A0A087X7U1_POEFO Loading...

Phosphatidylinositol-4,5-bisphosphate 4-phosphatase

Catalyzes the hydrolysis of phosphatidylinositol-4,5-bisphosphate (PtdIns-4,5-P2) to phosphatidylinositol-4-phosphate (PtdIns-4-P).

AlphaFold DB , UniProt , Accession A0A087X7U1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1M35.8Very low37.9Very low243 Ų243150.9 Ų150.9100%1.19781%0.805SS**  079.70-66.3177.5175.500105.1
2A39Very low37.2Very low79 Ų79152.3 Ų152.365%0.65380%0.803SS**  98.6104.395.900000107.2
3D38.2Very low36.8Very low149 Ų149151.2 Ų151.280%0.79779%0.791SS**  69.8142.899.6-57.7-43.7000110
4E39.1Very low36.3Very low157 Ų157149.4 Ų149.473%0.73478%0.776SS**  cis-17613417.1-132.6168.160.800103.3
5E31.3Very low35.8Very low153 Ų153152.1 Ų152.172%0.71577%0.774SS**  74.7119.9110.3-167.6168.8120.400117.5
6R35Very low35.4Very low220 Ų220147.8 Ų147.883%0.8377%0.768SS**  162.7105112.1-158165.4-168.9131.9-2.1112.7
7S39.9Very low35.1Very low108 Ų108145.5 Ų145.576%0.75576%0.762SS**  trans-95.3-171.6143.8-57.80000107.5
8P51.1Low34.8Very low114 Ų114145.9 Ų145.974%0.7477%0.765SS**  cis-134.1-169-16.328.7-4.3000112
9L30.6Very low34.4Very low166 Ų166142.1 Ų142.187%0.86977%0.765SS**  172109.9126.2-83.8-174.7000111.7
10L35.8Very low34Very low159 Ų159145.3 Ų145.383%0.83277%0.772SS**  trans-78.8173.2146.7-90.6168.1000107.9
11P40.9Very low34.2Very low112 Ų112147.4 Ų147.473%0.72778%0.775SS**  cis-151.1-179.130.836.3-10.8000118.4
12E30.3Very low34.7Very low167 Ų167140.2 Ų140.278%0.7875%0.746SS**  trans-24.5173.2152.9-158.7175.8107.900118.6
13Q31.8Very low34.6Very low139 Ų139143.7 Ų143.765%0.6575%0.749SS**  trans106130.8150.4-139.3153.34.800113.2
14Q28.9Very low34.3Very low126 Ų126146.1 Ų146.159%0.58975%0.747SS**  cis-178.3165.919.7-137.61666.500111.5
15Y29.2Very low34Very low190 Ų190143.3 Ų143.375%0.74575%0.745SS**  trans74.8119.5145-83.8-57.8000120.7
16A29.1Very low34.1Very low82 Ų82141.4 Ų141.468%0.67875%0.748SS**  105.3146.69500000109
17T29.9Very low33.9Very low109 Ų109135 Ų13567%0.66975%0.751SS**  cis178.7138.71.4-94.90000105
18N29.9Very low33.4Very low153 Ų153133.3 Ų133.382%0.81875%0.751SS**  trans54.4135.3148.2-55.3-12.4000124
19G28.2Very low32.5Very low74 Ų74138.8 Ų138.876%0.76376%0.758SS**  101.2147127.400000113.9
20F26.9Very low33.3Very low205 Ų205136.2 Ų136.290%0.89975%0.752SS**  cis-168.1132.9-0.7-163.2-111.5000103.6
21F36.8Very low33.3Very low190 Ų190137.2 Ų137.283%0.83375%0.752SS**  trans-64.9174.2160.9-78.9-84.9000108.8
22P47.4Very low32.9Very low92 Ų92136.6 Ų136.660%0.59775%0.751SS**  cis-153.8-174.327.136.4-11000117.5
23Q35.3Very low33.3Very low152 Ų152136.2 Ų136.271%0.7175%0.752SS**  trans76.5147.1136.4-98.8178.3-10.800118.7
24R33Very low33.5Very low200 Ų200135.4 Ų135.476%0.75576%0.756SS**  cis-169.1139.42.7-157.7162-170.7-162.3-1.6106.6
25S32.7Very low34.3Very low98 Ų98134.9 Ų134.969%0.68576%0.764SS**  trans45.1151.2132.8-49.40000120.2
26S32.9Very low34.7Very low113 Ų113135 Ų13579%0.7977%0.769SS**  cis175.2152.517.223.90000108.6
27G30.8Very low35.4Very low85 Ų85136.3 Ų136.388%0.87677%0.77SS**  trans78.2142.4149.300000114.8
28G30.7Very low36.1Very low74 Ų74136.8 Ų136.876%0.76378%0.778SS**  cis151.2117.715.900000105.9
29Y31.7Very low36.5Very low228 Ų228140.1 Ų140.189%0.89478%0.781SS**  trans-61.6169.7173-57.8-83.9000111.1
30P47.3Very low37.4Very low112 Ų112142.8 Ų142.873%0.72778%0.782SS**  cis-154.4-179.631.242.7-19.7000119.7
31Q36Very low38.5Very low180 Ų180138.2 Ų138.284%0.84177%0.773SS**  trans67.9118.3153.1-63.1-130.218.900120.5
32S32.8Very low38.9Very low100 Ų100134.8 Ų134.870%0.69977%0.77SS**  170.1127.8108.458.20000113.4
33I38.1Very low38.7Very low159 Ų159136.1 Ų136.182%0.81578%0.781SS**  trans64.9110.4137.1-61159.9000118.7
34V36.7Very low38.9Very low121 Ų121138 Ų13873%0.73379%0.79SS**  trans-74.1143.3161.6-130.40000109.4
35P44.2Very low39.7Very low115 Ų115132.4 Ų132.475%0.74779%0.786SS**  -139.4147.496.421.6-0.4000114.3
36F38.7Very low40.9Very low193 Ų193133.2 Ų133.285%0.84679%0.789SS**  trans-39.1145.3177.9-72.9-98.5000116.2
37P43.3Very low41.8Very low109 Ų109133.3 Ų133.371%0.70879%0.787SS**  trans-125.1141131.630.8-18.1000112.2Y39P37-Y39 PolarHBondContact O-N 3.42Å
38S44Very low42.5Very low119 Ų119135.3 Ų135.383%0.83279%0.785SS**  trans-44.6124.1170.7-60.80000112.2
39Y39.4Very low42.9Very low223 Ų223140.8 Ų140.888%0.87578%0.784SS**  trans-132.1117.8161-116-93.6000109.2P37P37-Y39 PolarHBondContact O-N 3.42Å
40V47.3Very low43.7Very low130 Ų130134.7 Ų134.779%0.78878%0.775SS**PPolyproline II helixtrans-65.6122.4173176.10000108.1
41P49.9Very low43.8Very low109 Ų109135.4 Ų135.471%0.70878%0.779SS**PPolyproline II helixtrans-76.5137.1171.728.6-30.5000110.3
42P45.3Very low44.2Very low119 Ų119134.7 Ų134.777%0.77378%0.776SS**PPolyproline II helixtrans-69.7146.2173.830-31.8000110.1E44P42-E44 PolarHBondContact O-N 3.48Å; P42-E44 VanDerWaalsContact O-N 3.13Å
43S43.3Very low44.4Very low120 Ų120132.7 Ų132.784%0.83977%0.771SS**  trans-48113.2-179.859.10000112.4A45S43-A45 PolarHBondContact O-N 3.28Å
44E38Very low44.2Very low191 Ų191129.7 Ų129.789%0.89376%0.764SS**PPolyproline II helixtrans-73.3118.3169.2-162.6159154.400108.6P42P42-E44 PolarHBondContact O-N 3.48Å; P42-E44 VanDerWaalsContact O-N 3.13Å
45A50.7Low44.9Very low82 Ų82129.4 Ų129.468%0.67877%0.765SS**PPolyproline II helixtrans-62.2142.5178.100000110.4S43S43-A45 PolarHBondContact O-N 3.28Å
46P56.8Low44.8Very low115 Ų115131.1 Ų131.175%0.74777%0.767SS**PPolyproline II helixtrans-62.5152.6176.225.7-33.2000111.6
47P53.2Low45Very low116 Ų116127.2 Ų127.275%0.75376%0.764SS**SBendtrans-55.6150.9-179.122.9-33.7000112Y49P47-Y49 PolarHBondContact O-N 2.97Å
48P45.3Very low45.1Very low127 Ų127126.9 Ų126.983%0.82576%0.764SS**PPolyproline II helixtrans-57.1127.3-168.221-31.1000111.6S50P48-S50 PolarHBondContact O-N 3.46Å
49Y38.5Very low45.5Very low189 Ų189126.7 Ų126.774%0.74176%0.763SS**PPolyproline II helixtrans-47.4117.3177.5-142.4-100.9000110.1P47 Q52P47-Y49 PolarHBondContact O-N 2.97Å; Y49-Q52 HydrophobicContact CE1-CB 4.14Å
50S49.3Very low46.5Very low100 Ų100117.3 Ų117.370%0.69973%0.732SS**PPolyproline II helixtrans-59.9133.2160-66.20000107.2P48 Q52P48-S50 PolarHBondContact O-N 3.46Å; S50-Q52 PolarHBondContact O-N 2.91Å
51P48.3Very low47.7Very low126 Ų126114.7 Ų114.782%0.81872%0.717SS**  trans-63107.2179.423.7-29.8000108.5G53P51-G53 PolarHBondContact O-N 3.27Å
52Q46Very low49.2Very low165 Ų165114.1 Ų114.177%0.77171%0.712SS**  trans-68.983.6163.9-165.9174.263.300106.5Y49 S50Y49-Q52 HydrophobicContact CE1-CB 4.14Å; S50-Q52 PolarHBondContact O-N 2.91Å
53G35.2Very low51Low58 Ų58110.5 Ų110.560%0.59869%0.685SS**  trans-84.4108.2166.600000109.2P51P51-G53 PolarHBondContact O-N 3.27Å
54S34.8Very low53.1Low97 Ų97108.5 Ų108.568%0.67867%0.672SS**  trans51.3125.7147.549.70000120.1D56S54-D56 PolarHBondContact O-N 3.21Å
55P52Low55.3Low114 Ų11499.5 Ų99.574%0.7463%0.63SS**SBendtrans-70.9126.1154.532.1-24.9000106.6
56D41.9Very low56.9Low151 Ų151105 Ų10581%0.80763%0.633SS**  trans129.261.1170.7-62.5-21.3000111.6S54S54-D56 PolarHBondContact O-N 3.21Å
57S41.6Very low58.2Low111 Ų111101.8 Ų101.878%0.77661%0.611SS**SBendtrans-170.1110.8154.4-77.40000106.1S59S57-S59 PolarHBondContact O-N 2.86Å
58S46.6Very low59.7Low102 Ų10298.4 Ų98.471%0.71359%0.59SS**  trans-39107.9172.550.10000110.1A60S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.38Å
59S51.3Low61.7Low115 Ų115100.1 Ų100.180%0.80459%0.587SS**  trans-61.794.1179.864.70000107.7S57S57-S59 PolarHBondContact O-N 2.86Å
60A60.6Low63.9Low27 Ų2793.5 Ų93.522%0.22357%0.566CS.*  trans-56.6127178.600000106.9S58 V62 E75S58-A60 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 3.38Å; A60-V62 WeakPolarHBondContact O-CG2 3.21Å; A60-V62 PolarHBondContact O-N 3.13Å; A60-E75 HydrophobicContact CB-CB 4.04Å; A60-E75 HydrophobicContact CB-CG 4.11Å
61P72.9Confident65.6Low74 Ų7492 Ų9248%0.48156%0.56SS.*  trans-61.7114.4-178.620-28.4000108.7V74 T78P61-V74 HydrophobicContact CG-CB 4.25Å; P61-V74 WeakPolarHBondContact O-CB 3.03Å; P61-V74 VanDerWaalsContact O-CG2 3.23Å; P61-V74 WeakPolarHBondContact O-CG2 3.47Å; P61-V74 PolarHBondContact O-N 3.42Å; P61-T78 HydrophobicContact CG-CG2 4.01Å
62V80.9Confident67.4Low98 Ų9887 Ų8759%0.59453%0.526SS*.EExtended strand (participates in β ladder)trans-96.2127.4176.1-1790000108.4A60 A71A60-V62 WeakPolarHBondContact O-CG2 3.21Å; A60-V62 PolarHBondContact O-N 3.13Å; V62-A71 HydrophobicContact CG1-CB 3.63Å
63I84.7Confident69.1Low42 Ų4282.1 Ų82.122%0.21551%0.51CS..EExtended strand (participates in β ladder)trans-114.2137.9175.6-165.7166.3000110.5I72 V74 V83 T92 P93 I94I63-I72 HydrophobicContact CG2-CB 3.88Å; I63-I72 HydrophobicContact CG2-CD1 4.44Å; I63-I72 HydrophobicContact CG2-CG2 4.42Å; I63-I72 PolarHBondContact N-O 2.76Å; I63-I72 WeakPolarHBondContact O-CB 3.42Å; I63-I72 PolarHBondContact O-N 3.36Å; I63-V74 HydrophobicContact CB-CG2 4.02Å; I63-V74 HydrophobicContact CG2-CG2 3.47Å; I63-V74 VanDerWaalsContact CG2-CG2 3.47Å; I63-V83 HydrophobicContact CG2-CG2 4.4Å; I63-T92 HydrophobicContact CD1-CG2 4.1Å; I63-T92 HydrophobicContact CG1-CG2 4.41Å; I63-P93 WeakPolarHBondContact CD1-O 3.5Å; I63-I94 HydrophobicContact CD1-CB 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.8Å; I63-I94 HydrophobicContact CG2-CG2 4Å
64S86.3Confident71.3Confident79 Ų7979.8 Ų79.855%0.55248%0.484SS*.EExtended strand (participates in β ladder)trans-85.7136.1175.856.90000111.4R66S64-R66 PolarHBondContact O-N 2.96Å
65C83.9Confident73.2Confident1 Ų181 Ų811%0.00748%0.479CS..  trans-67.5127.2174.2-174.80000110.4V67 Q69 T70 I72 C85 C88C65-V67 PolarHBondContact O-N 3.44Å; C65-V67 VanDerWaalsContact O-N 3.11Å; C65-V67 PolarHBondContact SG-N 2.99Å; C65-Q69 WeakPolarHBondContact O-CA 3.09Å; C65-Q69 PolarHBondContact O-N 3.47Å; C65-T70 PolarHBondContact N-O 3.11Å; C65-I72 HydrophobicContact CB-CD1 3.98Å; C65-C85 HydrophobicContact CB-CB 4.21Å; C65-C88 PolarHBondContact SG-SG 3.13Å
66R84.3Confident74Confident197 Ų19778.4 Ų78.474%0.74347%0.473SS*.THydrogen-bonded Turntrans-66.2-16.1178.4-165.8171.5-179-178.41.8114.3S64S64-R66 PolarHBondContact O-N 2.96Å
67V84.8Confident75.6Confident49 Ų4976.5 Ų76.530%0.29746%0.457SS..THydrogen-bonded Turntrans-93-56.4-176.5-1770000111.4C65 C88 E90 N109C65-V67 PolarHBondContact O-N 3.44Å; C65-V67 VanDerWaalsContact O-N 3.11Å; C65-V67 PolarHBondContact SG-N 2.99Å; V67-C88 HydrophobicContact CG1-CB 4.39Å; V67-E90 HydrophobicContact CG2-CB 3.87Å; V67-E90 HydrophobicContact CG2-CG 3.99Å; V67-N109 HydrophobicContact CG2-CB 4.22Å
68C84.8Confident77.2Confident45 Ų4574.6 Ų74.630%0.30444%0.441SS..THydrogen-bonded Turntrans-107.62.4-176.562.90000113.8T70 C88C68-T70 PolarHBondContact O-N 2.93Å; C68-T70 PolarHBondContact O-OG1 2.81Å; C68-T70 PolarHBondContact SG-OG1 2.87Å; C68-C88 HydrophobicContact CB-CB 4.32Å
