A0A060W6Q7_ONCMY Loading...

E3 ubiquitin-protein ligase RNF185

AlphaFold DB , UniProt , Accession A0A060W6Q7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rnf185, Length 192 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
1M43Very low47.3Very low241 Ų241119.1 Ų119.1100%1.18784%0.841SS**  0146.1011.3-176.3175.200107.6
2A41.8Very low46.6Very low108 Ų108118.5 Ų118.589%0.89384%0.836SS**  trans72.7143.9-164.100000115.1
3S47.7Very low45.9Very low129 Ų129119.7 Ų119.790%0.90284%0.835SS**  trans-118.7173.7-153.9-580000114.3
4A44.5Very low45.7Very low105 Ų105117.9 Ų117.987%0.86883%0.831SS**  trans-74.6175.3-178.600000115.3
5A47.1Very low45.2Very low95 Ų95119.8 Ų119.879%0.78584%0.836SS**  trans-90.6173.5-167.700000115.2
6P65.4Low44.5Very low118 Ų118122.3 Ų122.377%0.76683%0.83SS**  trans-104.4-155.1-170.945-37000112.2
7P62.3Low44.4Very low115 Ų115123.3 Ų123.375%0.74783%0.825SS**  cis-125.3-128.1-14.739-16.7000110.8
8P54.5Low44.5Very low108 Ų108122.5 Ų122.570%0.70182%0.819SS**  cis-134.2156.9-37.536.7-18.5000118.2
9A37.1Very low44.8Very low101 Ų101124 Ų12484%0.83582%0.816SS**  trans59.2156.7138.500000126.4
10A38.8Very low45.1Very low105 Ų105124.3 Ų124.387%0.86882%0.817SS**  trans78.5146.7163.600000119.5
11A38.3Very low45Very low85 Ų85121.8 Ų121.870%0.70281%0.814SS**  cis-168.6162.1-16.300000112.2
12S39.3Very low44.8Very low112 Ų112116.5 Ų116.578%0.78380%0.801SS**  trans62.6157.6156.9-51.90000118.7
13T37.3Very low44.9Very low134 Ų134116 Ų11682%0.82279%0.791SS**  cis-155.1160.19-18.50000109.8
14A43.2Very low44.4Very low94 Ų94114.7 Ų114.778%0.77778%0.782SS**  trans-108.7139.5169.100000111.3
15T38.3Very low44.1Very low147 Ų147114.5 Ų114.590%0.90277%0.774SS**  trans-149.2153167.3-47.40000110.8
16E33.4Very low43.5Very low160 Ų160116 Ų11675%0.74877%0.773SS**  trans-120.7133.1-162174.9-168.7131.100112
17N42.3Very low42.6Very low139 Ų139115.6 Ų115.674%0.74378%0.781SS**  trans53.1176.8157.9-64.9-31.1000119.2
18P47.2Very low41.5Very low109 Ų109113.4 Ų113.471%0.70878%0.779SS**  cis-125.5171.4-1632.3-12.8000115.9
19I49.3Very low40.9Very low151 Ų151117.5 Ų117.577%0.77479%0.789SS**  trans2.6137.6147.2-54.3165.7000119
20P50.5Low41Very low129 Ų129115.8 Ų115.884%0.83878%0.781SS**  trans-115126.8133.234.7-27.5000111.4
21G42.9Very low41.2Very low73 Ų73113.8 Ų113.875%0.75377%0.77SS**  trans-86.3153.2172.900000111.6
22S40.3Very low41.6Very low129 Ų129115.3 Ų115.390%0.90277%0.767SS**  trans-125.1150.7156.1-168.40000109.1
23S42.8Very low42.1Very low99 Ų99118.7 Ų118.769%0.69277%0.77SS**  trans-102.3172.9-151.653.90000114.7
24S37.2Very low42.9Very low100 Ų100117.5 Ų117.570%0.69976%0.758SS**  trans85.2115.6140.768.50000119.5
25S38.1Very low43.6Very low102 Ų102117.6 Ų117.671%0.71375%0.753SS**  99.9109.4127.6-61.40000120.3
26T34.5Very low45.2Very low125 Ų125114.3 Ų114.377%0.76773%0.733SS**  trans61113.3133.853.90000119.8G28T26-G28 PolarHBondContact O-N 2.93Å
27A46.4Very low47.4Very low111 Ų111110.5 Ų110.592%0.91772%0.715SS**  36.274.2119.700000115.5
28G38.7Very low49.5Very low69 Ų69109.1 Ų109.171%0.71170%0.703SS**  trans-121.149.1167.300000110.7T26 G30T26-G28 PolarHBondContact O-N 2.93Å; G28-G30 PolarHBondContact O-N 3.37Å
29E43.4Very low51.5Low194 Ų194103.9 Ų103.991%0.90767%0.67SS**  trans-71.243.8164.9-157.984.1100.100110G31E29-G31 PolarHBondContact O-N 3.16Å
30G39Very low53.5Low65 Ų65100.4 Ų100.467%0.6765%0.653SS**  trans-76.880.5164.200000106.1G28 N32G28-G30 PolarHBondContact O-N 3.37Å; G30-N32 PolarHBondContact O-N 3.3Å
31G42Very low55.3Low62 Ų6297.4 Ų97.464%0.63963%0.629SS**  trans-64.568169.600000110.3E29 Q33E29-G31 PolarHBondContact O-N 3.16Å; G31-Q33 PolarHBondContact O-N 2.95Å
32N46.5Very low57.5Low118 Ų11896.8 Ų96.863%0.63161%0.612SS**  trans-66.588.7157.4-158.832.1000104.9G30 D34G30-N32 PolarHBondContact O-N 3.3Å; N32-D34 PolarHBondContact ND2-OD1 3.43Å; N32-D34 PolarHBondContact ND2-OD2 2.68Å; N32-D34 PolarHBondContact O-N 3.21Å
33Q50.4Low59.8Low183 Ų18396.7 Ų96.786%0.85560%0.601SS**  trans-6666.3156.4-66.8176.265.900106.5G31 S35G31-Q33 PolarHBondContact O-N 2.95Å; Q33-S35 VanDerWaalsContact C-N 3.27Å; Q33-S35 PolarHBondContact O-N 3.5Å
34D53.5Low61.9Low108 Ų10895.8 Ų95.858%0.57859%0.588SS**  trans-50.3107.2155.1-80.6-46.7000103.7N32 T36N32-D34 PolarHBondContact ND2-OD1 3.43Å; N32-D34 PolarHBondContact ND2-OD2 2.68Å; N32-D34 PolarHBondContact O-N 3.21Å; D34-T36 HydrophobicContact CB-CG2 4.42Å; D34-T36 PolarHBondContact O-N 3.01Å
35S59.2Low64.2Low96 Ų9693.1 Ų93.167%0.67157%0.568SS**  trans-73.171.1-178.645.60000107.7Q33 F37Q33-S35 VanDerWaalsContact C-N 3.27Å; Q33-S35 PolarHBondContact O-N 3.5Å; S35-F37 PolarHBondContact O-N 2.99Å; S35-F37 VanDerWaalsContact O-N 3.07Å
36T71.7Confident66.2Low79 Ų7988.6 Ų88.649%0.48554%0.536SS..  trans-57.7115.5177.244.60000106.6D34 E38D34-T36 HydrophobicContact CB-CG2 4.42Å; D34-T36 PolarHBondContact O-N 3.01Å; T36-E38 PolarHBondContact O-N 2.85Å
37F79.6Confident68.4Low80 Ų8089.3 Ų89.335%0.35153%0.529SS..  trans-64.9105.7-176.2-65.6-71.3000108.5S35 S46 L57 L91S35-F37 PolarHBondContact O-N 2.99Å; S35-F37 VanDerWaalsContact O-N 3.07Å; F37-S46 VanDerWaalsContact CB-OG 3.25Å; F37-S46 WeakPolarHBondContact CB-OG 3.36Å; F37-S46 WeakPolarHBondContact O-CB 3.37Å; F37-S46 PolarHBondContact O-N 3.05Å; F37-S46 PolarHBondContact O-OG 3.16Å; F37-L57 HydrophobicContact CB-CD1 3.8Å; F37-L57 HydrophobicContact CB-CD2 4Å; F37-L57 HydrophobicContact CD1-CD1 3.61Å; F37-L57 HydrophobicContact CG-CD1 3.98Å; F37-L91 HydrophobicContact CE1-CD1 4.39Å
38E87Confident70.1Confident109 Ų10987.1 Ų87.151%0.50950%0.502SS..BIsolated β-bridgetrans-86.4136.5-178.8-164.2-167.9141.500111.3T36 L43 L57T36-E38 PolarHBondContact O-N 2.85Å; E38-L43 WeakPolarHBondContact OE1-CA 3.37Å; E38-L57 WeakPolarHBondContact O-CD2 3.41Å
39C89.5Confident72.4Confident0 Ų084.3 Ų84.30%047%0.471CS..  trans-84.4121.7175.6169.60000112.1I41 C42 L43 D44 F58 C59C39-I41 PolarHBondContact O-N 2.85Å; C39-I41 PolarHBondContact SG-N 3.34Å; C39-I41 VanDerWaalsContact SG-N 3.4Å; C39-C42 VanDerWaalsContact CB-SG 3.56Å; C39-C42 PolarHBondContact O-N 2.8Å; C39-L43 WeakPolarHBondContact O-CA 3.41Å; C39-L43 PolarHBondContact O-N 3.28Å; C39-D44 PolarHBondContact N-O 3.19Å; C39-F58 VanDerWaalsContact SG-CA 3.59Å; C39-C59 HydrophobicContact CB-CB 4.43Å; C39-C59 WeakPolarHBondContact CB-SG 3.46Å; C39-C59 PolarHBondContact SG-N 3.38Å
40N89.3Confident74.6Confident78 Ų7875.1 Ų75.142%0.41743%0.429SS..THydrogen-bonded Turntrans-66.816.6177.2-68.2-96.4000115.5L57 F58 V78N40-L57 PolarHBondContact N-O 2.97Å; N40-L57 PolarHBondContact ND2-O 3.29Å; N40-F58 HydrophobicContact CB-CD1 3.97Å; N40-F58 HydrophobicContact CB-CE1 3.6Å; N40-F58 HydrophobicContact CB-CZ 4.48Å; N40-V78 HydrophobicContact CB-CG2 3.87Å
41I89.1Confident77Confident66 Ų6674.1 Ų74.134%0.33841%0.407SS..THydrogen-bonded Turntrans-125.2-45.5175.3-65.2161.6000110.8C39 F58 C62 P77C39-I41 PolarHBondContact O-N 2.85Å; C39-I41 PolarHBondContact SG-N 3.34Å; C39-I41 VanDerWaalsContact SG-N 3.4Å; I41-F58 HydrophobicContact CD1-CB 4.3Å; I41-F58 HydrophobicContact CD1-CD1 3.45Å; I41-F58 VanDerWaalsContact CD1-CD1 3.45Å; I41-F58 HydrophobicContact CD1-CE1 4.03Å; I41-F58 HydrophobicContact CD1-CG 4.08Å; I41-F58 HydrophobicContact CG1-CD1 3.61Å; I41-F58 HydrophobicContact CG1-CE1 3.95Å; I41-C62 HydrophobicContact CB-CB 3.95Å; I41-C62 HydrophobicContact CD1-CB 3.8Å; I41-C62 HydrophobicContact CG2-CB 3.89Å; I41-P77 HydrophobicContact CD1-CG 4.07Å; I41-P77 HydrophobicContact CG1-CG 4.19Å
