A0A096NJM1_PAPAN Loading...

E3 ubiquitin-protein ligase RNF

E3 ubiquitin-protein ligase.

AlphaFold DB (A0A2K5W201), UniProt , Accession A0A096NJM1, Species PAPAN (Papio anubis, Olive baboon), 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
1M41.4Very low42.2Very low241 Ų241124.1 Ų124.1100%1.18782%0.82SS**  0119.40-65.8166.7179.400106.5
2A46.3Very low42.8Very low94 Ų94125.1 Ų125.178%0.77783%0.825SS**  trans57.7110.9176.400000116.7
3S39.2Very low42.3Very low119 Ų119128.8 Ų128.883%0.83282%0.824SS**  54.5124.950.5-40.30000112.2
4K40Very low41.7Very low204 Ų204130.1 Ų130.189%0.88782%0.821SS**  cis-176.1138.6-1.5-164.8160.8174178.50103.5
5G36.9Very low41.8Very low68 Ų68127.7 Ų127.770%0.70181%0.811SS**  trans-73-158.316800000111.5
6P58.9Low41.9Very low123 Ų123128.3 Ų128.380%0.79981%0.812SS**  cis-140.1-159.1-14.840.3-19.4000112.7
7S39.5Very low41.9Very low121 Ų121126.5 Ų126.585%0.84681%0.813SS**  trans88.4134.4147.3-85.60000122.9
8A42.5Very low41.6Very low88 Ų88123.7 Ų123.773%0.72781%0.811SS**  trans-71.5153.1160.900000112.8
9S39.8Very low41.6Very low120 Ų120121.1 Ų121.184%0.83981%0.808SS**  160.7144.7128.2-69.30000112.7
10A36.3Very low42.1Very low92 Ų92121 Ų12176%0.7681%0.806SS**  trans86.8113144.700000122
11S43.7Very low42.4Very low95 Ų95121.2 Ų121.266%0.66481%0.81SS**  trans76.3132.7137.4-51.80000120.2
12P49.3Very low42.1Very low136 Ų136113.3 Ų113.388%0.88379%0.79SS**  -119.1149.199.935.2-32.9000113.2
13E36.3Very low42.2Very low174 Ų174113.5 Ų113.581%0.81379%0.786SS**  trans-92.7167178.6-45.6178.8133.900109.8
14N34.5Very low42.5Very low146 Ų146113.5 Ų113.578%0.78179%0.786SS**  trans102.887.5160-138.243000115.2
15S42.3Very low42.8Very low95 Ų95111.1 Ų111.166%0.66478%0.783SS**  74.9127.887.2-59.30000110.4
16T43.9Very low43.4Very low136 Ų136111.4 Ų111.483%0.83479%0.786SS**  cis-159.9152.617.4-43.10000107.5
17A42.3Very low42.5Very low99 Ų99109.7 Ų109.782%0.81878%0.782SS**  trans-62.4162.3174.600000114.2
18G35.2Very low42.5Very low76 Ų76107.2 Ų107.278%0.78478%0.776SS**  trans149.378.6152.200000114.7
19G41.8Very low42.6Very low73 Ų73112.6 Ų112.675%0.75379%0.786SS**  trans-69.8170.6144.700000109.5
20P52.8Low42.7Very low120 Ų120112.3 Ų112.378%0.77978%0.784SS**  cis-143.9175.635.336.6-15000116.1
21S48.3Very low43Very low125 Ų125112 Ų11287%0.87479%0.789SS**  trans45.9109.2148.1-57.60000119.3
22G35.6Very low42.9Very low75 Ų75110.1 Ų110.177%0.77379%0.785SS**  trans-151.283.7168.100000111.8
23S47.1Very low42.8Very low98 Ų98113 Ų11369%0.68579%0.787SS**  trans38.7107.2149.6-57.10000118.8N25S23-N25 PolarHBondContact O-N 2.83Å
24S46.7Very low43.4Very low120 Ų120111.3 Ų111.384%0.83978%0.783SS**  trans-48.7104.8141.450.30000108.9G26S24-G26 PolarHBondContact O-N 3.45Å
25N46.4Very low44.5Very low153 Ų153109.3 Ų109.382%0.81878%0.781SS**  trans-74.569.8166-77.2-17000108.8S23 A27S23-N25 PolarHBondContact O-N 2.83Å; N25-A27 VanDerWaalsContact C-N 3.32Å
26G47.8Very low45.7Very low75 Ų75109.2 Ų109.277%0.77378%0.777SS**  trans-88.879.7145.500000107.3S24S24-G26 PolarHBondContact O-N 3.45Å
27A40.8Very low47.5Very low87 Ų87108.2 Ų108.272%0.71976%0.761SS**  trans-100.2104.6154.100000103.5N25N25-A27 VanDerWaalsContact C-N 3.32Å
28G40.4Very low49.6Very low69 Ų69108.6 Ų108.671%0.71175%0.746SS**  83.956.871.300000109.2S30G28-S30 VanDerWaalsContact C-N 3.28Å; G28-S30 PolarHBondContact O-N 2.85Å
29E43.9Very low52.3Low200 Ų200105 Ų10594%0.93571%0.708SS**  trans-92.971.4163.2-103.9169.397.800108.3G31E29-G31 PolarHBondContact O-N 3.16Å
30S41.7Very low54.6Low114 Ų114105.2 Ų105.280%0.79769%0.692SS**  trans-75113.7158.255.80000108.4G28G28-S30 VanDerWaalsContact C-N 3.28Å; G28-S30 PolarHBondContact O-N 2.85Å
31G42.4Very low56.4Low85 Ų85102.6 Ų102.688%0.87667%0.671SS**SBendtrans68.373.1135.900000116.2E29E29-G31 PolarHBondContact O-N 3.16Å
32G42.5Very low58.4Low56 Ų5699.5 Ų99.558%0.57765%0.649SS**  trans-170.5103.1156.100000106.9D34G32-D34 PolarHBondContact O-N 2.77Å
33Q46.1Very low61Low197 Ų197101.8 Ų101.892%0.92164%0.643SS**  trans-68.365.5155.5-68.4165.572.600106.2S35Q33-S35 PolarHBondContact O-N 3.02Å
34D49.3Very low63Low138 Ų138101.5 Ų101.574%0.73863%0.633SS**  trans-60.1104.1156.8-81.1-27.2000102.4G32 T36G32-D34 PolarHBondContact O-N 2.77Å; D34-T36 PolarHBondContact O-N 3.29Å; D34-T36 PolarHBondContact O-OG1 3.1Å
35S57.6Low64.9Low104 Ų10499.4 Ų99.473%0.72762%0.616SS**  trans-69.476.3174.429.40000105.6Q33 F37Q33-S35 PolarHBondContact O-N 3.02Å; S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 VanDerWaalsContact O-N 3.12Å
36T68.4Low66.7Low94 Ų9492.9 Ų92.958%0.57758%0.583SS**  trans-55.7121.5176-14.60000105.6D34 E38 T45D34-T36 PolarHBondContact O-N 3.29Å; D34-T36 PolarHBondContact O-OG1 3.1Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-T45 HydrophobicContact CG2-CG2 3.87Å
37F80.1Confident68.4Low115 Ų11596.5 Ų96.550%0.50458%0.577SS.*  trans-60.4107.6-179.6-65.2-73.7000108.5S35 A46 L57S35-F37 PolarHBondContact O-N 3.26Å; S35-F37 VanDerWaalsContact O-N 3.12Å; F37-A46 HydrophobicContact CB-CB 4.44Å; F37-A46 VanDerWaalsContact O-CB 3.22Å; F37-A46 WeakPolarHBondContact O-CB 3.44Å; F37-A46 PolarHBondContact O-N 3.04Å; F37-L57 HydrophobicContact CB-CD1 3.76Å; F37-L57 HydrophobicContact CB-CD2 4.07Å; F37-L57 HydrophobicContact CD1-CD1 3.5Å; F37-L57 HydrophobicContact CE1-CD1 4.42Å; F37-L57 HydrophobicContact CG-CD1 3.94Å
38E87.8Confident70.5Confident107 Ų10798.3 Ų98.350%0.558%0.575SS.*BIsolated β-bridgetrans-94.1135.5-177.8-167.2-172.2150.200110.5T36 L43 L57T36-E38 PolarHBondContact O-N 3.14Å; E38-L43 WeakPolarHBondContact OE1-CA 3.24Å; E38-L57 WeakPolarHBondContact O-CD2 3.42Å
39C91.1Very high72.8Confident0 Ų095.5 Ų95.50%055%0.545CS..  trans-81.7125.2175.2170.70000111.5I41 C42 L43 D44 A46 F58 C59C39-I41 PolarHBondContact O-N 3.45Å; C39-I41 PolarHBondContact SG-N 3.01Å; C39-I41 VanDerWaalsContact SG-N 3.36Å; C39-C42 VanDerWaalsContact CB-SG 3.51Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C39-L43 VanDerWaalsContact O-CA 3.27Å; C39-L43 WeakPolarHBondContact O-CA 3.46Å; C39-L43 PolarHBondContact O-N 3Å; C39-D44 PolarHBondContact N-O 2.71Å; C39-A46 HydrophobicContact CB-CB 4.19Å; C39-F58 VanDerWaalsContact SG-CA 3.6Å; C39-C59 WeakPolarHBondContact CB-SG 3.08Å; C39-C59 PolarHBondContact SG-N 3.08Å
40N89.9Confident75.1Confident77 Ų7786.2 Ų86.241%0.41250%0.502SS..THydrogen-bonded Turntrans-69.54.2178.9-67.3-87.3000115.4L57 F58 V78N40-L57 PolarHBondContact N-O 3.37Å; N40-L57 PolarHBondContact ND2-O 3.18Å; N40-F58 HydrophobicContact CB-CD1 4Å; N40-F58 HydrophobicContact CB-CE1 3.62Å; N40-V78 HydrophobicContact CB-CG2 3.78Å
41I90.6Very high77.5Confident66 Ų6682.9 Ų82.934%0.33848%0.475SS..THydrogen-bonded Turntrans-110.2-49.5177.3-65.2162.8000110.5C39 F58 C62 P77C39-I41 PolarHBondContact O-N 3.45Å; C39-I41 PolarHBondContact SG-N 3.01Å; C39-I41 VanDerWaalsContact SG-N 3.36Å; I41-F58 HydrophobicContact CD1-CB 4.32Å; I41-F58 HydrophobicContact CD1-CD1 3.53Å; I41-F58 HydrophobicContact CD1-CE1 4.14Å; I41-F58 HydrophobicContact CD1-CG 4.14Å; I41-F58 HydrophobicContact CG1-CD1 3.65Å; I41-F58 HydrophobicContact CG1-CE1 4.02Å; I41-C62 HydrophobicContact CB-CB 3.9Å; I41-C62 HydrophobicContact CD1-CB 3.75Å; I41-C62 HydrophobicContact CG1-CB 4.44Å; I41-C62 HydrophobicContact CG2-CB 3.87Å; I41-P77 HydrophobicContact CD1-CG 4.16Å; I41-P77 HydrophobicContact CG1-CG 4.23Å