69Q86.6Confident78.7Confident162 Ų16275.8 Ų75.876%0.75744%0.435SS*.  trans61.74.5178.1-63.5166.226.700115.7C65C65-Q69 WeakPolarHBondContact O-CA 3.09Å; C65-Q69 PolarHBondContact O-N 3.47Å
70T86.1Confident80.3Confident51 Ų5174.2 Ų74.231%0.31342%0.415SS..  trans-69.3142.1178.4-38.70000112.3C65 C68 I87C65-T70 PolarHBondContact N-O 3.11Å; C68-T70 PolarHBondContact O-N 2.93Å; C68-T70 PolarHBondContact O-OG1 2.81Å; C68-T70 PolarHBondContact SG-OG1 2.87Å; T70-I87 VanDerWaalsContact CB-CD1 3.48Å; T70-I87 HydrophobicContact CG2-CD1 3.14Å; T70-I87 WeakPolarHBondContact OG1-CD1 3.23Å
71A84.7Confident81.3Confident68 Ų6876.8 Ų76.856%0.56242%0.423SS*.EExtended strand (participates in β ladder)trans-64.2129.9171.600000111.6V62V62-A71 HydrophobicContact CG1-CB 3.63Å
72I84.8Confident82Confident20 Ų2075.4 Ų75.410%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-116.5116.4174.9-54.7167.7000106.7I63 C65 V74 V83 C85I63-I72 HydrophobicContact CG2-CB 3.88Å; I63-I72 HydrophobicContact CG2-CD1 4.44Å; I63-I72 HydrophobicContact CG2-CG2 4.42Å; I63-I72 PolarHBondContact N-O 2.76Å; I63-I72 WeakPolarHBondContact O-CB 3.42Å; I63-I72 PolarHBondContact O-N 3.36Å; C65-I72 HydrophobicContact CB-CD1 3.98Å; I72-V74 PolarHBondContact O-N 2.95Å; I72-V83 HydrophobicContact CD1-CG2 4.49Å; I72-V83 HydrophobicContact CG2-CG2 4.22Å; I72-C85 HydrophobicContact CD1-CB 3.85Å
73S83.2Confident82.5Confident64 Ų6471.1 Ų71.145%0.44839%0.387SS..EExtended strand (participates in β ladder)trans-70.2123.9170.2-178.40000109.5E75S73-E75 VanDerWaalsContact C-N 3.3Å
74V80.1Confident82.7Confident8 Ų876.8 Ų76.85%0.04841%0.41CS..  trans-94.711-179.6-1660000111.4P61 I63 I72 G76 K77 T78 I94P61-V74 HydrophobicContact CG-CB 4.25Å; P61-V74 WeakPolarHBondContact O-CB 3.03Å; P61-V74 VanDerWaalsContact O-CG2 3.23Å; P61-V74 WeakPolarHBondContact O-CG2 3.47Å; P61-V74 PolarHBondContact O-N 3.42Å; I63-V74 HydrophobicContact CB-CG2 4.02Å; I63-V74 HydrophobicContact CG2-CG2 3.47Å; I63-V74 VanDerWaalsContact CG2-CG2 3.47Å; I72-V74 PolarHBondContact O-N 2.95Å; V74-G76 PolarHBondContact O-N 2.99Å; V74-K77 HydrophobicContact CG1-CB 4.44Å; V74-K77 PolarHBondContact O-N 3.48Å; V74-T78 HydrophobicContact CG1-CG2 4.31Å; V74-T78 PolarHBondContact O-N 2.72Å; V74-I94 HydrophobicContact CG1-CB 4.39Å; V74-I94 HydrophobicContact CG1-CD1 3.71Å; V74-I94 HydrophobicContact CG1-CG2 4.05Å; V74-I94 HydrophobicContact CG2-CG2 4.03Å
75E76.1Confident82.8Confident124 Ų12473.1 Ų73.158%0.57938%0.384SS*.THydrogen-bonded Turntrans-55.2126.9178.8-156.6166-172.900111.4A60 S73 K77A60-E75 HydrophobicContact CB-CB 4.04Å; A60-E75 HydrophobicContact CB-CG 4.11Å; S73-E75 VanDerWaalsContact C-N 3.3Å; E75-K77 PolarHBondContact O-N 3.13Å
76G68.9Low83Confident59 Ų5978 Ų7861%0.60842%0.418SS*.THydrogen-bonded Turntrans72.8-13.5-175.900000116.7V74 H79V74-G76 PolarHBondContact O-N 2.99Å; G76-H79 PolarHBondContact O-CE1 3.16Å; G76-H79 VanDerWaalsContact O-CE1 3.28Å; G76-H79 PolarHBondContact O-ND1 3.49Å; G76-H79 VanDerWaalsContact O-ND1 3.13Å
77K75.3Confident83.2Confident110 Ų11073.5 Ų73.548%0.47841%0.408SS..THydrogen-bonded Turntrans-103.37-179.6-66.5175.7-175165.40113.7V74 E75 H79 Q80 V83 I94V74-K77 HydrophobicContact CG1-CB 4.44Å; V74-K77 PolarHBondContact O-N 3.48Å; E75-K77 PolarHBondContact O-N 3.13Å; K77-H79 PolarHBondContact O-N 3.05Å; K77-H79 VanDerWaalsContact O-N 3.12Å; K77-Q80 WeakPolarHBondContact O-CB 3.43Å; K77-Q80 PolarHBondContact O-N 3.47Å; K77-V83 HydrophobicContact CB-CG1 4.22Å; K77-I94 WeakPolarHBondContact O-CD1 2.98Å
78T74.6Confident83.3Confident71 Ų7173 Ų7344%0.43641%0.406SS..THydrogen-bonded Turntrans-59.2-22.6179.258.90000113.4P61 V74 Q80 K95P61-T78 HydrophobicContact CG-CG2 4.01Å; V74-T78 HydrophobicContact CG1-CG2 4.31Å; V74-T78 PolarHBondContact O-N 2.72Å; T78-Q80 VanDerWaalsContact C-N 3.28Å; T78-Q80 PolarHBondContact O-N 3.5Å; T78-K95 WeakPolarHBondContact O-CE 3.31Å; T78-K95 PolarHBondContact O-NZ 3.06Å
79H78.3Confident83.5Confident127 Ų12776.5 Ų76.559%0.58842%0.422SS*.THydrogen-bonded Turntrans-71.3-22.3174.765.3-87.2000113G76 K77G76-H79 PolarHBondContact O-CE1 3.16Å; G76-H79 VanDerWaalsContact O-CE1 3.28Å; G76-H79 PolarHBondContact O-ND1 3.49Å; G76-H79 VanDerWaalsContact O-ND1 3.13Å; K77-H79 PolarHBondContact O-N 3.05Å; K77-H79 VanDerWaalsContact O-N 3.12Å
80Q83.8Confident83.6Confident83 Ų8370 Ų7039%0.38839%0.391SS..SBendtrans-82159.3179.1-55.6-17630.400110.5K77 T78 I94K77-Q80 WeakPolarHBondContact O-CB 3.43Å; K77-Q80 PolarHBondContact O-N 3.47Å; T78-Q80 VanDerWaalsContact C-N 3.28Å; T78-Q80 PolarHBondContact O-N 3.5Å; Q80-I94 HydrophobicContact CB-CD1 4.39Å; Q80-I94 WeakPolarHBondContact O-CD1 3.33Å; Q80-I94 WeakPolarHBondContact O-CG1 3.47Å
81H83.3Confident83.8Confident81 Ų8168.6 Ų68.638%0.37539%0.385SS..SBendtrans-94.7-19.6176-7263.4000112.8I94 K95 N96 Y103H81-I94 VanDerWaalsContact C-CG1 3.43Å; H81-I94 WeakPolarHBondContact O-CG1 3.2Å; H81-I94 PolarHBondContact O-N 3.26Å; H81-K95 PolarHBondContact O-N 2.93Å; H81-N96 PolarHBondContact CD2-O 2.78Å; H81-Y103 WeakPolarHBondContact CB-OH 3.46Å
82V87.4Confident83.9Confident44 Ų4465.7 Ų65.727%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-141.6138.3-174.9-179.40000108.7A91 Y103 L111V82-A91 HydrophobicContact CG1-CB 3.69Å; V82-Y103 HydrophobicContact CG2-CE1 3.79Å; V82-Y103 WeakPolarHBondContact CG2-OH 3.42Å; V82-L111 HydrophobicContact CG1-CD2 3.79Å; V82-L111 HydrophobicContact CG2-CD2 4.18Å
83V90.2Very high84Confident8 Ų866.9 Ų66.95%0.04837%0.369CS..EExtended strand (participates in β ladder)trans-120.1152.4172.4-60.70000109.9I63 I72 K77 A91 T92 I94I63-V83 HydrophobicContact CG2-CG2 4.4Å; I72-V83 HydrophobicContact CD1-CG2 4.49Å; I72-V83 HydrophobicContact CG2-CG2 4.22Å; K77-V83 HydrophobicContact CB-CG1 4.22Å; V83-A91 CarbonylContact O-C 3.53Å; V83-A91 WeakPolarHBondContact O-CA 3.39Å; V83-T92 PolarHBondContact N-O 3.37Å; V83-T92 PolarHBondContact O-N 3.47Å; V83-I94 HydrophobicContact CB-CG2 4.37Å; V83-I94 HydrophobicContact CG1-CD1 3.7Å; V83-I94 HydrophobicContact CG1-CG1 4.19Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; V83-I94 HydrophobicContact CG2-CG2 3.61Å
84K89.9Confident84.1Confident162 Ų16265.7 Ų65.770%0.70436%0.358SS*.EExtended strand (participates in β ladder)trans-95136.3172.4-64.9-179.3-176.91760109.3
85C88.6Confident84.3Confident2 Ų270 Ų701%0.01438%0.376CS..  trans-67.6134.5170.5-177.20000109.8C65 I72 I87 C88 N89 E90C65-C85 HydrophobicContact CB-CB 4.21Å; I72-C85 HydrophobicContact CD1-CB 3.85Å; C85-I87 VanDerWaalsContact C-N 3.26Å; C85-I87 PolarHBondContact O-N 3.47Å; C85-I87 PolarHBondContact SG-N 3.43Å; C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 VanDerWaalsContact SG-SG 3.63Å; C85-N89 WeakPolarHBondContact O-CA 3.2Å; C85-N89 PolarHBondContact O-N 2.86Å; C85-E90 PolarHBondContact N-O 2.62Å
86S87.8Confident84.6Confident103 Ų10371.3 Ų71.372%0.7239%0.387SS*.THydrogen-bonded Turntrans-69.6-23.1176.848.10000113.6
87I89Confident85.4Confident103 Ų10369.8 Ų69.853%0.52837%0.368SS..THydrogen-bonded Turntrans-89.7-55.7-174.5-66.3161.5000110.9T70 C85T70-I87 VanDerWaalsContact CB-CD1 3.48Å; T70-I87 HydrophobicContact CG2-CD1 3.14Å; T70-I87 WeakPolarHBondContact OG1-CD1 3.23Å; C85-I87 VanDerWaalsContact C-N 3.26Å; C85-I87 PolarHBondContact O-N 3.47Å; C85-I87 PolarHBondContact SG-N 3.43Å
88C85.7Confident85.9Confident38 Ų3866.7 Ų66.726%0.25736%0.36SS..THydrogen-bonded Turntrans-98.7-0.6-177.763.20000114C65 V67 C68 C85 E90C65-C88 PolarHBondContact SG-SG 3.13Å; V67-C88 HydrophobicContact CG1-CB 4.39Å; C68-C88 HydrophobicContact CB-CB 4.32Å; C85-C88 VanDerWaalsContact CB-SG 3.56Å; C85-C88 VanDerWaalsContact SG-SG 3.63Å; C88-E90 PolarHBondContact O-N 3.05Å
89N88.4Confident86.5Confident119 Ų11971.9 Ų71.964%0.63638%0.382SS*.  trans57.310.8-177.3-67.5-47.9000115.5C85C85-N89 WeakPolarHBondContact O-CA 3.2Å; C85-N89 PolarHBondContact O-N 2.86Å
90E89.9Confident86.8Confident24 Ų2467.6 Ų67.611%0.11237%0.373CS..  trans-84.9141.4179.5-71-70.9-176.800111.9V67 C85 C88 N109 R125V67-E90 HydrophobicContact CG2-CB 3.87Å; V67-E90 HydrophobicContact CG2-CG 3.99Å; C85-E90 PolarHBondContact N-O 2.62Å; C88-E90 PolarHBondContact O-N 3.05Å; E90-N109 HydrophobicContact CG-CB 4.4Å; E90-R125 IonicContact OE1-CZ 3.59Å; E90-R125 IonicContact OE1-NH1 3.82Å; E90-R125 IonicContact OE1-NH2 2.62Å; E90-R125 PolarHBondContact OE1-NH2 2.82Å; E90-R125 IonicContact OE2-NH2 3.47Å; E90-R125 PolarHBondContact OE2-NH2 2.95Å
91A89.6Confident87.1Confident22 Ų2268.9 Ų68.918%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-74.9133.2179.200000111.3V82 V83 R105 L111V82-A91 HydrophobicContact CG1-CB 3.69Å; V83-A91 CarbonylContact O-C 3.53Å; V83-A91 WeakPolarHBondContact O-CA 3.39Å; A91-R105 PolarHBondContact O-NH2 3.31Å; A91-L111 HydrophobicContact CB-CB 3.9Å; A91-L111 HydrophobicContact CB-CD2 3.9Å
92T87.1Confident87.4Confident7 Ų767 Ų674%0.04337%0.368CS..EExtended strand (participates in β ladder)trans-124.7125.2178.8-53.70000108.6I63 V83I63-T92 HydrophobicContact CD1-CG2 4.1Å; I63-T92 HydrophobicContact CG1-CG2 4.41Å; V83-T92 PolarHBondContact N-O 3.37Å; V83-T92 PolarHBondContact O-N 3.47Å
93P86.4Confident87.6Confident46 Ų4667.5 Ų67.530%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-71.7133.4178.429.9-32.5000110I63 Y103 L111I63-P93 WeakPolarHBondContact CD1-O 3.5Å; P93-Y103 HydrophobicContact CB-CD2 3.75Å; P93-Y103 HydrophobicContact CB-CE2 3.79Å; P93-Y103 HydrophobicContact CB-CG 4.33Å; P93-Y103 HydrophobicContact CG-CD2 4.47Å; P93-L111 HydrophobicContact CB-CD2 4.45Å
94I85.6Confident87.6Confident39 Ų3968 Ų6820%0.237%0.369CS..  trans-106.5-20.9176.550.7163.8000112.8I63 V74 K77 Q80 H81 V83I63-I94 HydrophobicContact CD1-CB 4.49Å; I63-I94 HydrophobicContact CD1-CG2 3.8Å; I63-I94 HydrophobicContact CG2-CG2 4Å; V74-I94 HydrophobicContact CG1-CB 4.39Å; V74-I94 HydrophobicContact CG1-CD1 3.71Å; V74-I94 HydrophobicContact CG1-CG2 4.05Å; V74-I94 HydrophobicContact CG2-CG2 4.03Å; K77-I94 WeakPolarHBondContact O-CD1 2.98Å; Q80-I94 HydrophobicContact CB-CD1 4.39Å; Q80-I94 WeakPolarHBondContact O-CD1 3.33Å; Q80-I94 WeakPolarHBondContact O-CG1 3.47Å; H81-I94 VanDerWaalsContact C-CG1 3.43Å; H81-I94 WeakPolarHBondContact O-CG1 3.2Å; H81-I94 PolarHBondContact O-N 3.26Å; V83-I94 HydrophobicContact CB-CG2 4.37Å; V83-I94 HydrophobicContact CG1-CD1 3.7Å; V83-I94 HydrophobicContact CG1-CG1 4.19Å; V83-I94 HydrophobicContact CG1-CG2 3.93Å; V83-I94 HydrophobicContact CG2-CG2 3.61Å
95K83.9Confident87.7Confident99 Ų9962.8 Ų62.843%0.4335%0.345SS..SBendtrans-126.6162.2174.5-71.2-179166.7173.50109.9T78 H81 Y103T78-K95 WeakPolarHBondContact O-CE 3.31Å; T78-K95 PolarHBondContact O-NZ 3.06Å; H81-K95 PolarHBondContact O-N 2.93Å; K95-Y103 WeakPolarHBondContact O-CE2 3.46Å
96N83.1Confident87.8Confident151 Ų15162.8 Ų62.881%0.80734%0.344SS*.PPolyproline II helixtrans-55.1150.2168.1-66.8-33.4000110.2H81H81-N96 PolarHBondContact CD2-O 2.78Å