42C89.1Confident79.4Confident60 Ų6071.2 Ų71.241%0.40538%0.377SS..THydrogen-bonded Turntrans-101.2-7.5179.866.80000114.6C39 D44C39-C42 VanDerWaalsContact CB-SG 3.56Å; C39-C42 PolarHBondContact O-N 2.8Å; C42-D44 PolarHBondContact O-N 3.4Å
43L88.9Confident81.4Confident126 Ų12671.1 Ų71.166%0.6638%0.376SS*.  trans53.240.3178.7-50.3179.8000112.9E38 C39E38-L43 WeakPolarHBondContact OE1-CA 3.37Å; C39-L43 WeakPolarHBondContact O-CA 3.41Å; C39-L43 PolarHBondContact O-N 3.28Å
44D87.2Confident83.4Confident81 Ų8164.4 Ų64.443%0.43335%0.349SS..SBendtrans-140.8166.4-178.1-174.219000109.1C39 C42 S46C39-D44 PolarHBondContact N-O 3.19Å; C42-D44 PolarHBondContact O-N 3.4Å; D44-S46 PolarHBondContact O-N 3.07Å
45T85.1Confident85.1Confident43 Ų4361.8 Ų61.826%0.26435%0.347SS..BIsolated β-bridgetrans-52.8120.1178.3-550000110.5K47T45-K47 PolarHBondContact O-N 2.49Å
46S80.3Confident86.7Confident7 Ų759.4 Ų59.45%0.04933%0.325CS..PPolyproline II helixtrans-70.6121.5-169.7570000113.1F37 D44 A49 L57 C59F37-S46 VanDerWaalsContact CB-OG 3.25Å; F37-S46 WeakPolarHBondContact CB-OG 3.36Å; F37-S46 WeakPolarHBondContact O-CB 3.37Å; F37-S46 PolarHBondContact O-N 3.05Å; F37-S46 PolarHBondContact O-OG 3.16Å; D44-S46 PolarHBondContact O-N 3.07Å; S46-A49 WeakPolarHBondContact OG-CB 3.03Å; S46-L57 WeakPolarHBondContact OG-CD2 3.23Å; S46-C59 VanDerWaalsContact CA-SG 3.57Å
47K80Confident87.6Confident140 Ų14056.4 Ų56.461%0.60931%0.307SS*.SBendtrans-96.9127.7173-62.9167.9-164.9166.50107.7T45 C59T45-K47 PolarHBondContact O-N 2.49Å; K47-C59 PolarHBondContact N-SG 3.17Å; K47-C59 VanDerWaalsContact N-SG 3.45Å; K47-C59 WeakPolarHBondContact O-CA 3.41Å; K47-C59 WeakPolarHBondContact O-CB 3.4Å
48D81.9Confident88.2Confident66 Ų6652.6 Ų52.635%0.35329%0.29SS..SBendtrans48.264.1-166.3-82.3-72.4000112V50 W60 R109D48-V50 PolarHBondContact O-N 3.25Å; D48-W60 HydrophobicContact CB-CB 3.74Å; D48-W60 WeakPolarHBondContact O-CB 3.42Å; D48-W60 PolarHBondContact O-N 3.5Å; D48-R109 IonicContact OD1-CZ 3.93Å; D48-R109 IonicContact OD1-NH1 3.25Å; D48-R109 PolarHBondContact OD1-NH1 3.13Å; D48-R109 IonicContact OD1-NH2 2.49Å; D48-R109 PolarHBondContact OD1-NH2 2.84Å
49A87.2Confident88.3Confident9 Ų947.8 Ų47.87%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-55125.8179.700000111.3S46 L57 L91S46-A49 WeakPolarHBondContact OG-CB 3.03Å; A49-L57 HydrophobicContact CB-CD2 4.43Å; A49-L91 HydrophobicContact CB-CB 4.09Å; A49-L91 PolarHBondContact O-N 3.33Å
50V89.4Confident88.3Confident2 Ų250.1 Ų50.11%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-125.4134.1173.3-690000110D48 F58 W60 L63 P90D48-V50 PolarHBondContact O-N 3.25Å; V50-F58 HydrophobicContact CG2-CB 4.34Å; V50-F58 WeakPolarHBondContact CG2-O 3.2Å; V50-F58 PolarHBondContact N-O 2.89Å; V50-F58 PolarHBondContact O-N 3.48Å; V50-W60 HydrophobicContact CG1-CB 4.17Å; V50-W60 HydrophobicContact CG1-CE3 4Å; V50-W60 HydrophobicContact CG2-CE3 4.4Å; V50-L63 HydrophobicContact CG2-CB 4.32Å; V50-L63 HydrophobicContact CG2-CD2 3.77Å; V50-P90 HydrophobicContact CG1-CB 4.45Å
51I90.9Very high88.4Confident43 Ų4349.8 Ų49.822%0.22128%0.279CS..EExtended strand (participates in β ladder)trans-101.3132.7172.3-77.1-170.7000109.5L57 I89 L91I51-L57 HydrophobicContact CD1-CD1 4.24Å; I51-L57 HydrophobicContact CG1-CB 4.12Å; I51-L57 HydrophobicContact CG1-CD1 4.06Å; I51-L57 HydrophobicContact CG1-CG 4.16Å; I51-I89 PolarHBondContact N-O 2.54Å; I51-I89 PolarHBondContact O-N 3.17Å; I51-L91 HydrophobicContact CD1-CD1 3.44Å; I51-L91 VanDerWaalsContact CD1-CD1 3.44Å; I51-L91 HydrophobicContact CD1-CD2 4.42Å; I51-L91 HydrophobicContact CD1-CG 3.97Å; I51-L91 HydrophobicContact CG1-CD1 3.86Å; I51-L91 HydrophobicContact CG1-CG 4.07Å
52S91.2Very high88.5Confident1 Ų148.2 Ų48.21%0.00727%0.273CS..  trans-76.7154.3167.357.90000111C54 G55 H56 I83S52-C54 PolarHBondContact O-N 3.48Å; S52-C54 PolarHBondContact OG-SG 3.47Å; S52-G55 PolarHBondContact O-N 3.28Å; S52-H56 PolarHBondContact N-O 2.84Å; S52-H56 PolarHBondContact OG-N 3.04Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.01Å; S52-I83 VanDerWaalsContact CB-CD1 3.42Å
53L89.5Confident88.6Confident117 Ų11745.3 Ų45.361%0.61325%0.254SS*.THydrogen-bonded Turntrans-55.3-21.9176.7-64.1-178.1000114.1G55 K87 I89L53-G55 VanDerWaalsContact C-N 3.31Å; L53-K87 HydrophobicContact CD1-CB 4.04Å; L53-K87 HydrophobicContact CD1-CD 4.23Å; L53-K87 HydrophobicContact CG-CB 4.36Å; L53-K87 WeakPolarHBondContact CG-O 3.34Å; L53-I89 HydrophobicContact CD2-CD1 4.35Å
54C91.1Very high88.7Confident42 Ų4241.9 Ų41.928%0.28423%0.234SC..THydrogen-bonded Turntrans-87.415.817462.10000114.8S52 H56 C76 C79 A81S52-C54 PolarHBondContact O-N 3.48Å; S52-C54 PolarHBondContact OG-SG 3.47Å; C54-H56 VanDerWaalsContact C-N 3.32Å; C54-H56 PolarHBondContact O-CE1 3.36Å; C54-H56 PolarHBondContact O-N 2.73Å; C54-H56 PolarHBondContact O-ND1 3.22Å; C54-H56 PolarHBondContact SG-ND1 3.03Å; C54-H56 VanDerWaalsContact SG-ND1 3.45Å; C54-C76 VanDerWaalsContact SG-SG 3.63Å; C54-C79 PolarHBondContact SG-SG 2.79Å; C54-A81 HydrophobicContact CB-CB 3.77Å
55G90.3Very high88.9Confident52 Ų5243.4 Ų43.454%0.53624%0.239SC..SBendtrans81.1-5.5173.300000116.6S52 L53S52-G55 PolarHBondContact O-N 3.28Å; L53-G55 VanDerWaalsContact C-N 3.31Å
56H92.1Very high89.1Confident46 Ų4644.3 Ų44.321%0.21324%0.238CC..  trans-82.6136.5-177.8-6281.5000111.6S52 C54 F58 V78 C79S52-H56 PolarHBondContact N-O 2.84Å; S52-H56 PolarHBondContact OG-N 3.04Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.01Å; C54-H56 VanDerWaalsContact C-N 3.32Å; C54-H56 PolarHBondContact O-CE1 3.36Å; C54-H56 PolarHBondContact O-N 2.73Å; C54-H56 PolarHBondContact O-ND1 3.22Å; C54-H56 PolarHBondContact SG-ND1 3.03Å; C54-H56 VanDerWaalsContact SG-ND1 3.45Å; H56-F58 HydrophobicContact CB-CE2 3.6Å; H56-F58 HydrophobicContact CB-CZ 3.59Å; H56-F58 WeakPolarHBondContact O-CE2 3.38Å; H56-V78 WeakPolarHBondContact CD2-CB 3.47Å; H56-V78 VanDerWaalsContact CD2-CG1 3.48Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.25Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.17Å; H56-C79 PolarHBondContact CE1-SG 2.7Å
57L90.8Very high89.5Confident17 Ų1744.7 Ų44.79%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-103.9135.3-173.7-168.7149.6000112.2F37 E38 N40 S46 A49 I51 L91F37-L57 HydrophobicContact CB-CD1 3.8Å; F37-L57 HydrophobicContact CB-CD2 4Å; F37-L57 HydrophobicContact CD1-CD1 3.61Å; F37-L57 HydrophobicContact CG-CD1 3.98Å; E38-L57 WeakPolarHBondContact O-CD2 3.41Å; N40-L57 PolarHBondContact N-O 2.97Å; N40-L57 PolarHBondContact ND2-O 3.29Å; S46-L57 WeakPolarHBondContact OG-CD2 3.23Å; A49-L57 HydrophobicContact CB-CD2 4.43Å; I51-L57 HydrophobicContact CD1-CD1 4.24Å; I51-L57 HydrophobicContact CG1-CB 4.12Å; I51-L57 HydrophobicContact CG1-CD1 4.06Å; I51-L57 HydrophobicContact CG1-CG 4.16Å; L57-L91 HydrophobicContact CD1-CD1 3.89Å