42C90.8Very high79.8Confident60 Ų6078.9 Ų78.941%0.40543%0.433SS..THydrogen-bonded Turntrans-96.4-8.7-179.6660000114.1C39 D44 C59C39-C42 VanDerWaalsContact CB-SG 3.51Å; C39-C42 VanDerWaalsContact SG-SG 3.68Å; C42-D44 PolarHBondContact O-N 3.28Å; C42-C59 VanDerWaalsContact SG-SG 3.7Å
43L90Very high82.1Confident123 Ų12381.9 Ų81.964%0.64444%0.435SS*.  trans54.535.2179.6-51.4178.3000113E38 C39E38-L43 WeakPolarHBondContact OE1-CA 3.24Å; C39-L43 VanDerWaalsContact O-CA 3.27Å; C39-L43 WeakPolarHBondContact O-CA 3.46Å; C39-L43 PolarHBondContact O-N 3Å
44D88.7Confident84.3Confident91 Ų9174.7 Ų74.749%0.48741%0.407SS..SBendtrans-133.6169.8179.8-167.16.4000108.6C39 C42 A46C39-D44 PolarHBondContact N-O 2.71Å; C42-D44 PolarHBondContact O-N 3.28Å; D44-A46 PolarHBondContact O-N 3.27Å
45T86.6Confident86.3Confident76 Ų7670.7 Ų70.747%0.46640%0.398SS..BIsolated β-bridgetrans-53121.3177-57.30000110.2T36 K47T36-T45 HydrophobicContact CG2-CG2 3.87Å; T45-K47 PolarHBondContact O-N 3.29Å; T45-K47 VanDerWaalsContact O-N 3.16Å
46A83.9Confident88Confident16 Ų1667.8 Ų67.813%0.13237%0.373CS..  trans-70.1113.5-172.300000111.6F37 C39 D44 A49 L57 C59F37-A46 HydrophobicContact CB-CB 4.44Å; F37-A46 VanDerWaalsContact O-CB 3.22Å; F37-A46 WeakPolarHBondContact O-CB 3.44Å; F37-A46 PolarHBondContact O-N 3.04Å; C39-A46 HydrophobicContact CB-CB 4.19Å; D44-A46 PolarHBondContact O-N 3.27Å; A46-A49 HydrophobicContact CB-CB 3.84Å; A46-L57 HydrophobicContact CB-CD2 3.39Å; A46-C59 VanDerWaalsContact CA-SG 3.59Å
47K83.2Confident89.1Confident151 Ų15164.2 Ų64.266%0.65735%0.35SS*.THydrogen-bonded Turntrans-88.4131.8170-60.2175.1-172.51730108.2T45 A49 C59T45-K47 PolarHBondContact O-N 3.29Å; T45-K47 VanDerWaalsContact O-N 3.16Å; K47-A49 VanDerWaalsContact C-N 3.35Å; K47-A49 PolarHBondContact O-N 3.27Å; K47-C59 WeakPolarHBondContact O-CA 3.43Å; K47-C59 WeakPolarHBondContact O-CB 3.45Å
48D85.8Confident89.7Confident126 Ų12658.7 Ų58.767%0.67433%0.326SS*.THydrogen-bonded Turntrans49.457.8-172.1-57.1-42.8000111V50 W60D48-V50 PolarHBondContact O-N 3.43Å; D48-W60 HydrophobicContact CB-CB 4Å; D48-W60 PolarHBondContact O-N 3.15Å
49A88.4Confident89.9Confident9 Ų954 Ų547%0.07430%0.304CS..EExtended strand (participates in β ladder)trans-58.5125.8-175.300000110.6A46 K47 L57 F58 L91A46-A49 HydrophobicContact CB-CB 3.84Å; K47-A49 VanDerWaalsContact C-N 3.35Å; K47-A49 PolarHBondContact O-N 3.27Å; A49-L57 HydrophobicContact CB-CD1 4.41Å; A49-L57 HydrophobicContact CB-CD2 4.13Å; A49-L57 HydrophobicContact CB-CG 4.37Å; A49-F58 WeakPolarHBondContact CA-O 3.18Å; A49-L91 HydrophobicContact CB-CB 4.2Å; A49-L91 PolarHBondContact O-N 2.89Å
50V91.4Very high89.9Confident6 Ų658 Ų584%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-118.4135.5173.5-67.40000109.5D48 L57 F58 W60 L63 P90D48-V50 PolarHBondContact O-N 3.43Å; V50-L57 WeakPolarHBondContact O-CA 3.23Å; V50-F58 HydrophobicContact CG2-CB 4.32Å; V50-F58 WeakPolarHBondContact CG2-O 3.34Å; V50-F58 PolarHBondContact N-O 3.04Å; V50-F58 PolarHBondContact O-N 3.4Å; V50-W60 HydrophobicContact CG1-CB 4.13Å; V50-W60 HydrophobicContact CG1-CE3 3.91Å; V50-W60 HydrophobicContact CG2-CE3 4.35Å; V50-L63 HydrophobicContact CG2-CB 4.33Å; V50-L63 HydrophobicContact CG2-CD2 3.75Å; V50-P90 HydrophobicContact CG1-CB 4.48Å
51I92.1Very high90.1Very high44 Ų4457.9 Ų57.923%0.22632%0.323CS..EExtended strand (participates in β ladder)trans-100132.4171.3-76.5-172.3000109.2L57 I89 L91I51-L57 HydrophobicContact CD1-CD1 4.49Å; I51-L57 HydrophobicContact CG1-CB 4.3Å; I51-L57 HydrophobicContact CG1-CD1 4.2Å; I51-L57 HydrophobicContact CG1-CG 4.31Å; I51-I89 PolarHBondContact N-O 3.34Å; I51-I89 PolarHBondContact O-N 3.25Å; I51-L91 HydrophobicContact CB-CG 4.49Å; I51-L91 HydrophobicContact CD1-CD1 3.47Å; I51-L91 VanDerWaalsContact CD1-CD1 3.47Å; I51-L91 HydrophobicContact CD1-CD2 4Å; I51-L91 HydrophobicContact CD1-CG 3.89Å; I51-L91 HydrophobicContact CG1-CD1 3.65Å; I51-L91 HydrophobicContact CG1-CD2 4.38Å; I51-L91 HydrophobicContact CG1-CG 3.85Å
52S91.9Very high90.2Very high1 Ų156.1 Ų56.11%0.00732%0.316CS..  trans-76.7155.3166.4580000111.2C54 G55 H56 I83S52-C54 PolarHBondContact O-N 3.01Å; S52-C54 PolarHBondContact OG-SG 3.35Å; S52-G55 PolarHBondContact O-N 3.29Å; S52-H56 PolarHBondContact N-O 2.91Å; S52-H56 PolarHBondContact OG-N 3.24Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.05Å; S52-I83 VanDerWaalsContact CB-CD1 3.4Å
53L90.8Very high90.3Very high118 Ų11853.3 Ų53.362%0.61830%0.297SS*.THydrogen-bonded Turntrans-56.3-23.1176.9-64.9-179.5000114.1G55 K87 I89L53-G55 VanDerWaalsContact C-N 3.27Å; L53-G55 PolarHBondContact O-N 3.34Å; L53-K87 HydrophobicContact CD1-CB 4Å; L53-K87 HydrophobicContact CD1-CD 4.11Å; L53-K87 HydrophobicContact CG-CB 4.37Å; L53-K87 WeakPolarHBondContact CG-O 3.32Å; L53-I89 HydrophobicContact CD2-CD1 4.2Å
54C92.3Very high90.4Very high47 Ų4749.4 Ų49.432%0.31828%0.276SS..THydrogen-bonded Turntrans-82.74.8174.664.90000114.6S52 H56 C76 C79 A81S52-C54 PolarHBondContact O-N 3.01Å; S52-C54 PolarHBondContact OG-SG 3.35Å; C54-H56 PolarHBondContact SG-ND1 3.17Å; C54-C76 VanDerWaalsContact SG-SG 3.6Å; C54-C79 PolarHBondContact SG-SG 3.02Å; C54-A81 HydrophobicContact CB-CB 3.72Å
55G90.6Very high90.6Very high53 Ų5350.7 Ų50.755%0.54628%0.279SS..SBendtrans870.4174.500000115.9S52 L53S52-G55 PolarHBondContact O-N 3.29Å; L53-G55 VanDerWaalsContact C-N 3.27Å; L53-G55 PolarHBondContact O-N 3.34Å
56H92.8Very high90.9Very high44 Ų4449.9 Ų49.920%0.20427%0.267CS..  trans-84.3138178.2-62.589.3000111.5S52 C54 F58 V78 C79S52-H56 PolarHBondContact N-O 2.91Å; S52-H56 PolarHBondContact OG-N 3.24Å; S52-H56 VanDerWaalsContact OG-N 3.13Å; S52-H56 PolarHBondContact OG-O 3.05Å; C54-H56 PolarHBondContact SG-ND1 3.17Å; H56-F58 HydrophobicContact CB-CE2 3.52Å; H56-F58 HydrophobicContact CB-CZ 3.49Å; H56-F58 VanDerWaalsContact CB-CZ 3.49Å; H56-F58 WeakPolarHBondContact O-CE2 3.46Å; H56-V78 HydrophobicContact CB-CG2 4.46Å; H56-V78 VanDerWaalsContact CD2-CB 3.4Å; H56-V78 WeakPolarHBondContact CD2-CB 3.48Å; H56-V78 VanDerWaalsContact CD2-CG1 3.43Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.46Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.5Å; H56-C79 VanDerWaalsContact CE1-CB 3.47Å; H56-C79 WeakPolarHBondContact CE1-CB 2.98Å; H56-C79 PolarHBondContact CE1-SG 2.96Å; H56-C79 PolarHBondContact ND1-SG 3.42Å
57L91.7Very high91.2Very high18 Ų1849.6 Ų49.69%0.09426%0.263CS..EExtended strand (participates in β ladder)trans-102.5135.4-175.5-167.9149.8000111.6F37 E38 N40 A46 A49 V50 I51 L91F37-L57 HydrophobicContact CB-CD1 3.76Å; F37-L57 HydrophobicContact CB-CD2 4.07Å; F37-L57 HydrophobicContact CD1-CD1 3.5Å; F37-L57 HydrophobicContact CE1-CD1 4.42Å; F37-L57 HydrophobicContact CG-CD1 3.94Å; E38-L57 WeakPolarHBondContact O-CD2 3.42Å; N40-L57 PolarHBondContact N-O 3.37Å; N40-L57 PolarHBondContact ND2-O 3.18Å; A46-L57 HydrophobicContact CB-CD2 3.39Å; A49-L57 HydrophobicContact CB-CD1 4.41Å; A49-L57 HydrophobicContact CB-CD2 4.13Å; A49-L57 HydrophobicContact CB-CG 4.37Å; V50-L57 WeakPolarHBondContact O-CA 3.23Å; I51-L57 HydrophobicContact CD1-CD1 4.49Å; I51-L57 HydrophobicContact CG1-CB 4.3Å; I51-L57 HydrophobicContact CG1-CD1 4.2Å; I51-L57 HydrophobicContact CG1-CG 4.31Å; L57-L91 HydrophobicContact CD1-CD1 3.71Å
