A0A087Y1K6_POEFO Loading...

Ubiquitin family domain containing 1

AlphaFold DB , UniProt , Accession A0A087Y1K6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1M43.5Very low40.2Very low238 Ų238125.5 Ų125.5100%1.17277%0.77SS**  094.30-73.6168.8167.100105
2A42.2Very low40.3Very low94 Ų94128.2 Ų128.278%0.77777%0.77SS**  53.5116.876.300000108.9
3T45.5Very low40.1Very low126 Ų126127.4 Ų127.477%0.77376%0.759SS**  cis-158.3149.542.150.40000108
4Q45.7Very low39.6Very low170 Ų170126.4 Ų126.479%0.79476%0.755SS**  47.4143.867.5-73.9-157.6-60.900112.4
5D43.7Very low39.1Very low136 Ų136129.6 Ų129.673%0.72776%0.759SS**  cis-178.7176.8-1.2-122.4-75.2000104
6G37.5Very low38.7Very low65 Ų65129.1 Ų129.167%0.6776%0.758SS**  trans110.599.7152.900000113.9
7D37.9Very low38.6Very low154 Ų154132.5 Ų132.582%0.82477%0.765SS**  cis79.4137.349.6-160.8-134.5000114.3
8D37.4Very low38.4Very low145 Ų145130.7 Ų130.778%0.77577%0.768SS**  trans86.7137149.5-141.4-113.6000122.3
9G32.2Very low38.2Very low53 Ų53132.8 Ų132.855%0.54677%0.767SS.*  trans12294.5141.300000112.9
10A35.7Very low38.3Very low88 Ų88132.5 Ų132.573%0.72777%0.769SS**  77.6132.585.800000110.5
11V40.3Very low37.9Very low112 Ų112131.1 Ų131.168%0.67976%0.763SS**  cis178157.926.2-106.30000108.1
12M42.1Very low37.4Very low157 Ų157128.1 Ų128.177%0.77375%0.746SS**  trans68143.8137-76.4160.8-178.300119.1
13D37.7Very low36.9Very low118 Ų118127.7 Ų127.763%0.63174%0.742SS**  cis-164.6131.815.2-105.4-42.2000106.5
14T32.4Very low36.3Very low114 Ų114130.6 Ų130.670%0.69975%0.747SS**  67.1146.791.963.20000117.6
15E33.1Very low35.6Very low174 Ų174126 Ų12681%0.81374%0.738SS**  trans84.2140172.9-63.8-167.490.200117.6
16T32.1Very low34.8Very low122 Ų122128.8 Ų128.875%0.74874%0.744SS**  cis-161.1158.74.7-0.30000110.4
17E36.4Very low34.3Very low187 Ų187129.6 Ų129.687%0.87475%0.753SS**  trans-69.1144.5170.8-172.1-176.4142.800112.9
18A34.9Very low33.8Very low99 Ų99129.2 Ų129.282%0.81875%0.746SS**  trans-164.8117.2152.400000113.4
19K35.1Very low33.4Very low172 Ų172129.7 Ų129.775%0.74875%0.748SS**  trans-84.7153154.4-169-173.8177-1740108.1
20P41.1Very low33.2Very low126 Ų126130.8 Ų130.882%0.81875%0.745SS**  -145.1-172.5115.230.1-9.4000114.2
21T29.6Very low32.8Very low103 Ų103133.8 Ų133.863%0.63274%0.743SS**  trans-125.7-176.6-146.5-40.50000110.5
22E33.4Very low32.2Very low175 Ų175136.2 Ų136.282%0.81875%0.745SS**  trans99.1116.9163-64.8175.299.200115.6
23A32Very low31.5Very low85 Ų85132.7 Ų132.770%0.70274%0.741SS**  66.411453.700000111.1
24E32.5Very low31Very low188 Ų188134.4 Ų134.488%0.87975%0.75SS**  163.9169.590.1-78.9-148.9138.600105.8
25A30.9Very low30.8Very low73 Ų73132.7 Ų132.760%0.60375%0.748SS**  cis-174.2157.9-17.800000106.5
26F26Very low30.8Very low195 Ų195133 Ų13386%0.85575%0.749SS**  trans53.9138.8142.3-94.2-100.3000123.7
27G27.3Very low31.1Very low82 Ų82132.2 Ų132.285%0.84575%0.746SS**  trans-179.585.7165.200000112.4
28E27.8Very low30.6Very low146 Ų146129 Ų12968%0.68274%0.739SS**  trans-79.6151.8-179.4178.3-179.4120.400113.6V30E28-V30 HydrophobicContact CG-CG2 3.74Å
29N28.6Very low30.3Very low154 Ų154128.5 Ų128.582%0.82473%0.73SS**  trans-176.6115.7144.4-130.119000107.8
30V27.6Very low30Very low77 Ų77127.8 Ų127.847%0.46773%0.733SS.*  cis86.7120.645.1-179.30000114.5E28E28-V30 HydrophobicContact CG-CG2 3.74Å
31E27.3Very low29.4Very low150 Ų150127.7 Ų127.770%0.70173%0.731SS**  trans73148.7154.2-86.7172.178.900120
32K28.8Very low29.3Very low163 Ų163130 Ų13071%0.70974%0.739SS**  cis-169157.819.2-145.9-163.8-172.979.10111
33A27.2Very low29.2Very low84 Ų84125.9 Ų125.969%0.69474%0.735SS**  trans63.3154.2134.600000120.5
34D26.2Very low29Very low154 Ų154125.5 Ų125.582%0.82474%0.739SS**  cis-179.7167.1-14.6-177.4-121.5000105.6
35A29Very low28.8Very low78 Ų78123.9 Ų123.965%0.64574%0.737SS**  trans84.6106.4153.900000120.5
36E33.2Very low28.7Very low181 Ų181124.8 Ų124.885%0.84674%0.744SS**  trans-58.2165.1137.1-72.1-177.979.500110.6
37P37.3Very low28.9Very low104 Ų104120.9 Ų120.968%0.67574%0.736SS**  -152.7152.898.238.8-20.7000116.2
38T27.2Very low29.1Very low121 Ų121122.4 Ų122.474%0.74273%0.729SS**  trans63.4152.3133.5570000120.3
39S28Very low29.3Very low88 Ų88124 Ų12462%0.61574%0.736SS**  cis172.7143.2-10.453.40000107.3
40L29.5Very low29.5Very low157 Ų157123.3 Ų123.382%0.82273%0.733SS**  trans61.6149.4143.5-59.2168.6000117.9
41T27.4Very low29.7Very low124 Ų124123.7 Ų123.776%0.76174%0.739SS**  cis-178.6175.716.714.90000109
42D28.3Very low30.3Very low150 Ų150122.7 Ų122.780%0.80275%0.749SS**  trans100.3108.3157.1-14058.2000115.4
43A31.6Very low30.9Very low89 Ų89122.7 Ų122.774%0.73676%0.755SS**  cis77.3121.243.700000115.1
44G27.1Very low31.7Very low77 Ų77124.1 Ų124.179%0.79476%0.76SS**  trans134.881170.700000113.1
45N28.7Very low32.4Very low155 Ų155124.1 Ų124.183%0.82976%0.76SS**  68.5113.481.7-16840.6000115.5
46A29.5Very low32.5Very low91 Ų91123.9 Ų123.975%0.75276%0.764SS**  trans17396.5131.700000113.1
47T29.4Very low32.8Very low114 Ų114122 Ų12270%0.69976%0.761SS**  21.5120.2126.1-53.40000120.2
48T30.6Very low32.8Very low113 Ų113125.3 Ų125.369%0.69377%0.773SS**  171.7125.6100.2380000112.6
49Q33.2Very low33.5Very low179 Ų179122.1 Ų122.184%0.83676%0.758SS**  trans44.7128.9130.5-58.1175.6-6.800118.1
50D31.6Very low34.3Very low140 Ų140123.9 Ų123.975%0.74976%0.761SS**  -171.414453.9-169.7-115.3000112.3
51S33.4Very low35.2Very low85 Ų85121.9 Ų121.959%0.59475%0.751SS**  trans42.3113.2148.6-52.40000122.8
52S40.1Very low36.7Very low129 Ų129124.2 Ų124.290%0.90275%0.751SS**  -161.1127.4119.4-760000110.4
53I41.2Very low38.5Very low163 Ų163121.7 Ų121.784%0.83673%0.734SS**  trans-81135.2-168.5-61163.3000111
54S42.9Very low40.9Very low115 Ų115122.8 Ų122.880%0.80472%0.724SS**  trans-162129.5134.7-169.50000110.7
55N41.2Very low43.8Very low154 Ų154121.7 Ų121.782%0.82470%0.702SS**  trans-62.4146.5-177.5-69.4-33.5000113.6
56G31.7Very low46.6Very low72 Ų72114.8 Ų114.874%0.74267%0.665SS**  110.999.5129.800000116.8
57D39.1Very low49.5Very low143 Ų143113.5 Ų113.577%0.76565%0.646SS**  trans69.680.8138.5-142.352.7000117.1A59D57-A59 VanDerWaalsContact C-N 3.29Å
58D37.7Very low52.5Low173 Ų173108.2 Ų108.293%0.92561%0.613SS**  trans-98.975.5144.2-85.5-67.6000106.5D60D58-D60 PolarHBondContact O-N 3.2Å
59A40.7Very low55.4Low54 Ų54106.3 Ų106.345%0.44660%0.595SS.*  trans-46.4124.8159.900000107.8D57 D61D57-A59 VanDerWaalsContact C-N 3.29Å; A59-D61 PolarHBondContact O-N 2.68Å
60D45.6Very low58.2Low124 Ų12497.8 Ų97.866%0.66356%0.556SS**  trans-55.376.7158.4-178.458.8000107.8D58 K62D58-D60 PolarHBondContact O-N 3.2Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 WeakPolarHBondContact OD2-CG 3.49Å; D60-K62 IonicContact OD2-NZ 3.57Å; D60-K62 PolarHBondContact OD2-NZ 2.69Å
61D49Very low61Low115 Ų11592.3 Ų92.362%0.61553%0.526SS*.  trans-75.588.7174.1-134.9-0.7000104.3A59 Q63A59-D61 PolarHBondContact O-N 2.68Å; D61-Q63 HydrophobicContact CB-CG 4.2Å; D61-Q63 PolarHBondContact O-N 2.69Å; D61-Q63 PolarHBondContact OD2-NE2 2.95Å
62K58.9Low63.6Low174 Ų17489.7 Ų89.776%0.75750%0.503SS*.  trans-61.662.6168.6-74.6-172.9177.867.40109.5D60 E64D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 WeakPolarHBondContact OD2-CG 3.49Å; D60-K62 IonicContact OD2-NZ 3.57Å; D60-K62 PolarHBondContact OD2-NZ 2.69Å; K62-E64 PolarHBondContact O-N 3.03Å
63Q65.9Low65.7Low97 Ų9788 Ų8845%0.45349%0.491SS..  trans-74.7110.4172.7-68.7-172.36.200106.9D61 T65 P82D61-Q63 HydrophobicContact CB-CG 4.2Å; D61-Q63 PolarHBondContact O-N 2.69Å; D61-Q63 PolarHBondContact OD2-NE2 2.95Å; Q63-T65 WeakPolarHBondContact O-CG2 3.46Å; Q63-T65 PolarHBondContact O-N 3.22Å; Q63-P82 HydrophobicContact CB-CB 4.38Å
64E81.1Confident67.6Low111 Ų11189.9 Ų89.952%0.51949%0.493SS..  trans-56.3112174.6-175.6-177.8-172.800108.5K62 V83 R120K62-E64 PolarHBondContact O-N 3.03Å; E64-V83 HydrophobicContact CB-CG2 3.82Å; E64-V83 HydrophobicContact CG-CG1 4.24Å; E64-V83 HydrophobicContact CG-CG2 4.06Å; E64-V83 WeakPolarHBondContact O-CG1 3.3Å; E64-V83 VanDerWaalsContact O-CG2 3.27Å; E64-V83 WeakPolarHBondContact O-CG2 2.9Å; E64-V83 PolarHBondContact O-N 2.85Å; E64-R120 IonicContact OE2-CZ 2.86Å; E64-R120 VanDerWaalsContact OE2-CZ 3.29Å; E64-R120 IonicContact OE2-NH1 3.46Å; E64-R120 PolarHBondContact OE2-NH1 3.2Å; E64-R120 IonicContact OE2-NH2 3.64Å; E64-R120 PolarHBondContact OE2-NH2 3.36Å
65T87.4Confident69.6Low55 Ų5588.4 Ų88.434%0.33748%0.477SS..EExtended strand (participates in β ladder)trans-99.814518057.90000111.4Q63 K80 I81Q63-T65 WeakPolarHBondContact O-CG2 3.46Å; Q63-T65 PolarHBondContact O-N 3.22Å; T65-K80 WeakPolarHBondContact OG1-CE 3.09Å; T65-I81 WeakPolarHBondContact CA-O 3.32Å
66V88.8Confident72Confident9 Ų987.9 Ų87.96%0.05547%0.467CS..EExtended strand (participates in β ladder)trans-111140.4169-81.10000111L68 K80 I81 V83 L119V66-L68 HydrophobicContact CB-CD2 4.19Å; V66-L68 HydrophobicContact CG2-CD1 4.44Å; V66-L68 HydrophobicContact CG2-CD2 3.99Å; V66-L68 HydrophobicContact CG2-CG 4.24Å; V66-K80 WeakPolarHBondContact O-CA 3.46Å; V66-I81 HydrophobicContact CG2-CG2 4.11Å; V66-I81 WeakPolarHBondContact CG2-O 3.41Å; V66-I81 PolarHBondContact N-O 2.95Å; V66-I81 PolarHBondContact O-N 3.09Å; V66-V83 HydrophobicContact CB-CG1 4Å; V66-V83 HydrophobicContact CG1-CG1 3.28Å; V66-V83 HydrophobicContact CG2-CG1 3.76Å; V66-L119 HydrophobicContact CG2-CD1 4.38Å
67D89.9Confident74.8Confident65 Ų6587.4 Ų87.435%0.34844%0.443SS..EExtended strand (participates in β ladder)trans-91.7128.8169.4-44-66.6000108.9K80 N126 G127D67-K80 VanDerWaalsContact OD1-CD 3.29Å; D67-K80 WeakPolarHBondContact OD1-CD 3.09Å; D67-K80 VanDerWaalsContact OD1-CG 3.3Å; D67-K80 WeakPolarHBondContact OD1-CG 3.35Å; D67-N126 WeakPolarHBondContact CA-OD1 3.29Å; D67-N126 WeakPolarHBondContact CB-OD1 3.47Å; D67-N126 PolarHBondContact N-OD1 2.76Å; D67-N126 PolarHBondContact O-OD1 3.2Å; D67-N126 VanDerWaalsContact O-OD1 3.11Å; D67-N126 PolarHBondContact OD2-ND2 2.93Å; D67-N126 VanDerWaalsContact OD2-ND2 3.09Å; D67-N126 PolarHBondContact OD2-OD1 3.47Å; D67-N126 VanDerWaalsContact OD2-OD1 3.13Å; D67-G127 WeakPolarHBondContact O-CA 3.27Å; D67-G127 PolarHBondContact O-N 2.86Å
68L91.6Very high77.2Confident3 Ų386.3 Ų86.32%0.01644%0.437CS..EExtended strand (participates in β ladder)trans-124.6146.4-172.9-53.3176.4000109.4V66 I70 D78 L79 I81 L90 L119 V124 A128 I130V66-L68 HydrophobicContact CB-CD2 4.19Å; V66-L68 HydrophobicContact CG2-CD1 4.44Å; V66-L68 HydrophobicContact CG2-CD2 3.99Å; V66-L68 HydrophobicContact CG2-CG 4.24Å; L68-I70 HydrophobicContact CB-CD1 4.34Å; L68-D78 WeakPolarHBondContact O-CA 3.39Å; L68-L79 WeakPolarHBondContact CB-O 3.48Å; L68-L79 PolarHBondContact N-O 3.13Å; L68-L79 PolarHBondContact O-N 3.27Å; L68-I81 HydrophobicContact CD1-CG2 3.41Å; L68-I81 VanDerWaalsContact CD1-CG2 3.41Å; L68-I81 HydrophobicContact CG-CG2 4.23Å; L68-L90 HydrophobicContact CD1-CD1 3.93Å; L68-L119 HydrophobicContact CD1-CD1 4.27Å; L68-V124 HydrophobicContact CD1-CG1 4.5Å; L68-V124 HydrophobicContact CD2-CG1 3.25Å; L68-A128 HydrophobicContact CD2-CB 3.89Å; L68-I130 HydrophobicContact CB-CD1 4.42Å; L68-I130 HydrophobicContact CD1-CD1 3.8Å; L68-I130 HydrophobicContact CD2-CD1 4.42Å; L68-I130 HydrophobicContact CG-CD1 4.45Å
69K92.1Very high79.7Confident73 Ų7378.8 Ų78.832%0.31740%0.397SS..EExtended strand (participates in β ladder)trans-108.4101.3174.7-159.6171.2-146.777.70109.8K76 Y77 D78 A128 K129 I130K69-K76 HydrophobicContact CD-CD 4.48Å; K69-Y77 CarbonylContact C-O 3.53Å; K69-Y77 WeakPolarHBondContact CA-O 3.4Å; K69-D78 IonicContact NZ-OD1 3.57Å; K69-D78 PolarHBondContact NZ-OD1 3.42Å; K69-D78 IonicContact NZ-OD2 2.64Å; K69-A128 PolarHBondContact N-O 2.73Å; K69-K129 CarbonylContact O-C 3.54Å; K69-K129 WeakPolarHBondContact O-CA 3.45Å; K69-I130 PolarHBondContact O-N 2.97Å
70I93.1Very high82.1Confident0 Ų082.1 Ų82.10%040%0.402CS..EExtended strand (participates in β ladder)trans-80131.6177.5-50-52.5000109.2L68 K76 Y77 L79 L90 I94 I130 V132L68-I70 HydrophobicContact CB-CD1 4.34Å; I70-K76 CarbonylContact O-C 3.58Å; I70-K76 WeakPolarHBondContact O-CA 3.49Å; I70-Y77 PolarHBondContact N-O 3Å; I70-Y77 PolarHBondContact O-N 2.98Å; I70-L79 HydrophobicContact CD1-CB 4.45Å; I70-L79 HydrophobicContact CD1-CD2 4.1Å; I70-L79 HydrophobicContact CG1-CB 3.91Å; I70-L79 HydrophobicContact CG1-CD2 4.1Å; I70-L90 HydrophobicContact CD1-CD1 4.41Å; I70-I94 HydrophobicContact CD1-CD1 4.3Å; I70-I94 HydrophobicContact CD1-CG1 4.18Å; I70-I94 HydrophobicContact CG1-CG1 4.3Å; I70-I94 HydrophobicContact CG2-CG1 4.16Å; I70-I130 CarbonylContact C-O 3.58Å; I70-I130 WeakPolarHBondContact CA-O 3.45Å; I70-I130 HydrophobicContact CD1-CB 3.8Å; I70-I130 HydrophobicContact CD1-CD1 4.2Å; I70-I130 HydrophobicContact CD1-CG1 4.33Å; I70-I130 HydrophobicContact CD1-CG2 4.19Å; I70-V132 HydrophobicContact CG2-CG2 3.6Å
71I89Confident84.2Confident25 Ų2576.3 Ų76.313%0.12837%0.37CS..EExtended strand (participates in β ladder)trans-124.9117.3179.9-60.2-177.3000109.6N75 K76 K129 I130 M131 V132I71-N75 WeakPolarHBondContact CA-O 3.46Å; I71-K76 HydrophobicContact CD1-CG 4.44Å; I71-K76 HydrophobicContact CG1-CG 4.21Å; I71-K129 HydrophobicContact CD1-CD 3.71Å; I71-K129 HydrophobicContact CD1-CG 3.43Å; I71-K129 VanDerWaalsContact CD1-CG 3.43Å; I71-K129 HydrophobicContact CG1-CG 4.26Å; I71-I130 PolarHBondContact N-O 3.06Å; I71-M131 HydrophobicContact CB-CG 4.39Å; I71-V132 PolarHBondContact O-N 3.16Å
72W89.5Confident86.1Confident29 Ų2972.2 Ų72.211%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-142.5129.1-177.1176.259.4000109.5K74 N75 Y77 T98 V132 G134 T136W72-K74 VanDerWaalsContact C-N 3.26Å; W72-K74 PolarHBondContact O-N 3.03Å; W72-K74 VanDerWaalsContact O-N 3.16Å; W72-N75 PolarHBondContact N-O 2.9Å; W72-N75 WeakPolarHBondContact O-CA 3.4Å; W72-N75 WeakPolarHBondContact O-CB 3.48Å; W72-N75 PolarHBondContact O-N 2.75Å; W72-Y77 HydrophobicContact CB-CE2 4.4Å; W72-Y77 HydrophobicContact CE3-CE2 4.22Å; W72-T98 HydrophobicContact CB-CG2 4.26Å; W72-T98 HydrophobicContact CD2-CG2 3.92Å; W72-T98 VanDerWaalsContact CE3-CB 3.43Å; W72-T98 HydrophobicContact CE3-CG2 3.46Å; W72-T98 VanDerWaalsContact CE3-CG2 3.46Å; W72-T98 HydrophobicContact CG-CG2 4.27Å; W72-T98 VanDerWaalsContact CH2-O 3.29Å; W72-T98 WeakPolarHBondContact CH2-O 3.28Å; W72-T98 HydrophobicContact CZ3-CG2 4.1Å; W72-T98 WeakPolarHBondContact CZ3-O 3.48Å; W72-V132 HydrophobicContact CB-CB 4.22Å; W72-G134 PolarHBondContact NE1-O 2.77Å; W72-T136 HydrophobicContact CH2-CG2 3.55Å; W72-T136 HydrophobicContact CZ2-CG2 3.62Å
73S83.5Confident87.5Confident94 Ų9464.2 Ų64.266%0.65732%0.316SS*.THydrogen-bonded Turntrans46.344.7-178.3-149.90000114.4N75S73-N75 PolarHBondContact O-N 2.86Å; S73-N75 VanDerWaalsContact O-N 3.11Å
74K81.6Confident88.4Confident202 Ų20263.6 Ų63.688%0.87832%0.316SS*.THydrogen-bonded Turntrans68-6.9-175.3-53.9174-179.4172.60115.9W72W72-K74 VanDerWaalsContact C-N 3.26Å; W72-K74 PolarHBondContact O-N 3.03Å; W72-K74 VanDerWaalsContact O-N 3.16Å
75N84.4Confident88.7Confident85 Ų8559.1 Ų59.146%0.45530%0.297SS..EExtended strand (participates in β ladder)trans-80.1149.2172.3-61.8-36.3000110.8I71 W72 S73 Y77I71-N75 WeakPolarHBondContact CA-O 3.46Å; W72-N75 PolarHBondContact N-O 2.9Å; W72-N75 WeakPolarHBondContact O-CA 3.4Å; W72-N75 WeakPolarHBondContact O-CB 3.48Å; W72-N75 PolarHBondContact O-N 2.75Å; S73-N75 PolarHBondContact O-N 2.86Å; S73-N75 VanDerWaalsContact O-N 3.11Å; N75-Y77 HydrophobicContact CB-CE2 3.65Å
76K91.4Very high88.8Confident143 Ų14359.1 Ų59.162%0.62230%0.296SS*.EExtended strand (participates in β ladder)trans-119.3130.3179.2-58.2179.5-174.9170.10108.7K69 I70 I71K69-K76 HydrophobicContact CD-CD 4.48Å; I70-K76 CarbonylContact O-C 3.58Å; I70-K76 WeakPolarHBondContact O-CA 3.49Å; I71-K76 HydrophobicContact CD1-CG 4.44Å; I71-K76 HydrophobicContact CG1-CG 4.21Å
77Y90.8Very high88.7Confident61 Ų6158.7 Ų58.724%0.23929%0.294CS..EExtended strand (participates in β ladder)trans-125.6134.7177.4-50.5-91.4000108.7K69 I70 W72 N75 T98K69-Y77 CarbonylContact C-O 3.53Å; K69-Y77 WeakPolarHBondContact CA-O 3.4Å; I70-Y77 PolarHBondContact N-O 3Å; I70-Y77 PolarHBondContact O-N 2.98Å; W72-Y77 HydrophobicContact CB-CE2 4.4Å; W72-Y77 HydrophobicContact CE3-CE2 4.22Å; N75-Y77 HydrophobicContact CB-CE2 3.65Å; Y77-T98 HydrophobicContact CD2-CG2 4.41Å; Y77-T98 HydrophobicContact CE2-CG2 4.12Å