58F91.8Very high90Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-142.9160.2-178.4-50.3-78.3000111.6C39 N40 I41 V50 H56 L63 P77 V78C39-F58 VanDerWaalsContact SG-CA 3.59Å; N40-F58 HydrophobicContact CB-CD1 3.97Å; N40-F58 HydrophobicContact CB-CE1 3.6Å; N40-F58 HydrophobicContact CB-CZ 4.48Å; I41-F58 HydrophobicContact CD1-CB 4.3Å; I41-F58 HydrophobicContact CD1-CD1 3.45Å; I41-F58 VanDerWaalsContact CD1-CD1 3.45Å; I41-F58 HydrophobicContact CD1-CE1 4.03Å; I41-F58 HydrophobicContact CD1-CG 4.08Å; I41-F58 HydrophobicContact CG1-CD1 3.61Å; I41-F58 HydrophobicContact CG1-CE1 3.95Å; V50-F58 HydrophobicContact CG2-CB 4.34Å; V50-F58 WeakPolarHBondContact CG2-O 3.2Å; V50-F58 PolarHBondContact N-O 2.89Å; V50-F58 PolarHBondContact O-N 3.48Å; H56-F58 HydrophobicContact CB-CE2 3.6Å; H56-F58 HydrophobicContact CB-CZ 3.59Å; H56-F58 WeakPolarHBondContact O-CE2 3.38Å; F58-L63 HydrophobicContact CB-CB 4.05Å; F58-L63 HydrophobicContact CD2-CD1 4.09Å; F58-L63 HydrophobicContact CD2-CD2 4.17Å; F58-L63 HydrophobicContact CE2-CD1 4.43Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; F58-P77 HydrophobicContact CE1-CB 4.29Å; F58-P77 HydrophobicContact CE1-CG 3.87Å; F58-P77 HydrophobicContact CZ-CG 4.03Å; F58-V78 HydrophobicContact CE1-CG2 4.24Å; F58-V78 HydrophobicContact CZ-CG2 4.19Å
59C90.3Very high90.3Very high7 Ų743.9 Ų43.95%0.04724%0.241CC..EExtended strand (participates in β ladder)trans-69.2139.4159.6-58.80000109.4C39 S46 K47 P61 C62 L63C39-C59 HydrophobicContact CB-CB 4.43Å; C39-C59 WeakPolarHBondContact CB-SG 3.46Å; C39-C59 PolarHBondContact SG-N 3.38Å; S46-C59 VanDerWaalsContact CA-SG 3.57Å; K47-C59 PolarHBondContact N-SG 3.17Å; K47-C59 VanDerWaalsContact N-SG 3.45Å; K47-C59 WeakPolarHBondContact O-CA 3.41Å; K47-C59 WeakPolarHBondContact O-CB 3.4Å; C59-P61 HydrophobicContact CB-CG 4.17Å; C59-C62 HydrophobicContact CB-CB 4.07Å; C59-C62 PolarHBondContact O-N 3.36Å; C59-C62 VanDerWaalsContact O-N 3.17Å; C59-L63 PolarHBondContact O-N 3.2Å
60W89.4Confident90.1Very high49 Ų4949.1 Ų49.119%0.18626%0.259CS..Hα-helixtrans-48.6-51.5172.6176.5-120.9000114.2D48 V50 C62 L63 H64 R85 V88D48-W60 HydrophobicContact CB-CB 3.74Å; D48-W60 WeakPolarHBondContact O-CB 3.42Å; D48-W60 PolarHBondContact O-N 3.5Å; V50-W60 HydrophobicContact CG1-CB 4.17Å; V50-W60 HydrophobicContact CG1-CE3 4Å; V50-W60 HydrophobicContact CG2-CE3 4.4Å; W60-C62 VanDerWaalsContact C-N 3.34Å; W60-C62 PolarHBondContact O-N 3.41Å; W60-L63 PolarHBondContact O-N 2.95Å; W60-H64 WeakPolarHBondContact O-CB 3.37Å; W60-H64 PolarHBondContact O-N 3.21Å; W60-R85 HydrophobicContact CH2-CG 3.92Å; W60-V88 HydrophobicContact CE3-CG2 4.44Å; W60-V88 HydrophobicContact CZ3-CG2 3.72Å
61P90.6Very high89.7Confident72 Ų7253.1 Ų53.147%0.46829%0.285SS..Hα-helixtrans-62.4-37.1179.223-34.8000113.4C59 H64 Q65C59-P61 HydrophobicContact CB-CG 4.17Å; P61-H64 PolarHBondContact O-N 3.02Å; P61-Q65 WeakPolarHBondContact O-CB 3.48Å; P61-Q65 PolarHBondContact O-N 3.24Å
62C91.3Very high89.3Confident32 Ų3258.7 Ų58.722%0.21632%0.316CS..Hα-helixtrans-66.4-44.1179-62.90000111.6I41 C59 W60 W66I41-C62 HydrophobicContact CB-CB 3.95Å; I41-C62 HydrophobicContact CD1-CB 3.8Å; I41-C62 HydrophobicContact CG2-CB 3.89Å; C59-C62 HydrophobicContact CB-CB 4.07Å; C59-C62 PolarHBondContact O-N 3.36Å; C59-C62 VanDerWaalsContact O-N 3.17Å; W60-C62 VanDerWaalsContact C-N 3.34Å; W60-C62 PolarHBondContact O-N 3.41Å; C62-W66 PolarHBondContact O-N 3.28Å
63L91.4Very high88.9Confident0 Ų067.8 Ų67.80%035%0.35CS..Hα-helixtrans-69.8-38.9177.3-174.661.1000111.9V50 F58 C59 W60 W66 L67 I83 V88V50-L63 HydrophobicContact CG2-CB 4.32Å; V50-L63 HydrophobicContact CG2-CD2 3.77Å; F58-L63 HydrophobicContact CB-CB 4.05Å; F58-L63 HydrophobicContact CD2-CD1 4.09Å; F58-L63 HydrophobicContact CD2-CD2 4.17Å; F58-L63 HydrophobicContact CE2-CD1 4.43Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; C59-L63 PolarHBondContact O-N 3.2Å; W60-L63 PolarHBondContact O-N 2.95Å; L63-W66 WeakPolarHBondContact O-CB 3.44Å; L63-W66 PolarHBondContact O-N 2.93Å; L63-L67 HydrophobicContact CG-CD1 4.32Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 3.4Å; L63-I83 HydrophobicContact CD1-CD1 4.07Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L63-I83 HydrophobicContact CG-CD1 4.5Å; L63-V88 HydrophobicContact CD2-CG1 3.76Å
64H90.1Very high88.9Confident54 Ų5466.1 Ų66.125%0.2534%0.339CS..Hα-helixtrans-59.4-51.7176.3-178.5-100.1000111.6W60 P61 W66 L67 E68 R85W60-H64 WeakPolarHBondContact O-CB 3.37Å; W60-H64 PolarHBondContact O-N 3.21Å; P61-H64 PolarHBondContact O-N 3.02Å; H64-W66 VanDerWaalsContact C-N 3.26Å; H64-W66 PolarHBondContact O-N 3.45Å; H64-L67 PolarHBondContact O-N 3.4Å; H64-L67 VanDerWaalsContact O-N 3.16Å; H64-E68 IonicContact CE1-OE2 3.63Å; H64-E68 PolarHBondContact CE1-OE2 2.84Å; H64-E68 VanDerWaalsContact CE1-OE2 3.25Å; H64-E68 IonicContact ND1-OE1 3.48Å; H64-E68 IonicContact ND1-OE2 2.96Å; H64-E68 PolarHBondContact ND1-OE2 2.98Å; H64-E68 IonicContact NE2-OE1 2.73Å; H64-E68 PolarHBondContact NE2-OE1 3.45Å; H64-E68 IonicContact NE2-OE2 3.3Å; H64-E68 PolarHBondContact NE2-OE2 3.09Å; H64-E68 PolarHBondContact O-N 3.03Å; H64-R85 VanDerWaalsContact CD2-CZ 3.45Å; H64-R85 PolarHBondContact CD2-NH1 3.02Å; H64-R85 PolarHBondContact CD2-NH2 2.8Å
65Q91.4Very high88.9Confident113 Ų11366.2 Ų66.253%0.52834%0.338SS..Hα-helixtrans-57-39.2176-17565.54900112.3P61 T69P61-Q65 WeakPolarHBondContact O-CB 3.48Å; P61-Q65 PolarHBondContact O-N 3.24Å; Q65-T69 WeakPolarHBondContact O-CB 3.47Å; Q65-T69 PolarHBondContact O-N 3.3Å; Q65-T69 PolarHBondContact O-OG1 2.88Å
66W90.7Very high89Confident62 Ų6263.7 Ų63.724%0.23531%0.312CS..Hα-helixtrans-63.7-43.9177.9176.6-98.2000112.5C62 L63 H64 T69 R70 V75 P77C62-W66 PolarHBondContact O-N 3.28Å; L63-W66 WeakPolarHBondContact O-CB 3.44Å; L63-W66 PolarHBondContact O-N 2.93Å; H64-W66 VanDerWaalsContact C-N 3.26Å; H64-W66 PolarHBondContact O-N 3.45Å; W66-T69 PolarHBondContact O-N 2.95Å; W66-R70 VanDerWaalsContact CH2-CZ 3.5Å; W66-R70 PolarHBondContact O-N 3Å; W66-V75 PolarHBondContact NE1-O 3.39Å; W66-P77 HydrophobicContact CD2-CG 4.01Å; W66-P77 HydrophobicContact CG-CG 4.14Å; W66-P77 HydrophobicContact CH2-CB 4.41Å; W66-P77 HydrophobicContact CZ2-CB 4.1Å; W66-P77 HydrophobicContact CZ2-CG 4.15Å
67L88.9Confident88.9Confident15 Ų1563.3 Ų63.38%0.07931%0.314CS..Hα-helixtrans-68.5-40.3178.5-65.2174.1000112L63 H64 R70 Q74 I83 R85L63-L67 HydrophobicContact CG-CD1 4.32Å; L63-L67 WeakPolarHBondContact O-CG 3.36Å; L63-L67 PolarHBondContact O-N 3.4Å; H64-L67 PolarHBondContact O-N 3.4Å; H64-L67 VanDerWaalsContact O-N 3.16Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.3Å; L67-R70 PolarHBondContact O-N 3.13Å; L67-Q74 HydrophobicContact CD2-CB 3.93Å; L67-Q74 HydrophobicContact CD2-CG 4.25Å; L67-I83 HydrophobicContact CD2-CG2 3.89Å; L67-R85 HydrophobicContact CD1-CB 4.43Å
68E89.1Confident88.9Confident99 Ų9965.9 Ų65.946%0.46333%0.33SS..Hα-helixtrans-67.5-34.2176.5-70.7-171.8149.900112.9H64 R70H64-E68 IonicContact CE1-OE2 3.63Å; H64-E68 PolarHBondContact CE1-OE2 2.84Å; H64-E68 VanDerWaalsContact CE1-OE2 3.25Å; H64-E68 IonicContact ND1-OE1 3.48Å; H64-E68 IonicContact ND1-OE2 2.96Å; H64-E68 PolarHBondContact ND1-OE2 2.98Å; H64-E68 IonicContact NE2-OE1 2.73Å; H64-E68 PolarHBondContact NE2-OE1 3.45Å; H64-E68 IonicContact NE2-OE2 3.3Å; H64-E68 PolarHBondContact NE2-OE2 3.09Å; H64-E68 PolarHBondContact O-N 3.03Å; E68-R70 PolarHBondContact O-N 3.22Å