97A85.9Confident87.9Confident27 Ų2762.4 Ų62.422%0.22334%0.339CS..PPolyproline II helixtrans-59.2145.2174.800000109.7K101 Y103A97-K101 HydrophobicContact CB-CB 4.46Å; A97-K101 WeakPolarHBondContact CB-O 3.38Å; A97-Y103 VanDerWaalsContact CA-CE2 3.49Å; A97-Y103 HydrophobicContact CB-CD2 3.83Å; A97-Y103 HydrophobicContact CB-CE2 3.71Å; A97-Y103 HydrophobicContact CB-CG 4.36Å
98P86.4Confident88Confident45 Ų4558.8 Ų58.829%0.29232%0.323SS..PPolyproline II helixtrans-58.8156.4175.126-35.2000110.7G100 K101 I113P98-G100 PolarHBondContact O-N 2.94Å; P98-K101 HydrophobicContact CG-CB 4.29Å; P98-K101 HydrophobicContact CG-CD 4.07Å; P98-K101 HydrophobicContact CG-CG 4.47Å; P98-K101 WeakPolarHBondContact O-CB 3.36Å; P98-K101 PolarHBondContact O-N 3.39Å; P98-I113 HydrophobicContact CG-CD1 4.07Å
99I85.8Confident88.2Confident179 Ų17960.1 Ų60.192%0.91833%0.328SS*.THydrogen-bonded Turntrans-50.5131.6-172.3-56.6171000110.9K101I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 3.03Å
100G85.8Confident88.3Confident38 Ų3855.3 Ų55.339%0.39230%0.303SS..THydrogen-bonded Turntrans78.52.1-179.200000115.4P98 V116P98-G100 PolarHBondContact O-N 2.94Å; G100-V116 PolarHBondContact O-N 2.92Å
101K89.3Confident88.4Confident109 Ų10955.7 Ų55.747%0.47431%0.306SS..EExtended strand (participates in β ladder)trans-118.6158.4174.7-57.1-172.2-172.1171.10111.5A97 P98 I99 I113 C114A97-K101 HydrophobicContact CB-CB 4.46Å; A97-K101 WeakPolarHBondContact CB-O 3.38Å; P98-K101 HydrophobicContact CG-CB 4.29Å; P98-K101 HydrophobicContact CG-CD 4.07Å; P98-K101 HydrophobicContact CG-CG 4.47Å; P98-K101 WeakPolarHBondContact O-CB 3.36Å; P98-K101 PolarHBondContact O-N 3.39Å; I99-K101 VanDerWaalsContact C-N 3.28Å; I99-K101 PolarHBondContact O-N 3.03Å; K101-I113 HydrophobicContact CB-CD1 3.94Å; K101-I113 HydrophobicContact CB-CG1 3.85Å; K101-I113 HydrophobicContact CD-CD1 3.58Å; K101-I113 HydrophobicContact CD-CG1 3.91Å; K101-I113 HydrophobicContact CG-CD1 4.38Å; K101-I113 HydrophobicContact CG-CG1 4.43Å; K101-C114 CarbonylContact C-O 3.58Å; K101-C114 WeakPolarHBondContact CA-O 3.4Å
102K89.8Confident88.5Confident42 Ų4255.6 Ų55.618%0.18330%0.302CS..EExtended strand (participates in β ladder)trans-135.4148.5174.164-175.4176.8-163.30110.7V104 C114 V116 S118K102-V104 HydrophobicContact CD-CG2 4.48Å; K102-V104 HydrophobicContact CG-CG2 4.22Å; K102-C114 WeakPolarHBondContact CE-SG 2.94Å; K102-C114 WeakPolarHBondContact CG-SG 3.23Å; K102-C114 PolarHBondContact N-O 2.68Å; K102-C114 PolarHBondContact O-N 3.12Å; K102-V116 HydrophobicContact CB-CG1 4.17Å; K102-V116 HydrophobicContact CG-CG1 4.48Å; K102-V116 PolarHBondContact NZ-O 3.06Å; K102-S118 PolarHBondContact NZ-O 3.45Å
103Y91.4Very high88.8Confident55 Ų5559.4 Ų59.422%0.21632%0.321CS..EExtended strand (participates in β ladder)trans-85.2134.7170.2-66.8-57.7000110.6H81 V82 P93 K95 A97 L111 L112 I113H81-Y103 WeakPolarHBondContact CB-OH 3.46Å; V82-Y103 HydrophobicContact CG2-CE1 3.79Å; V82-Y103 WeakPolarHBondContact CG2-OH 3.42Å; P93-Y103 HydrophobicContact CB-CD2 3.75Å; P93-Y103 HydrophobicContact CB-CE2 3.79Å; P93-Y103 HydrophobicContact CB-CG 4.33Å; P93-Y103 HydrophobicContact CG-CD2 4.47Å; K95-Y103 WeakPolarHBondContact O-CE2 3.46Å; A97-Y103 VanDerWaalsContact CA-CE2 3.49Å; A97-Y103 HydrophobicContact CB-CD2 3.83Å; A97-Y103 HydrophobicContact CB-CE2 3.71Å; A97-Y103 HydrophobicContact CB-CG 4.36Å; Y103-L111 HydrophobicContact CD1-CD1 4.41Å; Y103-L111 HydrophobicContact CD1-CD2 4.38Å; Y103-L111 HydrophobicContact CD1-CG 4.35Å; Y103-L111 HydrophobicContact CG-CD1 4.45Å; Y103-L112 CarbonylContact C-O 3.57Å; Y103-L112 WeakPolarHBondContact CA-O 3.33Å; Y103-I113 HydrophobicContact CD1-CB 4.3Å; Y103-I113 HydrophobicContact CD1-CG1 4.49Å; Y103-I113 HydrophobicContact CE1-CB 4.27Å; Y103-I113 HydrophobicContact CE1-CD1 4.09Å; Y103-I113 HydrophobicContact CE1-CG1 4.31Å
104V91.4Very high89Confident19 Ų1957.8 Ų57.812%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-131.2132.7176.2178.70000107.6K102 L112 C114 I121 I132 L134K102-V104 HydrophobicContact CD-CG2 4.48Å; K102-V104 HydrophobicContact CG-CG2 4.22Å; V104-L112 PolarHBondContact N-O 2.95Å; V104-L112 WeakPolarHBondContact O-CA 3.48Å; V104-L112 WeakPolarHBondContact O-CB 3.35Å; V104-L112 PolarHBondContact O-N 3.31Å; V104-C114 VanDerWaalsContact CG2-SG 3.54Å; V104-I121 HydrophobicContact CB-CD1 3.95Å; V104-I121 HydrophobicContact CG1-CD1 3.92Å; V104-I121 HydrophobicContact CG2-CD1 4.31Å; V104-I132 HydrophobicContact CG1-CD1 4.45Å; V104-I132 HydrophobicContact CG1-CG2 4.43Å; V104-L134 HydrophobicContact CB-CD2 4.35Å; V104-L134 HydrophobicContact CG1-CD2 3.91Å; V104-L134 HydrophobicContact CG2-CD1 4.13Å; V104-L134 HydrophobicContact CG2-CD2 3.47Å; V104-L134 VanDerWaalsContact CG2-CD2 3.47Å; V104-L134 HydrophobicContact CG2-CG 4.42Å
105R91.3Very high89.2Confident52 Ų5262 Ų6220%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-101.1122.2176.7-170.3165.9-105.8-94.7-4.1109.2A91 N109A91-R105 PolarHBondContact O-NH2 3.31Å; R105-N109 VanDerWaalsContact NH1-CB 3.34Å; R105-N109 PolarHBondContact NH1-O 3.43Å; R105-N109 PolarHBondContact NH1-OD1 2.96Å; R105-N109 VanDerWaalsContact NH1-OD1 3.13Å; R105-N109 PolarHBondContact NH2-O 2.78Å
106C91.3Very high89.3Confident1 Ų160.2 Ų60.21%0.00733%0.325CS..  trans-69.8152.5172.6-171.50000109.8C108 N109 C110 L112 C123 I132C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 PolarHBondContact SG-SG 2.69Å; C106-N109 WeakPolarHBondContact O-CA 3.42Å; C106-N109 PolarHBondContact O-N 2.9Å; C106-C110 HydrophobicContact CB-CB 4.19Å; C106-C110 PolarHBondContact N-O 3.13Å; C106-L112 HydrophobicContact CB-CD1 4.21Å; C106-C123 HydrophobicContact CB-CB 4.44Å; C106-I132 HydrophobicContact CB-CD1 3.86Å
107P89.8Confident89.2Confident95 Ų9557 Ų5762%0.61731%0.311SS*.THydrogen-bonded Turntrans-63-12.6174.4-18.528.3000114.2N109P107-N109 PolarHBondContact O-N 3.04Å
108C89.4Confident89.2Confident28 Ų2857.4 Ų57.419%0.18931%0.312CS..THydrogen-bonded Turntrans-84.115.3168.670.90000113.6C106 C110 C123 R125 C128C106-C108 PolarHBondContact O-N 2.9Å; C106-C108 PolarHBondContact SG-SG 2.69Å; C108-C110 PolarHBondContact O-N 3.28Å; C108-C110 VanDerWaalsContact O-N 3.16Å; C108-C123 PolarHBondContact SG-SG 3.15Å; C108-R125 PolarHBondContact O-NH1 3.01Å; C108-C128 HydrophobicContact CB-CB 4.07Å; C108-C128 VanDerWaalsContact CB-SG 3.58Å; C108-C128 PolarHBondContact SG-SG 3.35Å
109N89.8Confident89.2Confident66 Ų6661.2 Ų61.235%0.35333%0.326SS..SBendtrans68.5-3.6-176.9-68.8-43.4000117.4V67 E90 R105 C106 P107 L111V67-N109 HydrophobicContact CG2-CB 4.22Å; E90-N109 HydrophobicContact CG-CB 4.4Å; R105-N109 VanDerWaalsContact NH1-CB 3.34Å; R105-N109 PolarHBondContact NH1-O 3.43Å; R105-N109 PolarHBondContact NH1-OD1 2.96Å; R105-N109 VanDerWaalsContact NH1-OD1 3.13Å; R105-N109 PolarHBondContact NH2-O 2.78Å; C106-N109 WeakPolarHBondContact O-CA 3.42Å; C106-N109 PolarHBondContact O-N 2.9Å; P107-N109 PolarHBondContact O-N 3.04Å; N109-L111 PolarHBondContact O-N 3.48Å
110C91Very high89.4Confident17 Ų1759.1 Ų59.112%0.11531%0.31CS..  trans-62.9122.3174.5-174.50000111.7C106 C108C106-C110 HydrophobicContact CB-CB 4.19Å; C106-C110 PolarHBondContact N-O 3.13Å; C108-C110 PolarHBondContact O-N 3.28Å; C108-C110 VanDerWaalsContact O-N 3.16Å
111L92.4Very high89.8Confident32 Ų3258.4 Ų58.417%0.16830%0.297CS..EExtended strand (participates in β ladder)trans-80.4124.1171.9-173.269.4000110V82 A91 P93 Y103 N109V82-L111 HydrophobicContact CG1-CD2 3.79Å; V82-L111 HydrophobicContact CG2-CD2 4.18Å; A91-L111 HydrophobicContact CB-CB 3.9Å; A91-L111 HydrophobicContact CB-CD2 3.9Å; P93-L111 HydrophobicContact CB-CD2 4.45Å; Y103-L111 HydrophobicContact CD1-CD1 4.41Å; Y103-L111 HydrophobicContact CD1-CD2 4.38Å; Y103-L111 HydrophobicContact CD1-CG 4.35Å; Y103-L111 HydrophobicContact CG-CD1 4.45Å; N109-L111 PolarHBondContact O-N 3.48Å
112L92.5Very high90Very high21 Ų2156.3 Ų56.311%0.1130%0.3CS..EExtended strand (participates in β ladder)trans-117.2145.2-178.2-58.1168.5000109.6Y103 V104 C106 I121 P124 I132Y103-L112 CarbonylContact C-O 3.57Å; Y103-L112 WeakPolarHBondContact CA-O 3.33Å; V104-L112 PolarHBondContact N-O 2.95Å; V104-L112 WeakPolarHBondContact O-CA 3.48Å; V104-L112 WeakPolarHBondContact O-CB 3.35Å; V104-L112 PolarHBondContact O-N 3.31Å; C106-L112 HydrophobicContact CB-CD1 4.21Å; L112-I121 HydrophobicContact CB-CD1 4.2Å; L112-I121 HydrophobicContact CD1-CD1 3.8Å; L112-P124 HydrophobicContact CD2-CG 3.91Å; L112-I132 HydrophobicContact CD1-CD1 3.99Å
113I92Very high90.2Very high87 Ų8754.5 Ų54.545%0.44629%0.293SS..EExtended strand (participates in β ladder)trans-109.7129.1168.5-170.7168000108.4P98 K101 Y103P98-I113 HydrophobicContact CG-CD1 4.07Å; K101-I113 HydrophobicContact CB-CD1 3.94Å; K101-I113 HydrophobicContact CB-CG1 3.85Å; K101-I113 HydrophobicContact CD-CD1 3.58Å; K101-I113 HydrophobicContact CD-CG1 3.91Å; K101-I113 HydrophobicContact CG-CD1 4.38Å; K101-I113 HydrophobicContact CG-CG1 4.43Å; Y103-I113 HydrophobicContact CD1-CB 4.3Å; Y103-I113 HydrophobicContact CD1-CG1 4.49Å; Y103-I113 HydrophobicContact CE1-CB 4.27Å; Y103-I113 HydrophobicContact CE1-CD1 4.09Å; Y103-I113 HydrophobicContact CE1-CG1 4.31Å
114C91.3Very high90.2Very high11 Ų1156.6 Ų56.67%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-137.4163178.863.60000110.8K101 K102 V104 I121K101-C114 CarbonylContact C-O 3.58Å; K101-C114 WeakPolarHBondContact CA-O 3.4Å; K102-C114 WeakPolarHBondContact CE-SG 2.94Å; K102-C114 WeakPolarHBondContact CG-SG 3.23Å; K102-C114 PolarHBondContact N-O 2.68Å; K102-C114 PolarHBondContact O-N 3.12Å; V104-C114 VanDerWaalsContact CG2-SG 3.54Å; C114-I121 HydrophobicContact CB-CD1 4.39Å; C114-I121 HydrophobicContact CB-CG2 3.73Å
115K89.6Confident90.3Very high129 Ų12960.6 Ų60.656%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-65.1144173.6-170.4174.3174177.30108.4T117 S118K115-T117 VanDerWaalsContact CD-OG1 3.24Å; K115-T117 WeakPolarHBondContact CD-OG1 3.49Å; K115-T117 VanDerWaalsContact CE-OG1 3.28Å; K115-T117 WeakPolarHBondContact CE-OG1 3.4Å; K115-T117 WeakPolarHBondContact CG-OG1 3.44Å; K115-T117 PolarHBondContact O-N 2.78Å; K115-T117 VanDerWaalsContact O-N 3.14Å; K115-S118 WeakPolarHBondContact CB-OG 3.48Å; K115-S118 PolarHBondContact N-OG 3.49Å; K115-S118 VanDerWaalsContact O-CB 3.22Å; K115-S118 WeakPolarHBondContact O-CB 3.48Å; K115-S118 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-OG 3.36Å
116V85.7Confident90.3Very high61 Ų6162.3 Ų62.337%0.3734%0.344SS..THydrogen-bonded Turntrans-56.6-32.8178.8-69.10000112.3G100 K102 S118G100-V116 PolarHBondContact O-N 2.92Å; K102-V116 HydrophobicContact CB-CG1 4.17Å; K102-V116 HydrophobicContact CG-CG1 4.48Å; K102-V116 PolarHBondContact NZ-O 3.06Å; V116-S118 VanDerWaalsContact C-N 3.33Å; V116-S118 PolarHBondContact O-N 3.35Å