58F92.8Very high91.5Very high0 Ų047.5 Ų47.50%026%0.256CS..EExtended strand (participates in β ladder)trans-142.5160.1-179.8-50.4-79.2000111.3C39 N40 I41 A49 V50 H56 L63 P77 V78C39-F58 VanDerWaalsContact SG-CA 3.6Å; N40-F58 HydrophobicContact CB-CD1 4Å; N40-F58 HydrophobicContact CB-CE1 3.62Å; I41-F58 HydrophobicContact CD1-CB 4.32Å; I41-F58 HydrophobicContact CD1-CD1 3.53Å; I41-F58 HydrophobicContact CD1-CE1 4.14Å; I41-F58 HydrophobicContact CD1-CG 4.14Å; I41-F58 HydrophobicContact CG1-CD1 3.65Å; I41-F58 HydrophobicContact CG1-CE1 4.02Å; A49-F58 WeakPolarHBondContact CA-O 3.18Å; V50-F58 HydrophobicContact CG2-CB 4.32Å; V50-F58 WeakPolarHBondContact CG2-O 3.34Å; V50-F58 PolarHBondContact N-O 3.04Å; V50-F58 PolarHBondContact O-N 3.4Å; H56-F58 HydrophobicContact CB-CE2 3.52Å; H56-F58 HydrophobicContact CB-CZ 3.49Å; H56-F58 VanDerWaalsContact CB-CZ 3.49Å; H56-F58 WeakPolarHBondContact O-CE2 3.46Å; F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CD2-CD1 4.12Å; F58-L63 HydrophobicContact CD2-CD2 4.27Å; F58-L63 HydrophobicContact CE2-CD1 4.48Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; F58-P77 HydrophobicContact CE1-CB 4.34Å; F58-P77 HydrophobicContact CE1-CG 3.89Å; F58-P77 HydrophobicContact CZ-CG 4.09Å; F58-V78 HydrophobicContact CE1-CG2 4.14Å; F58-V78 HydrophobicContact CZ-CG2 4.09Å
59C92.2Very high91.7Very high7 Ų745.8 Ų45.85%0.04725%0.25CS..EExtended strand (participates in β ladder)trans-69.6139.7160.6-57.20000109.1C39 C42 A46 K47 P61 C62 L63C39-C59 WeakPolarHBondContact CB-SG 3.08Å; C39-C59 PolarHBondContact SG-N 3.08Å; C42-C59 VanDerWaalsContact SG-SG 3.7Å; A46-C59 VanDerWaalsContact CA-SG 3.59Å; K47-C59 WeakPolarHBondContact O-CA 3.43Å; K47-C59 WeakPolarHBondContact O-CB 3.45Å; C59-P61 HydrophobicContact CB-CG 4.12Å; C59-C62 HydrophobicContact CB-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.42Å; C59-C62 VanDerWaalsContact O-N 3.17Å; C59-L63 PolarHBondContact O-N 3.02Å
60W92.1Very high91.6Very high84 Ų8450.9 Ų50.932%0.31827%0.267SS..Hα-helixtrans-48.6-51.6172177.3-118.1000114.1D48 V50 C62 L63 H64 R85 V88D48-W60 HydrophobicContact CB-CB 4Å; D48-W60 PolarHBondContact O-N 3.15Å; V50-W60 HydrophobicContact CG1-CB 4.13Å; V50-W60 HydrophobicContact CG1-CE3 3.91Å; V50-W60 HydrophobicContact CG2-CE3 4.35Å; W60-C62 VanDerWaalsContact C-N 3.32Å; W60-C62 PolarHBondContact O-N 3.26Å; W60-L63 PolarHBondContact O-N 3.17Å; W60-H64 VanDerWaalsContact O-CB 3.24Å; W60-H64 WeakPolarHBondContact O-CB 3.09Å; W60-H64 PolarHBondContact O-N 2.98Å; W60-R85 HydrophobicContact CH2-CG 3.93Å; W60-V88 HydrophobicContact CE3-CG2 4.36Å; W60-V88 HydrophobicContact CH2-CG2 4.42Å; W60-V88 HydrophobicContact CZ3-CG2 3.6Å
61P92.8Very high91.1Very high76 Ų7654.7 Ų54.749%0.49429%0.292SS..Hα-helixtrans-63.1-35.718023.8-35.3000113.2C59 Q65C59-P61 HydrophobicContact CB-CG 4.12Å; P61-Q65 WeakPolarHBondContact O-CB 3.21Å; P61-Q65 PolarHBondContact O-N 2.76Å
62C93.4Very high90.7Very high29 Ų2960.3 Ų60.320%0.19632%0.323CS..Hα-helixtrans-66.9-45.4178.5-650000111.5I41 C59 W60 W66I41-C62 HydrophobicContact CB-CB 3.9Å; I41-C62 HydrophobicContact CD1-CB 3.75Å; I41-C62 HydrophobicContact CG1-CB 4.44Å; I41-C62 HydrophobicContact CG2-CB 3.87Å; C59-C62 HydrophobicContact CB-CB 4.05Å; C59-C62 PolarHBondContact O-N 3.42Å; C59-C62 VanDerWaalsContact O-N 3.17Å; W60-C62 VanDerWaalsContact C-N 3.32Å; W60-C62 PolarHBondContact O-N 3.26Å; C62-W66 PolarHBondContact O-N 2.96Å
63L92.9Very high90.4Very high0 Ų069.1 Ų69.10%036%0.356CS..Hα-helixtrans-68.4-38.5178.6-175.462000111.6V50 F58 C59 W60 W66 L67 I83 V88V50-L63 HydrophobicContact CG2-CB 4.33Å; V50-L63 HydrophobicContact CG2-CD2 3.75Å; F58-L63 HydrophobicContact CB-CB 4.06Å; F58-L63 HydrophobicContact CD2-CD1 4.12Å; F58-L63 HydrophobicContact CD2-CD2 4.27Å; F58-L63 HydrophobicContact CE2-CD1 4.48Å; F58-L63 HydrophobicContact CG-CD1 4.42Å; C59-L63 PolarHBondContact O-N 3.02Å; W60-L63 PolarHBondContact O-N 3.17Å; L63-W66 WeakPolarHBondContact O-CB 3.41Å; L63-W66 PolarHBondContact O-N 2.93Å; L63-L67 HydrophobicContact CG-CD1 4.21Å; L63-L67 WeakPolarHBondContact O-CG 3.1Å; L63-L67 PolarHBondContact O-N 3.4Å; L63-I83 HydrophobicContact CD1-CD1 4.05Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L63-V88 HydrophobicContact CD2-CG1 3.69Å
64H92Very high90.3Very high42 Ų4266.6 Ų66.619%0.19434%0.341CS..Hα-helixtrans-58.9-52.3176.3-175.1-84.4000111.9W60 W66 L67 E68 R85W60-H64 VanDerWaalsContact O-CB 3.24Å; W60-H64 WeakPolarHBondContact O-CB 3.09Å; W60-H64 PolarHBondContact O-N 2.98Å; H64-W66 PolarHBondContact O-N 3.49Å; H64-L67 PolarHBondContact O-N 2.91Å; H64-L67 VanDerWaalsContact O-N 3.14Å; H64-E68 IonicContact CE1-OE1 3.29Å; H64-E68 PolarHBondContact CE1-OE1 3.14Å; H64-E68 IonicContact CE1-OE2 3.64Å; H64-E68 PolarHBondContact CE1-OE2 3.35Å; H64-E68 VanDerWaalsContact CE1-OE2 3.29Å; H64-E68 VanDerWaalsContact ND1-CD 3.27Å; H64-E68 IonicContact ND1-OE1 3.1Å; H64-E68 PolarHBondContact ND1-OE1 3.47Å; H64-E68 IonicContact ND1-OE2 2.83Å; H64-E68 PolarHBondContact ND1-OE2 2.88Å; H64-E68 VanDerWaalsContact ND1-OE2 3.1Å; H64-E68 IonicContact NE2-OE1 3.45Å; H64-E68 WeakPolarHBondContact O-CG 3.47Å; H64-E68 PolarHBondContact O-N 2.8Å; H64-R85 PolarHBondContact CD2-NH1 3.34Å; H64-R85 PolarHBondContact CD2-NH2 2.81Å; H64-R85 PolarHBondContact NE2-NH1 2.98Å; H64-R85 PolarHBondContact NE2-NH2 2.98Å
65Q93.1Very high90.3Very high118 Ų11866.5 Ų66.555%0.55134%0.339SS*.Hα-helixtrans-56.8-39.5177.3-173.667.125.800111.7P61 T69P61-Q65 WeakPolarHBondContact O-CB 3.21Å; P61-Q65 PolarHBondContact O-N 2.76Å; Q65-T69 WeakPolarHBondContact O-CB 3.17Å; Q65-T69 PolarHBondContact O-N 2.93Å; Q65-T69 PolarHBondContact O-OG1 2.87Å
66W91.9Very high90.4Very high59 Ų5964 Ų6422%0.22331%0.313CS..Hα-helixtrans-62.7-45.7177.5177.9-98.9000112.7C62 L63 H64 T69 R70 V75 P77C62-W66 PolarHBondContact O-N 2.96Å; L63-W66 WeakPolarHBondContact O-CB 3.41Å; L63-W66 PolarHBondContact O-N 2.93Å; H64-W66 PolarHBondContact O-N 3.49Å; W66-T69 PolarHBondContact O-N 3.27Å; W66-R70 VanDerWaalsContact CZ2-NH1 3.28Å; W66-R70 PolarHBondContact O-N 3.21Å; W66-V75 PolarHBondContact NE1-O 2.96Å; W66-P77 HydrophobicContact CD2-CG 4.04Å; W66-P77 HydrophobicContact CG-CG 4.17Å; W66-P77 HydrophobicContact CH2-CB 4.47Å; W66-P77 HydrophobicContact CZ2-CB 4.16Å; W66-P77 HydrophobicContact CZ2-CG 4.19Å
67L90.4Very high90.3Very high10 Ų1063.9 Ų63.95%0.05232%0.316CS..Hα-helixtrans-69.1-34.8180-64.8172.3000112.3L63 H64 R70 Q74 I83 R85L63-L67 HydrophobicContact CG-CD1 4.21Å; L63-L67 WeakPolarHBondContact O-CG 3.1Å; L63-L67 PolarHBondContact O-N 3.4Å; H64-L67 PolarHBondContact O-N 2.91Å; H64-L67 VanDerWaalsContact O-N 3.14Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 PolarHBondContact O-N 3.16Å; L67-Q74 HydrophobicContact CD2-CB 4.2Å; L67-I83 HydrophobicContact CD2-CG2 3.67Å; L67-R85 HydrophobicContact CD1-CB 4.47Å