69T88.1Confident88.8Confident89 Ų8968.7 Ų68.755%0.54635%0.349SS..Hα-helixtrans-67.2-21.6175.1-53.10000112.2Q65 W66Q65-T69 WeakPolarHBondContact O-CB 3.47Å; Q65-T69 PolarHBondContact O-N 3.3Å; Q65-T69 PolarHBondContact O-OG1 2.88Å; W66-T69 PolarHBondContact O-N 2.95Å
70R84.3Confident88.9Confident119 Ų11976.3 Ų76.345%0.44938%0.381SS..  trans-139.260.9-171.6-59.5-178.6-174.3-174.72.9112.4W66 L67 E68 N72 R73W66-R70 VanDerWaalsContact CH2-CZ 3.5Å; W66-R70 PolarHBondContact O-N 3Å; L67-R70 CarbonylContact O-C 3.56Å; L67-R70 VanDerWaalsContact O-C 3.3Å; L67-R70 PolarHBondContact O-N 3.13Å; E68-R70 PolarHBondContact O-N 3.22Å; R70-N72 PolarHBondContact O-N 2.83Å; R70-N72 VanDerWaalsContact O-N 3.16Å; R70-R73 CarbonylContact O-C 3.29Å; R70-R73 VanDerWaalsContact O-C 3.29Å; R70-R73 PolarHBondContact O-N 2.95Å
71P81.3Confident88.9Confident86 Ų8675.7 Ų75.756%0.55839%0.387SS*.THydrogen-bonded Turntrans-59.3-35-174.124.3-34.6000112.9R73P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 PolarHBondContact O-N 3.27Å
72N82.8Confident88.8Confident161 Ų16175.5 Ų75.586%0.86140%0.397SS*.THydrogen-bonded Turntrans-75.2-9178.6-63.5-26.3000114.2R70R70-N72 PolarHBondContact O-N 2.83Å; R70-N72 VanDerWaalsContact O-N 3.16Å
73R82.7Confident88.7Confident192 Ų19274.4 Ų74.473%0.72539%0.39SS*.  trans-145.174-176.1-69.1-170.7-179.8174.91.1110.9R70 P71 V75R70-R73 CarbonylContact O-C 3.29Å; R70-R73 VanDerWaalsContact O-C 3.29Å; R70-R73 PolarHBondContact O-N 2.95Å; P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 PolarHBondContact O-N 3.27Å; R73-V75 VanDerWaalsContact C-N 3.32Å; R73-V75 PolarHBondContact O-N 2.93Å
74Q88.4Confident88.4Confident81 Ų8175 Ų7538%0.37939%0.394SS..  trans-74.285.1173.1-53.5-172.63.100110L67 I83L67-Q74 HydrophobicContact CD2-CB 3.93Å; L67-Q74 HydrophobicContact CD2-CG 4.25Å; Q74-I83 WeakPolarHBondContact CB-O 3.38Å; Q74-I83 PolarHBondContact O-N 2.65Å; Q74-I83 PolarHBondContact OE1-O 2.86Å
75V91.8Very high88.1Confident44 Ų4477.1 Ų77.127%0.26740%0.399SS..BIsolated β-bridgetrans-127.1145.7-178.2-63.20000111.7W66 R73 A81W66-V75 PolarHBondContact NE1-O 3.39Å; R73-V75 VanDerWaalsContact C-N 3.32Å; R73-V75 PolarHBondContact O-N 2.93Å; V75-A81 CarbonylContact C-O 3.3Å; V75-A81 WeakPolarHBondContact CA-O 3.47Å
76C92.1Very high87.5Confident0 Ų077.5 Ų77.50%040%0.401CS..  trans-58.7131.1174.2178.30000111.1C54 V78 C79 K80 A81C54-C76 VanDerWaalsContact SG-SG 3.63Å; C76-V78 PolarHBondContact O-N 3.07Å; C76-C79 VanDerWaalsContact SG-SG 3.68Å; C76-K80 VanDerWaalsContact O-CA 3.23Å; C76-K80 WeakPolarHBondContact O-CA 3.13Å; C76-K80 PolarHBondContact O-N 2.89Å; C76-A81 PolarHBondContact N-O 2.77Å
77P89.6Confident87.1Confident38 Ų3880.2 Ų80.225%0.24742%0.415CS..THydrogen-bonded Turntrans-54.7-34.3176.3-2530.4000114.5I41 F58 W66I41-P77 HydrophobicContact CD1-CG 4.07Å; I41-P77 HydrophobicContact CG1-CG 4.19Å; F58-P77 HydrophobicContact CE1-CB 4.29Å; F58-P77 HydrophobicContact CE1-CG 3.87Å; F58-P77 HydrophobicContact CZ-CG 4.03Å; W66-P77 HydrophobicContact CD2-CG 4.01Å; W66-P77 HydrophobicContact CG-CG 4.14Å; W66-P77 HydrophobicContact CH2-CB 4.41Å; W66-P77 HydrophobicContact CZ2-CB 4.1Å; W66-P77 HydrophobicContact CZ2-CG 4.15Å
78V91.1Very high87Confident70 Ų7080.2 Ų80.242%0.42442%0.415SS..THydrogen-bonded Turntrans-89-64.5-173-172.50000111.3N40 H56 F58 C76N40-V78 HydrophobicContact CB-CG2 3.87Å; H56-V78 WeakPolarHBondContact CD2-CB 3.47Å; H56-V78 VanDerWaalsContact CD2-CG1 3.48Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.25Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.17Å; F58-V78 HydrophobicContact CE1-CG2 4.24Å; F58-V78 HydrophobicContact CZ-CG2 4.19Å; C76-V78 PolarHBondContact O-N 3.07Å
79C90.6Very high86.9Confident59 Ų5979.9 Ų79.940%0.39942%0.416SS..THydrogen-bonded Turntrans-98.30.1-173.269.10000115.1C54 H56 C76 A81C54-C79 PolarHBondContact SG-SG 2.79Å; H56-C79 PolarHBondContact CE1-SG 2.7Å; C76-C79 VanDerWaalsContact SG-SG 3.68Å; C79-A81 PolarHBondContact O-N 3.16Å; C79-A81 VanDerWaalsContact SG-CB 3.59Å
80K91.5Very high86.8Confident167 Ų16777.1 Ų77.173%0.72640%0.399SS*.  trans61.48.2-179.3-51.1173.5-174.4172.90115.8C76C76-K80 VanDerWaalsContact O-CA 3.23Å; C76-K80 WeakPolarHBondContact O-CA 3.13Å; C76-K80 PolarHBondContact O-N 2.89Å
81A89Confident86.7Confident37 Ų3774.3 Ų74.331%0.30639%0.393SS..  trans-59147172.800000111.5C54 V75 C76 C79 I83C54-A81 HydrophobicContact CB-CB 3.77Å; V75-A81 CarbonylContact C-O 3.3Å; V75-A81 WeakPolarHBondContact CA-O 3.47Å; C76-A81 PolarHBondContact N-O 2.77Å; C79-A81 PolarHBondContact O-N 3.16Å; C79-A81 VanDerWaalsContact SG-CB 3.59Å; A81-I83 PolarHBondContact O-N 2.84Å
82G88.6Confident86.4Confident67 Ų6777.8 Ų77.869%0.69140%0.396SS*.BIsolated β-bridgetrans-61.3129.5174.500000111.1
83I89.6Confident85.6Confident10 Ų1071.6 Ų71.65%0.05137%0.37CS..  trans-131.3153178.8-170.4177000107.8S52 L63 L67 Q74 A81 V88S52-I83 VanDerWaalsContact CB-CD1 3.42Å; L63-I83 HydrophobicContact CD1-CD1 4.07Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L63-I83 HydrophobicContact CG-CD1 4.5Å; L67-I83 HydrophobicContact CD2-CG2 3.89Å; Q74-I83 WeakPolarHBondContact CB-O 3.38Å; Q74-I83 PolarHBondContact O-N 2.65Å; Q74-I83 PolarHBondContact OE1-O 2.86Å; A81-I83 PolarHBondContact O-N 2.84Å; I83-V88 HydrophobicContact CD1-CG1 3.9Å; I83-V88 HydrophobicContact CG1-CG1 4.13Å
84S85.4Confident84.6Confident12 Ų1275.3 Ų75.38%0.08438%0.384CS..  trans-141.4156.5169.3640000111.3E86 K87S84-E86 WeakPolarHBondContact CB-OE1 3.3Å; S84-E86 PolarHBondContact O-N 2.75Å; S84-E86 PolarHBondContact OG-OE1 2.8Å; S84-K87 PolarHBondContact O-N 2.7Å; S84-K87 VanDerWaalsContact OG-CD 3.29Å; S84-K87 WeakPolarHBondContact OG-CD 3.47Å; S84-K87 VanDerWaalsContact OG-CG 3.3Å; S84-K87 WeakPolarHBondContact OG-CG 3.3Å
85R83.1Confident83Confident99 Ų9973.1 Ų73.137%0.37438%0.382SS..THydrogen-bonded Turntrans-61.3-30.7-169.6-177.1-179.4176.4144.56.8112.8W60 H64 L67 V88W60-R85 HydrophobicContact CH2-CG 3.92Å; H64-R85 VanDerWaalsContact CD2-CZ 3.45Å; H64-R85 PolarHBondContact CD2-NH1 3.02Å; H64-R85 PolarHBondContact CD2-NH2 2.8Å; L67-R85 HydrophobicContact CD1-CB 4.43Å; R85-V88 VanDerWaalsContact O-CG2 3.3Å; R85-V88 WeakPolarHBondContact O-CG2 3.29Å
86E79.9Confident81.3Confident121 Ų12174.3 Ų74.357%0.56539%0.393SS*.THydrogen-bonded Turntrans-88.6-8.2179.570.8-66.1157.800113.9S84S84-E86 WeakPolarHBondContact CB-OE1 3.3Å; S84-E86 PolarHBondContact O-N 2.75Å; S84-E86 PolarHBondContact OG-OE1 2.8Å
87K81.5Confident79.5Confident119 Ų11980.6 Ų80.652%0.51743%0.432SS..SBendtrans-108.116.2179.9-64.2-178.7-1681720113.7L53 S84L53-K87 HydrophobicContact CD1-CB 4.04Å; L53-K87 HydrophobicContact CD1-CD 4.23Å; L53-K87 HydrophobicContact CG-CB 4.36Å; L53-K87 WeakPolarHBondContact CG-O 3.34Å; S84-K87 PolarHBondContact O-N 2.7Å; S84-K87 VanDerWaalsContact OG-CD 3.29Å; S84-K87 WeakPolarHBondContact OG-CD 3.47Å; S84-K87 VanDerWaalsContact OG-CG 3.3Å; S84-K87 WeakPolarHBondContact OG-CG 3.3Å
88V87.4Confident78Confident14 Ų1481.4 Ų81.49%0.08545%0.447CS..  trans-90.6137.8173.6-67.20000111.3W60 L63 I83 R85W60-V88 HydrophobicContact CE3-CG2 4.44Å; W60-V88 HydrophobicContact CZ3-CG2 3.72Å; L63-V88 HydrophobicContact CD2-CG1 3.76Å; I83-V88 HydrophobicContact CD1-CG1 3.9Å; I83-V88 HydrophobicContact CG1-CG1 4.13Å; R85-V88 VanDerWaalsContact O-CG2 3.3Å; R85-V88 WeakPolarHBondContact O-CG2 3.29Å