78D89.8Confident88.6Confident120 Ų12057.2 Ų57.264%0.64229%0.291SS*.EExtended strand (participates in β ladder)trans-93127.5174.2-62.9-40.9000108.3L68 K69L68-D78 WeakPolarHBondContact O-CA 3.39Å; K69-D78 IonicContact NZ-OD1 3.57Å; K69-D78 PolarHBondContact NZ-OD1 3.42Å; K69-D78 IonicContact NZ-OD2 2.64Å
79L89.4Confident88.4Confident15 Ų1562.4 Ų62.48%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-130.2125.8-175.3175.869.5000109.6L68 I70 L90 R93 L97L68-L79 WeakPolarHBondContact CB-O 3.48Å; L68-L79 PolarHBondContact N-O 3.13Å; L68-L79 PolarHBondContact O-N 3.27Å; I70-L79 HydrophobicContact CD1-CB 4.45Å; I70-L79 HydrophobicContact CD1-CD2 4.1Å; I70-L79 HydrophobicContact CG1-CB 3.91Å; I70-L79 HydrophobicContact CG1-CD2 4.1Å; L79-L90 HydrophobicContact CD2-CD1 3.54Å; L79-R93 HydrophobicContact CD1-CB 3.89Å; L79-R93 HydrophobicContact CD1-CG 4.37Å; L79-R93 HydrophobicContact CD2-CB 3.84Å; L79-L97 HydrophobicContact CB-CD1 4.16Å; L79-L97 HydrophobicContact CD1-CD1 3.87Å; L79-L97 HydrophobicContact CG-CD1 4.44Å
80K90.9Very high88.3Confident125 Ų12559 Ų5954%0.54330%0.298SS..EExtended strand (participates in β ladder)trans-103.1125.4173.1-171.7170.8-172.9172.30110.2T65 V66 D67T65-K80 WeakPolarHBondContact OG1-CE 3.09Å; V66-K80 WeakPolarHBondContact O-CA 3.46Å; D67-K80 VanDerWaalsContact OD1-CD 3.29Å; D67-K80 WeakPolarHBondContact OD1-CD 3.09Å; D67-K80 VanDerWaalsContact OD1-CG 3.3Å; D67-K80 WeakPolarHBondContact OD1-CG 3.35Å
81I89.4Confident88.2Confident1 Ų160 Ų601%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-144144.9-176.8-168.4171.4000110.8T65 V66 L68 S85 L90 R93 L119T65-I81 WeakPolarHBondContact CA-O 3.32Å; V66-I81 HydrophobicContact CG2-CG2 4.11Å; V66-I81 WeakPolarHBondContact CG2-O 3.41Å; V66-I81 PolarHBondContact N-O 2.95Å; V66-I81 PolarHBondContact O-N 3.09Å; L68-I81 HydrophobicContact CD1-CG2 3.41Å; L68-I81 VanDerWaalsContact CD1-CG2 3.41Å; L68-I81 HydrophobicContact CG-CG2 4.23Å; I81-S85 WeakPolarHBondContact CG1-OG 3.26Å; I81-L90 HydrophobicContact CD1-CB 4.19Å; I81-L90 HydrophobicContact CD1-CD1 4.31Å; I81-R93 HydrophobicContact CD1-CG 4.11Å; I81-L119 HydrophobicContact CD1-CD1 4.28Å; I81-L119 HydrophobicContact CG1-CD1 4.43Å; I81-L119 HydrophobicContact CG2-CD1 3.41Å; I81-L119 VanDerWaalsContact CG2-CD1 3.41Å
82P90.4Very high88.3Confident29 Ų2964.1 Ų64.119%0.18832%0.322CS..EExtended strand (participates in β ladder)trans-58.7138173.2-24.534.4000112Q63 D84 S85Q63-P82 HydrophobicContact CB-CB 4.38Å; P82-D84 PolarHBondContact O-N 3.04Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 3.32Å; P82-S85 PolarHBondContact O-OG 3.1Å
83V87.3Confident88.3Confident7 Ų769 Ų694%0.04234%0.34CS..THydrogen-bonded Turntrans-64.1-26.2-179.1-64.40000113.6E64 V66 S85 L119 R120E64-V83 HydrophobicContact CB-CG2 3.82Å; E64-V83 HydrophobicContact CG-CG1 4.24Å; E64-V83 HydrophobicContact CG-CG2 4.06Å; E64-V83 WeakPolarHBondContact O-CG1 3.3Å; E64-V83 VanDerWaalsContact O-CG2 3.27Å; E64-V83 WeakPolarHBondContact O-CG2 2.9Å; E64-V83 PolarHBondContact O-N 2.85Å; V66-V83 HydrophobicContact CB-CG1 4Å; V66-V83 HydrophobicContact CG1-CG1 3.28Å; V66-V83 HydrophobicContact CG2-CG1 3.76Å; V83-S85 PolarHBondContact O-N 2.69Å; V83-L119 WeakPolarHBondContact O-CB 3.35Å; V83-L119 PolarHBondContact O-N 3.29Å; V83-R120 PolarHBondContact O-N 2.85Å
84D84.9Confident88.6Confident84 Ų8464.6 Ų64.645%0.44931%0.309SS..THydrogen-bonded Turntrans-83.91.5178-52.1-50000111.7P82 R120P82-D84 PolarHBondContact O-N 3.04Å; D84-R120 IonicContact OD1-CZ 2.7Å; D84-R120 IonicContact OD1-NE 3.2Å; D84-R120 PolarHBondContact OD1-NE 2.64Å; D84-R120 IonicContact OD1-NH2 2.76Å; D84-R120 PolarHBondContact OD1-NH2 3.24Å; D84-R120 IonicContact OD2-NH2 2.69Å
85S86.8Confident88.9Confident17 Ų1758.6 Ų58.612%0.11928%0.284CS..  trans-66.6144.6171-61.10000111I81 P82 V83 T118 L119I81-S85 WeakPolarHBondContact CG1-OG 3.26Å; P82-S85 WeakPolarHBondContact O-CB 3.47Å; P82-S85 PolarHBondContact O-N 3.32Å; P82-S85 PolarHBondContact O-OG 3.1Å; V83-S85 PolarHBondContact O-N 2.69Å; S85-T118 WeakPolarHBondContact O-CA 3.33Å; S85-L119 WeakPolarHBondContact O-CG 3.4Å; S85-L119 PolarHBondContact O-N 3.12Å
86T90.6Very high89Confident54 Ų5458.8 Ų58.833%0.33130%0.297SS..BIsolated β-bridgetrans-79.7162.4175.259.80000111.9A88 K89 L90T86-A88 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 3.37Å; T86-K89 VanDerWaalsContact O-N 3.12Å; T86-K89 PolarHBondContact OG1-N 3.28Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.11Å
87G86.4Confident88.8Confident0 Ų055.4 Ų55.40%029%0.286CS..Hα-helixtrans-58.1-31.2172.800000113.4L90 K91 E115 K117G87-L90 PolarHBondContact O-N 2.79Å; G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.19Å; G87-E115 PolarHBondContact N-O 3.16Å; G87-K117 PolarHBondContact N-O 3.21Å
88A87.1Confident88.4Confident35 Ų3553.1 Ų53.129%0.28928%0.278SS..Hα-helixtrans-60.9-48.6172.500000112.3T86 L90 K91 E92 E115T86-A88 PolarHBondContact O-N 3.21Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.42Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 2.82Å; A88-K91 VanDerWaalsContact O-N 3.09Å; A88-E92 PolarHBondContact O-N 3.48Å; A88-E115 HydrophobicContact CB-CB 4.29Å; A88-E115 PolarHBondContact N-O 3.49Å
89K88.4Confident88.1Confident112 Ų11249.5 Ų49.549%0.48727%0.269SS..Hα-helixtrans-61.5-37.5177.6-15392.5173-174.10111.7T86 E92 R93T86-K89 WeakPolarHBondContact O-CB 3.26Å; T86-K89 PolarHBondContact O-N 3.37Å; T86-K89 VanDerWaalsContact O-N 3.12Å; T86-K89 PolarHBondContact OG1-N 3.28Å; K89-E92 PolarHBondContact O-N 3.48Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.82Å
90L89.8Confident87.8Confident0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-62.8-44.2174176.164.4000111.3L68 I70 L79 I81 T86 G87 A88 E92 R93 I94 V107 L113 L119 I130L68-L90 HydrophobicContact CD1-CD1 3.93Å; I70-L90 HydrophobicContact CD1-CD1 4.41Å; L79-L90 HydrophobicContact CD2-CD1 3.54Å; I81-L90 HydrophobicContact CD1-CB 4.19Å; I81-L90 HydrophobicContact CD1-CD1 4.31Å; T86-L90 PolarHBondContact O-N 3.01Å; T86-L90 VanDerWaalsContact O-N 3.11Å; G87-L90 PolarHBondContact O-N 2.79Å; A88-L90 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 3.42Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 3.38Å; L90-R93 PolarHBondContact O-N 3.16Å; L90-I94 HydrophobicContact CD1-CD1 4.13Å; L90-I94 HydrophobicContact CD1-CG1 4.38Å; L90-I94 HydrophobicContact CD2-CD1 4.46Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.29Å; L90-V107 HydrophobicContact CD2-CG1 4.41Å; L90-L113 HydrophobicContact CD2-CD1 3.84Å; L90-L113 HydrophobicContact CD2-CD2 4.14Å; L90-L119 HydrophobicContact CB-CD2 4.34Å; L90-L119 HydrophobicContact CD2-CD2 3.72Å; L90-I130 HydrophobicContact CD1-CD1 4.44Å; L90-I130 HydrophobicContact CD2-CD1 3.62Å
91K90.3Very high87.5Confident22 Ų2244.3 Ų44.310%0.09625%0.249CC..Hα-helixtrans-62.4-39.3175.5-73.6-172.8177.7-1660112.6G87 A88 I94 H95 P102 Q105 V107 E115G87-K91 WeakPolarHBondContact O-CG 3.47Å; G87-K91 PolarHBondContact O-N 3.19Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 2.82Å; A88-K91 VanDerWaalsContact O-N 3.09Å; K91-I94 PolarHBondContact O-N 2.65Å; K91-H95 WeakPolarHBondContact O-CB 3.42Å; K91-H95 PolarHBondContact O-N 3.02Å; K91-P102 HydrophobicContact CB-CB 4.09Å; K91-P102 HydrophobicContact CD-CB 4.46Å; K91-Q105 HydrophobicContact CD-CB 4.49Å; K91-Q105 PolarHBondContact NZ-O 3.02Å; K91-Q105 PolarHBondContact O-NE2 2.85Å; K91-Q105 PolarHBondContact O-OE1 3.24Å; K91-V107 HydrophobicContact CD-CG2 4.47Å; K91-V107 HydrophobicContact CG-CG2 3.82Å; K91-E115 HydrophobicContact CD-CG 4.16Å; K91-E115 VanDerWaalsContact CD-OE1 3.29Å; K91-E115 WeakPolarHBondContact CD-OE1 3.26Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.29Å; K91-E115 IonicContact NZ-OE1 2.81Å; K91-E115 PolarHBondContact NZ-OE1 3.09Å
92E90.4Very high87.3Confident112 Ų11246.2 Ų46.252%0.52326%0.261SS..Hα-helixtrans-61.4-43.8173.6-69.8176.8170.200111.9A88 K89 L90 I94 H95 A96A88-E92 PolarHBondContact O-N 3.48Å; K89-E92 PolarHBondContact O-N 3.48Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 3.38Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.99Å; E92-H95 WeakPolarHBondContact O-CB 3.05Å; E92-H95 PolarHBondContact O-N 3.35Å; E92-A96 PolarHBondContact O-N 3.26Å
93R89.7Confident87Confident132 Ų13249.7 Ų49.750%0.49829%0.293SS..Hα-helixtrans-63.5-39.8175.1-71.2-62.9-161.51594.3112.3L79 I81 K89 L90 H95 A96 L97L79-R93 HydrophobicContact CD1-CB 3.89Å; L79-R93 HydrophobicContact CD1-CG 4.37Å; L79-R93 HydrophobicContact CD2-CB 3.84Å; I81-R93 HydrophobicContact CD1-CG 4.11Å; K89-R93 WeakPolarHBondContact O-CG 3.49Å; K89-R93 PolarHBondContact O-N 2.82Å; L90-R93 PolarHBondContact O-N 3.16Å; R93-H95 VanDerWaalsContact C-N 3.33Å; R93-A96 PolarHBondContact O-N 3.39Å; R93-L97 WeakPolarHBondContact O-CG 3.43Å; R93-L97 PolarHBondContact O-N 3.36Å
94I89.8Confident86.7Confident0 Ų053.8 Ų53.80%031%0.312CS..Hα-helixtrans-64.1-39.4173.8-68.7162.9000110.6I70 L90 K91 E92 A96 L97 T98 Q105 V107 V132I70-I94 HydrophobicContact CD1-CD1 4.3Å; I70-I94 HydrophobicContact CD1-CG1 4.18Å; I70-I94 HydrophobicContact CG1-CG1 4.3Å; I70-I94 HydrophobicContact CG2-CG1 4.16Å; L90-I94 HydrophobicContact CD1-CD1 4.13Å; L90-I94 HydrophobicContact CD1-CG1 4.38Å; L90-I94 HydrophobicContact CD2-CD1 4.46Å; L90-I94 HydrophobicContact CG-CD1 3.84Å; L90-I94 VanDerWaalsContact O-CG1 3.26Å; L90-I94 WeakPolarHBondContact O-CG1 3.47Å; L90-I94 PolarHBondContact O-N 3.29Å; K91-I94 PolarHBondContact O-N 2.65Å; E92-I94 VanDerWaalsContact C-N 3.34Å; E92-I94 PolarHBondContact O-N 2.99Å; I94-A96 PolarHBondContact O-N 3.45Å; I94-L97 PolarHBondContact O-N 2.82Å; I94-T98 HydrophobicContact CG2-CG2 4.17Å; I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.89Å; I94-T98 PolarHBondContact O-OG1 3.09Å; I94-Q105 HydrophobicContact CG2-CG 4.43Å; I94-V107 HydrophobicContact CD1-CG1 4.17Å; I94-V107 HydrophobicContact CD1-CG2 3.83Å; I94-V132 HydrophobicContact CD1-CG2 3.82Å; I94-V132 HydrophobicContact CG1-CG2 4.43Å; I94-V132 HydrophobicContact CG2-CG1 4.03Å; I94-V132 HydrophobicContact CG2-CG2 4Å
95H88.4Confident86.7Confident77 Ų7750.1 Ų50.136%0.35629%0.292SS..Hα-helixtrans-60.2-46.2176-179.4-158.4000110.8K91 E92 R93 L97 T98 G99 L100 P102K91-H95 WeakPolarHBondContact O-CB 3.42Å; K91-H95 PolarHBondContact O-N 3.02Å; E92-H95 WeakPolarHBondContact O-CB 3.05Å; E92-H95 PolarHBondContact O-N 3.35Å; R93-H95 VanDerWaalsContact C-N 3.33Å; H95-L97 PolarHBondContact O-N 2.76Å; H95-T98 PolarHBondContact O-N 3.38Å; H95-G99 VanDerWaalsContact O-CA 3.28Å; H95-G99 WeakPolarHBondContact O-CA 3.46Å; H95-G99 PolarHBondContact O-N 3.11Å; H95-L100 WeakPolarHBondContact CA-O 3.45Å; H95-L100 VanDerWaalsContact CB-O 3.26Å; H95-L100 WeakPolarHBondContact CB-O 3.38Å; H95-L100 PolarHBondContact CD2-O 3.12Å; H95-L100 VanDerWaalsContact CG-O 3.29Å; H95-P102 HydrophobicContact CB-CG 4.34Å
96A87.4Confident86.8Confident88 Ų8854.7 Ų54.773%0.72731%0.31SS*.Hα-helixtrans-60.3-33.5177.400000113.1E92 R93 I94E92-A96 PolarHBondContact O-N 3.26Å; R93-A96 PolarHBondContact O-N 3.39Å; I94-A96 PolarHBondContact O-N 3.45Å
97L85.9Confident86.6Confident73 Ų7352.2 Ų52.238%0.38230%0.295SS..Hα-helixtrans-84.1-35.9179.7-69.2175.4000114L79 R93 I94 H95L79-L97 HydrophobicContact CB-CD1 4.16Å; L79-L97 HydrophobicContact CD1-CD1 3.87Å; L79-L97 HydrophobicContact CG-CD1 4.44Å; R93-L97 WeakPolarHBondContact O-CG 3.43Å; R93-L97 PolarHBondContact O-N 3.36Å; I94-L97 PolarHBondContact O-N 2.82Å; H95-L97 PolarHBondContact O-N 2.76Å
98T83.5Confident86.7Confident13 Ų1355.5 Ų55.58%0.0831%0.311CS..Hα-helixtrans-109.5-14.1-169.261.60000113.7W72 Y77 I94 H95 L100W72-T98 HydrophobicContact CB-CG2 4.26Å; W72-T98 HydrophobicContact CD2-CG2 3.92Å; W72-T98 VanDerWaalsContact CE3-CB 3.43Å; W72-T98 HydrophobicContact CE3-CG2 3.46Å; W72-T98 VanDerWaalsContact CE3-CG2 3.46Å; W72-T98 HydrophobicContact CG-CG2 4.27Å; W72-T98 VanDerWaalsContact CH2-O 3.29Å; W72-T98 WeakPolarHBondContact CH2-O 3.28Å; W72-T98 HydrophobicContact CZ3-CG2 4.1Å; W72-T98 WeakPolarHBondContact CZ3-O 3.48Å; Y77-T98 HydrophobicContact CD2-CG2 4.41Å; Y77-T98 HydrophobicContact CE2-CG2 4.12Å; I94-T98 HydrophobicContact CG2-CG2 4.17Å; I94-T98 WeakPolarHBondContact O-CB 3.46Å; I94-T98 PolarHBondContact O-N 2.89Å; I94-T98 PolarHBondContact O-OG1 3.09Å; H95-T98 PolarHBondContact O-N 3.38Å; T98-L100 PolarHBondContact O-N 3.39Å; T98-L100 WeakPolarHBondContact OG1-CB 3.28Å; T98-L100 PolarHBondContact OG1-N 3Å
99G82.6Confident86.6Confident44 Ų4455 Ų5545%0.45430%0.302SS..  trans69.18.9-17100000113.8H95 P101H95-G99 VanDerWaalsContact O-CA 3.28Å; H95-G99 WeakPolarHBondContact O-CA 3.46Å; H95-G99 PolarHBondContact O-N 3.11Å; G99-P101 WeakPolarHBondContact O-CD 3.29Å
100L83.8Confident86.3Confident0 Ų057.7 Ų57.70%031%0.314CS..  trans-86.2120179.6-172.760.7000110.3H95 T98 M104 Q105 V132 S135H95-L100 WeakPolarHBondContact CA-O 3.45Å; H95-L100 VanDerWaalsContact CB-O 3.26Å; H95-L100 WeakPolarHBondContact CB-O 3.38Å; H95-L100 PolarHBondContact CD2-O 3.12Å; H95-L100 VanDerWaalsContact CG-O 3.29Å; T98-L100 PolarHBondContact O-N 3.39Å; T98-L100 WeakPolarHBondContact OG1-CB 3.28Å; T98-L100 PolarHBondContact OG1-N 3Å; L100-M104 HydrophobicContact CD1-CB 3.97Å; L100-Q105 HydrophobicContact CB-CG 4.04Å; L100-Q105 HydrophobicContact CD2-CB 4.29Å; L100-Q105 HydrophobicContact CD2-CG 3.59Å; L100-Q105 HydrophobicContact CG-CG 3.56Å; L100-Q105 PolarHBondContact O-NE2 3.21Å; L100-V132 HydrophobicContact CD2-CG1 3.91Å; L100-S135 WeakPolarHBondContact CD1-O 3.47Å
101P85.1Confident86Confident30 Ų3059.8 Ų59.820%0.19534%0.336CS..  trans-62.8142.1179.4-24.535000112.3G99 A103 M104 Q105 I137G99-P101 WeakPolarHBondContact O-CD 3.29Å; P101-A103 PolarHBondContact O-N 2.7Å; P101-M104 WeakPolarHBondContact O-CA 3.33Å; P101-M104 PolarHBondContact O-N 2.84Å; P101-Q105 WeakPolarHBondContact O-CG 3.34Å; P101-Q105 PolarHBondContact O-N 2.74Å; P101-I137 HydrophobicContact CG-CD1 4.26Å
102P85.1Confident85.6Confident41 Ų4164.5 Ų64.527%0.26636%0.361SS..G310 helixtrans-51.4-35.8-177-30.936.8000115.2K91 H95 M104 Q105K91-P102 HydrophobicContact CB-CB 4.09Å; K91-P102 HydrophobicContact CD-CB 4.46Å; H95-P102 HydrophobicContact CB-CG 4.34Å; P102-M104 VanDerWaalsContact C-N 3.27Å; P102-M104 PolarHBondContact O-N 3.11Å; P102-Q105 PolarHBondContact O-N 2.97Å
103A82.8Confident85.4Confident103 Ų10359.6 Ų59.685%0.85134%0.338SS*.G310 helixtrans-64.9-27.817700000113.6P101P101-A103 PolarHBondContact O-N 2.7Å
104M81.6Confident85.2Confident93 Ų9355.8 Ų55.846%0.45833%0.332SS..G310 helixtrans-98.52.3178.4-62.9-177179.400112.5L100 P101 P102 G134 I137L100-M104 HydrophobicContact CD1-CB 3.97Å; P101-M104 WeakPolarHBondContact O-CA 3.33Å; P101-M104 PolarHBondContact O-N 2.84Å; P102-M104 VanDerWaalsContact C-N 3.27Å; P102-M104 PolarHBondContact O-N 3.11Å; M104-G134 WeakPolarHBondContact O-CA 3.34Å; M104-I137 HydrophobicContact CE-CG1 4.44Å; M104-I137 HydrophobicContact SD-CG1 4.33Å
105Q85.2Confident84.9Confident6 Ų659.8 Ų59.83%0.02835%0.351CS..  trans-90.9111.6176.9-66.817731.200111.7K91 I94 L100 P101 P102 V107 V132K91-Q105 HydrophobicContact CD-CB 4.49Å; K91-Q105 PolarHBondContact NZ-O 3.02Å; K91-Q105 PolarHBondContact O-NE2 2.85Å; K91-Q105 PolarHBondContact O-OE1 3.24Å; I94-Q105 HydrophobicContact CG2-CG 4.43Å; L100-Q105 HydrophobicContact CB-CG 4.04Å; L100-Q105 HydrophobicContact CD2-CB 4.29Å; L100-Q105 HydrophobicContact CD2-CG 3.59Å; L100-Q105 HydrophobicContact CG-CG 3.56Å; L100-Q105 PolarHBondContact O-NE2 3.21Å; P101-Q105 WeakPolarHBondContact O-CG 3.34Å; P101-Q105 PolarHBondContact O-N 2.74Å; P102-Q105 PolarHBondContact O-N 2.97Å; Q105-V107 HydrophobicContact CB-CG2 4.08Å; Q105-V107 PolarHBondContact O-N 3.22Å; Q105-V132 HydrophobicContact CB-CG1 4.43Å; Q105-V132 HydrophobicContact CG-CG1 4.42Å
106K88.1Confident84.6Confident114 Ų11463.4 Ų63.450%0.49637%0.373SS..EExtended strand (participates in β ladder)trans-92.791.5163.7-172.8174.7-175.6169.70109.3M108 L112 V133K106-M108 HydrophobicContact CG-CG 4.46Å; K106-L112 HydrophobicContact CD-CD1 4.44Å; K106-L112 HydrophobicContact CG-CD1 3.73Å; K106-V133 WeakPolarHBondContact CA-O 3.49Å; K106-V133 HydrophobicContact CB-CB 4.15Å; K106-V133 WeakPolarHBondContact CB-O 3.03Å; K106-V133 PolarHBondContact N-O 2.86Å; K106-V133 PolarHBondContact O-N 2.87Å