68E90.6Very high90.3Very high106 Ų10666.3 Ų66.350%0.49533%0.332SS..Hα-helixtrans-70.5-37.5175.9-72.7-176.8149.900112.8H64 R70H64-E68 IonicContact CE1-OE1 3.29Å; H64-E68 PolarHBondContact CE1-OE1 3.14Å; H64-E68 IonicContact CE1-OE2 3.64Å; H64-E68 PolarHBondContact CE1-OE2 3.35Å; H64-E68 VanDerWaalsContact CE1-OE2 3.29Å; H64-E68 VanDerWaalsContact ND1-CD 3.27Å; H64-E68 IonicContact ND1-OE1 3.1Å; H64-E68 PolarHBondContact ND1-OE1 3.47Å; H64-E68 IonicContact ND1-OE2 2.83Å; H64-E68 PolarHBondContact ND1-OE2 2.88Å; H64-E68 VanDerWaalsContact ND1-OE2 3.1Å; H64-E68 IonicContact NE2-OE1 3.45Å; H64-E68 WeakPolarHBondContact O-CG 3.47Å; H64-E68 PolarHBondContact O-N 2.8Å; E68-R70 PolarHBondContact O-N 2.82Å
69T89.4Confident90.2Very high91 Ų9169.1 Ų69.156%0.55835%0.35SS*.Hα-helixtrans-66.3-25177.5-53.40000111.4Q65 W66Q65-T69 WeakPolarHBondContact O-CB 3.17Å; Q65-T69 PolarHBondContact O-N 2.93Å; Q65-T69 PolarHBondContact O-OG1 2.87Å; W66-T69 PolarHBondContact O-N 3.27Å
70R85.9Confident90.2Very high115 Ų11576.6 Ų76.643%0.43438%0.382SS..  trans-134.366.7-172.8-60.2179.7-173.8-1722.7112.1W66 L67 E68 N72 R73W66-R70 VanDerWaalsContact CZ2-NH1 3.28Å; W66-R70 PolarHBondContact O-N 3.21Å; L67-R70 CarbonylContact O-C 3.53Å; L67-R70 PolarHBondContact O-N 3.16Å; E68-R70 PolarHBondContact O-N 2.82Å; R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 3.2Å; R70-R73 CarbonylContact O-C 3.34Å; R70-R73 PolarHBondContact O-N 2.96Å
71P81.9Confident90.1Very high87 Ų8774.4 Ų74.457%0.56538%0.382SS*.THydrogen-bonded Turntrans-62.6-34.1-175.925.3-33.9000112.6R73P71-R73 VanDerWaalsContact C-N 3.28Å; P71-R73 PolarHBondContact O-N 2.8Å
72N83.6Confident89.9Confident161 Ų16174.1 Ų74.186%0.86139%0.392SS*.THydrogen-bonded Turntrans-76.9-10.6178.9-66-29.3000113.9R70R70-N72 VanDerWaalsContact C-N 3.27Å; R70-N72 PolarHBondContact O-N 3.2Å
73R84.2Confident89.7Confident187 Ų18773.4 Ų73.471%0.70639%0.387SS*.  trans-139.178.1-175.8-67.5-171.5-178.4176.21.6110.4R70 P71 V75R70-R73 CarbonylContact O-C 3.34Å; R70-R73 PolarHBondContact O-N 2.96Å; P71-R73 VanDerWaalsContact C-N 3.28Å; P71-R73 PolarHBondContact O-N 2.8Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 2.91Å
74Q89.1Confident89.5Confident65 Ų6574.7 Ų74.730%0.30440%0.396SS..  trans-78.980.8174.9-53.8-108.2-41.500109.6L67 G82 I83L67-Q74 HydrophobicContact CD2-CB 4.2Å; Q74-G82 WeakPolarHBondContact O-CA 3.39Å; Q74-I83 WeakPolarHBondContact CB-O 3.33Å; Q74-I83 PolarHBondContact O-N 3.36Å
75V92.4Very high89.1Confident44 Ų4478 Ų7827%0.26741%0.407SS..BIsolated β-bridgetrans-126.2147.1-177.3-62.60000111.6W66 R73 A81W66-V75 PolarHBondContact NE1-O 2.96Å; R73-V75 VanDerWaalsContact C-N 3.28Å; R73-V75 PolarHBondContact O-N 2.91Å; V75-A81 CarbonylContact C-O 3.36Å; V75-A81 WeakPolarHBondContact CA-O 3.22Å
76C92.8Very high88.7Confident1 Ų179.6 Ų79.61%0.00742%0.419CS..  trans-60.6132.1173.2178.70000110.8C54 V78 C79 K80 A81C54-C76 VanDerWaalsContact SG-SG 3.6Å; C76-V78 PolarHBondContact O-N 3.23Å; C76-V78 PolarHBondContact SG-N 2.81Å; C76-C79 VanDerWaalsContact SG-SG 3.66Å; C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 2.98Å; C76-A81 HydrophobicContact CB-CB 4.49Å; C76-A81 PolarHBondContact N-O 3.4Å
77P90.2Very high88.4Confident41 Ų4183 Ų8327%0.26644%0.435SS..THydrogen-bonded Turntrans-57.8-29.6176.2-22.929.9000114.1I41 F58 W66I41-P77 HydrophobicContact CD1-CG 4.16Å; I41-P77 HydrophobicContact CG1-CG 4.23Å; F58-P77 HydrophobicContact CE1-CB 4.34Å; F58-P77 HydrophobicContact CE1-CG 3.89Å; F58-P77 HydrophobicContact CZ-CG 4.09Å; W66-P77 HydrophobicContact CD2-CG 4.04Å; W66-P77 HydrophobicContact CG-CG 4.17Å; W66-P77 HydrophobicContact CH2-CB 4.47Å; W66-P77 HydrophobicContact CZ2-CB 4.16Å; W66-P77 HydrophobicContact CZ2-CG 4.19Å
78V91.5Very high88.3Confident70 Ų7083.6 Ų83.642%0.42444%0.439SS..THydrogen-bonded Turntrans-91.8-61.8-173.3-172.50000111.2N40 H56 F58 C76N40-V78 HydrophobicContact CB-CG2 3.78Å; H56-V78 HydrophobicContact CB-CG2 4.46Å; H56-V78 VanDerWaalsContact CD2-CB 3.4Å; H56-V78 WeakPolarHBondContact CD2-CB 3.48Å; H56-V78 VanDerWaalsContact CD2-CG1 3.43Å; H56-V78 WeakPolarHBondContact CD2-CG1 3.46Å; H56-V78 WeakPolarHBondContact NE2-CG1 3.5Å; F58-V78 HydrophobicContact CE1-CG2 4.14Å; F58-V78 HydrophobicContact CZ-CG2 4.09Å; C76-V78 PolarHBondContact O-N 3.23Å; C76-V78 PolarHBondContact SG-N 2.81Å
79C91.2Very high88.3Confident58 Ų5882.9 Ų82.939%0.39244%0.438SS..THydrogen-bonded Turntrans-102.7-0.3-173.466.90000114.8C54 H56 C76 A81C54-C79 PolarHBondContact SG-SG 3.02Å; H56-C79 VanDerWaalsContact CE1-CB 3.47Å; H56-C79 WeakPolarHBondContact CE1-CB 2.98Å; H56-C79 PolarHBondContact CE1-SG 2.96Å; H56-C79 PolarHBondContact ND1-SG 3.42Å; C76-C79 VanDerWaalsContact SG-SG 3.66Å; C79-A81 PolarHBondContact O-N 3.1Å; C79-A81 VanDerWaalsContact O-N 3.08Å; C79-A81 VanDerWaalsContact SG-CB 3.56Å
80K92.1Very high88.2Confident165 Ų16581.3 Ų81.372%0.71743%0.429SS*.  trans61.611.8-178.8-46.3-176.2-176-167.80115.5C76C76-K80 WeakPolarHBondContact O-CA 3.45Å; C76-K80 PolarHBondContact O-N 2.98Å
81A89.6Confident88.1Confident37 Ų3778.6 Ų78.631%0.30642%0.423SS..  trans-60.8146.8172.400000111.1C54 V75 C76 C79 I83C54-A81 HydrophobicContact CB-CB 3.72Å; V75-A81 CarbonylContact C-O 3.36Å; V75-A81 WeakPolarHBondContact CA-O 3.22Å; C76-A81 HydrophobicContact CB-CB 4.49Å; C76-A81 PolarHBondContact N-O 3.4Å; C79-A81 PolarHBondContact O-N 3.1Å; C79-A81 VanDerWaalsContact O-N 3.08Å; C79-A81 VanDerWaalsContact SG-CB 3.56Å; A81-I83 PolarHBondContact O-N 3.02Å
82G89.3Confident87.9Confident70 Ų7084.4 Ų84.472%0.72244%0.435SS*.BIsolated β-bridgetrans-61.1122.9174.900000110.6Q74Q74-G82 WeakPolarHBondContact O-CA 3.39Å
83I90.4Very high87.1Confident14 Ų1478.1 Ų78.17%0.07241%0.409CS..  trans-120.3154.5176.2-167.4170.2000108.2S52 L63 L67 Q74 A81 V88S52-I83 VanDerWaalsContact CB-CD1 3.4Å; L63-I83 HydrophobicContact CD1-CD1 4.05Å; L63-I83 HydrophobicContact CD2-CD1 3.89Å; L67-I83 HydrophobicContact CD2-CG2 3.67Å; Q74-I83 WeakPolarHBondContact CB-O 3.33Å; Q74-I83 PolarHBondContact O-N 3.36Å; A81-I83 PolarHBondContact O-N 3.02Å; I83-V88 HydrophobicContact CD1-CG1 3.94Å; I83-V88 HydrophobicContact CG1-CG1 4.15Å
84S86.8Confident86Confident27 Ų2782.2 Ų82.219%0.18942%0.424CS..  trans-140.2150.4169.957.40000108.9D86 K87S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.15Å; S84-K87 PolarHBondContact O-N 3.13Å; S84-K87 WeakPolarHBondContact OG-CB 3.36Å; S84-K87 WeakPolarHBondContact OG-CD 3.43Å; S84-K87 WeakPolarHBondContact OG-CG 3.43Å
85R85.3Confident84.3Confident113 Ų11382.3 Ų82.343%0.42644%0.443SS..G310 helixtrans-52.8-36.7-178.8-169.5-172.3178.9113.32.7113W60 H64 L67 K87 V88W60-R85 HydrophobicContact CH2-CG 3.93Å; H64-R85 PolarHBondContact CD2-NH1 3.34Å; H64-R85 PolarHBondContact CD2-NH2 2.81Å; H64-R85 PolarHBondContact NE2-NH1 2.98Å; H64-R85 PolarHBondContact NE2-NH2 2.98Å; L67-R85 HydrophobicContact CD1-CB 4.47Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-K87 PolarHBondContact O-N 3.01Å; R85-V88 VanDerWaalsContact O-CG2 3.23Å; R85-V88 WeakPolarHBondContact O-CG2 3.27Å
86D84.3Confident82.5Confident151 Ų15183.9 Ų83.981%0.80746%0.455SS*.G310 helixtrans-83.3-7.3-177.5-44.7-69.8000113.9S84S84-D86 PolarHBondContact O-N 2.82Å; S84-D86 VanDerWaalsContact O-N 3.15Å
