4-61.1-72.8000113.1P102 E103P102-Y105 HydrophobicContact CB-CD2 3.99Å; P102-Y105 HydrophobicContact CB-CE2 4.44Å; P102-Y105 HydrophobicContact CG-CD2 3.96Å; P102-Y105 HydrophobicContact CG-CE2 4.16Å; P102-Y105 PolarHBondContact O-N 2.94Å; E103-Y105 PolarHBondContact O-N 2.88Å
106S91.3Very high93.2Very high9 Ų970 Ų706%0.06337%0.367CS..SBendtrans-60.1150.3170.6-177.80000111.6E103 A108 P109 E285 R287E103-S106 WeakPolarHBondContact O-CB 3.3Å; E103-S106 PolarHBondContact O-N 2.74Å; E103-S106 VanDerWaalsContact O-N 3.08Å; S106-A108 PolarHBondContact O-N 3.45Å; S106-A108 VanDerWaalsContact OG-C 3.31Å; S106-A108 PolarHBondContact OG-N 2.74Å; S106-A108 PolarHBondContact OG-O 2.92Å; S106-P109 WeakPolarHBondContact O-CD 3.3Å; S106-E285 WeakPolarHBondContact CA-OE2 3.17Å; S106-E285 WeakPolarHBondContact CB-OE2 2.88Å; S106-E285 PolarHBondContact OG-OE2 3.24Å; S106-R287 VanDerWaalsContact CB-NH1 3.28Å; S106-R287 PolarHBondContact OG-NH1 3.23Å; S106-R287 VanDerWaalsContact OG-NH1 3.07Å
107K92.4Very high93.3Very high160 Ų16067.2 Ų67.270%0.69635%0.348SS*.SBendtrans-64.6-19163.4-67.5166.2-173.1174.40113.1V281 E285K107-V281 HydrophobicContact CB-CG1 3.88Å; K107-V281 HydrophobicContact CB-CG2 4.43Å; K107-E285 VanDerWaalsContact CB-OE1 3.29Å; K107-E285 WeakPolarHBondContact CB-OE1 3.38Å; K107-E285 WeakPolarHBondContact CD-OE1 3.37Å; K107-E285 WeakPolarHBondContact CG-OE1 3.27Å; K107-E285 PolarHBondContact N-OE1 3.25Å
108A91.9Very high93.3Very high6 Ų666 Ų665%0.0535%0.347CS..SBendtrans-12972.2172.900000109.2S106 V113 V281 R282S106-A108 PolarHBondContact O-N 3.45Å; S106-A108 VanDerWaalsContact OG-C 3.31Å; S106-A108 PolarHBondContact OG-N 2.74Å; S106-A108 PolarHBondContact OG-O 2.92Å; A108-V113 HydrophobicContact CB-CG2 4.04Å; A108-V281 HydrophobicContact CB-CB 4.1Å; A108-V281 HydrophobicContact CB-CG1 3.66Å; A108-R282 PolarHBondContact O-NH2 2.93Å
109P94.3Very high93.4Very high28 Ų2863.8 Ų63.818%0.18234%0.337CS..  trans-69148.6-177.930.2-32.4000109.8S106 V111 L112 V113S106-P109 WeakPolarHBondContact O-CD 3.3Å; P109-V111 PolarHBondContact O-N 3.27Å; P109-V111 VanDerWaalsContact O-N 3.11Å; P109-L112 HydrophobicContact CG-CB 3.82Å; P109-L112 WeakPolarHBondContact O-CB 3.49Å; P109-L112 PolarHBondContact O-N 2.87Å; P109-V113 PolarHBondContact O-N 2.95Å; P109-V113 VanDerWaalsContact O-N 3.11Å
110P91.9Very high93.5Very high27 Ų2761.9 Ų61.918%0.17533%0.332CS..Hα-helixtrans-54.2-37.3-175-27.935.1000113.6E103 L112 V113 Y114E103-P110 HydrophobicContact CB-CG 4.02Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.4Å; P110-V113 PolarHBondContact O-N 2.92Å; P110-Y114 HydrophobicContact CB-CD2 4.43Å; P110-Y114 HydrophobicContact CB-CE2 4.03Å; P110-Y114 WeakPolarHBondContact O-CB 3.46Å; P110-Y114 PolarHBondContact O-N 3.35Å
111V93.8Very high93.7Very high102 Ų10259.9 Ų59.962%0.61832%0.319SS*.Hα-helixtrans-57.3-44.2176-178.30000111.6P109 S115P109-V111 PolarHBondContact O-N 3.27Å; P109-V111 VanDerWaalsContact O-N 3.11Å; V111-S115 WeakPolarHBondContact O-CB 3.34Å; V111-S115 PolarHBondContact O-N 2.92Å; V111-S115 PolarHBondContact O-OG 3.11Å
112L95.3Very high93.8Very high84 Ų8461.3 Ų61.344%0.4433%0.325SS..Hα-helixtrans-68.4-48.4178-178.170.4000110.9P109 P110 S115 L116P109-L112 HydrophobicContact CG-CB 3.82Å; P109-L112 WeakPolarHBondContact O-CB 3.49Å; P109-L112 PolarHBondContact O-N 2.87Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.4Å; L112-S115 PolarHBondContact O-N 3.47Å; L112-L116 HydrophobicContact CD1-CD1 4.02Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.47Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.44Å
113V95.9Very high94Very high4 Ų462.1 Ų62.12%0.02433%0.328CS..Hα-helixtrans-59.7-51.9-178178.60000110.3A108 P109 P110 S115 L116 V117 D236 V278A108-V113 HydrophobicContact CB-CG2 4.04Å; P109-V113 PolarHBondContact O-N 2.95Å; P109-V113 VanDerWaalsContact O-N 3.11Å; P110-V113 PolarHBondContact O-N 2.92Å; V113-S115 PolarHBondContact O-N 3.39Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 VanDerWaalsContact O-CB 3.23Å; V113-V117 WeakPolarHBondContact O-CB 3.19Å; V113-V117 VanDerWaalsContact O-CG2 3.24Å; V113-V117 WeakPolarHBondContact O-CG2 3.28Å; V113-V117 PolarHBondContact O-N 3.07Å; V113-D236 HydrophobicContact CG1-CB 4.21Å; V113-V278 HydrophobicContact CG1-CG1 4.29Å; V113-V278 HydrophobicContact CG2-CG1 4.07Å; V113-V278 HydrophobicContact CG2-CG2 4.48Å
114Y95.6Very high94.3Very high79 Ų7960.3 Ų60.331%0.3132%0.322SS..Hα-helixtrans-67.4-35.3-178.4-58.7-13.5000112.3P110 T118 K235 L239P110-Y114 HydrophobicContact CB-CD2 4.43Å; P110-Y114 HydrophobicContact CB-CE2 4.03Å; P110-Y114 WeakPolarHBondContact O-CB 3.46Å; P110-Y114 PolarHBondContact O-N 3.35Å; Y114-T118 WeakPolarHBondContact O-CB 3.44Å; Y114-T118 WeakPolarHBondContact O-CG2 3.39Å; Y114-T118 PolarHBondContact O-N 3.36Å; Y114-T118 PolarHBondContact O-OG1 3.11Å; Y114-K235 WeakPolarHBondContact OH-CE 3.44Å; Y114-L239 HydrophobicContact CD1-CD1 4.24Å; Y114-L239 HydrophobicContact CE1-CD1 3.79Å
115S96.6Very high94.4Very high63 Ų6354.8 Ų54.844%0.44129%0.292SS..Hα-helixtrans-64.8-45174-62.40000111.9V111 L112 V113 T118 A119V111-S115 WeakPolarHBondContact O-CB 3.34Å; V111-S115 PolarHBondContact O-N 2.92Å; V111-S115 PolarHBondContact O-OG 3.11Å; L112-S115 PolarHBondContact O-N 3.47Å; V113-S115 PolarHBondContact O-N 3.39Å; S115-T118 PolarHBondContact O-N 3.23Å; S115-T118 PolarHBondContact O-OG1 2.97Å; S115-A119 WeakPolarHBondContact O-CB 3.29Å; S115-A119 PolarHBondContact O-N 3.38Å
116L96.6Very high94.6Very high80 Ų8049.2 Ų49.242%0.41928%0.275SS..Hα-helixtrans-68.6-43.3178.1-68.5175.6000111.8L112 V113 T118 A119 I120L112-L116 HydrophobicContact CD1-CD1 4.02Å; L112-L116 HydrophobicContact CD1-CG 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.95Å; L112-L116 HydrophobicContact CG-CG 4.47Å; L112-L116 WeakPolarHBondContact O-CB 3.33Å; L112-L116 VanDerWaalsContact O-CG 3.32Å; L112-L116 WeakPolarHBondContact O-CG 3.37Å; L112-L116 PolarHBondContact O-N 3.44Å; V113-L116 PolarHBondContact O-N 3.32Å; L116-T118 PolarHBondContact O-N 3.1Å; L116-A119 PolarHBondContact O-N 3.31Å; L116-I120 HydrophobicContact CB-CD1 4.1Å; L116-I120 HydrophobicContact CD2-CD1 4.24Å; L116-I120 WeakPolarHBondContact O-CB 3.5Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 3.2Å
117V97.4Very high94.6Very high8 Ų853.5 Ų53.55%0.04830%0.297CS..Hα-helixtrans-58.1-34.8177.1159.60000111.8V113 P121 Y167 L171 S243V113-V117 HydrophobicContact CG1-CG2 4.27Å; V113-V117 VanDerWaalsContact O-CB 3.23Å; V113-V117 WeakPolarHBondContact O-CB 3.19Å; V113-V117 VanDerWaalsContact O-CG2 3.24Å; V113-V117 WeakPolarHBondContact O-CG2 3.28Å; V113-V117 PolarHBondContact O-N 3.07Å; V117-P121 WeakPolarHBondContact O-CD 3.23Å; V117-P121 VanDerWaalsContact O-CG 3.22Å; V117-P121 WeakPolarHBondContact O-CG 3.29Å; V117-Y167 PolarHBondContact O-OH 3.38Å; V117-L171 HydrophobicContact CG1-CD1 3.44Å; V117-L171 VanDerWaalsContact CG1-CD1 3.44Å; V117-L171 HydrophobicContact CG1-CD2 4.38Å; V117-S243 PolarHBondContact O-OG 2.76Å
118T96.1Very high94.5Very high60 Ų6046.3 Ų46.337%0.36827%0.268SS..Hα-helixtrans-88.8-42.6177.452.30000113.2Y114 S115 L116 T122 L171Y114-T118 WeakPolarHBondContact O-CB 3.44Å; Y114-T118 WeakPolarHBondContact O-CG2 3.39Å; Y114-T118 PolarHBondContact O-N 3.36Å; Y114-T118 PolarHBondContact O-OG1 3.11Å; S115-T118 PolarHBondContact O-N 3.23Å; S115-T118 PolarHBondContact O-OG1 2.97Å; L116-T118 PolarHBondContact O-N 3.1Å; T118-T122 WeakPolarHBondContact O-CB 3.32Å; T118-T122 WeakPolarHBondContact O-CG2 3.32Å; T118-T122 PolarHBondContact O-N 3.08Å; T118-T122 PolarHBondContact O-OG1 3.33Å; T118-L171 HydrophobicContact CG2-CD2 3.95Å
119A96.8Very high94.3Very high44 Ų4446 Ų4636%0.36427%0.265SS..Hα-helixtrans-70.7-43-176.200000113.3S115 L116 T122 V123S115-A119 WeakPolarHBondContact O-CB 3.29Å; S115-A119 PolarHBondContact O-N 3.38Å; L116-A119 PolarHBondContact O-N 3.31Å; A119-T122 WeakPolarHBondContact CA-OG1 3.25Å; A119-T122 PolarHBondContact O-N 3.41Å; A119-T122 PolarHBondContact O-OG1 2.97Å; A119-V123 VanDerWaalsContact O-CB 3.31Å; A119-V123 WeakPolarHBondContact O-CB 3.3Å; A119-V123 VanDerWaalsContact O-CG2 3.27Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 3.43Å
120I96.1Very high94Very high48 Ų4847.8 Ų47.825%0.24628%0.276CS..Hα-helixtrans-62.4-49.8-175.6-66.5170.8000111.6L116 T124 L271L116-I120 HydrophobicContact CB-CD1 4.1Å; L116-I120 HydrophobicContact CD2-CD1 4.24Å; L116-I120 WeakPolarHBondContact O-CB 3.5Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 3.2Å; I120-T124 VanDerWaalsContact O-CB 3.26Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.28Å; I120-T124 PolarHBondContact O-OG1 2.92Å; I120-L271 HydrophobicContact CG2-CD2 3.46Å; I120-L271 VanDerWaalsContact CG2-CD2 3.46Å
121P95.5Very high93.7Very high0 Ų050 Ų500%029%0.289CS..Hα-helixtrans-69.9-40.2179.3-18.633.5000112.1V117 T124 I125 Y167 S243 T247V117-P121 WeakPolarHBondContact O-CD 3.23Å; V117-P121 VanDerWaalsContact O-CG 3.22Å; V117-P121 WeakPolarHBondContact O-CG 3.29Å; P121-T124 PolarHBondContact O-N 3.35Å; P121-I125 WeakPolarHBondContact O-CB 3.34Å; P121-I125 WeakPolarHBondContact O-CD1 3.27Å; P121-I125 WeakPolarHBondContact O-CG1 3.48Å; P121-I125 PolarHBondContact O-N 3.03Å; P121-Y167 HydrophobicContact CB-CD1 4.28Å; P121-Y167 HydrophobicContact CB-CD2 4.31Å; P121-Y167 HydrophobicContact CB-CE1 4.03Å; P121-Y167 HydrophobicContact CB-CE2 4.05Å; P121-Y167 HydrophobicContact CB-CG 4.44Å; P121-Y167 HydrophobicContact CG-CE1 4Å; P121-Y167 HydrophobicContact CG-CE2 3.94Å; P121-S243 WeakPolarHBondContact CG-OG 3.38Å; P121-T247 WeakPolarHBondContact CB-OG1 3.26Å; P121-T247 WeakPolarHBondContact CG-OG1 3.4Å
122T95.3Very high93.2Very high46 Ų4646.5 Ų46.528%0.28227%0.268SS..Hα-helixtrans-61.9-49.3180510000111.5T118 A119 I125 L126 L164T118-T122 WeakPolarHBondContact O-CB 3.32Å; T118-T122 WeakPolarHBondContact O-CG2 3.32Å; T118-T122 PolarHBondContact O-N 3.08Å; T118-T122 PolarHBondContact O-OG1 3.33Å; A119-T122 WeakPolarHBondContact CA-OG1 3.25Å; A119-T122 PolarHBondContact O-N 3.41Å; A119-T122 PolarHBondContact O-OG1 2.97Å; T122-I125 PolarHBondContact O-N 2.99Å; T122-L126 WeakPolarHBondContact O-CB 3.42Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.41Å; T122-L126 PolarHBondContact O-N 3.14Å; T122-L164 HydrophobicContact CG2-CD2 3.85Å
123V95.4Very high92.6Very high76 Ų7646.7 Ų46.746%0.46127%0.266SS..Hα-helixtrans-62.7-43.9176.3173.10000111.1A119 I125 L126 I127A119-V123 VanDerWaalsContact O-CB 3.31Å; A119-V123 WeakPolarHBondContact O-CB 3.3Å; A119-V123 VanDerWaalsContact O-CG2 3.27Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 3.43Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 2.88Å; V123-L126 PolarHBondContact O-N 2.87Å; V123-I127 HydrophobicContact CG1-CD1 3.61Å; V123-I127 HydrophobicContact CG1-CG1 4.29Å; V123-I127 WeakPolarHBondContact O-CB 3.34Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.44Å
124T93.4Very high91.9Very high29 Ų2952.7 Ų52.718%0.17829%0.292CS..Hα-helixtrans-62-40.5178.1-57.20000111.9I120 P121 G128 T247 Y250 V251I120-T124 VanDerWaalsContact O-CB 3.26Å; I120-T124 WeakPolarHBondContact O-CB 3.34Å; I120-T124 PolarHBondContact O-N 3.28Å; I120-T124 PolarHBondContact O-OG1 2.92Å; P121-T124 PolarHBondContact O-N 3.35Å; T124-G128 PolarHBondContact O-N 3.29Å; T124-T247 HydrophobicContact CG2-CG2 3.83Å; T124-Y250 HydrophobicContact CG2-CD1 4.09Å; T124-Y250 HydrophobicContact CG2-CE1 4.25Å; T124-Y250 WeakPolarHBondContact O-CE1 3.21Å; T124-V251 HydrophobicContact CG2-CG2 3.74Å
125I92.8Very high91.1Very high2 Ų252.6 Ų52.61%0.0130%0.3CS..Hα-helixtrans-66.6-50177.6-70.2161.3000110.5P121 T122 V123 I127 G128 E129 F163 L164 Y246 Y250P121-I125 WeakPolarHBondContact O-CB 3.34Å; P121-I125 WeakPolarHBondContact O-CD1 3.27Å; P121-I125 WeakPolarHBondContact O-CG1 3.48Å; P121-I125 PolarHBondContact O-N 3.03Å; T122-I125 PolarHBondContact O-N 2.99Å; V123-I125 VanDerWaalsContact C-N 3.33Å; V123-I125 PolarHBondContact O-N 2.88Å; I125-I127 PolarHBondContact O-N 3.44Å; I125-G128 PolarHBondContact O-N 3.3Å; I125-E129 PolarHBondContact O-N 3.15Å; I125-F163 HydrophobicContact CD1-CB 4.36Å; I125-F163 HydrophobicContact CG2-CB 3.96Å; I125-L164 HydrophobicContact CB-CD2 4.17Å; I125-L164 HydrophobicContact CD1-CD2 3.73Å; I125-L164 HydrophobicContact CG2-CD2 4.09Å; I125-L164 HydrophobicContact CG2-CG 4.28Å; I125-Y246 HydrophobicContact CD1-CE1 4.09Å; I125-Y250 WeakPolarHBondContact CA-OH 3.32Å; I125-Y250 HydrophobicContact CB-CE1 4.36Å; I125-Y250 HydrophobicContact CG1-CD1 4.07Å; I125-Y250 HydrophobicContact CG1-CD2 4.19Å; I125-Y250 HydrophobicContact CG1-CE1 3.98Å; I125-Y250 HydrophobicContact CG1-CE2 4.11Å; I125-Y250 HydrophobicContact CG1-CG 4.17Å; I125-Y250 HydrophobicContact CG2-CE2 4.47Å; I125-Y250 PolarHBondContact O-OH 3.39Å
126L92.9Very high89.8Confident78 Ų7855.1 Ų55.141%0.40830%0.303SS..Hα-helixtrans-57.1-50.4178.2-71170.6000111.9T122 V123 G128 E129 V130 I160T122-L126 WeakPolarHBondContact O-CB 3.42Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.41Å; T122-L126 PolarHBondContact O-N 3.14Å; V123-L126 PolarHBondContact O-N 2.87Å; L126-G128 PolarHBondContact O-N 3.37Å; L126-E129 PolarHBondContact O-N 2.77Å; L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 WeakPolarHBondContact O-CG2 3.15Å; L126-V130 PolarHBondContact O-N 2.72Å; L126-I160 HydrophobicContact CD2-CD1 4.15Å; L126-I160 HydrophobicContact CD2-CG2 3.84Å
127I91.4Very high88.1Confident100 Ų10055.2 Ų55.251%0.51331%0.306SS..Hα-helixtrans-59.1-49.1176.8-67.4171.6000110.2V123 I125 E129 V130 T131V123-I127 HydrophobicContact CG1-CD1 3.61Å; V123-I127 HydrophobicContact CG1-CG1 4.29Å; V123-I127 WeakPolarHBondContact O-CB 3.34Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.44Å; I125-I127 PolarHBondContact O-N 3.44Å; I127-E129 PolarHBondContact O-N 3.3Å; I127-V130 PolarHBondContact O-N 3.03Å; I127-T131 WeakPolarHBondContact O-CB 3.36Å; I127-T131 PolarHBondContact O-N 2.97Å; I127-T131 PolarHBondContact O-OG1 3.24Å
128G89Confident86.2Confident8 Ų863.1 Ų63.18%0.08234%0.343CS..Hα-helixtrans-59.1-41.8-178.600000113.6T124 I125 L126 S132 M254T124-G128 PolarHBondContact O-N 3.29Å; I125-G128 PolarHBondContact O-N 3.3Å; L126-G128 PolarHBondContact O-N 3.37Å; G128-S132 VanDerWaalsContact O-CB 3.29Å; G128-S132 WeakPolarHBondContact O-CB 3.17Å; G128-S132 PolarHBondContact O-N 3.45Å; G128-M254 WeakPolarHBondContact O-CE 3.17Å
129E89Confident84.1Confident1 Ų163.3 Ų63.31%0.00536%0.357CS..Hα-helixtrans-74.5-38.4178.5-66-55.6170.700113I125 L126 I127 S132 F133 R159 I160 F163 Y250 M254I125-E129 PolarHBondContact O-N 3.15Å; L126-E129 PolarHBondContact O-N 2.77Å; I127-E129 PolarHBondContact O-N 3.3Å; E129-S132 PolarHBondContact O-N 3.25Å; E129-F133 PolarHBondContact O-N 3.41Å; E129-R159 WeakPolarHBondContact OE1-CD 3.35Å; E129-R159 IonicContact OE1-NH1 3.46Å; E129-R159 WeakPolarHBondContact OE2-CD 3.2Å; E129-R159 IonicContact OE2-CZ 3.64Å; E129-R159 IonicContact OE2-NE 2.74Å; E129-R159 IonicContact OE2-NH1 3.86Å; E129-R159 PolarHBondContact OE2-NH1 3.47Å; E129-I160 HydrophobicContact CB-CD1 4.2Å; E129-I160 HydrophobicContact CB-CG1 3.79Å; E129-I160 HydrophobicContact CG-CG1 3.8Å; E129-F163 VanDerWaalsContact OE1-CD2 3.23Å; E129-F163 WeakPolarHBondContact OE1-CD2 3.18Å; E129-F163 WeakPolarHBondContact OE1-CE2 3.3Å; E129-Y250 PolarHBondContact N-OH 2.9Å; E129-M254 HydrophobicContact CG-CE 4.3Å; E129-M254 WeakPolarHBondContact OE1-CE 3.42Å; E129-M254 WeakPolarHBondContact OE2-CE 3.49Å
130V88.1Confident81.5Confident65 Ų6564.7 Ų64.739%0.39436%0.364SS..Hα-helixtrans-63.7-45.6175171.10000110.5L126 I127 S132 F133 F134L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 WeakPolarHBondContact O-CG2 3.15Å; L126-V130 PolarHBondContact O-N 2.72Å; I127-V130 PolarHBondContact O-N 3.03Å; V130-S132 VanDerWaalsContact C-N 3.35Å; V130-S132 PolarHBondContact O-N 3.48Å; V130-F133 WeakPolarHBondContact O-CB 3.48Å; V130-F133 PolarHBondContact O-N 3.1Å; V130-F134 HydrophobicContact CG1-CD2 3.87Å; V130-F134 HydrophobicContact CG1-CE2 3.5Å; V130-F134 VanDerWaalsContact CG1-CE2 3.5Å; V130-F134 WeakPolarHBondContact O-CD2 3.4Å; V130-F134 PolarHBondContact O-N 3.22Å
131T85.6Confident79Confident73 Ų7370.3 Ų70.345%0.44839%0.389SS..Hα-helixtrans-62.7-40.4172.6-55.80000111.7I127 F133 F134 V135I127-T131 WeakPolarHBondContact O-CB 3.36Å; I127-T131 PolarHBondContact O-N 2.97Å; I127-T131 PolarHBondContact O-OG1 3.24Å; T131-F133 VanDerWaalsContact C-N 3.26Å; T131-F133 PolarHBondContact O-N 2.77Å; T131-F134 PolarHBondContact O-N 2.87Å; T131-V135 HydrophobicContact CG2-CG2 4.25Å; T131-V135 WeakPolarHBondContact O-CB 3.38Å; T131-V135 WeakPolarHBondContact O-CG2 3.35Å; T131-V135 PolarHBondContact O-N 3.39Å; T131-V135 VanDerWaalsContact O-N 3.11Å