107V87.9Confident84.5Confident1 Ų164.5 Ų64.51%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-85.5127.8178.7-173.90000109.9L90 K91 I94 Q105 L113 I130 V132L90-V107 HydrophobicContact CD2-CG1 4.41Å; K91-V107 HydrophobicContact CD-CG2 4.47Å; K91-V107 HydrophobicContact CG-CG2 3.82Å; I94-V107 HydrophobicContact CD1-CG1 4.17Å; I94-V107 HydrophobicContact CD1-CG2 3.83Å; Q105-V107 HydrophobicContact CB-CG2 4.08Å; Q105-V107 PolarHBondContact O-N 3.22Å; V107-L113 HydrophobicContact CB-CB 4Å; V107-L113 HydrophobicContact CB-CD2 4.25Å; V107-L113 HydrophobicContact CG1-CB 3.99Å; V107-L113 HydrophobicContact CG1-CD1 4.25Å; V107-L113 HydrophobicContact CG1-CD2 4.12Å; V107-L113 HydrophobicContact CG1-CG 4.36Å; V107-L113 WeakPolarHBondContact O-CB 3.49Å; V107-L113 PolarHBondContact O-N 3.37Å; V107-I130 HydrophobicContact CG1-CG2 3.34Å; V107-V132 HydrophobicContact CG2-CG1 4.47Å; V107-V132 HydrophobicContact CG2-CG2 4.29Å
108M87.6Confident84.7Confident69 Ų6962.5 Ų62.534%0.3435%0.352SS..EExtended strand (participates in β ladder)trans-123.8122.1-177.3-61.1-164.2-61.800111.3K106 G111 M131 V133K106-M108 HydrophobicContact CG-CG 4.46Å; M108-G111 CarbonylContact C-O 3.59Å; M108-G111 VanDerWaalsContact CA-O 3.24Å; M108-G111 WeakPolarHBondContact CA-O 3.44Å; M108-M131 HydrophobicContact CB-CB 4.39Å; M108-M131 HydrophobicContact CE-CB 4.39Å; M108-M131 PolarHBondContact N-O 3.11Å; M108-M131 PolarHBondContact O-N 2.85Å; M108-V133 HydrophobicContact CE-CG2 3.87Å
109Y85.8Confident84.8Confident24 Ų2461.9 Ų61.99%0.09435%0.348CS..SBendtrans-149.8114.1169.5177.5-98.8000108.8G111 I122 K123 V124 A128 I130Y109-G111 CarbonylContact C-O 3.56Å; Y109-G111 PolarHBondContact N-O 3.44Å; Y109-G111 PolarHBondContact O-N 3.11Å; Y109-I122 HydrophobicContact CD1-CG2 3.87Å; Y109-I122 HydrophobicContact CE1-CG2 4.4Å; Y109-K123 PolarHBondContact OH-O 3.41Å; Y109-V124 HydrophobicContact CD1-CG2 3.74Å; Y109-V124 HydrophobicContact CE1-CB 4.22Å; Y109-V124 HydrophobicContact CE1-CG2 3.66Å; Y109-A128 HydrophobicContact CD2-CB 4.31Å; Y109-A128 HydrophobicContact CE2-CB 3.53Å; Y109-I130 HydrophobicContact CD2-CG1 4.22Å; Y109-I130 HydrophobicContact CG-CG1 4.5Å
110K82Confident84.9Confident169 Ų16965.3 Ų65.374%0.73535%0.347SS*.SBendtrans47.431.1-172.1-65.3177.1177.7162.50113.6
111G83.4Confident85Confident45 Ų4570.4 Ų70.446%0.46438%0.375SS..SBendtrans132.5-172.1-170.200000111.6M108 Y109M108-G111 CarbonylContact C-O 3.59Å; M108-G111 VanDerWaalsContact CA-O 3.24Å; M108-G111 WeakPolarHBondContact CA-O 3.44Å; Y109-G111 CarbonylContact C-O 3.56Å; Y109-G111 PolarHBondContact N-O 3.44Å; Y109-G111 PolarHBondContact O-N 3.11Å
112L82.3Confident84.9Confident121 Ų12170.5 Ų70.563%0.63437%0.373SS*.BIsolated β-bridgetrans-74.9129.8171.3-165.279.2000109K106 S114K106-L112 HydrophobicContact CD-CD1 4.44Å; K106-L112 HydrophobicContact CG-CD1 3.73Å; L112-S114 PolarHBondContact O-N 3.35Å
113L85.9Confident84.9Confident8 Ų876 Ų764%0.04239%0.393CS..PPolyproline II helixtrans-72.3121.1177.8-170.8114.9000110.1L90 V107 L119 I122L90-L113 HydrophobicContact CD2-CD1 3.84Å; L90-L113 HydrophobicContact CD2-CD2 4.14Å; V107-L113 HydrophobicContact CB-CB 4Å; V107-L113 HydrophobicContact CB-CD2 4.25Å; V107-L113 HydrophobicContact CG1-CB 3.99Å; V107-L113 HydrophobicContact CG1-CD1 4.25Å; V107-L113 HydrophobicContact CG1-CD2 4.12Å; V107-L113 HydrophobicContact CG1-CG 4.36Å; V107-L113 WeakPolarHBondContact O-CB 3.49Å; V107-L113 PolarHBondContact O-N 3.37Å; L113-L119 HydrophobicContact CD1-CD2 4.49Å; L113-I122 HydrophobicContact CD1-CD1 3.97Å; L113-I122 HydrophobicContact CG-CD1 4.1Å
114S84.1Confident85Confident53 Ų5371.6 Ų71.637%0.37136%0.356SS..PPolyproline II helixtrans-79.8137.9171.6-55.60000110.5L112L112-S114 PolarHBondContact O-N 3.35Å
115E84.4Confident85.2Confident83 Ų8371.1 Ų71.139%0.38836%0.358SS..THydrogen-bonded Turntrans-75.1-29.6-178.2-68.1-178.6-17500112.9G87 A88 K91 K117G87-E115 PolarHBondContact N-O 3.16Å; A88-E115 HydrophobicContact CB-CB 4.29Å; A88-E115 PolarHBondContact N-O 3.49Å; K91-E115 HydrophobicContact CD-CG 4.16Å; K91-E115 VanDerWaalsContact CD-OE1 3.29Å; K91-E115 WeakPolarHBondContact CD-OE1 3.26Å; K91-E115 VanDerWaalsContact CE-OE1 3.26Å; K91-E115 WeakPolarHBondContact CE-OE1 3.29Å; K91-E115 IonicContact NZ-OE1 2.81Å; K91-E115 PolarHBondContact NZ-OE1 3.09Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.48Å
116D83.2Confident85.3Confident154 Ų15475.5 Ų75.582%0.82438%0.382SS*.THydrogen-bonded Turntrans-79.8-10.7-176.8-46.5-70.1000114
117K85.1Confident85.1Confident111 Ų11172.8 Ų72.848%0.48339%0.386SS..SBendtrans-100147-178.1-66.9-175-179.4-178.70111G87 E115 D121 I122G87-K117 PolarHBondContact N-O 3.21Å; E115-K117 VanDerWaalsContact C-N 3.31Å; E115-K117 PolarHBondContact O-N 3.48Å; K117-D121 HydrophobicContact CB-CB 4.35Å; K117-I122 HydrophobicContact CB-CD1 3.92Å; K117-I122 HydrophobicContact CB-CG1 3.87Å
118T88.9Confident85.1Confident30 Ų3073 Ų7318%0.18439%0.388CS..BIsolated β-bridgetrans-77.6159.4174.467.40000111.3S85 R120 D121 I122S85-T118 WeakPolarHBondContact O-CA 3.33Å; T118-R120 PolarHBondContact O-N 3.07Å; T118-D121 PolarHBondContact N-OD2 3.46Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-D121 VanDerWaalsContact O-N 3.16Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.12Å; T118-D121 PolarHBondContact OG1-OD2 3Å; T118-I122 WeakPolarHBondContact O-CD1 3.37Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.11Å
119L85.8Confident85.2Confident0 Ų075.8 Ų75.80%040%0.398CS..THydrogen-bonded Turntrans-62-31174.4-58.1176.3000111.5V66 L68 I81 V83 S85 L90 L113 I122 K123 V124V66-L119 HydrophobicContact CG2-CD1 4.38Å; L68-L119 HydrophobicContact CD1-CD1 4.27Å; I81-L119 HydrophobicContact CD1-CD1 4.28Å; I81-L119 HydrophobicContact CG1-CD1 4.43Å; I81-L119 HydrophobicContact CG2-CD1 3.41Å; I81-L119 VanDerWaalsContact CG2-CD1 3.41Å; V83-L119 WeakPolarHBondContact O-CB 3.35Å; V83-L119 PolarHBondContact O-N 3.29Å; S85-L119 WeakPolarHBondContact O-CG 3.4Å; S85-L119 PolarHBondContact O-N 3.12Å; L90-L119 HydrophobicContact CB-CD2 4.34Å; L90-L119 HydrophobicContact CD2-CD2 3.72Å; L113-L119 HydrophobicContact CD1-CD2 4.49Å; L119-I122 PolarHBondContact O-N 2.71Å; L119-K123 PolarHBondContact O-N 3.35Å; L119-V124 HydrophobicContact CB-CB 4.04Å; L119-V124 HydrophobicContact CB-CG2 4.06Å; L119-V124 HydrophobicContact CD2-CG2 4.08Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 WeakPolarHBondContact O-CG2 3.45Å; L119-V124 PolarHBondContact O-N 3.27Å
120R84.7Confident85.4Confident116 Ų11674.7 Ų74.744%0.43839%0.393SS..THydrogen-bonded Turntrans-61-47.8171.5-167.2-177.6-66.6-87.410.4112E64 V83 D84 T118 I122 K123E64-R120 IonicContact OE2-CZ 2.86Å; E64-R120 VanDerWaalsContact OE2-CZ 3.29Å; E64-R120 IonicContact OE2-NH1 3.46Å; E64-R120 PolarHBondContact OE2-NH1 3.2Å; E64-R120 IonicContact OE2-NH2 3.64Å; E64-R120 PolarHBondContact OE2-NH2 3.36Å; V83-R120 PolarHBondContact O-N 2.85Å; D84-R120 IonicContact OD1-CZ 2.7Å; D84-R120 IonicContact OD1-NE 3.2Å; D84-R120 PolarHBondContact OD1-NE 2.64Å; D84-R120 IonicContact OD1-NH2 2.76Å; D84-R120 PolarHBondContact OD1-NH2 3.24Å; D84-R120 IonicContact OD2-NH2 2.69Å; T118-R120 PolarHBondContact O-N 3.07Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.39Å; R120-K123 WeakPolarHBondContact O-CA 3.33Å; R120-K123 PolarHBondContact O-N 3.43Å
121D85.3Confident85.7Confident108 Ų10871.1 Ų71.158%0.57838%0.381SS*.THydrogen-bonded Turntrans-64.8-34178.9-62.3-40.8000112.8K117 T118 K123K117-D121 HydrophobicContact CB-CB 4.35Å; T118-D121 PolarHBondContact N-OD2 3.46Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-D121 VanDerWaalsContact O-N 3.16Å; T118-D121 PolarHBondContact OG1-N 3.21Å; T118-D121 VanDerWaalsContact OG1-N 3.12Å; T118-D121 PolarHBondContact OG1-OD2 3Å; D121-K123 PolarHBondContact O-N 3.06Å
122I83.5Confident86Confident31 Ų3169.3 Ų69.316%0.15936%0.36CS..THydrogen-bonded Turntrans-79.6-1.3178-57.3163.5000110.9Y109 L113 K117 T118 L119 R120 V124Y109-I122 HydrophobicContact CD1-CG2 3.87Å; Y109-I122 HydrophobicContact CE1-CG2 4.4Å; L113-I122 HydrophobicContact CD1-CD1 3.97Å; L113-I122 HydrophobicContact CG-CD1 4.1Å; K117-I122 HydrophobicContact CB-CD1 3.92Å; K117-I122 HydrophobicContact CB-CG1 3.87Å; T118-I122 WeakPolarHBondContact O-CD1 3.37Å; T118-I122 VanDerWaalsContact O-CG1 3.28Å; T118-I122 WeakPolarHBondContact O-CG1 3.36Å; T118-I122 PolarHBondContact O-N 2.8Å; T118-I122 VanDerWaalsContact O-N 3.11Å; L119-I122 PolarHBondContact O-N 2.71Å; R120-I122 VanDerWaalsContact C-N 3.29Å; R120-I122 PolarHBondContact O-N 3.39Å; I122-V124 VanDerWaalsContact C-N 3.28Å; I122-V124 HydrophobicContact CB-CG2 4.14Å; I122-V124 HydrophobicContact CG2-CG2 4.08Å; I122-V124 PolarHBondContact O-N 2.85Å
123K85.3Confident86.1Confident157 Ų15767.2 Ų67.268%0.68335%0.353SS*.THydrogen-bonded Turntrans55.543.8-178.9-57.5-178.6178.3179.40112Y109 L119 R120 D121Y109-K123 PolarHBondContact OH-O 3.41Å; L119-K123 PolarHBondContact O-N 3.35Å; R120-K123 WeakPolarHBondContact O-CA 3.33Å; R120-K123 PolarHBondContact O-N 3.43Å; D121-K123 PolarHBondContact O-N 3.06Å
124V84.7Confident85.8Confident11 Ų1167.9 Ų67.97%0.06736%0.361CS..PPolyproline II helixtrans-73.8124171.9-178.70000108.1L68 Y109 L119 I122 A128L68-V124 HydrophobicContact CD1-CG1 4.5Å; L68-V124 HydrophobicContact CD2-CG1 3.25Å; Y109-V124 HydrophobicContact CD1-CG2 3.74Å; Y109-V124 HydrophobicContact CE1-CB 4.22Å; Y109-V124 HydrophobicContact CE1-CG2 3.66Å; L119-V124 HydrophobicContact CB-CB 4.04Å; L119-V124 HydrophobicContact CB-CG2 4.06Å; L119-V124 HydrophobicContact CD2-CG2 4.08Å; L119-V124 WeakPolarHBondContact O-CB 3.43Å; L119-V124 WeakPolarHBondContact O-CG2 3.45Å; L119-V124 PolarHBondContact O-N 3.27Å; I122-V124 VanDerWaalsContact C-N 3.28Å; I122-V124 HydrophobicContact CB-CG2 4.14Å; I122-V124 HydrophobicContact CG2-CG2 4.08Å; I122-V124 PolarHBondContact O-N 2.85Å; V124-A128 HydrophobicContact CG1-CB 3.78Å
125T86.6Confident85.5Confident83 Ų8368.4 Ų68.451%0.50937%0.365SS..PPolyproline II helixtrans-103.9163.8-179.656.60000111G127 A128T125-G127 PolarHBondContact O-N 3.02Å; T125-A128 WeakPolarHBondContact O-CB 3.44Å; T125-A128 PolarHBondContact O-N 3.21Å; T125-A128 VanDerWaalsContact O-N 3.09Å
126N86.8Confident85.2Confident98 Ų9865.4 Ų65.452%0.52435%0.352SS..THydrogen-bonded Turntrans-59.6138.6171.3-158.3-2.7000110.7D67 A128D67-N126 WeakPolarHBondContact CA-OD1 3.29Å; D67-N126 WeakPolarHBondContact CB-OD1 3.47Å; D67-N126 PolarHBondContact N-OD1 2.76Å; D67-N126 PolarHBondContact O-OD1 3.2Å; D67-N126 VanDerWaalsContact O-OD1 3.11Å; D67-N126 PolarHBondContact OD2-ND2 2.93Å; D67-N126 VanDerWaalsContact OD2-ND2 3.09Å; D67-N126 PolarHBondContact OD2-OD1 3.47Å; D67-N126 VanDerWaalsContact OD2-OD1 3.13Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 3.17Å
127G83.8Confident84.5Confident56 Ų5662.4 Ų62.458%0.57734%0.335SS*.THydrogen-bonded Turntrans76.18.4-172.900000115.1D67 T125 K129D67-G127 WeakPolarHBondContact O-CA 3.27Å; D67-G127 PolarHBondContact O-N 2.86Å; T125-G127 PolarHBondContact O-N 3.02Å; G127-K129 PolarHBondContact O-N 2.89Å
128A87.4Confident83.5Confident6 Ų663.1 Ų63.15%0.0534%0.344CS..EExtended strand (participates in β ladder)trans-61.7133.1-177.800000112.6L68 K69 Y109 V124 T125 N126L68-A128 HydrophobicContact CD2-CB 3.89Å; K69-A128 PolarHBondContact N-O 2.73Å; Y109-A128 HydrophobicContact CD2-CB 4.31Å; Y109-A128 HydrophobicContact CE2-CB 3.53Å; V124-A128 HydrophobicContact CG1-CB 3.78Å; T125-A128 WeakPolarHBondContact O-CB 3.44Å; T125-A128 PolarHBondContact O-N 3.21Å; T125-A128 VanDerWaalsContact O-N 3.09Å; N126-A128 VanDerWaalsContact C-N 3.3Å; N126-A128 PolarHBondContact O-N 3.17Å
129K90.3Very high82.3Confident128 Ų12865 Ų6556%0.55735%0.354SS*.EExtended strand (participates in β ladder)trans-90.1111.4179.2-169.3-179.2-177.4-176.20110.1K69 I71 G127K69-K129 CarbonylContact O-C 3.54Å; K69-K129 WeakPolarHBondContact O-CA 3.45Å; I71-K129 HydrophobicContact CD1-CD 3.71Å; I71-K129 HydrophobicContact CD1-CG 3.43Å; I71-K129 VanDerWaalsContact CD1-CG 3.43Å; I71-K129 HydrophobicContact CG1-CG 4.26Å; G127-K129 PolarHBondContact O-N 2.89Å
130I90.2Very high81.1Confident0 Ų067.6 Ų67.60%037%0.369CS..EExtended strand (participates in β ladder)trans-104.7122.1179.8-58-168000108.7L68 K69 I70 I71 L90 V107 Y109 V132L68-I130 HydrophobicContact CB-CD1 4.42Å; L68-I130 HydrophobicContact CD1-CD1 3.8Å; L68-I130 HydrophobicContact CD2-CD1 4.42Å; L68-I130 HydrophobicContact CG-CD1 4.45Å; K69-I130 PolarHBondContact O-N 2.97Å; I70-I130 CarbonylContact C-O 3.58Å; I70-I130 WeakPolarHBondContact CA-O 3.45Å; I70-I130 HydrophobicContact CD1-CB 3.8Å; I70-I130 HydrophobicContact CD1-CD1 4.2Å; I70-I130 HydrophobicContact CD1-CG1 4.33Å; I70-I130 HydrophobicContact CD1-CG2 4.19Å; I71-I130 PolarHBondContact N-O 3.06Å; L90-I130 HydrophobicContact CD1-CD1 4.44Å; L90-I130 HydrophobicContact CD2-CD1 3.62Å; V107-I130 HydrophobicContact CG1-CG2 3.34Å; Y109-I130 HydrophobicContact CD2-CG1 4.22Å; Y109-I130 HydrophobicContact CG-CG1 4.5Å; I130-V132 HydrophobicContact CG2-CG2 4.43Å
131M89.2Confident80Confident95 Ų9567.1 Ų67.147%0.46838%0.375SS..EExtended strand (participates in β ladder)trans-94.1128.3176.4-80.9-172.5-91.100109.9I71 M108I71-M131 HydrophobicContact CB-CG 4.39Å; M108-M131 HydrophobicContact CB-CB 4.39Å; M108-M131 HydrophobicContact CE-CB 4.39Å; M108-M131 PolarHBondContact N-O 3.11Å; M108-M131 PolarHBondContact O-N 2.85Å
132V89.4Confident78.8Confident6 Ų665.1 Ų65.14%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-113.1126.7176.9-1760000107.7I70 I71 W72 I94 L100 Q105 V107 I130I70-V132 HydrophobicContact CG2-CG2 3.6Å; I71-V132 PolarHBondContact O-N 3.16Å; W72-V132 HydrophobicContact CB-CB 4.22Å; I94-V132 HydrophobicContact CD1-CG2 3.82Å; I94-V132 HydrophobicContact CG1-CG2 4.43Å; I94-V132 HydrophobicContact CG2-CG1 4.03Å; I94-V132 HydrophobicContact CG2-CG2 4Å; L100-V132 HydrophobicContact CD2-CG1 3.91Å; Q105-V132 HydrophobicContact CB-CG1 4.43Å; Q105-V132 HydrophobicContact CG-CG1 4.42Å; V107-V132 HydrophobicContact CG2-CG1 4.47Å; V107-V132 HydrophobicContact CG2-CG2 4.29Å; I130-V132 HydrophobicContact CG2-CG2 4.43Å
133V83.4Confident77.6Confident78 Ų7869.2 Ų69.247%0.47340%0.399SS..EExtended strand (participates in β ladder)trans-116.1126.7174.9179.70000107.6K106 M108K106-V133 WeakPolarHBondContact CA-O 3.49Å; K106-V133 HydrophobicContact CB-CB 4.15Å; K106-V133 WeakPolarHBondContact CB-O 3.03Å; K106-V133 PolarHBondContact N-O 2.86Å; K106-V133 PolarHBondContact O-N 2.87Å; M108-V133 HydrophobicContact CE-CG2 3.87Å
134G80.4Confident75.9Confident21 Ų2167.5 Ų67.522%0.21640%0.397CS..  trans166152.2178.100000109.9W72 M104W72-G134 PolarHBondContact NE1-O 2.77Å; M104-G134 WeakPolarHBondContact O-CA 3.34Å
135S76.6Confident74Confident65 Ų6571.2 Ų71.246%0.45542%0.42SS..  trans-106.5136.8-178.4-59.80000108.6L100L100-S135 WeakPolarHBondContact CD1-O 3.47Å
136T78.2Confident71.7Confident19 Ų1972.7 Ų72.712%0.11743%0.431CS..  trans-66.6160.7172.164.60000109.9W72 N138 D139 V140W72-T136 HydrophobicContact CH2-CG2 3.55Å; W72-T136 HydrophobicContact CZ2-CG2 3.62Å; T136-N138 PolarHBondContact O-N 2.97Å; T136-D139 PolarHBondContact N-OD2 3.46Å; T136-D139 WeakPolarHBondContact O-CA 3.21Å; T136-D139 WeakPolarHBondContact O-CB 3.38Å; T136-D139 PolarHBondContact O-N 2.84Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.02Å; T136-V140 WeakPolarHBondContact O-CG2 3.24Å; T136-V140 PolarHBondContact O-N 2.98Å
137I68.6Low69.6Low92 Ų9277.3 Ų77.347%0.47245%0.447SS..Hα-helixtrans-55.9-36174.3-65.9165.7000110.4P101 M104 V140 L141P101-I137 HydrophobicContact CG-CD1 4.26Å; M104-I137 HydrophobicContact CE-CG1 4.44Å; M104-I137 HydrophobicContact SD-CG1 4.33Å; I137-V140 PolarHBondContact O-N 2.89Å; I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.38Å
138N65.6Low67.4Low125 Ų12582.4 Ų82.467%0.66846%0.456SS*.Hα-helixtrans-64.1-40174.6-71.2-18.9000112.5T136 A142T136-N138 PolarHBondContact O-N 2.97Å; N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.32Å