117T82.2Confident90.3Very high84 Ų8473.3 Ų73.352%0.51539%0.387SS..THydrogen-bonded Turntrans-79.4-6.7176.668.60000114.3K115 Q119K115-T117 VanDerWaalsContact CD-OG1 3.24Å; K115-T117 WeakPolarHBondContact CD-OG1 3.49Å; K115-T117 VanDerWaalsContact CE-OG1 3.28Å; K115-T117 WeakPolarHBondContact CE-OG1 3.4Å; K115-T117 WeakPolarHBondContact CG-OG1 3.44Å; K115-T117 PolarHBondContact O-N 2.78Å; K115-T117 VanDerWaalsContact O-N 3.14Å; T117-Q119 PolarHBondContact O-N 3.47Å
118S84.2Confident90.4Very high34 Ų3470.1 Ų70.124%0.23837%0.367CS..  trans-66.4120.6178.3-65.90000109.8K102 K115 V116 L134K102-S118 PolarHBondContact NZ-O 3.45Å; K115-S118 WeakPolarHBondContact CB-OG 3.48Å; K115-S118 PolarHBondContact N-OG 3.49Å; K115-S118 VanDerWaalsContact O-CB 3.22Å; K115-S118 WeakPolarHBondContact O-CB 3.48Å; K115-S118 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-OG 3.36Å; V116-S118 VanDerWaalsContact C-N 3.33Å; V116-S118 PolarHBondContact O-N 3.35Å; S118-L134 WeakPolarHBondContact O-CB 3.37Å; S118-L134 WeakPolarHBondContact O-CD1 3.22Å
119Q87.7Confident90.5Very high125 Ų12576 Ų7658%0.58439%0.389SS*.  trans-91.9-23.8177.2-67.2179.2-24.300112.8T117 N133 L134T117-Q119 PolarHBondContact O-N 3.47Å; Q119-N133 CarbonylContact O-C 3.57Å; Q119-N133 WeakPolarHBondContact O-CA 3.48Å; Q119-L134 WeakPolarHBondContact CA-O 3.22Å; Q119-L134 PolarHBondContact O-N 2.85Å
120K90Very high90.6Very high135 Ų13578.6 Ų78.659%0.58739%0.394SS*.EExtended strand (participates in β ladder)trans-142128.4-177.2-168.3179.2-173-176.80109.5I131 I132K120-I131 HydrophobicContact CD-CG2 3.94Å; K120-I131 HydrophobicContact CG-CG2 3.6Å; K120-I132 WeakPolarHBondContact CA-O 3.39Å
121I93.5Very high90.7Very high23 Ų2382.2 Ų82.212%0.11841%0.411CS..EExtended strand (participates in β ladder)trans-134.2147175.463.8169.5000110.3V104 L112 C114 I131 I132 L134V104-I121 HydrophobicContact CB-CD1 3.95Å; V104-I121 HydrophobicContact CG1-CD1 3.92Å; V104-I121 HydrophobicContact CG2-CD1 4.31Å; L112-I121 HydrophobicContact CB-CD1 4.2Å; L112-I121 HydrophobicContact CD1-CD1 3.8Å; C114-I121 HydrophobicContact CB-CD1 4.39Å; C114-I121 HydrophobicContact CB-CG2 3.73Å; I121-I131 CarbonylContact O-C 3.57Å; I121-I131 WeakPolarHBondContact O-CA 3.27Å; I121-I132 HydrophobicContact CD1-CD1 4.31Å; I121-I132 HydrophobicContact CG1-CB 3.96Å; I121-I132 HydrophobicContact CG1-CD1 4.29Å; I121-I132 PolarHBondContact N-O 3.49Å; I121-I132 PolarHBondContact O-N 3.1Å; I121-L134 HydrophobicContact CB-CD1 4.47Å; I121-L134 HydrophobicContact CD1-CD1 3.89Å; I121-L134 HydrophobicContact CG1-CD1 3.84Å; I121-L134 HydrophobicContact CG2-CD1 3.91Å
122A93.2Very high90.6Very high65 Ų6582 Ų8254%0.53741%0.41SS..EExtended strand (participates in β ladder)trans-105.1141.917400000110.4R130A122-R130 WeakPolarHBondContact CA-O 3.2Å
123C94.5Very high90.4Very high4 Ų487 Ų873%0.02744%0.436CS..  trans-71.1130.1171.9-174.60000110.3C106 C108 R125 C128 K129 R130C106-C123 HydrophobicContact CB-CB 4.44Å; C108-C123 PolarHBondContact SG-SG 3.15Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 3.38Å; C123-C128 HydrophobicContact CB-CB 4.32Å; C123-K129 WeakPolarHBondContact O-CA 3.25Å; C123-R130 PolarHBondContact N-O 3Å
124P92.5Very high90Very high99 Ų9984.2 Ų84.264%0.64342%0.422SS*.  trans-76.7-8.9-178.532.2-35.4000113.6L112L112-P124 HydrophobicContact CD2-CG 3.91Å
125R93.1Very high89.1Confident103 Ų10386.3 Ų86.339%0.38945%0.446SS..  trans-62131.7179.2-81.6-168.8-178.5-166.23.8110.4E90 C108 C123 Y127 C128 K129E90-R125 IonicContact OE1-CZ 3.59Å; E90-R125 IonicContact OE1-NH1 3.82Å; E90-R125 IonicContact OE1-NH2 2.62Å; E90-R125 PolarHBondContact OE1-NH2 2.82Å; E90-R125 IonicContact OE2-NH2 3.47Å; E90-R125 PolarHBondContact OE2-NH2 2.95Å; C108-R125 PolarHBondContact O-NH1 3.01Å; C123-R125 VanDerWaalsContact C-N 3.27Å; C123-R125 PolarHBondContact O-N 3.38Å; R125-Y127 PolarHBondContact O-N 3.35Å; R125-Y127 VanDerWaalsContact O-N 3.13Å; R125-C128 HydrophobicContact CB-CB 3.84Å; R125-C128 PolarHBondContact O-N 2.78Å; R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.15Å
126P91Very high87.9Confident89 Ų8984.3 Ų84.358%0.57845%0.446SS*.THydrogen-bonded Turntrans-57.9-33.4-175.221.8-32.7000112.8K129P126-K129 VanDerWaalsContact O-CE 3.31Å; P126-K129 WeakPolarHBondContact O-CE 3.19Å
127Y90.7Very high86.4Confident231 Ų23186.3 Ų86.391%0.90646%0.458SS*.THydrogen-bonded Turntrans-95.6-10.8-179.6-55.4-68000115.1R125R125-Y127 PolarHBondContact O-N 3.35Å; R125-Y127 VanDerWaalsContact O-N 3.13Å
128C92.8Very high85Confident29 Ų2990.5 Ų90.520%0.19647%0.472CS..THydrogen-bonded Turntrans-97.4-53.7-179.8-173.20000111.6C108 C123 R125 R130C108-C128 HydrophobicContact CB-CB 4.07Å; C108-C128 VanDerWaalsContact CB-SG 3.58Å; C108-C128 PolarHBondContact SG-SG 3.35Å; C123-C128 HydrophobicContact CB-CB 4.32Å; R125-C128 HydrophobicContact CB-CB 3.84Å; R125-C128 PolarHBondContact O-N 2.78Å; C128-R130 PolarHBondContact O-N 2.98Å
129K90.9Very high83.4Confident150 Ų15096.4 Ų96.465%0.65250%0.499SS*.  trans39.820.6-178.4-64-175179.8176.30116C123 R125 P126 I131C123-K129 WeakPolarHBondContact O-CA 3.25Å; R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.15Å; P126-K129 VanDerWaalsContact O-CE 3.31Å; P126-K129 WeakPolarHBondContact O-CE 3.19Å; K129-I131 PolarHBondContact O-N 3.48Å
130R92.5Very high81.1Confident121 Ų12193.6 Ų93.646%0.45750%0.503SS..  trans-73.2133.5-170.7-177.4-179.5-72127.6-8.7109.4A122 C123 C128A122-R130 WeakPolarHBondContact CA-O 3.2Å; C123-R130 PolarHBondContact N-O 3Å; C128-R130 PolarHBondContact O-N 2.98Å
131I92.1Very high78.7Confident93 Ų9392.4 Ų92.448%0.47751%0.512SS..EExtended strand (participates in β ladder)trans-82.3126.6172.1-65174.9000108.9K120 I121 K129K120-I131 HydrophobicContact CD-CG2 3.94Å; K120-I131 HydrophobicContact CG-CG2 3.6Å; I121-I131 CarbonylContact O-C 3.57Å; I121-I131 WeakPolarHBondContact O-CA 3.27Å; K129-I131 PolarHBondContact O-N 3.48Å
132I90.4Very high76.2Confident28 Ų2899.5 Ų99.514%0.14455%0.55CS.*EExtended strand (participates in β ladder)trans-113.3119.6178.3-54.3162.1000107.8V104 C106 L112 K120 I121V104-I132 HydrophobicContact CG1-CD1 4.45Å; V104-I132 HydrophobicContact CG1-CG2 4.43Å; C106-I132 HydrophobicContact CB-CD1 3.86Å; L112-I132 HydrophobicContact CD1-CD1 3.99Å; K120-I132 WeakPolarHBondContact CA-O 3.39Å; I121-I132 HydrophobicContact CD1-CD1 4.31Å; I121-I132 HydrophobicContact CG1-CB 3.96Å; I121-I132 HydrophobicContact CG1-CD1 4.29Å; I121-I132 PolarHBondContact N-O 3.49Å; I121-I132 PolarHBondContact O-N 3.1Å
133N88.5Confident73.8Confident125 Ų125100.9 Ų100.967%0.66856%0.556SS**EExtended strand (participates in β ladder)trans-87.8116172.9-60.5-41.8000108.6Q119Q119-N133 CarbonylContact O-C 3.57Å; Q119-N133 WeakPolarHBondContact O-CA 3.48Å
134L82.8Confident71.3Confident29 Ų29107 Ų10715%0.15260%0.596CS.*  trans-94.4110.7174.2-67.1151000105.7V104 S118 Q119 I121V104-L134 HydrophobicContact CB-CD2 4.35Å; V104-L134 HydrophobicContact CG1-CD2 3.91Å; V104-L134 HydrophobicContact CG2-CD1 4.13Å; V104-L134 HydrophobicContact CG2-CD2 3.47Å; V104-L134 VanDerWaalsContact CG2-CD2 3.47Å; V104-L134 HydrophobicContact CG2-CG 4.42Å; S118-L134 WeakPolarHBondContact O-CB 3.37Å; S118-L134 WeakPolarHBondContact O-CD1 3.22Å; Q119-L134 WeakPolarHBondContact CA-O 3.22Å; Q119-L134 PolarHBondContact O-N 2.85Å; I121-L134 HydrophobicContact CB-CD1 4.47Å; I121-L134 HydrophobicContact CD1-CD1 3.89Å; I121-L134 HydrophobicContact CG1-CD1 3.84Å; I121-L134 HydrophobicContact CG2-CD1 3.91Å
135G73.6Confident68.7Low56 Ų56109 Ų10958%0.57760%0.597SS**  trans-52151.8-179.700000112.1V137G135-V137 PolarHBondContact O-N 3.35Å; G135-V137 VanDerWaalsContact O-N 3.12Å
136P64.6Low66.3Low86 Ų86109 Ų10956%0.55861%0.61SS**  trans-58.3119.3177.8-16.428.7000109.6H138P136-H138 PolarHBondContact O-N 3.38Å; P136-H138 VanDerWaalsContact O-N 3.14Å
137V54.5Low63.9Low103 Ų103116.5 Ų116.562%0.62463%0.627SS**  trans-75.5101.8166.9179.80000105.5G135 I139G135-V137 PolarHBondContact O-N 3.35Å; G135-V137 VanDerWaalsContact O-N 3.12Å; V137-I139 PolarHBondContact O-N 2.99Å
138H51.9Low61.8Low173 Ų173116.2 Ų116.280%0.80162%0.624SS**  trans-61106.9169.5-73.7-64.7000108.2P136 G140P136-H138 PolarHBondContact O-N 3.38Å; P136-H138 VanDerWaalsContact O-N 3.14Å; H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.85Å
139I50.2Low59.3Low158 Ų158122.2 Ų122.281%0.8165%0.649SS**  trans-75.689166.8-58.9169.6000105.3V137V137-I139 PolarHBondContact O-N 2.99Å
140G39.6Very low57.1Low65 Ų65120.1 Ų120.167%0.6765%0.651SS**  trans-112.9106.2171.400000108.7H138H138-G140 VanDerWaalsContact C-N 3.26Å; H138-G140 PolarHBondContact O-N 2.85Å
141S39.5Very low55.2Low111 Ų111120.7 Ų120.778%0.77667%0.668SS**  trans9.8128147-178.50000117.3S143S141-S143 PolarHBondContact O-N 3.01Å
142D40.8Very low53.4Low171 Ų171117 Ų11791%0.91465%0.653SS**  trans-37.6117.9164.6-68.3-62.7000112.9
143S42.9Very low52.1Low94 Ų94121.2 Ų121.266%0.65768%0.675SS**  trans-157.3127.8162.1-172.50000108.3S141 E145S141-S143 PolarHBondContact O-N 3.01Å; S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 PolarHBondContact O-N 3.49Å
144P43.3Very low51Low134 Ų134123.8 Ų123.887%0.8768%0.675SS**  trans-80.881.3-179.233.1-30.8000109.3
145E37Very low50.1Low140 Ų140123.9 Ų123.965%0.65468%0.677SS**  trans-119.8129.4174.9-166.663.6-16700109.3S143S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 PolarHBondContact O-N 3.49Å
146P42.4Very low49.8Very low102 Ų102123.1 Ų123.166%0.66266%0.659SS**  trans-64.6140.9-162.724.5-31.3000112.1R148P146-R148 PolarHBondContact O-N 2.95Å
147R41.1Very low49.9Very low248 Ų248119 Ų11994%0.93663%0.633SS**  trans-20.495176.5-70.8-179173.8179.2-0.7114Q149R147-Q149 VanDerWaalsContact C-N 3.25Å; R147-Q149 PolarHBondContact O-N 2.78Å
148R45.7Very low50.3Low225 Ų225116.7 Ų116.785%0.84963%0.629SS**  trans-68.288.2159.8-68.5-172.7-176.2179.22.5108.4P146P146-R148 PolarHBondContact O-N 2.95Å
149Q42Very low51.1Low155 Ų155113.2 Ų113.272%0.72461%0.613SS**  trans-47.5136.5145-72.4174.8-2.700106.4R147 V151R147-Q149 VanDerWaalsContact C-N 3.25Å; R147-Q149 PolarHBondContact O-N 2.78Å; Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 3.24Å
150P42.8Very low51.7Low105 Ų105106.9 Ų106.968%0.68258%0.583SS**  trans-59.8103.8167.624.7-28.6000105.1G152P150-G152 PolarHBondContact O-N 3.3Å
151V52.8Low53Low134 Ų134108.3 Ų108.381%0.81258%0.582SS**  trans-66.782.5174.5-179.70000104.8Q149 L153Q149-V151 VanDerWaalsContact C-N 3.26Å; Q149-V151 PolarHBondContact O-N 3.24Å; V151-L153 PolarHBondContact O-N 3.5Å; V151-L153 VanDerWaalsContact O-N 3.14Å
152G56Low54.2Low16 Ų16106.5 Ų106.517%0.16556%0.564CS.*  trans-62.2114.7171.300000106.2P150 R154P150-G152 PolarHBondContact O-N 3.3Å; G152-R154 PolarHBondContact O-N 3.42Å; G152-R154 VanDerWaalsContact O-N 3.14Å