132S81.9Confident76.4Confident28 Ų2877.9 Ų77.920%0.19642%0.424CS..Hα-helixtrans-64.1-30.9176.8-169.70000112.7G128 E129 V130 K136G128-S132 VanDerWaalsContact O-CB 3.29Å; G128-S132 WeakPolarHBondContact O-CB 3.17Å; G128-S132 PolarHBondContact O-N 3.45Å; E129-S132 PolarHBondContact O-N 3.25Å; V130-S132 VanDerWaalsContact C-N 3.35Å; V130-S132 PolarHBondContact O-N 3.48Å; S132-K136 WeakPolarHBondContact O-CB 3.32Å; S132-K136 WeakPolarHBondContact O-CD 3.37Å; S132-K136 WeakPolarHBondContact O-CG 3.21Å; S132-K136 PolarHBondContact O-N 3.17Å
133F83.1Confident74Confident89 Ų8983.7 Ų83.739%0.3945%0.446SS..Hα-helixtrans-66-57.2173.9-175.7-127.9000111.7E129 V130 T131 V135 K136 T137 L156E129-F133 PolarHBondContact O-N 3.41Å; V130-F133 WeakPolarHBondContact O-CB 3.48Å; V130-F133 PolarHBondContact O-N 3.1Å; T131-F133 VanDerWaalsContact C-N 3.26Å; T131-F133 PolarHBondContact O-N 2.77Å; F133-V135 PolarHBondContact O-N 2.84Å; F133-K136 PolarHBondContact O-N 2.94Å; F133-K136 VanDerWaalsContact O-N 3.08Å; F133-T137 PolarHBondContact O-N 3.4Å; F133-T137 PolarHBondContact O-OG1 2.86Å; F133-T137 VanDerWaalsContact O-OG1 3.07Å; F133-L156 HydrophobicContact CB-CD1 3.72Å; F133-L156 HydrophobicContact CB-CD2 3.58Å; F133-L156 HydrophobicContact CB-CG 4.24Å; F133-L156 HydrophobicContact CD1-CD1 3.58Å; F133-L156 HydrophobicContact CD2-CD1 3.63Å; F133-L156 HydrophobicContact CD2-CD2 3.58Å; F133-L156 HydrophobicContact CD2-CG 3.84Å; F133-L156 HydrophobicContact CE1-CD1 3.99Å; F133-L156 HydrophobicContact CE2-CD1 4.02Å; F133-L156 HydrophobicContact CE2-CD2 4.43Å; F133-L156 HydrophobicContact CE2-CG 4.29Å; F133-L156 HydrophobicContact CG-CD1 3.36Å; F133-L156 HydrophobicContact CG-CD2 3.77Å; F133-L156 HydrophobicContact CG-CG 4.01Å; F133-L156 HydrophobicContact CZ-CD1 4.19Å
134F82.3Confident71.4Confident130 Ų13086.4 Ų86.457%0.5746%0.462SS*.Hα-helixtrans-58.7-46.6-176.3-72.1-62.3000111.9V130 T131 K136 T137V130-F134 HydrophobicContact CG1-CD2 3.87Å; V130-F134 HydrophobicContact CG1-CE2 3.5Å; V130-F134 VanDerWaalsContact CG1-CE2 3.5Å; V130-F134 WeakPolarHBondContact O-CD2 3.4Å; V130-F134 PolarHBondContact O-N 3.22Å; T131-F134 PolarHBondContact O-N 2.87Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 3.48Å; F134-T137 WeakPolarHBondContact O-CB 3.22Å; F134-T137 PolarHBondContact O-N 2.94Å
135V77.2Confident69.1Low77 Ų7791.4 Ų91.447%0.46749%0.487SS..Hα-helixtrans-63.3-29.1178.3173.80000112.9T131 F133T131-V135 HydrophobicContact CG2-CG2 4.25Å; T131-V135 WeakPolarHBondContact O-CB 3.38Å; T131-V135 WeakPolarHBondContact O-CG2 3.35Å; T131-V135 PolarHBondContact O-N 3.39Å; T131-V135 VanDerWaalsContact O-N 3.11Å; F133-V135 PolarHBondContact O-N 2.84Å
136K69.4Low66.9Low116 Ų11698 Ų9850%0.50453%0.527SS..Hα-helixtrans-78.9-32.8176.2-79.2178.3174-167.30113.1S132 F133 F134 E138 G139S132-K136 WeakPolarHBondContact O-CB 3.32Å; S132-K136 WeakPolarHBondContact O-CD 3.37Å; S132-K136 WeakPolarHBondContact O-CG 3.21Å; S132-K136 PolarHBondContact O-N 3.17Å; F133-K136 PolarHBondContact O-N 2.94Å; F133-K136 VanDerWaalsContact O-N 3.08Å; F134-K136 VanDerWaalsContact C-N 3.26Å; F134-K136 PolarHBondContact O-N 3.48Å; K136-E138 PolarHBondContact O-N 3.45Å; K136-G139 PolarHBondContact O-N 2.89Å
137T61.4Low64.6Low81 Ų8198.3 Ų98.350%0.49753%0.532SS..Hα-helixtrans-61.2-31.1178.8-60.10000112F133 F134F133-T137 PolarHBondContact O-N 3.4Å; F133-T137 PolarHBondContact O-OG1 2.86Å; F133-T137 VanDerWaalsContact O-OG1 3.07Å; F134-T137 WeakPolarHBondContact O-CB 3.22Å; F134-T137 PolarHBondContact O-N 2.94Å
138E56.9Low62.2Low174 Ų17496.4 Ų96.481%0.81353%0.531SS*.THydrogen-bonded Turntrans-77.4-17.5173.5-62.8-176.311300114.1K136K136-E138 PolarHBondContact O-N 3.45Å
139G52.8Low60.3Low64 Ų64103.5 Ų103.566%0.6657%0.567SS**THydrogen-bonded Turntrans-97.6-32.7-164.600000116.5K136K136-G139 PolarHBondContact O-N 2.89Å
140S43.1Very low58.2Low73 Ų73109.6 Ų109.651%0.5161%0.608SS.*  trans-168.8124.6172.8-173.10000112.1E142S140-E142 PolarHBondContact O-N 3Å; S140-E142 WeakPolarHBondContact OG-CB 3.4Å; S140-E142 PolarHBondContact OG-N 2.92Å; S140-E142 VanDerWaalsContact OG-N 3.16Å
141Q42.5Very low56.4Low166 Ų166110.7 Ų110.778%0.77662%0.618SS**  trans-77.248160.6-84.8-80.6-1.900110.9K143Q141-K143 PolarHBondContact O-N 3.47Å; Q141-K143 VanDerWaalsContact O-N 3.1Å
142E40.8Very low55.1Low160 Ų160115.7 Ų115.775%0.74863%0.63SS**  trans-76.6100.8170-111.6-172.9144.300109.5S140 T144S140-E142 PolarHBondContact O-N 3Å; S140-E142 WeakPolarHBondContact OG-CB 3.4Å; S140-E142 PolarHBondContact OG-N 2.92Å; S140-E142 VanDerWaalsContact OG-N 3.16Å; E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 2.98Å
143K44.9Very low54.1Low168 Ų168119.7 Ų119.773%0.7364%0.644SS**  trans-59.984.2174.8-66.8175.7179.81760111.4Q141 I145Q141-K143 PolarHBondContact O-N 3.47Å; Q141-K143 VanDerWaalsContact O-N 3.1Å; K143-I145 HydrophobicContact CB-CD1 4.12Å; K143-I145 HydrophobicContact CB-CG1 4.05Å; K143-I145 HydrophobicContact CD-CD1 4.11Å; K143-I145 HydrophobicContact CG-CD1 4.04Å; K143-I145 HydrophobicContact CG-CG1 4.43Å; K143-I145 PolarHBondContact O-N 2.88Å; K143-I145 VanDerWaalsContact O-N 3.07Å
144T40.3Very low53.8Low132 Ų132119.9 Ų119.981%0.8165%0.649SS**  trans-81.258.8152.751.60000109.7E142 V146E142-T144 VanDerWaalsContact C-N 3.3Å; E142-T144 PolarHBondContact O-N 2.98Å; T144-V146 VanDerWaalsContact C-N 3.27Å; T144-V146 PolarHBondContact O-N 3.37Å; T144-V146 VanDerWaalsContact O-N 3.11Å
145I46Very low53.6Low134 Ų134117.9 Ų117.969%0.68765%0.649SS**  trans-78.185.4165.3-56.9172.8000106.2K143K143-I145 HydrophobicContact CB-CD1 4.12Å; K143-I145 HydrophobicContact CB-CG1 4.05Å; K143-I145 HydrophobicContact CD-CD1 4.11Å; K143-I145 HydrophobicContact CG-CD1 4.04Å; K143-I145 HydrophobicContact CG-CG1 4.43Å; K143-I145 PolarHBondContact O-N 2.88Å; K143-I145 VanDerWaalsContact O-N 3.07Å
146V45.9Very low53.8Low141 Ų141116.1 Ų116.186%0.85564%0.637SS**  trans-133.979.9165.8-172.90000106.8T144T144-V146 VanDerWaalsContact C-N 3.27Å; T144-V146 PolarHBondContact O-N 3.37Å; T144-V146 VanDerWaalsContact O-N 3.11Å
147T45.6Very low54.4Low85 Ų85114.5 Ų114.552%0.52163%0.634SS.*  trans-124.3130.8177.6-60.10000107.7Y152T147-Y152 HydrophobicContact CG2-CD2 4.18Å
148A40.3Very low55.4Low60 Ų60117.2 Ų117.250%0.49664%0.635SS.*  trans-91.1147.2172.700000110.6T51 C150T51-A148 HydrophobicContact CG2-CB 4.32Å; A148-C150 PolarHBondContact O-N 3.46Å
149D49Very low56.6Low157 Ų157112.9 Ų112.984%0.8461%0.611SS**THydrogen-bonded Turntrans-72.3114.7-175.2-61-61.6000112.7
150C46.1Very low58.3Low128 Ų128111.3 Ų111.387%0.86559%0.587SS**THydrogen-bonded Turntrans173.8-18.9142.3-104.40000112.4A148A148-C150 PolarHBondContact O-N 3.46Å
151C50.2Low60.4Low89 Ų89111.5 Ų111.560%0.60159%0.585SS**  trans-143.688.9178.6-76.10000111.6F153C151-F153 VanDerWaalsContact C-N 3.34Å; C151-F153 HydrophobicContact CB-CD2 4.16Å; C151-F153 HydrophobicContact CB-CE2 4.14Å; C151-F153 PolarHBondContact O-N 2.94Å
152Y57.2Low62.4Low178 Ų178108.2 Ų108.270%0.69857%0.565SS**  trans-75.382.5176.3-169.2-91.2000111.2T147T147-Y152 HydrophobicContact CG2-CD2 4.18Å
153F60.5Low64.8Low111 Ų111101.9 Ų101.949%0.48754%0.536SS..  trans-83.8120.3169-79-67.8000110.9C151 L157C151-F153 VanDerWaalsContact C-N 3.34Å; C151-F153 HydrophobicContact CB-CD2 4.16Å; C151-F153 HydrophobicContact CB-CE2 4.14Å; C151-F153 PolarHBondContact O-N 2.94Å; F153-L157 HydrophobicContact CD1-CD2 3.83Å; F153-L157 HydrophobicContact CE1-CD2 4.13Å
154N76.8Confident67Low93 Ų9395.8 Ų95.850%0.49751%0.51SS..  trans-48.6133.4170.6-81-36.9000110.4L156 L157 R158N154-L156 PolarHBondContact O-N 3.23Å; N154-L157 HydrophobicContact CB-CB 4.45Å; N154-L157 PolarHBondContact O-N 3.26Å; N154-R158 PolarHBondContact O-N 2.93Å
155P77.9Confident69.4Low88 Ų8890.9 Ų90.957%0.57149%0.486SS*.Hα-helixtrans-60.7-24.1-175.222.7-33.3000113R159P155-R159 PolarHBondContact O-N 2.84Å
156L82Confident71.6Confident41 Ų4185.1 Ų85.122%0.21546%0.457CS..Hα-helixtrans-64.9-51170.2-55.7-178.3000112.5F133 N154 R158 R159 I160F133-L156 HydrophobicContact CB-CD1 3.72Å; F133-L156 HydrophobicContact CB-CD2 3.58Å; F133-L156 HydrophobicContact CB-CG 4.24Å; F133-L156 HydrophobicContact CD1-CD1 3.58Å; F133-L156 HydrophobicContact CD2-CD1 3.63Å; F133-L156 HydrophobicContact CD2-CD2 3.58Å; F133-L156 HydrophobicContact CD2-CG 3.84Å; F133-L156 HydrophobicContact CE1-CD1 3.99Å; F133-L156 HydrophobicContact CE2-CD1 4.02Å; F133-L156 HydrophobicContact CE2-CD2 4.43Å; F133-L156 HydrophobicContact CE2-CG 4.29Å; F133-L156 HydrophobicContact CG-CD1 3.36Å; F133-L156 HydrophobicContact CG-CD2 3.77Å; F133-L156 HydrophobicContact CG-CG 4.01Å; F133-L156 HydrophobicContact CZ-CD1 4.19Å; N154-L156 PolarHBondContact O-N 3.23Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.46Å; L156-R159 PolarHBondContact O-N 3.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 3.41Å
157L81.6Confident74Confident82 Ų8278.6 Ų78.643%0.42942%0.417SS..Hα-helixtrans-63.7-41.8-176.1-167.1148.3000110.2F153 N154 R159 I160 V161F153-L157 HydrophobicContact CD1-CD2 3.83Å; F153-L157 HydrophobicContact CE1-CD2 4.13Å; N154-L157 HydrophobicContact CB-CB 4.45Å; N154-L157 PolarHBondContact O-N 3.26Å; L157-R159 PolarHBondContact O-N 3.3Å; L157-I160 PolarHBondContact O-N 2.96Å; L157-V161 HydrophobicContact CD2-CG2 3.73Å; L157-V161 HydrophobicContact CG-CG2 4.41Å; L157-V161 VanDerWaalsContact O-CB 3.32Å; L157-V161 WeakPolarHBondContact O-CB 3.42Å; L157-V161 VanDerWaalsContact O-CG2 3.25Å; L157-V161 WeakPolarHBondContact O-CG2 3.43Å; L157-V161 PolarHBondContact O-N 2.86Å
158R82.1Confident76.4Confident138 Ų13876.4 Ų76.452%0.52141%0.405SS..Hα-helixtrans-53.1-41.8171.5-177.1-172.7-65.4-107.42.2112.4N154 L156 R162N154-R158 PolarHBondContact O-N 2.93Å; L156-R158 VanDerWaalsContact C-N 3.32Å; L156-R158 PolarHBondContact O-N 3.46Å; R158-R162 WeakPolarHBondContact O-CB 3.35Å; R158-R162 PolarHBondContact O-N 3.36Å; R158-R162 VanDerWaalsContact O-N 3.16Å
159R83Confident79Confident83 Ų8376.5 Ų76.531%0.31340%0.395SS..Hα-helixtrans-79.2-41.1-176.3-164.8-163.7-95.1-162.8-16.3112.4E129 P155 L156 L157 R162 F163E129-R159 WeakPolarHBondContact OE1-CD 3.35Å; E129-R159 IonicContact OE1-NH1 3.46Å; E129-R159 WeakPolarHBondContact OE2-CD 3.2Å; E129-R159 IonicContact OE2-CZ 3.64Å; E129-R159 IonicContact OE2-NE 2.74Å; E129-R159 IonicContact OE2-NH1 3.86Å; E129-R159 PolarHBondContact OE2-NH1 3.47Å; P155-R159 PolarHBondContact O-N 2.84Å; L156-R159 PolarHBondContact O-N 3.43Å; L157-R159 PolarHBondContact O-N 3.3Å; R159-R162 PolarHBondContact O-N 3.33Å; R159-F163 HydrophobicContact CG-CD2 3.97Å; R159-F163 HydrophobicContact CG-CE2 3.79Å; R159-F163 WeakPolarHBondContact O-CD2 3.33Å; R159-F163 PolarHBondContact O-N 3.07Å
160I88.4Confident81.2Confident30 Ų3069 Ų6915%0.15436%0.355CS..Hα-helixtrans-58.5-51.6172.5-69164.6000109.7L126 E129 L156 L157 R162 F163 L164L126-I160 HydrophobicContact CD2-CD1 4.15Å; L126-I160 HydrophobicContact CD2-CG2 3.84Å; E129-I160 HydrophobicContact CB-CD1 4.2Å; E129-I160 HydrophobicContact CB-CG1 3.79Å; E129-I160 HydrophobicContact CG-CG1 3.8Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 3.41Å; L157-I160 PolarHBondContact O-N 2.96Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 2.98Å; I160-F163 PolarHBondContact O-N 3.36Å; I160-L164 HydrophobicContact CG2-CD1 3.62Å; I160-L164 HydrophobicContact CG2-CG 4.15Å; I160-L164 WeakPolarHBondContact O-CB 3.31Å; I160-L164 WeakPolarHBondContact O-CG 3.3Å; I160-L164 PolarHBondContact O-N 3.42Å
161V86.6Confident83.7Confident77 Ų7763.9 Ų63.947%0.46732%0.319SS..Hα-helixtrans-55.9-41.9176.51680000111.1L157 G165L157-V161 HydrophobicContact CD2-CG2 3.73Å; L157-V161 HydrophobicContact CG-CG2 4.41Å; L157-V161 VanDerWaalsContact O-CB 3.32Å; L157-V161 WeakPolarHBondContact O-CB 3.42Å; L157-V161 VanDerWaalsContact O-CG2 3.25Å; L157-V161 WeakPolarHBondContact O-CG2 3.43Å; L157-V161 PolarHBondContact O-N 2.86Å; V161-G165 WeakPolarHBondContact O-CA 3.47Å; V161-G165 PolarHBondContact O-N 3.47Å
162R86.1Confident85.9Confident97 Ų9762.7 Ų62.737%0.36630%0.303SS..Hα-helixtrans-64.9-46.3177.8-177.1174.1163.3-147.6-23.7113.1R158 R159 I160 V166 F315R158-R162 WeakPolarHBondContact O-CB 3.35Å; R158-R162 PolarHBondContact O-N 3.36Å; R158-R162 VanDerWaalsContact O-N 3.16Å; R159-R162 PolarHBondContact O-N 3.33Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 2.98Å; R162-V166 WeakPolarHBondContact O-CG2 3.27Å; R162-V166 PolarHBondContact O-N 3.04Å; R162-V166 VanDerWaalsContact O-N 3.14Å; R162-F315 VanDerWaalsContact NH2-CD2 3.28Å
163F89.3Confident87.8Confident28 Ų2854.9 Ų54.912%0.12328%0.276CS..Hα-helixtrans-71.1-36178.9-77.8-61.9000113I125 E129 R159 I160 Y167 Y246 Y250 I312I125-F163 HydrophobicContact CD1-CB 4.36Å; I125-F163 HydrophobicContact CG2-CB 3.96Å; E129-F163 VanDerWaalsContact OE1-CD2 3.23Å; E129-F163 WeakPolarHBondContact OE1-CD2 3.18Å; E129-F163 WeakPolarHBondContact OE1-CE2 3.3Å; R159-F163 HydrophobicContact CG-CD2 3.97Å; R159-F163 HydrophobicContact CG-CE2 3.79Å; R159-F163 WeakPolarHBondContact O-CD2 3.33Å; R159-F163 PolarHBondContact O-N 3.07Å; I160-F163 PolarHBondContact O-N 3.36Å; F163-Y167 VanDerWaalsContact O-CB 3.27Å; F163-Y167 WeakPolarHBondContact O-CB 3.25Å; F163-Y167 PolarHBondContact O-N 3.43Å; F163-Y167 VanDerWaalsContact O-N 3.1Å; F163-Y246 PolarHBondContact O-OH 2.98Å; F163-Y250 HydrophobicContact CD1-CD2 4.26Å; F163-Y250 HydrophobicContact CD1-CE2 4.48Å; F163-Y250 HydrophobicContact CD2-CE2 4.05Å; F163-Y250 HydrophobicContact CE1-CD2 4.32Å; F163-Y250 HydrophobicContact CE2-CE2 4.16Å; F163-Y250 HydrophobicContact CG-CD2 4.41Å; F163-Y250 HydrophobicContact CG-CE2 4.23Å; F163-Y250 HydrophobicContact CZ-CE2 4.43Å; F163-I312 HydrophobicContact CD1-CD1 4.01Å; F163-I312 HydrophobicContact CE1-CD1 3.97Å; F163-I312 HydrophobicContact CE1-CG1 4.37Å; F163-I312 HydrophobicContact CE1-CG2 4.01Å
164L92.3Very high89.6Confident39 Ų3949.6 Ų49.620%0.20425%0.252CS..Hα-helixtrans-73.9-34.1175.6-66.6-176.4000112.4T122 I125 I160 Y167 S168T122-L164 HydrophobicContact CG2-CD2 3.85Å; I125-L164 HydrophobicContact CB-CD2 4.17Å; I125-L164 HydrophobicContact CD1-CD2 3.73Å; I125-L164 HydrophobicContact CG2-CD2 4.09Å; I125-L164 HydrophobicContact CG2-CG 4.28Å; I160-L164 HydrophobicContact CG2-CD1 3.62Å; I160-L164 HydrophobicContact CG2-CG 4.15Å; I160-L164 WeakPolarHBondContact O-CB 3.31Å; I160-L164 WeakPolarHBondContact O-CG 3.3Å; I160-L164 PolarHBondContact O-N 3.42Å; L164-Y167 PolarHBondContact O-N 3.3Å; L164-S168 VanDerWaalsContact O-CB 3.29Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 3.26Å; L164-S168 PolarHBondContact O-OG 3.09Å
165G91.3Very high90.5Very high29 Ų2946 Ų4630%0.29923%0.234SC..Hα-helixtrans-64.7-52.2175.700000111.5V161 Y167 S168 F169V161-G165 WeakPolarHBondContact O-CA 3.47Å; V161-G165 PolarHBondContact O-N 3.47Å; G165-Y167 VanDerWaalsContact C-N 3.28Å; G165-Y167 PolarHBondContact O-N 3.04Å; G165-S168 PolarHBondContact O-N 3.42Å; G165-F169 WeakPolarHBondContact O-CB 3.28Å; G165-F169 PolarHBondContact O-N 3.03Å
166V92.1Very high91.4Very high13 Ų1343 Ų438%0.07921%0.213CC..Hα-helixtrans-61.9-36.8175.4177.20000111.7R162 G170 Y246 L307 V311 I312R162-V166 WeakPolarHBondContact O-CG2 3.27Å; R162-V166 PolarHBondContact O-N 3.04Å; R162-V166 VanDerWaalsContact O-N 3.14Å; V166-G170 PolarHBondContact O-N 3.47Å; V166-G170 VanDerWaalsContact O-N 3.15Å; V166-Y246 HydrophobicContact CG1-CE2 4.12Å; V166-L307 HydrophobicContact CG1-CB 4.23Å; V166-V311 HydrophobicContact CG1-CG1 4.47Å; V166-V311 HydrophobicContact CG2-CG1 3.99Å; V166-I312 HydrophobicContact CG1-CD1 4.32Å; V166-I312 HydrophobicContact CG1-CG1 4.42Å
167Y95.3Very high92.1Very high4 Ų447.3 Ų47.32%0.01623%0.23CC..Hα-helixtrans-63.4-49.8174.1-178.7-106.6000112.2V117 P121 F163 L164 G165 F169 G170 L171 Y242 S243 Y246V117-Y167 PolarHBondContact O-OH 3.38Å; P121-Y167 HydrophobicContact CB-CD1 4.28Å; P121-Y167 HydrophobicContact CB-CD2 4.31Å; P121-Y167 HydrophobicContact CB-CE1 4.03Å; P121-Y167 HydrophobicContact CB-CE2 4.05Å; P121-Y167 HydrophobicContact CB-CG 4.44Å; P121-Y167 HydrophobicContact CG-CE1 4Å; P121-Y167 HydrophobicContact CG-CE2 3.94Å; F163-Y167 VanDerWaalsContact O-CB 3.27Å; F163-Y167 WeakPolarHBondContact O-CB 3.25Å; F163-Y167 PolarHBondContact O-N 3.43Å; F163-Y167 VanDerWaalsContact O-N 3.1Å; L164-Y167 PolarHBondContact O-N 3.3Å; G165-Y167 VanDerWaalsContact C-N 3.28Å; G165-Y167 PolarHBondContact O-N 3.04Å; Y167-F169 VanDerWaalsContact C-N 3.35Å; Y167-F169 PolarHBondContact O-N 2.99Å; Y167-G170 PolarHBondContact O-N 2.94Å; Y167-L171 HydrophobicContact CE1-CD2 4.3Å; Y167-L171 WeakPolarHBondContact O-CB 3.38Å; Y167-L171 PolarHBondContact O-N 3.28Å; Y167-Y242 WeakPolarHBondContact CA-OH 3.24Å; Y167-Y242 AromaticContact CD2-CE1 3.77Å; Y167-Y242 HydrophobicContact CD2-CE1 3.77Å; Y167-Y242 AromaticContact CE2-CD1 3.99Å; Y167-Y242 HydrophobicContact CE2-CD1 3.99Å; Y167-Y242 AromaticContact CE2-CE1 3.31Å; Y167-Y242 HydrophobicContact CE2-CE1 3.31Å; Y167-Y242 AromaticContact CZ-CE1 3.93Å; Y167-Y242 PolarHBondContact O-OH 3.02Å; Y167-S243 WeakPolarHBondContact OH-CB 3.23Å; Y167-S243 PolarHBondContact OH-OG 3.25Å; Y167-Y246 AromaticContact CD2-CD1 3.4Å; Y167-Y246 HydrophobicContact CD2-CD1 3.4Å; Y167-Y246 VanDerWaalsContact CD2-CD1 3.4Å; Y167-Y246 HydrophobicContact CD2-CD2 4.31Å; Y167-Y246 AromaticContact CD2-CE1 3.75Å; Y167-Y246 HydrophobicContact CD2-CE1 3.75Å; Y167-Y246 AromaticContact CD2-CG 3.7Å; Y167-Y246 HydrophobicContact CD2-CG 3.7Å; Y167-Y246 HydrophobicContact CE2-CD1 4.19Å; Y167-Y246 HydrophobicContact CE2-CG 4.3Å; Y167-Y246 HydrophobicContact CG-CD1 4.19Å; Y167-Y246 HydrophobicContact CG-CE1 4.1Å; Y167-Y246 PolarHBondContact N-OH 2.85Å