139D62.6Low65.5Low71 Ų7186.4 Ų86.438%0.3848%0.479SS..Hα-helixtrans-68.1-39.6174.6-61.2-45.6000111.8T136 A142 V143T136-D139 PolarHBondContact N-OD2 3.46Å; T136-D139 WeakPolarHBondContact O-CA 3.21Å; T136-D139 WeakPolarHBondContact O-CB 3.38Å; T136-D139 PolarHBondContact O-N 2.84Å; T136-D139 PolarHBondContact OG1-N 2.74Å; T136-D139 PolarHBondContact OG1-OD2 3.02Å; D139-A142 PolarHBondContact O-N 3.37Å; D139-V143 WeakPolarHBondContact O-CB 3.34Å; D139-V143 WeakPolarHBondContact O-CG2 3.36Å; D139-V143 PolarHBondContact O-N 2.66Å
140V61.2Low63.1Low54 Ų5485.8 Ų85.833%0.32749%0.486SS..Hα-helixtrans-67.2-40177.4177.10000110.9T136 I137 V143 N144T136-V140 WeakPolarHBondContact O-CG2 3.24Å; T136-V140 PolarHBondContact O-N 2.98Å; I137-V140 PolarHBondContact O-N 2.89Å; V140-V143 PolarHBondContact O-N 3.23Å; V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 PolarHBondContact O-N 3.36Å
141L61.3Low61Low106 Ų10694 Ų9456%0.55552%0.524SS*.Hα-helixtrans-66-39.2174.9-71.5170.3000111.7I137 V143 N144 T145I137-L141 HydrophobicContact CG2-CD1 3.8Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CB 3.19Å; I137-L141 WeakPolarHBondContact O-CG 3.18Å; I137-L141 PolarHBondContact O-N 3.38Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-N144 PolarHBondContact O-N 2.85Å; L141-T145 PolarHBondContact O-N 3.05Å; L141-T145 PolarHBondContact O-OG1 3.24Å
142A60.4Low58.6Low65 Ų6597 Ų9754%0.53754%0.537SS..Hα-helixtrans-66.2-25174.400000113.4N138 D139N138-A142 WeakPolarHBondContact O-CB 3.44Å; N138-A142 PolarHBondContact O-N 3.32Å; D139-A142 PolarHBondContact O-N 3.37Å
143V58.3Low56.3Low117 Ų117105 Ų10571%0.70957%0.574SS**Hα-helixtrans-92.9-27.1179.3173.50000112.5D139 V140 L141D139-V143 WeakPolarHBondContact O-CB 3.34Å; D139-V143 WeakPolarHBondContact O-CG2 3.36Å; D139-V143 PolarHBondContact O-N 2.66Å; V140-V143 PolarHBondContact O-N 3.23Å; L141-V143 PolarHBondContact O-N 3.18Å
144N48.2Very low54.5Low121 Ų121107.5 Ų107.565%0.64759%0.589SS**Hα-helixtrans-94.7-9.5-178.5-84-0.1000115.2V140 L141 P146V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.31Å; V140-N144 PolarHBondContact O-N 3.36Å; L141-N144 PolarHBondContact O-N 2.85Å; N144-P146 WeakPolarHBondContact O-CD 3.4Å
145T44.8Very low52.5Low90 Ų90114.9 Ų114.955%0.55262%0.615SS**SBendtrans-69.3109.9153.239.30000106.8L141 K147L141-T145 PolarHBondContact O-N 3.05Å; L141-T145 PolarHBondContact O-OG1 3.24Å; T145-K147 PolarHBondContact O-N 2.86Å
146P39.8Very low51Low114 Ų114116.2 Ų116.274%0.7463%0.63SS**  trans-54.4116.6168.322.4-29.9000106.1N144 E148N144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-E148 PolarHBondContact O-N 3.47Å
147K41.6Very low49Very low195 Ų195124.3 Ų124.385%0.84867%0.667SS**  trans-6586.8158.6-85.7-177.2177.11790104.9T145 V149T145-K147 PolarHBondContact O-N 2.86Å; K147-V149 PolarHBondContact O-N 3.31Å
148E37.5Very low48Very low163 Ų163128.5 Ų128.576%0.76268%0.684SS**  trans-49.6133.9163.7-164.5173.715400107P146 V150P146-E148 PolarHBondContact O-N 3.47Å; E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 2.81Å
149V47.4Very low46.6Very low90 Ų90129.7 Ų129.755%0.54569%0.691SS.*  trans-49.191.1173.31800000109.3K147 Y288K147-V149 PolarHBondContact O-N 3.31Å; V149-Y288 HydrophobicContact CB-CE1 4.13Å; V149-Y288 HydrophobicContact CG1-CD1 3.96Å; V149-Y288 HydrophobicContact CG1-CE1 3.08Å; V149-Y288 HydrophobicContact CG1-CE2 4.42Å; V149-Y288 VanDerWaalsContact CG1-OH 3.32Å; V149-Y288 WeakPolarHBondContact CG1-OH 3.39Å; V149-Y288 HydrophobicContact CG2-CE1 3.91Å
150V40.3Very low45.4Very low114 Ų114135.7 Ų135.769%0.69171%0.714SS**  trans-124.8110.7165.5-178.60000106.5E148 Q152E148-V150 VanDerWaalsContact C-N 3.29Å; E148-V150 PolarHBondContact O-N 2.81Å; V150-Q152 PolarHBondContact O-N 3.44Å
151Q45.9Very low44.6Very low173 Ų173140.6 Ų140.681%0.80873%0.73SS**  trans-26.3106.6161.3-68163.1-800110.7E153Q151-E153 PolarHBondContact O-N 3.06Å
152Q39Very low44.2Very low158 Ų158141.8 Ų141.874%0.73873%0.733SS**  trans-101.374.7173-157.1172.6-13.700108.8V150V150-Q152 PolarHBondContact O-N 3.44Å
153E42.2Very low44.3Very low175 Ų175141.1 Ų141.182%0.81872%0.723SS**  trans-60.7124.3142.4-85.2-174.614200108.5Q151Q151-E153 PolarHBondContact O-N 3.06Å
154V45.1Very low44.9Very low130 Ų130137.1 Ų137.179%0.78870%0.698SS**  trans5989.2151.4-156.50000118.7
155K37.1Very low45.6Very low176 Ų176131.6 Ų131.677%0.76567%0.669SS**  trans-172.194.2139.4-111.5-179.4174.7-174.70106.6
156A45.3Very low46.8Very low93 Ų93133.1 Ų133.177%0.76966%0.664SS**  51.561.769.200000113.3
157E37.6Very low48.7Very low188 Ų188130.2 Ų130.288%0.87964%0.641SS**  trans-131.888.1145.2-79.8-176160.600105.8N159E157-N159 PolarHBondContact O-N 3.47Å
158E45.9Very low50.3Low180 Ų180130.3 Ų130.384%0.84164%0.641SS**  42.369.3104.4-81.9-165.7146.400113.4K160E158-K160 PolarHBondContact O-N 2.76Å
159N36.4Very low52.3Low151 Ų151128 Ų12881%0.80763%0.63SS**  trans-73.2111.6141.3-129.6-23.2000105.7E157 K161E157-N159 PolarHBondContact O-N 3.47Å; N159-K161 PolarHBondContact O-N 3.13Å
160K37.9Very low54.1Low197 Ų197123.8 Ų123.886%0.85761%0.605SS**  trans-57.772.5174.9-67.9178.1178.3177.30111.6E158E158-K160 PolarHBondContact O-N 2.76Å
161K44.5Very low56.1Low157 Ų157122.2 Ų122.268%0.68359%0.586SS**  trans-112.4129.2154.8-78.6-176.2176.4-179.90104.7N159N159-K161 PolarHBondContact O-N 3.13Å
162E53.5Low57.9Low131 Ų131121.6 Ų121.661%0.61258%0.581SS**  trans-46.4137.6171.9-61.917615000109.1L164 R166E162-L164 PolarHBondContact O-N 3Å; E162-R166 HydrophobicContact CB-CB 4.16Å
163P62.5Low60Low51 Ų51114.2 Ų114.233%0.33155%0.547SS..  trans-49.8141.1179.519.9-32.1000109C165 R166P163-C165 PolarHBondContact O-N 3.4Å; P163-R166 HydrophobicContact CG-CB 4.34Å; P163-R166 HydrophobicContact CG-CG 3.74Å; P163-R166 WeakPolarHBondContact O-CA 3.41Å; P163-R166 WeakPolarHBondContact O-CB 3.3Å; P163-R166 PolarHBondContact O-N 3.01Å
164L70.1Confident62Low33 Ų33106.9 Ų106.917%0.17351%0.513CS..G310 helixtrans-56.9-31.9-167.9-83.184.9000111.2E162 R166 Q167 H170 E242 M252 W266E162-L164 PolarHBondContact O-N 3Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-R166 VanDerWaalsContact O-N 3.13Å; L164-Q167 WeakPolarHBondContact O-CB 3.49Å; L164-Q167 PolarHBondContact O-N 3.04Å; L164-H170 VanDerWaalsContact O-CB 3.28Å; L164-H170 WeakPolarHBondContact O-CB 3.09Å; L164-H170 PolarHBondContact O-CD2 2.96Å; L164-E242 VanDerWaalsContact CB-OE2 3.3Å; L164-E242 WeakPolarHBondContact CB-OE2 3.01Å; L164-E242 HydrophobicContact CD1-CG 4.32Å; L164-E242 WeakPolarHBondContact CD1-OE1 3.45Å; L164-E242 WeakPolarHBondContact CD1-OE2 3.19Å; L164-E242 PolarHBondContact N-OE2 3.13Å; L164-M252 HydrophobicContact CB-SD 3.86Å; L164-W266 HydrophobicContact CD2-CH2 3.12Å; L164-W266 HydrophobicContact CD2-CZ2 3.49Å; L164-W266 VanDerWaalsContact CD2-CZ2 3.49Å; L164-W266 HydrophobicContact CD2-CZ3 4.02Å
165C63Low63.8Low5 Ų5106.4 Ų106.43%0.03451%0.506CS..G310 helixtrans-56-25.2172.164.90000115.9P163 R171 L174 M252P163-C165 PolarHBondContact O-N 3.4Å; C165-R171 PolarHBondContact O-NH1 3.05Å; C165-L174 HydrophobicContact CB-CD1 3.97Å; C165-M252 HydrophobicContact CB-CE 3.56Å
166R69.8Low66.1Low122 Ų122103.6 Ų103.646%0.4649%0.494SS..G310 helixtrans-86.2-18.1176.9-65.9-172.4-179.7167.9-0.8113.7E162 P163 L164 E245E162-R166 HydrophobicContact CB-CB 4.16Å; P163-R166 HydrophobicContact CG-CB 4.34Å; P163-R166 HydrophobicContact CG-CG 3.74Å; P163-R166 WeakPolarHBondContact O-CA 3.41Å; P163-R166 WeakPolarHBondContact O-CB 3.3Å; P163-R166 PolarHBondContact O-N 3.01Å; L164-R166 PolarHBondContact O-N 3.35Å; L164-R166 VanDerWaalsContact O-N 3.13Å; R166-E245 IonicContact CZ-OE1 3.44Å; R166-E245 IonicContact NE-OE1 3.92Å; R166-E245 PolarHBondContact NE-OE1 2.82Å; R166-E245 IonicContact NE-OE2 3.29Å; R166-E245 IonicContact NH2-OE1 3.6Å; R166-E245 PolarHBondContact NH2-OE1 3.09Å
167Q79.6Confident67.9Low52 Ų52100.5 Ų100.524%0.24347%0.471CS..SBendtrans-67.1138177.7-56.1177.214.300110.3L164 Q169 H170 R171L164-Q167 WeakPolarHBondContact O-CB 3.49Å; L164-Q167 PolarHBondContact O-N 3.04Å; Q167-Q169 HydrophobicContact CB-CG 4.37Å; Q167-Q169 PolarHBondContact O-N 2.76Å; Q167-Q169 VanDerWaalsContact OE1-NE2 3.14Å; Q167-H170 PolarHBondContact O-N 2.92Å; Q167-R171 PolarHBondContact O-N 2.81Å
168K76.8Confident70.2Confident197 Ų19796.1 Ų96.186%0.85745%0.449SS*.Hα-helixtrans-50.1-36.4-173.8-70.2-175177.9-179.90114.3K172K168-K172 PolarHBondContact O-N 3.04Å
169Q79.4Confident72Confident115 Ų11588 Ų8854%0.53741%0.412SS..Hα-helixtrans-67.8-37.6-179.561.7-177.9-21.400113.5Q167Q167-Q169 HydrophobicContact CB-CG 4.37Å; Q167-Q169 PolarHBondContact O-N 2.76Å; Q167-Q169 VanDerWaalsContact OE1-NE2 3.14Å
170H83.8Confident74.1Confident1 Ų190.1 Ų90.11%0.00542%0.417CS..Hα-helixtrans-83.5-41.1-177.7-61-52.8000110.3L164 Q167 K172 V173 L174 M252 W266 Y268L164-H170 VanDerWaalsContact O-CB 3.28Å; L164-H170 WeakPolarHBondContact O-CB 3.09Å; L164-H170 PolarHBondContact O-CD2 2.96Å; Q167-H170 PolarHBondContact O-N 2.92Å; H170-K172 VanDerWaalsContact C-N 3.32Å; H170-K172 PolarHBondContact O-N 3.02Å; H170-V173 PolarHBondContact O-N 3.1Å; H170-V173 VanDerWaalsContact O-N 3.1Å; H170-L174 WeakPolarHBondContact O-CG 3.09Å; H170-L174 PolarHBondContact O-N 3.33Å; H170-L174 VanDerWaalsContact O-N 3.11Å; H170-M252 HydrophobicContact CB-CE 4.28Å; H170-M252 HydrophobicContact CB-SD 4.46Å; H170-W266 AromaticContact CE1-CD2 3.44Å; H170-W266 VanDerWaalsContact CE1-CD2 3.44Å; H170-W266 AromaticContact CE1-CE2 3.42Å; H170-W266 VanDerWaalsContact CE1-CE2 3.42Å; H170-W266 AromaticContact CE1-CE3 3.85Å; H170-W266 AromaticContact CE1-CG 3.9Å; H170-W266 AromaticContact CE1-CZ2 3.88Å; H170-W266 AromaticContact CE1-NE1 3.75Å; H170-W266 AromaticContact NE2-CE2 4Å; H170-Y268 HydrophobicContact CB-CE1 3.96Å; H170-Y268 AromaticContact ND1-CE1 3.52Å; H170-Y268 AromaticContact ND1-CZ 3.51Å; H170-Y268 PolarHBondContact ND1-OH 3.11Å
171R82.5Confident76.2Confident82 Ų8285.4 Ų85.431%0.30940%0.401SS..Hα-helixtrans-54.9-45.2176.8-167.177.981.1-17413.5112.1C165 Q167 V173 L174 D175 E245C165-R171 PolarHBondContact O-NH1 3.05Å; Q167-R171 PolarHBondContact O-N 2.81Å; R171-V173 PolarHBondContact O-N 2.74Å; R171-V173 VanDerWaalsContact O-N 3.08Å; R171-L174 CarbonylContact O-C 3.54Å; R171-L174 PolarHBondContact O-N 3.1Å; R171-D175 WeakPolarHBondContact O-CB 3.46Å; R171-D175 PolarHBondContact O-N 2.86Å; R171-E245 IonicContact CZ-OE2 3.81Å; R171-E245 IonicContact NH1-OE2 2.7Å; R171-E245 PolarHBondContact NH1-OE2 2.9Å; R171-E245 IonicContact NH2-OE2 3.06Å
172K83.6Confident78Confident159 Ų15978.6 Ų78.669%0.69137%0.372SS*.Hα-helixtrans-55.5-32179-175.2175.6-178.8177.80114K168 H170K168-K172 PolarHBondContact O-N 3.04Å; H170-K172 VanDerWaalsContact C-N 3.32Å; H170-K172 PolarHBondContact O-N 3.02Å
173V83.6Confident79.3Confident4 Ų475 Ų752%0.02436%0.356CS..Hα-helixtrans-84.6-37.1177.9-177.10000110.9H170 R171 K176 F202 K204 Y268H170-V173 PolarHBondContact O-N 3.1Å; H170-V173 VanDerWaalsContact O-N 3.1Å; R171-V173 PolarHBondContact O-N 2.74Å; R171-V173 VanDerWaalsContact O-N 3.08Å; V173-K176 WeakPolarHBondContact O-CB 3.14Å; V173-K176 PolarHBondContact O-N 3.38Å; V173-F202 HydrophobicContact CG1-CB 3.85Å; V173-F202 HydrophobicContact CG1-CD2 4.16Å; V173-F202 HydrophobicContact CG1-CG 4.41Å; V173-K204 VanDerWaalsContact CG2-O 3.3Å; V173-K204 WeakPolarHBondContact CG2-O 3.28Å; V173-Y268 HydrophobicContact CB-CD2 4.31Å; V173-Y268 HydrophobicContact CB-CE1 4.45Å; V173-Y268 HydrophobicContact CB-CE2 4.2Å; V173-Y268 HydrophobicContact CB-CG 4.49Å; V173-Y268 HydrophobicContact CG1-CD2 3.72Å; V173-Y268 HydrophobicContact CG1-CE2 4.04Å; V173-Y268 HydrophobicContact CG1-CG 3.98Å; V173-Y268 HydrophobicContact CG2-CE2 4.16Å
174L84.2Confident80.3Confident20 Ų2077.2 Ų77.211%0.10537%0.37CS..Hα-helixtrans-68.5-33.7176.5-65.3178.8000112.8C165 H170 R171 K176 G177 I244 M252 Y268 W269C165-L174 HydrophobicContact CB-CD1 3.97Å; H170-L174 WeakPolarHBondContact O-CG 3.09Å; H170-L174 PolarHBondContact O-N 3.33Å; H170-L174 VanDerWaalsContact O-N 3.11Å; R171-L174 CarbonylContact O-C 3.54Å; R171-L174 PolarHBondContact O-N 3.1Å; L174-K176 PolarHBondContact O-N 3.15Å; L174-G177 WeakPolarHBondContact O-CA 3.48Å; L174-G177 PolarHBondContact O-N 2.71Å; L174-I244 HydrophobicContact CD1-CG2 4.08Å; L174-I244 HydrophobicContact CD2-CD1 3.76Å; L174-I244 HydrophobicContact CD2-CG1 4.11Å; L174-I244 HydrophobicContact CD2-CG2 3.86Å; L174-M252 HydrophobicContact CD1-CE 3.62Å; L174-M252 HydrophobicContact CD2-CE 4.46Å; L174-M252 HydrophobicContact CG-CE 4.36Å; L174-Y268 HydrophobicContact CD2-CD1 4.15Å; L174-Y268 HydrophobicContact CG-CD1 4.49Å; L174-W269 HydrophobicContact CD2-CZ2 4.1Å
175D84.1Confident80.9Confident120 Ų12076.7 Ų76.764%0.64237%0.371SS*.THydrogen-bonded Turntrans-63.3-20.2176.9-67.4-19.8000112.5R171 G177R171-D175 WeakPolarHBondContact O-CB 3.46Å; R171-D175 PolarHBondContact O-N 2.86Å; D175-G177 PolarHBondContact O-N 3.44Å
176K83.4Confident81.7Confident118 Ų11880.3 Ų80.351%0.51339%0.389SS..THydrogen-bonded Turntrans-67.3-13.1170.8-65.3-178.4168.1-174.80112.6V173 L174 F202 S205 G206V173-K176 WeakPolarHBondContact O-CB 3.14Å; V173-K176 PolarHBondContact O-N 3.38Å; L174-K176 PolarHBondContact O-N 3.15Å; K176-F202 HydrophobicContact CB-CE2 4.34Å; K176-S205 PolarHBondContact NZ-O 3.12Å; K176-S205 VanDerWaalsContact NZ-O 3.07Å; K176-G206 PolarHBondContact NZ-O 3.23Å
177G83.5Confident81.9Confident28 Ų2882.2 Ų82.229%0.28940%0.4SS..  trans83.3177.8-178.100000113.6L174 D175 W269L174-G177 WeakPolarHBondContact O-CA 3.48Å; L174-G177 PolarHBondContact O-N 2.71Å; D175-G177 PolarHBondContact O-N 3.44Å; G177-W269 VanDerWaalsContact C-CZ2 3.47Å; G177-W269 PolarHBondContact O-NE1 3.45Å
178K86Confident81.5Confident95 Ų9583.6 Ų83.641%0.41343%0.429SS..  trans-66129.1177.1-177.9178.9177.2174.80109.7E180 I182 Y250 W269K178-E180 PolarHBondContact O-N 2.79Å; K178-I182 HydrophobicContact CD-CG2 4.28Å; K178-I182 HydrophobicContact CG-CG2 3.92Å; K178-Y250 HydrophobicContact CD-CE2 4.17Å; K178-Y250 VanDerWaalsContact CE-CE2 3.49Å; K178-Y250 VanDerWaalsContact CE-CZ 3.48Å; K178-Y250 WeakPolarHBondContact CE-OH 3.14Å; K178-Y250 VanDerWaalsContact NZ-CE2 3.33Å; K178-Y250 PolarHBondContact NZ-OH 3.08Å; K178-W269 HydrophobicContact CB-CE3 4.24Å; K178-W269 HydrophobicContact CB-CH2 3.93Å; K178-W269 HydrophobicContact CB-CZ2 4.28Å; K178-W269 HydrophobicContact CB-CZ3 3.91Å; K178-W269 HydrophobicContact CG-CE3 4.14Å; K178-W269 HydrophobicContact CG-CZ3 4.17Å
179P84.6Confident81.6Confident9 Ų975.8 Ų75.86%0.05840%0.401CS..  trans-62135.3173.9-11.620.4000110.8D181 I182 G200 F202 W269P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 3.44Å; P179-I182 HydrophobicContact CB-CB 4.18Å; P179-I182 HydrophobicContact CG-CB 4.31Å; P179-I182 WeakPolarHBondContact O-CB 3.47Å; P179-I182 WeakPolarHBondContact O-CG2 3.36Å; P179-I182 PolarHBondContact O-N 2.81Å; P179-G200 WeakPolarHBondContact CB-O 3.27Å; P179-G200 WeakPolarHBondContact CG-O 3.31Å; P179-F202 HydrophobicContact CB-CE1 4.17Å; P179-F202 HydrophobicContact CB-CE2 4.28Å; P179-F202 HydrophobicContact CB-CZ 3.88Å; P179-F202 HydrophobicContact CG-CD1 4.33Å; P179-F202 HydrophobicContact CG-CD2 3.92Å; P179-F202 HydrophobicContact CG-CE1 4.09Å; P179-F202 HydrophobicContact CG-CE2 3.66Å; P179-F202 HydrophobicContact CG-CG 4.24Å; P179-F202 HydrophobicContact CG-CZ 3.74Å; P179-W269 VanDerWaalsContact CD-CD1 3.42Å; P179-W269 VanDerWaalsContact CD-CG 3.42Å; P179-W269 HydrophobicContact CG-CB 4.13Å; P179-W269 HydrophobicContact CG-CG 3.96Å
180E80Confident81.6Confident196 Ų19678.2 Ų78.292%0.91641%0.41SS*.THydrogen-bonded Turntrans-67.5-31.2179.9-63.3-180169.700112.7K178 I182K178-E180 PolarHBondContact O-N 2.79Å; E180-I182 VanDerWaalsContact C-N 3.29Å; E180-I182 PolarHBondContact O-N 3.4Å
181D81.1Confident81.7Confident98 Ų9882.2 Ų82.252%0.52443%0.428SS..THydrogen-bonded Turntrans-87.28.6179.5-56.3-44.8000113.4P179 K208P179-D181 VanDerWaalsContact C-N 3.3Å; P179-D181 PolarHBondContact O-N 3.44Å; D181-K208 IonicContact OD2-NZ 2.63Å; D181-K208 PolarHBondContact OD2-NZ 3.02Å