89I86.4Confident76.4Confident93 Ų9387.5 Ų87.548%0.47747%0.471SS..EExtended strand (participates in β ladder)trans-100.8114.8-178.7-58.5172.7000107.7I51 L53I51-I89 PolarHBondContact N-O 2.54Å; I51-I89 PolarHBondContact O-N 3.17Å; L53-I89 HydrophobicContact CD2-CD1 4.35Å
90P85.6Confident74.6Confident31 Ų3192.9 Ų92.920%0.20149%0.49CS..EExtended strand (participates in β ladder)trans-72.3134.917530.2-33.6000110.7V50 Y92V50-P90 HydrophobicContact CG1-CB 4.45Å; P90-Y92 HydrophobicContact CB-CE2 4.12Å; P90-Y92 HydrophobicContact CG-CE2 4.02Å
91L83.5Confident72.9Confident59 Ų5988.9 Ų88.931%0.30948%0.477SS..  trans-98.4131.5171-75-168.6000110.7F37 A49 I51 L57F37-L91 HydrophobicContact CE1-CD1 4.39Å; A49-L91 HydrophobicContact CB-CB 4.09Å; A49-L91 PolarHBondContact O-N 3.33Å; I51-L91 HydrophobicContact CD1-CD1 3.44Å; I51-L91 VanDerWaalsContact CD1-CD1 3.44Å; I51-L91 HydrophobicContact CD1-CD2 4.42Å; I51-L91 HydrophobicContact CD1-CG 3.97Å; I51-L91 HydrophobicContact CG1-CD1 3.86Å; I51-L91 HydrophobicContact CG1-CG 4.07Å; L57-L91 HydrophobicContact CD1-CD1 3.89Å
92Y73.3Confident71.3Confident160 Ų16090.1 Ų90.163%0.62748%0.481SS*.  trans-115.488.6171-52.5-76.7000108.1P90 R109P90-Y92 HydrophobicContact CB-CE2 4.12Å; P90-Y92 HydrophobicContact CG-CE2 4.02Å; Y92-R109 VanDerWaalsContact OH-CD 3.25Å; Y92-R109 WeakPolarHBondContact OH-CD 3.25Å; Y92-R109 PolarHBondContact OH-NE 2.83Å; Y92-R109 PolarHBondContact OH-NH1 2.92Å
93G66.8Low69.8Low30 Ų3097.1 Ų97.131%0.30949%0.487SS..  trans-104.4150.7-177.400000112.9G95G93-G95 PolarHBondContact O-N 2.89Å
94R61.8Low68.4Low271 Ų271104.8 Ų104.8100%1.02352%0.523SS*.THydrogen-bonded Turntrans-72.118.6-178.9-61.9175.888.5131.7-1.7114.7
95G54.1Low67.2Low34 Ų34114.9 Ų114.935%0.35156%0.559SS.*THydrogen-bonded Turntrans-121.80.4-175.900000115.2G93 T97G93-G95 PolarHBondContact O-N 2.89Å; G95-T97 PolarHBondContact O-N 3.34Å; G95-T97 VanDerWaalsContact O-N 3.16Å
96S56.4Low65.8Low69 Ų69115.9 Ų115.948%0.48358%0.576SS.*  trans-77.999.9173.9580000110.2G98S96-G98 PolarHBondContact O-N 3.11Å
97T53.9Low64.8Low133 Ų133114 Ų11482%0.81658%0.575SS**SBendtrans-67.877.4173.749.60000110.7G95G95-T97 PolarHBondContact O-N 3.34Å; G95-T97 VanDerWaalsContact O-N 3.16Å
98G57.8Low63.8Low55 Ų55114.1 Ų114.157%0.56759%0.587SS**  trans163.560.8-170.300000111.6S96 Q100S96-G98 PolarHBondContact O-N 3.11Å; G98-Q100 PolarHBondContact O-N 2.86Å
99Q57.6Low62.2Low197 Ų197117 Ų11792%0.92160%0.596SS**  trans-72.571.3171.2-168.7-160.313.100110.4
100Q53.7Low61Low172 Ų172115 Ų11580%0.80459%0.59SS**  trans-97127.3153.3-73.2176.82400106.5G98 P102G98-Q100 PolarHBondContact O-N 2.86Å; Q100-P102 WeakPolarHBondContact O-CD 3.25Å
101D54.8Low59.8Low84 Ų84122.3 Ų122.345%0.44962%0.621SS.*  trans-62.8118.1-175.6-169.6-23.6000109.4R103 E104D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 VanDerWaalsContact OD1-CD 3.25Å; D101-R103 WeakPolarHBondContact OD1-CD 3.35Å; D101-R103 WeakPolarHBondContact OD1-CG 3.09Å; D101-R103 PolarHBondContact OD1-N 2.96Å; D101-R103 VanDerWaalsContact OD1-N 3.13Å; D101-R103 WeakPolarHBondContact OD2-CD 3.45Å; D101-E104 PolarHBondContact O-N 3.3Å; D101-E104 VanDerWaalsContact O-N 3.11Å
102P55.8Low59Low62 Ų62122.5 Ų122.540%0.40364%0.637SS.*THydrogen-bonded Turntrans-61.9-0.5-179.1-2435.7000114.6Q100Q100-P102 WeakPolarHBondContact O-CD 3.25Å
103R58.5Low58.3Low215 Ų215124 Ų12481%0.81165%0.65SS**THydrogen-bonded Turntrans-74.4-18.7172.4-64.3169.679.3168.95113.9D101D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 VanDerWaalsContact OD1-CD 3.25Å; D101-R103 WeakPolarHBondContact OD1-CD 3.35Å; D101-R103 WeakPolarHBondContact OD1-CG 3.09Å; D101-R103 PolarHBondContact OD1-N 2.96Å; D101-R103 VanDerWaalsContact OD1-N 3.13Å; D101-R103 WeakPolarHBondContact OD2-CD 3.45Å
104E60.2Low58.1Low171 Ų171132.5 Ų132.580%0.79967%0.673SS**SBendtrans-91.5-7.8-174-62.7-165.7159.500115D101D101-E104 PolarHBondContact O-N 3.3Å; D101-E104 VanDerWaalsContact O-N 3.11Å
105R59.7Low58.2Low223 Ų223125 Ų12584%0.84266%0.659SS**SBendtrans-119.280.1179.7-161.273.7178-1760.3112.7
106T53.1Low59Low121 Ų121131.6 Ų131.674%0.74268%0.681SS**  trans-38.1131.8163-32.80000110.6
107P59.9Low59.4Low82 Ų82132.5 Ų132.553%0.53269%0.685SS.*SBendcis-104.4164.538.138-35.5000116.2R109P107-R109 PolarHBondContact O-N 3.34Å
108P59.4Low59.9Low121 Ų121134.1 Ų134.179%0.78668%0.683SS**PPolyproline II helixtrans-62.1125.8-173.623.9-34.9000113.5
109R53.2Low60.1Low73 Ų73138 Ų13828%0.27569%0.691SS.*PPolyproline II helixtrans-66.3134171.1-167.6177-126.3129.22.1109.1D48 Y92 P107 Q111D48-R109 IonicContact OD1-CZ 3.93Å; D48-R109 IonicContact OD1-NH1 3.25Å; D48-R109 PolarHBondContact OD1-NH1 3.13Å; D48-R109 IonicContact OD1-NH2 2.49Å; D48-R109 PolarHBondContact OD1-NH2 2.84Å; Y92-R109 VanDerWaalsContact OH-CD 3.25Å; Y92-R109 WeakPolarHBondContact OH-CD 3.25Å; Y92-R109 PolarHBondContact OH-NE 2.83Å; Y92-R109 PolarHBondContact OH-NH1 2.92Å; P107-R109 PolarHBondContact O-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.26Å
110P61.8Low60.2Low51 Ų51138.3 Ų138.333%0.33168%0.684SS.*PPolyproline II helixtrans-57.1129.517124.3-32.6000108.7G112P110-G112 PolarHBondContact O-N 3.24Å
111Q60.2Low60Low186 Ų186133.2 Ų133.287%0.86968%0.677SS**PPolyproline II helixtrans-63.1126.2178.7-67.6-179.6-5.400108.3R109 Q113R109-Q111 PolarHBondContact O-N 3.26Å; Q111-Q113 PolarHBondContact O-N 3.27Å
112G67.6Low59.7Low62 Ų62132 Ų13264%0.63969%0.685SS**PPolyproline II helixtrans-58.1128170.600000108.3P110 R114P110-G112 PolarHBondContact O-N 3.24Å; G112-R114 PolarHBondContact O-N 2.73Å
113Q57.4Low59.4Low193 Ų193137.9 Ų137.990%0.90270%0.704SS**  trans-67.679169.5-72.8-177-16.900108.4Q111 P115Q111-Q113 PolarHBondContact O-N 3.27Å; Q113-P115 WeakPolarHBondContact O-CD 3.04Å
114R62.6Low59.4Low207 Ų207137.2 Ų137.278%0.78171%0.71SS**  trans-77.8102.7160-179.8171.3-171.8161.13.3105.1G112 E116G112-R114 PolarHBondContact O-N 2.73Å; R114-E116 PolarHBondContact O-N 3.22Å
115P64.8Low58.6Low114 Ų114129.9 Ų129.974%0.7468%0.681SS**  trans-51.9131.216024.8-33.4000106.6Q113Q113-P115 WeakPolarHBondContact O-CD 3.04Å
116E71.6Confident57.4Low173 Ų173126.1 Ų126.181%0.80867%0.671SS**  trans-53.3132.6177.1-163.7151.188.200107.4R114 E118R114-E116 PolarHBondContact O-N 3.22Å; E116-E118 PolarHBondContact O-N 2.85Å
117P64.3Low56.9Low88 Ų88124.3 Ų124.357%0.57168%0.676SS**  trans-56.7112.5174.124.1-32.9000106.6N119P117-N119 PolarHBondContact O-N 2.87Å
118E64.9Low55.9Low166 Ų166127.6 Ų127.678%0.77668%0.682SS**  trans-43.7108.6-177.7-178.788.986.100107.6E116 R120E116-E118 PolarHBondContact O-N 2.85Å; E118-R120 HydrophobicContact CG-CB 4.41Å; E118-R120 PolarHBondContact O-N 3.18Å
119N61.3Low55Low136 Ų136125.3 Ų125.373%0.72768%0.68SS**  trans-7669.8176.5-169.8-19.2000106.6P117 G121P117-N119 PolarHBondContact O-N 2.87Å; N119-G121 VanDerWaalsContact C-N 3.35Å; N119-G121 WeakPolarHBondContact O-CA 2.94Å; N119-G121 PolarHBondContact O-N 2.96Å
120R59.1Low54.5Low205 Ų205129.6 Ų129.677%0.77471%0.709SS**  trans-59.4103.7174.6-169176.3-176.9118.5-1.7104.7E118E118-R120 HydrophobicContact CG-CB 4.41Å; E118-R120 PolarHBondContact O-N 3.18Å
121G50.5Low53.9Low64 Ų64130.6 Ų130.666%0.6673%0.728SS**  trans-49.2149.5-148.600000114.8N119N119-G121 VanDerWaalsContact C-N 3.35Å; N119-G121 WeakPolarHBondContact O-CA 2.94Å; N119-G121 PolarHBondContact O-N 2.96Å