153L62.4Low55.3Low116 Ų116102.3 Ų102.361%0.60754%0.544SS*.EExtended strand (participates in β ladder)trans-65.8117.8174.2-168.171.8000106.6V151 V155 W166V151-L153 PolarHBondContact O-N 3.5Å; V151-L153 VanDerWaalsContact O-N 3.14Å; L153-V155 HydrophobicContact CB-CG2 4.29Å; L153-V155 HydrophobicContact CD2-CG2 3.9Å; L153-V155 HydrophobicContact CG-CG2 4.02Å; L153-V155 PolarHBondContact O-N 2.9Å; L153-V155 VanDerWaalsContact O-N 3.16Å; L153-W166 PolarHBondContact N-O 2.7Å; L153-W166 PolarHBondContact O-N 3.14Å; L153-W166 VanDerWaalsContact O-N 3.1Å
154R64.6Low56.5Low179 Ų17999 Ų9968%0.67552%0.518SS*.EExtended strand (participates in β ladder)trans-71109.1170.8-72.6-176.1-174.2-125.24.3107.3G152 L165G152-R154 PolarHBondContact O-N 3.42Å; G152-R154 VanDerWaalsContact O-N 3.14Å; R154-L165 HydrophobicContact CG-CD2 3.65Å; R154-L165 HydrophobicContact CG-CG 4.47Å
155V63.6Low57.6Low30 Ų3097.7 Ų97.718%0.18250%0.503CS..EExtended strand (participates in β ladder)trans-107.8133.5178-175.20000108.2L153 F164 W166 V186L153-V155 HydrophobicContact CB-CG2 4.29Å; L153-V155 HydrophobicContact CD2-CG2 3.9Å; L153-V155 HydrophobicContact CG-CG2 4.02Å; L153-V155 PolarHBondContact O-N 2.9Å; L153-V155 VanDerWaalsContact O-N 3.16Å; V155-F164 HydrophobicContact CB-CE1 4.1Å; V155-F164 HydrophobicContact CB-CE2 4.01Å; V155-F164 HydrophobicContact CB-CZ 3.71Å; V155-F164 HydrophobicContact CG1-CE1 4.17Å; V155-F164 HydrophobicContact CG1-CZ 3.85Å; V155-F164 PolarHBondContact N-O 3.16Å; V155-F164 VanDerWaalsContact O-CD1 3.25Å; V155-F164 WeakPolarHBondContact O-CD1 3.24Å; V155-F164 WeakPolarHBondContact O-CE1 3.42Å; V155-F164 PolarHBondContact O-N 3.42Å; V155-W166 HydrophobicContact CG2-CB 4.35Å; V155-V186 HydrophobicContact CG1-CG1 4.34Å; V155-V186 HydrophobicContact CG1-CG2 4.25Å; V155-V186 HydrophobicContact CG2-CG1 4.01Å
156I67.4Low58.7Low40 Ų4094.3 Ų94.321%0.20549%0.485CS..EExtended strand (participates in β ladder)trans-86.7127.6174.5-62.1168.4000107.7G158 T163 I256I156-G158 PolarHBondContact O-N 3.14Å; I156-T163 HydrophobicContact CG1-CG2 3.68Å; I156-I256 HydrophobicContact CD1-CD1 4.39Å
157C67.4Low59.4Low1 Ų193.4 Ų93.41%0.00748%0.478CS..  trans-70.7124.8174.1179.40000110.6H159 C160 S161 N162 F164 S184C157-H159 PolarHBondContact O-N 2.99Å; C157-H159 VanDerWaalsContact O-N 3.1Å; C157-H159 PolarHBondContact SG-N 3.39Å; C157-C160 PolarHBondContact O-N 2.76Å; C157-C160 VanDerWaalsContact SG-SG 3.66Å; C157-S161 VanDerWaalsContact O-CA 3.27Å; C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.32Å; C157-N162 PolarHBondContact N-O 3.49Å; C157-F164 HydrophobicContact CB-CD1 4.35Å; C157-F164 HydrophobicContact CB-CE1 4.1Å; C157-S184 PolarHBondContact SG-OG 2.95Å; C157-S184 VanDerWaalsContact SG-OG 3.35Å
158G62.9Low60Low53 Ų5389.5 Ų89.555%0.54647%0.47SS..THydrogen-bonded Turntrans-65.2-9.7177.800000115.6I156I156-G158 PolarHBondContact O-N 3.14Å
159H67.9Low60.5Low100 Ų10086.3 Ų86.346%0.46347%0.468SS..THydrogen-bonded Turntrans-98.4-31.8179.6-63.9-56.8000114.5C157 S184C157-H159 PolarHBondContact O-N 2.99Å; C157-H159 VanDerWaalsContact O-N 3.1Å; C157-H159 PolarHBondContact SG-N 3.39Å; H159-S184 PolarHBondContact CD2-OG 3.38Å
160C64.4Low60.8Low26 Ų2682.6 Ų82.618%0.17646%0.459CS..THydrogen-bonded Turntrans-131.14.3-175.557.70000114.1C157 N162 C180C157-C160 PolarHBondContact O-N 2.76Å; C157-C160 VanDerWaalsContact SG-SG 3.66Å; C160-N162 PolarHBondContact O-N 3.12Å; C160-C180 WeakPolarHBondContact CB-SG 3.28Å; C160-C180 PolarHBondContact SG-SG 2.98Å
161S65.6Low60.9Low95 Ų9585.3 Ų85.366%0.66447%0.468SS*.  trans55.98.6179.743.90000115.3C157C157-S161 VanDerWaalsContact O-CA 3.27Å; C157-S161 WeakPolarHBondContact O-CA 3.48Å; C157-S161 PolarHBondContact O-N 3.32Å
162N65.2Low60.6Low72 Ų7288.6 Ų88.639%0.38547%0.466SS..  trans-78.2137.9176.3-73.6-25.8000110.5C157 C160C157-N162 PolarHBondContact N-O 3.49Å; C160-N162 PolarHBondContact O-N 3.12Å
163T64.9Low60.5Low83 Ų8392.2 Ų92.251%0.50949%0.485SS..EExtended strand (participates in β ladder)trans-80.6131.8176.249.70000109.8I156I156-T163 HydrophobicContact CG1-CG2 3.68Å
164F67.5Low60.2Low24 Ų2491.7 Ų91.711%0.10548%0.482CS..EExtended strand (participates in β ladder)trans-126.1146.9170.663.8-87.2000110.2V155 C157 W166 V186V155-F164 HydrophobicContact CB-CE1 4.1Å; V155-F164 HydrophobicContact CB-CE2 4.01Å; V155-F164 HydrophobicContact CB-CZ 3.71Å; V155-F164 HydrophobicContact CG1-CE1 4.17Å; V155-F164 HydrophobicContact CG1-CZ 3.85Å; V155-F164 PolarHBondContact N-O 3.16Å; V155-F164 VanDerWaalsContact O-CD1 3.25Å; V155-F164 WeakPolarHBondContact O-CD1 3.24Å; V155-F164 WeakPolarHBondContact O-CE1 3.42Å; V155-F164 PolarHBondContact O-N 3.42Å; C157-F164 HydrophobicContact CB-CD1 4.35Å; C157-F164 HydrophobicContact CB-CE1 4.1Å; F164-W166 HydrophobicContact CD2-CB 4.39Å; F164-W166 HydrophobicContact CD2-CE3 4.25Å; F164-W166 HydrophobicContact CE2-CB 4.12Å; F164-W166 HydrophobicContact CE2-CD2 4.32Å; F164-W166 AromaticContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CZ3 4.41Å; F164-W166 PolarHBondContact O-N 3.1Å; F164-V186 HydrophobicContact CE2-CG2 4.12Å; F164-V186 HydrophobicContact CZ-CG2 3.64Å
165L67.1Low59.8Low107 Ų10783.3 Ų83.356%0.5645%0.451SS*.EExtended strand (participates in β ladder)trans-83.9112.1175.2-74.4160.1000108R154 T167R154-L165 HydrophobicContact CG-CD2 3.65Å; R154-L165 HydrophobicContact CG-CG 4.47Å; L165-T167 PolarHBondContact O-N 3.14Å
166W59.6Low59.7Low69 Ų6991.5 Ų91.526%0.26148%0.479SS..EExtended strand (participates in β ladder)trans-89.693.3174.3-171.3-95.9000108.8L153 V155 F164 A175 V186L153-W166 PolarHBondContact N-O 2.7Å; L153-W166 PolarHBondContact O-N 3.14Å; L153-W166 VanDerWaalsContact O-N 3.1Å; V155-W166 HydrophobicContact CG2-CB 4.35Å; F164-W166 HydrophobicContact CD2-CB 4.39Å; F164-W166 HydrophobicContact CD2-CE3 4.25Å; F164-W166 HydrophobicContact CE2-CB 4.12Å; F164-W166 HydrophobicContact CE2-CD2 4.32Å; F164-W166 AromaticContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CE3 3.61Å; F164-W166 HydrophobicContact CE2-CZ3 4.41Å; F164-W166 PolarHBondContact O-N 3.1Å; W166-A175 HydrophobicContact CE3-CB 3.91Å; W166-A175 HydrophobicContact CH2-CB 3.32Å; W166-A175 HydrophobicContact CZ2-CB 4.36Å; W166-A175 HydrophobicContact CZ3-CB 3.06Å; W166-V186 HydrophobicContact CD2-CG1 4.45Å; W166-V186 HydrophobicContact CG-CG1 4.49Å
167T57.3Low59.6Low84 Ų8489.7 Ų89.752%0.51547%0.47SS..  trans-101.3119.8174.156.40000108.6L165L165-T167 PolarHBondContact O-N 3.14Å
168E54Low59.6Low165 Ų16594.1 Ų94.177%0.77150%0.498SS*.SBendtrans79.199.1174.1-58-178.3167.700116.3S170E168-S170 PolarHBondContact O-N 2.75Å
169I55.7Low59.9Low158 Ų15896.8 Ų96.881%0.8150%0.497SS*.  trans14.176.5133.5-46.7165.9000113.5
170S47.9Very low59.7Low78 Ų7894.5 Ų94.555%0.54549%0.491SS..  trans-90.9114.9161.9-161.10000106.6E168 R172E168-S170 PolarHBondContact O-N 2.75Å; S170-R172 CarbonylContact O-C 3.48Å; S170-R172 PolarHBondContact O-N 2.88Å
171D44.5Very low59.7Low161 Ų161103.6 Ų103.686%0.86152%0.522SS*.SBendtrans-55.710-176.2-99.7-29.8000116.4
172R47.7Very low59.4Low203 Ų203105.2 Ų105.277%0.76652%0.517SS*.SBendtrans-129.4122.3171.3-70.1-174.5167139.5-2.4107.9S170 L174S170-R172 CarbonylContact O-C 3.48Å; S170-R172 PolarHBondContact O-N 2.88Å; R172-L174 PolarHBondContact O-N 3.09Å
173T53.7Low59Low92 Ų92104.9 Ų104.956%0.56452%0.517SS*.SBendtrans-55.617.8178.749.90000115.7S185T173-S185 WeakPolarHBondContact O-CA 3.43Å; T173-S185 WeakPolarHBondContact O-CB 3.37Å
174L54.9Low58.5Low106 Ų106101.7 Ų101.756%0.55550%0.499SS*.  trans-121.399.9-177.7-89.272.4000109.8R172 V183R172-L174 PolarHBondContact O-N 3.09Å; L174-V183 HydrophobicContact CB-CG1 3.61Å; L174-V183 HydrophobicContact CD2-CG1 3.54Å; L174-V183 HydrophobicContact CG-CG1 3.41Å; L174-V183 VanDerWaalsContact CG-CG1 3.41Å
175A56.9Low57.7Low3 Ų3104.3 Ų104.33%0.02552%0.52CS..EExtended strand (participates in β ladder)trans-86.3132.4168.600000109.9W166 V183 S184 V186W166-A175 HydrophobicContact CE3-CB 3.91Å; W166-A175 HydrophobicContact CH2-CB 3.32Å; W166-A175 HydrophobicContact CZ2-CB 4.36Å; W166-A175 HydrophobicContact CZ3-CB 3.06Å; A175-V183 CarbonylContact O-C 3.59Å; A175-V183 WeakPolarHBondContact O-CA 3.21Å; A175-S184 WeakPolarHBondContact CB-O 3.47Å; A175-S184 PolarHBondContact N-O 3.01Å; A175-S184 PolarHBondContact O-N 2.9Å; A175-V186 HydrophobicContact CB-CB 4.26Å; A175-V186 HydrophobicContact CB-CG2 3.41Å; A175-V186 VanDerWaalsContact CB-CG2 3.41Å
176R61.3Low56.9Low201 Ų201100.7 Ų100.776%0.75850%0.502SS*.EExtended strand (participates in β ladder)trans-84.9126164.8-78.1-179.8-172.2179.22.1109.1V183R176-V183 HydrophobicContact CG-CG2 3.92Å
177C66.1Low56.5Low3 Ų398.8 Ų98.82%0.0250%0.504CS..PPolyproline II helixtrans-66.1129.2175.5178.80000110.3H179 R181 K182C177-H179 VanDerWaalsContact C-N 3.25Å; C177-H179 PolarHBondContact O-N 3.09Å; C177-H179 PolarHBondContact SG-N 3.15Å; C177-R181 WeakPolarHBondContact O-CA 3.43Å; C177-R181 PolarHBondContact O-N 2.7Å; C177-K182 PolarHBondContact N-O 3.01Å
178P66.9Low56.2Low93 Ų9398.9 Ų98.960%0.60450%0.498SS*.THydrogen-bonded Turntrans-67.7-24.7178.425.8-33.1000113.1
179H69.3Low55.9Low110 Ų11099.1 Ų99.151%0.50950%0.5SS..THydrogen-bonded Turntrans-84.5-36.3-179.1-61-75.4000113.1C177C177-H179 VanDerWaalsContact C-N 3.25Å; C177-H179 PolarHBondContact O-N 3.09Å; C177-H179 PolarHBondContact SG-N 3.15Å
180C63.4Low55.6Low52 Ų52100 Ų10035%0.35149%0.494SS..THydrogen-bonded Turntrans-120.6-5.6-170.5-61.40000114.2C160 K182C160-C180 WeakPolarHBondContact CB-SG 3.28Å; C160-C180 PolarHBondContact SG-SG 2.98Å; C180-K182 PolarHBondContact O-N 2.74Å
181R64.3Low55.8Low216 Ų21698 Ų9882%0.81548%0.48SS*.  trans54.8-0.9-175.8-62.3-178.8-176.3152.50.6115.8C177C177-R181 WeakPolarHBondContact O-CA 3.43Å; C177-R181 PolarHBondContact O-N 2.7Å
182K58.5Low56.6Low130 Ų13096.3 Ų96.357%0.56546%0.461SS*.  trans-69.7140.5170.7-70.1-178.2-179.1179.10109.6C177 C180 S184C177-K182 PolarHBondContact N-O 3.01Å; C180-K182 PolarHBondContact O-N 2.74Å; K182-S184 PolarHBondContact O-N 3.14Å
183V57.5Low57.4Low65 Ų6596.6 Ų96.639%0.39446%0.462SS..EExtended strand (participates in β ladder)trans-75.1116.9177-179.10000108L174 A175 R176L174-V183 HydrophobicContact CB-CG1 3.61Å; L174-V183 HydrophobicContact CD2-CG1 3.54Å; L174-V183 HydrophobicContact CG-CG1 3.41Å; L174-V183 VanDerWaalsContact CG-CG1 3.41Å; A175-V183 CarbonylContact O-C 3.59Å; A175-V183 WeakPolarHBondContact O-CA 3.21Å; R176-V183 HydrophobicContact CG-CG2 3.92Å
184S54.3Low58.2Low16 Ų1698.6 Ų98.611%0.11246%0.459CS..EExtended strand (participates in β ladder)trans-107.8124.5171.2-61.20000108.5C157 H159 A175 K182 V186C157-S184 PolarHBondContact SG-OG 2.95Å; C157-S184 VanDerWaalsContact SG-OG 3.35Å; H159-S184 PolarHBondContact CD2-OG 3.38Å; A175-S184 WeakPolarHBondContact CB-O 3.47Å; A175-S184 PolarHBondContact N-O 3.01Å; A175-S184 PolarHBondContact O-N 2.9Å; K182-S184 PolarHBondContact O-N 3.14Å; S184-V186 PolarHBondContact O-N 3.24Å; S184-V186 VanDerWaalsContact O-N 3.15Å