182I83.3Confident81.8Confident14 Ų1489 Ų897%0.07245%0.454CS..PPolyproline II helixtrans-70.8139.9-177-16566.5000110.6K178 P179 E180 G200 M201 Y250 W269K178-I182 HydrophobicContact CD-CG2 4.28Å; K178-I182 HydrophobicContact CG-CG2 3.92Å; P179-I182 HydrophobicContact CB-CB 4.18Å; P179-I182 HydrophobicContact CG-CB 4.31Å; P179-I182 WeakPolarHBondContact O-CB 3.47Å; P179-I182 WeakPolarHBondContact O-CG2 3.36Å; P179-I182 PolarHBondContact O-N 2.81Å; E180-I182 VanDerWaalsContact C-N 3.29Å; E180-I182 PolarHBondContact O-N 3.4Å; I182-G200 VanDerWaalsContact CD1-C 3.42Å; I182-G200 WeakPolarHBondContact CD1-O 3.19Å; I182-M201 HydrophobicContact CD1-CB 4.25Å; I182-M201 HydrophobicContact CD1-CG 3.51Å; I182-Y250 HydrophobicContact CG1-CD1 4.49Å; I182-Y250 HydrophobicContact CG1-CE1 3.77Å; I182-Y250 HydrophobicContact CG2-CE1 4.22Å; I182-W269 HydrophobicContact CD1-CB 4.15Å; I182-W269 WeakPolarHBondContact CD1-O 3.33Å; I182-W269 HydrophobicContact CG1-CB 4.28Å; I182-W269 WeakPolarHBondContact CG1-O 3.49Å
183M81.3Confident81.9Confident55 Ų5582.6 Ų82.627%0.27143%0.427SS..PPolyproline II helixtrans-57.3133.6171.9-167.1172-72.700110.1A185 L198 Y250 P271 F274M183-A185 PolarHBondContact O-N 2.92Å; M183-L198 HydrophobicContact CE-CD2 4Å; M183-L198 HydrophobicContact SD-CD2 3.8Å; M183-Y250 PolarHBondContact O-OH 3.38Å; M183-Y250 VanDerWaalsContact O-OH 3.11Å; M183-P271 HydrophobicContact CB-CG 4.19Å; M183-F274 HydrophobicContact SD-CE2 3.57Å; M183-F274 VanDerWaalsContact SD-CE2 3.57Å; M183-F274 HydrophobicContact SD-CZ 4.04Å
184P82.8Confident81.8Confident98 Ų9884 Ų8464%0.63644%0.436SS*.PPolyproline II helixtrans-58135.6177.1-25.634.7000111.4Q273P184-Q273 PolarHBondContact O-NE2 2.9Å
185A82.2Confident81.6Confident22 Ų2289.9 Ų89.918%0.18247%0.473CS..PPolyproline II helixtrans-87.2141.517300000111M183 D249 Y250 P271 Q273M183-A185 PolarHBondContact O-N 2.92Å; A185-D249 HydrophobicContact CB-CB 3.75Å; A185-D249 WeakPolarHBondContact CB-O 3.46Å; A185-Y250 HydrophobicContact CB-CD1 4.32Å; A185-Y250 HydrophobicContact CB-CD2 4.38Å; A185-Y250 HydrophobicContact CB-CE1 3.85Å; A185-Y250 HydrophobicContact CB-CE2 3.89Å; A185-Y250 PolarHBondContact N-OH 2.88Å; A185-P271 HydrophobicContact CB-CB 4.08Å; A185-Q273 VanDerWaalsContact CA-OE1 3.28Å
186I80.8Confident81.7Confident81 Ų8188 Ų8842%0.41547%0.466SS..  trans-108.9107.7175.8-55174.3000107.6G188 A189 Q273I186-G188 PolarHBondContact O-N 2.81Å; I186-A189 HydrophobicContact CB-CB 3.92Å; I186-A189 HydrophobicContact CG2-CB 3.57Å; I186-A189 PolarHBondContact O-N 3.23Å; I186-Q273 VanDerWaalsContact N-OE1 3.12Å
187K73.4Confident81.9Confident162 Ų16284.6 Ų84.670%0.70446%0.456SS*.THydrogen-bonded Turntrans-63.2126.6-176.6-170.8170.3-176.9167.20110.8A189K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 2.92Å
188G72Confident82.2Confident82 Ų8283.3 Ų83.385%0.84544%0.442SS*.THydrogen-bonded Turntrans77.90.3176.300000115.5I186I186-G188 PolarHBondContact O-N 2.81Å
189A77.3Confident82.3Confident32 Ų3281.2 Ų81.226%0.26444%0.439SS..  trans-87.3146.6172.600000110.6I186 K187 Q273I186-A189 HydrophobicContact CB-CB 3.92Å; I186-A189 HydrophobicContact CG2-CB 3.57Å; I186-A189 PolarHBondContact O-N 3.23Å; K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 2.92Å; A189-Q273 HydrophobicContact CB-CB 4.2Å; A189-Q273 WeakPolarHBondContact O-CA 3.44Å; A189-Q273 VanDerWaalsContact O-CB 3.25Å; A189-Q273 WeakPolarHBondContact O-CB 3.19Å
190K80.9Confident82.3Confident166 Ų16681.2 Ų81.272%0.72244%0.441SS*.  trans-117.7107165.5-62.6-173.8-176.8-151.10107.2D276K190-D276 WeakPolarHBondContact CD-OD2 3.42Å; K190-D276 WeakPolarHBondContact CE-OD2 3.47Å; K190-D276 IonicContact NZ-OD2 2.93Å; K190-D276 PolarHBondContact NZ-OD2 2.9Å
191E84.3Confident82.9Confident85 Ų8571.9 Ų71.940%0.39740%0.398SS..  trans-105.5150.6-179.1-79-170.4163.200110.9Q273 F274 A277E191-Q273 HydrophobicContact CB-CB 4.46Å; E191-Q273 HydrophobicContact CB-CG 4.27Å; E191-Q273 PolarHBondContact N-O 2.81Å; E191-F274 HydrophobicContact CB-CD1 4.1Å; E191-F274 HydrophobicContact CB-CE1 3.68Å; E191-A277 WeakPolarHBondContact O-CB 3.31Å
192R84.9Confident83.4Confident226 Ų22668.3 Ų68.385%0.85338%0.378SS*.PPolyproline II helixtrans-67.6155.6170.3-66.2-169.6-179-174.92109.7F274R192-F274 WeakPolarHBondContact O-CE1 3.33Å
193L85.5Confident83.8Confident23 Ų2368.7 Ų68.712%0.1238%0.38CS..PPolyproline II helixtrans-57.3129.8174.4-63.8-177.3000110.4F213 F274 A277 I278 T281L193-F213 HydrophobicContact CD1-CB 4.21Å; L193-F213 HydrophobicContact CD1-CD1 3.59Å; L193-F213 HydrophobicContact CD1-CD2 4.11Å; L193-F213 HydrophobicContact CD1-CE1 3.93Å; L193-F213 HydrophobicContact CD1-CE2 4.43Å; L193-F213 HydrophobicContact CD1-CG 3.7Å; L193-F213 HydrophobicContact CD1-CZ 4.36Å; L193-F213 HydrophobicContact CD2-CE2 4.31Å; L193-F213 HydrophobicContact CD2-CZ 4.45Å; L193-F274 HydrophobicContact CD2-CB 4.37Å; L193-A277 HydrophobicContact CD2-CB 3.86Å; L193-A277 HydrophobicContact CG-CB 3.88Å; L193-I278 HydrophobicContact CD2-CB 4.3Å; L193-I278 HydrophobicContact CD2-CD1 4.45Å; L193-I278 HydrophobicContact CD2-CG1 3.38Å; L193-T281 HydrophobicContact CD1-CG2 3.71Å; L193-T281 WeakPolarHBondContact CD1-OG1 3.43Å
194P81.8Confident84.1Confident33 Ų3373.2 Ų73.221%0.21440%0.398CS..PPolyproline II helixtrans-69.1154.4175.427.9-31.5000110.2V196 L198 F274P194-V196 HydrophobicContact CB-CG2 3.79Å; P194-V196 HydrophobicContact CG-CG2 4.35Å; P194-V196 PolarHBondContact O-N 3Å; P194-L198 HydrophobicContact CG-CD2 3.51Å; P194-L198 HydrophobicContact CG-CG 4.32Å; P194-F274 HydrophobicContact CG-CE1 4.25Å; P194-F274 HydrophobicContact CG-CZ 4.26Å
195T79.8Confident84.2Confident144 Ų14472.8 Ų72.888%0.88340%0.397SS*.SBendtrans-72-17.9170.953.90000112.1
196V86.4Confident84.3Confident81 Ų8172.3 Ų72.349%0.49139%0.394SS..SBendtrans-86.8149.8175.2-63.60000111.4P194 L198P194-V196 HydrophobicContact CB-CG2 3.79Å; P194-V196 HydrophobicContact CG-CG2 4.35Å; P194-V196 PolarHBondContact O-N 3Å; V196-L198 PolarHBondContact O-N 3.18Å
197P87.8Confident84.7Confident46 Ų4669.9 Ų69.930%0.29939%0.389SS..  trans-64.4133.2178-21.233000113S199 R210 L211 T212P197-S199 PolarHBondContact O-N 2.88Å; P197-S199 PolarHBondContact O-OG 2.78Å; P197-R210 HydrophobicContact CB-CG 3.72Å; P197-L211 CarbonylContact C-O 3.49Å; P197-L211 WeakPolarHBondContact CA-O 3.46Å; P197-T212 WeakPolarHBondContact CB-OG1 3.42Å; P197-T212 HydrophobicContact CG-CG2 4.14Å; P197-T212 WeakPolarHBondContact CG-OG1 3.32Å
198L90.6Very high85.5Confident2 Ų267.9 Ų67.91%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-70115.1167.5-60.7-176.9000108.1M183 P194 V196 M201 R210 L211 F213 F274 I278M183-L198 HydrophobicContact CE-CD2 4Å; M183-L198 HydrophobicContact SD-CD2 3.8Å; P194-L198 HydrophobicContact CG-CD2 3.51Å; P194-L198 HydrophobicContact CG-CG 4.32Å; V196-L198 PolarHBondContact O-N 3.18Å; L198-M201 HydrophobicContact CB-CE 3.56Å; L198-M201 WeakPolarHBondContact O-CE 3.2Å; L198-R210 CarbonylContact O-C 3.53Å; L198-R210 VanDerWaalsContact O-CA 3.28Å; L198-R210 WeakPolarHBondContact O-CA 3.3Å; L198-L211 HydrophobicContact CB-CB 4.4Å; L198-L211 PolarHBondContact N-O 3.42Å; L198-L211 PolarHBondContact O-N 3.07Å; L198-F213 HydrophobicContact CD1-CE2 4.03Å; L198-F213 HydrophobicContact CG-CE2 4.47Å; L198-F274 HydrophobicContact CD1-CB 4.25Å; L198-F274 HydrophobicContact CD1-CD2 4.19Å; L198-F274 HydrophobicContact CD1-CG 4.34Å; L198-F274 HydrophobicContact CD2-CD2 3.76Å; L198-F274 HydrophobicContact CD2-CE2 3.81Å; L198-F274 HydrophobicContact CD2-CG 4.38Å; L198-F274 HydrophobicContact CD2-CZ 4.45Å; L198-I278 HydrophobicContact CD1-CD1 3.96Å
199S87.7Confident86.5Confident50 Ų5064.1 Ų64.135%0.3534%0.341SS..EExtended strand (participates in β ladder)trans-121.1164.5-173.5-58.80000111.2P197P197-S199 PolarHBondContact O-N 2.88Å; P197-S199 PolarHBondContact O-OG 2.78Å
200G83.8Confident87.3Confident9 Ų968.2 Ų68.29%0.09335%0.35CS..EExtended strand (participates in β ladder)trans86.90.9175.900000114.9P179 I182P179-G200 WeakPolarHBondContact CB-O 3.27Å; P179-G200 WeakPolarHBondContact CG-O 3.31Å; I182-G200 VanDerWaalsContact CD1-C 3.42Å; I182-G200 WeakPolarHBondContact CD1-O 3.19Å
201M92.6Very high87.9Confident1 Ų160.3 Ų60.31%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-74.8167.2176.8-69.9168.1-69.700111.8I182 L198 K208 V209 L211 V267 Y268 V270I182-M201 HydrophobicContact CD1-CB 4.25Å; I182-M201 HydrophobicContact CD1-CG 3.51Å; L198-M201 HydrophobicContact CB-CE 3.56Å; L198-M201 WeakPolarHBondContact O-CE 3.2Å; M201-K208 CarbonylContact O-C 3.55Å; M201-K208 WeakPolarHBondContact O-CA 3.42Å; M201-V209 HydrophobicContact CB-CG1 3.67Å; M201-V209 PolarHBondContact N-O 3.01Å; M201-V209 PolarHBondContact O-N 2.76Å; M201-L211 HydrophobicContact CE-CB 3.97Å; M201-L211 HydrophobicContact CE-CD1 3.8Å; M201-L211 HydrophobicContact CE-CG 3.59Å; M201-L211 HydrophobicContact SD-CD1 4.07Å; M201-L211 HydrophobicContact SD-CG 4.46Å; M201-V267 HydrophobicContact CB-CG1 3.67Å; M201-V267 HydrophobicContact CE-CG1 4.47Å; M201-V267 HydrophobicContact CG-CG1 4.05Å; M201-V267 HydrophobicContact SD-CG1 3.56Å; M201-V267 VanDerWaalsContact SD-CG1 3.56Å; M201-Y268 WeakPolarHBondContact CB-O 3.34Å; M201-V270 HydrophobicContact SD-CB 4.42Å; M201-V270 HydrophobicContact SD-CG2 3.86Å
202F92Very high88.3Confident23 Ų2357.2 Ų57.210%0.10130%0.302CS..EExtended strand (participates in β ladder)trans-109.1151.5173.2-71.4-30.8000113.2V173 K176 P179 G207 K208 V267 Y268 W269V173-F202 HydrophobicContact CG1-CB 3.85Å; V173-F202 HydrophobicContact CG1-CD2 4.16Å; V173-F202 HydrophobicContact CG1-CG 4.41Å; K176-F202 HydrophobicContact CB-CE2 4.34Å; P179-F202 HydrophobicContact CB-CE1 4.17Å; P179-F202 HydrophobicContact CB-CE2 4.28Å; P179-F202 HydrophobicContact CB-CZ 3.88Å; P179-F202 HydrophobicContact CG-CD1 4.33Å; P179-F202 HydrophobicContact CG-CD2 3.92Å; P179-F202 HydrophobicContact CG-CE1 4.09Å; P179-F202 HydrophobicContact CG-CE2 3.66Å; P179-F202 HydrophobicContact CG-CG 4.24Å; P179-F202 HydrophobicContact CG-CZ 3.74Å; F202-G207 CarbonylContact C-O 3.52Å; F202-G207 WeakPolarHBondContact CA-O 3.23Å; F202-K208 HydrophobicContact CD1-CG 4.49Å; F202-K208 HydrophobicContact CE1-CG 4.14Å; F202-V267 CarbonylContact O-C 3.53Å; F202-V267 VanDerWaalsContact O-CA 3.31Å; F202-V267 WeakPolarHBondContact O-CA 3.01Å; F202-Y268 HydrophobicContact CB-CD2 4.48Å; F202-Y268 PolarHBondContact N-O 2.8Å; F202-Y268 WeakPolarHBondContact O-CD2 3.47Å; F202-Y268 PolarHBondContact O-N 2.78Å; F202-W269 AromaticContact CD2-CD1 3.73Å; F202-W269 AromaticContact CD2-NE1 3.88Å
203N91.2Very high88.7Confident22 Ų2247.3 Ų47.312%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-96.1-178.3167.271.912.7000111.8S205 G206 G207 V209 W266N203-S205 PolarHBondContact O-N 2.85Å; N203-S205 VanDerWaalsContact O-N 3.11Å; N203-S205 WeakPolarHBondContact OD1-CA 3.48Å; N203-S205 WeakPolarHBondContact OD1-CB 3.38Å; N203-S205 PolarHBondContact OD1-N 3.3Å; N203-G206 WeakPolarHBondContact O-CA 3.47Å; N203-G206 PolarHBondContact O-N 3.49Å; N203-G206 PolarHBondContact OD1-N 2.77Å; N203-G206 VanDerWaalsContact OD1-N 3.12Å; N203-G207 PolarHBondContact N-O 3.48Å; N203-G207 PolarHBondContact OD1-N 3.25Å; N203-G207 PolarHBondContact OD1-O 3.37Å; N203-V209 HydrophobicContact CB-CB 4.48Å; N203-W266 WeakPolarHBondContact CA-O 3.44Å
204K87.6Confident88.9Confident149 Ų14950.4 Ų50.465%0.64828%0.278SS*.THydrogen-bonded Turntrans-57.2-23.4177.871.4179.3-178.1-177.40115.7V173 G206V173-K204 VanDerWaalsContact CG2-O 3.3Å; V173-K204 WeakPolarHBondContact CG2-O 3.28Å; K204-G206 VanDerWaalsContact C-N 3.33Å
205S85.4Confident89.2Confident89 Ų8953.8 Ų53.862%0.62229%0.294SS*.THydrogen-bonded Turntrans-89.5-4.1175.7-530000112K176 N203 G207K176-S205 PolarHBondContact NZ-O 3.12Å; K176-S205 VanDerWaalsContact NZ-O 3.07Å; N203-S205 PolarHBondContact O-N 2.85Å; N203-S205 VanDerWaalsContact O-N 3.11Å; N203-S205 WeakPolarHBondContact OD1-CA 3.48Å; N203-S205 WeakPolarHBondContact OD1-CB 3.38Å; N203-S205 PolarHBondContact OD1-N 3.3Å; S205-G207 VanDerWaalsContact C-N 3.29Å
206G84.8Confident89.6Confident12 Ų1256.3 Ų56.312%0.12430%0.296CS..SBendtrans67.427.9-170.600000113.4K176 N203 K204K176-G206 PolarHBondContact NZ-O 3.23Å; N203-G206 WeakPolarHBondContact O-CA 3.47Å; N203-G206 PolarHBondContact O-N 3.49Å; N203-G206 PolarHBondContact OD1-N 2.77Å; N203-G206 VanDerWaalsContact OD1-N 3.12Å; K204-G206 VanDerWaalsContact C-N 3.33Å
207G88.8Confident89.7Confident30 Ų3057.7 Ų57.731%0.30930%0.297SS..  trans-85.4149.5167.300000110.6F202 N203 S205 V209F202-G207 CarbonylContact C-O 3.52Å; F202-G207 WeakPolarHBondContact CA-O 3.23Å; N203-G207 PolarHBondContact N-O 3.48Å; N203-G207 PolarHBondContact OD1-N 3.25Å; N203-G207 PolarHBondContact OD1-O 3.37Å; S205-G207 VanDerWaalsContact C-N 3.29Å; G207-V209 PolarHBondContact O-N 3.11Å
208K91.1Very high89.8Confident121 Ų12159.6 Ų59.653%0.52630%0.304SS..EExtended strand (participates in β ladder)trans-63.8130.9178.2-65.6-175.1-179-176.30110.5D181 M201 F202D181-K208 IonicContact OD2-NZ 2.63Å; D181-K208 PolarHBondContact OD2-NZ 3.02Å; M201-K208 CarbonylContact O-C 3.55Å; M201-K208 WeakPolarHBondContact O-CA 3.42Å; F202-K208 HydrophobicContact CD1-CG 4.49Å; F202-K208 HydrophobicContact CE1-CG 4.14Å
209V93.3Very high89.9Confident3 Ų362 Ų622%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-126.2144.3177.271.30000110.6M201 N203 G207 I222 G223 T224 Y265 V267M201-V209 HydrophobicContact CB-CG1 3.67Å; M201-V209 PolarHBondContact N-O 3.01Å; M201-V209 PolarHBondContact O-N 2.76Å; N203-V209 HydrophobicContact CB-CB 4.48Å; G207-V209 PolarHBondContact O-N 3.11Å; V209-I222 HydrophobicContact CG2-CG2 3.54Å; V209-G223 CarbonylContact C-O 3.55Å; V209-G223 WeakPolarHBondContact CA-O 3.39Å; V209-G223 WeakPolarHBondContact CG2-O 3.3Å; V209-T224 HydrophobicContact CG2-CG2 4.3Å; V209-Y265 HydrophobicContact CG2-CE1 4.39Å; V209-V267 HydrophobicContact CG1-CG1 3.9Å
210R92.8Very high90.2Very high117 Ų11759.6 Ų59.644%0.44230%0.299SS..EExtended strand (participates in β ladder)trans-117.9131.3177155.3171.172-167.53.7108.4P197 L198 G223P197-R210 HydrophobicContact CB-CG 3.72Å; L198-R210 CarbonylContact O-C 3.53Å; L198-R210 VanDerWaalsContact O-CA 3.28Å; L198-R210 WeakPolarHBondContact O-CA 3.3Å; R210-G223 PolarHBondContact N-O 2.83Å; R210-G223 PolarHBondContact O-N 3.12Å
211L93.8Very high90.7Very high0 Ų062 Ų620%031%0.305CS..EExtended strand (participates in β ladder)trans-107.3123170.9-59.1179.3000109.4P197 L198 M201 F213 L220 W221 I222 M253 F255 V267P197-L211 CarbonylContact C-O 3.49Å; P197-L211 WeakPolarHBondContact CA-O 3.46Å; L198-L211 HydrophobicContact CB-CB 4.4Å; L198-L211 PolarHBondContact N-O 3.42Å; L198-L211 PolarHBondContact O-N 3.07Å; M201-L211 HydrophobicContact CE-CB 3.97Å; M201-L211 HydrophobicContact CE-CD1 3.8Å; M201-L211 HydrophobicContact CE-CG 3.59Å; M201-L211 HydrophobicContact SD-CD1 4.07Å; M201-L211 HydrophobicContact SD-CG 4.46Å; L211-F213 HydrophobicContact CB-CE2 3.98Å; L211-F213 HydrophobicContact CB-CZ 4.36Å; L211-L220 HydrophobicContact CB-CD1 4.26Å; L211-L220 HydrophobicContact CD2-CD1 4.3Å; L211-W221 WeakPolarHBondContact CA-O 3.41Å; L211-I222 HydrophobicContact CD2-CB 4.36Å; L211-I222 HydrophobicContact CD2-CG1 3.92Å; L211-I222 HydrophobicContact CD2-CG2 4.2Å; L211-M253 HydrophobicContact CD1-CE 4.38Å; L211-F255 HydrophobicContact CD1-CE2 3.97Å; L211-F255 HydrophobicContact CD1-CZ 4.06Å; L211-F255 HydrophobicContact CD2-CE2 4.38Å; L211-V267 HydrophobicContact CD1-CG1 4.33Å; L211-V267 HydrophobicContact CD1-CG2 4.43Å; L211-V267 HydrophobicContact CD2-CG2 4.4Å
212T93.5Very high90.8Very high20 Ų2062 Ų6212%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-117.2124.1173.4-50.70000109.1P197 W221P197-T212 WeakPolarHBondContact CB-OG1 3.42Å; P197-T212 HydrophobicContact CG-CG2 4.14Å; P197-T212 WeakPolarHBondContact CG-OG1 3.32Å; T212-W221 PolarHBondContact N-O 2.94Å; T212-W221 PolarHBondContact O-N 2.92Å