168S95.8Very high92.8Very high39 Ų3943.4 Ų43.427%0.27321%0.21SC..Hα-helixtrans-62.1-43.4179.9-56.50000111.2L164 G165 G170 L171 F172L164-S168 VanDerWaalsContact O-CB 3.29Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 3.26Å; L164-S168 PolarHBondContact O-OG 3.09Å; G165-S168 PolarHBondContact O-N 3.42Å; S168-G170 PolarHBondContact O-N 3.38Å; S168-L171 WeakPolarHBondContact O-CB 3.35Å; S168-L171 PolarHBondContact O-N 2.97Å; S168-F172 WeakPolarHBondContact O-CD2 3.24Å; S168-F172 PolarHBondContact O-N 2.88Å
169F95.3Very high93.5Very high63 Ų6337.1 Ų37.128%0.27619%0.186SC..Hα-helixtrans-55-51.2175.5178.4-102000111.6I64 M65 T68 G165 Y167 L171 F172 A173 L307I64-F169 HydrophobicContact CG2-CD2 4.2Å; I64-F169 HydrophobicContact CG2-CE2 3.71Å; M65-F169 VanDerWaalsContact SD-CA 3.58Å; M65-F169 HydrophobicContact SD-CB 3.55Å; M65-F169 VanDerWaalsContact SD-CB 3.55Å; M65-F169 HydrophobicContact SD-CD2 3.98Å; M65-F169 HydrophobicContact SD-CG 4.28Å; T68-F169 HydrophobicContact CG2-CD2 4.14Å; T68-F169 HydrophobicContact CG2-CE2 3.74Å; G165-F169 WeakPolarHBondContact O-CB 3.28Å; G165-F169 PolarHBondContact O-N 3.03Å; Y167-F169 VanDerWaalsContact C-N 3.35Å; Y167-F169 PolarHBondContact O-N 2.99Å; F169-L171 VanDerWaalsContact C-N 3.31Å; F169-L171 PolarHBondContact O-N 2.95Å; F169-F172 PolarHBondContact O-N 3.4Å; F169-A173 VanDerWaalsContact O-CB 3.32Å; F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.15Å; F169-L307 HydrophobicContact CD1-CD1 4.22Å; F169-L307 HydrophobicContact CD1-CD2 3.88Å; F169-L307 HydrophobicContact CE1-CD2 3.97Å
170G96.3Very high94Very high0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-68.1-29.7179.600000113.8V166 Y167 S168 T174 Y242V166-G170 PolarHBondContact O-N 3.47Å; V166-G170 VanDerWaalsContact O-N 3.15Å; Y167-G170 PolarHBondContact O-N 2.94Å; S168-G170 PolarHBondContact O-N 3.38Å; G170-T174 VanDerWaalsContact O-CB 3.32Å; G170-T174 WeakPolarHBondContact O-CB 3.31Å; G170-T174 PolarHBondContact O-N 2.8Å; G170-T174 PolarHBondContact O-OG1 3Å; G170-Y242 VanDerWaalsContact C-CZ 3.45Å; G170-Y242 WeakPolarHBondContact CA-OH 3.21Å
171L97.3Very high94.4Very high20 Ų2033.9 Ų33.911%0.10518%0.184CC..Hα-helixtrans-64.7-52173.3-172.767.3000110.8V117 T118 Y167 S168 F169 A173 T174 T175 L239 Y242V117-L171 HydrophobicContact CG1-CD1 3.44Å; V117-L171 VanDerWaalsContact CG1-CD1 3.44Å; V117-L171 HydrophobicContact CG1-CD2 4.38Å; T118-L171 HydrophobicContact CG2-CD2 3.95Å; Y167-L171 HydrophobicContact CE1-CD2 4.3Å; Y167-L171 WeakPolarHBondContact O-CB 3.38Å; Y167-L171 PolarHBondContact O-N 3.28Å; S168-L171 WeakPolarHBondContact O-CB 3.35Å; S168-L171 PolarHBondContact O-N 2.97Å; F169-L171 VanDerWaalsContact C-N 3.31Å; F169-L171 PolarHBondContact O-N 2.95Å; L171-A173 PolarHBondContact O-N 2.91Å; L171-T174 PolarHBondContact O-N 3.36Å; L171-T175 PolarHBondContact O-N 3.25Å; L171-T175 PolarHBondContact O-OG1 3.43Å; L171-L239 HydrophobicContact CD1-CD2 3.7Å; L171-Y242 HydrophobicContact CB-CD1 4.48Å; L171-Y242 HydrophobicContact CB-CE1 4Å; L171-Y242 HydrophobicContact CD1-CD1 4.14Å; L171-Y242 HydrophobicContact CD1-CE1 4.42Å
172F97.3Very high94.8Very high63 Ų6330.9 Ų30.928%0.27617%0.165SC..Hα-helixtrans-64-39.4176.4-70.8-66000112.5M65 V69 A72 S168 F169 T174 T175 I176M65-F172 HydrophobicContact CE-CD2 4.06Å; M65-F172 HydrophobicContact CE-CE2 4.35Å; V69-F172 HydrophobicContact CG2-CD1 4.27Å; V69-F172 HydrophobicContact CG2-CD2 3.74Å; V69-F172 HydrophobicContact CG2-CE1 4.07Å; V69-F172 HydrophobicContact CG2-CE2 3.54Å; V69-F172 HydrophobicContact CG2-CG 4.14Å; V69-F172 HydrophobicContact CG2-CZ 3.73Å; A72-F172 HydrophobicContact CB-CD1 3.88Å; S168-F172 WeakPolarHBondContact O-CD2 3.24Å; S168-F172 PolarHBondContact O-N 2.88Å; F169-F172 PolarHBondContact O-N 3.4Å; F172-T174 VanDerWaalsContact C-N 3.34Å; F172-T174 PolarHBondContact O-N 2.92Å; F172-T175 WeakPolarHBondContact O-CB 3.38Å; F172-T175 PolarHBondContact O-N 3.47Å; F172-I176 WeakPolarHBondContact O-CD1 3.14Å; F172-I176 VanDerWaalsContact O-CG1 3.29Å; F172-I176 WeakPolarHBondContact O-CG1 3.29Å; F172-I176 PolarHBondContact O-N 3.48Å
173A96.7Very high95.2Very high14 Ų1427.1 Ų27.112%0.11615%0.152CC..Hα-helixtrans-59.4-44.4173.100000111.6F169 L171 T175 I176 F177F169-A173 VanDerWaalsContact O-CB 3.32Å; F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.15Å; L171-A173 PolarHBondContact O-N 2.91Å; A173-T175 PolarHBondContact O-N 2.9Å; A173-I176 PolarHBondContact O-N 2.85Å; A173-F177 VanDerWaalsContact O-CD2 3.23Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 2.91Å
174T97.6Very high95.4Very high0 Ų031 Ų310%018%0.178CC..Hα-helixtrans-62.7-41.1176.7-56.30000111.5G170 L171 F172 F177 A178 A238 L239 I303G170-T174 VanDerWaalsContact O-CB 3.32Å; G170-T174 WeakPolarHBondContact O-CB 3.31Å; G170-T174 PolarHBondContact O-N 2.8Å; G170-T174 PolarHBondContact O-OG1 3Å; L171-T174 PolarHBondContact O-N 3.36Å; F172-T174 VanDerWaalsContact C-N 3.34Å; F172-T174 PolarHBondContact O-N 2.92Å; T174-F177 PolarHBondContact O-N 3.48Å; T174-A178 WeakPolarHBondContact O-CB 3.34Å; T174-A178 PolarHBondContact O-N 2.87Å; T174-A238 HydrophobicContact CG2-CB 3.72Å; T174-L239 HydrophobicContact CG2-CD2 3.82Å; T174-L239 HydrophobicContact CG2-CG 4.46Å; T174-I303 HydrophobicContact CG2-CD1 4.37Å; T174-I303 WeakPolarHBondContact OG1-CD1 3.23Å
175T96.8Very high95.5Very high19 Ų1931 Ų3112%0.11718%0.179CC..Hα-helixtrans-59.7-46.9172.5-59.80000111.8A72 L171 F172 A173 A178 N179 L239A72-T175 HydrophobicContact CB-CG2 4.37Å; L171-T175 PolarHBondContact O-N 3.25Å; L171-T175 PolarHBondContact O-OG1 3.43Å; F172-T175 WeakPolarHBondContact O-CB 3.38Å; F172-T175 PolarHBondContact O-N 3.47Å; A173-T175 PolarHBondContact O-N 2.9Å; T175-A178 PolarHBondContact O-N 2.9Å; T175-N179 WeakPolarHBondContact O-CB 3.47Å; T175-N179 PolarHBondContact O-N 3.48Å; T175-L239 WeakPolarHBondContact OG1-CD2 3.3Å
176I96.6Very high95.6Very high24 Ų2429.6 Ų29.612%0.12317%0.165CC..Hα-helixtrans-61.3-49.1178.5-68.1158.8000110.7L71 A72 F75 F172 A173 A178 N179 A180L71-I176 HydrophobicContact CB-CD1 4.17Å; L71-I176 HydrophobicContact CD2-CD1 4.08Å; L71-I176 HydrophobicContact CD2-CG2 4.27Å; L71-I176 HydrophobicContact CG-CD1 4.13Å; L71-I176 HydrophobicContact CG-CG1 4.31Å; A72-I176 HydrophobicContact CB-CD1 4.31Å; A72-I176 HydrophobicContact CB-CG1 3.9Å; F75-I176 HydrophobicContact CD2-CG2 4.11Å; F75-I176 HydrophobicContact CE2-CG2 3.98Å; F172-I176 WeakPolarHBondContact O-CD1 3.14Å; F172-I176 VanDerWaalsContact O-CG1 3.29Å; F172-I176 WeakPolarHBondContact O-CG1 3.29Å; F172-I176 PolarHBondContact O-N 3.48Å; A173-I176 PolarHBondContact O-N 2.85Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.45Å; I176-N179 PolarHBondContact O-N 3.42Å; I176-A180 WeakPolarHBondContact O-CB 3.29Å; I176-A180 PolarHBondContact O-N 3.24Å
177F96.7Very high95.8Very high131 Ų13130.3 Ų30.358%0.57517%0.169SC*.Hα-helixtrans-60.6-41.7178.5-85-69.4000112.3A173 T174 G181 T299 I303A173-F177 VanDerWaalsContact O-CD2 3.23Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 2.91Å; T174-F177 PolarHBondContact O-N 3.48Å; F177-G181 PolarHBondContact O-N 3.43Å; F177-T299 HydrophobicContact CB-CG2 4.25Å; F177-I303 HydrophobicContact CB-CD1 4.39Å; F177-I303 HydrophobicContact CD2-CD1 3.69Å; F177-I303 HydrophobicContact CE2-CD1 4.38Å; F177-I303 HydrophobicContact CG-CD1 4.31Å
178A96.6Very high95.8Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-66.5-50.9177.900000112T174 T175 I176 A180 G181 Q182 P233 K235T174-A178 WeakPolarHBondContact O-CB 3.34Å; T174-A178 PolarHBondContact O-N 2.87Å; T175-A178 PolarHBondContact O-N 2.9Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.45Å; A178-A180 PolarHBondContact O-N 2.99Å; A178-G181 PolarHBondContact O-N 3.46Å; A178-Q182 WeakPolarHBondContact O-CG 3.4Å; A178-Q182 PolarHBondContact O-N 2.98Å; A178-P233 HydrophobicContact CB-CG 4.44Å; A178-K235 HydrophobicContact CB-CB 3.89Å; A178-K235 HydrophobicContact CB-CG 4.02Å
179N95.7Very high95.8Very high6 Ų628.6 Ų28.63%0.03216%0.157CC..Hα-helixtrans-65-40.4-179.8-73.2-16.6000111.9F75 E76 T175 I176 Q182 V183 K235F75-N179 HydrophobicContact CB-CB 3.77Å; F75-N179 HydrophobicContact CD1-CB 4.35Å; F75-N179 HydrophobicContact CG-CB 4.25Å; E76-N179 PolarHBondContact OE2-ND2 3.46Å; E76-N179 PolarHBondContact OE2-OD1 3.27Å; T175-N179 WeakPolarHBondContact O-CB 3.47Å; T175-N179 PolarHBondContact O-N 3.48Å; I176-N179 PolarHBondContact O-N 3.42Å; N179-Q182 PolarHBondContact O-N 2.98Å; N179-V183 WeakPolarHBondContact O-CG2 3.12Å; N179-V183 PolarHBondContact O-N 3.23Å; N179-K235 WeakPolarHBondContact OD1-CD 3.46Å; N179-K235 PolarHBondContact OD1-NZ 3.4Å
180A95.1Very high95.9Very high27 Ų2726 Ų2622%0.22315%0.147CC..Hα-helixtrans-61.8-43.5174.200000111.3F75 I176 A178 Q182 V183 V184F75-A180 HydrophobicContact CE1-CB 4.1Å; F75-A180 HydrophobicContact CZ-CB 4.03Å; I176-A180 WeakPolarHBondContact O-CB 3.29Å; I176-A180 PolarHBondContact O-N 3.24Å; A178-A180 PolarHBondContact O-N 2.99Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 2.69Å; A180-V183 PolarHBondContact O-N 2.94Å; A180-V184 VanDerWaalsContact O-CB 3.29Å; A180-V184 WeakPolarHBondContact O-CB 3.48Å; A180-V184 VanDerWaalsContact O-CG2 3.24Å; A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 2.83Å
181G95.4Very high95.8Very high18 Ų1826.7 Ų26.719%0.18615%0.15CC..Hα-helixtrans-59.4-41.4173.800000113F177 A178 T185 F232F177-G181 PolarHBondContact O-N 3.43Å; A178-G181 PolarHBondContact O-N 3.46Å; G181-T185 WeakPolarHBondContact O-CB 3.38Å; G181-T185 WeakPolarHBondContact O-CG2 3.32Å; G181-T185 PolarHBondContact O-N 2.69Å; G181-T185 PolarHBondContact O-OG1 3.21Å; G181-F232 CarbonylContact C-O 3.45Å
182Q95.8Very high95.8Very high15 Ų1525.8 Ų25.87%0.0715%0.145CC..Hα-helixtrans-64.6-43.9177.2-72.2175.2-0.500112.5A178 N179 A180 G186 K230 F232 P233A178-Q182 WeakPolarHBondContact O-CG 3.4Å; A178-Q182 PolarHBondContact O-N 2.98Å; N179-Q182 PolarHBondContact O-N 2.98Å; A180-Q182 VanDerWaalsContact C-N 3.33Å; A180-Q182 PolarHBondContact O-N 2.69Å; Q182-G186 WeakPolarHBondContact O-CA 3.38Å; Q182-G186 PolarHBondContact O-N 3.18Å; Q182-K230 HydrophobicContact CB-CB 3.92Å; Q182-K230 HydrophobicContact CB-CG 4.16Å; Q182-K230 VanDerWaalsContact CD-O 3.28Å; Q182-K230 HydrophobicContact CG-CB 4.14Å; Q182-K230 WeakPolarHBondContact CG-O 3.34Å; Q182-K230 PolarHBondContact NE2-O 2.89Å; Q182-F232 WeakPolarHBondContact CA-O 3.46Å; Q182-F232 WeakPolarHBondContact CG-O 3.38Å; Q182-F232 PolarHBondContact N-O 3.21Å; Q182-F232 VanDerWaalsContact N-O 3.14Å; Q182-P233 PolarHBondContact NE2-O 3.19Å
183V94.5Very high95.7Very high17 Ų1723.3 Ų23.310%0.10313%0.134CC..Hα-helixtrans-69.4-44.9178.5172.60000111.6F81 P82 V83 H84 N179 A180F81-V183 HydrophobicContact CB-CG1 3.79Å; P82-V183 WeakPolarHBondContact O-CG1 3.22Å; V83-V183 HydrophobicContact CG2-CG2 4.39Å; H84-V183 WeakPolarHBondContact CB-O 3.36Å; H84-V183 PolarHBondContact N-O 3.16Å; N179-V183 WeakPolarHBondContact O-CG2 3.12Å; N179-V183 PolarHBondContact O-N 3.23Å; A180-V183 PolarHBondContact O-N 2.94Å
184V94.3Very high95.6Very high109 Ų10924.4 Ų24.466%0.66114%0.141SC*.Hα-helixtrans-69.7-42.3-177.71700000112H84 A180H84-V184 WeakPolarHBondContact CB-O 3.24Å; A180-V184 VanDerWaalsContact O-CB 3.29Å; A180-V184 WeakPolarHBondContact O-CB 3.48Å; A180-V184 VanDerWaalsContact O-CG2 3.24Å; A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 2.83Å
185T94Very high95.5Very high39 Ų3924.7 Ų24.724%0.23914%0.144CC..Hα-helixtrans-80.7-42-179.562.90000112.4Q86 G181 N187 F232Q86-T185 PolarHBondContact NE2-O 2.89Å; G181-T185 WeakPolarHBondContact O-CB 3.38Å; G181-T185 WeakPolarHBondContact O-CG2 3.32Å; G181-T185 PolarHBondContact O-N 2.69Å; G181-T185 PolarHBondContact O-OG1 3.21Å; T185-N187 PolarHBondContact O-N 2.98Å; T185-F232 HydrophobicContact CG2-CD1 3.72Å; T185-F232 HydrophobicContact CG2-CE1 4.16Å; T185-F232 PolarHBondContact OG1-O 3.42Å
186G93.3Very high95.4Very high0 Ų023.8 Ų23.80%014%0.138CC..  trans64.823.8-175.300000114.3H84 Q182 R229H84-G186 WeakPolarHBondContact O-CA 3.29Å; Q182-G186 WeakPolarHBondContact O-CA 3.38Å; Q182-G186 PolarHBondContact O-N 3.18Å; G186-R229 CarbonylContact C-O 3.47Å; G186-R229 VanDerWaalsContact CA-O 3.26Å; G186-R229 WeakPolarHBondContact CA-O 3.09Å
187N95Very high95.3Very high28 Ų2830.9 Ų30.915%0.1516%0.164CC..PPolyproline II helixtrans-65.3136.7-174.8-170.430.5000111.8T185 R229 S231 F232 D292T185-N187 PolarHBondContact O-N 2.98Å; N187-R229 PolarHBondContact N-O 3.41Å; N187-R229 CarbonylContact O-C 3.49Å; N187-R229 VanDerWaalsContact O-O 3.07Å; N187-S231 WeakPolarHBondContact O-CB 3.41Å; N187-S231 PolarHBondContact O-N 2.92Å; N187-F232 HydrophobicContact CB-CB 3.61Å; N187-D292 PolarHBondContact ND2-OD1 2.9Å
188Q95.6Very high95.2Very high1 Ų125.3 Ų25.31%0.00514%0.141CC..PPolyproline II helixtrans-80.8137.5-173.3-65.9156.82200111.7Q86 G87 Y95 F192 A228 H289Q86-Q188 PolarHBondContact O-NE2 3.2Å; G87-Q188 PolarHBondContact O-NE2 3.46Å; Y95-Q188 HydrophobicContact CD1-CB 3.81Å; Y95-Q188 HydrophobicContact CE1-CB 3.61Å; Y95-Q188 WeakPolarHBondContact CE1-O 3.38Å; Q188-F192 HydrophobicContact CB-CB 3.92Å; Q188-F192 HydrophobicContact CB-CD1 4.18Å; Q188-F192 HydrophobicContact CB-CD2 4.37Å; Q188-F192 HydrophobicContact CB-CG 3.89Å; Q188-F192 HydrophobicContact CG-CD1 3.98Å; Q188-F192 HydrophobicContact CG-CD2 4.12Å; Q188-F192 HydrophobicContact CG-CE1 4.27Å; Q188-F192 HydrophobicContact CG-CE2 4.39Å; Q188-F192 HydrophobicContact CG-CG 3.93Å; Q188-F192 HydrophobicContact CG-CZ 4.47Å; Q188-A228 WeakPolarHBondContact CA-O 3.22Å; Q188-H289 VanDerWaalsContact C-NE2 3.29Å; Q188-H289 PolarHBondContact O-NE2 3.16Å
189T96.1Very high95Very high6 Ų629.1 Ų29.14%0.03716%0.161CC..PPolyproline II helixtrans-72155.4175.863.80000111.1Y95 H191 F192 A228 R287Y95-T189 WeakPolarHBondContact CD1-O 3.12Å; T189-H191 PolarHBondContact O-N 2.89Å; T189-H191 PolarHBondContact OG1-CD2 3.1Å; T189-H191 PolarHBondContact OG1-CE1 3.49Å; T189-H191 PolarHBondContact OG1-ND1 2.98Å; T189-H191 PolarHBondContact OG1-NE2 2.97Å; T189-H191 VanDerWaalsContact OG1-NE2 3.16Å; T189-F192 WeakPolarHBondContact O-CB 3.26Å; T189-F192 PolarHBondContact O-N 3.17Å; T189-F192 PolarHBondContact OG1-N 2.98Å; T189-A228 PolarHBondContact N-O 2.9Å; T189-A228 PolarHBondContact OG1-O 3.45Å; T189-R287 VanDerWaalsContact CG2-O 3.24Å; T189-R287 WeakPolarHBondContact CG2-O 3.42Å
190P96.8Very high94.8Very high10 Ų1031.4 Ų31.47%0.06517%0.169CC..THydrogen-bonded Turntrans-55.2-20.3176.5-23.128.2000115.2Y95 K97 H286Y95-P190 CarbonylContact C-O 2.99Å; Y95-P190 WeakPolarHBondContact CA-O 3.27Å; Y95-P190 VanDerWaalsContact O-O 3.12Å; K97-P190 HydrophobicContact CB-CB 4.33Å; K97-P190 WeakPolarHBondContact CB-O 3.39Å; K97-P190 HydrophobicContact CG-CB 3.81Å; K97-P190 VanDerWaalsContact CG-O 3.25Å; K97-P190 WeakPolarHBondContact CG-O 3.14Å; K97-P190 PolarHBondContact N-O 3.11Å; P190-H286 HydrophobicContact CB-CB 4.19Å; P190-H286 WeakPolarHBondContact CD-O 3.05Å
191H95.6Very high94.6Very high14 Ų1436.3 Ų36.37%0.06520%0.197CC..THydrogen-bonded Turntrans-99.97.5177.565-97.2000114Y95 K97 T189 L193 S194 A195 H286Y95-H191 CarbonylContact O-C 3.07Å; K97-H191 HydrophobicContact CB-CB 4.38Å; K97-H191 WeakPolarHBondContact O-CA 3.46Å; T189-H191 PolarHBondContact O-N 2.89Å; T189-H191 PolarHBondContact OG1-CD2 3.1Å; T189-H191 PolarHBondContact OG1-CE1 3.49Å; T189-H191 PolarHBondContact OG1-ND1 2.98Å; T189-H191 PolarHBondContact OG1-NE2 2.97Å; T189-H191 VanDerWaalsContact OG1-NE2 3.16Å; H191-L193 PolarHBondContact O-N 2.84Å; H191-S194 WeakPolarHBondContact O-CB 3.44Å; H191-S194 PolarHBondContact O-N 3.34Å; H191-S194 PolarHBondContact O-OG 2.93Å; H191-A195 PolarHBondContact O-N 3.39Å; H191-H286 PolarHBondContact ND1-O 3.4Å