185S51.3Low59Low78 Ų7894.5 Ų94.555%0.54544%0.44SS..  trans-72.3109.8174.859.90000109.5T173 G187T173-S185 WeakPolarHBondContact O-CA 3.43Å; T173-S185 WeakPolarHBondContact O-CB 3.37Å; S185-G187 PolarHBondContact O-N 3.05Å
186V49.3Very low59.8Low31 Ų31102.6 Ų102.619%0.18847%0.47CS..  trans-84.796.6174.5176.30000107.1V155 F164 W166 A175 S184V155-V186 HydrophobicContact CG1-CG1 4.34Å; V155-V186 HydrophobicContact CG1-CG2 4.25Å; V155-V186 HydrophobicContact CG2-CG1 4.01Å; F164-V186 HydrophobicContact CE2-CG2 4.12Å; F164-V186 HydrophobicContact CZ-CG2 3.64Å; W166-V186 HydrophobicContact CD2-CG1 4.45Å; W166-V186 HydrophobicContact CG-CG1 4.49Å; A175-V186 HydrophobicContact CB-CB 4.26Å; A175-V186 HydrophobicContact CB-CG2 3.41Å; A175-V186 VanDerWaalsContact CB-CG2 3.41Å; S184-V186 PolarHBondContact O-N 3.24Å; S184-V186 VanDerWaalsContact O-N 3.15Å
187G52.2Low60.8Low30 Ų3097.9 Ų97.931%0.30946%0.459SS..  trans-17294.9178.400000109.7S185 Q189 P191S185-G187 PolarHBondContact O-N 3.05Å; G187-Q189 PolarHBondContact O-N 3.25Å; G187-P191 WeakPolarHBondContact O-CD 3.49Å
188Q49.8Very low61.5Low85 Ų8598.3 Ų98.340%0.39746%0.462SS..SBendtrans-63.7-19.7-179.2-105.9-74.9-2700113.4P255Q188-P255 HydrophobicContact CG-CG 4.48Å
189Q48.7Very low62.2Low171 Ų17196.8 Ų96.880%0.79945%0.446SS*.SBendtrans-105.7-16.4-174.9-67.8-176.2-13.400115G187G187-Q189 PolarHBondContact O-N 3.25Å
190Y49.3Very low63Low176 Ų17694.8 Ų94.869%0.6944%0.438SS*.Hα-helixtrans-81.3-42.6-172.2-159.4-99.3000114.8
191P52.9Low64.1Low37 Ų3796.9 Ų96.924%0.2445%0.446CS..Hα-helixtrans-81.9-27.5178.930-30.8000113.4G187 S195G187-P191 WeakPolarHBondContact O-CD 3.49Å; P191-S195 WeakPolarHBondContact O-CB 3.33Å; P191-S195 PolarHBondContact O-N 3.18Å; P191-S195 VanDerWaalsContact O-N 3.09Å
192R61.2Low65.2Low125 Ų12588.8 Ų88.847%0.47242%0.417SS..Hα-helixtrans-64.8-44.8-179.9-109.8175.1175.8163.1-3.9112.3R194 S195 W196R192-R194 PolarHBondContact O-N 2.86Å; R192-S195 PolarHBondContact O-N 2.93Å; R192-W196 WeakPolarHBondContact O-CB 3.23Å; R192-W196 PolarHBondContact O-N 3.19Å
193R64.6Low66.7Low209 Ų20985.8 Ų85.879%0.78941%0.409SS*.Hα-helixtrans-66.1-39.1-178.7-166.8174.3-176.6-164.30.8112.6L197R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.85Å
194R70.6Confident68.4Low133 Ų13387.3 Ų87.350%0.50242%0.418SS..Hα-helixtrans-75.6-34.9179.8-159.4173.2-171.6175.81.1112.7R192 C198R192-R194 PolarHBondContact O-N 2.86Å; R194-C198 PolarHBondContact O-N 3.43Å; R194-C198 PolarHBondContact O-SG 3.21Å
195S71.1Confident70Confident21 Ų2188.6 Ų88.615%0.14742%0.423CS..Hα-helixtrans-63.2-47.6170.9177.50000111.3P191 R192 L197 C198 F199P191-S195 WeakPolarHBondContact O-CB 3.33Å; P191-S195 PolarHBondContact O-N 3.18Å; P191-S195 VanDerWaalsContact O-N 3.09Å; R192-S195 PolarHBondContact O-N 2.93Å; S195-L197 PolarHBondContact O-N 3.01Å; S195-C198 PolarHBondContact O-N 3.31Å; S195-F199 PolarHBondContact O-N 3.35Å
196W74.1Confident71.8Confident173 Ų17386.3 Ų86.366%0.65541%0.409SS*.Hα-helixtrans-63.1-41.1178.2-158.368.4000112.1R192 C198 F199 L200R192-W196 WeakPolarHBondContact O-CB 3.23Å; R192-W196 PolarHBondContact O-N 3.19Å; W196-C198 PolarHBondContact O-N 2.84Å; W196-F199 PolarHBondContact O-N 3.23Å; W196-L200 HydrophobicContact CD2-CD1 4.18Å; W196-L200 HydrophobicContact CD2-CG 4.35Å; W196-L200 HydrophobicContact CE3-CD1 3.7Å; W196-L200 HydrophobicContact CE3-CG 4.35Å; W196-L200 HydrophobicContact CH2-CD1 3.91Å; W196-L200 HydrophobicContact CZ2-CD1 4.35Å; W196-L200 HydrophobicContact CZ2-CD2 4.41Å; W196-L200 HydrophobicContact CZ3-CD1 3.56Å; W196-L200 WeakPolarHBondContact O-CG 3.37Å; W196-L200 PolarHBondContact O-N 3.12Å
197L81.9Confident73.8Confident101 Ų10187.9 Ų87.953%0.52943%0.425SS..Hα-helixtrans-60.9-42.8173.4-173.367.7000112.8R193 S195 F199 L200 L201R193-L197 WeakPolarHBondContact O-CB 3.38Å; R193-L197 PolarHBondContact O-N 2.85Å; S195-L197 PolarHBondContact O-N 3.01Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; L197-L200 PolarHBondContact O-N 2.75Å; L197-L201 PolarHBondContact O-N 3.14Å
198C80.1Confident75.7Confident12 Ų1289 Ų898%0.08143%0.429CS..Hα-helixtrans-64.9-37.6176.1-67.20000111.8R194 S195 W196 F202R194-C198 PolarHBondContact O-N 3.43Å; R194-C198 PolarHBondContact O-SG 3.21Å; S195-C198 PolarHBondContact O-N 3.31Å; W196-C198 PolarHBondContact O-N 2.84Å; C198-F202 PolarHBondContact O-N 3.46Å; C198-F202 VanDerWaalsContact O-N 3.11Å
199F82.1Confident77.5Confident61 Ų6185.6 Ų85.627%0.26841%0.414SS..Hα-helixtrans-66.2-43.9175.3177.3-107.2000112.2S195 W196 L197 L201 F202 V203S195-F199 PolarHBondContact O-N 3.35Å; W196-F199 PolarHBondContact O-N 3.23Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 3.11Å; F199-F202 WeakPolarHBondContact O-CB 3.38Å; F199-F202 PolarHBondContact O-N 3.5Å; F199-V203 HydrophobicContact CD1-CG2 4.49Å; F199-V203 HydrophobicContact CE1-CG2 4.02Å; F199-V203 HydrophobicContact CE2-CG2 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.28Å; F199-V203 PolarHBondContact O-N 2.82Å
200L85.2Confident79.5Confident68 Ų6881.7 Ų81.736%0.35640%0.402SS..Hα-helixtrans-61.5-41.5175.3-69.7-174.8000112.1W196 L197 F202 V203 V204W196-L200 HydrophobicContact CD2-CD1 4.18Å; W196-L200 HydrophobicContact CD2-CG 4.35Å; W196-L200 HydrophobicContact CE3-CD1 3.7Å; W196-L200 HydrophobicContact CE3-CG 4.35Å; W196-L200 HydrophobicContact CH2-CD1 3.91Å; W196-L200 HydrophobicContact CZ2-CD1 4.35Å; W196-L200 HydrophobicContact CZ2-CD2 4.41Å; W196-L200 HydrophobicContact CZ3-CD1 3.56Å; W196-L200 WeakPolarHBondContact O-CG 3.37Å; W196-L200 PolarHBondContact O-N 3.12Å; L197-L200 PolarHBondContact O-N 2.75Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.9Å; L200-V203 PolarHBondContact O-N 3.13Å; L200-V204 WeakPolarHBondContact O-CG2 3.45Å; L200-V204 PolarHBondContact O-N 3.36Å
201L86.6Confident81.5Confident96 Ų9675.5 Ų75.550%0.50339%0.391SS..Hα-helixtrans-59.5-42.2174.3-80.8171.5000112.3L197 F199 V204 L205L197-L201 PolarHBondContact O-N 3.14Å; F199-L201 VanDerWaalsContact C-N 3.34Å; F199-L201 PolarHBondContact O-N 3.11Å; L201-V204 PolarHBondContact O-N 3.31Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.74Å
202F88.7Confident83.2Confident47 Ų4776.8 Ų76.821%0.20640%0.396CS..Hα-helixtrans-61.5-44.6175.3171.3-101.5000112C198 F199 L200 V204 L205 A206 A237 L241C198-F202 PolarHBondContact O-N 3.46Å; C198-F202 VanDerWaalsContact O-N 3.11Å; F199-F202 WeakPolarHBondContact O-CB 3.38Å; F199-F202 PolarHBondContact O-N 3.5Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 2.9Å; F202-V204 VanDerWaalsContact C-N 3.35Å; F202-V204 PolarHBondContact O-N 3.47Å; F202-L205 PolarHBondContact O-N 2.97Å; F202-A206 HydrophobicContact CZ-CB 4.36Å; F202-A206 WeakPolarHBondContact O-CB 3.43Å; F202-A206 PolarHBondContact O-N 3.29Å; F202-A237 WeakPolarHBondContact CD2-O 3.42Å; F202-L241 HydrophobicContact CD1-CD1 4.31Å; F202-L241 HydrophobicContact CD2-CB 3.78Å; F202-L241 HydrophobicContact CD2-CD1 4.05Å; F202-L241 HydrophobicContact CE1-CD1 3.69Å; F202-L241 HydrophobicContact CE2-CB 3.61Å; F202-L241 HydrophobicContact CE2-CD1 3.4Å; F202-L241 HydrophobicContact CE2-CG 4.11Å; F202-L241 HydrophobicContact CG-CD1 4.48Å; F202-L241 HydrophobicContact CZ-CB 4.34Å; F202-L241 HydrophobicContact CZ-CD1 3.19Å; F202-L241 HydrophobicContact CZ-CG 4.35Å
203V89.2Confident84.5Confident67 Ų6773.3 Ų73.341%0.40639%0.386SS..Hα-helixtrans-61.1-43.4178.5172.70000111.4F199 L200 A206 A207F199-V203 HydrophobicContact CD1-CG2 4.49Å; F199-V203 HydrophobicContact CE1-CG2 4.02Å; F199-V203 HydrophobicContact CE2-CG2 4.14Å; F199-V203 HydrophobicContact CZ-CG2 3.82Å; F199-V203 WeakPolarHBondContact O-CG2 3.28Å; F199-V203 PolarHBondContact O-N 2.82Å; L200-V203 PolarHBondContact O-N 3.13Å; V203-A206 PolarHBondContact O-N 3.44Å; V203-A207 WeakPolarHBondContact O-CB 3.04Å; V203-A207 PolarHBondContact O-N 3.49Å
204V92.3Very high85.7Confident96 Ų9668.6 Ų68.658%0.58238%0.38SS*.Hα-helixtrans-64.1-44.6177.91730000111.3L200 L201 F202 A207 S208L200-V204 WeakPolarHBondContact O-CG2 3.45Å; L200-V204 PolarHBondContact O-N 3.36Å; L201-V204 PolarHBondContact O-N 3.31Å; F202-V204 VanDerWaalsContact C-N 3.35Å; F202-V204 PolarHBondContact O-N 3.47Å; V204-A207 PolarHBondContact O-N 3.09Å; V204-S208 WeakPolarHBondContact O-CB 3.26Å; V204-S208 PolarHBondContact O-N 3.49Å
205L88.3Confident86.5Confident43 Ų4365 Ų6523%0.22539%0.386CS..Hα-helixtrans-65-40.5177.4-72.5173.6000112.1L201 F202 S208 T209 A237 T240L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.74Å; F202-L205 PolarHBondContact O-N 2.97Å; L205-S208 PolarHBondContact O-N 2.96Å; L205-T209 VanDerWaalsContact O-CB 3.31Å; L205-T209 WeakPolarHBondContact O-CB 3.31Å; L205-T209 PolarHBondContact O-N 3.2Å; L205-T209 PolarHBondContact O-OG1 3.3Å; L205-A237 HydrophobicContact CB-CB 4.49Å; L205-T240 HydrophobicContact CD1-CG2 3.81Å
206A89.8Confident87.4Confident30 Ų3065.5 Ų65.525%0.24839%0.388CS..Hα-helixtrans-63.8-45.1176.100000111.5F202 V203 T209 T210F202-A206 HydrophobicContact CZ-CB 4.36Å; F202-A206 WeakPolarHBondContact O-CB 3.43Å; F202-A206 PolarHBondContact O-N 3.29Å; V203-A206 PolarHBondContact O-N 3.44Å; A206-T209 PolarHBondContact O-N 2.88Å; A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 2.96Å
207A92Very high87.7Confident64 Ų6465.4 Ų65.453%0.52939%0.387SS..Hα-helixtrans-62.9-43.5176.300000112V203 V204 G211V203-A207 WeakPolarHBondContact O-CB 3.04Å; V203-A207 PolarHBondContact O-N 3.49Å; V204-A207 PolarHBondContact O-N 3.09Å; A207-G211 PolarHBondContact O-N 3.04Å
208S90.4Very high87.7Confident55 Ų5569.5 Ų69.539%0.38540%0.401SS..Hα-helixtrans-63.1-43176177.80000112.1V204 L205 G211 L212V204-S208 WeakPolarHBondContact O-CB 3.26Å; V204-S208 PolarHBondContact O-N 3.49Å; L205-S208 PolarHBondContact O-N 2.96Å; S208-G211 PolarHBondContact O-N 3.43Å; S208-L212 WeakPolarHBondContact O-CB 3.35Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 3.35Å
209T89.6Confident87.6Confident13 Ų1372.1 Ų72.18%0.0842%0.417CS..Hα-helixtrans-62.5-50.3177.8-560000110.4L205 A206 G211 L212 L213 L233 I234L205-T209 VanDerWaalsContact O-CB 3.31Å; L205-T209 WeakPolarHBondContact O-CB 3.31Å; L205-T209 PolarHBondContact O-N 3.2Å; L205-T209 PolarHBondContact O-OG1 3.3Å; A206-T209 PolarHBondContact O-N 2.88Å; T209-G211 PolarHBondContact O-N 3.47Å; T209-L212 PolarHBondContact O-N 2.94Å; T209-L213 HydrophobicContact CG2-CD1 3.73Å; T209-L213 WeakPolarHBondContact O-CD1 3.32Å; T209-L213 PolarHBondContact O-N 3.18Å; T209-L233 HydrophobicContact CG2-CB 4.42Å; T209-I234 HydrophobicContact CG2-CG1 3.85Å