213F92.3Very high90.8Very high18 Ų1861.1 Ų61.18%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-97.1109.9178.5-62.3-94.4000109.4L193 L198 L211 L215 L220 M233 I278 V282L193-F213 HydrophobicContact CD1-CB 4.21Å; L193-F213 HydrophobicContact CD1-CD1 3.59Å; L193-F213 HydrophobicContact CD1-CD2 4.11Å; L193-F213 HydrophobicContact CD1-CE1 3.93Å; L193-F213 HydrophobicContact CD1-CE2 4.43Å; L193-F213 HydrophobicContact CD1-CG 3.7Å; L193-F213 HydrophobicContact CD1-CZ 4.36Å; L193-F213 HydrophobicContact CD2-CE2 4.31Å; L193-F213 HydrophobicContact CD2-CZ 4.45Å; L198-F213 HydrophobicContact CD1-CE2 4.03Å; L198-F213 HydrophobicContact CG-CE2 4.47Å; L211-F213 HydrophobicContact CB-CE2 3.98Å; L211-F213 HydrophobicContact CB-CZ 4.36Å; F213-L215 HydrophobicContact CB-CD2 4.15Å; F213-L215 PolarHBondContact O-N 2.81Å; F213-L220 HydrophobicContact CD1-CD1 3.88Å; F213-L220 HydrophobicContact CE1-CD1 3.61Å; F213-L220 HydrophobicContact CE2-CD1 4.33Å; F213-L220 HydrophobicContact CG-CD1 4.35Å; F213-L220 HydrophobicContact CZ-CD1 3.83Å; F213-M233 HydrophobicContact CB-CE 4.22Å; F213-M233 HydrophobicContact CD1-CE 3.82Å; F213-I278 HydrophobicContact CE1-CG1 4.26Å; F213-I278 HydrophobicContact CE1-CG2 4.02Å; F213-I278 HydrophobicContact CE2-CD1 4.5Å; F213-I278 HydrophobicContact CE2-CG1 4.29Å; F213-I278 HydrophobicContact CZ-CB 4.34Å; F213-I278 HydrophobicContact CZ-CD1 4Å; F213-I278 HydrophobicContact CZ-CG1 3.65Å; F213-I278 HydrophobicContact CZ-CG2 3.94Å; F213-V282 HydrophobicContact CE1-CG2 4.23Å
214K90.9Very high90.9Very high88 Ų8861.5 Ų61.538%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-96.779.3174.3-69.9-64.8-170.4176.40108.7E216 Q217 D218 Q219K214-E216 VanDerWaalsContact C-N 3.3Å; K214-E216 PolarHBondContact O-N 3.27Å; K214-Q217 HydrophobicContact CB-CB 4.2Å; K214-Q217 CarbonylContact O-C 3.45Å; K214-Q217 PolarHBondContact O-N 2.93Å; K214-Q217 VanDerWaalsContact O-N 3.08Å; K214-D218 PolarHBondContact O-N 3.09Å; K214-Q219 HydrophobicContact CB-CB 4.32Å; K214-Q219 PolarHBondContact N-O 3.31Å; K214-Q219 PolarHBondContact O-N 2.9Å; K214-Q219 VanDerWaalsContact O-N 3.11Å
215L87.9Confident90.9Very high104 Ų10464.5 Ų64.555%0.54532%0.319SS..G310 helixtrans-58.4-39.9-175.4-55.5-177000112.6F213 Q217 D218 M233 T281F213-L215 HydrophobicContact CB-CD2 4.15Å; F213-L215 PolarHBondContact O-N 2.81Å; L215-Q217 PolarHBondContact O-N 2.82Å; L215-D218 PolarHBondContact O-N 2.85Å; L215-M233 HydrophobicContact CD2-CE 4.08Å; L215-T281 HydrophobicContact CD2-CG2 3.34Å
216E87.8Confident91Very high198 Ų19868.3 Ų68.393%0.92533%0.327SS*.G310 helixtrans-63.6-28.4178-64.8178.9174.100113.5K214K214-E216 VanDerWaalsContact C-N 3.3Å; K214-E216 PolarHBondContact O-N 3.27Å
217Q88.1Confident91.3Very high109 Ų10974.6 Ų74.651%0.50935%0.346SS..G310 helixtrans-1021.4-178.6-59.5-173.8-53.400112.3K214 L215 Q219K214-Q217 HydrophobicContact CB-CB 4.2Å; K214-Q217 CarbonylContact O-C 3.45Å; K214-Q217 PolarHBondContact O-N 2.93Å; K214-Q217 VanDerWaalsContact O-N 3.08Å; L215-Q217 PolarHBondContact O-N 2.82Å; Q217-Q219 VanDerWaalsContact C-N 3.26Å; Q217-Q219 HydrophobicContact CB-CB 4.45Å; Q217-Q219 HydrophobicContact CB-CG 4.42Å; Q217-Q219 WeakPolarHBondContact O-CG 3.02Å; Q217-Q219 PolarHBondContact O-N 3.17Å
218D89.4Confident91.5Very high86 Ų8676.2 Ų76.246%0.4635%0.35SS..THydrogen-bonded Turntrans49.844.8-172.5-163.652.6000112.9K214 L215 M233K214-D218 PolarHBondContact O-N 3.09Å; L215-D218 PolarHBondContact O-N 2.85Å; D218-M233 PolarHBondContact O-N 3.2Å; D218-M233 WeakPolarHBondContact OD1-CB 3.4Å
219Q92.5Very high91.6Very high52 Ų5273.9 Ų73.924%0.24334%0.341CS..EExtended strand (participates in β ladder)trans-128.2136.2-175.9-76.4176.19.700112.8K214 Q217 V231 M233K214-Q219 HydrophobicContact CB-CB 4.32Å; K214-Q219 PolarHBondContact N-O 3.31Å; K214-Q219 PolarHBondContact O-N 2.9Å; K214-Q219 VanDerWaalsContact O-N 3.11Å; Q217-Q219 VanDerWaalsContact C-N 3.26Å; Q217-Q219 HydrophobicContact CB-CB 4.45Å; Q217-Q219 HydrophobicContact CB-CG 4.42Å; Q217-Q219 WeakPolarHBondContact O-CG 3.02Å; Q217-Q219 PolarHBondContact O-N 3.17Å; Q219-V231 CarbonylContact C-O 3.52Å; Q219-V231 WeakPolarHBondContact CA-O 3.46Å; Q219-M233 WeakPolarHBondContact O-CE 3.36Å
220L94Very high91.7Very high0 Ų079.6 Ų79.60%037%0.366CS..EExtended strand (participates in β ladder)trans-97.7120.5164.6173.359.2000109.2L211 F213 I222 V231 M233 I236 F255L211-L220 HydrophobicContact CB-CD1 4.26Å; L211-L220 HydrophobicContact CD2-CD1 4.3Å; F213-L220 HydrophobicContact CD1-CD1 3.88Å; F213-L220 HydrophobicContact CE1-CD1 3.61Å; F213-L220 HydrophobicContact CE2-CD1 4.33Å; F213-L220 HydrophobicContact CG-CD1 4.35Å; F213-L220 HydrophobicContact CZ-CD1 3.83Å; L220-I222 HydrophobicContact CD2-CG1 4.4Å; L220-I222 HydrophobicContact CG-CG1 4.18Å; L220-V231 HydrophobicContact CB-CB 4.45Å; L220-V231 PolarHBondContact N-O 3.49Å; L220-V231 WeakPolarHBondContact O-CA 3.49Å; L220-V231 WeakPolarHBondContact O-CB 3.07Å; L220-V231 PolarHBondContact O-N 2.95Å; L220-M233 HydrophobicContact CB-CG 4.48Å; L220-I236 HydrophobicContact CB-CD1 4.36Å; L220-I236 HydrophobicContact CD2-CD1 3.84Å; L220-F255 HydrophobicContact CD2-CD1 3.9Å; L220-F255 HydrophobicContact CD2-CD2 4.33Å; L220-F255 HydrophobicContact CD2-CE1 3.73Å; L220-F255 HydrophobicContact CD2-CE2 4.17Å; L220-F255 HydrophobicContact CD2-CG 4.19Å; L220-F255 HydrophobicContact CD2-CZ 3.86Å
221W94.6Very high91.7Very high60 Ų6074.4 Ų74.423%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-100.7123.4174.3-66.118.1000110.1L211 T212 T228 E229 K230L211-W221 WeakPolarHBondContact CA-O 3.41Å; T212-W221 PolarHBondContact N-O 2.94Å; T212-W221 PolarHBondContact O-N 2.92Å; W221-T228 HydrophobicContact CB-CG2 3.97Å; W221-T228 HydrophobicContact CD2-CG2 4.36Å; W221-T228 HydrophobicContact CE3-CG2 3.93Å; W221-T228 HydrophobicContact CG-CG2 4.42Å; W221-E229 CarbonylContact C-O 3.2Å; W221-E229 WeakPolarHBondContact CA-O 3.3Å; W221-K230 HydrophobicContact CD2-CD 4.31Å; W221-K230 HydrophobicContact CD2-CG 3.96Å; W221-K230 HydrophobicContact CG-CG 4.04Å; W221-K230 HydrophobicContact CH2-CD 4.42Å; W221-K230 HydrophobicContact CZ2-CD 3.75Å; W221-K230 VanDerWaalsContact CZ2-CE 3.42Å; W221-K230 HydrophobicContact CZ2-CG 4.32Å
222I94.9Very high91.6Very high2 Ų277.6 Ų77.61%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-103.896.1177.7-52.7178.9000107.9V209 L211 L220 T228 E229 V231 L257 Y265V209-I222 HydrophobicContact CG2-CG2 3.54Å; L211-I222 HydrophobicContact CD2-CB 4.36Å; L211-I222 HydrophobicContact CD2-CG1 3.92Å; L211-I222 HydrophobicContact CD2-CG2 4.2Å; L220-I222 HydrophobicContact CD2-CG1 4.4Å; L220-I222 HydrophobicContact CG-CG1 4.18Å; I222-T228 WeakPolarHBondContact O-CA 3.27Å; I222-E229 HydrophobicContact CB-CB 4.43Å; I222-E229 PolarHBondContact N-O 2.97Å; I222-E229 PolarHBondContact O-N 3.3Å; I222-V231 HydrophobicContact CD1-CG2 3.99Å; I222-V231 HydrophobicContact CG1-CG2 4.41Å; I222-L257 HydrophobicContact CD1-CD1 4.5Å; I222-Y265 HydrophobicContact CD1-CD1 4.03Å; I222-Y265 HydrophobicContact CD1-CD2 4.49Å; I222-Y265 HydrophobicContact CD1-CE1 4.35Å; I222-Y265 HydrophobicContact CD1-CG 4.11Å; I222-Y265 HydrophobicContact CG2-CD1 4.28Å; I222-Y265 HydrophobicContact CG2-CE1 3.56Å; I222-Y265 HydrophobicContact CG2-CE2 4.16Å; I222-Y265 VanDerWaalsContact CG2-CZ 3.48Å; I222-Y265 WeakPolarHBondContact CG2-OH 3.43Å
223G93.2Very high91.4Very high4 Ų476.8 Ų76.84%0.04136%0.363CS..EExtended strand (participates in β ladder)trans-88.4120.9-179.400000112.1V209 R210V209-G223 CarbonylContact C-O 3.55Å; V209-G223 WeakPolarHBondContact CA-O 3.39Å; V209-G223 WeakPolarHBondContact CG2-O 3.3Å; R210-G223 PolarHBondContact N-O 2.83Å; R210-G223 PolarHBondContact O-N 3.12Å
224T91.8Very high91.1Very high30 Ų3079.4 Ų79.418%0.18440%0.395CS..EExtended strand (participates in β ladder)trans-110.8172.116763.60000109.6V209 E226 R227V209-T224 HydrophobicContact CG2-CG2 4.3Å; T224-E226 PolarHBondContact O-N 2.84Å; T224-R227 PolarHBondContact N-O 3.19Å; T224-R227 PolarHBondContact OG1-N 2.96Å; T224-R227 PolarHBondContact OG1-O 3.48Å
225K87.9Confident91Very high212 Ų21277.6 Ų77.692%0.92239%0.393SS*.SBendtrans-56.9-34.2175.7-174178.3179-176.90112.5
226E87.9Confident91.1Very high169 Ų16973 Ų7379%0.7937%0.369SS*.SBendtrans-87.6-40.7-174.4-64.2170.5-175.900112.5T224T224-E226 PolarHBondContact O-N 2.84Å
227R90.3Very high91.1Very high143 Ų14370.3 Ų70.354%0.5435%0.354SS..  trans-154.5158.3-173.367.7-179-173.4-83.40.9112.6T224T224-R227 PolarHBondContact N-O 3.19Å; T224-R227 PolarHBondContact OG1-N 2.96Å; T224-R227 PolarHBondContact OG1-O 3.48Å
228T93.5Very high91Very high64 Ų6468.7 Ų68.739%0.39335%0.349SS..EExtended strand (participates in β ladder)trans-110.8119.2168.2-59.30000109.6W221 I222W221-T228 HydrophobicContact CB-CG2 3.97Å; W221-T228 HydrophobicContact CD2-CG2 4.36Å; W221-T228 HydrophobicContact CE3-CG2 3.93Å; W221-T228 HydrophobicContact CG-CG2 4.42Å; I222-T228 WeakPolarHBondContact O-CA 3.27Å
229E92.9Very high91.1Very high72 Ų7265 Ų6534%0.33633%0.33SS..EExtended strand (participates in β ladder)trans-93.2127.4176.6-170.3173.3153.700109.4W221 I222 V231W221-E229 CarbonylContact C-O 3.2Å; W221-E229 WeakPolarHBondContact CA-O 3.3Å; I222-E229 HydrophobicContact CB-CB 4.43Å; I222-E229 PolarHBondContact N-O 2.97Å; I222-E229 PolarHBondContact O-N 3.3Å; E229-V231 HydrophobicContact CG-CG2 4.2Å
230K95.3Very high91Very high124 Ų12464.5 Ų64.554%0.53933%0.33SS..EExtended strand (participates in β ladder)trans-101.5109.5179.4-57.2-177.4-175.9176.90108.5W221W221-K230 HydrophobicContact CD2-CD 4.31Å; W221-K230 HydrophobicContact CD2-CG 3.96Å; W221-K230 HydrophobicContact CG-CG 4.04Å; W221-K230 HydrophobicContact CH2-CD 4.42Å; W221-K230 HydrophobicContact CZ2-CD 3.75Å; W221-K230 VanDerWaalsContact CZ2-CE 3.42Å; W221-K230 HydrophobicContact CZ2-CG 4.32Å
231V93.8Very high90.8Very high7 Ų765.6 Ų65.64%0.04234%0.338CS..EExtended strand (participates in β ladder)trans-104.2119.3-178-178.90000108.4Q219 L220 I222 E229 M233 I236 L257Q219-V231 CarbonylContact C-O 3.52Å; Q219-V231 WeakPolarHBondContact CA-O 3.46Å; L220-V231 HydrophobicContact CB-CB 4.45Å; L220-V231 PolarHBondContact N-O 3.49Å; L220-V231 WeakPolarHBondContact O-CA 3.49Å; L220-V231 WeakPolarHBondContact O-CB 3.07Å; L220-V231 PolarHBondContact O-N 2.95Å; I222-V231 HydrophobicContact CD1-CG2 3.99Å; I222-V231 HydrophobicContact CG1-CG2 4.41Å; E229-V231 HydrophobicContact CG-CG2 4.2Å; V231-M233 PolarHBondContact O-N 2.87Å; V231-I236 HydrophobicContact CG1-CD1 3.81Å; V231-I236 HydrophobicContact CG1-CG1 3.65Å; V231-L257 HydrophobicContact CG1-CD2 3.64Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; V231-L257 HydrophobicContact CG2-CD2 4.2Å
232P91.9Very high90.5Very high68 Ų6865.4 Ų65.444%0.44234%0.34SS..EExtended strand (participates in β ladder)trans-61.4131.1169.4-2032.3000110.1G234 S235P232-G234 VanDerWaalsContact C-N 3.32Å; P232-G234 PolarHBondContact O-N 2.9Å; P232-S235 WeakPolarHBondContact O-CB 3.36Å; P232-S235 PolarHBondContact O-N 3.32Å; P232-S235 PolarHBondContact O-OG 3.35Å
233M88.1Confident90.2Very high3 Ų368.5 Ų68.52%0.01536%0.36CS..G310 helixtrans-61.4-42.1-176.1-67.6-173179.700111.5F213 L215 D218 Q219 L220 V231 S235 I236 T281F213-M233 HydrophobicContact CB-CE 4.22Å; F213-M233 HydrophobicContact CD1-CE 3.82Å; L215-M233 HydrophobicContact CD2-CE 4.08Å; D218-M233 PolarHBondContact O-N 3.2Å; D218-M233 WeakPolarHBondContact OD1-CB 3.4Å; Q219-M233 WeakPolarHBondContact O-CE 3.36Å; L220-M233 HydrophobicContact CB-CG 4.48Å; V231-M233 PolarHBondContact O-N 2.87Å; M233-S235 PolarHBondContact O-N 2.7Å; M233-I236 WeakPolarHBondContact O-CB 3.47Å; M233-I236 PolarHBondContact O-N 3.33Å; M233-T281 HydrophobicContact CE-CG2 3.9Å; M233-T281 HydrophobicContact SD-CG2 3.79Å
234G86.8Confident90Very high73 Ų7368.5 Ų68.575%0.75336%0.359SS*.G310 helixtrans-60.7-12.8173.600000116P232P232-G234 VanDerWaalsContact C-N 3.32Å; P232-G234 PolarHBondContact O-N 2.9Å
235S88.1Confident89.5Confident49 Ų4971.4 Ų71.434%0.34337%0.37SS..G310 helixtrans-83.1-16.9173.674.60000113.4P232 M233 K237P232-S235 WeakPolarHBondContact O-CB 3.36Å; P232-S235 PolarHBondContact O-N 3.32Å; P232-S235 PolarHBondContact O-OG 3.35Å; M233-S235 PolarHBondContact O-N 2.7Å; S235-K237 PolarHBondContact O-N 3.39Å
236I90.8Very high89.2Confident8 Ų864.5 Ų64.54%0.04136%0.36CS..  trans-81.9108.6-177.9-56.6172.1000108.2L220 V231 M233 N238 V239 F255 L257 V282L220-I236 HydrophobicContact CB-CD1 4.36Å; L220-I236 HydrophobicContact CD2-CD1 3.84Å; V231-I236 HydrophobicContact CG1-CD1 3.81Å; V231-I236 HydrophobicContact CG1-CG1 3.65Å; M233-I236 WeakPolarHBondContact O-CB 3.47Å; M233-I236 PolarHBondContact O-N 3.33Å; I236-N238 WeakPolarHBondContact CG2-O 3.45Å; I236-V239 HydrophobicContact CG2-CG2 3.98Å; I236-F255 HydrophobicContact CD1-CD1 4.21Å; I236-F255 HydrophobicContact CG2-CB 4.29Å; I236-F255 HydrophobicContact CG2-CD1 4.36Å; I236-L257 HydrophobicContact CG1-CD2 4.01Å; I236-V282 HydrophobicContact CB-CG1 3.58Å; I236-V282 HydrophobicContact CD1-CG1 3.49Å; I236-V282 VanDerWaalsContact CD1-CG1 3.49Å; I236-V282 HydrophobicContact CD1-CG2 4.41Å; I236-V282 HydrophobicContact CG1-CG1 4.09Å; I236-V282 HydrophobicContact CG2-CG1 3.55Å
237K86.5Confident89Confident141 Ų14159.9 Ų59.961%0.61334%0.338SS*.  trans-76.8-27-174.2-62.7-173.2178.2-173.90113.8S235 Q256S235-K237 PolarHBondContact O-N 3.39Å; K237-Q256 HydrophobicContact CB-CG 4.14Å; K237-Q256 PolarHBondContact N-O 3.39Å; K237-Q256 VanDerWaalsContact N-O 3.17Å
238N88Confident88.7Confident76 Ų7657.9 Ų57.941%0.40634%0.338SS..  trans-159.9151.5-174-167.414.8000110.6I236 Q256I236-N238 WeakPolarHBondContact CG2-O 3.45Å; N238-Q256 HydrophobicContact CB-CB 3.84Å; N238-Q256 HydrophobicContact CB-CG 4.3Å; N238-Q256 VanDerWaalsContact O-CB 3.23Å; N238-Q256 WeakPolarHBondContact O-CB 3.45Å; N238-Q256 PolarHBondContact O-N 3.11Å
239V90.2Very high88.4Confident7 Ų756.9 Ų56.94%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-128.1110.7172.6-177.40000109I236 M253 A254 F255 K279 V282 L283I236-V239 HydrophobicContact CG2-CG2 3.98Å; V239-M253 HydrophobicContact CG1-CG 3.67Å; V239-M253 HydrophobicContact CG1-SD 3.75Å; V239-A254 VanDerWaalsContact CA-O 3.31Å; V239-A254 WeakPolarHBondContact CA-O 3.12Å; V239-F255 HydrophobicContact CG1-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CE1 4.29Å; V239-F255 HydrophobicContact CG2-CD1 3.9Å; V239-F255 HydrophobicContact CG2-CE1 4.26Å; V239-K279 HydrophobicContact CB-CG 4.21Å; V239-K279 HydrophobicContact CG1-CG 3.98Å; V239-V282 HydrophobicContact CG2-CB 4.17Å; V239-V282 HydrophobicContact CG2-CG1 3.69Å; V239-L283 HydrophobicContact CB-CD1 4.28Å; V239-L283 HydrophobicContact CG2-CD1 4.34Å; V239-L283 HydrophobicContact CG2-CD2 4.2Å; V239-L283 HydrophobicContact CG2-CG 4.13Å
240V90.3Very high88.3Confident42 Ų4253.4 Ų53.426%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-93.6136.8176.2-179.40000108.3M253 A254 W266V240-M253 CarbonylContact O-C 3.53Å; V240-M253 WeakPolarHBondContact O-CA 3.44Å; V240-M253 WeakPolarHBondContact O-CG 3.32Å; V240-A254 HydrophobicContact CB-CB 4.35Å; V240-A254 PolarHBondContact N-O 2.98Å; V240-A254 PolarHBondContact O-N 3.14Å; V240-W266 HydrophobicContact CG1-CH2 4.47Å
241S90.3Very high88.1Confident24 Ų2449.2 Ų49.217%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-140.5142.9170.570.20000112M252 V275 K279S241-M252 CarbonylContact C-O 3.58Å; S241-M252 WeakPolarHBondContact CA-O 3.31Å; S241-V275 VanDerWaalsContact OG-CG1 3.3Å; S241-V275 WeakPolarHBondContact OG-CG1 3.16Å; S241-K279 WeakPolarHBondContact OG-CE 3.38Å; S241-K279 PolarHBondContact OG-NZ 3.15Å
242E89.1Confident88Confident55 Ų5548.9 Ų48.926%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-137.5142.7175.7-70.4-159.6165.700110.5L164 H251 M252L164-E242 VanDerWaalsContact CB-OE2 3.3Å; L164-E242 WeakPolarHBondContact CB-OE2 3.01Å; L164-E242 HydrophobicContact CD1-CG 4.32Å; L164-E242 WeakPolarHBondContact CD1-OE1 3.45Å; L164-E242 WeakPolarHBondContact CD1-OE2 3.19Å; L164-E242 PolarHBondContact N-OE2 3.13Å; E242-H251 CarbonylContact O-C 3.54Å; E242-H251 WeakPolarHBondContact O-CA 3.05Å; E242-H251 WeakPolarHBondContact O-CB 3.37Å; E242-M252 HydrophobicContact CB-CG 4.04Å; E242-M252 PolarHBondContact N-O 3.15Å; E242-M252 WeakPolarHBondContact O-CG 3.47Å; E242-M252 PolarHBondContact O-N 3.34Å
243P87.9Confident88.1Confident68 Ų6845.7 Ų45.744%0.44227%0.273SS..EExtended strand (participates in β ladder)trans-66149174.229-34000110.9