192F96.6Very high94.3Very high0 Ų039.2 Ų39.20%022%0.219CC..Hα-helixtrans-52.7-43.7-171167.2-101000114.3F88 Y95 Q188 T189 S194 A195 C196 V225 A228 R229F88-F192 HydrophobicContact CB-CE1 4.32Å; F88-F192 AromaticContact CD1-CE1 3.74Å; F88-F192 HydrophobicContact CD1-CE1 3.74Å; F88-F192 HydrophobicContact CD1-CZ 4.21Å; F88-F192 HydrophobicContact CE1-CE1 4.21Å; F88-F192 HydrophobicContact CE1-CZ 4.45Å; F88-F192 HydrophobicContact CG-CE1 4.02Å; Y95-F192 PolarHBondContact O-N 3.01Å; Q188-F192 HydrophobicContact CB-CB 3.92Å; Q188-F192 HydrophobicContact CB-CD1 4.18Å; Q188-F192 HydrophobicContact CB-CD2 4.37Å; Q188-F192 HydrophobicContact CB-CG 3.89Å; Q188-F192 HydrophobicContact CG-CD1 3.98Å; Q188-F192 HydrophobicContact CG-CD2 4.12Å; Q188-F192 HydrophobicContact CG-CE1 4.27Å; Q188-F192 HydrophobicContact CG-CE2 4.39Å; Q188-F192 HydrophobicContact CG-CG 3.93Å; Q188-F192 HydrophobicContact CG-CZ 4.47Å; T189-F192 WeakPolarHBondContact O-CB 3.26Å; T189-F192 PolarHBondContact O-N 3.17Å; T189-F192 PolarHBondContact OG1-N 2.98Å; F192-S194 VanDerWaalsContact C-N 3.27Å; F192-S194 PolarHBondContact O-N 3.48Å; F192-A195 PolarHBondContact O-N 2.96Å; F192-A195 VanDerWaalsContact O-N 3.17Å; F192-C196 HydrophobicContact CE1-CB 4.12Å; F192-C196 HydrophobicContact CE2-CB 4.15Å; F192-C196 HydrophobicContact CZ-CB 3.87Å; F192-C196 VanDerWaalsContact O-CB 3.28Å; F192-C196 WeakPolarHBondContact O-CB 3.4Å; F192-C196 PolarHBondContact O-N 3.34Å; F192-V225 HydrophobicContact CE2-CG1 4.14Å; F192-A228 HydrophobicContact CB-CB 4.4Å; F192-A228 HydrophobicContact CD2-CB 3.95Å; F192-R229 HydrophobicContact CD2-CG 4.17Å; F192-R229 HydrophobicContact CE2-CG 3.82Å
193L95.3Very high94Very high11 Ų1139.4 Ų39.46%0.05822%0.22CC..Hα-helixtrans-66.6-29.4-179.3-63.1176.6000112.6F88 D92 Y95 H191 A195 R197 P198F88-L193 HydrophobicContact CD2-CD2 3.62Å; F88-L193 HydrophobicContact CE2-CD2 3.82Å; F88-L193 HydrophobicContact CG-CD2 4.23Å; D92-L193 HydrophobicContact CB-CD1 4.28Å; D92-L193 VanDerWaalsContact O-CD1 3.27Å; D92-L193 WeakPolarHBondContact O-CD1 3.45Å; Y95-L193 WeakPolarHBondContact O-CB 3.33Å; Y95-L193 PolarHBondContact O-N 3.34Å; H191-L193 PolarHBondContact O-N 2.84Å; L193-A195 VanDerWaalsContact C-N 3.34Å; L193-R197 PolarHBondContact O-N 3.33Å; L193-P198 HydrophobicContact CD2-CG 4.31Å
194S94.8Very high93.8Very high37 Ų3740.1 Ų40.126%0.25923%0.231SC..Hα-helixtrans-69.6-31.8175.978.30000112.7K97 Y99 H191 F192 R197K97-S194 WeakPolarHBondContact O-CB 3.37Å; K97-S194 PolarHBondContact O-OG 3.35Å; Y99-S194 WeakPolarHBondContact CB-OG 3.43Å; Y99-S194 PolarHBondContact N-OG 2.84Å; H191-S194 WeakPolarHBondContact O-CB 3.44Å; H191-S194 PolarHBondContact O-N 3.34Å; H191-S194 PolarHBondContact O-OG 2.93Å; F192-S194 VanDerWaalsContact C-N 3.27Å; F192-S194 PolarHBondContact O-N 3.48Å; S194-R197 WeakPolarHBondContact O-CG 3.45Å
195A94.8Very high93.6Very high7 Ų735.8 Ų35.86%0.05821%0.205CC..Hα-helixtrans-80.5-42.2173.200000111.9H191 F192 L193 G220 L224 A228H191-A195 PolarHBondContact O-N 3.39Å; F192-A195 PolarHBondContact O-N 2.96Å; F192-A195 VanDerWaalsContact O-N 3.17Å; L193-A195 VanDerWaalsContact C-N 3.34Å; A195-G220 WeakPolarHBondContact O-CA 3.28Å; A195-L224 HydrophobicContact CB-CB 4.32Å; A195-A228 HydrophobicContact CB-CB 4.04Å
196C94.5Very high93.3Very high0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-64.7-41-180177.80000112.9F192 C218 T219 G220F192-C196 HydrophobicContact CE1-CB 4.12Å; F192-C196 HydrophobicContact CE2-CB 4.15Å; F192-C196 HydrophobicContact CZ-CB 3.87Å; F192-C196 VanDerWaalsContact O-CB 3.28Å; F192-C196 WeakPolarHBondContact O-CB 3.4Å; F192-C196 PolarHBondContact O-N 3.34Å; C196-C218 HydrophobicContact CB-CB 3.93Å; C196-C218 WeakPolarHBondContact CB-SG 3.49Å; C196-C218 CarbonylContact O-C 3.44Å; C196-C218 VanDerWaalsContact O-CA 3.23Å; C196-C218 WeakPolarHBondContact O-CA 3.37Å; C196-C218 VanDerWaalsContact O-CB 3.25Å; C196-C218 WeakPolarHBondContact O-CB 3.45Å; C196-C218 WeakPolarHBondContact SG-CA 3.45Å; C196-C218 WeakPolarHBondContact SG-CB 3.42Å; C196-C218 CovalentContact SG-SG 2.04Å; C196-C218 PolarHBondContact SG-SG 3.27Å; C196-T219 PolarHBondContact O-N 2.91Å; C196-G220 PolarHBondContact O-N 3.42Å
197R94.8Very high93Very high173 Ų17344.7 Ų44.765%0.65325%0.25SS*.  trans46.763.7-173.5-59.2-175.1179.6-179.8-2112L193 S194 T219L193-R197 PolarHBondContact O-N 3.33Å; S194-R197 WeakPolarHBondContact O-CG 3.45Å; R197-T219 PolarHBondContact O-N 3.37Å; R197-T219 PolarHBondContact O-OG1 3Å
198P94.2Very high92.6Very high14 Ų1447.4 Ų47.49%0.09127%0.269CS..BIsolated β-bridgetrans-69.3141.9-178.330.1-36.5000112.1F88 L193 Y200 L203 A217F88-P198 HydrophobicContact CE2-CB 4.18Å; F88-P198 HydrophobicContact CE2-CG 4.26Å; F88-P198 HydrophobicContact CZ-CB 3.98Å; F88-P198 HydrophobicContact CZ-CG 4.45Å; L193-P198 HydrophobicContact CD2-CG 4.31Å; P198-Y200 HydrophobicContact CB-CD1 4.47Å; P198-Y200 HydrophobicContact CB-CE1 4.22Å; P198-Y200 HydrophobicContact CG-CD1 4.22Å; P198-Y200 HydrophobicContact CG-CE1 3.57Å; P198-Y200 HydrophobicContact CG-CE2 4.01Å; P198-Y200 VanDerWaalsContact CG-CZ 3.47Å; P198-Y200 PolarHBondContact O-N 3.29Å; P198-L203 HydrophobicContact CB-CD1 3.87Å; P198-A217 VanDerWaalsContact CA-O 3.22Å; P198-A217 WeakPolarHBondContact CA-O 3.44Å; P198-A217 WeakPolarHBondContact CB-O 3.36Å
199N93.2Very high92.2Very high79 Ų7954.4 Ų54.442%0.42231%0.306SS..  trans-8786.5172-175.7-15.5000109.4T201 A202 L203 T219N199-T201 PolarHBondContact O-N 3.37Å; N199-T201 VanDerWaalsContact O-N 3.16Å; N199-T201 PolarHBondContact OD1-N 2.97Å; N199-A202 HydrophobicContact CB-CB 4.02Å; N199-A202 PolarHBondContact O-N 2.9Å; N199-A202 VanDerWaalsContact O-N 3.09Å; N199-A202 PolarHBondContact OD1-N 3.03Å; N199-A202 VanDerWaalsContact OD1-N 3.17Å; N199-L203 WeakPolarHBondContact O-CG 3.39Å; N199-L203 PolarHBondContact O-N 2.73Å; N199-T219 HydrophobicContact CB-CG2 4.36Å
200Y91.1Very high91.9Very high54 Ų5457.1 Ų57.121%0.21232%0.318CS..THydrogen-bonded Turntrans-55.9-31.2-176.4-63.3-63000114.2F91 P198 G204 C205F91-Y200 HydrophobicContact CD1-CD1 4.36Å; F91-Y200 AromaticContact CD1-CD2 3.98Å; F91-Y200 HydrophobicContact CD1-CD2 3.98Å; F91-Y200 HydrophobicContact CD1-CE1 4.14Å; F91-Y200 AromaticContact CD1-CE2 3.74Å; F91-Y200 HydrophobicContact CD1-CE2 3.74Å; F91-Y200 HydrophobicContact CD1-CG 4.26Å; F91-Y200 AromaticContact CD1-CZ 3.8Å; F91-Y200 HydrophobicContact CE1-CD1 4.03Å; F91-Y200 AromaticContact CE1-CD2 3.33Å; F91-Y200 HydrophobicContact CE1-CD2 3.33Å; F91-Y200 HydrophobicContact CE1-CE1 4.25Å; F91-Y200 AromaticContact CE1-CE2 3.59Å; F91-Y200 HydrophobicContact CE1-CE2 3.59Å; F91-Y200 AromaticContact CE1-CG 3.56Å; F91-Y200 HydrophobicContact CE1-CG 3.56Å; F91-Y200 HydrophobicContact CE2-CD1 4.48Å; F91-Y200 HydrophobicContact CE2-CG 4.46Å; F91-Y200 HydrophobicContact CG-CE1 4.47Å; F91-Y200 HydrophobicContact CZ-CD1 4.09Å; F91-Y200 AromaticContact CZ-CD2 3.93Å; F91-Y200 HydrophobicContact CZ-CD2 3.93Å; F91-Y200 AromaticContact CZ-CG 3.67Å; F91-Y200 HydrophobicContact CZ-CG 3.67Å; P198-Y200 HydrophobicContact CB-CD1 4.47Å; P198-Y200 HydrophobicContact CB-CE1 4.22Å; P198-Y200 HydrophobicContact CG-CD1 4.22Å; P198-Y200 HydrophobicContact CG-CE1 3.57Å; P198-Y200 HydrophobicContact CG-CE2 4.01Å; P198-Y200 VanDerWaalsContact CG-CZ 3.47Å; P198-Y200 PolarHBondContact O-N 3.29Å; Y200-G204 PolarHBondContact O-N 3.01Å; Y200-C205 HydrophobicContact CD1-CB 4.25Å; Y200-C205 PolarHBondContact O-N 2.93Å
201T90.3Very high91.7Very high131 Ų13161.9 Ų61.980%0.80434%0.335SS*.THydrogen-bonded Turntrans-70.6-44.6176.5-49.10000111.5N199 L203 G204N199-T201 PolarHBondContact O-N 3.37Å; N199-T201 VanDerWaalsContact O-N 3.16Å; N199-T201 PolarHBondContact OD1-N 2.97Å; T201-L203 VanDerWaalsContact C-N 3.3Å; T201-L203 PolarHBondContact O-N 2.68Å; T201-G204 PolarHBondContact O-N 2.92Å
202A90.4Very high91.5Very high78 Ų7861.6 Ų61.665%0.64533%0.334SS*.THydrogen-bonded Turntrans-67.9-31.6176.700000112.5N199 G204N199-A202 HydrophobicContact CB-CB 4.02Å; N199-A202 PolarHBondContact O-N 2.9Å; N199-A202 VanDerWaalsContact O-N 3.09Å; N199-A202 PolarHBondContact OD1-N 3.03Å; N199-A202 VanDerWaalsContact OD1-N 3.17Å; A202-G204 PolarHBondContact O-N 2.95Å
203L89.4Confident91.1Very high19 Ų1966.4 Ų66.410%0.09936%0.364CS..THydrogen-bonded Turntrans-80.30.4174.6-66.6165.9000113.4P198 N199 T201 C205 Q210 I212 E214 A217P198-L203 HydrophobicContact CB-CD1 3.87Å; N199-L203 WeakPolarHBondContact O-CG 3.39Å; N199-L203 PolarHBondContact O-N 2.73Å; T201-L203 VanDerWaalsContact C-N 3.3Å; T201-L203 PolarHBondContact O-N 2.68Å; L203-C205 VanDerWaalsContact C-N 3.26Å; L203-C205 PolarHBondContact O-N 3.28Å; L203-Q210 PolarHBondContact O-NE2 3.48Å; L203-I212 HydrophobicContact CB-CD1 4.26Å; L203-I212 HydrophobicContact CD1-CD1 3.91Å; L203-I212 HydrophobicContact CD2-CG2 3.98Å; L203-E214 WeakPolarHBondContact CD2-OE2 3.21Å; L203-A217 HydrophobicContact CD1-CB 3.89Å; L203-A217 HydrophobicContact CD2-CB 3.85Å
204G89.1Confident90.4Very high33 Ų3371.3 Ų71.334%0.3439%0.387SS..THydrogen-bonded Turntrans59.432.2178.500000114.2Y200 T201 A202 Q206 Q210Y200-G204 PolarHBondContact O-N 3.01Å; T201-G204 PolarHBondContact O-N 2.92Å; A202-G204 PolarHBondContact O-N 2.95Å; G204-Q206 PolarHBondContact O-N 3.4Å; G204-Q210 PolarHBondContact O-NE2 3.1Å; G204-Q210 PolarHBondContact O-OE1 3.16Å; G204-Q210 VanDerWaalsContact O-OE1 3.12Å
205C90.4Very high89.3Confident17 Ų1775.6 Ų75.612%0.11541%0.407CS..  trans-67.795.5-179.9-78.80000111.6C90 F91 Y200 L203 I212C90-C205 HydrophobicContact CB-CB 3.7Å; C90-C205 WeakPolarHBondContact CB-SG 3.26Å; C90-C205 WeakPolarHBondContact SG-CB 3.36Å; C90-C205 CovalentContact SG-SG 2.04Å; C90-C205 PolarHBondContact SG-SG 2.96Å; F91-C205 HydrophobicContact CE2-CB 3.94Å; F91-C205 HydrophobicContact CZ-CB 4.44Å; Y200-C205 HydrophobicContact CD1-CB 4.25Å; Y200-C205 PolarHBondContact O-N 2.93Å; L203-C205 VanDerWaalsContact C-N 3.26Å; L203-C205 PolarHBondContact O-N 3.28Å; C205-I212 VanDerWaalsContact SG-CD1 3.58Å
206Q88.4Confident88.5Confident178 Ų17886.3 Ų86.383%0.83245%0.446SS*.  trans-90.7-22.4176.6-63-62.4-28.600112.8G204G204-Q206 PolarHBondContact O-N 3.4Å
207S87.7Confident88.2Confident49 Ų4986.5 Ų86.534%0.34345%0.447SS..SBendtrans-144.4154.5-179.178.30000111.9C90 L209 Q210C90-S207 WeakPolarHBondContact CB-O 3.3Å; S207-L209 PolarHBondContact O-N 3.23Å; S207-Q210 WeakPolarHBondContact O-CB 3.36Å; S207-Q210 PolarHBondContact O-N 3.05Å
208P85.6Confident88.1Confident85 Ų8579.9 Ų79.955%0.55243%0.427SS*.THydrogen-bonded Turntrans-72.3-6.4176.730.8-36.4000114C90C90-P208 VanDerWaalsContact O-CA 3.29Å; C90-P208 WeakPolarHBondContact O-CA 3.45Å
209L86.8Confident88.1Confident148 Ų14883.9 Ų83.978%0.77545%0.451SS*.THydrogen-bonded Turntrans-90.5-5.3176.9-61178.2000112.8S207S207-L209 PolarHBondContact O-N 3.23Å
210Q91Very high88.1Confident62 Ų6281 Ų8129%0.2944%0.439SS..  trans-77.1126.2179.5-178.9174.5-1200110.4F89 C90 L203 G204 S207F89-Q210 WeakPolarHBondContact CA-O 3.27Å; C90-Q210 PolarHBondContact N-O 2.87Å; C90-Q210 PolarHBondContact SG-O 3.43Å; L203-Q210 PolarHBondContact O-NE2 3.48Å; G204-Q210 PolarHBondContact O-NE2 3.1Å; G204-Q210 PolarHBondContact O-OE1 3.16Å; G204-Q210 VanDerWaalsContact O-OE1 3.12Å; S207-Q210 WeakPolarHBondContact O-CB 3.36Å; S207-Q210 PolarHBondContact O-N 3.05Å
211Y92.2Very high88.2Confident110 Ų11082.4 Ų82.443%0.43145%0.451SS..EExtended strand (participates in β ladder)trans-99.9129.8-178.9-171-110.2000110.8G87 F89 T213G87-Y211 VanDerWaalsContact C-OH 3.23Å; G87-Y211 VanDerWaalsContact CA-CZ 3.49Å; G87-Y211 WeakPolarHBondContact CA-OH 3.41Å; G87-Y211 PolarHBondContact N-OH 3.43Å; G87-Y211 VanDerWaalsContact N-OH 3.1Å; G87-Y211 WeakPolarHBondContact O-CE2 3.48Å; G87-Y211 PolarHBondContact O-OH 3.39Å; G87-Y211 VanDerWaalsContact O-OH 3.1Å; F89-Y211 AromaticContact CD1-CD2 3.95Å; F89-Y211 HydrophobicContact CD1-CD2 3.95Å; F89-Y211 HydrophobicContact CD1-CG 4.48Å; F89-Y211 AromaticContact CD2-CD2 3.91Å; F89-Y211 HydrophobicContact CD2-CD2 3.91Å; F89-Y211 HydrophobicContact CD2-CE2 4.35Å; F89-Y211 AromaticContact CE1-CD2 3.81Å; F89-Y211 HydrophobicContact CE1-CD2 3.81Å; F89-Y211 HydrophobicContact CE1-CG 4.2Å; F89-Y211 AromaticContact CE2-CD2 3.75Å; F89-Y211 HydrophobicContact CE2-CD2 3.75Å; F89-Y211 HydrophobicContact CE2-CE2 4.1Å; F89-Y211 HydrophobicContact CG-CD2 4Å; F89-Y211 AromaticContact CZ-CD2 3.69Å; F89-Y211 HydrophobicContact CZ-CD2 3.69Å; F89-Y211 HydrophobicContact CZ-CE2 4.37Å; F89-Y211 HydrophobicContact CZ-CG 4.35Å; Y211-T213 HydrophobicContact CD1-CG2 3.75Å; Y211-T213 HydrophobicContact CE1-CG2 3.49Å; Y211-T213 VanDerWaalsContact CE1-CG2 3.49Å
212I91.3Very high88.3Confident9 Ų980.4 Ų80.45%0.04644%0.44CS..EExtended strand (participates in β ladder)trans-107.8122.8-177.3-61.5155.6000109.5G87 F88 L203 C205 E214 A217G87-I212 CarbonylContact C-O 3.12Å; G87-I212 WeakPolarHBondContact CA-O 3.26Å; F88-I212 HydrophobicContact CD2-CD1 4.24Å; F88-I212 HydrophobicContact CE1-CB 4.49Å; F88-I212 HydrophobicContact CE1-CG2 4.35Å; F88-I212 HydrophobicContact CE2-CD1 3.59Å; F88-I212 HydrophobicContact CZ-CB 4.36Å; F88-I212 HydrophobicContact CZ-CD1 3.93Å; F88-I212 HydrophobicContact CZ-CG2 4.3Å; F88-I212 PolarHBondContact N-O 3Å; F88-I212 PolarHBondContact O-N 2.96Å; L203-I212 HydrophobicContact CB-CD1 4.26Å; L203-I212 HydrophobicContact CD1-CD1 3.91Å; L203-I212 HydrophobicContact CD2-CG2 3.98Å; C205-I212 VanDerWaalsContact SG-CD1 3.58Å; I212-E214 HydrophobicContact CG2-CB 4.2Å; I212-A217 HydrophobicContact CG2-CB 3.72Å
213T87.7Confident88.3Confident101 Ų10184.3 Ų84.362%0.6244%0.443SS*.  trans-108.83.3175.7500000113.6Y211 N215Y211-T213 HydrophobicContact CD1-CG2 3.75Å; Y211-T213 HydrophobicContact CE1-CG2 3.49Å; Y211-T213 VanDerWaalsContact CE1-CG2 3.49Å; T213-N215 PolarHBondContact O-N 3.35Å
214E81Confident88.5Confident114 Ų11486.4 Ų86.453%0.53345%0.454SS..  trans-71.9124.8-173.3-66.7-179.5-16300113.4L203 I212 R216 A217L203-E214 WeakPolarHBondContact CD2-OE2 3.21Å; I212-E214 HydrophobicContact CG2-CB 4.2Å; E214-R216 PolarHBondContact O-N 3.38Å; E214-A217 HydrophobicContact CB-CB 4.37Å; E214-A217 VanDerWaalsContact O-CB 3.26Å; E214-A217 WeakPolarHBondContact O-CB 3.28Å; E214-A217 PolarHBondContact O-N 3.08Å; E214-A217 VanDerWaalsContact O-N 3.07Å
215N70.6Confident88.7Confident127 Ų12785.5 Ų85.568%0.67944%0.441SS*.THydrogen-bonded Turntrans-59.9-19.6177.6-76.3-3.9000114.3I85 T213I85-N215 WeakPolarHBondContact CD1-OD1 3.34Å; T213-N215 PolarHBondContact O-N 3.35Å
216R79.7Confident88.8Confident232 Ų23287.6 Ų87.688%0.87545%0.454SS*.THydrogen-bonded Turntrans-104.317.4178.7-69.6-172.2176176.2-0.2113.8E214 C218E214-R216 PolarHBondContact O-N 3.38Å; R216-C218 PolarHBondContact O-N 3.49Å
217A88.2Confident89Confident4 Ų482.1 Ų82.13%0.03344%0.435CS..  trans-67.4-18.7-179.600000114.9F88 P198 L203 I212 E214F88-A217 HydrophobicContact CE1-CB 3.85Å; F88-A217 HydrophobicContact CZ-CB 3.85Å; P198-A217 VanDerWaalsContact CA-O 3.22Å; P198-A217 WeakPolarHBondContact CA-O 3.44Å; P198-A217 WeakPolarHBondContact CB-O 3.36Å; L203-A217 HydrophobicContact CD1-CB 3.89Å; L203-A217 HydrophobicContact CD2-CB 3.85Å; I212-A217 HydrophobicContact CG2-CB 3.72Å; E214-A217 HydrophobicContact CB-CB 4.37Å; E214-A217 VanDerWaalsContact O-CB 3.26Å; E214-A217 WeakPolarHBondContact O-CB 3.28Å; E214-A217 PolarHBondContact O-N 3.08Å; E214-A217 VanDerWaalsContact O-N 3.07Å
218C92.4Very high89.3Confident33 Ų3379.9 Ų79.922%0.22342%0.419CS..BIsolated β-bridgetrans-98.8137.3-179.1-59.50000112.3C196 R216 V225C196-C218 HydrophobicContact CB-CB 3.93Å; C196-C218 WeakPolarHBondContact CB-SG 3.49Å; C196-C218 CarbonylContact O-C 3.44Å; C196-C218 VanDerWaalsContact O-CA 3.23Å; C196-C218 WeakPolarHBondContact O-CA 3.37Å; C196-C218 VanDerWaalsContact O-CB 3.25Å; C196-C218 WeakPolarHBondContact O-CB 3.45Å; C196-C218 WeakPolarHBondContact SG-CA 3.45Å; C196-C218 WeakPolarHBondContact SG-CB 3.42Å; C196-C218 CovalentContact SG-SG 2.04Å; C196-C218 PolarHBondContact SG-SG 3.27Å; R216-C218 PolarHBondContact O-N 3.49Å; C218-V225 HydrophobicContact CB-CG1 4.13Å; C218-V225 HydrophobicContact CB-CG2 4.09Å
219T93.6Very high89.7Confident99 Ų9976.7 Ų76.761%0.60740%0.397SS*.  trans-109.6-5.3174.171.70000113.7C196 R197 N199C196-T219 PolarHBondContact O-N 2.91Å; R197-T219 PolarHBondContact O-N 3.37Å; R197-T219 PolarHBondContact O-OG1 3Å; N199-T219 HydrophobicContact CB-CG2 4.36Å
220G93Very high90.1Very high17 Ų1772.5 Ų72.518%0.17537%0.372CS..SBendtrans-73.3-178.7177.100000114.5A195 C196A195-G220 WeakPolarHBondContact O-CA 3.28Å; C196-G220 PolarHBondContact O-N 3.42Å