87K84.8Confident80.8Confident129 Ų12991.2 Ų91.256%0.56150%0.5SS*.G310 helixtrans-11119.1-176.1-64.6-177.7-164.5-179.30113L53 S84 R85L53-K87 HydrophobicContact CD1-CB 4Å; L53-K87 HydrophobicContact CD1-CD 4.11Å; L53-K87 HydrophobicContact CG-CB 4.37Å; L53-K87 WeakPolarHBondContact CG-O 3.32Å; S84-K87 PolarHBondContact O-N 3.13Å; S84-K87 WeakPolarHBondContact OG-CB 3.36Å; S84-K87 WeakPolarHBondContact OG-CD 3.43Å; S84-K87 WeakPolarHBondContact OG-CG 3.43Å; R85-K87 VanDerWaalsContact C-N 3.33Å; R85-K87 PolarHBondContact O-N 3.01Å
88V89.3Confident79.4Confident23 Ų2392.9 Ų92.914%0.13953%0.525CS..  trans-93.1140.9173.5-65.60000110.2W60 L63 I83 R85W60-V88 HydrophobicContact CE3-CG2 4.36Å; W60-V88 HydrophobicContact CH2-CG2 4.42Å; W60-V88 HydrophobicContact CZ3-CG2 3.6Å; L63-V88 HydrophobicContact CD2-CG1 3.69Å; I83-V88 HydrophobicContact CD1-CG1 3.94Å; I83-V88 HydrophobicContact CG1-CG1 4.15Å; R85-V88 VanDerWaalsContact O-CG2 3.23Å; R85-V88 WeakPolarHBondContact O-CG2 3.27Å
89I89.4Confident77.8Confident91 Ų9197.4 Ų97.447%0.46754%0.542SS..EExtended strand (participates in β ladder)trans-105.7113-177.9-57.6169.4000107.2I51 L53I51-I89 PolarHBondContact N-O 3.34Å; I51-I89 PolarHBondContact O-N 3.25Å; L53-I89 HydrophobicContact CD2-CD1 4.2Å
90P88.2Confident76.1Confident59 Ų59103.4 Ų103.438%0.38356%0.564SS.*EExtended strand (participates in β ladder)trans-68.6135.8174.928.3-32.8000110.3V50 Y92V50-P90 HydrophobicContact CG1-CB 4.48Å; P90-Y92 HydrophobicContact CB-CE1 4.48Å; P90-Y92 HydrophobicContact CB-CE2 4.02Å; P90-Y92 HydrophobicContact CG-CE2 3.87Å
91L84.1Confident74.4Confident57 Ų5799.8 Ų99.830%0.29855%0.552SS.*  trans-99118.1173.6-72.1-171.2000110.5A49 I51 L57A49-L91 HydrophobicContact CB-CB 4.2Å; A49-L91 PolarHBondContact O-N 2.89Å; I51-L91 HydrophobicContact CB-CG 4.49Å; I51-L91 HydrophobicContact CD1-CD1 3.47Å; I51-L91 VanDerWaalsContact CD1-CD1 3.47Å; I51-L91 HydrophobicContact CD1-CD2 4Å; I51-L91 HydrophobicContact CD1-CG 3.89Å; I51-L91 HydrophobicContact CG1-CD1 3.65Å; I51-L91 HydrophobicContact CG1-CD2 4.38Å; I51-L91 HydrophobicContact CG1-CG 3.85Å; L57-L91 HydrophobicContact CD1-CD1 3.71Å
92Y76.6Confident72.9Confident209 Ų209102.5 Ų102.582%0.8257%0.567SS**  trans-99.988.5169.3-52.8-71.8000108.1P90P90-Y92 HydrophobicContact CB-CE1 4.48Å; P90-Y92 HydrophobicContact CB-CE2 4.02Å; P90-Y92 HydrophobicContact CG-CE2 3.87Å
93G66.5Low71.4Confident30 Ų30108.7 Ų108.731%0.30957%0.569SS.*  trans-81.6145.8178.700000112.7G95 S96G93-G95 PolarHBondContact O-N 2.92Å; G93-S96 PolarHBondContact O-N 3.25Å
94R61.8Low69.9Low273 Ų273116.9 Ų116.9100%1.0361%0.606SS**THydrogen-bonded Turntrans-64.316.8173.8-85-176164113-2.2115.2
95G53.6Low68.6Low67 Ų67124.6 Ų124.669%0.69164%0.636SS**THydrogen-bonded Turntrans-135.112.8-177.700000113.7G93 T97G93-G95 PolarHBondContact O-N 2.92Å; G95-T97 PolarHBondContact O-N 3.12Å; G95-T97 VanDerWaalsContact O-N 3.14Å
96S54.9Low67.6Low76 Ų76124 Ų12453%0.53165%0.646SS.*  trans-70109.3167.356.40000108.2G93 G98G93-S96 PolarHBondContact O-N 3.25Å; S96-G98 PolarHBondContact O-N 2.91Å
97T56.8Low66.9Low155 Ų155121.9 Ų121.995%0.95164%0.64SS**THydrogen-bonded Turntrans-62.384.6177.7420000109.8G95G95-T97 PolarHBondContact O-N 3.12Å; G95-T97 VanDerWaalsContact O-N 3.14Å
98G61.5Low65.9Low77 Ų77121.7 Ų121.779%0.79465%0.652SS**THydrogen-bonded Turntrans163.6-9.6-179.200000117.1S96S96-G98 PolarHBondContact O-N 2.91Å
99Q56.7Low64.3Low165 Ų165131.6 Ų131.677%0.77169%0.687SS**  trans-98.996.2170-89-151.9-11.100111.1D101Q99-D101 PolarHBondContact O-N 3.18Å
100Q55.5Low63.3Low183 Ų183132.8 Ų132.886%0.85570%0.701SS**  trans-58.3128.7154.7-73.3174.326.800107.9P102Q100-P102 WeakPolarHBondContact O-CD 3.4Å
101D56.2Low62Low89 Ų89138.9 Ų138.948%0.47672%0.724SS.*  trans-62.7115.5176.5-170.2-18.7000109.2Q99 R103 E104Q99-D101 PolarHBondContact O-N 3.18Å; D101-R103 PolarHBondContact O-N 3.22Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 WeakPolarHBondContact OD1-CD 3.47Å; D101-R103 WeakPolarHBondContact OD1-CG 3.04Å; D101-R103 PolarHBondContact OD1-N 3.08Å; D101-E104 PolarHBondContact O-N 3.46Å
102P58.3Low61.3Low94 Ų94139.8 Ų139.861%0.6175%0.747SS**G310 helixtrans-62.2-5.7178.2-22.134.6000114.1Q100 E104 K105 T106Q100-P102 WeakPolarHBondContact O-CD 3.4Å; P102-E104 PolarHBondContact O-N 3Å; P102-K105 PolarHBondContact O-N 2.84Å; P102-T106 PolarHBondContact O-OG1 3.09Å
103R58.6Low60.7Low201 Ų201139 Ų13976%0.75875%0.751SS**G310 helixtrans-71.6-14.5174.5-63.5175.184.2-167.34.6113.5D101 K105D101-R103 PolarHBondContact O-N 3.22Å; D101-R103 WeakPolarHBondContact OD1-CB 3.22Å; D101-R103 WeakPolarHBondContact OD1-CD 3.47Å; D101-R103 WeakPolarHBondContact OD1-CG 3.04Å; D101-R103 PolarHBondContact OD1-N 3.08Å; R103-K105 VanDerWaalsContact C-N 3.33Å
104E59.9Low60.6Low185 Ų185147.9 Ų147.986%0.86478%0.775SS**G310 helixtrans-81.8-10.2172-66.9-164.315900113.4D101 P102D101-E104 PolarHBondContact O-N 3.46Å; P102-E104 PolarHBondContact O-N 3Å
105K59.4Low60.9Low189 Ų189140.2 Ų140.282%0.82276%0.761SS**SBendtrans-1073.7-178.9-161.770.1-176.1-161.90114.2P102 R103P102-K105 PolarHBondContact O-N 2.84Å; R103-K105 VanDerWaalsContact C-N 3.33Å
106T62.5Low61.9Low101 Ų101145.8 Ų145.862%0.6277%0.769SS**SBendtrans-106.5124.1-179.970000111P102P102-T106 PolarHBondContact O-OG1 3.09Å
107P70.8Confident62.2Low107 Ų107146.8 Ų146.870%0.69577%0.774SS**PPolyproline II helixtrans-58.8156.1177.525.2-33.7000111.1R109P107-R109 PolarHBondContact O-N 2.75Å
108P62.8Low62.9Low124 Ų124147.4 Ų147.481%0.80577%0.766SS**PPolyproline II helixtrans-53.4129.7-175.321.2-32.8000111
109R56Low63.1Low232 Ų232150.8 Ų150.888%0.87577%0.766SS**PPolyproline II helixtrans-53.4122.7-178-170.9-178.2-151.3130.74.4109.7P107 Q111P107-R109 PolarHBondContact O-N 2.75Å; R109-Q111 PolarHBondContact O-N 3.08Å
110P67.7Low63.3Low116 Ų116153.8 Ų153.875%0.75377%0.77SS**PPolyproline II helixtrans-57.9138.2172.722.7-30.9000109.3G112P110-G112 PolarHBondContact O-N 3.19Å
111Q61.6Low63.3Low186 Ų186148.1 Ų148.187%0.86976%0.761SS**PPolyproline II helixtrans-59.4131.6179.4-69.1-176.5-8.600109.4R109 Q113R109-Q111 PolarHBondContact O-N 3.08Å; Q111-Q113 PolarHBondContact O-N 3.23Å; Q111-Q113 VanDerWaalsContact O-N 3.08Å
112G70.3Confident63Low77 Ų77147.3 Ų147.379%0.79477%0.774SS**  trans-66.2109.7178.400000110.2P110 R114P110-G112 PolarHBondContact O-N 3.19Å; G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.88Å
113Q62.4Low62.5Low191 Ų191151 Ų15189%0.89378%0.78SS**  trans-70.995.1161.2-78.5-178.7-26.300107.1Q111 P115Q111-Q113 PolarHBondContact O-N 3.23Å; Q111-Q113 VanDerWaalsContact O-N 3.08Å; Q113-P115 WeakPolarHBondContact O-CD 3.25Å
114R65.9Low62.7Low217 Ų217150.8 Ų150.882%0.81979%0.788SS**  trans-82.3104.7167.6-178176.3-173169.11.8106.9G112 E116G112-R114 VanDerWaalsContact C-N 3.31Å; G112-R114 PolarHBondContact O-N 2.88Å; R114-E116 PolarHBondContact O-N 3.26Å
115P68Low62.2Low112 Ų112144.2 Ų144.273%0.72777%0.769SS**PPolyproline II helixtrans-60.1135.316624.7-31.1000108.2Q113Q113-P115 WeakPolarHBondContact O-CD 3.25Å
116E74.4Confident61.2Low185 Ų185142.1 Ų142.186%0.86476%0.761SS**PPolyproline II helixtrans-59.8133.7-179.8-148.6150.886.200108.7R114 E118R114-E116 PolarHBondContact O-N 3.26Å; E116-E118 PolarHBondContact O-N 3.3Å; E116-E118 VanDerWaalsContact O-N 3.1Å