244I88.4Confident88.4Confident4 Ų445.6 Ų45.62%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-84.1129.5177.5-63173.3000108.9L174 G246 H247 Y250 M252 W269L174-I244 HydrophobicContact CD1-CG2 4.08Å; L174-I244 HydrophobicContact CD2-CD1 3.76Å; L174-I244 HydrophobicContact CD2-CG1 4.11Å; L174-I244 HydrophobicContact CD2-CG2 3.86Å; I244-G246 PolarHBondContact O-N 3.22Å; I244-H247 HydrophobicContact CB-CB 4.12Å; I244-H247 HydrophobicContact CG2-CB 4.06Å; I244-H247 CarbonylContact O-C 3.12Å; I244-H247 WeakPolarHBondContact O-CA 3.25Å; I244-H247 PolarHBondContact O-N 3.08Å; I244-Y250 PolarHBondContact N-O 3.26Å; I244-M252 HydrophobicContact CG1-CE 4.37Å; I244-W269 HydrophobicContact CD1-CD2 3.91Å; I244-W269 HydrophobicContact CD1-CE3 3.82Å; I244-W269 HydrophobicContact CD1-CG 4.36Å; I244-W269 HydrophobicContact CD1-CZ3 4.23Å; I244-W269 HydrophobicContact CG2-CH2 4.43Å
245E81.2Confident88.7Confident90 Ų9042.1 Ų42.142%0.42124%0.237SC..THydrogen-bonded Turntrans-59.6121.3178.6-171.2172.6-149.600110.3R166 R171 H247R166-E245 IonicContact CZ-OE1 3.44Å; R166-E245 IonicContact NE-OE1 3.92Å; R166-E245 PolarHBondContact NE-OE1 2.82Å; R166-E245 IonicContact NE-OE2 3.29Å; R166-E245 IonicContact NH2-OE1 3.6Å; R166-E245 PolarHBondContact NH2-OE1 3.09Å; R171-E245 IonicContact CZ-OE2 3.81Å; R171-E245 IonicContact NH1-OE2 2.7Å; R171-E245 PolarHBondContact NH1-OE2 2.9Å; R171-E245 IonicContact NH2-OE2 3.06Å; E245-H247 VanDerWaalsContact C-N 3.3Å
246G82.3Confident88.9Confident68 Ų6840.5 Ų40.570%0.70122%0.224SC*.THydrogen-bonded Turntrans85.1-5.5-175.500000115.1I244I244-G246 PolarHBondContact O-N 3.22Å
247H84.6Confident88.8Confident71 Ų7142.3 Ų42.333%0.32923%0.234SC..EExtended strand (participates in β ladder)trans-138.668.1178.9-66.7-74.4000110.5I244 E245 D249 Y250 W269I244-H247 HydrophobicContact CB-CB 4.12Å; I244-H247 HydrophobicContact CG2-CB 4.06Å; I244-H247 CarbonylContact O-C 3.12Å; I244-H247 WeakPolarHBondContact O-CA 3.25Å; I244-H247 PolarHBondContact O-N 3.08Å; E245-H247 VanDerWaalsContact C-N 3.3Å; H247-D249 PolarHBondContact O-N 2.94Å; H247-D249 VanDerWaalsContact O-N 3.09Å; H247-Y250 HydrophobicContact CB-CD2 4.45Å; H247-Y250 PolarHBondContact O-N 3.37Å; H247-W269 HydrophobicContact CB-CH2 4.47Å; H247-W269 HydrophobicContact CB-CZ3 3.86Å; H247-W269 AromaticContact CD2-CH2 3.42Å; H247-W269 VanDerWaalsContact CD2-CH2 3.42Å; H247-W269 WeakPolarHBondContact CD2-CH2 3.17Å; H247-W269 AromaticContact CD2-CZ3 3.64Å; H247-W269 AromaticContact CG-CH2 3.88Å; H247-W269 AromaticContact CG-CZ3 3.58Å; H247-W269 AromaticContact NE2-CH2 3.72Å
248D83.1Confident88.8Confident102 Ų10236.1 Ų36.155%0.54521%0.21SC..EExtended strand (participates in β ladder)trans-62.9-16.4-178.5-54.7-23.5000113.5
249D87.3Confident88.5Confident42 Ų4237.8 Ų37.823%0.22523%0.225CC..EExtended strand (participates in β ladder)trans-77.7-9.5174.560.4-32.3000112.6A185 H247 A272A185-D249 HydrophobicContact CB-CB 3.75Å; A185-D249 WeakPolarHBondContact CB-O 3.46Å; H247-D249 PolarHBondContact O-N 2.94Å; H247-D249 VanDerWaalsContact O-N 3.09Å; D249-A272 VanDerWaalsContact O-CB 3.27Å; D249-A272 WeakPolarHBondContact O-CB 3.24Å; D249-A272 PolarHBondContact O-N 3.38Å
250Y90.8Very high88.2Confident0 Ų041.1 Ų41.10%025%0.246CC..EExtended strand (participates in β ladder)trans-128.7147.9177.9-66.5-82.9000112.7K178 I182 M183 A185 I244 H247 W269 V270 P271K178-Y250 HydrophobicContact CD-CE2 4.17Å; K178-Y250 VanDerWaalsContact CE-CE2 3.49Å; K178-Y250 VanDerWaalsContact CE-CZ 3.48Å; K178-Y250 WeakPolarHBondContact CE-OH 3.14Å; K178-Y250 VanDerWaalsContact NZ-CE2 3.33Å; K178-Y250 PolarHBondContact NZ-OH 3.08Å; I182-Y250 HydrophobicContact CG1-CD1 4.49Å; I182-Y250 HydrophobicContact CG1-CE1 3.77Å; I182-Y250 HydrophobicContact CG2-CE1 4.22Å; M183-Y250 PolarHBondContact O-OH 3.38Å; M183-Y250 VanDerWaalsContact O-OH 3.11Å; A185-Y250 HydrophobicContact CB-CD1 4.32Å; A185-Y250 HydrophobicContact CB-CD2 4.38Å; A185-Y250 HydrophobicContact CB-CE1 3.85Å; A185-Y250 HydrophobicContact CB-CE2 3.89Å; A185-Y250 PolarHBondContact N-OH 2.88Å; I244-Y250 PolarHBondContact N-O 3.26Å; H247-Y250 HydrophobicContact CB-CD2 4.45Å; H247-Y250 PolarHBondContact O-N 3.37Å; Y250-W269 HydrophobicContact CD1-CB 4.39Å; Y250-W269 HydrophobicContact CD1-CE3 4.41Å; Y250-W269 WeakPolarHBondContact CD1-O 3.31Å; Y250-W269 HydrophobicContact CD2-CE3 4.09Å; Y250-W269 HydrophobicContact CD2-CZ3 4.33Å; Y250-W269 AromaticContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CZ3 4.48Å; Y250-V270 CarbonylContact C-O 3.59Å; Y250-V270 WeakPolarHBondContact CA-O 3.26Å; Y250-P271 HydrophobicContact CE1-CB 4.37Å; Y250-P271 HydrophobicContact CE1-CG 4.2Å
251H91.8Very high87.8Confident36 Ų3645.9 Ų45.917%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-119.1152.7176.9-74-118.9000110.9E242 W269 V270 V275E242-H251 CarbonylContact O-C 3.54Å; E242-H251 WeakPolarHBondContact O-CA 3.05Å; E242-H251 WeakPolarHBondContact O-CB 3.37Å; H251-W269 PolarHBondContact O-N 3.31Å; H251-V270 PolarHBondContact N-O 2.79Å; H251-V270 WeakPolarHBondContact O-CB 3.16Å; H251-V270 PolarHBondContact O-N 2.89Å; H251-V275 HydrophobicContact CB-CG2 3.83Å
252M91.8Very high87.3Confident0 Ų049.4 Ų49.40%030%0.296CS..EExtended strand (participates in β ladder)trans-89.7144.915358.5-179.167.300109.4L164 C165 H170 L174 S241 E242 I244 W266 V267 Y268L164-M252 HydrophobicContact CB-SD 3.86Å; C165-M252 HydrophobicContact CB-CE 3.56Å; H170-M252 HydrophobicContact CB-CE 4.28Å; H170-M252 HydrophobicContact CB-SD 4.46Å; L174-M252 HydrophobicContact CD1-CE 3.62Å; L174-M252 HydrophobicContact CD2-CE 4.46Å; L174-M252 HydrophobicContact CG-CE 4.36Å; S241-M252 CarbonylContact C-O 3.58Å; S241-M252 WeakPolarHBondContact CA-O 3.31Å; E242-M252 HydrophobicContact CB-CG 4.04Å; E242-M252 PolarHBondContact N-O 3.15Å; E242-M252 WeakPolarHBondContact O-CG 3.47Å; E242-M252 PolarHBondContact O-N 3.34Å; I244-M252 HydrophobicContact CG1-CE 4.37Å; M252-W266 HydrophobicContact CB-CZ3 4.46Å; M252-W266 HydrophobicContact CG-CZ3 4.31Å; M252-W266 HydrophobicContact SD-CZ3 4.36Å; M252-V267 WeakPolarHBondContact CA-O 3.5Å; M252-Y268 HydrophobicContact CB-CD1 3.93Å; M252-Y268 HydrophobicContact CB-CE1 4.39Å; M252-Y268 HydrophobicContact CE-CD1 4.3Å; M252-Y268 HydrophobicContact CE-CE1 4.37Å
253M93.6Very high87.2Confident0 Ų049 Ų490%030%0.299CS..EExtended strand (participates in β ladder)trans-141.3142.8-176.2-171.717250.900110.3L211 V239 V240 F255 V267 V270 I278L211-M253 HydrophobicContact CD1-CE 4.38Å; V239-M253 HydrophobicContact CG1-CG 3.67Å; V239-M253 HydrophobicContact CG1-SD 3.75Å; V240-M253 CarbonylContact O-C 3.53Å; V240-M253 WeakPolarHBondContact O-CA 3.44Å; V240-M253 WeakPolarHBondContact O-CG 3.32Å; M253-F255 HydrophobicContact CE-CE1 4.29Å; M253-F255 HydrophobicContact CE-CE2 3.88Å; M253-F255 HydrophobicContact CE-CZ 3.43Å; M253-F255 VanDerWaalsContact CE-CZ 3.43Å; M253-F255 HydrophobicContact SD-CE1 4.41Å; M253-F255 HydrophobicContact SD-CZ 4.1Å; M253-V267 PolarHBondContact N-O 3.33Å; M253-V267 PolarHBondContact O-N 3.01Å; M253-V267 VanDerWaalsContact O-O 3.08Å; M253-V270 HydrophobicContact CB-CG2 3.96Å; M253-V270 HydrophobicContact CE-CB 4.35Å; M253-V270 HydrophobicContact CE-CG1 3.8Å; M253-V270 HydrophobicContact CE-CG2 3.76Å; M253-I278 HydrophobicContact CE-CD1 3.59Å; M253-I278 HydrophobicContact CE-CG2 3.95Å; M253-I278 HydrophobicContact SD-CB 4.26Å; M253-I278 HydrophobicContact SD-CD1 4.25Å; M253-I278 HydrophobicContact SD-CG2 3.75Å
254A93.3Very high87.4Confident1 Ų147.5 Ų47.51%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-125.1132.1176.400000111.4V239 V240 Q264 Y265 W266V239-A254 VanDerWaalsContact CA-O 3.31Å; V239-A254 WeakPolarHBondContact CA-O 3.12Å; V240-A254 HydrophobicContact CB-CB 4.35Å; V240-A254 PolarHBondContact N-O 2.98Å; V240-A254 PolarHBondContact O-N 3.14Å; A254-Q264 HydrophobicContact CB-CB 4.09Å; A254-Q264 HydrophobicContact CB-CG 4.26Å; A254-Y265 VanDerWaalsContact CA-O 3.3Å; A254-Y265 WeakPolarHBondContact CA-O 3.5Å; A254-W266 HydrophobicContact CB-CD2 3.7Å; A254-W266 HydrophobicContact CB-CE3 3.72Å; A254-W266 HydrophobicContact CB-CG 4.38Å; A254-W266 HydrophobicContact CB-CH2 3.52Å; A254-W266 HydrophobicContact CB-CZ2 3.59Å; A254-W266 HydrophobicContact CB-CZ3 3.64Å
255F93.9Very high87.6Confident0 Ų049 Ų490%029%0.292CS..EExtended strand (participates in β ladder)trans-96.7122.5170-58-80.1000109.7L211 L220 I236 V239 M253 L257 Q264 Y265 V267 I278 V282L211-F255 HydrophobicContact CD1-CE2 3.97Å; L211-F255 HydrophobicContact CD1-CZ 4.06Å; L211-F255 HydrophobicContact CD2-CE2 4.38Å; L220-F255 HydrophobicContact CD2-CD1 3.9Å; L220-F255 HydrophobicContact CD2-CD2 4.33Å; L220-F255 HydrophobicContact CD2-CE1 3.73Å; L220-F255 HydrophobicContact CD2-CE2 4.17Å; L220-F255 HydrophobicContact CD2-CG 4.19Å; L220-F255 HydrophobicContact CD2-CZ 3.86Å; I236-F255 HydrophobicContact CD1-CD1 4.21Å; I236-F255 HydrophobicContact CG2-CB 4.29Å; I236-F255 HydrophobicContact CG2-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CD1 4.36Å; V239-F255 HydrophobicContact CG1-CE1 4.29Å; V239-F255 HydrophobicContact CG2-CD1 3.9Å; V239-F255 HydrophobicContact CG2-CE1 4.26Å; M253-F255 HydrophobicContact CE-CE1 4.29Å; M253-F255 HydrophobicContact CE-CE2 3.88Å; M253-F255 HydrophobicContact CE-CZ 3.43Å; M253-F255 VanDerWaalsContact CE-CZ 3.43Å; M253-F255 HydrophobicContact SD-CE1 4.41Å; M253-F255 HydrophobicContact SD-CZ 4.1Å; F255-L257 HydrophobicContact CB-CD2 3.89Å; F255-L257 HydrophobicContact CB-CG 4.46Å; F255-L257 PolarHBondContact O-N 3.11Å; F255-L257 VanDerWaalsContact O-N 3.12Å; F255-Q264 WeakPolarHBondContact O-CA 3.11Å; F255-Y265 PolarHBondContact N-O 3.31Å; F255-Y265 PolarHBondContact O-N 2.85Å; F255-V267 HydrophobicContact CD2-CG2 4.26Å; F255-V267 HydrophobicContact CE2-CG2 3.93Å; F255-I278 HydrophobicContact CE1-CG2 3.74Å; F255-I278 HydrophobicContact CZ-CG2 3.9Å; F255-V282 HydrophobicContact CE1-CG2 4.3Å
256Q91.6Very high88.2Confident15 Ų1545.7 Ų45.77%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-80.889.7178.2-175.960.16400110.3K237 N238 G258 T260K237-Q256 HydrophobicContact CB-CG 4.14Å; K237-Q256 PolarHBondContact N-O 3.39Å; K237-Q256 VanDerWaalsContact N-O 3.17Å; N238-Q256 HydrophobicContact CB-CB 3.84Å; N238-Q256 HydrophobicContact CB-CG 4.3Å; N238-Q256 VanDerWaalsContact O-CB 3.23Å; N238-Q256 WeakPolarHBondContact O-CB 3.45Å; N238-Q256 PolarHBondContact O-N 3.11Å; Q256-G258 PolarHBondContact NE2-O 3.23Å; Q256-T260 VanDerWaalsContact NE2-C 3.35Å; Q256-T260 PolarHBondContact NE2-O 3.38Å
257L89.6Confident88.8Confident47 Ų4742.5 Ų42.525%0.24624%0.242CC..  trans-83.3-10.9-175-55.5-171.9000114.1I222 V231 I236 F255 S263 Y265I222-L257 HydrophobicContact CD1-CD1 4.5Å; V231-L257 HydrophobicContact CG1-CD2 3.64Å; V231-L257 HydrophobicContact CG2-CD1 4.29Å; V231-L257 HydrophobicContact CG2-CD2 4.2Å; I236-L257 HydrophobicContact CG1-CD2 4.01Å; F255-L257 HydrophobicContact CB-CD2 3.89Å; F255-L257 HydrophobicContact CB-CG 4.46Å; F255-L257 PolarHBondContact O-N 3.11Å; F255-L257 VanDerWaalsContact O-N 3.12Å; L257-S263 PolarHBondContact N-O 2.63Å; L257-Y265 HydrophobicContact CD1-CD2 4.44Å; L257-Y265 HydrophobicContact CD1-CG 4.39Å
258G87.1Confident89.1Confident11 Ų1139.2 Ų39.211%0.11323%0.227CC..SBendtrans-136.2-175.3-178.500000113.1Q256 T260Q256-G258 PolarHBondContact NE2-O 3.23Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.42Å
259P80.7Confident89.6Confident110 Ų11034.6 Ų34.671%0.71420%0.202SC*.SBendtrans-73.7-19.5-178.728.9-33.5000114.1
260T84.8Confident89.8Confident78 Ų7832.6 Ų32.648%0.47919%0.191SC..SBendtrans-118.1149.9-173.255.70000112.1Q256 G258 A262 S263Q256-T260 VanDerWaalsContact NE2-C 3.35Å; Q256-T260 PolarHBondContact NE2-O 3.38Å; G258-T260 VanDerWaalsContact C-N 3.31Å; G258-T260 PolarHBondContact O-N 3.42Å; T260-A262 PolarHBondContact O-N 3.44Å; T260-S263 VanDerWaalsContact O-CB 3.31Å; T260-S263 WeakPolarHBondContact O-CB 3.45Å; T260-S263 PolarHBondContact O-N 3.02Å; T260-S263 PolarHBondContact O-OG 3.3Å; T260-S263 PolarHBondContact OG1-OG 3.43Å
261E79.9Confident89.9Confident141 Ų14132.7 Ų32.766%0.65919%0.192SC*.G310 helixtrans-54.2-28.2177.4-65.9178-179.700113.8S263 Q264E261-S263 PolarHBondContact O-N 3.42Å; E261-S263 VanDerWaalsContact O-N 3.15Å; E261-Q264 VanDerWaalsContact O-CB 3.27Å; E261-Q264 WeakPolarHBondContact O-CB 3.12Å; E261-Q264 WeakPolarHBondContact O-CG 3.49Å; E261-Q264 PolarHBondContact O-N 2.77Å; E261-Q264 VanDerWaalsContact O-N 3.1Å
262A80.7Confident89.8Confident99 Ų9932.1 Ų32.182%0.81819%0.193SC*.G310 helixtrans-63.1-18.9174.700000114T260 Q264T260-A262 PolarHBondContact O-N 3.44Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 2.98Å
263S87.9Confident89.7Confident45 Ų4532.3 Ų32.332%0.31519%0.194SC..G310 helixtrans-88.612.6177-47.50000112.9L257 T260 E261 Y265L257-S263 PolarHBondContact N-O 2.63Å; T260-S263 VanDerWaalsContact O-CB 3.31Å; T260-S263 WeakPolarHBondContact O-CB 3.45Å; T260-S263 PolarHBondContact O-N 3.02Å; T260-S263 PolarHBondContact O-OG 3.3Å; T260-S263 PolarHBondContact OG1-OG 3.43Å; E261-S263 PolarHBondContact O-N 3.42Å; E261-S263 VanDerWaalsContact O-N 3.15Å; S263-Y265 PolarHBondContact O-N 2.79Å
264Q91.4Very high89.6Confident37 Ų3732.6 Ų32.617%0.17320%0.195CC..EExtended strand (participates in β ladder)trans-71.1126.4175.1-76.4172.3-1.900111.2A254 F255 E261 A262 W266A254-Q264 HydrophobicContact CB-CB 4.09Å; A254-Q264 HydrophobicContact CB-CG 4.26Å; F255-Q264 WeakPolarHBondContact O-CA 3.11Å; E261-Q264 VanDerWaalsContact O-CB 3.27Å; E261-Q264 WeakPolarHBondContact O-CB 3.12Å; E261-Q264 WeakPolarHBondContact O-CG 3.49Å; E261-Q264 PolarHBondContact O-N 2.77Å; E261-Q264 VanDerWaalsContact O-N 3.1Å; A262-Q264 VanDerWaalsContact C-N 3.25Å; A262-Q264 PolarHBondContact O-N 2.98Å; Q264-W266 VanDerWaalsContact OE1-CZ2 3.29Å
265Y93.1Very high89.5Confident37 Ų3732.7 Ų32.715%0.14520%0.196CC..EExtended strand (participates in β ladder)trans-90.9108.1168.6-167.5-79.6000109.6V209 I222 A254 F255 L257 S263 V267V209-Y265 HydrophobicContact CG2-CE1 4.39Å; I222-Y265 HydrophobicContact CD1-CD1 4.03Å; I222-Y265 HydrophobicContact CD1-CD2 4.49Å; I222-Y265 HydrophobicContact CD1-CE1 4.35Å; I222-Y265 HydrophobicContact CD1-CG 4.11Å; I222-Y265 HydrophobicContact CG2-CD1 4.28Å; I222-Y265 HydrophobicContact CG2-CE1 3.56Å; I222-Y265 HydrophobicContact CG2-CE2 4.16Å; I222-Y265 VanDerWaalsContact CG2-CZ 3.48Å; I222-Y265 WeakPolarHBondContact CG2-OH 3.43Å; A254-Y265 VanDerWaalsContact CA-O 3.3Å; A254-Y265 WeakPolarHBondContact CA-O 3.5Å; F255-Y265 PolarHBondContact N-O 3.31Å; F255-Y265 PolarHBondContact O-N 2.85Å; L257-Y265 HydrophobicContact CD1-CD2 4.44Å; L257-Y265 HydrophobicContact CD1-CG 4.39Å; S263-Y265 PolarHBondContact O-N 2.79Å; Y265-V267 HydrophobicContact CD1-CG2 3.81Å; Y265-V267 HydrophobicContact CE1-CG2 3.8Å
266W93.1Very high89.2Confident20 Ų2035.5 Ų35.58%0.07621%0.211CC..EExtended strand (participates in β ladder)trans-84.5130.5-179.9-74.293.9000112.6L164 H170 N203 V240 M252 A254 Q264 Y268L164-W266 HydrophobicContact CD2-CH2 3.12Å; L164-W266 HydrophobicContact CD2-CZ2 3.49Å; L164-W266 VanDerWaalsContact CD2-CZ2 3.49Å; L164-W266 HydrophobicContact CD2-CZ3 4.02Å; H170-W266 AromaticContact CE1-CD2 3.44Å; H170-W266 VanDerWaalsContact CE1-CD2 3.44Å; H170-W266 AromaticContact CE1-CE2 3.42Å; H170-W266 VanDerWaalsContact CE1-CE2 3.42Å; H170-W266 AromaticContact CE1-CE3 3.85Å; H170-W266 AromaticContact CE1-CG 3.9Å; H170-W266 AromaticContact CE1-CZ2 3.88Å; H170-W266 AromaticContact CE1-NE1 3.75Å; H170-W266 AromaticContact NE2-CE2 4Å; N203-W266 WeakPolarHBondContact CA-O 3.44Å; V240-W266 HydrophobicContact CG1-CH2 4.47Å; M252-W266 HydrophobicContact CB-CZ3 4.46Å; M252-W266 HydrophobicContact CG-CZ3 4.31Å; M252-W266 HydrophobicContact SD-CZ3 4.36Å; A254-W266 HydrophobicContact CB-CD2 3.7Å; A254-W266 HydrophobicContact CB-CE3 3.72Å; A254-W266 HydrophobicContact CB-CG 4.38Å; A254-W266 HydrophobicContact CB-CH2 3.52Å; A254-W266 HydrophobicContact CB-CZ2 3.59Å; A254-W266 HydrophobicContact CB-CZ3 3.64Å; Q264-W266 VanDerWaalsContact OE1-CZ2 3.29Å; W266-Y268 HydrophobicContact CB-CE2 3.85Å