122G48.8Very low53Low59 Ų59124.7 Ų124.761%0.60872%0.717SS**  trans-41.2137.3-170.400000114.6Q124G122-Q124 PolarHBondContact O-N 3.23Å
123F48Very low51.9Low185 Ų185130.1 Ų130.181%0.81172%0.724SS**  trans-21.785.9170.2-178.8-108.1000114.8G125F123-G125 WeakPolarHBondContact CE1-O 3.47Å; F123-G125 WeakPolarHBondContact CZ-O 3.37Å; F123-G125 PolarHBondContact O-N 3.38Å
124Q58.6Low51.5Low202 Ų202127.6 Ų127.694%0.94471%0.712SS**  trans-81.360.7163.4-68.3-159.5-26.900108.9G122G122-Q124 PolarHBondContact O-N 3.23Å
125G43Very low50.9Low17 Ų17124.3 Ų124.318%0.17571%0.707CS.*SBendtrans-126.670-17400000111.8F123F123-G125 WeakPolarHBondContact CE1-O 3.47Å; F123-G125 WeakPolarHBondContact CZ-O 3.37Å; F123-G125 PolarHBondContact O-N 3.38Å
126F35.9Very low50.4Low144 Ų144124.8 Ų124.863%0.63271%0.713SS**  trans50.978.3166-97.1-108.9000115.7F128F126-F128 VanDerWaalsContact C-N 3.27Å; F126-F128 AromaticContact CD1-CD2 3.33Å; F126-F128 HydrophobicContact CD1-CD2 3.33Å; F126-F128 AromaticContact CD1-CE2 3.84Å; F126-F128 HydrophobicContact CD1-CE2 3.84Å; F126-F128 HydrophobicContact CD1-CG 4.22Å; F126-F128 AromaticContact CE1-CD2 3.59Å; F126-F128 HydrophobicContact CE1-CD2 3.59Å; F126-F128 AromaticContact CE1-CE2 3.63Å; F126-F128 HydrophobicContact CE1-CE2 3.63Å; F126-F128 HydrophobicContact CG-CD2 4.2Å; F126-F128 HydrophobicContact CZ-CE2 4.36Å; F126-F128 PolarHBondContact O-N 3.26Å
127G42.3Very low49.6Very low82 Ų82126.3 Ų126.385%0.84572%0.718SS**  trans-67.889.2152.400000109.9
128F38.6Very low48.9Very low152 Ų152125.3 Ų125.367%0.66772%0.723SS**  trans-127110.3162.3-87.6-93.6000109.3F126F126-F128 VanDerWaalsContact C-N 3.27Å; F126-F128 AromaticContact CD1-CD2 3.33Å; F126-F128 HydrophobicContact CD1-CD2 3.33Å; F126-F128 AromaticContact CD1-CE2 3.84Å; F126-F128 HydrophobicContact CD1-CE2 3.84Å; F126-F128 HydrophobicContact CD1-CG 4.22Å; F126-F128 AromaticContact CE1-CD2 3.59Å; F126-F128 HydrophobicContact CE1-CD2 3.59Å; F126-F128 AromaticContact CE1-CE2 3.63Å; F126-F128 HydrophobicContact CE1-CE2 3.63Å; F126-F128 HydrophobicContact CG-CD2 4.2Å; F126-F128 HydrophobicContact CZ-CE2 4.36Å; F126-F128 PolarHBondContact O-N 3.26Å
129G41.3Very low48.2Very low73 Ų73126.1 Ų126.175%0.75373%0.73SS**SBendtrans-58.9146.2148.700000108.7
130D43Very low47.4Very low163 Ų163122.5 Ų122.587%0.87273%0.725SS**SBendtrans65.788.8-173.2-94-34.7000117.3G132D130-G132 PolarHBondContact O-N 3.3Å
131G48.1Very low47.3Very low71 Ų71117.7 Ų117.773%0.73273%0.73SS**  72.712.712600000119.8
132G41.3Very low47Very low63 Ų63122.5 Ų122.565%0.64973%0.733SS**  trans-97.3122.8-175.700000115.8D130D130-G132 PolarHBondContact O-N 3.3Å
133F44.1Very low47.3Very low175 Ų175124.6 Ų124.677%0.76874%0.736SS**  trans-67.6131.4171.8-15-91.5000111.4M135F133-M135 HydrophobicContact CB-CE 3.85Å; F133-M135 HydrophobicContact CB-SD 4.27Å; F133-M135 HydrophobicContact CD2-CE 4.36Å; F133-M135 HydrophobicContact CG-CE 4.29Å
134Q49.8Very low47.6Very low141 Ų141122.7 Ų122.766%0.65973%0.727SS**  trans-94.9105.9178.857.5-170.7-14.100112.1
135M48.8Very low47.2Very low138 Ų138115 Ų11568%0.6870%0.702SS**  trans-102.4100.1172.3-63.4103.817600111.1F133 F137F133-M135 HydrophobicContact CB-CE 3.85Å; F133-M135 HydrophobicContact CB-SD 4.27Å; F133-M135 HydrophobicContact CD2-CE 4.36Å; F133-M135 HydrophobicContact CG-CE 4.29Å; M135-F137 HydrophobicContact CB-CD2 4.41Å; M135-F137 HydrophobicContact CB-CE2 4.38Å; M135-F137 PolarHBondContact O-N 3.09Å; M135-F137 VanDerWaalsContact O-N 3.16Å
136S55.1Low47.8Very low124 Ų124120.7 Ų120.787%0.86773%0.727SS**  trans-76.997.4176-59.80000111.7
137F55Low48.3Very low205 Ų205120.5 Ų120.590%0.89973%0.726SS**  trans-79.3113.6171.6-90.4-99.5000111.1M135M135-F137 HydrophobicContact CB-CD2 4.41Å; M135-F137 HydrophobicContact CB-CE2 4.38Å; M135-F137 PolarHBondContact O-N 3.09Å; M135-F137 VanDerWaalsContact O-N 3.16Å
138G49.9Very low48.5Very low66 Ų66120.6 Ų120.668%0.6872%0.719SS**  trans-179.393.6175.300000115.8
139I49.8Very low49.1Very low183 Ų183118.1 Ų118.194%0.93872%0.717SS**SBendtrans99.1104.7168.7-54.4160.7000115.1
140G44.1Very low49.6Very low60 Ų60117.2 Ų117.262%0.61970%0.702SS**  trans111.283.6162.300000115.6F142G140-F142 PolarHBondContact O-N 3.27Å; G140-F142 VanDerWaalsContact O-N 3.08Å
141A58Low49.8Very low105 Ų105118 Ų11887%0.86870%0.698SS**  trans-79.281.516900000111.1
142F44.1Very low49.9Very low165 Ų165119.8 Ų119.872%0.72469%0.691SS**SBendtrans-167.3146.2160.9-126.9-100.5000108.9G140 F144 G145G140-F142 PolarHBondContact O-N 3.27Å; G140-F142 VanDerWaalsContact O-N 3.08Å; F142-F144 HydrophobicContact CD1-CD2 4.19Å; F142-F144 PolarHBondContact O-N 3.13Å; F142-G145 PolarHBondContact O-N 2.86Å
143P55.3Low50.3Low103 Ų103123.4 Ų123.467%0.66969%0.694SS**THydrogen-bonded Turntrans-63.20.3-172.323.1-35.6000117.1
144F53.4Low50.3Low145 Ų145122.1 Ų122.164%0.63670%0.695SS**THydrogen-bonded Turntrans-1060.9179.7-57.2-71.4000114.4F142 I146 F147F142-F144 HydrophobicContact CD1-CD2 4.19Å; F142-F144 PolarHBondContact O-N 3.13Å; F144-I146 PolarHBondContact O-N 3.15Å; F144-F147 PolarHBondContact O-N 3.41Å
145G50.8Low50.2Low40 Ų40120.7 Ų120.741%0.41269%0.692SS.*Hα-helixtrans-59.9-12-178.200000115.8F142 T149F142-G145 PolarHBondContact O-N 2.86Å; G145-T149 PolarHBondContact O-OG1 2.98Å
146I55.6Low50.1Low137 Ų137117.6 Ų117.670%0.70370%0.695SS**Hα-helixtrans-76.3-24179.9-37.7-177.8000112F144F144-I146 PolarHBondContact O-N 3.15Å
147F46.4Very low50Low139 Ų139122.6 Ų122.661%0.6170%0.695SS**Hα-helixtrans-84.6-29.8-176.2-74.4-81.9000114F144 T149 A150F144-F147 PolarHBondContact O-N 3.41Å; F147-T149 VanDerWaalsContact C-N 3.32Å; F147-T149 PolarHBondContact O-N 2.82Å; F147-A150 PolarHBondContact O-N 3.42Å
148A45.5Very low50.1Low84 Ų84117.6 Ų117.669%0.69468%0.683SS**Hα-helixtrans-67.1-33.7-179.800000112.3A150A148-A150 VanDerWaalsContact C-N 3.34Å
149T51Low50.4Low101 Ų101118.5 Ų118.562%0.6268%0.677SS**THydrogen-bonded Turntrans-75.6-20.5179.5-13.10000113.2G145 F147 I153G145-T149 PolarHBondContact O-OG1 2.98Å; F147-T149 VanDerWaalsContact C-N 3.32Å; F147-T149 PolarHBondContact O-N 2.82Å; T149-I153 WeakPolarHBondContact O-CD1 3.5Å; T149-I153 WeakPolarHBondContact O-CG1 3.41Å
150A53.6Low50.7Low54 Ų54115.6 Ų115.645%0.44667%0.67SS.*THydrogen-bonded Turntrans-81.8-25-173.100000114.2F147 A148F147-A150 PolarHBondContact O-N 3.42Å; A148-A150 VanDerWaalsContact C-N 3.34Å
151F47.1Very low51.3Low180 Ų180113.7 Ų113.779%0.78965%0.649SS**SBendtrans-101.46.1-174.2-69.6-72.9000114.9
152N48.6Very low51.4Low108 Ų108111.7 Ų111.758%0.57863%0.632SS**  trans-134.649.1172.8-155.7-107.6000112.2
153I50.4Low51.8Low138 Ų138109.6 Ų109.671%0.70864%0.635SS**  trans-91.1-10.4177.7-72173.7000112.6T149T149-I153 WeakPolarHBondContact O-CD1 3.5Å; T149-I153 WeakPolarHBondContact O-CG1 3.41Å
154N44.7Very low52.2Low149 Ų149108.4 Ų108.480%0.79764%0.642SS**SBendtrans-90.8-25.8-176.8-167.778.5000114.9G156N154-G156 PolarHBondContact O-N 3.21Å
155D47.3Very low53.1Low111 Ų111103.8 Ų103.859%0.59463%0.626SS**SBendtrans-86.894.1178.7-70.8-58.2000110.1R157D155-R157 PolarHBondContact O-N 3.43Å
156G47.2Very low53.9Low73 Ų73106.1 Ų106.175%0.75363%0.634SS**  trans-5993.4177.800000111.4N154 P158N154-G156 PolarHBondContact O-N 3.21Å; G156-P158 WeakPolarHBondContact O-CD 3.19Å; G156-P158 VanDerWaalsContact O-N 3.15Å