117P61.3Low60.1Low97 Ų97141.1 Ų141.163%0.6377%0.77SS**PPolyproline II helixtrans-61.9119.4178.223.7-30.9000109N119P117-N119 PolarHBondContact O-N 3.36Å; P117-N119 VanDerWaalsContact O-N 3.08Å
118E71.4Confident58.9Low167 Ų167144.9 Ų144.978%0.7878%0.776SS**PPolyproline II helixtrans-47.3116.4173.1-174.5101.583.400109E116 R120E116-E118 PolarHBondContact O-N 3.3Å; E116-E118 VanDerWaalsContact O-N 3.1Å; E118-R120 HydrophobicContact CG-CG 4.44Å; E118-R120 PolarHBondContact O-N 3.01Å
119N65.8Low57.8Low149 Ų149142.4 Ų142.480%0.79777%0.773SS**  trans-68.978.1177.5-171.2-13000109.2P117 G121P117-N119 PolarHBondContact O-N 3.36Å; P117-N119 VanDerWaalsContact O-N 3.08Å; N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 3.19Å; N119-G121 VanDerWaalsContact O-N 3.09Å
120R60.5Low57.5Low227 Ų227139.6 Ų139.686%0.85778%0.775SS**  trans-75.291.3161.3-74.9-176.3117.7101.9-2.9106.5E118E118-R120 HydrophobicContact CG-CG 4.44Å; E118-R120 PolarHBondContact O-N 3.01Å
121G55.3Low56.4Low65 Ų65137.5 Ų137.567%0.6778%0.775SS**  trans-50.4153.7-17800000114.1N119N119-G121 VanDerWaalsContact C-N 3.28Å; N119-G121 PolarHBondContact O-N 3.19Å; N119-G121 VanDerWaalsContact O-N 3.09Å
122G50.8Low55.7Low72 Ų72130.8 Ų130.874%0.74276%0.756SS**  trans130.167.4162.600000115.2Q124G122-Q124 PolarHBondContact O-N 3.28Å; G122-Q124 VanDerWaalsContact O-N 3.15Å
123F46.8Very low54.7Low170 Ų170136 Ų13675%0.74676%0.757SS**  trans-74.394.3155.9179.9-101.5000108.3G125 F126F123-G125 VanDerWaalsContact CE1-C 3.44Å; F123-G125 WeakPolarHBondContact CZ-O 3.43Å; F123-F126 HydrophobicContact CE1-CB 4.27Å; F123-F126 VanDerWaalsContact CE1-N 3.32Å; F123-F126 HydrophobicContact CZ-CB 4.07Å
124Q62.2Low54.2Low198 Ų198135.1 Ų135.193%0.92575%0.753SS**  trans-97.494160.1-70-161.2-32.700107.9G122G122-Q124 PolarHBondContact O-N 3.28Å; G122-Q124 VanDerWaalsContact O-N 3.15Å
125G50.4Low53.6Low46 Ų46131.5 Ų131.547%0.47475%0.747SS.*SBendtrans157.163.5168.100000116.8F123F123-G125 VanDerWaalsContact CE1-C 3.44Å; F123-G125 WeakPolarHBondContact CZ-O 3.43Å
126F38.1Very low53.2Low146 Ų146132.3 Ų132.364%0.6476%0.755SS**  trans-179.690.1134.9-121.1-97.6000108.2F123F123-F126 HydrophobicContact CE1-CB 4.27Å; F123-F126 VanDerWaalsContact CE1-N 3.32Å; F123-F126 HydrophobicContact CZ-CB 4.07Å
127G39.9Very low52.1Low79 Ų79131.8 Ų131.881%0.81475%0.75SS**  trans-84.6118.5165.100000108.5G129G127-G129 PolarHBondContact O-N 3.47Å
128F44.6Very low51.5Low186 Ų186131.1 Ų131.182%0.81676%0.761SS**  trans-66.9116.7176.5-84.7-105000110.9
129G41.3Very low50.5Low73 Ų73131.2 Ų131.275%0.75377%0.765SS**  trans-125.496.6151.500000107.7G127G127-G129 PolarHBondContact O-N 3.47Å
130D48.9Very low49.6Very low172 Ų172127.3 Ų127.392%0.9276%0.76SS**SBendtrans50.6103.4168.5-80.7-35000120.4
131G45.1Very low49.6Very low73 Ų73121 Ų12175%0.75376%0.756SS**  trans100.495.4144.600000118.5
132G47Very low49.1Very low44 Ų44125.6 Ų125.645%0.45476%0.758SS.*  trans56.5112135.500000121.6
133F47.8Very low49.3Very low186 Ų186127.3 Ų127.382%0.81676%0.756SS**  trans40.8103.3144.616.1-95.9000118.5M135F133-M135 PolarHBondContact O-N 3.47Å
134Q53.3Low49.6Very low173 Ų173126.5 Ų126.581%0.80875%0.753SS**  trans-76.787.3166.760.7-168.38.600111.6
135M52.6Low49.2Very low142 Ų142119.1 Ų119.170%0.773%0.729SS**  trans-83.5110.6167.1-62.9-88.3-173.400108.3F133 F137F133-M135 PolarHBondContact O-N 3.47Å; M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 HydrophobicContact CB-CD2 3.96Å; M135-F137 HydrophobicContact CB-CE2 4.33Å; M135-F137 PolarHBondContact O-N 2.71Å
136S59.6Low49.4Very low128 Ų128123 Ų12390%0.89574%0.738SS**  trans-78.283.8171.1-63.20000109.8
137F51Low49.7Very low174 Ų174122.7 Ų122.776%0.76374%0.737SS**PPolyproline II helixtrans-90.9121.7165-90.4-98.3000109M135 I139M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 HydrophobicContact CB-CD2 3.96Å; M135-F137 HydrophobicContact CB-CE2 4.33Å; M135-F137 PolarHBondContact O-N 2.71Å; F137-I139 PolarHBondContact O-N 2.91Å
138G49.7Very low50.1Low83 Ų83123.1 Ų123.186%0.85673%0.732SS**PPolyproline II helixtrans-55.9125172.900000111.3
139I49.7Very low50.5Low170 Ų170118.7 Ų118.787%0.87272%0.721SS**PPolyproline II helixtrans-78.1122.2-170.9-67.8157.7000110.5F137F137-I139 PolarHBondContact O-N 2.91Å
140G47.8Very low51.1Low67 Ų67118.2 Ų118.269%0.69171%0.71SS**  trans-154.770.5162.700000108.6F142G140-F142 PolarHBondContact O-N 2.76Å; G140-F142 VanDerWaalsContact O-N 3.14Å
141A59.8Low51.1Low93 Ų93118.3 Ų118.377%0.76970%0.702SS**  trans-75.793.8-179.500000111
142F45.3Very low51.4Low162 Ų162120.4 Ų120.471%0.71170%0.696SS**  trans-156135.8158.5-120.9-91.7000108.9G140 F144 G145G140-F142 PolarHBondContact O-N 2.76Å; G140-F142 VanDerWaalsContact O-N 3.14Å; F142-F144 HydrophobicContact CD1-CD2 4.41Å; F142-F144 PolarHBondContact O-N 3.42Å; F142-G145 PolarHBondContact O-N 3.36Å
143P54Low51.7Low108 Ų108125.2 Ų125.270%0.70171%0.71SS**THydrogen-bonded Turntrans-66.11.3-172.826.2-34.5000115.1
144F53.5Low51.6Low154 Ų154123.1 Ų123.168%0.67571%0.707SS**THydrogen-bonded Turntrans-106.26.5173.9-57.4-73000113.9F142 I146 F147F142-F144 HydrophobicContact CD1-CD2 4.41Å; F142-F144 PolarHBondContact O-N 3.42Å; F144-I146 PolarHBondContact O-N 2.89Å; F144-F147 PolarHBondContact O-N 3.15Å
145G53.1Low51.5Low42 Ų42120.8 Ų120.843%0.43370%0.7SS.*THydrogen-bonded Turntrans-65.9-0.9-179.700000116.2F142F142-G145 PolarHBondContact O-N 3.36Å
146I54.9Low51.2Low129 Ų129117.6 Ų117.666%0.66270%0.704SS**THydrogen-bonded Turntrans-84.2-13.3174.636.1173.7000113.7F144F144-I146 PolarHBondContact O-N 2.89Å
147F45.7Very low50.9Low139 Ų139122.5 Ų122.561%0.6170%0.703SS**SBendtrans-94.4-19177.4-80.9-81.7000114.6F144 F151F144-F147 PolarHBondContact O-N 3.15Å; F147-F151 HydrophobicContact CD1-CE2 4.42Å
148A47.2Very low51.4Low87 Ų87119.1 Ų119.172%0.71970%0.698SS**SBendtrans-78.9-20.8179.700000113.3
149T52.6Low51.9Low94 Ų94120.5 Ų120.558%0.57769%0.692SS**SBendtrans-96.6-14.3-178.4-14.10000113.4I153T149-I153 WeakPolarHBondContact O-CD1 3.38Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å
150A53.8Low52.4Low63 Ų63118.1 Ų118.152%0.52169%0.688SS.*SBendtrans-92.1-11.5-172.500000115.4
151F49.4Very low53Low173 Ų173116.8 Ų116.876%0.75967%0.67SS**SBendtrans-116.215.6178.9-70.9-72.7000114.8F147F147-F151 HydrophobicContact CD1-CE2 4.42Å
152N52.2Low53.4Low117 Ų117117 Ų11763%0.62666%0.662SS**  trans-144.855.7173.7-138.5-90000112.6
153I52.2Low54.2Low145 Ų145114.3 Ų114.374%0.74466%0.66SS**SBendtrans-1032.1174.9-73.7173.3000112.6T149T149-I153 WeakPolarHBondContact O-CD1 3.38Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å
154N47.1Very low54.9Low143 Ų143113 Ų11377%0.76567%0.667SS**SBendtrans-112.9-11.9179-16369.2000117.5
155D49.7Very low55.9Low123 Ų123108 Ų10866%0.65865%0.649SS**SBendtrans-114.899.7176.6-75.3-61.8000110.2R157D155-R157 PolarHBondContact O-N 3.21Å
156G46.8Very low56.9Low75 Ų75110.5 Ų110.577%0.77366%0.657SS**  trans-50.4106.8172.800000109.4P158G156-P158 WeakPolarHBondContact O-CD 3.5Å
157R54.3Low57.5Low231 Ų231110.3 Ų110.387%0.87265%0.654SS**  trans-57.5113174.7-175.7176-175.5132.10.9107.7D155D155-R157 PolarHBondContact O-N 3.21Å