267V94.1Very high89.1Confident0 Ų035.4 Ų35.40%021%0.213CC..EExtended strand (participates in β ladder)trans-122.5132.1171.7-174.10000108.7M201 F202 V209 L211 M252 M253 F255 Y265 V270M201-V267 HydrophobicContact CB-CG1 3.67Å; M201-V267 HydrophobicContact CE-CG1 4.47Å; M201-V267 HydrophobicContact CG-CG1 4.05Å; M201-V267 HydrophobicContact SD-CG1 3.56Å; M201-V267 VanDerWaalsContact SD-CG1 3.56Å; F202-V267 CarbonylContact O-C 3.53Å; F202-V267 VanDerWaalsContact O-CA 3.31Å; F202-V267 WeakPolarHBondContact O-CA 3.01Å; V209-V267 HydrophobicContact CG1-CG1 3.9Å; L211-V267 HydrophobicContact CD1-CG1 4.33Å; L211-V267 HydrophobicContact CD1-CG2 4.43Å; L211-V267 HydrophobicContact CD2-CG2 4.4Å; M252-V267 WeakPolarHBondContact CA-O 3.5Å; M253-V267 PolarHBondContact N-O 3.33Å; M253-V267 PolarHBondContact O-N 3.01Å; M253-V267 VanDerWaalsContact O-O 3.08Å; F255-V267 HydrophobicContact CD2-CG2 4.26Å; F255-V267 HydrophobicContact CE2-CG2 3.93Å; Y265-V267 HydrophobicContact CD1-CG2 3.81Å; Y265-V267 HydrophobicContact CE1-CG2 3.8Å; V267-V270 HydrophobicContact CB-CG2 4.21Å; V267-V270 HydrophobicContact CG1-CG2 3.77Å
268Y92.6Very high89.2Confident3 Ų333.2 Ų33.21%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-114.3157.3-179.5-54.3-97.1000110.4H170 V173 L174 M201 F202 M252 W266 V270H170-Y268 HydrophobicContact CB-CE1 3.96Å; H170-Y268 AromaticContact ND1-CE1 3.52Å; H170-Y268 AromaticContact ND1-CZ 3.51Å; H170-Y268 PolarHBondContact ND1-OH 3.11Å; V173-Y268 HydrophobicContact CB-CD2 4.31Å; V173-Y268 HydrophobicContact CB-CE1 4.45Å; V173-Y268 HydrophobicContact CB-CE2 4.2Å; V173-Y268 HydrophobicContact CB-CG 4.49Å; V173-Y268 HydrophobicContact CG1-CD2 3.72Å; V173-Y268 HydrophobicContact CG1-CE2 4.04Å; V173-Y268 HydrophobicContact CG1-CG 3.98Å; V173-Y268 HydrophobicContact CG2-CE2 4.16Å; L174-Y268 HydrophobicContact CD2-CD1 4.15Å; L174-Y268 HydrophobicContact CG-CD1 4.49Å; M201-Y268 WeakPolarHBondContact CB-O 3.34Å; F202-Y268 HydrophobicContact CB-CD2 4.48Å; F202-Y268 PolarHBondContact N-O 2.8Å; F202-Y268 WeakPolarHBondContact O-CD2 3.47Å; F202-Y268 PolarHBondContact O-N 2.78Å; M252-Y268 HydrophobicContact CB-CD1 3.93Å; M252-Y268 HydrophobicContact CB-CE1 4.39Å; M252-Y268 HydrophobicContact CE-CD1 4.3Å; M252-Y268 HydrophobicContact CE-CE1 4.37Å; W266-Y268 HydrophobicContact CB-CE2 3.85Å; Y268-V270 VanDerWaalsContact C-N 3.35Å
269W92.6Very high89.4Confident4 Ų435.5 Ų35.52%0.01521%0.208CC..EExtended strand (participates in β ladder)trans64.236.8-179.8-55.9104.4000113.4L174 G177 K178 P179 I182 F202 I244 H247 Y250 H251 P271L174-W269 HydrophobicContact CD2-CZ2 4.1Å; G177-W269 VanDerWaalsContact C-CZ2 3.47Å; G177-W269 PolarHBondContact O-NE1 3.45Å; K178-W269 HydrophobicContact CB-CE3 4.24Å; K178-W269 HydrophobicContact CB-CH2 3.93Å; K178-W269 HydrophobicContact CB-CZ2 4.28Å; K178-W269 HydrophobicContact CB-CZ3 3.91Å; K178-W269 HydrophobicContact CG-CE3 4.14Å; K178-W269 HydrophobicContact CG-CZ3 4.17Å; P179-W269 VanDerWaalsContact CD-CD1 3.42Å; P179-W269 VanDerWaalsContact CD-CG 3.42Å; P179-W269 HydrophobicContact CG-CB 4.13Å; P179-W269 HydrophobicContact CG-CG 3.96Å; I182-W269 HydrophobicContact CD1-CB 4.15Å; I182-W269 WeakPolarHBondContact CD1-O 3.33Å; I182-W269 HydrophobicContact CG1-CB 4.28Å; I182-W269 WeakPolarHBondContact CG1-O 3.49Å; F202-W269 AromaticContact CD2-CD1 3.73Å; F202-W269 AromaticContact CD2-NE1 3.88Å; I244-W269 HydrophobicContact CD1-CD2 3.91Å; I244-W269 HydrophobicContact CD1-CE3 3.82Å; I244-W269 HydrophobicContact CD1-CG 4.36Å; I244-W269 HydrophobicContact CD1-CZ3 4.23Å; I244-W269 HydrophobicContact CG2-CH2 4.43Å; H247-W269 HydrophobicContact CB-CH2 4.47Å; H247-W269 HydrophobicContact CB-CZ3 3.86Å; H247-W269 AromaticContact CD2-CH2 3.42Å; H247-W269 VanDerWaalsContact CD2-CH2 3.42Å; H247-W269 WeakPolarHBondContact CD2-CH2 3.17Å; H247-W269 AromaticContact CD2-CZ3 3.64Å; H247-W269 AromaticContact CG-CH2 3.88Å; H247-W269 AromaticContact CG-CZ3 3.58Å; H247-W269 AromaticContact NE2-CH2 3.72Å; Y250-W269 HydrophobicContact CD1-CB 4.39Å; Y250-W269 HydrophobicContact CD1-CE3 4.41Å; Y250-W269 WeakPolarHBondContact CD1-O 3.31Å; Y250-W269 HydrophobicContact CD2-CE3 4.09Å; Y250-W269 HydrophobicContact CD2-CZ3 4.33Å; Y250-W269 AromaticContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CE3 3.86Å; Y250-W269 HydrophobicContact CG-CZ3 4.48Å; H251-W269 PolarHBondContact O-N 3.31Å; W269-P271 WeakPolarHBondContact O-CD 3.47Å
270V92.6Very high89.8Confident0 Ų033.8 Ų33.80%019%0.193CC..EExtended strand (participates in β ladder)trans-74.8124.4175.2-177.30000108.1M201 Y250 H251 M253 V267 Y268 A272 V275 I278M201-V270 HydrophobicContact SD-CB 4.42Å; M201-V270 HydrophobicContact SD-CG2 3.86Å; Y250-V270 CarbonylContact C-O 3.59Å; Y250-V270 WeakPolarHBondContact CA-O 3.26Å; H251-V270 PolarHBondContact N-O 2.79Å; H251-V270 WeakPolarHBondContact O-CB 3.16Å; H251-V270 PolarHBondContact O-N 2.89Å; M253-V270 HydrophobicContact CB-CG2 3.96Å; M253-V270 HydrophobicContact CE-CB 4.35Å; M253-V270 HydrophobicContact CE-CG1 3.8Å; M253-V270 HydrophobicContact CE-CG2 3.76Å; V267-V270 HydrophobicContact CB-CG2 4.21Å; V267-V270 HydrophobicContact CG1-CG2 3.77Å; Y268-V270 VanDerWaalsContact C-N 3.35Å; V270-A272 PolarHBondContact O-N 3.25Å; V270-V275 HydrophobicContact CG1-CG2 4.04Å; V270-I278 HydrophobicContact CG1-CD1 3.97Å
271P91.8Very high89.9Confident2 Ų232.1 Ų32.11%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-60.6129.6178.2-20.330.8000111.2M183 A185 Y250 W269 Q273 F274M183-P271 HydrophobicContact CB-CG 4.19Å; A185-P271 HydrophobicContact CB-CB 4.08Å; Y250-P271 HydrophobicContact CE1-CB 4.37Å; Y250-P271 HydrophobicContact CE1-CG 4.2Å; W269-P271 WeakPolarHBondContact O-CD 3.47Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.11Å; P271-F274 HydrophobicContact CB-CD2 3.94Å; P271-F274 HydrophobicContact CB-CE2 4.33Å; P271-F274 HydrophobicContact CG-CD2 4.15Å; P271-F274 HydrophobicContact CG-CE2 4.46Å; P271-F274 PolarHBondContact O-N 2.78Å; P271-F274 VanDerWaalsContact O-N 3.13Å
272A89.6Confident90.2Very high24 Ų2425.8 Ų25.820%0.19815%0.153CC..Hα-helixtrans-55-34.3-173.900000112.9D249 V270 F274 V275D249-A272 VanDerWaalsContact O-CB 3.27Å; D249-A272 WeakPolarHBondContact O-CB 3.24Å; D249-A272 PolarHBondContact O-N 3.38Å; V270-A272 PolarHBondContact O-N 3.25Å; A272-F274 PolarHBondContact O-N 2.79Å; A272-F274 VanDerWaalsContact O-N 3.15Å; A272-V275 WeakPolarHBondContact O-CB 3.43Å; A272-V275 PolarHBondContact O-N 2.79Å; A272-V275 VanDerWaalsContact O-N 3.15Å
273Q90.4Very high90.5Very high4 Ų425 Ų252%0.01914%0.135CC..Hα-helixtrans-63.8-23.1-176.672.8-86.724.200114.6P184 A185 I186 A189 E191 P271P184-Q273 PolarHBondContact O-NE2 2.9Å; A185-Q273 VanDerWaalsContact CA-OE1 3.28Å; I186-Q273 VanDerWaalsContact N-OE1 3.12Å; A189-Q273 HydrophobicContact CB-CB 4.2Å; A189-Q273 WeakPolarHBondContact O-CA 3.44Å; A189-Q273 VanDerWaalsContact O-CB 3.25Å; A189-Q273 WeakPolarHBondContact O-CB 3.19Å; E191-Q273 HydrophobicContact CB-CB 4.46Å; E191-Q273 HydrophobicContact CB-CG 4.27Å; E191-Q273 PolarHBondContact N-O 2.81Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.11Å
274F91.3Very high89.9Confident6 Ų624.8 Ų24.83%0.02614%0.14CC..Hα-helixtrans-97.2-14.2179.2-59.6-55.8000113M183 E191 R192 L193 P194 L198 P271 A272 D276 A277 I278M183-F274 HydrophobicContact SD-CE2 3.57Å; M183-F274 VanDerWaalsContact SD-CE2 3.57Å; M183-F274 HydrophobicContact SD-CZ 4.04Å; E191-F274 HydrophobicContact CB-CD1 4.1Å; E191-F274 HydrophobicContact CB-CE1 3.68Å; R192-F274 WeakPolarHBondContact O-CE1 3.33Å; L193-F274 HydrophobicContact CD2-CB 4.37Å; P194-F274 HydrophobicContact CG-CE1 4.25Å; P194-F274 HydrophobicContact CG-CZ 4.26Å; L198-F274 HydrophobicContact CD1-CB 4.25Å; L198-F274 HydrophobicContact CD1-CD2 4.19Å; L198-F274 HydrophobicContact CD1-CG 4.34Å; L198-F274 HydrophobicContact CD2-CD2 3.76Å; L198-F274 HydrophobicContact CD2-CE2 3.81Å; L198-F274 HydrophobicContact CD2-CG 4.38Å; L198-F274 HydrophobicContact CD2-CZ 4.45Å; P271-F274 HydrophobicContact CB-CD2 3.94Å; P271-F274 HydrophobicContact CB-CE2 4.33Å; P271-F274 HydrophobicContact CG-CD2 4.15Å; P271-F274 HydrophobicContact CG-CE2 4.46Å; P271-F274 PolarHBondContact O-N 2.78Å; P271-F274 VanDerWaalsContact O-N 3.13Å; A272-F274 PolarHBondContact O-N 2.79Å; A272-F274 VanDerWaalsContact O-N 3.15Å; F274-D276 VanDerWaalsContact C-N 3.32Å; F274-D276 PolarHBondContact O-N 3.23Å; F274-A277 PolarHBondContact O-N 2.94Å; F274-A277 VanDerWaalsContact O-N 3.09Å; F274-I278 HydrophobicContact CB-CD1 4.21Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å; F274-I278 PolarHBondContact O-N 2.68Å
275V89.9Confident88.4Confident4 Ų430.3 Ų30.32%0.02416%0.164CC..Hα-helixtrans-55.1-47.2-172.5172.40000111.8S241 H251 V270 A272 I278 K279S241-V275 VanDerWaalsContact OG-CG1 3.3Å; S241-V275 WeakPolarHBondContact OG-CG1 3.16Å; H251-V275 HydrophobicContact CB-CG2 3.83Å; V270-V275 HydrophobicContact CG1-CG2 4.04Å; A272-V275 WeakPolarHBondContact O-CB 3.43Å; A272-V275 PolarHBondContact O-N 2.79Å; A272-V275 VanDerWaalsContact O-N 3.15Å; V275-I278 PolarHBondContact O-N 2.85Å; V275-K279 WeakPolarHBondContact O-CG 3.35Å; V275-K279 PolarHBondContact O-N 2.84Å; V275-K279 VanDerWaalsContact O-N 3.08Å
276D88.7Confident86.3Confident58 Ų5839.5 Ų39.531%0.3120%0.198SC..Hα-helixtrans-65.7-44.2179.2-71.1-15.2000111.4K190 F274 I278 K279 D280K190-D276 WeakPolarHBondContact CD-OD2 3.42Å; K190-D276 WeakPolarHBondContact CE-OD2 3.47Å; K190-D276 IonicContact NZ-OD2 2.93Å; K190-D276 PolarHBondContact NZ-OD2 2.9Å; F274-D276 VanDerWaalsContact C-N 3.32Å; F274-D276 PolarHBondContact O-N 3.23Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 2.81Å; D276-K279 PolarHBondContact O-N 2.92Å; D276-D280 WeakPolarHBondContact O-CB 3.44Å; D276-D280 PolarHBondContact O-N 2.84Å
277A90.2Very high83.7Confident14 Ų1445.8 Ų45.812%0.11623%0.229CC..Hα-helixtrans-65.5-33.3178.200000112.7E191 L193 F274 T281E191-A277 WeakPolarHBondContact O-CB 3.31Å; L193-A277 HydrophobicContact CD2-CB 3.86Å; L193-A277 HydrophobicContact CG-CB 3.88Å; F274-A277 PolarHBondContact O-N 2.94Å; F274-A277 VanDerWaalsContact O-N 3.09Å; A277-T281 WeakPolarHBondContact O-CB 3.16Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.43Å
278I91.4Very high80.8Confident0 Ų052.9 Ų52.90%026%0.256CS..Hα-helixtrans-65.2-47.5174.2-65.9173.4000109.5L193 L198 F213 M253 F255 V270 F274 V275 D276 T281 V282L193-I278 HydrophobicContact CD2-CB 4.3Å; L193-I278 HydrophobicContact CD2-CD1 4.45Å; L193-I278 HydrophobicContact CD2-CG1 3.38Å; L198-I278 HydrophobicContact CD1-CD1 3.96Å; F213-I278 HydrophobicContact CE1-CG1 4.26Å; F213-I278 HydrophobicContact CE1-CG2 4.02Å; F213-I278 HydrophobicContact CE2-CD1 4.5Å; F213-I278 HydrophobicContact CE2-CG1 4.29Å; F213-I278 HydrophobicContact CZ-CB 4.34Å; F213-I278 HydrophobicContact CZ-CD1 4Å; F213-I278 HydrophobicContact CZ-CG1 3.65Å; F213-I278 HydrophobicContact CZ-CG2 3.94Å; M253-I278 HydrophobicContact CE-CD1 3.59Å; M253-I278 HydrophobicContact CE-CG2 3.95Å; M253-I278 HydrophobicContact SD-CB 4.26Å; M253-I278 HydrophobicContact SD-CD1 4.25Å; M253-I278 HydrophobicContact SD-CG2 3.75Å; F255-I278 HydrophobicContact CE1-CG2 3.74Å; F255-I278 HydrophobicContact CZ-CG2 3.9Å; V270-I278 HydrophobicContact CG1-CD1 3.97Å; F274-I278 HydrophobicContact CB-CD1 4.21Å; F274-I278 HydrophobicContact CB-CG1 4.38Å; F274-I278 VanDerWaalsContact O-CG1 3.24Å; F274-I278 WeakPolarHBondContact O-CG1 3.48Å; F274-I278 PolarHBondContact O-N 2.68Å; V275-I278 PolarHBondContact O-N 2.85Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 2.81Å; I278-T281 PolarHBondContact O-N 3.46Å; I278-V282 HydrophobicContact CG2-CG2 4.26Å; I278-V282 VanDerWaalsContact O-CB 3.31Å; I278-V282 WeakPolarHBondContact O-CB 3.2Å; I278-V282 VanDerWaalsContact O-CG2 3.26Å; I278-V282 WeakPolarHBondContact O-CG2 3.39Å; I278-V282 PolarHBondContact O-N 3.29Å
279K89.7Confident78.1Confident60 Ų6065 Ų6526%0.26131%0.31SS..Hα-helixtrans-60.4-50.3178-73.2179.4178.1177.70111.7V239 S241 V275 D276 T281 V282 L283V239-K279 HydrophobicContact CB-CG 4.21Å; V239-K279 HydrophobicContact CG1-CG 3.98Å; S241-K279 WeakPolarHBondContact OG-CE 3.38Å; S241-K279 PolarHBondContact OG-NZ 3.15Å; V275-K279 WeakPolarHBondContact O-CG 3.35Å; V275-K279 PolarHBondContact O-N 2.84Å; V275-K279 VanDerWaalsContact O-N 3.08Å; D276-K279 PolarHBondContact O-N 2.92Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.63Å; K279-V282 PolarHBondContact O-N 3.35Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.45Å
280D89.1Confident77.4Confident74 Ų7468.1 Ų68.140%0.39632%0.324SS..Hα-helixtrans-59.3-38.8179.6-78.63.5000112.3D276 G284 K285D276-D280 WeakPolarHBondContact O-CB 3.44Å; D276-D280 PolarHBondContact O-N 2.84Å; D280-G284 CarbonylContact O-C 3.5Å; D280-G284 WeakPolarHBondContact O-CA 3.28Å; D280-G284 PolarHBondContact O-N 3.32Å; D280-G284 VanDerWaalsContact O-N 3.14Å; D280-K285 HydrophobicContact CB-CG 4.23Å; D280-K285 PolarHBondContact O-N 3.29Å
281T87.3Confident76.6Confident43 Ų4371.6 Ų71.626%0.26434%0.341SS..Hα-helixtrans-73.7-42.4-179.2-610000111.4L193 L215 M233 A277 I278 K279L193-T281 HydrophobicContact CD1-CG2 3.71Å; L193-T281 WeakPolarHBondContact CD1-OG1 3.43Å; L215-T281 HydrophobicContact CD2-CG2 3.34Å; M233-T281 HydrophobicContact CE-CG2 3.9Å; M233-T281 HydrophobicContact SD-CG2 3.79Å; A277-T281 WeakPolarHBondContact O-CB 3.16Å; A277-T281 PolarHBondContact O-N 3.11Å; A277-T281 PolarHBondContact O-OG1 3.43Å; I278-T281 PolarHBondContact O-N 3.46Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 2.63Å
282V87.2Confident75.8Confident7 Ų775.5 Ų75.54%0.04236%0.36CS..Hα-helixtrans-80.1-40.6-173.6169.90000112.5F213 I236 V239 F255 I278 K279F213-V282 HydrophobicContact CE1-CG2 4.23Å; I236-V282 HydrophobicContact CB-CG1 3.58Å; I236-V282 HydrophobicContact CD1-CG1 3.49Å; I236-V282 VanDerWaalsContact CD1-CG1 3.49Å; I236-V282 HydrophobicContact CD1-CG2 4.41Å; I236-V282 HydrophobicContact CG1-CG1 4.09Å; I236-V282 HydrophobicContact CG2-CG1 3.55Å; V239-V282 HydrophobicContact CG2-CB 4.17Å; V239-V282 HydrophobicContact CG2-CG1 3.69Å; F255-V282 HydrophobicContact CE1-CG2 4.3Å; I278-V282 HydrophobicContact CG2-CG2 4.26Å; I278-V282 VanDerWaalsContact O-CB 3.31Å; I278-V282 WeakPolarHBondContact O-CB 3.2Å; I278-V282 VanDerWaalsContact O-CG2 3.26Å; I278-V282 WeakPolarHBondContact O-CG2 3.39Å; I278-V282 PolarHBondContact O-N 3.29Å; K279-V282 PolarHBondContact O-N 3.35Å
283L85.7Confident75Confident82 Ų8278.5 Ų78.543%0.42937%0.369SS..Hα-helixtrans-92.5-7.6-178.8-59.3176.5000112.6V239 K279V239-L283 HydrophobicContact CB-CD1 4.28Å; V239-L283 HydrophobicContact CG2-CD1 4.34Å; V239-L283 HydrophobicContact CG2-CD2 4.2Å; V239-L283 HydrophobicContact CG2-CG 4.13Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.45Å
284G75.5Confident74Confident41 Ų4183.2 Ų83.242%0.42339%0.391SS..  trans77.7151.7-169.800000111.9D280 W286D280-G284 CarbonylContact O-C 3.5Å; D280-G284 WeakPolarHBondContact O-CA 3.28Å; D280-G284 PolarHBondContact O-N 3.32Å; D280-G284 VanDerWaalsContact O-N 3.14Å; G284-W286 PolarHBondContact O-N 3.22Å
285K61.2Low72.8Confident154 Ų15488.3 Ų88.367%0.6742%0.415SS*.  trans-71.4123168.9-71.1-171.1174.3-169.10108.8D280 Q287D280-K285 HydrophobicContact CB-CG 4.23Å; D280-K285 PolarHBondContact O-N 3.29Å; K285-Q287 PolarHBondContact O-N 3.05Å
286W48.3Very low71.6Confident229 Ų22994.4 Ų94.487%0.86744%0.443SS*.  trans-60.2100.4163.7-108.812.3000108.5G284G284-W286 PolarHBondContact O-N 3.22Å
287Q38.4Very low70.3Confident153 Ų15397.2 Ų97.272%0.71545%0.453SS*.  trans-83.1111.9163.1-73.4-168.6-44.600107.1K285 F289K285-Q287 PolarHBondContact O-N 3.05Å; Q287-F289 PolarHBondContact O-N 3.08Å
288Y34.3Very low68.7Low148 Ų148104.1 Ų104.158%0.5848%0.482SS*.  trans-62.1114.1160.4-79-77.5000107.3V149V149-Y288 HydrophobicContact CB-CE1 4.13Å; V149-Y288 HydrophobicContact CG1-CD1 3.96Å; V149-Y288 HydrophobicContact CG1-CE1 3.08Å; V149-Y288 HydrophobicContact CG1-CE2 4.42Å; V149-Y288 VanDerWaalsContact CG1-OH 3.32Å; V149-Y288 WeakPolarHBondContact CG1-OH 3.39Å; V149-Y288 HydrophobicContact CG2-CE1 3.91Å
289F35.7Very low66.6Low258 Ų258113.5 Ų113.5100%1.13253%0.525SS*.  trans-80.70162-78.3-81.3000109.4Q287Q287-F289 PolarHBondContact O-N 3.08Å

Retrieved 289 of 289 residues in 761.4 ms (Link to these results)