221N93.6Very high90.3Very high85 Ų8569.5 Ų69.546%0.45536%0.358SS..  trans-62.5122.2-179.4177.8-26.3000110.5F223 L224 V225N221-F223 VanDerWaalsContact C-N 3.28Å; N221-F223 PolarHBondContact O-N 2.88Å; N221-F223 WeakPolarHBondContact OD1-CD2 3.13Å; N221-F223 PolarHBondContact OD1-N 3.35Å; N221-L224 HydrophobicContact CB-CB 4.35Å; N221-L224 HydrophobicContact CB-CD1 4.14Å; N221-L224 HydrophobicContact CB-CG 4.12Å; N221-L224 PolarHBondContact O-N 2.99Å; N221-V225 WeakPolarHBondContact O-CG2 3.5Å; N221-V225 PolarHBondContact O-N 3.35Å
222P91.9Very high90.5Very high88 Ų8867.7 Ų67.757%0.57135%0.352SS*.Hα-helixtrans-58-36.2-173.722.8-34.2000113.4L224 V225 V226P222-L224 PolarHBondContact O-N 2.75Å; P222-V225 PolarHBondContact O-N 2.91Å; P222-V226 WeakPolarHBondContact O-CG2 3.38Å; P222-V226 PolarHBondContact O-N 2.96Å
223F90.8Very high90.8Very high161 Ų16167.6 Ų67.671%0.70635%0.353SS*.Hα-helixtrans-64.5-40177.5-64.4-76000112.2N221 S227N221-F223 VanDerWaalsContact C-N 3.28Å; N221-F223 PolarHBondContact O-N 2.88Å; N221-F223 WeakPolarHBondContact OD1-CD2 3.13Å; N221-F223 PolarHBondContact OD1-N 3.35Å; F223-S227 WeakPolarHBondContact O-CB 3.36Å; F223-S227 PolarHBondContact O-N 2.97Å
224L93.1Very high91.3Very high62 Ų6262.8 Ų62.833%0.32532%0.323SS..Hα-helixtrans-69.5-36.4175.8-62.6-176.5000111.5Y99 A195 N221 P222 S227 A228Y99-L224 HydrophobicContact CE2-CD2 4.47Å; Y99-L224 WeakPolarHBondContact OH-CD2 3.38Å; A195-L224 HydrophobicContact CB-CB 4.32Å; N221-L224 HydrophobicContact CB-CB 4.35Å; N221-L224 HydrophobicContact CB-CD1 4.14Å; N221-L224 HydrophobicContact CB-CG 4.12Å; N221-L224 PolarHBondContact O-N 2.99Å; P222-L224 PolarHBondContact O-N 2.75Å; L224-S227 PolarHBondContact O-N 2.74Å; L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 3.49Å
225V93.9Very high92Very high14 Ų1458.4 Ų58.49%0.08530%0.302CS..Hα-helixtrans-67.1-42.3176.6178.90000111.6F192 C218 N221 P222 A228 R229F192-V225 HydrophobicContact CE2-CG1 4.14Å; C218-V225 HydrophobicContact CB-CG1 4.13Å; C218-V225 HydrophobicContact CB-CG2 4.09Å; N221-V225 WeakPolarHBondContact O-CG2 3.5Å; N221-V225 PolarHBondContact O-N 3.35Å; P222-V225 PolarHBondContact O-N 2.91Å; V225-A228 PolarHBondContact O-N 3.43Å; V225-R229 WeakPolarHBondContact O-CG 3.36Å; V225-R229 PolarHBondContact O-N 3.14Å
226V92.3Very high93.3Very high61 Ų6153 Ų5337%0.3727%0.273SS..Hα-helixtrans-66.1-42.5175.7171.80000110.8V83 P222 R229V83-V226 HydrophobicContact CG2-CG1 4.08Å; P222-V226 WeakPolarHBondContact O-CG2 3.38Å; P222-V226 PolarHBondContact O-N 2.96Å; V226-R229 PolarHBondContact O-N 3.26Å; V226-R229 VanDerWaalsContact O-N 3.17Å
227S92.3Very high94.1Very high64 Ų6442 Ų4245%0.44823%0.232SC..Hα-helixtrans-61.1-44174.7-170.60000112F223 L224 R229 K230F223-S227 WeakPolarHBondContact O-CB 3.36Å; F223-S227 PolarHBondContact O-N 2.97Å; L224-S227 PolarHBondContact O-N 2.74Å; S227-R229 PolarHBondContact O-N 3.01Å; S227-K230 PolarHBondContact O-N 2.76Å
228A94.6Very high94.6Very high1 Ų141.8 Ų41.81%0.00823%0.23CC..THydrogen-bonded Turntrans-68.80.617700000114.8Q188 T189 F192 A195 L224 V225Q188-A228 WeakPolarHBondContact CA-O 3.22Å; T189-A228 PolarHBondContact N-O 2.9Å; T189-A228 PolarHBondContact OG1-O 3.45Å; F192-A228 HydrophobicContact CB-CB 4.4Å; F192-A228 HydrophobicContact CD2-CB 3.95Å; A195-A228 HydrophobicContact CB-CB 4.04Å; L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 3.49Å; V225-A228 PolarHBondContact O-N 3.43Å
229R94.6Very high94.9Very high19 Ų1940.4 Ų40.47%0.07222%0.22CC..THydrogen-bonded Turntrans-105.37.9170.4-68.8173175.4-78.76.2113.3V83 Q86 G186 N187 F192 V225 V226 S227V83-R229 HydrophobicContact CG1-CB 3.91Å; Q86-R229 PolarHBondContact O-NH1 2.93Å; G186-R229 CarbonylContact C-O 3.47Å; G186-R229 VanDerWaalsContact CA-O 3.26Å; G186-R229 WeakPolarHBondContact CA-O 3.09Å; N187-R229 PolarHBondContact N-O 3.41Å; N187-R229 CarbonylContact O-C 3.49Å; N187-R229 VanDerWaalsContact O-O 3.07Å; F192-R229 HydrophobicContact CD2-CG 4.17Å; F192-R229 HydrophobicContact CE2-CG 3.82Å; V225-R229 WeakPolarHBondContact O-CG 3.36Å; V225-R229 PolarHBondContact O-N 3.14Å; V226-R229 PolarHBondContact O-N 3.26Å; V226-R229 VanDerWaalsContact O-N 3.17Å; S227-R229 PolarHBondContact O-N 3.01Å
230K94.3Very high95.1Very high59 Ų5936 Ų3626%0.25719%0.194SC..  trans-107.741.5179.7-66.1-174.2179.2-1760112.3V83 Q182 S227V83-K230 HydrophobicContact CG2-CD 4.36Å; V83-K230 HydrophobicContact CG2-CG 4.09Å; Q182-K230 HydrophobicContact CB-CB 3.92Å; Q182-K230 HydrophobicContact CB-CG 4.16Å; Q182-K230 VanDerWaalsContact CD-O 3.28Å; Q182-K230 HydrophobicContact CG-CB 4.14Å; Q182-K230 WeakPolarHBondContact CG-O 3.34Å; Q182-K230 PolarHBondContact NE2-O 2.89Å; S227-K230 PolarHBondContact O-N 2.76Å
231S95.4Very high95.4Very high0 Ų037.3 Ų37.30%020%0.195CC..  trans-77-37.6-174.6-1580000114.2N187 P233 N288 D292N187-S231 WeakPolarHBondContact O-CB 3.41Å; N187-S231 PolarHBondContact O-N 2.92Å; S231-P233 CarbonylContact O-C 3.21Å; S231-N288 PolarHBondContact O-ND2 3.38Å; S231-D292 WeakPolarHBondContact CB-OD2 3.14Å; S231-D292 VanDerWaalsContact O-CB 3.3Å; S231-D292 WeakPolarHBondContact O-CB 3.42Å; S231-D292 PolarHBondContact OG-OD2 3.21Å
232F96.5Very high95.6Very high71 Ų7133.2 Ų33.231%0.31117%0.173SC..SBendtrans-113.6134.3-171.4-180-84.3000113G181 Q182 T185 N187 D292 A295G181-F232 CarbonylContact C-O 3.45Å; Q182-F232 WeakPolarHBondContact CA-O 3.46Å; Q182-F232 WeakPolarHBondContact CG-O 3.38Å; Q182-F232 PolarHBondContact N-O 3.21Å; Q182-F232 VanDerWaalsContact N-O 3.14Å; T185-F232 HydrophobicContact CG2-CD1 3.72Å; T185-F232 HydrophobicContact CG2-CE1 4.16Å; T185-F232 PolarHBondContact OG1-O 3.42Å; N187-F232 HydrophobicContact CB-CB 3.61Å; F232-D292 HydrophobicContact CD2-CB 4.3Å; F232-D292 WeakPolarHBondContact CD2-OD1 3.33Å; F232-A295 HydrophobicContact CD2-CB 4.31Å; F232-A295 HydrophobicContact CE2-CB 3.44Å; F232-A295 VanDerWaalsContact CE2-CB 3.44Å; F232-A295 HydrophobicContact CZ-CB 3.79Å
233P97.4Very high95.9Very high8 Ų829.4 Ų29.45%0.05215%0.148CC..SBendcis-73.5167.1-17.633.7-35.9000110.8A178 Q182 S231 K235 A295A178-P233 HydrophobicContact CB-CG 4.44Å; Q182-P233 PolarHBondContact NE2-O 3.19Å; S231-P233 CarbonylContact O-C 3.21Å; P233-K235 PolarHBondContact O-N 2.98Å; P233-A295 HydrophobicContact CB-CB 4.2Å
234S97.5Very high96.2Very high0 Ų022 Ų220%012%0.117CC..  trans-73.1112.3174.3-176.80000110.5A237 A238 N288 D292S234-A237 PolarHBondContact O-N 3.21Å; S234-A238 PolarHBondContact O-N 2.93Å; S234-A238 VanDerWaalsContact O-N 3.1Å; S234-N288 PolarHBondContact OG-OD1 3.3Å; S234-D292 PolarHBondContact N-O 3.11Å
235K96.7Very high96.4Very high22 Ų2220.6 Ų20.610%0.09611%0.109CC..Hα-helixtrans-60.7-49.2-178.8176.5166.561.9-168.40112.6E76 Y114 A178 N179 P233 A237 A238 L239E76-K235 IonicContact OE1-NZ 3.73Å; E76-K235 PolarHBondContact OE1-NZ 3.3Å; E76-K235 IonicContact OE2-NZ 3.93Å; E76-K235 PolarHBondContact OE2-NZ 3.42Å; Y114-K235 WeakPolarHBondContact OH-CE 3.44Å; A178-K235 HydrophobicContact CB-CB 3.89Å; A178-K235 HydrophobicContact CB-CG 4.02Å; N179-K235 WeakPolarHBondContact OD1-CD 3.46Å; N179-K235 PolarHBondContact OD1-NZ 3.4Å; P233-K235 PolarHBondContact O-N 2.98Å; K235-A237 VanDerWaalsContact C-N 3.3Å; K235-A237 PolarHBondContact O-N 3.39Å; K235-A238 WeakPolarHBondContact O-CB 3.39Å; K235-A238 PolarHBondContact O-N 3.46Å; K235-A238 VanDerWaalsContact O-N 3.11Å; K235-L239 HydrophobicContact CD-CD1 4.31Å; K235-L239 HydrophobicContact CG-CD1 3.69Å; K235-L239 HydrophobicContact CG-CG 4.19Å; K235-L239 WeakPolarHBondContact O-CG 3.48Å; K235-L239 PolarHBondContact O-N 3.07Å
236D96.9Very high96.5Very high13 Ų1320 Ų207%0.0711%0.106CC..Hα-helixtrans-64.4-36-178.3-62.8-62.6000112.6V113 S240 V278 R282V113-D236 HydrophobicContact CG1-CB 4.21Å; D236-S240 WeakPolarHBondContact O-CB 3.42Å; D236-S240 PolarHBondContact O-N 3.29Å; D236-S240 PolarHBondContact O-OG 2.58Å; D236-V278 HydrophobicContact CB-CG1 3.84Å; D236-R282 IonicContact OD1-NH2 3.83Å; D236-R282 IonicContact OD2-CZ 3.09Å; D236-R282 IonicContact OD2-NE 3.85Å; D236-R282 PolarHBondContact OD2-NE 2.86Å; D236-R282 IonicContact OD2-NH2 3.39Å; D236-R282 PolarHBondContact OD2-NH2 2.04Å
237A98.1Very high96.6Very high0 Ų017.2 Ų17.20%09%0.089CC..Hα-helixtrans-61.4-46.8172.100000110.9S234 K235 F241 V293 F297S234-A237 PolarHBondContact O-N 3.21Å; K235-A237 VanDerWaalsContact C-N 3.3Å; K235-A237 PolarHBondContact O-N 3.39Å; A237-F241 VanDerWaalsContact O-CB 3.28Å; A237-F241 WeakPolarHBondContact O-CB 3.44Å; A237-F241 PolarHBondContact O-N 2.81Å; A237-V293 HydrophobicContact CB-CB 4.39Å; A237-V293 HydrophobicContact CB-CG1 3.95Å; A237-V293 HydrophobicContact CB-CG2 4.49Å; A237-F297 HydrophobicContact CB-CD1 3.75Å; A237-F297 HydrophobicContact CB-CE1 3.63Å; A237-F297 HydrophobicContact CB-CZ 4.46Å; A237-F297 WeakPolarHBondContact O-CD1 3.45Å
238A98.4Very high96.7Very high0 Ų015.2 Ų15.20%07%0.074CC..Hα-helixtrans-62-49.1177.900000112.8T174 S234 K235 F241 Y242 G296 G300T174-A238 HydrophobicContact CG2-CB 3.72Å; S234-A238 PolarHBondContact O-N 2.93Å; S234-A238 VanDerWaalsContact O-N 3.1Å; K235-A238 WeakPolarHBondContact O-CB 3.39Å; K235-A238 PolarHBondContact O-N 3.46Å; K235-A238 VanDerWaalsContact O-N 3.11Å; A238-F241 PolarHBondContact O-N 3.37Å; A238-Y242 VanDerWaalsContact O-CB 3.24Å; A238-Y242 WeakPolarHBondContact O-CB 3.41Å; A238-Y242 PolarHBondContact O-N 2.67Å; A238-G296 VanDerWaalsContact CA-O 3.22Å; A238-G296 WeakPolarHBondContact CA-O 3.33Å; A238-G296 WeakPolarHBondContact CB-O 3.41Å; A238-G300 WeakPolarHBondContact O-CA 3.29Å
239L98.3Very high96.5Very high4 Ų417.6 Ų17.62%0.0219%0.085CC..Hα-helixtrans-65-42.6-179.3-64.3173.2000112.1Y114 L171 T174 T175 K235 S243Y114-L239 HydrophobicContact CD1-CD1 4.24Å; Y114-L239 HydrophobicContact CE1-CD1 3.79Å; L171-L239 HydrophobicContact CD1-CD2 3.7Å; T174-L239 HydrophobicContact CG2-CD2 3.82Å; T174-L239 HydrophobicContact CG2-CG 4.46Å; T175-L239 WeakPolarHBondContact OG1-CD2 3.3Å; K235-L239 HydrophobicContact CD-CD1 4.31Å; K235-L239 HydrophobicContact CG-CD1 3.69Å; K235-L239 HydrophobicContact CG-CG 4.19Å; K235-L239 WeakPolarHBondContact O-CG 3.48Å; K235-L239 PolarHBondContact O-N 3.07Å; L239-S243 VanDerWaalsContact O-CB 3.29Å; L239-S243 WeakPolarHBondContact O-CB 3.45Å; L239-S243 PolarHBondContact O-N 2.82Å
240S98.3Very high96.2Very high8 Ų817 Ų176%0.0568%0.083CC..Hα-helixtrans-64.6-43.8178.6-55.50000111.7D236 S243 A244 A275D236-S240 WeakPolarHBondContact O-CB 3.42Å; D236-S240 PolarHBondContact O-N 3.29Å; D236-S240 PolarHBondContact O-OG 2.58Å; S240-S243 PolarHBondContact O-N 3.46Å; S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 3.09Å; S240-A275 WeakPolarHBondContact O-CB 3.32Å
241F98.2Very high95.9Very high43 Ų4314.2 Ų14.219%0.1897%0.071CC..Hα-helixtrans-73.6-37.8-178.8-155.1-96.4000112.4A237 A238 S243 A244 I245 L272 A275 F297A237-F241 VanDerWaalsContact O-CB 3.28Å; A237-F241 WeakPolarHBondContact O-CB 3.44Å; A237-F241 PolarHBondContact O-N 2.81Å; A238-F241 PolarHBondContact O-N 3.37Å; F241-S243 VanDerWaalsContact C-N 3.35Å; F241-S243 PolarHBondContact O-N 3.15Å; F241-A244 PolarHBondContact O-N 3.46Å; F241-I245 HydrophobicContact CD1-CD1 4.43Å; F241-I245 HydrophobicContact CD1-CG1 3.73Å; F241-I245 HydrophobicContact CE1-CD1 3.82Å; F241-I245 HydrophobicContact CE1-CG1 3.62Å; F241-I245 HydrophobicContact CG-CG1 4.47Å; F241-I245 HydrophobicContact CZ-CD1 4.11Å; F241-I245 HydrophobicContact CZ-CG1 4.28Å; F241-I245 WeakPolarHBondContact O-CB 3.27Å; F241-I245 WeakPolarHBondContact O-CG1 3.31Å; F241-I245 PolarHBondContact O-N 3.43Å; F241-L272 HydrophobicContact CE2-CD2 4.36Å; F241-A275 HydrophobicContact CD2-CB 4.37Å; F241-F297 HydrophobicContact CB-CB 4.4Å; F241-F297 HydrophobicContact CB-CD1 3.72Å; F241-F297 HydrophobicContact CB-CE1 4.47Å; F241-F297 HydrophobicContact CB-CG 4.42Å; F241-F297 HydrophobicContact CD1-CB 4.24Å; F241-F297 WeakPolarHBondContact CD1-O 3.33Å; F241-F297 HydrophobicContact CD2-CB 4.13Å; F241-F297 AromaticContact CD2-CD1 3.78Å; F241-F297 HydrophobicContact CD2-CD1 3.78Å; F241-F297 HydrophobicContact CD2-CE1 4.31Å; F241-F297 AromaticContact CD2-CG 3.97Å; F241-F297 HydrophobicContact CD2-CG 3.97Å; F241-F297 HydrophobicContact CE2-CB 4.46Å; F241-F297 HydrophobicContact CE2-CG 4.46Å; F241-F297 HydrophobicContact CG-CB 4.01Å; F241-F297 AromaticContact CG-CD1 3.93Å; F241-F297 HydrophobicContact CG-CD1 3.93Å; F241-F297 HydrophobicContact CG-CG 4.2Å
242Y98.4Very high95.5Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-54.6-50.8168.2170.2-100.5000111.3Y167 G170 L171 A238 I245 Y246 I303 A304 L307Y167-Y242 WeakPolarHBondContact CA-OH 3.24Å; Y167-Y242 AromaticContact CD2-CE1 3.77Å; Y167-Y242 HydrophobicContact CD2-CE1 3.77Å; Y167-Y242 AromaticContact CE2-CD1 3.99Å; Y167-Y242 HydrophobicContact CE2-CD1 3.99Å; Y167-Y242 AromaticContact CE2-CE1 3.31Å; Y167-Y242 HydrophobicContact CE2-CE1 3.31Å; Y167-Y242 AromaticContact CZ-CE1 3.93Å; Y167-Y242 PolarHBondContact O-OH 3.02Å; G170-Y242 VanDerWaalsContact C-CZ 3.45Å; G170-Y242 WeakPolarHBondContact CA-OH 3.21Å; L171-Y242 HydrophobicContact CB-CD1 4.48Å; L171-Y242 HydrophobicContact CB-CE1 4Å; L171-Y242 HydrophobicContact CD1-CD1 4.14Å; L171-Y242 HydrophobicContact CD1-CE1 4.42Å; A238-Y242 VanDerWaalsContact O-CB 3.24Å; A238-Y242 WeakPolarHBondContact O-CB 3.41Å; A238-Y242 PolarHBondContact O-N 2.67Å; Y242-I245 PolarHBondContact O-N 2.87Å; Y242-Y246 WeakPolarHBondContact O-CB 3.2Å; Y242-Y246 PolarHBondContact O-N 2.7Å; Y242-I303 HydrophobicContact CD2-CB 4.31Å; Y242-I303 HydrophobicContact CD2-CG2 4Å; Y242-I303 HydrophobicContact CE2-CG2 3.96Å; Y242-A304 HydrophobicContact CD2-CB 3.66Å; Y242-A304 HydrophobicContact CE2-CB 3.95Å; Y242-L307 HydrophobicContact CE2-CD1 4.18Å
243S98.1Very high94.7Very high7 Ų717.3 Ų17.35%0.0499%0.093CC..Hα-helixtrans-60.3-47.4-179.9-171.40000112.5V117 P121 Y167 L239 S240 F241 T247V117-S243 PolarHBondContact O-OG 2.76Å; P121-S243 WeakPolarHBondContact CG-OG 3.38Å; Y167-S243 WeakPolarHBondContact OH-CB 3.23Å; Y167-S243 PolarHBondContact OH-OG 3.25Å; L239-S243 VanDerWaalsContact O-CB 3.29Å; L239-S243 WeakPolarHBondContact O-CB 3.45Å; L239-S243 PolarHBondContact O-N 2.82Å; S240-S243 PolarHBondContact O-N 3.46Å; F241-S243 VanDerWaalsContact C-N 3.35Å; F241-S243 PolarHBondContact O-N 3.15Å; S243-T247 WeakPolarHBondContact O-CB 3.47Å; S243-T247 PolarHBondContact O-N 3.21Å; S243-T247 PolarHBondContact O-OG1 3.5Å
244A97.8Very high93.7Very high5 Ų519 Ų194%0.04110%0.101CC..Hα-helixtrans-63-50.4177.600000112.1S240 F241 Y246 T247 V248 L271 L272 A275S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 3.09Å; F241-A244 PolarHBondContact O-N 3.46Å; A244-Y246 PolarHBondContact O-N 3.1Å; A244-T247 PolarHBondContact O-N 2.94Å; A244-V248 VanDerWaalsContact O-CB 3.31Å; A244-V248 WeakPolarHBondContact O-CB 3.34Å; A244-V248 WeakPolarHBondContact O-CG2 3.47Å; A244-V248 PolarHBondContact O-N 3.38Å; A244-L271 HydrophobicContact CB-CB 4.4Å; A244-L271 WeakPolarHBondContact CB-O 3.35Å; A244-L272 HydrophobicContact CB-CD2 4.21Å; A244-A275 HydrophobicContact CB-CB 3.72Å
245I96.8Very high92.3Very high34 Ų3422 Ų2217%0.17411%0.114CC..Hα-helixtrans-62.1-45.7-178.5-65.6-73.7000111.1F241 Y242 T247 V248 M249 L272 A304F241-I245 HydrophobicContact CD1-CD1 4.43Å; F241-I245 HydrophobicContact CD1-CG1 3.73Å; F241-I245 HydrophobicContact CE1-CD1 3.82Å; F241-I245 HydrophobicContact CE1-CG1 3.62Å; F241-I245 HydrophobicContact CG-CG1 4.47Å; F241-I245 HydrophobicContact CZ-CD1 4.11Å; F241-I245 HydrophobicContact CZ-CG1 4.28Å; F241-I245 WeakPolarHBondContact O-CB 3.27Å; F241-I245 WeakPolarHBondContact O-CG1 3.31Å; F241-I245 PolarHBondContact O-N 3.43Å; Y242-I245 PolarHBondContact O-N 2.87Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.18Å; I245-V248 PolarHBondContact O-N 3.47Å; I245-M249 HydrophobicContact CG2-CG 4.46Å; I245-M249 HydrophobicContact CG2-SD 4.08Å; I245-M249 VanDerWaalsContact O-CG 3.3Å; I245-M249 WeakPolarHBondContact O-CG 3.47Å; I245-M249 PolarHBondContact O-N 3.3Å; I245-L272 HydrophobicContact CD1-CD2 3.75Å; I245-L272 HydrophobicContact CG1-CD2 4.36Å; I245-A304 HydrophobicContact CB-CB 3.82Å; I245-A304 HydrophobicContact CG2-CB 3.55Å
246Y95.8Very high90.7Very high1 Ų130.6 Ų30.60%0.00415%0.146CC..Hα-helixtrans-60.2-45.1177.8-170.4-87.5000111.7I125 F163 V166 Y167 Y242 A244 M249 Y250 V308 I312I125-Y246 HydrophobicContact CD1-CE1 4.09Å; F163-Y246 PolarHBondContact O-OH 2.98Å; V166-Y246 HydrophobicContact CG1-CE2 4.12Å; Y167-Y246 AromaticContact CD2-CD1 3.4Å; Y167-Y246 HydrophobicContact CD2-CD1 3.4Å; Y167-Y246 VanDerWaalsContact CD2-CD1 3.4Å; Y167-Y246 HydrophobicContact CD2-CD2 4.31Å; Y167-Y246 AromaticContact CD2-CE1 3.75Å; Y167-Y246 HydrophobicContact CD2-CE1 3.75Å; Y167-Y246 AromaticContact CD2-CG 3.7Å; Y167-Y246 HydrophobicContact CD2-CG 3.7Å; Y167-Y246 HydrophobicContact CE2-CD1 4.19Å; Y167-Y246 HydrophobicContact CE2-CG 4.3Å; Y167-Y246 HydrophobicContact CG-CD1 4.19Å; Y167-Y246 HydrophobicContact CG-CE1 4.1Å; Y167-Y246 PolarHBondContact N-OH 2.85Å; Y242-Y246 WeakPolarHBondContact O-CB 3.2Å; Y242-Y246 PolarHBondContact O-N 2.7Å; A244-Y246 PolarHBondContact O-N 3.1Å; Y246-M249 PolarHBondContact O-N 2.87Å; Y246-Y250 PolarHBondContact O-N 2.99Å; Y246-V308 HydrophobicContact CD2-CG2 3.59Å; Y246-V308 HydrophobicContact CE2-CG2 3.85Å; Y246-V308 HydrophobicContact CG-CG2 4.44Å; Y246-I312 HydrophobicContact CE2-CD1 3.91Å