158P60.6Low59Low103 Ų103108 Ų10867%0.66964%0.641SS**PPolyproline II helixtrans-61.1144.6173.223.8-29.8000108.5G156G156-P158 WeakPolarHBondContact O-CD 3.5Å
159P60.3Low60.5Low113 Ų113107.8 Ų107.873%0.73463%0.631SS**PPolyproline II helixtrans-54.4146.8177.124.3-33.5000109.7A161P159-A161 PolarHBondContact O-N 3.02Å
160P60.2Low61.8Low120 Ų120107.5 Ų107.578%0.77963%0.626SS**PPolyproline II helixtrans-51.7129.3178.421.7-32.3000109.8V162P160-V162 PolarHBondContact O-N 3.21Å
161A61.2Low62.9Low38 Ų38110 Ų11031%0.31463%0.627SS.*PPolyproline II helixtrans-55.7126.8-175.800000110.4P159 Y168P159-A161 PolarHBondContact O-N 3.02Å; A161-Y168 HydrophobicContact CB-CD2 4.14Å
162V67.6Low64.4Low98 Ų98105.4 Ų105.459%0.59461%0.608SS**PPolyproline II helixtrans-66.3132-179.3-176.70000108.6P160 G164 T165P160-V162 PolarHBondContact O-N 3.21Å; V162-G164 PolarHBondContact O-N 3.44Å; V162-T165 HydrophobicContact CB-CG2 4.22Å; V162-T165 PolarHBondContact O-N 3.09Å; V162-T165 PolarHBondContact O-OG1 3.46Å
163P61.8Low66.1Low105 Ų105106.5 Ų106.568%0.68261%0.607SS**THydrogen-bonded Turntrans-52.8125.2177.5-26.334.1000111.4
164G68.5Low67.8Low81 Ų81103.1 Ų103.184%0.83559%0.59SS**THydrogen-bonded Turntrans100.5-1.5-179.900000115.8V162V162-G164 PolarHBondContact O-N 3.44Å
165T75.8Confident69.6Low50 Ų5099.2 Ų99.231%0.30757%0.574SS.*SBendtrans-85.6148.3171.358.50000111.6V162 Q167 Y168V162-T165 HydrophobicContact CB-CG2 4.22Å; V162-T165 PolarHBondContact O-N 3.09Å; V162-T165 PolarHBondContact O-OG1 3.46Å; T165-Q167 PolarHBondContact O-N 2.91Å; T165-Y168 WeakPolarHBondContact O-CB 3.19Å; T165-Y168 PolarHBondContact O-N 3.45Å
166P72.7Confident71.4Confident93 Ų93102.2 Ų102.260%0.60458%0.576SS**Hα-helixtrans-59.6-27.6176.521.9-32.3000112.8Y168 V169 D170P166-Y168 VanDerWaalsContact C-N 3.28Å; P166-Y168 PolarHBondContact O-N 3.18Å; P166-V169 WeakPolarHBondContact O-CG2 3.34Å; P166-V169 PolarHBondContact O-N 3.39Å; P166-D170 PolarHBondContact O-N 3.15Å
167Q67.6Low73.7Confident126 Ų126102.7 Ų102.759%0.58956%0.561SS**Hα-helixtrans-62.6-33.7174.4-62.4-72.5-59.300112.4T165 E171T165-Q167 PolarHBondContact O-N 2.91Å; Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3.32Å; Q167-E171 PolarHBondContact O-N 2.86Å; Q167-E171 VanDerWaalsContact O-N 3.15Å
168Y77.8Confident75.5Confident89 Ų8998.6 Ų98.635%0.34955%0.549SS..Hα-helixtrans-69.5-36.6178.3-179.3-97000112.5A161 T165 P166 Q172A161-Y168 HydrophobicContact CB-CD2 4.14Å; T165-Y168 WeakPolarHBondContact O-CB 3.19Å; T165-Y168 PolarHBondContact O-N 3.45Å; P166-Y168 VanDerWaalsContact C-N 3.28Å; P166-Y168 PolarHBondContact O-N 3.18Å; Y168-Q172 HydrophobicContact CD1-CG 4.37Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 2.94Å; Y168-Q172 VanDerWaalsContact O-N 3.09Å; Y168-Q172 PolarHBondContact OH-NE2 3.18Å
169V78Confident77Confident83 Ų8399.3 Ų99.350%0.50355%0.547SS..Hα-helixtrans-72.2-36179.6-60.40000111.6P166 Q172 F173P166-V169 WeakPolarHBondContact O-CG2 3.34Å; P166-V169 PolarHBondContact O-N 3.39Å; V169-Q172 PolarHBondContact O-N 3.32Å; V169-F173 WeakPolarHBondContact O-CB 3.49Å; V169-F173 PolarHBondContact O-N 2.91Å
170D79.7Confident78.7Confident89 Ų89100.4 Ų100.448%0.47654%0.54SS..Hα-helixtrans-66.6-43.8176-66.3-30.1000111.3P166 Q172 F173 L174P166-D170 PolarHBondContact O-N 3.15Å; D170-Q172 PolarHBondContact O-N 2.91Å; D170-F173 PolarHBondContact O-N 2.85Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 WeakPolarHBondContact O-CG 2.97Å; D170-L174 PolarHBondContact O-N 3.02Å
171E77.9Confident80.3Confident116 Ų11697.9 Ų97.954%0.54252%0.523SS..Hα-helixtrans-63.2-38.2175.6-71.5-73.115000112.6Q167 S175Q167-E171 WeakPolarHBondContact O-CB 3.49Å; Q167-E171 WeakPolarHBondContact O-CG 3.32Å; Q167-E171 PolarHBondContact O-N 2.86Å; Q167-E171 VanDerWaalsContact O-N 3.15Å; E171-S175 WeakPolarHBondContact O-CB 3.4Å; E171-S175 PolarHBondContact O-N 3.03Å; E171-S175 PolarHBondContact O-OG 3.23Å
172Q80.6Confident81.8Confident76 Ų7698.3 Ų98.336%0.35553%0.527SS..Hα-helixtrans-67.8-36.3174.5-77.5-166.6-26.500112.6Y168 V169 D170 S175 R176Y168-Q172 HydrophobicContact CD1-CG 4.37Å; Y168-Q172 HydrophobicContact CE1-CG 4.05Å; Y168-Q172 WeakPolarHBondContact O-CG 3.38Å; Y168-Q172 PolarHBondContact O-N 2.94Å; Y168-Q172 VanDerWaalsContact O-N 3.09Å; Y168-Q172 PolarHBondContact OH-NE2 3.18Å; V169-Q172 PolarHBondContact O-N 3.32Å; D170-Q172 PolarHBondContact O-N 2.91Å; Q172-S175 WeakPolarHBondContact CA-OG 3.5Å; Q172-S175 PolarHBondContact O-OG 3.49Å; Q172-R176 WeakPolarHBondContact O-CB 3.13Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 2.93Å
173F87.8Confident83.1Confident140 Ų14099.5 Ų99.561%0.61453%0.529SS*.Hα-helixtrans-67.9-47.8175.9-178.4-97.7000111.2V169 D170 R176 L177V169-F173 WeakPolarHBondContact O-CB 3.49Å; V169-F173 PolarHBondContact O-N 2.91Å; D170-F173 PolarHBondContact O-N 2.85Å; F173-R176 PolarHBondContact O-N 3.35Å; F173-L177 WeakPolarHBondContact O-CB 3.38Å; F173-L177 PolarHBondContact O-N 3.03Å
174L87.8Confident84.7Confident74 Ų7498.2 Ų98.239%0.38752%0.519SS..Hα-helixtrans-59.7-48177.4-73167.2000111.4D170 R176 L177 F178D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 WeakPolarHBondContact O-CG 2.97Å; D170-L174 PolarHBondContact O-N 3.02Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.05Å; L174-L177 PolarHBondContact O-N 3.3Å; L174-F178 HydrophobicContact CB-CD2 4.4Å; L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 HydrophobicContact CD2-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 WeakPolarHBondContact O-CD2 3.13Å; L174-F178 PolarHBondContact O-N 3.08Å
175S84.6Confident86Confident60 Ų6098.6 Ų98.642%0.4250%0.501SS..Hα-helixtrans-60.9-40.3178.554.80000112.8E171 Q172 L179E171-S175 WeakPolarHBondContact O-CB 3.4Å; E171-S175 PolarHBondContact O-N 3.03Å; E171-S175 PolarHBondContact O-OG 3.23Å; Q172-S175 WeakPolarHBondContact CA-OG 3.5Å; Q172-S175 PolarHBondContact O-OG 3.49Å; S175-L179 VanDerWaalsContact O-CG 3.32Å; S175-L179 WeakPolarHBondContact O-CG 3.36Å; S175-L179 PolarHBondContact O-N 3.46Å; S175-L179 VanDerWaalsContact O-N 3.08Å
176R88.4Confident86.8Confident186 Ų186101.6 Ų101.670%0.70251%0.513SS*.Hα-helixtrans-65.9-41.1173.9-74.2180-179.8-164.11.8112.5Q172 F173 L174 F180Q172-R176 WeakPolarHBondContact O-CB 3.13Å; Q172-R176 VanDerWaalsContact O-CG 3.32Å; Q172-R176 WeakPolarHBondContact O-CG 3.32Å; Q172-R176 PolarHBondContact O-N 2.93Å; F173-R176 PolarHBondContact O-N 3.35Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-R176 PolarHBondContact O-N 3.05Å; R176-F180 WeakPolarHBondContact O-CB 3.3Å; R176-F180 PolarHBondContact O-N 2.98Å
177L94Very high87.9Confident85 Ų85103.7 Ų103.745%0.44551%0.513SS..Hα-helixtrans-64-46.7177.7-17670.9000111.3F173 L174 L179 F180 V181F173-L177 WeakPolarHBondContact O-CB 3.38Å; F173-L177 PolarHBondContact O-N 3.03Å; L174-L177 PolarHBondContact O-N 3.3Å; L177-L179 PolarHBondContact O-N 3.27Å; L177-F180 PolarHBondContact O-N 3.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 3.01Å