210T90.3Very high87.4Confident89 Ų8969.3 Ų69.355%0.54641%0.405SS..Hα-helixtrans-60.7-43.6177.1-560000111.9A206 L212 L213 V214A206-T210 PolarHBondContact O-N 3.05Å; A206-T210 PolarHBondContact O-OG1 2.96Å; T210-L212 VanDerWaalsContact C-N 3.34Å; T210-L212 PolarHBondContact O-N 2.98Å; T210-L213 PolarHBondContact O-N 2.86Å; T210-V214 WeakPolarHBondContact O-CG2 3.46Å; T210-V214 PolarHBondContact O-N 3.11Å
211G90.7Very high86.9Confident46 Ų4674.1 Ų74.147%0.47443%0.426SS..Hα-helixtrans-61.4-40.7176.700000112.7A207 S208 T209 G215A207-G211 PolarHBondContact O-N 3.04Å; S208-G211 PolarHBondContact O-N 3.43Å; T209-G211 PolarHBondContact O-N 3.47Å; G211-G215 PolarHBondContact O-N 3.22Å
212L89.3Confident86.5Confident64 Ų6478.4 Ų78.434%0.33544%0.443SS..Hα-helixtrans-69.2-41.7175.7-76.2168.5000112S208 T209 T210 V214 G215 T216 L233S208-L212 WeakPolarHBondContact O-CB 3.35Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 3.35Å; T209-L212 PolarHBondContact O-N 2.94Å; T210-L212 VanDerWaalsContact C-N 3.34Å; T210-L212 PolarHBondContact O-N 2.98Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.44Å; L212-G215 PolarHBondContact O-N 3.49Å; L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 3.23Å; L212-T216 PolarHBondContact O-OG1 3.41Å; L212-L233 HydrophobicContact CD1-CD1 3.23Å
213L87.5Confident86.1Confident51 Ų5178.5 Ų78.527%0.26745%0.449SS..Hα-helixtrans-58.8-45.9175.9-94.974.6000111.4T209 T210 W217 W230T209-L213 HydrophobicContact CG2-CD1 3.73Å; T209-L213 WeakPolarHBondContact O-CD1 3.32Å; T209-L213 PolarHBondContact O-N 3.18Å; T210-L213 PolarHBondContact O-N 2.86Å; L213-W217 WeakPolarHBondContact O-CB 3.39Å; L213-W217 PolarHBondContact O-N 3Å; L213-W230 HydrophobicContact CD1-CB 4.4Å; L213-W230 HydrophobicContact CD1-CD2 4.16Å; L213-W230 HydrophobicContact CD1-CG 3.98Å; L213-W230 HydrophobicContact CG-CD2 4.19Å; L213-W230 HydrophobicContact CG-CE3 4.46Å
214V90.3Very high85.8Confident110 Ų11084.1 Ų84.167%0.66747%0.468SS*.Hα-helixtrans-69.7-47.3179.2176.10000111.1T210 L212 T216 W217T210-V214 WeakPolarHBondContact O-CG2 3.46Å; T210-V214 PolarHBondContact O-N 3.11Å; L212-V214 VanDerWaalsContact C-N 3.33Å; L212-V214 PolarHBondContact O-N 3.44Å; V214-T216 PolarHBondContact O-N 3.47Å; V214-W217 PolarHBondContact O-N 3Å
215G87Confident85.4Confident59 Ų5982 Ų8261%0.60847%0.466SS*.Hα-helixtrans-69.8-30.4-175.900000113.9G211 L212G211-G215 PolarHBondContact O-N 3.22Å; L212-G215 PolarHBondContact O-N 3.49Å
216T89.3Confident85.3Confident31 Ų3181.5 Ų81.519%0.1946%0.463CS..THydrogen-bonded Turntrans-1039.5-178.663.80000113.7L212 V214 K218 P219 A220 W230L212-T216 WeakPolarHBondContact O-CB 3.48Å; L212-T216 PolarHBondContact O-N 3.23Å; L212-T216 PolarHBondContact O-OG1 3.41Å; V214-T216 PolarHBondContact O-N 3.47Å; T216-K218 PolarHBondContact O-N 2.89Å; T216-P219 VanDerWaalsContact O-CD 3.24Å; T216-P219 WeakPolarHBondContact O-CD 3.48Å; T216-P219 WeakPolarHBondContact O-CG 3.49Å; T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 3.05Å; T216-W230 VanDerWaalsContact OG1-CZ2 3.24Å; T216-W230 WeakPolarHBondContact OG1-CZ2 3.42Å; T216-W230 PolarHBondContact OG1-NE1 3.02Å
217W81.3Confident85.1Confident170 Ų17085.2 Ų85.264%0.64447%0.472SS*.THydrogen-bonded Turntrans-56.4-44.3-178-167.4-92.9000113.9L213 V214 W230L213-W217 WeakPolarHBondContact O-CB 3.39Å; L213-W217 PolarHBondContact O-N 3Å; V214-W217 PolarHBondContact O-N 3Å; W217-W230 HydrophobicContact CE3-CH2 4.44Å
218K82.6Confident84.9Confident188 Ų18887 Ų8782%0.81748%0.476SS*.THydrogen-bonded Turntrans-73.6-48.3177.9-63.7-160.9178.4-1750113.7T216 A220T216-K218 PolarHBondContact O-N 2.89Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.24Å
219P78.4Confident84.7Confident66 Ų6687 Ų8743%0.42948%0.476SS..G310 helixtrans-73.5-17.3179.926.7-35.3000114.6T216 Q221 H222 I226T216-P219 VanDerWaalsContact O-CD 3.24Å; T216-P219 WeakPolarHBondContact O-CD 3.48Å; T216-P219 WeakPolarHBondContact O-CG 3.49Å; P219-Q221 PolarHBondContact O-N 2.98Å; P219-H222 PolarHBondContact O-N 3.38Å; P219-I226 HydrophobicContact CB-CD1 4.16Å; P219-I226 HydrophobicContact CG-CD1 4.45Å
220A76Confident84.7Confident2 Ų287.9 Ų87.92%0.01748%0.478CS..G310 helixtrans-57.7-30.2178.100000113.1T216 K218 H222 I226 Y227 W230T216-A220 WeakPolarHBondContact O-CB 3.43Å; T216-A220 PolarHBondContact O-N 3.05Å; K218-A220 VanDerWaalsContact C-N 3.31Å; K218-A220 PolarHBondContact O-N 3.24Å; A220-H222 PolarHBondContact O-N 3.45Å; A220-I226 HydrophobicContact CB-CB 4.5Å; A220-I226 HydrophobicContact CB-CG2 3.99Å; A220-Y227 HydrophobicContact CB-CE2 4.44Å; A220-Y227 WeakPolarHBondContact O-CE2 3.36Å; A220-W230 HydrophobicContact CB-CH2 3.64Å; A220-W230 HydrophobicContact CB-CZ2 3.84Å; A220-W230 HydrophobicContact CB-CZ3 4.46Å
221Q75.1Confident84.7Confident170 Ų17088 Ų8879%0.79448%0.478SS*.G310 helixtrans-67.7-20.7-178.7-64.6-153.4-15.100114.1P219P219-Q221 PolarHBondContact O-N 2.98Å
222H79.6Confident84.7Confident186 Ų18690.9 Ų90.986%0.86148%0.482SS*.THydrogen-bonded Turntrans-99-23.2-175.7-159.553.1000113.5P219 A220P219-H222 PolarHBondContact O-N 3.38Å; A220-H222 PolarHBondContact O-N 3.45Å
223S79.6Confident84.6Confident48 Ų4889.2 Ų89.234%0.33647%0.474SS..  trans-130.9117.9-173.861.40000112.5G225 I226S223-G225 PolarHBondContact O-N 3.46Å; S223-I226 PolarHBondContact O-N 2.94Å; S223-I226 WeakPolarHBondContact OG-CD1 3.49Å; S223-I226 VanDerWaalsContact OG-CG1 3.32Å; S223-I226 WeakPolarHBondContact OG-CG1 3.4Å
224K82.3Confident84.7Confident185 Ų18590.2 Ų90.280%0.80448%0.478SS*.Hα-helixtrans-64.2-22.4-179.7-66.1179.7-179.2172.70113.3I226 Y227K224-I226 VanDerWaalsContact C-N 3.29Å; K224-I226 PolarHBondContact O-N 3.37Å; K224-Y227 PolarHBondContact O-N 3.32Å
225G83.9Confident84.9Confident51 Ų5189 Ų8953%0.52647%0.471SS..Hα-helixtrans-66-27179.200000114.2S223 Y227 V228 S229S223-G225 PolarHBondContact O-N 3.46Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; G225-V228 PolarHBondContact O-N 2.92Å; G225-S229 PolarHBondContact O-N 2.99Å
226I85.6Confident85Confident34 Ų3490.1 Ų90.117%0.17446%0.462CS..Hα-helixtrans-67.6-37.7178-64.2177000110.6P219 A220 S223 K224 V228 S229 W230P219-I226 HydrophobicContact CB-CD1 4.16Å; P219-I226 HydrophobicContact CG-CD1 4.45Å; A220-I226 HydrophobicContact CB-CB 4.5Å; A220-I226 HydrophobicContact CB-CG2 3.99Å; S223-I226 PolarHBondContact O-N 2.94Å; S223-I226 WeakPolarHBondContact OG-CD1 3.49Å; S223-I226 VanDerWaalsContact OG-CG1 3.32Å; S223-I226 WeakPolarHBondContact OG-CG1 3.4Å; K224-I226 VanDerWaalsContact C-N 3.29Å; K224-I226 PolarHBondContact O-N 3.37Å; I226-V228 PolarHBondContact O-N 3.37Å; I226-S229 WeakPolarHBondContact O-CB 3.44Å; I226-S229 PolarHBondContact O-N 3.4Å; I226-W230 HydrophobicContact CG2-CD2 4.49Å; I226-W230 HydrophobicContact CG2-CZ2 4Å; I226-W230 PolarHBondContact O-N 2.69Å
227Y85.8Confident85Confident108 Ų10889.2 Ų89.242%0.42446%0.458SS..Hα-helixtrans-64.7-38.8175-66.6-75000112.6A220 K224 G225 S229 W230 V231A220-Y227 HydrophobicContact CB-CE2 4.44Å; A220-Y227 WeakPolarHBondContact O-CE2 3.36Å; K224-Y227 PolarHBondContact O-N 3.32Å; G225-Y227 VanDerWaalsContact C-N 3.34Å; Y227-S229 VanDerWaalsContact C-N 3.3Å; Y227-S229 PolarHBondContact O-N 2.86Å; Y227-W230 AromaticContact CD1-CE3 3.85Å; Y227-W230 HydrophobicContact CD1-CE3 3.85Å; Y227-W230 AromaticContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CE1-CE3 4.16Å; Y227-W230 HydrophobicContact CE1-CH2 4.46Å; Y227-W230 AromaticContact CE1-CZ3 3.73Å; Y227-W230 HydrophobicContact CE1-CZ3 3.73Å; Y227-W230 PolarHBondContact O-N 3.44Å; Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 2.88Å
228V87.8Confident85.4Confident101 Ų10185.6 Ų85.661%0.61245%0.451SS*.Hα-helixtrans-62.4-40.3176.1-179.70000110.7G225 I226 V231 L232G225-V228 PolarHBondContact O-N 2.92Å; I226-V228 PolarHBondContact O-N 3.37Å; V228-V231 PolarHBondContact O-N 3.44Å; V228-L232 WeakPolarHBondContact O-CB 3.34Å; V228-L232 PolarHBondContact O-N 2.95Å
229S87.3Confident85.7Confident56 Ų5682.9 Ų82.939%0.39244%0.439SS..Hα-helixtrans-62.7-44174.6-176.20000112.3G225 I226 Y227 L232 L233G225-S229 PolarHBondContact O-N 2.99Å; I226-S229 WeakPolarHBondContact O-CB 3.44Å; I226-S229 PolarHBondContact O-N 3.4Å; Y227-S229 VanDerWaalsContact C-N 3.3Å; Y227-S229 PolarHBondContact O-N 2.86Å; S229-L232 PolarHBondContact O-N 2.93Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 3.42Å
230W88.4Confident86Confident30 Ų3081.1 Ų81.111%0.11443%0.428CS..Hα-helixtrans-60.7-47.1175.5-66.6-3.4000112.1L213 T216 W217 A220 I226 Y227 L232 L233 I234L213-W230 HydrophobicContact CD1-CB 4.4Å; L213-W230 HydrophobicContact CD1-CD2 4.16Å; L213-W230 HydrophobicContact CD1-CG 3.98Å; L213-W230 HydrophobicContact CG-CD2 4.19Å; L213-W230 HydrophobicContact CG-CE3 4.46Å; T216-W230 VanDerWaalsContact OG1-CZ2 3.24Å; T216-W230 WeakPolarHBondContact OG1-CZ2 3.42Å; T216-W230 PolarHBondContact OG1-NE1 3.02Å; W217-W230 HydrophobicContact CE3-CH2 4.44Å; A220-W230 HydrophobicContact CB-CH2 3.64Å; A220-W230 HydrophobicContact CB-CZ2 3.84Å; A220-W230 HydrophobicContact CB-CZ3 4.46Å; I226-W230 HydrophobicContact CG2-CD2 4.49Å; I226-W230 HydrophobicContact CG2-CZ2 4Å; I226-W230 PolarHBondContact O-N 2.69Å; Y227-W230 AromaticContact CD1-CE3 3.85Å; Y227-W230 HydrophobicContact CD1-CE3 3.85Å; Y227-W230 AromaticContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CD1-CZ3 3.91Å; Y227-W230 HydrophobicContact CE1-CE3 4.16Å; Y227-W230 HydrophobicContact CE1-CH2 4.46Å; Y227-W230 AromaticContact CE1-CZ3 3.73Å; Y227-W230 HydrophobicContact CE1-CZ3 3.73Å; Y227-W230 PolarHBondContact O-N 3.44Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.41Å; W230-L233 PolarHBondContact O-N 2.86Å; W230-I234 WeakPolarHBondContact O-CB 3.26Å; W230-I234 WeakPolarHBondContact O-CD1 3.49Å; W230-I234 WeakPolarHBondContact O-CG1 3.34Å; W230-I234 PolarHBondContact O-N 3.32Å
231V91.4Very high86.4Confident92 Ų9283.8 Ų83.856%0.55844%0.441SS*.Hα-helixtrans-61-44.6178.9172.80000110.7Y227 V228 L233 I234 V235Y227-V231 WeakPolarHBondContact O-CG2 3.42Å; Y227-V231 PolarHBondContact O-N 2.88Å; V228-V231 PolarHBondContact O-N 3.44Å; V231-L233 PolarHBondContact O-N 3.42Å; V231-I234 PolarHBondContact O-N 3.47Å; V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CB 3.18Å; V231-V235 VanDerWaalsContact O-CG2 3.26Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 3Å
232L89.8Confident86.9Confident107 Ų10781.2 Ų81.256%0.5643%0.432SS*.Hα-helixtrans-60.6-44.9178.4-174.968.5000112V228 S229 W230 V235 L236V228-L232 WeakPolarHBondContact O-CB 3.34Å; V228-L232 PolarHBondContact O-N 2.95Å; S229-L232 PolarHBondContact O-N 2.93Å; W230-L232 VanDerWaalsContact C-N 3.34Å; W230-L232 PolarHBondContact O-N 3.41Å; L232-V235 PolarHBondContact O-N 3.32Å; L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 2.96Å