247T94.8Very high88.7Confident2 Ų234.2 Ų34.21%0.01217%0.169CC..Hα-helixtrans-65.8-42.8179.1-53.40000111.7P121 T124 S243 A244 I245 M249 Y250 V251 L271P121-T247 WeakPolarHBondContact CB-OG1 3.26Å; P121-T247 WeakPolarHBondContact CG-OG1 3.4Å; T124-T247 HydrophobicContact CG2-CG2 3.83Å; S243-T247 WeakPolarHBondContact O-CB 3.47Å; S243-T247 PolarHBondContact O-N 3.21Å; S243-T247 PolarHBondContact O-OG1 3.5Å; A244-T247 PolarHBondContact O-N 2.94Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 3.18Å; T247-M249 VanDerWaalsContact C-N 3.35Å; T247-M249 PolarHBondContact O-N 3.19Å; T247-Y250 PolarHBondContact O-N 2.64Å; T247-V251 HydrophobicContact CG2-CG2 4.47Å; T247-V251 WeakPolarHBondContact O-CB 3.4Å; T247-V251 VanDerWaalsContact O-CG2 3.3Å; T247-V251 WeakPolarHBondContact O-CG2 3.5Å; T247-V251 PolarHBondContact O-N 3.4Å; T247-L271 HydrophobicContact CG2-CD1 3.64Å; T247-L271 HydrophobicContact CG2-CD2 4.39Å
248V93.5Very high86.6Confident22 Ų2244.9 Ų44.913%0.13322%0.215CC..Hα-helixtrans-57.7-45.4174.1162.60000111.3A244 I245 T252 C268 L271 L272A244-V248 VanDerWaalsContact O-CB 3.31Å; A244-V248 WeakPolarHBondContact O-CB 3.34Å; A244-V248 WeakPolarHBondContact O-CG2 3.47Å; A244-V248 PolarHBondContact O-N 3.38Å; I245-V248 PolarHBondContact O-N 3.47Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.32Å; V248-T252 PolarHBondContact O-N 3.24Å; V248-T252 PolarHBondContact O-OG1 2.89Å; V248-C268 HydrophobicContact CG1-CB 4.08Å; V248-C268 HydrophobicContact CG2-CB 3.84Å; V248-L271 HydrophobicContact CG2-CB 4.14Å; V248-L271 HydrophobicContact CG2-CD1 4.1Å; V248-L272 HydrophobicContact CG2-CG 4.27Å
249M90.1Very high84.9Confident52 Ų5246.9 Ų46.926%0.25624%0.236SC..Hα-helixtrans-67-41.1178-67.1-178.48700111.6I245 Y246 T247 T252 L253 V308I245-M249 HydrophobicContact CG2-CG 4.46Å; I245-M249 HydrophobicContact CG2-SD 4.08Å; I245-M249 VanDerWaalsContact O-CG 3.3Å; I245-M249 WeakPolarHBondContact O-CG 3.47Å; I245-M249 PolarHBondContact O-N 3.3Å; Y246-M249 PolarHBondContact O-N 2.87Å; T247-M249 VanDerWaalsContact C-N 3.35Å; T247-M249 PolarHBondContact O-N 3.19Å; M249-T252 PolarHBondContact O-N 3.11Å; M249-L253 VanDerWaalsContact O-CG 3.29Å; M249-L253 WeakPolarHBondContact O-CG 3.42Å; M249-L253 PolarHBondContact O-N 3.44Å; M249-V308 HydrophobicContact CB-CG1 4.03Å; M249-V308 HydrophobicContact CB-CG2 4.27Å; M249-V308 HydrophobicContact CE-CB 3.67Å; M249-V308 HydrophobicContact CE-CG1 3.48Å; M249-V308 VanDerWaalsContact CE-CG1 3.48Å; M249-V308 HydrophobicContact CE-CG2 4.43Å; M249-V308 HydrophobicContact SD-CB 3.66Å; M249-V308 HydrophobicContact SD-CG1 3.87Å; M249-V308 HydrophobicContact SD-CG2 3.76Å
250Y89.3Confident83.3Confident6 Ų651.3 Ų51.32%0.02426%0.263CS..Hα-helixtrans-60.7-49.1174.9175.3-96.3000112.2T124 I125 E129 F163 Y246 T247 T252 L253 M254T124-Y250 HydrophobicContact CG2-CD1 4.09Å; T124-Y250 HydrophobicContact CG2-CE1 4.25Å; T124-Y250 WeakPolarHBondContact O-CE1 3.21Å; I125-Y250 WeakPolarHBondContact CA-OH 3.32Å; I125-Y250 HydrophobicContact CB-CE1 4.36Å; I125-Y250 HydrophobicContact CG1-CD1 4.07Å; I125-Y250 HydrophobicContact CG1-CD2 4.19Å; I125-Y250 HydrophobicContact CG1-CE1 3.98Å; I125-Y250 HydrophobicContact CG1-CE2 4.11Å; I125-Y250 HydrophobicContact CG1-CG 4.17Å; I125-Y250 HydrophobicContact CG2-CE2 4.47Å; I125-Y250 PolarHBondContact O-OH 3.39Å; E129-Y250 PolarHBondContact N-OH 2.9Å; F163-Y250 HydrophobicContact CD1-CD2 4.26Å; F163-Y250 HydrophobicContact CD1-CE2 4.48Å; F163-Y250 HydrophobicContact CD2-CE2 4.05Å; F163-Y250 HydrophobicContact CE1-CD2 4.32Å; F163-Y250 HydrophobicContact CE2-CE2 4.16Å; F163-Y250 HydrophobicContact CG-CD2 4.41Å; F163-Y250 HydrophobicContact CG-CE2 4.23Å; F163-Y250 HydrophobicContact CZ-CE2 4.43Å; Y246-Y250 PolarHBondContact O-N 2.99Å; T247-Y250 PolarHBondContact O-N 2.64Å; Y250-T252 VanDerWaalsContact C-N 3.31Å; Y250-T252 PolarHBondContact O-N 2.92Å; Y250-L253 PolarHBondContact O-N 3.23Å; Y250-M254 HydrophobicContact CD1-CG 4.36Å; Y250-M254 HydrophobicContact CD2-CG 4.08Å; Y250-M254 HydrophobicContact CE1-CG 3.94Å; Y250-M254 HydrophobicContact CE2-CE 4.29Å; Y250-M254 HydrophobicContact CE2-CG 3.63Å; Y250-M254 HydrophobicContact CE2-SD 4.33Å; Y250-M254 HydrophobicContact CG-CG 4.43Å; Y250-M254 WeakPolarHBondContact O-CB 3.43Å; Y250-M254 WeakPolarHBondContact O-CG 2.93Å; Y250-M254 PolarHBondContact O-N 3.46Å; Y250-M254 WeakPolarHBondContact OH-CE 3.26Å
251V88.3Confident82.1Confident1 Ų162.4 Ų62.41%0.00630%0.304CS..Hα-helixtrans-56.1-46.2174.11660000110.7T124 T247 L253 M254 F255 L267T124-V251 HydrophobicContact CG2-CG2 3.74Å; T247-V251 HydrophobicContact CG2-CG2 4.47Å; T247-V251 WeakPolarHBondContact O-CB 3.4Å; T247-V251 VanDerWaalsContact O-CG2 3.3Å; T247-V251 WeakPolarHBondContact O-CG2 3.5Å; T247-V251 PolarHBondContact O-N 3.4Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.1Å; V251-M254 PolarHBondContact O-N 2.77Å; V251-F255 HydrophobicContact CB-CD2 4.36Å; V251-F255 HydrophobicContact CG1-CD2 3.79Å; V251-F255 HydrophobicContact CG1-CE2 4.11Å; V251-F255 HydrophobicContact CG2-CE2 4.4Å; V251-F255 WeakPolarHBondContact O-CD2 3.47Å; V251-F255 PolarHBondContact O-N 3.24Å; V251-F255 VanDerWaalsContact O-N 3.11Å; V251-L267 HydrophobicContact CG1-CD2 3.98Å; V251-L267 HydrophobicContact CG2-CD2 3.9Å
252T86.1Confident81.3Confident80 Ų8066.5 Ų66.549%0.49133%0.327SS..Hα-helixtrans-61.4-37.1179.4-60.90000112.5V248 M249 Y250V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.32Å; V248-T252 PolarHBondContact O-N 3.24Å; V248-T252 PolarHBondContact O-OG1 2.89Å; M249-T252 PolarHBondContact O-N 3.11Å; Y250-T252 VanDerWaalsContact C-N 3.31Å; Y250-T252 PolarHBondContact O-N 2.92Å
253L79.8Confident80.4Confident55 Ų5571 Ų7129%0.28835%0.35SS..Hα-helixtrans-74.6-42.1177.4-71.3170.1000112.9M249 Y250 V251 V308 I312M249-L253 VanDerWaalsContact O-CG 3.29Å; M249-L253 WeakPolarHBondContact O-CG 3.42Å; M249-L253 PolarHBondContact O-N 3.44Å; Y250-L253 PolarHBondContact O-N 3.23Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.1Å; L253-V308 HydrophobicContact CD1-CG1 4.48Å; L253-I312 HydrophobicContact CD1-CG2 4.43Å
254M76.3Confident79.6Confident44 Ų4474.1 Ų74.122%0.21736%0.362CS..Hα-helixtrans-78-43.3-171.8-73.8-62.7-97.600113.6G128 E129 Y250 V251 R256G128-M254 WeakPolarHBondContact O-CE 3.17Å; E129-M254 HydrophobicContact CG-CE 4.3Å; E129-M254 WeakPolarHBondContact OE1-CE 3.42Å; E129-M254 WeakPolarHBondContact OE2-CE 3.49Å; Y250-M254 HydrophobicContact CD1-CG 4.36Å; Y250-M254 HydrophobicContact CD2-CG 4.08Å; Y250-M254 HydrophobicContact CE1-CG 3.94Å; Y250-M254 HydrophobicContact CE2-CE 4.29Å; Y250-M254 HydrophobicContact CE2-CG 3.63Å; Y250-M254 HydrophobicContact CE2-SD 4.33Å; Y250-M254 HydrophobicContact CG-CG 4.43Å; Y250-M254 WeakPolarHBondContact O-CB 3.43Å; Y250-M254 WeakPolarHBondContact O-CG 2.93Å; Y250-M254 PolarHBondContact O-N 3.46Å; Y250-M254 WeakPolarHBondContact OH-CE 3.26Å; V251-M254 PolarHBondContact O-N 2.77Å; M254-R256 PolarHBondContact O-N 3.36Å
255F68.9Low79.2Confident63 Ų6376.9 Ų76.928%0.27638%0.38SS..THydrogen-bonded Turntrans-77.535.1-176.7-70.6-85000113.4V251 T257 M263 K264V251-F255 HydrophobicContact CB-CD2 4.36Å; V251-F255 HydrophobicContact CG1-CD2 3.79Å; V251-F255 HydrophobicContact CG1-CE2 4.11Å; V251-F255 HydrophobicContact CG2-CE2 4.4Å; V251-F255 WeakPolarHBondContact O-CD2 3.47Å; V251-F255 PolarHBondContact O-N 3.24Å; V251-F255 VanDerWaalsContact O-N 3.11Å; F255-T257 PolarHBondContact O-N 2.67Å; F255-M263 HydrophobicContact CD1-CE 4.22Å; F255-M263 HydrophobicContact CE1-CE 3.96Å; F255-K264 HydrophobicContact CB-CD 4.26Å; F255-K264 HydrophobicContact CB-CG 4.26Å; F255-K264 WeakPolarHBondContact O-CE 3.35Å; F255-K264 PolarHBondContact O-NZ 3.2Å
256R62.3Low78.8Confident202 Ų20279.1 Ų79.176%0.76240%0.395SS*.THydrogen-bonded Turntrans-65.7-14175.2-99.8-174.2155.5145.6-2.1114.1M254M254-R256 PolarHBondContact O-N 3.36Å
257T54.6Low78.6Confident90 Ų9082 Ų8255%0.55241%0.41SS*.SBendtrans-69.3164.917146.60000112.3F255 G259F255-T257 PolarHBondContact O-N 2.67Å; T257-G259 PolarHBondContact O-N 3.1Å
258K55.2Low78.4Confident223 Ų22382.7 Ų82.797%0.9742%0.415SS*.SBendtrans-73.752.5-170.9-61.9176.7179.4174.50113.9
259G62.6Low78.4Confident43 Ų4387.2 Ų87.244%0.44344%0.438SS..  trans-71.2175.8174.500000113.6T257 R261T257-G259 PolarHBondContact O-N 3.1Å; G259-R261 PolarHBondContact O-N 2.85Å
260T64.7Low78.7Confident96 Ų9688 Ų8859%0.58945%0.446SS*.  trans-60.2134.6176.151.70000111.1L262 M263T260-L262 PolarHBondContact O-N 2.94Å; T260-L262 VanDerWaalsContact O-N 3.08Å; T260-M263 PolarHBondContact O-N 2.73Å; T260-M263 WeakPolarHBondContact OG1-CB 3.33Å
261R72.8Confident79Confident241 Ų24188.4 Ų88.491%0.90945%0.448SS*.THydrogen-bonded Turntrans-60.9-24.5-171-65.1-173.1179.9-155.51.8114G259G259-R261 PolarHBondContact O-N 2.85Å
262L80.7Confident79.4Confident129 Ų12990.7 Ų90.768%0.67546%0.46SS*.THydrogen-bonded Turntrans-99.3-20-175.4-61.9176.5000114.8T260 K264 P265 T266T260-L262 PolarHBondContact O-N 2.94Å; T260-L262 VanDerWaalsContact O-N 3.08Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.15Å; L262-P265 WeakPolarHBondContact O-CD 3.46Å; L262-P265 VanDerWaalsContact O-CG 3.28Å; L262-P265 WeakPolarHBondContact O-CG 2.96Å; L262-T266 WeakPolarHBondContact O-CB 3.39Å; L262-T266 PolarHBondContact O-N 2.78Å; L262-T266 VanDerWaalsContact O-N 3.09Å; L262-T266 PolarHBondContact O-OG1 3Å
263M80.7Confident79.9Confident96 Ų9690.1 Ų90.147%0.47346%0.459SS..Hα-helixtrans-64.2-35.2-173.5-177.517476.500112.8F255 T260 L267F255-M263 HydrophobicContact CD1-CE 4.22Å; F255-M263 HydrophobicContact CE1-CE 3.96Å; T260-M263 PolarHBondContact O-N 2.73Å; T260-M263 WeakPolarHBondContact OG1-CB 3.33Å; M263-L267 VanDerWaalsContact O-CB 3.28Å; M263-L267 WeakPolarHBondContact O-CB 3.46Å; M263-L267 PolarHBondContact O-N 3.31Å
264K81.7Confident80.7Confident72 Ų7291.5 Ų91.531%0.31347%0.466SS..Hα-helixtrans-64.7-59176.4-53177.6-168.9-179.70112.8F255 L262 T266 L267 C268F255-K264 HydrophobicContact CB-CD 4.26Å; F255-K264 HydrophobicContact CB-CG 4.26Å; F255-K264 WeakPolarHBondContact O-CE 3.35Å; F255-K264 PolarHBondContact O-NZ 3.2Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.15Å; K264-T266 VanDerWaalsContact C-N 3.3Å; K264-T266 PolarHBondContact O-N 2.74Å; K264-L267 PolarHBondContact O-N 3.46Å; K264-C268 PolarHBondContact O-N 3.22Å; K264-C268 PolarHBondContact O-SG 2.83Å
265P87.8Confident81.7Confident62 Ų6289.6 Ų89.640%0.40346%0.458SS..Hα-helixtrans-60.7-39.3-179.723-33.6000111.6L262 C268 L269L262-P265 WeakPolarHBondContact O-CD 3.46Å; L262-P265 VanDerWaalsContact O-CG 3.28Å; L262-P265 WeakPolarHBondContact O-CG 2.96Å; P265-C268 PolarHBondContact O-N 3.46Å; P265-L269 WeakPolarHBondContact O-CB 3.46Å; P265-L269 VanDerWaalsContact O-CG 3.25Å; P265-L269 WeakPolarHBondContact O-CG 3.36Å; P265-L269 PolarHBondContact O-N 3.19Å
266T89.8Confident83.1Confident81 Ų8189.5 Ų89.550%0.49746%0.462SS..Hα-helixtrans-60.8-48.9176.4-57.60000112.1L262 K264 C268 L269 V270L262-T266 WeakPolarHBondContact O-CB 3.39Å; L262-T266 PolarHBondContact O-N 2.78Å; L262-T266 VanDerWaalsContact O-N 3.09Å; L262-T266 PolarHBondContact O-OG1 3Å; K264-T266 VanDerWaalsContact C-N 3.3Å; K264-T266 PolarHBondContact O-N 2.74Å; T266-C268 VanDerWaalsContact C-N 3.29Å; T266-C268 PolarHBondContact O-N 3.06Å; T266-L269 PolarHBondContact O-N 3.35Å; T266-V270 WeakPolarHBondContact O-CG2 3.43Å; T266-V270 PolarHBondContact O-N 2.87Å
267L89.8Confident84.8Confident62 Ų6284.7 Ų84.733%0.32545%0.451SS..Hα-helixtrans-61-40.1177.1-179.758.1000111.5V251 M263 K264 V270 L271V251-L267 HydrophobicContact CG1-CD2 3.98Å; V251-L267 HydrophobicContact CG2-CD2 3.9Å; M263-L267 VanDerWaalsContact O-CB 3.28Å; M263-L267 WeakPolarHBondContact O-CB 3.46Å; M263-L267 PolarHBondContact O-N 3.31Å; K264-L267 PolarHBondContact O-N 3.46Å; L267-V270 PolarHBondContact O-N 3.38Å; L267-L271 HydrophobicContact CD1-CD1 4.29Å; L267-L271 HydrophobicContact CD1-CG 4.34Å; L267-L271 HydrophobicContact CG-CD1 4.16Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 2.65Å
268C92Very high86.9Confident16 Ų1681.5 Ų81.511%0.10843%0.431CS..Hα-helixtrans-67.1-41.5178.6-61.10000112.5V248 K264 P265 T266 L271 L272V248-C268 HydrophobicContact CG1-CB 4.08Å; V248-C268 HydrophobicContact CG2-CB 3.84Å; K264-C268 PolarHBondContact O-N 3.22Å; K264-C268 PolarHBondContact O-SG 2.83Å; P265-C268 PolarHBondContact O-N 3.46Å; T266-C268 VanDerWaalsContact C-N 3.29Å; T266-C268 PolarHBondContact O-N 3.06Å; C268-L271 PolarHBondContact O-N 3.38Å; C268-L272 WeakPolarHBondContact O-CB 3.28Å; C268-L272 VanDerWaalsContact O-CG 3.3Å; C268-L272 WeakPolarHBondContact O-CG 3.33Å; C268-L272 PolarHBondContact O-N 3.33Å
269L93.8Very high88.9Confident117 Ų11770.9 Ų70.961%0.61339%0.385SS*.Hα-helixtrans-64.7-38.8176.2-72.6170000112P265 T266 S273P265-L269 WeakPolarHBondContact O-CB 3.46Å; P265-L269 VanDerWaalsContact O-CG 3.25Å; P265-L269 WeakPolarHBondContact O-CG 3.36Å; P265-L269 PolarHBondContact O-N 3.19Å; T266-L269 PolarHBondContact O-N 3.35Å; L269-S273 VanDerWaalsContact O-CB 3.28Å; L269-S273 WeakPolarHBondContact O-CB 3.41Å; L269-S273 PolarHBondContact O-N 2.99Å; L269-S273 PolarHBondContact O-OG 3.25Å
270V95.4Very high90.6Very high70 Ų7072.3 Ų72.342%0.42439%0.385SS..Hα-helixtrans-65.1-44.7175.3170.30000111.5T266 L267 L272 S273 L274T266-V270 WeakPolarHBondContact O-CG2 3.43Å; T266-V270 PolarHBondContact O-N 2.87Å; L267-V270 PolarHBondContact O-N 3.38Å; V270-L272 PolarHBondContact O-N 3.02Å; V270-S273 PolarHBondContact O-N 3.42Å; V270-S273 PolarHBondContact O-OG 3.19Å; V270-S273 VanDerWaalsContact O-OG 3.1Å; V270-L274 HydrophobicContact CG1-CD1 4.05Å; V270-L274 WeakPolarHBondContact O-CB 3.15Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.08Å; V270-L274 PolarHBondContact O-N 3.1Å
271L95.9Very high92.1Very high13 Ų1368.6 Ų68.67%0.06836%0.363CS..Hα-helixtrans-62.6-42.9177.7-69.7168.7000111.9I120 A244 T247 V248 L267 C268 A275I120-L271 HydrophobicContact CG2-CD2 3.46Å; I120-L271 VanDerWaalsContact CG2-CD2 3.46Å; A244-L271 HydrophobicContact CB-CB 4.4Å; A244-L271 WeakPolarHBondContact CB-O 3.35Å; T247-L271 HydrophobicContact CG2-CD1 3.64Å; T247-L271 HydrophobicContact CG2-CD2 4.39Å; V248-L271 HydrophobicContact CG2-CB 4.14Å; V248-L271 HydrophobicContact CG2-CD1 4.1Å; L267-L271 HydrophobicContact CD1-CD1 4.29Å; L267-L271 HydrophobicContact CD1-CG 4.34Å; L267-L271 HydrophobicContact CG-CD1 4.16Å; L267-L271 VanDerWaalsContact O-CG 3.27Å; L267-L271 WeakPolarHBondContact O-CG 3.24Å; L267-L271 PolarHBondContact O-N 2.65Å; C268-L271 PolarHBondContact O-N 3.38Å; L271-A275 PolarHBondContact O-N 3.35Å
272L96.8Very high93.2Very high49 Ų4957.3 Ų57.326%0.25732%0.32SS..Hα-helixtrans-69.6-40.3177.9-69.3169.8000112.3F241 A244 I245 V248 C268 V270 A275 V276F241-L272 HydrophobicContact CE2-CD2 4.36Å; A244-L272 HydrophobicContact CB-CD2 4.21Å; I245-L272 HydrophobicContact CD1-CD2 3.75Å; I245-L272 HydrophobicContact CG1-CD2 4.36Å; V248-L272 HydrophobicContact CG2-CG 4.27Å; C268-L272 WeakPolarHBondContact O-CB 3.28Å; C268-L272 VanDerWaalsContact O-CG 3.3Å; C268-L272 WeakPolarHBondContact O-CG 3.33Å; C268-L272 PolarHBondContact O-N 3.33Å; V270-L272 PolarHBondContact O-N 3.02Å; L272-A275 PolarHBondContact O-N 3.11Å; L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 2.92Å
273S97.2Very high94Very high69 Ų6953.6 Ų53.648%0.48330%0.302SS..Hα-helixtrans-67.5-36.9179.4690000112.2L269 V270 V276 L277L269-S273 VanDerWaalsContact O-CB 3.28Å; L269-S273 WeakPolarHBondContact O-CB 3.41Å; L269-S273 PolarHBondContact O-N 2.99Å; L269-S273 PolarHBondContact O-OG 3.25Å; V270-S273 PolarHBondContact O-N 3.42Å; V270-S273 PolarHBondContact O-OG 3.19Å; V270-S273 VanDerWaalsContact O-OG 3.1Å; S273-V276 PolarHBondContact O-N 3.45Å; S273-L277 WeakPolarHBondContact O-CB 3.49Å; S273-L277 PolarHBondContact O-N 3.42Å
274L96.4Very high94.7Very high84 Ų8452.9 Ų52.944%0.4430%0.303SS..Hα-helixtrans-61.5-44.2171.6-72171000111.8V270 L277 V278V270-L274 HydrophobicContact CG1-CD1 4.05Å; V270-L274 WeakPolarHBondContact O-CB 3.15Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.08Å; V270-L274 PolarHBondContact O-N 3.1Å; L274-L277 WeakPolarHBondContact O-CB 3.38Å; L274-L277 PolarHBondContact O-N 3.04Å; L274-V278 PolarHBondContact O-N 3.2Å