178F93.1Very high89.2Confident145 Ų145106.1 Ų106.164%0.63652%0.517SS*.Hα-helixtrans-61.3-44.4177.9-84.6-67.5000112.1L174 F180 V181 A182L174-F178 HydrophobicContact CB-CD2 4.4Å; L174-F178 HydrophobicContact CB-CE2 4.44Å; L174-F178 HydrophobicContact CD2-CE2 4.43Å; L174-F178 WeakPolarHBondContact O-CB 3.36Å; L174-F178 WeakPolarHBondContact O-CD2 3.13Å; L174-F178 PolarHBondContact O-N 3.08Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.4Å; F178-V181 PolarHBondContact O-N 3.42Å; F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.29Å; F178-A182 PolarHBondContact O-N 2.99Å
179L91.7Very high89.9Confident119 Ų119106.8 Ų106.862%0.62353%0.526SS*.Hα-helixtrans-61.5-41.5175.4-73.3176000111.8S175 L177 A182 L183S175-L179 VanDerWaalsContact O-CG 3.32Å; S175-L179 WeakPolarHBondContact O-CG 3.36Å; S175-L179 PolarHBondContact O-N 3.46Å; S175-L179 VanDerWaalsContact O-N 3.08Å; L177-L179 PolarHBondContact O-N 3.27Å; L179-A182 PolarHBondContact O-N 3.24Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.01Å
180F95.2Very high90.4Very high135 Ų135109.5 Ų109.559%0.59254%0.536SS*.Hα-helixtrans-63.1-48.1177.1-178.4-97.9000112.1R176 L177 F178 A182 L183 V184R176-F180 WeakPolarHBondContact O-CB 3.3Å; R176-F180 PolarHBondContact O-N 2.98Å; L177-F180 PolarHBondContact O-N 3.46Å; F178-F180 VanDerWaalsContact C-N 3.33Å; F178-F180 PolarHBondContact O-N 3.4Å; F180-A182 VanDerWaalsContact C-N 3.32Å; F180-A182 PolarHBondContact O-N 3.43Å; F180-L183 PolarHBondContact O-N 2.9Å; F180-V184 HydrophobicContact CD1-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 3.91Å; F180-V184 HydrophobicContact CZ-CG2 4.06Å; F180-V184 WeakPolarHBondContact O-CG2 3.2Å; F180-V184 PolarHBondContact O-N 3.44Å
181V94.8Very high90.8Very high67 Ų67111 Ų11141%0.40654%0.543SS..Hα-helixtrans-61-42.5177.3172.50000111L177 F178 L183 V184 I185L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 3.01Å; F178-V181 PolarHBondContact O-N 3.42Å; V181-L183 PolarHBondContact O-N 3.46Å; V181-V184 PolarHBondContact O-N 3.44Å; V181-I185 HydrophobicContact CG1-CD1 3.84Å; V181-I185 HydrophobicContact CG1-CG1 4.48Å; V181-I185 WeakPolarHBondContact O-CG1 3.38Å; V181-I185 PolarHBondContact O-N 2.89Å
182A93.2Very high90.7Very high48 Ų48111 Ų11140%0.39756%0.563SS.*Hα-helixtrans-61-42.8176.700000112F178 L179 F180 I185 M186F178-A182 VanDerWaalsContact O-CB 3.29Å; F178-A182 WeakPolarHBondContact O-CB 3.29Å; F178-A182 PolarHBondContact O-N 2.99Å; L179-A182 PolarHBondContact O-N 3.24Å; F180-A182 VanDerWaalsContact C-N 3.32Å; F180-A182 PolarHBondContact O-N 3.43Å; A182-I185 PolarHBondContact O-N 3.14Å; A182-M186 WeakPolarHBondContact O-CB 3.41Å; A182-M186 VanDerWaalsContact O-CG 3.22Å; A182-M186 WeakPolarHBondContact O-CG 3.22Å; A182-M186 PolarHBondContact O-N 3.37Å
183L94.8Very high91.2Very high122 Ų122112.8 Ų112.864%0.63957%0.574SS**Hα-helixtrans-64.7-39.5176.5-71.3175.2000112.4L179 F180 V181 M186 F187L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.01Å; F180-L183 PolarHBondContact O-N 2.9Å; V181-L183 PolarHBondContact O-N 3.46Å; L183-M186 PolarHBondContact O-N 3.26Å; L183-F187 VanDerWaalsContact O-CB 3.29Å; L183-F187 WeakPolarHBondContact O-CB 3.35Å; L183-F187 PolarHBondContact O-N 2.99Å
184V95.3Very high91.4Very high78 Ų78111.3 Ų111.347%0.47357%0.571SS.*Hα-helixtrans-63.2-44.1175.9171.50000111.2F180 V181 F187 W188F180-V184 HydrophobicContact CD1-CG2 4.29Å; F180-V184 HydrophobicContact CE1-CG2 3.91Å; F180-V184 HydrophobicContact CZ-CG2 4.06Å; F180-V184 WeakPolarHBondContact O-CG2 3.2Å; F180-V184 PolarHBondContact O-N 3.44Å; V181-V184 PolarHBondContact O-N 3.44Å; V184-F187 PolarHBondContact O-N 2.87Å; V184-W188 WeakPolarHBondContact O-CB 3.38Å; V184-W188 PolarHBondContact O-N 3.46Å
185I94.9Very high91.6Very high90 Ų90113.4 Ų113.446%0.46258%0.582SS.*Hα-helixtrans-64.4-45.6177.5-67.6168000110.7V181 A182 F187 W188 L189V181-I185 HydrophobicContact CG1-CD1 3.84Å; V181-I185 HydrophobicContact CG1-CG1 4.48Å; V181-I185 WeakPolarHBondContact O-CG1 3.38Å; V181-I185 PolarHBondContact O-N 2.89Å; A182-I185 PolarHBondContact O-N 3.14Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 PolarHBondContact O-N 3.24Å; I185-W188 PolarHBondContact O-N 3.06Å; I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.48Å; I185-L189 WeakPolarHBondContact O-CG 3.29Å; I185-L189 PolarHBondContact O-N 2.93Å
186M93Very high92Very high113 Ų113116.5 Ų116.556%0.55759%0.591SS**Hα-helixtrans-61.8-41.5178-73.8-65.9-64.200112.2A182 L183 L189 L190A182-M186 WeakPolarHBondContact O-CB 3.41Å; A182-M186 VanDerWaalsContact O-CG 3.22Å; A182-M186 WeakPolarHBondContact O-CG 3.22Å; A182-M186 PolarHBondContact O-N 3.37Å; L183-M186 PolarHBondContact O-N 3.26Å; M186-L189 PolarHBondContact O-N 2.94Å; M186-L190 WeakPolarHBondContact O-CG 3.44Å; M186-L190 PolarHBondContact O-N 2.93Å; M186-L190 VanDerWaalsContact O-N 3.11Å
187F96.1Very high92.2Very high137 Ų137112.2 Ų112.260%0.60158%0.584SS**Hα-helixtrans-65.8-40.7176-178.1-104.3000111.9L183 V184 I185 L190 I191L183-F187 VanDerWaalsContact O-CB 3.29Å; L183-F187 WeakPolarHBondContact O-CB 3.35Å; L183-F187 PolarHBondContact O-N 2.99Å; V184-F187 PolarHBondContact O-N 2.87Å; I185-F187 VanDerWaalsContact C-N 3.34Å; I185-F187 PolarHBondContact O-N 3.24Å; F187-L190 PolarHBondContact O-N 3.11Å; F187-I191 HydrophobicContact CD1-CD1 3.8Å; F187-I191 HydrophobicContact CD2-CD1 4.02Å; F187-I191 HydrophobicContact CE1-CD1 3.28Å; F187-I191 HydrophobicContact CE2-CD1 3.52Å; F187-I191 HydrophobicContact CG-CD1 4.16Å; F187-I191 HydrophobicContact CZ-CD1 3.14Å; F187-I191 PolarHBondContact O-N 3.28Å
188W94.8Very high92.1Very high177 Ų177114 Ų11467%0.6759%0.594SS**Hα-helixtrans-62.5-43.5175.9-171.175.6000112V184 I185 L190 I191 A192V184-W188 WeakPolarHBondContact O-CB 3.38Å; V184-W188 PolarHBondContact O-N 3.46Å; I185-W188 PolarHBondContact O-N 3.06Å; W188-L190 VanDerWaalsContact C-N 3.27Å; W188-L190 PolarHBondContact O-N 3.33Å; W188-I191 PolarHBondContact O-N 3.23Å; W188-A192 WeakPolarHBondContact O-CB 3.48Å; W188-A192 PolarHBondContact O-N 3.36Å
189L91.7Very high92Very high103 Ų103111.8 Ų111.854%0.53959%0.591SS.*Hα-helixtrans-68-21.1175.7-71.1176.7000114.3I185 M186I185-L189 HydrophobicContact CG2-CD1 4.13Å; I185-L189 HydrophobicContact CG2-CG 4.48Å; I185-L189 WeakPolarHBondContact O-CG 3.29Å; I185-L189 PolarHBondContact O-N 2.93Å; M186-L189 PolarHBondContact O-N 2.94Å
190L89.1Confident92Very high139 Ų139111.2 Ų111.273%0.72859%0.588SS**Hα-helixtrans-84-17.2176.6-85.7165.6000113.2M186 F187 W188M186-L190 WeakPolarHBondContact O-CG 3.44Å; M186-L190 PolarHBondContact O-N 2.93Å; M186-L190 VanDerWaalsContact O-N 3.11Å; F187-L190 PolarHBondContact O-N 3.11Å; W188-L190 VanDerWaalsContact C-N 3.27Å; W188-L190 PolarHBondContact O-N 3.33Å
191I87.6Confident91.8Very high120 Ų120109.3 Ų109.362%0.61559%0.588SS**Hα-helixtrans-106.4-23.4-177.1-72.1166000112.2F187 W188F187-I191 HydrophobicContact CD1-CD1 3.8Å; F187-I191 HydrophobicContact CD2-CD1 4.02Å; F187-I191 HydrophobicContact CE1-CD1 3.28Å; F187-I191 HydrophobicContact CE2-CD1 3.52Å; F187-I191 HydrophobicContact CG-CD1 4.16Å; F187-I191 HydrophobicContact CZ-CD1 3.14Å; F187-I191 PolarHBondContact O-N 3.28Å; W188-I191 PolarHBondContact O-N 3.23Å
192A75.9Confident91.5Very high117 Ų117113.1 Ų113.197%0.96760%0.604SS**  trans-81.70171.400000111.7W188W188-A192 WeakPolarHBondContact O-CB 3.48Å; W188-A192 PolarHBondContact O-N 3.36Å

Retrieved 192 of 192 residues in 461.7 ms (Link to these results)