157R51.6Low54.2Low228 Ų228106 Ų10686%0.8663%0.63SS**PPolyproline II helixtrans-57.9116.9178.9-172.6174.9-173.5135.95.3109.4D155D155-R157 PolarHBondContact O-N 3.43Å
158P56.9Low55.2Low101 Ų101102.2 Ų102.266%0.65661%0.614SS**PPolyproline II helixtrans-60149.5175.324.6-32.3000109.7G156G156-P158 WeakPolarHBondContact O-CD 3.19Å; G156-P158 VanDerWaalsContact O-N 3.15Å
159P56.8Low56.5Low85 Ų85104.1 Ų104.155%0.55261%0.61SS**PPolyproline II helixtrans-56.8148.3174.426.3-34.1000109.9A161P159-A161 PolarHBondContact O-N 2.72Å
160P57.3Low57.6Low121 Ų121103.8 Ų103.879%0.78661%0.605SS**PPolyproline II helixtrans-54.2128.3178.123.5-33.6000109.6A162P160-A162 PolarHBondContact O-N 2.91Å
161A56.6Low58.6Low21 Ų21106.7 Ų106.717%0.17461%0.609CS.*PPolyproline II helixtrans-56.8135.3-170.900000111.2P159 Q167 H168P159-A161 PolarHBondContact O-N 2.72Å; A161-Q167 HydrophobicContact CB-CB 4.13Å; A161-H168 HydrophobicContact CB-CB 4.14Å; A161-H168 PolarHBondContact O-CD2 3.46Å; A161-H168 VanDerWaalsContact O-CD2 3.27Å
162A59.9Low60.1Low63 Ų63102.5 Ų102.552%0.52159%0.592SS.*PPolyproline II helixtrans-59.3136.4-177.800000110.8P160 G164 T165P160-A162 PolarHBondContact O-N 2.91Å; A162-G164 PolarHBondContact O-N 2.81Å; A162-T165 HydrophobicContact CB-CG2 4.36Å; A162-T165 PolarHBondContact O-N 3.22Å; A162-T165 VanDerWaalsContact O-N 3.13Å; A162-T165 PolarHBondContact O-OG1 2.99Å
163P52.6Low61.8Low120 Ų120104 Ų10478%0.77959%0.594SS**THydrogen-bonded Turntrans-54.8124.7-179.9-27.135000111.8
164G63.6Low63.5Low79 Ų79102.4 Ų102.481%0.81459%0.586SS**THydrogen-bonded Turntrans103.7-5.3-177.500000115.4A162A162-G164 PolarHBondContact O-N 2.81Å
165T71.1Confident65.3Low48 Ų4898.1 Ų98.129%0.29457%0.568SS.*SBendtrans-79.7149.9169.956.10000112A162 Q167 H168A162-T165 HydrophobicContact CB-CG2 4.36Å; A162-T165 PolarHBondContact O-N 3.22Å; A162-T165 VanDerWaalsContact O-N 3.13Å; A162-T165 PolarHBondContact O-OG1 2.99Å; T165-Q167 PolarHBondContact O-N 2.89Å; T165-H168 WeakPolarHBondContact O-CB 3.36Å; T165-H168 PolarHBondContact O-N 3.38Å; T165-H168 VanDerWaalsContact O-N 3.09Å
166P68.4Low67.1Low89 Ų89101.7 Ų101.758%0.57857%0.573SS**Hα-helixtrans-61.5-29.317723.8-33.4000112.9H168 M169 D170P166-H168 PolarHBondContact O-N 3.31Å; P166-M169 WeakPolarHBondContact O-CG 3.38Å; P166-M169 PolarHBondContact O-N 2.74Å; P166-D170 PolarHBondContact O-N 3.31Å
167Q62.3Low69.2Low135 Ų135102.1 Ų102.163%0.63156%0.557SS**Hα-helixtrans-62.8-31.1175.8-61-174.1-7600112.5A161 T165 D170 E171A161-Q167 HydrophobicContact CB-CB 4.13Å; T165-Q167 PolarHBondContact O-N 2.89Å; Q167-D170 PolarHBondContact O-N 3.23Å; Q167-E171 WeakPolarHBondContact O-CB 3.37Å; Q167-E171 WeakPolarHBondContact O-CG 3.37Å; Q167-E171 PolarHBondContact O-N 3.28Å
168H66.8Low71.2Confident59 Ų5998.6 Ų98.627%0.27355%0.549SS..Hα-helixtrans-72.9-28.4179.6-169-87.2000113A161 T165 P166 Q172A161-H168 HydrophobicContact CB-CB 4.14Å; A161-H168 PolarHBondContact O-CD2 3.46Å; A161-H168 VanDerWaalsContact O-CD2 3.27Å; T165-H168 WeakPolarHBondContact O-CB 3.36Å; T165-H168 PolarHBondContact O-N 3.38Å; T165-H168 VanDerWaalsContact O-N 3.09Å; P166-H168 PolarHBondContact O-N 3.31Å; H168-Q172 PolarHBondContact CE1-NE2 3.21Å; H168-Q172 WeakPolarHBondContact O-CB 3.46Å; H168-Q172 VanDerWaalsContact O-CG 3.27Å; H168-Q172 WeakPolarHBondContact O-CG 3.23Å; H168-Q172 PolarHBondContact O-N 3.37Å
169M71.6Confident72.7Confident123 Ų12399.1 Ų99.161%0.60655%0.545SS*.Hα-helixtrans-74.5-36.9172.655.8176.776.700111.5P166 Q172 F173P166-M169 WeakPolarHBondContact O-CG 3.38Å; P166-M169 PolarHBondContact O-N 2.74Å; M169-Q172 PolarHBondContact O-N 3.2Å; M169-F173 PolarHBondContact O-N 2.96Å
170D75.9Confident74.4Confident95 Ų95101.5 Ų101.551%0.50855%0.547SS..Hα-helixtrans-65.8-44.7175.3-64.2-32.4000111.7P166 Q167 Q172 F173 L174P166-D170 PolarHBondContact O-N 3.31Å; Q167-D170 PolarHBondContact O-N 3.23Å; D170-Q172 VanDerWaalsContact C-N 3.32Å; D170-Q172 PolarHBondContact O-N 3.27Å; D170-F173 PolarHBondContact O-N 2.97Å; D170-F173 VanDerWaalsContact O-N 3.15Å; D170-L174 WeakPolarHBondContact O-CB 3.21Å; D170-L174 WeakPolarHBondContact O-CG 3.43Å; D170-L174 PolarHBondContact O-N 2.88Å
171E73.3Confident76.2Confident114 Ų11499 Ų9953%0.53353%0.529SS..Hα-helixtrans-60.9-38.6174.6-68.4-111.8118.900112.3Q167 S175Q167-E171 WeakPolarHBondContact O-CB 3.37Å; Q167-E171 WeakPolarHBondContact O-CG 3.37Å; Q167-E171 PolarHBondContact O-N 3.28Å; E171-S175 WeakPolarHBondContact O-CB 3.42Å; E171-S175 PolarHBondContact O-N 3.48Å; E171-S175 PolarHBondContact O-OG 3.04Å
172Q79.1Confident77.8Confident93 Ų9399.7 Ų99.744%0.43554%0.535SS..Hα-helixtrans-69.1-32.4174.8-78.2-173.8-18.600112.9H168 M169 D170 S175 R176H168-Q172 PolarHBondContact CE1-NE2 3.21Å; H168-Q172 WeakPolarHBondContact O-CB 3.46Å; H168-Q172 VanDerWaalsContact O-CG 3.27Å; H168-Q172 WeakPolarHBondContact O-CG 3.23Å; H168-Q172 PolarHBondContact O-N 3.37Å; M169-Q172 PolarHBondContact O-N 3.2Å; D170-Q172 VanDerWaalsContact C-N 3.32Å; D170-Q172 PolarHBondContact O-N 3.27Å; Q172-S175 WeakPolarHBondContact CA-OG 3.35Å; Q172-S175 PolarHBondContact O-OG 3.44Å; Q172-R176 WeakPolarHBondContact O-CB 3.38Å; Q172-R176 WeakPolarHBondContact O-CD 3.33Å; Q172-R176 VanDerWaalsContact O-CG 3.23Å; Q172-R176 WeakPolarHBondContact O-CG 3.42Å; Q172-R176 PolarHBondContact O-N 3.35Å
173F84.8Confident79.5Confident140 Ų140102.5 Ų102.561%0.61454%0.541SS*.Hα-helixtrans-71.4-48.8173.8-175.8-96.7000111.3M169 D170 S175 R176 L177M169-F173 PolarHBondContact O-N 2.96Å; D170-F173 PolarHBondContact O-N 2.97Å; D170-F173 VanDerWaalsContact O-N 3.15Å; F173-S175 PolarHBondContact O-N 2.94Å; F173-R176 PolarHBondContact O-N 3.47Å; F173-L177 HydrophobicContact CE1-CD2 4.32Å; F173-L177 WeakPolarHBondContact O-CB 3.34Å; F173-L177 PolarHBondContact O-N 2.95Å
174L85.8Confident81.5Confident103 Ų103100.4 Ų100.454%0.53953%0.526SS..Hα-helixtrans-59.2-44.9178.2-76.4162.7000112.4D170 L177 F178D170-L174 WeakPolarHBondContact O-CB 3.21Å; D170-L174 WeakPolarHBondContact O-CG 3.43Å; D170-L174 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.33Å; L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 3.46Å
175S81.7Confident82.9Confident60 Ų60101 Ų10142%0.4251%0.509SS..Hα-helixtrans-65.4-40.6177.552.30000112.9E171 Q172 F173 L179E171-S175 WeakPolarHBondContact O-CB 3.42Å; E171-S175 PolarHBondContact O-N 3.48Å; E171-S175 PolarHBondContact O-OG 3.04Å; Q172-S175 WeakPolarHBondContact CA-OG 3.35Å; Q172-S175 PolarHBondContact O-OG 3.44Å; F173-S175 PolarHBondContact O-N 2.94Å; S175-L179 WeakPolarHBondContact O-CB 3.33Å; S175-L179 WeakPolarHBondContact O-CG 3.27Å; S175-L179 PolarHBondContact O-N 2.87Å
176R85.8Confident83.9Confident186 Ų186103.9 Ų103.970%0.70252%0.521SS*.Hα-helixtrans-64.6-42.9173.5-74.1175.5-178.3-160.72112.1Q172 F173 F180Q172-R176 WeakPolarHBondContact O-CB 3.38Å; Q172-R176 WeakPolarHBondContact O-CD 3.33Å; Q172-R176 VanDerWaalsContact O-CG 3.23Å; Q172-R176 WeakPolarHBondContact O-CG 3.42Å; Q172-R176 PolarHBondContact O-N 3.35Å; F173-R176 PolarHBondContact O-N 3.47Å; R176-F180 WeakPolarHBondContact O-CB 3.31Å; R176-F180 PolarHBondContact O-N 3.28Å