275A97.6Very high95.4Very high4 Ų450.7 Ų50.73%0.03329%0.294CS..Hα-helixtrans-65.6-39.7176.900000113.1S240 F241 A244 L271 L272 L277 V278S240-A275 WeakPolarHBondContact O-CB 3.32Å; F241-A275 HydrophobicContact CD2-CB 4.37Å; A244-A275 HydrophobicContact CB-CB 3.72Å; L271-A275 PolarHBondContact O-N 3.35Å; L272-A275 PolarHBondContact O-N 3.11Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-V278 PolarHBondContact O-N 2.93Å
276V98.1Very high95.7Very high60 Ų6050.7 Ų50.736%0.36429%0.289SS..Hα-helixtrans-64.6-40174.2171.20000111L272 S273 V278 G279 V280 F297L272-V276 WeakPolarHBondContact O-CG2 3.42Å; L272-V276 PolarHBondContact O-N 2.92Å; S273-V276 PolarHBondContact O-N 3.45Å; V276-V278 VanDerWaalsContact C-N 3.33Å; V276-V278 PolarHBondContact O-N 3.3Å; V276-G279 PolarHBondContact O-N 2.9Å; V276-G279 VanDerWaalsContact O-N 3.1Å; V276-V280 HydrophobicContact CG1-CG2 4.24Å; V276-V280 WeakPolarHBondContact O-CG2 3.38Å; V276-V280 PolarHBondContact O-N 3.17Å; V276-F297 HydrophobicContact CG2-CE2 4.48Å; V276-F297 HydrophobicContact CG2-CZ 4.47Å
277L97.8Very high96Very high101 Ų10147.3 Ų47.353%0.52927%0.267SS..Hα-helixtrans-60-39.8179-177.562.6000112.3S273 L274 A275 G279 V280 V281S273-L277 WeakPolarHBondContact O-CB 3.49Å; S273-L277 PolarHBondContact O-N 3.42Å; L274-L277 WeakPolarHBondContact O-CB 3.38Å; L274-L277 PolarHBondContact O-N 3.04Å; A275-L277 VanDerWaalsContact C-N 3.34Å; L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 3.43Å; L277-V280 PolarHBondContact O-N 2.91Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.11Å
278V97.6Very high96.3Very high23 Ų2345 Ų4514%0.13926%0.255CS..Hα-helixtrans-58.2-45.4174176.20000111V113 D236 L274 A275 V276 V281 R282V113-V278 HydrophobicContact CG1-CG1 4.29Å; V113-V278 HydrophobicContact CG2-CG1 4.07Å; V113-V278 HydrophobicContact CG2-CG2 4.48Å; D236-V278 HydrophobicContact CB-CG1 3.84Å; L274-V278 PolarHBondContact O-N 3.2Å; A275-V278 PolarHBondContact O-N 2.93Å; V276-V278 VanDerWaalsContact C-N 3.33Å; V276-V278 PolarHBondContact O-N 3.3Å; V278-V281 PolarHBondContact O-N 3.26Å; V278-R282 WeakPolarHBondContact O-CG 3.43Å; V278-R282 PolarHBondContact O-N 2.95Å; V278-R282 VanDerWaalsContact O-N 3.1Å
279G97.3Very high96.5Very high1 Ų146.3 Ų46.31%0.0126%0.259CS..Hα-helixtrans-63.3-40.8175.300000113.4V276 L277 V281 R282 V283V276-G279 PolarHBondContact O-N 2.9Å; V276-G279 VanDerWaalsContact O-N 3.1Å; L277-G279 VanDerWaalsContact C-N 3.32Å; L277-G279 PolarHBondContact O-N 3.43Å; G279-V281 PolarHBondContact O-N 3.07Å; G279-R282 PolarHBondContact O-N 3.49Å; G279-V283 PolarHBondContact O-N 3.01Å
280V98Very high96.7Very high73 Ų7348.7 Ų48.744%0.44226%0.26SS..Hα-helixtrans-62.1-42.9175.3172.80000111.2V276 L277 R282 V283 T284V276-V280 HydrophobicContact CG1-CG2 4.24Å; V276-V280 WeakPolarHBondContact O-CG2 3.38Å; V276-V280 PolarHBondContact O-N 3.17Å; L277-V280 PolarHBondContact O-N 2.91Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 2.83Å; V280-V283 PolarHBondContact O-N 2.89Å; V280-T284 HydrophobicContact CG1-CG2 4.18Å; V280-T284 WeakPolarHBondContact O-CG2 3.26Å; V280-T284 PolarHBondContact O-N 3.03Å; V280-T284 PolarHBondContact O-OG1 3.49Å; V280-T284 VanDerWaalsContact O-OG1 3.11Å
281V97.2Very high96.8Very high18 Ų1849.3 Ų49.311%0.10926%0.261CS..Hα-helixtrans-57.9-46174.9171.10000110.6K107 A108 L277 V278 G279 V283 T284 E285K107-V281 HydrophobicContact CB-CG1 3.88Å; K107-V281 HydrophobicContact CB-CG2 4.43Å; A108-V281 HydrophobicContact CB-CB 4.1Å; A108-V281 HydrophobicContact CB-CG1 3.66Å; L277-V281 WeakPolarHBondContact O-CG2 3.49Å; L277-V281 PolarHBondContact O-N 3.11Å; V278-V281 PolarHBondContact O-N 3.26Å; G279-V281 PolarHBondContact O-N 3.07Å; V281-V283 VanDerWaalsContact C-N 3.31Å; V281-V283 PolarHBondContact O-N 3.44Å; V281-T284 WeakPolarHBondContact CA-OG1 3.05Å; V281-T284 PolarHBondContact O-N 2.88Å; V281-T284 PolarHBondContact O-OG1 3.34Å; V281-E285 HydrophobicContact CG1-CG 4.22Å; V281-E285 WeakPolarHBondContact O-CB 3.41Å; V281-E285 PolarHBondContact O-N 3.12Å
282R96.4Very high96.8Very high3 Ų348.9 Ų48.91%0.01126%0.259CS..Hα-helixtrans-59.9-35.2178.8-69.9-68.7177.2-152.8-4.6114.1E103 A108 D236 V278 G279 V280 R287 N288 V293E103-R282 IonicContact OE1-NH1 3.68Å; E103-R282 IonicContact OE2-CZ 3.58Å; E103-R282 IonicContact OE2-NH1 3.71Å; E103-R282 PolarHBondContact OE2-NH1 2.89Å; E103-R282 IonicContact OE2-NH2 2.67Å; E103-R282 PolarHBondContact OE2-NH2 3.49Å; A108-R282 PolarHBondContact O-NH2 2.93Å; D236-R282 IonicContact OD1-NH2 3.83Å; D236-R282 IonicContact OD2-CZ 3.09Å; D236-R282 IonicContact OD2-NE 3.85Å; D236-R282 PolarHBondContact OD2-NE 2.86Å; D236-R282 IonicContact OD2-NH2 3.39Å; D236-R282 PolarHBondContact OD2-NH2 2.04Å; V278-R282 WeakPolarHBondContact O-CG 3.43Å; V278-R282 PolarHBondContact O-N 2.95Å; V278-R282 VanDerWaalsContact O-N 3.1Å; G279-R282 PolarHBondContact O-N 3.49Å; V280-R282 VanDerWaalsContact C-N 3.32Å; V280-R282 PolarHBondContact O-N 2.83Å; R282-R287 PolarHBondContact O-N 2.91Å; R282-N288 HydrophobicContact CB-CB 4.39Å; R282-N288 WeakPolarHBondContact CB-OD1 3.22Å; R282-N288 PolarHBondContact O-N 2.96Å; R282-V293 HydrophobicContact CB-CG2 4.28Å
283V96.9Very high96.9Very high51 Ų5147 Ų4731%0.30925%0.249SC..Hα-helixtrans-74.5-45.4173.7-178.80000111.7G279 V280 V281 E285 H286 W290 V293G279-V283 PolarHBondContact O-N 3.01Å; V280-V283 PolarHBondContact O-N 2.89Å; V281-V283 VanDerWaalsContact C-N 3.31Å; V281-V283 PolarHBondContact O-N 3.44Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 3.36Å; V283-H286 PolarHBondContact O-N 3.37Å; V283-H286 PolarHBondContact O-ND1 3.44Å; V283-W290 HydrophobicContact CG2-CB 4.38Å; V283-V293 HydrophobicContact CG2-CB 4.33Å; V283-V293 HydrophobicContact CG2-CG2 3.82Å
284T96Very high97Very high81 Ų8147.9 Ų47.950%0.49725%0.248SC..Hα-helixtrans-67.1-31.6-177.556.50000113V280 V281 H286V280-T284 HydrophobicContact CG1-CG2 4.18Å; V280-T284 WeakPolarHBondContact O-CG2 3.26Å; V280-T284 PolarHBondContact O-N 3.03Å; V280-T284 PolarHBondContact O-OG1 3.49Å; V280-T284 VanDerWaalsContact O-OG1 3.11Å; V281-T284 WeakPolarHBondContact CA-OG1 3.05Å; V281-T284 PolarHBondContact O-N 2.88Å; V281-T284 PolarHBondContact O-OG1 3.34Å; T284-H286 VanDerWaalsContact C-N 3.25Å; T284-H286 PolarHBondContact O-N 3.35Å
285E95.3Very high97.1Very high26 Ų2644.9 Ų44.912%0.12124%0.236CC..THydrogen-bonded Turntrans-87.213.2172.3-62-172.716300113P100 S106 K107 V281 V283 R287P100-E285 HydrophobicContact CB-CB 4.46Å; P100-E285 VanDerWaalsContact CB-O 3.23Å; P100-E285 WeakPolarHBondContact CB-O 3.39Å; P100-E285 WeakPolarHBondContact CG-O 3.21Å; S106-E285 WeakPolarHBondContact CA-OE2 3.17Å; S106-E285 WeakPolarHBondContact CB-OE2 2.88Å; S106-E285 PolarHBondContact OG-OE2 3.24Å; K107-E285 VanDerWaalsContact CB-OE1 3.29Å; K107-E285 WeakPolarHBondContact CB-OE1 3.38Å; K107-E285 WeakPolarHBondContact CD-OE1 3.37Å; K107-E285 WeakPolarHBondContact CG-OE1 3.27Å; K107-E285 PolarHBondContact N-OE1 3.25Å; V281-E285 HydrophobicContact CG1-CG 4.22Å; V281-E285 WeakPolarHBondContact O-CB 3.41Å; V281-E285 PolarHBondContact O-N 3.12Å; V283-E285 VanDerWaalsContact C-N 3.32Å; V283-E285 PolarHBondContact O-N 3.36Å; E285-R287 HydrophobicContact CB-CG 4.32Å; E285-R287 WeakPolarHBondContact O-CG 3.29Å; E285-R287 PolarHBondContact O-N 3.35Å; E285-R287 IonicContact OE2-CZ 2.73Å; E285-R287 IonicContact OE2-NH1 3.88Å; E285-R287 PolarHBondContact OE2-NH1 2.91Å; E285-R287 IonicContact OE2-NH2 2.74Å
286H95Very high97.1Very high62 Ų6244.7 Ų44.729%0.28723%0.234SC..THydrogen-bonded Turntrans56.923.6174.1-55.2-27.1000114.4K97 P190 H191 V283 T284K97-H286 HydrophobicContact CB-CB 3.97Å; K97-H286 HydrophobicContact CG-CB 4.32Å; P190-H286 HydrophobicContact CB-CB 4.19Å; P190-H286 WeakPolarHBondContact CD-O 3.05Å; H191-H286 PolarHBondContact ND1-O 3.4Å; V283-H286 PolarHBondContact O-N 3.37Å; V283-H286 PolarHBondContact O-ND1 3.44Å; T284-H286 VanDerWaalsContact C-N 3.25Å; T284-H286 PolarHBondContact O-N 3.35Å
287R95.1Very high97.1Very high11 Ų1143.4 Ų43.44%0.04222%0.224CC..SBendtrans-85-28.3179.7-63.1-133.3-173.969.96.7112.7P100 P102 E103 S106 T189 R282 E285P100-R287 HydrophobicContact CG-CG 3.97Å; P102-R287 PolarHBondContact O-NH2 3.48Å; E103-R287 WeakPolarHBondContact OE1-CD 3.39Å; E103-R287 IonicContact OE1-CZ 2.68Å; E103-R287 IonicContact OE1-NE 3.5Å; E103-R287 PolarHBondContact OE1-NE 3.25Å; E103-R287 VanDerWaalsContact OE1-NE 3.09Å; E103-R287 IonicContact OE2-CZ 3.61Å; E103-R287 IonicContact OE2-NE 2.68Å; E103-R287 IonicContact OE2-NH1 3.78Å; S106-R287 VanDerWaalsContact CB-NH1 3.28Å; S106-R287 PolarHBondContact OG-NH1 3.23Å; S106-R287 VanDerWaalsContact OG-NH1 3.07Å; T189-R287 VanDerWaalsContact CG2-O 3.24Å; T189-R287 WeakPolarHBondContact CG2-O 3.42Å; R282-R287 PolarHBondContact O-N 2.91Å; E285-R287 HydrophobicContact CB-CG 4.32Å; E285-R287 WeakPolarHBondContact O-CG 3.29Å; E285-R287 PolarHBondContact O-N 3.35Å; E285-R287 IonicContact OE2-CZ 2.73Å; E285-R287 IonicContact OE2-NH1 3.88Å; E285-R287 PolarHBondContact OE2-NH1 2.91Å; E285-R287 IonicContact OE2-NH2 2.74Å
288N96.7Very high97.1Very high12 Ų1243 Ų436%0.06423%0.226CC..SBendtrans-136.9154.6175.8-63.6112.6000110.6S231 S234 R282 D292 V293S231-N288 PolarHBondContact O-ND2 3.38Å; S234-N288 PolarHBondContact OG-OD1 3.3Å; R282-N288 HydrophobicContact CB-CB 4.39Å; R282-N288 WeakPolarHBondContact CB-OD1 3.22Å; R282-N288 PolarHBondContact O-N 2.96Å; N288-D292 HydrophobicContact CB-CB 4.15Å; N288-V293 HydrophobicContact CB-CG2 3.89Å
289H96.6Very high97.1Very high44 Ų4443.9 Ų43.920%0.20423%0.231CC..  trans-75.1158.1164.4-60.6-85.6000110.1A94 Y95 Q188 N291 D292 V293A94-H289 PolarHBondContact O-CE1 3.33Å; Y95-H289 AromaticContact CD1-CE1 3.81Å; Y95-H289 AromaticContact CD1-NE2 3.46Å; Y95-H289 WeakPolarHBondContact CD1-NE2 3.23Å; Y95-H289 AromaticContact CE1-CE1 3.67Å; Y95-H289 AromaticContact CE1-NE2 2.96Å; Y95-H289 WeakPolarHBondContact CE1-NE2 3.07Å; Q188-H289 VanDerWaalsContact C-NE2 3.29Å; Q188-H289 PolarHBondContact O-NE2 3.16Å; H289-N291 PolarHBondContact O-N 2.8Å; H289-D292 WeakPolarHBondContact CB-OD2 3.36Å; H289-D292 IonicContact CD2-OD2 3.03Å; H289-D292 PolarHBondContact CD2-OD2 3.32Å; H289-D292 IonicContact CG-OD2 2.78Å; H289-D292 PolarHBondContact N-OD2 3.27Å; H289-D292 WeakPolarHBondContact O-CB 3.25Å; H289-D292 PolarHBondContact O-N 2.68Å; H289-D292 VanDerWaalsContact O-N 3.09Å; H289-V293 PolarHBondContact O-N 2.95Å
290W97.1Very high97.2Very high168 Ų16843.9 Ų43.964%0.63623%0.231SC*.Hα-helixtrans-60.7-34.5178.373.2-88.7000112.6V283 V293 L294V283-W290 HydrophobicContact CG2-CB 4.38Å; W290-V293 PolarHBondContact O-N 3.16Å; W290-L294 HydrophobicContact CZ3-CD2 4.09Å; W290-L294 PolarHBondContact O-N 3.37Å
291N97.3Very high97.1Very high82 Ų8241 Ų4144%0.43922%0.216SC..Hα-helixtrans-61.9-41.8173.2-75.3-34.4000112.5H289 V293 L294 A295H289-N291 PolarHBondContact O-N 2.8Å; N291-V293 VanDerWaalsContact C-N 3.29Å; N291-V293 PolarHBondContact O-N 3.41Å; N291-L294 PolarHBondContact O-N 3.09Å; N291-A295 WeakPolarHBondContact O-CB 3.23Å; N291-A295 PolarHBondContact O-N 3.02Å
292D97.7Very high97.1Very high4 Ų442.9 Ų42.92%0.02123%0.234CC..Hα-helixtrans-64.6-37.1179.5-50-25000111.2N187 S231 F232 S234 N288 H289 G296N187-D292 PolarHBondContact ND2-OD1 2.9Å; S231-D292 WeakPolarHBondContact CB-OD2 3.14Å; S231-D292 VanDerWaalsContact O-CB 3.3Å; S231-D292 WeakPolarHBondContact O-CB 3.42Å; S231-D292 PolarHBondContact OG-OD2 3.21Å; F232-D292 HydrophobicContact CD2-CB 4.3Å; F232-D292 WeakPolarHBondContact CD2-OD1 3.33Å; S234-D292 PolarHBondContact N-O 3.11Å; N288-D292 HydrophobicContact CB-CB 4.15Å; H289-D292 WeakPolarHBondContact CB-OD2 3.36Å; H289-D292 IonicContact CD2-OD2 3.03Å; H289-D292 PolarHBondContact CD2-OD2 3.32Å; H289-D292 IonicContact CG-OD2 2.78Å; H289-D292 PolarHBondContact N-OD2 3.27Å; H289-D292 WeakPolarHBondContact O-CB 3.25Å; H289-D292 PolarHBondContact O-N 2.68Å; H289-D292 VanDerWaalsContact O-N 3.09Å; D292-G296 PolarHBondContact O-N 3.45Å
293V98.3Very high97.1Very high9 Ų943.8 Ų43.86%0.05524%0.238CC..Hα-helixtrans-70.2-43.6176.3170.40000111.3A237 R282 V283 N288 H289 W290 N291 G296 F297A237-V293 HydrophobicContact CB-CB 4.39Å; A237-V293 HydrophobicContact CB-CG1 3.95Å; A237-V293 HydrophobicContact CB-CG2 4.49Å; R282-V293 HydrophobicContact CB-CG2 4.28Å; V283-V293 HydrophobicContact CG2-CB 4.33Å; V283-V293 HydrophobicContact CG2-CG2 3.82Å; N288-V293 HydrophobicContact CB-CG2 3.89Å; H289-V293 PolarHBondContact O-N 2.95Å; W290-V293 PolarHBondContact O-N 3.16Å; N291-V293 VanDerWaalsContact C-N 3.29Å; N291-V293 PolarHBondContact O-N 3.41Å; V293-G296 WeakPolarHBondContact O-CA 3.49Å; V293-G296 PolarHBondContact O-N 2.68Å; V293-F297 HydrophobicContact CG1-CD2 4.22Å; V293-F297 HydrophobicContact CG1-CE1 4.16Å; V293-F297 HydrophobicContact CG1-CE2 3.66Å; V293-F297 HydrophobicContact CG1-CZ 3.63Å; V293-F297 WeakPolarHBondContact O-CG 3.09Å; V293-F297 PolarHBondContact O-N 2.58Å
294L98.3Very high97.1Very high88 Ų8841.3 Ų41.346%0.46122%0.223SC..Hα-helixtrans-61.6-45.2174.8-179.960.4000111.6W290 N291 G296 F297 V298W290-L294 HydrophobicContact CZ3-CD2 4.09Å; W290-L294 PolarHBondContact O-N 3.37Å; N291-L294 PolarHBondContact O-N 3.09Å; L294-G296 VanDerWaalsContact C-N 3.28Å; L294-G296 PolarHBondContact O-N 3.07Å; L294-F297 PolarHBondContact O-N 3.47Å; L294-V298 HydrophobicContact CD1-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.43Å; L294-V298 PolarHBondContact O-N 3.27Å
295A98.3Very high96.9Very high22 Ų2239.4 Ų39.418%0.18222%0.216CC..Hα-helixtrans-60.8-38.217400000111.9F232 P233 N291 T299F232-A295 HydrophobicContact CD2-CB 4.31Å; F232-A295 HydrophobicContact CE2-CB 3.44Å; F232-A295 VanDerWaalsContact CE2-CB 3.44Å; F232-A295 HydrophobicContact CZ-CB 3.79Å; P233-A295 HydrophobicContact CB-CB 4.2Å; N291-A295 WeakPolarHBondContact O-CB 3.23Å; N291-A295 PolarHBondContact O-N 3.02Å; A295-T299 WeakPolarHBondContact O-CB 3.18Å; A295-T299 PolarHBondContact O-N 3.33Å; A295-T299 PolarHBondContact O-OG1 2.92Å
296G98.2Very high96.7Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-58.3-54.2171.400000112.2A238 D292 V293 L294 V298 T299 G300A238-G296 VanDerWaalsContact CA-O 3.22Å; A238-G296 WeakPolarHBondContact CA-O 3.33Å; A238-G296 WeakPolarHBondContact CB-O 3.41Å; D292-G296 PolarHBondContact O-N 3.45Å; V293-G296 WeakPolarHBondContact O-CA 3.49Å; V293-G296 PolarHBondContact O-N 2.68Å; L294-G296 VanDerWaalsContact C-N 3.28Å; L294-G296 PolarHBondContact O-N 3.07Å; G296-V298 PolarHBondContact O-N 2.93Å; G296-T299 PolarHBondContact O-N 3.08Å; G296-T299 VanDerWaalsContact O-N 3.17Å; G296-G300 PolarHBondContact O-N 2.84Å
297F98.5Very high96.5Very high32 Ų3241.3 Ų41.314%0.1422%0.223CC..Hα-helixtrans-57-45.6177.7-65.5-23.8000112.7A237 F241 V276 V293 L294 T299 G301A237-F297 HydrophobicContact CB-CD1 3.75Å; A237-F297 HydrophobicContact CB-CE1 3.63Å; A237-F297 HydrophobicContact CB-CZ 4.46Å; A237-F297 WeakPolarHBondContact O-CD1 3.45Å; F241-F297 HydrophobicContact CB-CB 4.4Å; F241-F297 HydrophobicContact CB-CD1 3.72Å; F241-F297 HydrophobicContact CB-CE1 4.47Å; F241-F297 HydrophobicContact CB-CG 4.42Å; F241-F297 HydrophobicContact CD1-CB 4.24Å; F241-F297 WeakPolarHBondContact CD1-O 3.33Å; F241-F297 HydrophobicContact CD2-CB 4.13Å; F241-F297 AromaticContact CD2-CD1 3.78Å; F241-F297 HydrophobicContact CD2-CD1 3.78Å; F241-F297 HydrophobicContact CD2-CE1 4.31Å; F241-F297 AromaticContact CD2-CG 3.97Å; F241-F297 HydrophobicContact CD2-CG 3.97Å; F241-F297 HydrophobicContact CE2-CB 4.46Å; F241-F297 HydrophobicContact CE2-CG 4.46Å; F241-F297 HydrophobicContact CG-CB 4.01Å; F241-F297 AromaticContact CG-CD1 3.93Å; F241-F297 HydrophobicContact CG-CD1 3.93Å; F241-F297 HydrophobicContact CG-CG 4.2Å; V276-F297 HydrophobicContact CG2-CE2 4.48Å; V276-F297 HydrophobicContact CG2-CZ 4.47Å; V293-F297 HydrophobicContact CG1-CD2 4.22Å; V293-F297 HydrophobicContact CG1-CE1 4.16Å; V293-F297 HydrophobicContact CG1-CE2 3.66Å; V293-F297 HydrophobicContact CG1-CZ 3.63Å; V293-F297 WeakPolarHBondContact O-CG 3.09Å; V293-F297 PolarHBondContact O-N 2.58Å; L294-F297 PolarHBondContact O-N 3.47Å; F297-T299 PolarHBondContact O-N 3.29Å; F297-G301 PolarHBondContact O-N 3.27Å
298V98.3Very high96Very high94 Ų9441 Ų4157%0.5722%0.222SC*.Hα-helixtrans-60.8-44.4176.6171.70000111L294 G296 A302L294-V298 HydrophobicContact CD1-CG2 4.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.43Å; L294-V298 PolarHBondContact O-N 3.27Å; G296-V298 PolarHBondContact O-N 2.93Å; V298-A302 WeakPolarHBondContact O-CB 3.07Å; V298-A302 PolarHBondContact O-N 3.26Å