233L88.1Confident87.1Confident29 Ų2977.5 Ų77.515%0.15241%0.41CS..Hα-helixtrans-67.7-39.5179.2-72.7172.6000112.6T209 L212 S229 W230 V231 L236 A237T209-L233 HydrophobicContact CG2-CB 4.42Å; L212-L233 HydrophobicContact CD1-CD1 3.23Å; S229-L233 WeakPolarHBondContact O-CG 3.39Å; S229-L233 PolarHBondContact O-N 3.42Å; W230-L233 PolarHBondContact O-N 2.86Å; V231-L233 PolarHBondContact O-N 3.42Å; L233-L236 PolarHBondContact O-N 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.02Å
234I89.8Confident87Confident72 Ų7275.5 Ų75.537%0.36940%0.396SS..Hα-helixtrans-63-43.9174.9-69.4165.2000110.4T209 W230 V231 A237 L238T209-I234 HydrophobicContact CG2-CG1 3.85Å; W230-I234 WeakPolarHBondContact O-CB 3.26Å; W230-I234 WeakPolarHBondContact O-CD1 3.49Å; W230-I234 WeakPolarHBondContact O-CG1 3.34Å; W230-I234 PolarHBondContact O-N 3.32Å; V231-I234 PolarHBondContact O-N 3.47Å; I234-A237 PolarHBondContact O-N 3.48Å; I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.34Å; I234-L238 PolarHBondContact O-N 3.03Å
235V93Very high86.8Confident85 Ų8571.5 Ų71.552%0.51538%0.382SS..Hα-helixtrans-63-43.1177.1170.70000111.3V231 L232 L238 F239V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CB 3.18Å; V231-V235 VanDerWaalsContact O-CG2 3.26Å; V231-V235 WeakPolarHBondContact O-CG2 3.39Å; V231-V235 PolarHBondContact O-N 3Å; L232-V235 PolarHBondContact O-N 3.32Å; V235-L238 PolarHBondContact O-N 3.44Å; V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 3.43Å
236L89.9Confident86.5Confident81 Ų8176.4 Ų76.442%0.42439%0.386SS..Hα-helixtrans-64-40.1175.4-73.2168.5000112.2L232 L233 F239 T240L232-L236 HydrophobicContact CG-CD1 4.24Å; L232-L236 WeakPolarHBondContact O-CG 3.33Å; L232-L236 PolarHBondContact O-N 2.96Å; L233-L236 PolarHBondContact O-N 3.26Å; L236-F239 PolarHBondContact O-N 3.03Å; L236-T240 WeakPolarHBondContact O-CG2 3.39Å; L236-T240 PolarHBondContact O-N 2.92Å; L236-T240 PolarHBondContact O-OG1 3.44Å
237A89.6Confident85.7Confident12 Ų1278.4 Ų78.410%0.09939%0.391CS..Hα-helixtrans-64.3-42.617500000111.6F202 L205 L233 I234 T240 L241F202-A237 WeakPolarHBondContact CD2-O 3.42Å; L205-A237 HydrophobicContact CB-CB 4.49Å; L233-A237 WeakPolarHBondContact O-CB 3.31Å; L233-A237 PolarHBondContact O-N 3.02Å; I234-A237 PolarHBondContact O-N 3.48Å; A237-T240 WeakPolarHBondContact CA-OG1 3.42Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-T240 PolarHBondContact O-OG1 3.01Å; A237-L241 VanDerWaalsContact O-CB 3.31Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.32Å
238L89.8Confident84.7Confident94 Ų9480.7 Ų80.749%0.49240%0.399SS..Hα-helixtrans-64.6-43176-73.6170.7000112.2I234 V235 T240 L241 I242I234-L238 HydrophobicContact CG2-CD1 4.03Å; I234-L238 HydrophobicContact CG2-CG 4.46Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 WeakPolarHBondContact O-CG 3.34Å; I234-L238 PolarHBondContact O-N 3.03Å; V235-L238 PolarHBondContact O-N 3.44Å; L238-T240 PolarHBondContact O-N 3.27Å; L238-L241 WeakPolarHBondContact O-CB 3.07Å; L238-L241 PolarHBondContact O-N 3.18Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.24Å; L238-I242 PolarHBondContact O-N 3.43Å
239F89Confident83.3Confident131 Ų13180.4 Ų80.458%0.57540%0.4SS*.Hα-helixtrans-61.8-44177-180-101.4000112V235 L236 I242 R243V235-F239 WeakPolarHBondContact O-CB 3.36Å; V235-F239 PolarHBondContact O-N 3.43Å; L236-F239 PolarHBondContact O-N 3.03Å; F239-I242 PolarHBondContact O-N 3.4Å; F239-R243 WeakPolarHBondContact O-CB 3.36Å; F239-R243 PolarHBondContact O-N 3.45Å; F239-R243 VanDerWaalsContact O-N 3.11Å
240T85.1Confident82Confident30 Ų3083.6 Ų83.618%0.18441%0.407CS..Hα-helixtrans-69.4-34.1176.954.30000112.5L205 L236 A237 L238 A244L205-T240 HydrophobicContact CD1-CG2 3.81Å; L236-T240 WeakPolarHBondContact O-CG2 3.39Å; L236-T240 PolarHBondContact O-N 2.92Å; L236-T240 PolarHBondContact O-OG1 3.44Å; A237-T240 WeakPolarHBondContact CA-OG1 3.42Å; A237-T240 PolarHBondContact O-N 3.37Å; A237-T240 PolarHBondContact O-OG1 3.01Å; L238-T240 PolarHBondContact O-N 3.27Å; T240-A244 VanDerWaalsContact O-CB 3.26Å; T240-A244 WeakPolarHBondContact O-CB 3.12Å; T240-A244 PolarHBondContact O-N 2.9Å
241L83.8Confident79.8Confident58 Ų5891.6 Ų91.630%0.30444%0.443SS..Hα-helixtrans-61.4-52.3171.3-175.799.7000111.4F202 A237 L238 R243 A244 M245F202-L241 HydrophobicContact CD1-CD1 4.31Å; F202-L241 HydrophobicContact CD2-CB 3.78Å; F202-L241 HydrophobicContact CD2-CD1 4.05Å; F202-L241 HydrophobicContact CE1-CD1 3.69Å; F202-L241 HydrophobicContact CE2-CB 3.61Å; F202-L241 HydrophobicContact CE2-CD1 3.4Å; F202-L241 HydrophobicContact CE2-CG 4.11Å; F202-L241 HydrophobicContact CG-CD1 4.48Å; F202-L241 HydrophobicContact CZ-CB 4.34Å; F202-L241 HydrophobicContact CZ-CD1 3.19Å; F202-L241 HydrophobicContact CZ-CG 4.35Å; A237-L241 VanDerWaalsContact O-CB 3.31Å; A237-L241 WeakPolarHBondContact O-CB 3.32Å; A237-L241 PolarHBondContact O-N 3.32Å; L238-L241 WeakPolarHBondContact O-CB 3.07Å; L238-L241 PolarHBondContact O-N 3.18Å; L241-R243 PolarHBondContact O-N 3.24Å; L241-A244 CarbonylContact O-C 3.53Å; L241-A244 PolarHBondContact O-N 3.34Å; L241-A244 VanDerWaalsContact O-N 3.13Å; L241-M245 HydrophobicContact CG-CG 4.34Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.35Å; L241-M245 PolarHBondContact O-N 2.88Å
242I85.4Confident78Confident116 Ų11690.5 Ų90.560%0.59543%0.433SS*.Hα-helixtrans-57.1-44.4-179.8-69.9163.7000109.9L238 F239 M245 Y246L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.24Å; L238-I242 PolarHBondContact O-N 3.43Å; F239-I242 PolarHBondContact O-N 3.4Å; I242-M245 PolarHBondContact O-N 2.89Å; I242-Y246 WeakPolarHBondContact O-CB 3.39Å; I242-Y246 PolarHBondContact O-N 3.39Å
243R83.4Confident75.7Confident107 Ų10787.8 Ų87.840%0.40442%0.423SS..Hα-helixtrans-64-50176.1-174170.7150.9149.9-8.9110.9F239 L241 M245 Y246 W247F239-R243 WeakPolarHBondContact O-CB 3.36Å; F239-R243 PolarHBondContact O-N 3.45Å; F239-R243 VanDerWaalsContact O-N 3.11Å; L241-R243 PolarHBondContact O-N 3.24Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 2.89Å; R243-Y246 WeakPolarHBondContact O-CB 3.49Å; R243-Y246 PolarHBondContact O-N 3.32Å; R243-Y246 VanDerWaalsContact O-N 3.12Å; R243-W247 PolarHBondContact O-N 3.19Å
244A78.6Confident73.7Confident6 Ų691.7 Ų91.75%0.0544%0.444CS..Hα-helixtrans-59.4-39.8177.900000112.5T240 L241 W247 R248T240-A244 VanDerWaalsContact O-CB 3.26Å; T240-A244 WeakPolarHBondContact O-CB 3.12Å; T240-A244 PolarHBondContact O-N 2.9Å; L241-A244 CarbonylContact O-C 3.53Å; L241-A244 PolarHBondContact O-N 3.34Å; L241-A244 VanDerWaalsContact O-N 3.13Å; A244-W247 PolarHBondContact O-N 3.23Å; A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 WeakPolarHBondContact O-CG 3.17Å; A244-R248 PolarHBondContact O-N 2.92Å
245M76.8Confident71.6Confident102 Ų10291.5 Ų91.550%0.50245%0.448SS..Hα-helixtrans-64.2-42.8173.2-75.2-149.171.700111.5L241 I242 R243 W247 R248 C249L241-M245 HydrophobicContact CG-CG 4.34Å; L241-M245 WeakPolarHBondContact O-CB 3.35Å; L241-M245 WeakPolarHBondContact O-CG 3.35Å; L241-M245 PolarHBondContact O-N 2.88Å; I242-M245 PolarHBondContact O-N 2.89Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 2.89Å; M245-W247 VanDerWaalsContact C-N 3.29Å; M245-W247 PolarHBondContact O-N 3.43Å; M245-R248 PolarHBondContact O-N 2.57Å; M245-R248 VanDerWaalsContact O-N 3.14Å; M245-C249 VanDerWaalsContact O-CB 3.23Å; M245-C249 WeakPolarHBondContact O-CB 3.42Å; M245-C249 PolarHBondContact O-N 3.5Å; M245-C249 PolarHBondContact O-SG 2.86Å
246Y78.8Confident69.4Low153 Ų15394 Ų9460%0.646%0.456SS*.Hα-helixtrans-56.3-43.9173.4176.8-93.9000111.8I242 R243 F250I242-Y246 WeakPolarHBondContact O-CB 3.39Å; I242-Y246 PolarHBondContact O-N 3.39Å; R243-Y246 WeakPolarHBondContact O-CB 3.49Å; R243-Y246 PolarHBondContact O-N 3.32Å; R243-Y246 VanDerWaalsContact O-N 3.12Å; Y246-F250 PolarHBondContact O-N 3.2Å
247W69.5Low67.4Low76 Ų7694.6 Ų94.629%0.28847%0.467SS..Hα-helixtrans-73.4-29.1176.5-67.199.4000113.7R243 A244 M245 F250R243-W247 PolarHBondContact O-N 3.19Å; A244-W247 PolarHBondContact O-N 3.23Å; M245-W247 VanDerWaalsContact C-N 3.29Å; M245-W247 PolarHBondContact O-N 3.43Å; W247-F250 WeakPolarHBondContact O-CB 3.07Å
248R63.3Low65.1Low157 Ų157101 Ų10159%0.59250%0.5SS*.Hα-helixtrans-77.9-37.2174.9-80.9-160.6178.7-161.50.4113.3A244 M245 F250A244-R248 WeakPolarHBondContact O-CB 3.24Å; A244-R248 WeakPolarHBondContact O-CG 3.17Å; A244-R248 PolarHBondContact O-N 2.92Å; M245-R248 PolarHBondContact O-N 2.57Å; M245-R248 VanDerWaalsContact O-N 3.14Å; R248-F250 PolarHBondContact O-N 3.32Å
249C59.3Low62.9Low94 Ų94103.7 Ų103.764%0.63551%0.514SS*.Hα-helixtrans-72.3-16.6174.6-68.40000111.6M245 K251M245-C249 VanDerWaalsContact O-CB 3.23Å; M245-C249 WeakPolarHBondContact O-CB 3.42Å; M245-C249 PolarHBondContact O-N 3.5Å; M245-C249 PolarHBondContact O-SG 2.86Å; C249-K251 VanDerWaalsContact C-N 3.25Å; C249-K251 PolarHBondContact O-N 3.24Å
250F58.8Low60.3Low123 Ų123107 Ų10754%0.53955%0.545SS..SBendtrans-68.188.6166-152.5-94.8000109.2Y246 W247 R248 I252Y246-F250 PolarHBondContact O-N 3.2Å; W247-F250 WeakPolarHBondContact O-CB 3.07Å; R248-F250 PolarHBondContact O-N 3.32Å; F250-I252 PolarHBondContact O-N 3.45Å
251K43.2Very low59.1Low199 Ų199110.9 Ų110.987%0.86556%0.563SS**  trans-58.1114.5-177.3-153.8165.8-176.7163.70109.7C249C249-K251 VanDerWaalsContact C-N 3.25Å; C249-K251 PolarHBondContact O-N 3.24Å
252I53.5Low57.8Low69 Ų69113.7 Ų113.735%0.35458%0.577SS.*PPolyproline II helixtrans-98.4124.1176.9-70.7158.6000107.7F250F250-I252 PolarHBondContact O-N 3.45Å
253S41.8Very low56.3Low49 Ų49113.6 Ų113.634%0.34358%0.576SS.*PPolyproline II helixtrans-77131175.549.10000111.1
254D45.8Very low54.7Low111 Ų111113.9 Ų113.959%0.59459%0.586SS**PPolyproline II helixtrans-73.8137.6179.4-67.2-52.6000112.1
255P45.5Very low53.2Low69 Ų69120.7 Ų120.745%0.44862%0.619SS.*PPolyproline II helixtrans-79126.8170.730.6-28.6000109.5Q188 S257Q188-P255 HydrophobicContact CG-CG 4.48Å; P255-S257 PolarHBondContact O-N 3.45Å
256I46.7Very low51.6Low136 Ų136121.9 Ų121.970%0.69763%0.627SS**  trans-71.395.5167.6-58165.7000106.6I156 N258I156-I256 HydrophobicContact CD1-CD1 4.39Å; I256-N258 PolarHBondContact O-N 3.19Å; I256-N258 VanDerWaalsContact O-N 3.09Å
257S48.2Very low49.7Very low94 Ų94119.7 Ų119.766%0.65763%0.629SS**  trans-72.792.9165.650.40000108P255 I259P255-S257 PolarHBondContact O-N 3.45Å; S257-I259 VanDerWaalsContact C-N 3.3Å; S257-I259 PolarHBondContact O-N 2.86Å; S257-I259 VanDerWaalsContact O-N 3.09Å
258N40.3Very low48.2Very low147 Ų147123.1 Ų123.179%0.78666%0.655SS**  trans-73.296159-101.1-35.5000106.9I256I256-N258 PolarHBondContact O-N 3.19Å; I256-N258 VanDerWaalsContact O-N 3.09Å
259I44.5Very low46.9Very low151 Ų151120.3 Ų120.377%0.77466%0.661SS**  trans-78.1113.7164.8-61.8166.9000105.4S257S257-I259 VanDerWaalsContact C-N 3.3Å; S257-I259 PolarHBondContact O-N 2.86Å; S257-I259 VanDerWaalsContact O-N 3.09Å
260T35.2Very low45.8Very low201 Ų201122.6 Ų122.6100%1.23366%0.663SS**  trans-142.60157.6-51.20000107.2

Retrieved 260 of 260 residues in 229 ms (Link to these results)