177L91.9Very high85.2Confident82 Ų82106.4 Ų106.443%0.42952%0.523SS..Hα-helixtrans-63.5-45.3177.5-178.164.8000111.4F173 L174 F180 V181F173-L177 HydrophobicContact CE1-CD2 4.32Å; F173-L177 WeakPolarHBondContact O-CB 3.34Å; F173-L177 PolarHBondContact O-N 2.95Å; L174-L177 PolarHBondContact O-N 3.33Å; L177-F180 PolarHBondContact O-N 3.01Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.29Å
178F91.9Very high86.7Confident154 Ų154108.2 Ų108.268%0.67552%0.524SS*.Hα-helixtrans-63-44.7178.5-176-98.6000112.1L174 F180 V181 A182L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 3.46Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.43Å; F178-V181 PolarHBondContact O-N 2.96Å; F178-A182 VanDerWaalsContact O-CB 3.31Å; F178-A182 WeakPolarHBondContact O-CB 3.46Å; F178-A182 PolarHBondContact O-N 3.38Å
179L89.1Confident87.9Confident111 Ų111110 Ų11058%0.58154%0.535SS*.Hα-helixtrans-61.7-40.9174.6-73.6173.4000112S175 A182 L183S175-L179 WeakPolarHBondContact O-CB 3.33Å; S175-L179 WeakPolarHBondContact O-CG 3.27Å; S175-L179 PolarHBondContact O-N 2.87Å; L179-A182 PolarHBondContact O-N 3.21Å; L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 3.27Å
180F93.9Very high88.6Confident135 Ų135111 Ų11159%0.59254%0.542SS*.Hα-helixtrans-62.4-47.9176.2-178.9-97.5000111.9R176 L177 F178 A182 L183 V184R176-F180 WeakPolarHBondContact O-CB 3.31Å; R176-F180 PolarHBondContact O-N 3.28Å; L177-F180 PolarHBondContact O-N 3.01Å; F178-F180 VanDerWaalsContact C-N 3.34Å; F178-F180 PolarHBondContact O-N 3.43Å; F180-A182 PolarHBondContact O-N 2.89Å; F180-L183 PolarHBondContact O-N 2.96Å; F180-V184 HydrophobicContact CD1-CG2 4.39Å; F180-V184 HydrophobicContact CE1-CG2 4.02Å; F180-V184 HydrophobicContact CZ-CG2 4.13Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-V184 PolarHBondContact O-N 3.01Å
181V93.8Very high89.2Confident68 Ų68112.2 Ų112.241%0.41255%0.547SS..Hα-helixtrans-62.3-42.1177171.90000111.3L177 F178 L183 V184 I185L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.29Å; F178-V181 PolarHBondContact O-N 2.96Å; V181-L183 PolarHBondContact O-N 3.47Å; V181-V184 PolarHBondContact O-N 3.43Å; V181-I185 HydrophobicContact CG1-CD1 3.81Å; V181-I185 HydrophobicContact CG1-CG1 4.49Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.07Å
182A91.6Very high89.2Confident36 Ų36112.5 Ų112.530%0.29857%0.569SS.*Hα-helixtrans-61.8-42.1176.400000112.2F178 L179 F180 I185 M186F178-A182 VanDerWaalsContact O-CB 3.31Å; F178-A182 WeakPolarHBondContact O-CB 3.46Å; F178-A182 PolarHBondContact O-N 3.38Å; L179-A182 PolarHBondContact O-N 3.21Å; F180-A182 PolarHBondContact O-N 2.89Å; A182-I185 PolarHBondContact O-N 2.96Å; A182-M186 WeakPolarHBondContact O-CB 3.49Å; A182-M186 WeakPolarHBondContact O-CG 3.29Å; A182-M186 PolarHBondContact O-N 3.4Å
183L93.6Very high89.7Confident123 Ų123113.5 Ų113.564%0.64458%0.576SS**Hα-helixtrans-64.8-39.8175.5-72.5172.3000112.3L179 F180 V181 M186 F187L179-L183 WeakPolarHBondContact O-CB 3.5Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 3.27Å; F180-L183 PolarHBondContact O-N 2.96Å; V181-L183 PolarHBondContact O-N 3.47Å; L183-M186 PolarHBondContact O-N 2.91Å; L183-F187 VanDerWaalsContact O-CB 3.27Å; L183-F187 WeakPolarHBondContact O-CB 3.38Å; L183-F187 PolarHBondContact O-N 2.81Å
184V94.9Very high90Very high76 Ų76112.1 Ų112.146%0.46157%0.574SS.*Hα-helixtrans-63-43.8175170.90000111.2F180 V181 F187 W188F180-V184 HydrophobicContact CD1-CG2 4.39Å; F180-V184 HydrophobicContact CE1-CG2 4.02Å; F180-V184 HydrophobicContact CZ-CG2 4.13Å; F180-V184 WeakPolarHBondContact O-CG2 3.48Å; F180-V184 PolarHBondContact O-N 3.01Å; V181-V184 PolarHBondContact O-N 3.43Å; V184-F187 PolarHBondContact O-N 3.17Å; V184-W188 WeakPolarHBondContact O-CB 3.19Å; V184-W188 PolarHBondContact O-N 3.14Å
185I94.1Very high90.2Very high90 Ų90112.6 Ų112.646%0.46258%0.576SS.*Hα-helixtrans-65-43.5177.2-67.7166.8000111.1V181 A182 W188 L189V181-I185 HydrophobicContact CG1-CD1 3.81Å; V181-I185 HydrophobicContact CG1-CG1 4.49Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.07Å; A182-I185 PolarHBondContact O-N 2.96Å; I185-W188 PolarHBondContact O-N 2.97Å; I185-L189 HydrophobicContact CG2-CD1 3.98Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 WeakPolarHBondContact O-CG 2.95Å; I185-L189 PolarHBondContact O-N 3.16Å
186M92.4Very high90.7Very high110 Ų110115.6 Ų115.654%0.54259%0.585SS.*Hα-helixtrans-65.7-39178.1-68.8-82.480.800112.5A182 L183 L189 L190A182-M186 WeakPolarHBondContact O-CB 3.49Å; A182-M186 WeakPolarHBondContact O-CG 3.29Å; A182-M186 PolarHBondContact O-N 3.4Å; L183-M186 PolarHBondContact O-N 2.91Å; M186-L189 HydrophobicContact CE-CD1 3.75Å; M186-L190 WeakPolarHBondContact O-CB 2.94Å; M186-L190 PolarHBondContact O-N 3.05Å; M186-L190 VanDerWaalsContact O-N 3.14Å
187F95.5Very high91Very high141 Ų141111.3 Ų111.362%0.61858%0.577SS**Hα-helixtrans-65.8-40.5174.5-177.9-104.2000111.8L183 V184 L190 I191L183-F187 VanDerWaalsContact O-CB 3.27Å; L183-F187 WeakPolarHBondContact O-CB 3.38Å; L183-F187 PolarHBondContact O-N 2.81Å; V184-F187 PolarHBondContact O-N 3.17Å; F187-L190 PolarHBondContact O-N 3.23Å; F187-I191 HydrophobicContact CD1-CD1 3.93Å; F187-I191 HydrophobicContact CD2-CD1 4.1Å; F187-I191 HydrophobicContact CE1-CD1 3.45Å; F187-I191 VanDerWaalsContact CE1-CD1 3.45Å; F187-I191 HydrophobicContact CE2-CD1 3.64Å; F187-I191 HydrophobicContact CG-CD1 4.24Å; F187-I191 HydrophobicContact CZ-CD1 3.29Å; F187-I191 PolarHBondContact O-N 3.44Å
188W93.9Very high91Very high173 Ų173113.2 Ų113.266%0.65559%0.587SS**Hα-helixtrans-63.4-44.8175.9-172.176.2000112V184 I185 L190 I191 A192V184-W188 WeakPolarHBondContact O-CB 3.19Å; V184-W188 PolarHBondContact O-N 3.14Å; I185-W188 PolarHBondContact O-N 2.97Å; W188-L190 PolarHBondContact O-N 3.21Å; W188-I191 PolarHBondContact O-N 2.85Å; W188-A192 WeakPolarHBondContact O-CB 3.46Å; W188-A192 PolarHBondContact O-N 3.08Å; W188-A192 VanDerWaalsContact O-N 3.07Å
189L90.4Very high90.9Very high97 Ų97110.3 Ų110.351%0.50858%0.581SS.*THydrogen-bonded Turntrans-70.2-9.4175.3-70.1173.7000114.7I185 M186I185-L189 HydrophobicContact CG2-CD1 3.98Å; I185-L189 WeakPolarHBondContact O-CB 3.43Å; I185-L189 WeakPolarHBondContact O-CG 2.95Å; I185-L189 PolarHBondContact O-N 3.16Å; M186-L189 HydrophobicContact CE-CD1 3.75Å
190L87.6Confident91Very high143 Ų143110.2 Ų110.275%0.74958%0.581SS**THydrogen-bonded Turntrans-93.8-9.8174.1-103.8164.9000113.2M186 F187 W188M186-L190 WeakPolarHBondContact O-CB 2.94Å; M186-L190 PolarHBondContact O-N 3.05Å; M186-L190 VanDerWaalsContact O-N 3.14Å; F187-L190 PolarHBondContact O-N 3.23Å; W188-L190 PolarHBondContact O-N 3.21Å
191I87.3Confident90.8Very high121 Ų121108.2 Ų108.262%0.62158%0.58SS**THydrogen-bonded Turntrans-117.8-21.4-174.6-68.9173.4000111.8F187 W188F187-I191 HydrophobicContact CD1-CD1 3.93Å; F187-I191 HydrophobicContact CD2-CD1 4.1Å; F187-I191 HydrophobicContact CE1-CD1 3.45Å; F187-I191 VanDerWaalsContact CE1-CD1 3.45Å; F187-I191 HydrophobicContact CE2-CD1 3.64Å; F187-I191 HydrophobicContact CG-CD1 4.24Å; F187-I191 HydrophobicContact CZ-CD1 3.29Å; F187-I191 PolarHBondContact O-N 3.44Å; W188-I191 PolarHBondContact O-N 2.85Å
192A74.4Confident90.5Very high120 Ų120111.8 Ų111.899%0.99260%0.595SS**  trans-86.20170.600000112.2W188W188-A192 WeakPolarHBondContact O-CB 3.46Å; W188-A192 PolarHBondContact O-N 3.08Å; W188-A192 VanDerWaalsContact O-N 3.07Å

Retrieved 192 of 192 residues in 438.5 ms (Link to these results)