299T97.9Very high95.3Very high41 Ų4143 Ų4325%0.25224%0.237SC..Hα-helixtrans-62.7-52.7179.3-56.90000111.6F177 A295 G296 F297 G301 A302 I303F177-T299 HydrophobicContact CB-CG2 4.25Å; A295-T299 WeakPolarHBondContact O-CB 3.18Å; A295-T299 PolarHBondContact O-N 3.33Å; A295-T299 PolarHBondContact O-OG1 2.92Å; G296-T299 PolarHBondContact O-N 3.08Å; G296-T299 VanDerWaalsContact O-N 3.17Å; F297-T299 PolarHBondContact O-N 3.29Å; T299-G301 PolarHBondContact O-N 2.99Å; T299-A302 PolarHBondContact O-N 3.47Å; T299-I303 HydrophobicContact CG2-CD1 3.97Å; T299-I303 WeakPolarHBondContact O-CG1 3.43Å; T299-I303 PolarHBondContact O-N 2.97Å
300G97.9Very high94.4Very high0 Ų043.6 Ų43.60%025%0.246CC..Hα-helixtrans-63.4-39.9179.400000112.9A238 G296 A304A238-G300 WeakPolarHBondContact O-CA 3.29Å; G296-G300 PolarHBondContact O-N 2.84Å; G300-A304 WeakPolarHBondContact O-CB 3.42Å; G300-A304 PolarHBondContact O-N 3.06Å
301G97.3Very high93.4Very high13 Ų1337.5 Ų37.513%0.13423%0.227CC..Hα-helixtrans-65.3-42.417600000112.9F297 T299 A304 A305F297-G301 PolarHBondContact O-N 3.27Å; T299-G301 PolarHBondContact O-N 2.99Å; G301-A304 PolarHBondContact O-N 3.19Å; G301-A305 VanDerWaalsContact O-CB 3.27Å; G301-A305 WeakPolarHBondContact O-CB 3.38Å; G301-A305 PolarHBondContact O-N 3.02Å
302A96.9Very high92Very high58 Ų5834.3 Ų34.348%0.47921%0.21SC..Hα-helixtrans-64.2-43.8176.500000112V298 T299 A305 F306V298-A302 WeakPolarHBondContact O-CB 3.07Å; V298-A302 PolarHBondContact O-N 3.26Å; T299-A302 PolarHBondContact O-N 3.47Å; A302-A305 PolarHBondContact O-N 3.05Å; A302-F306 VanDerWaalsContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CB 3.25Å; A302-F306 PolarHBondContact O-N 3.03Å
303I96.4Very high90.6Very high21 Ų2136.7 Ų36.711%0.10822%0.223CC..Hα-helixtrans-63.8-44.3176.7-65.9167.3000110.8T174 F177 Y242 T299 F306 L307T174-I303 HydrophobicContact CG2-CD1 4.37Å; T174-I303 WeakPolarHBondContact OG1-CD1 3.23Å; F177-I303 HydrophobicContact CB-CD1 4.39Å; F177-I303 HydrophobicContact CD2-CD1 3.69Å; F177-I303 HydrophobicContact CE2-CD1 4.38Å; F177-I303 HydrophobicContact CG-CD1 4.31Å; Y242-I303 HydrophobicContact CD2-CB 4.31Å; Y242-I303 HydrophobicContact CD2-CG2 4Å; Y242-I303 HydrophobicContact CE2-CG2 3.96Å; T299-I303 HydrophobicContact CG2-CD1 3.97Å; T299-I303 WeakPolarHBondContact O-CG1 3.43Å; T299-I303 PolarHBondContact O-N 2.97Å; I303-F306 PolarHBondContact O-N 2.96Å; I303-L307 HydrophobicContact CG2-CD1 3.93Å; I303-L307 HydrophobicContact CG2-CG 4.49Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 WeakPolarHBondContact O-CG 3.37Å; I303-L307 PolarHBondContact O-N 2.04Å
304A95.6Very high88.7Confident0 Ų042.3 Ų42.30%025%0.252CS..Hα-helixtrans-62.3-47.7176.300000111.9Y242 I245 G300 G301 F306 L307 V308Y242-A304 HydrophobicContact CD2-CB 3.66Å; Y242-A304 HydrophobicContact CE2-CB 3.95Å; I245-A304 HydrophobicContact CB-CB 3.82Å; I245-A304 HydrophobicContact CG2-CB 3.55Å; G300-A304 WeakPolarHBondContact O-CB 3.42Å; G300-A304 PolarHBondContact O-N 3.06Å; G301-A304 PolarHBondContact O-N 3.19Å; A304-F306 PolarHBondContact O-N 3.18Å; A304-L307 PolarHBondContact O-N 2.95Å; A304-V308 WeakPolarHBondContact O-CG2 3.22Å; A304-V308 PolarHBondContact O-N 2.95Å
305A91.9Very high86.5Confident41 Ų4143 Ų4334%0.33925%0.252SS..Hα-helixtrans-61.9-42.2178.100000112G301 A302 S309G301-A305 VanDerWaalsContact O-CB 3.27Å; G301-A305 WeakPolarHBondContact O-CB 3.38Å; G301-A305 PolarHBondContact O-N 3.02Å; A302-A305 PolarHBondContact O-N 3.05Å; A305-S309 WeakPolarHBondContact O-CB 3.45Å; A305-S309 PolarHBondContact O-N 3.24Å; A305-S309 PolarHBondContact O-OG 2.81Å
306F92.3Very high84.1Confident124 Ų12447 Ų4754%0.54427%0.265SS..Hα-helixtrans-60.9-50.6175.2174.1-102.5000111.4A302 I303 A304 S309 C310A302-F306 VanDerWaalsContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CB 3.25Å; A302-F306 PolarHBondContact O-N 3.03Å; I303-F306 PolarHBondContact O-N 2.96Å; A304-F306 PolarHBondContact O-N 3.18Å; F306-S309 PolarHBondContact O-N 3.2Å; F306-C310 HydrophobicContact CD2-CB 4.16Å; F306-C310 VanDerWaalsContact CD2-SG 3.59Å; F306-C310 HydrophobicContact CE2-CB 3.96Å; F306-C310 HydrophobicContact CZ-CB 4.33Å; F306-C310 WeakPolarHBondContact O-CA 3.08Å; F306-C310 WeakPolarHBondContact O-CB 3.28Å; F306-C310 PolarHBondContact O-N 3.17Å
307L90.8Very high81.3Confident4 Ų452.7 Ų52.72%0.02130%0.302CS..Iπ-helixtrans-67.2-43-177.7-68.8173.7000112.4V166 F169 Y242 I303 A304 V311 I312V166-L307 HydrophobicContact CG1-CB 4.23Å; F169-L307 HydrophobicContact CD1-CD1 4.22Å; F169-L307 HydrophobicContact CD1-CD2 3.88Å; F169-L307 HydrophobicContact CE1-CD2 3.97Å; Y242-L307 HydrophobicContact CE2-CD1 4.18Å; I303-L307 HydrophobicContact CG2-CD1 3.93Å; I303-L307 HydrophobicContact CG2-CG 4.49Å; I303-L307 WeakPolarHBondContact O-CB 3.4Å; I303-L307 WeakPolarHBondContact O-CG 3.37Å; I303-L307 PolarHBondContact O-N 2.04Å; A304-L307 PolarHBondContact O-N 2.95Å; L307-V311 HydrophobicContact CD2-CG2 3.83Å; L307-V311 WeakPolarHBondContact O-CA 3.47Å; L307-V311 WeakPolarHBondContact O-CB 3.45Å; L307-V311 PolarHBondContact O-N 3.39Å; L307-I312 PolarHBondContact O-N 2.65Å; L307-I312 VanDerWaalsContact O-N 3.14Å
308V84.5Confident78.3Confident3 Ų357.3 Ų57.32%0.01833%0.333CS..Iπ-helixtrans-70.6-36.2179-176.10000111.5Y246 M249 L253 A304 I312 N313Y246-V308 HydrophobicContact CD2-CG2 3.59Å; Y246-V308 HydrophobicContact CE2-CG2 3.85Å; Y246-V308 HydrophobicContact CG-CG2 4.44Å; M249-V308 HydrophobicContact CB-CG1 4.03Å; M249-V308 HydrophobicContact CB-CG2 4.27Å; M249-V308 HydrophobicContact CE-CB 3.67Å; M249-V308 HydrophobicContact CE-CG1 3.48Å; M249-V308 VanDerWaalsContact CE-CG1 3.48Å; M249-V308 HydrophobicContact CE-CG2 4.43Å; M249-V308 HydrophobicContact SD-CB 3.66Å; M249-V308 HydrophobicContact SD-CG1 3.87Å; M249-V308 HydrophobicContact SD-CG2 3.76Å; L253-V308 HydrophobicContact CD1-CG1 4.48Å; A304-V308 WeakPolarHBondContact O-CG2 3.22Å; A304-V308 PolarHBondContact O-N 2.95Å; V308-I312 HydrophobicContact CB-CD1 4.46Å; V308-I312 HydrophobicContact CG1-CB 4.34Å; V308-I312 HydrophobicContact CG1-CD1 4.33Å; V308-I312 HydrophobicContact CG2-CD1 4.18Å; V308-I312 WeakPolarHBondContact O-CB 3.49Å; V308-I312 PolarHBondContact O-N 3.4Å; V308-N313 PolarHBondContact O-N 3.3Å; V308-N313 VanDerWaalsContact O-N 3.12Å; V308-N313 PolarHBondContact O-ND2 3.02Å
309S81.5Confident75.4Confident54 Ų5462.2 Ų62.238%0.37835%0.346SS..Iπ-helixtrans-78.8-47-179.3-52.90000112.8A305 F306 N313A305-S309 WeakPolarHBondContact O-CB 3.45Å; A305-S309 PolarHBondContact O-N 3.24Å; A305-S309 PolarHBondContact O-OG 2.81Å; F306-S309 PolarHBondContact O-N 3.2Å; S309-N313 WeakPolarHBondContact O-CB 3.08Å
310C78.4Confident72.6Confident57 Ų5767.8 Ų67.839%0.38537%0.374SS..Iπ-helixtrans-87.9-33.2-174.6-570000112.9F306 N314F306-C310 HydrophobicContact CD2-CB 4.16Å; F306-C310 VanDerWaalsContact CD2-SG 3.59Å; F306-C310 HydrophobicContact CE2-CB 3.96Å; F306-C310 HydrophobicContact CZ-CB 4.33Å; F306-C310 WeakPolarHBondContact O-CA 3.08Å; F306-C310 WeakPolarHBondContact O-CB 3.28Å; F306-C310 PolarHBondContact O-N 3.17Å; C310-N314 WeakPolarHBondContact O-CB 3.42Å; C310-N314 PolarHBondContact O-ND2 3.17Å
311V74.9Confident69.8Low40 Ų4072.1 Ų72.124%0.24241%0.41CS..Iπ-helixtrans-90.5-62176.3-168.40000109.8V166 L307 N313 F315V166-V311 HydrophobicContact CG1-CG1 4.47Å; V166-V311 HydrophobicContact CG2-CG1 3.99Å; L307-V311 HydrophobicContact CD2-CG2 3.83Å; L307-V311 WeakPolarHBondContact O-CA 3.47Å; L307-V311 WeakPolarHBondContact O-CB 3.45Å; L307-V311 PolarHBondContact O-N 3.39Å; V311-N313 PolarHBondContact O-N 3.32Å; V311-F315 HydrophobicContact CG1-CD2 4.32Å; V311-F315 HydrophobicContact CG1-CE2 3.87Å; V311-F315 WeakPolarHBondContact O-CD2 3.49Å
312I68.8Low67.1Low16 Ų1677.7 Ų77.78%0.08244%0.441CS..Iπ-helixtrans-69.5-39.9-168.3-65.9169.1000113.2F163 V166 Y246 L253 L307 V308F163-I312 HydrophobicContact CD1-CD1 4.01Å; F163-I312 HydrophobicContact CE1-CD1 3.97Å; F163-I312 HydrophobicContact CE1-CG1 4.37Å; F163-I312 HydrophobicContact CE1-CG2 4.01Å; V166-I312 HydrophobicContact CG1-CD1 4.32Å; V166-I312 HydrophobicContact CG1-CG1 4.42Å; Y246-I312 HydrophobicContact CE2-CD1 3.91Å; L253-I312 HydrophobicContact CD1-CG2 4.43Å; L307-I312 PolarHBondContact O-N 2.65Å; L307-I312 VanDerWaalsContact O-N 3.14Å; V308-I312 HydrophobicContact CB-CD1 4.46Å; V308-I312 HydrophobicContact CG1-CB 4.34Å; V308-I312 HydrophobicContact CG1-CD1 4.33Å; V308-I312 HydrophobicContact CG2-CD1 4.18Å; V308-I312 WeakPolarHBondContact O-CB 3.49Å; V308-I312 PolarHBondContact O-N 3.4Å
313N67.1Low64.5Low54 Ų5480.4 Ų80.429%0.28945%0.454SS..THydrogen-bonded Turntrans-77.4-33.5-178.3-72.9-45.4000114.6V308 S309 V311 F315 K316V308-N313 PolarHBondContact O-N 3.3Å; V308-N313 VanDerWaalsContact O-N 3.12Å; V308-N313 PolarHBondContact O-ND2 3.02Å; S309-N313 WeakPolarHBondContact O-CB 3.08Å; V311-N313 PolarHBondContact O-N 3.32Å; N313-F315 PolarHBondContact O-N 3.2Å; N313-K316 WeakPolarHBondContact O-CB 3.45Å; N313-K316 PolarHBondContact O-N 3.48Å; N313-K316 PolarHBondContact OD1-NZ 2.97Å
314N60Low62.1Low126 Ų12685.6 Ų85.667%0.67449%0.487SS*.THydrogen-bonded Turntrans-66.5-21.8178.9-80.9-47.3000113.6C310 K316C310-N314 WeakPolarHBondContact O-CB 3.42Å; C310-N314 PolarHBondContact O-ND2 3.17Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 3.24Å
315F51Low60Low103 Ų10390.8 Ų90.845%0.45252%0.52SS..THydrogen-bonded Turntrans-82.67.7172.5-73.7-61.2000114.4F57 R162 V311 N313 P317F57-F315 HydrophobicContact CZ-CZ 4.22Å; R162-F315 VanDerWaalsContact NH2-CD2 3.28Å; V311-F315 HydrophobicContact CG1-CD2 4.32Å; V311-F315 HydrophobicContact CG1-CE2 3.87Å; V311-F315 WeakPolarHBondContact O-CD2 3.49Å; N313-F315 PolarHBondContact O-N 3.2Å; F315-P317 WeakPolarHBondContact O-CD 3.49Å
316K48.6Very low58.2Low107 Ų10794.3 Ų94.347%0.46554%0.54SS..SBendtrans-75.8117.1160.2-70.9167.9-179.11600106N313 N314 T318N313-K316 WeakPolarHBondContact O-CB 3.45Å; N313-K316 PolarHBondContact O-N 3.48Å; N313-K316 PolarHBondContact OD1-NZ 2.97Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 3.24Å; K316-T318 PolarHBondContact O-N 3.44Å
317P39.6Very low56.2Low119 Ų11993.9 Ų93.977%0.77355%0.549SS*.  trans-56.1122.6176.923.2-32.3000107.9F315 K319F315-P317 WeakPolarHBondContact O-CD 3.49Å; P317-K319 PolarHBondContact O-N 3.31Å
318T35.3Very low54.5Low128 Ų12899 Ų9979%0.78558%0.583SS**  trans-47.4115.9171.4-54.90000106.6K316 L320K316-T318 PolarHBondContact O-N 3.44Å; T318-L320 PolarHBondContact O-N 2.87Å
319K36Very low52.6Low197 Ų197104.9 Ų104.986%0.85762%0.621SS**  trans-57.2112.4173.2-72-170.6175.7-170.40105.4P317 A321P317-K319 PolarHBondContact O-N 3.31Å; K319-A321 PolarHBondContact O-N 3.17Å; K319-A321 VanDerWaalsContact O-N 3.16Å
320L39.8Very low50.8Low159 Ų159111.9 Ų111.983%0.83265%0.648SS**  trans-50.3129.5172.3-99.485.1000106.6T318 V322T318-L320 PolarHBondContact O-N 2.87Å; L320-V322 PolarHBondContact O-N 3.09Å
321A39.8Very low49Very low91 Ų91120.2 Ų120.275%0.75267%0.671SS**  trans-54.3115.8171.300000106.8K319 P323K319-A321 PolarHBondContact O-N 3.17Å; K319-A321 VanDerWaalsContact O-N 3.16Å; A321-P323 WeakPolarHBondContact O-CD 3.46Å
322V39.5Very low47.2Very low129 Ų129124.5 Ų124.578%0.78270%0.7SS**PPolyproline II helixtrans-57.5122.4172.1174.20000105.6L320 T324L320-V322 PolarHBondContact O-N 3.09Å; V322-T324 PolarHBondContact O-N 3.35Å; V322-T324 VanDerWaalsContact O-N 3.09Å
323P42.5Very low45.6Very low116 Ų116132.9 Ų132.975%0.75374%0.739SS**PPolyproline II helixtrans-56.4121.8175.4-23.634000108.3A321A321-P323 WeakPolarHBondContact O-CD 3.46Å
324T45.6Very low43.9Very low130 Ų130134.8 Ų134.880%0.79876%0.762SS**PPolyproline II helixtrans-54.4129.6174.4-1.20000108.1V322V322-T324 PolarHBondContact O-N 3.35Å; V322-T324 VanDerWaalsContact O-N 3.09Å
325P52.3Low43Very low108 Ų108134.9 Ų134.970%0.70177%0.769SS**PPolyproline II helixtrans-59.9143.3175.125.5-33.2000109.2
326P53Low42.6Very low116 Ų116137.5 Ų137.575%0.75379%0.786SS**PPolyproline II helixtrans-61.5148.3-178.426-34.4000110.7
327P51.8Low41.8Very low114 Ų114138 Ų13874%0.7480%0.803SS**PPolyproline II helixtrans-61.5143.3179.726.4-34.2000110.8
328P54.3Low41.6Very low113 Ų113139.7 Ų139.773%0.73481%0.805SS**PPolyproline II helixtrans-64.1147.7178.827.1-34.2000111.1Q330P328-Q330 PolarHBondContact O-N 3.24Å
329P45.4Very low42.1Very low126 Ų126138.6 Ų138.682%0.81880%0.8SS**PPolyproline II helixtrans-65.1130.7-176.826.1-34.1000111.5R331P329-R331 PolarHBondContact O-N 3.16Å
330Q43.6Very low42Very low200 Ų200136.8 Ų136.894%0.93580%0.799SS**PPolyproline II helixtrans-62.8128.9172.8-70.2176.5-22.400110P328P328-Q330 PolarHBondContact O-N 3.24Å
331R39.8Very low41.7Very low233 Ų233136 Ų13688%0.87979%0.794SS**PPolyproline II helixtrans-103.7137.7172.3-168.2-175.3-85.9-167.3-4.2108.3P329P329-R331 PolarHBondContact O-N 3.16Å
332P38.2Very low41.4Very low129 Ų129136.1 Ų136.184%0.83879%0.79SS**PPolyproline II helixtrans-63.5145.7-174.3-23.534.4000114.2
333E34.3Very low41.1Very low193 Ų193137.8 Ų137.890%0.90279%0.793SS**PPolyproline II helixtrans-85.2150.9175.3-65.6-168.6132.100113.5
334A31.9Very low40.9Very low94 Ų94137.6 Ų137.678%0.77779%0.792SS**  trans151.7156.6139.100000111.4
335P40Very low40.2Very low128 Ų128142.7 Ų142.783%0.83180%0.796SS**  cis-128.9-171.2-33.335.9-18.4000112.7
336I43.3Very low39.3Very low157 Ų157143.6 Ų143.681%0.80580%0.8SS**  trans-79.1138.5-167.5-63.3153.7000114.5L338I336-L338 HydrophobicContact CG2-CD1 4.5Å
337S31.2Very low38.4Very low118 Ų118147.2 Ų147.283%0.82581%0.807SS**  trans-156.7135.8148.359.50000113.1
338L35.2Very low37.5Very low154 Ų154146.9 Ų146.981%0.80681%0.807SS**  trans-89.6-167.6-173.2-72.1129.3000113I336I336-L338 HydrophobicContact CG2-CD1 4.5Å
339P47.2Very low36.6Very low105 Ų105147.6 Ų147.668%0.68281%0.812SS**  -135.9170.1-60.538.8-24.2000113.9
340L33.1Very low36.1Very low160 Ų160149.6 Ų149.684%0.83882%0.815SS**  trans-159.9111.7151.6-141.972000115.1
341I34.7Very low35.9Very low141 Ų141149.2 Ų149.272%0.72381%0.813SS**  trans43.995.8135.8-61.9173.6000117
342S32.6Very low35.7Very low95 Ų95148.2 Ų148.266%0.66482%0.815SS**  67.6134.792.272.70000115.6
343L33.1Very low35.6Very low164 Ų164150.3 Ų150.386%0.85982%0.818SS**  -149.4178.260.2-11395.9000113.5
344P38.5Very low35.7Very low111 Ų111146.9 Ų146.972%0.72182%0.815SS**  trans-110170.8-150.742.5-37.9000116.6
345R31.7Very low35.8Very low237 Ų237145 Ų14589%0.89481%0.805SS**  trans-156.7103.4152.6-152.1171.7-179.2107.8-2116
346V32.2Very low35.4Very low128 Ų128148.5 Ų148.578%0.77681%0.808SS**  trans49.4108.7144.8-170.80000119.4
347E33.9Very low34.7Very low192 Ų192149.3 Ų149.390%0.89781%0.808SS**  trans-102.5139.7153.7-77.4160.8142.300110.2
348S33.7Very low34.6Very low106 Ų106147.8 Ų147.874%0.74180%0.803SS**  trans-99.8128.3-178.454.20000112L350S348-L350 PolarHBondContact O-N 2.65Å
349P34.9Very low34.6Very low129 Ų129146.8 Ų146.884%0.83881%0.805SS**  trans-86.693.3-173.133.4-34.7000112.7
350L35.4Very low33.6Very low167 Ų167145.4 Ų145.487%0.87481%0.811SS**  trans-139.622.7171.9-147.892.4000115.6S348S348-L350 PolarHBondContact O-N 2.65Å
351E38.3Very low33.4Very low192 Ų192146 Ų14690%0.89781%0.814SS**SBendtrans-111.28.2175.7-70.8-167.2120.100114.3
352K36.7Very low33.7Very low212 Ų212144.2 Ų144.292%0.92281%0.811SS**SBendtrans-108.917.6-172.9-92.5-172.5176179.70116.4
353L35.3Very low33.4Very low173 Ų173150 Ų15091%0.90682%0.82SS**SBendtrans-133.720.1-169-104.9156.2000116.2
354S36.6Very low33.3Very low121 Ų121147 Ų14785%0.84681%0.812SS**SBendtrans-122.426.5178.452.20000114.3
355G35Very low32.7Very low55 Ų55149.4 Ų149.457%0.56781%0.814SS**SBendtrans-128.1137.2167.300000110.4
356F30.6Very low32.6Very low201 Ų201144.6 Ų144.688%0.88281%0.805SS**  trans68.8137.6-168.9-55.4-92.6000112.6
357Q28.9Very low32.6Very low175 Ų175148.2 Ų148.282%0.81883%0.827SS**  cis-159.3161.814.6-161.3154.9-3500112
358A30Very low32.6Very low85 Ų85146 Ų14670%0.70282%0.824SS**  trans-128.6163.8155.300000107.3
359P34.2Very low32.5Very low133 Ų133148.1 Ų148.186%0.86483%0.828SS**  cis-135.8-174.112.942.6-25000115.1
360G27.1Very low32.4Very low77 Ų77149.2 Ų149.279%0.79483%0.828SS**  trans128.6125.9151.800000119.1
361L27.9Very low32.2Very low173 Ų173148.1 Ų148.191%0.90683%0.825SS**  trans-70.2-179.8167.9-79150.9000113.3
362P40.3Very low31.8Very low103 Ų103145.4 Ų145.467%0.66982%0.821SS**  cis-136.4-169.1-22.525.9-1.1000114.9
363Y28Very low31.5Very low215 Ų215140.9 Ų140.984%0.84381%0.814SS**  trans98.3138.3150.4-104-88.1000122.9
364S29.4Very low31.2Very low101 Ų101138.6 Ų138.671%0.70681%0.807SS**  trans60.1149.8155.844.10000120.1
365E27Very low30.8Very low163 Ų163140 Ų14076%0.76280%0.804SS**  cis-171.6163.4-25.1-148.8-167.2142.600107.1
366I30.1Very low30.4Very low135 Ų135147.1 Ų147.169%0.69282%0.824SS**  trans61.6115.8162.6-51.9155.9000115.3
367T31.9Very low30.4Very low204 Ų204142.2 Ų142.2100%1.25282%0.819SS**  -154.5059.8-41.10000111

Retrieved 367 of 367 residues in 725.1 ms (Link to these results)