A0A060KYY1_PANTA Loading...

SAP30 binding protein

AlphaFold DB (A0A6P4XBT6), UniProt , Accession A0A060KYY1, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene SAP30BP, Length 308 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.8Very low47.1Very low251 Ų251150.8 Ų150.8100%1.23686%0.861SS**  0113.50-69.9-150.9-149.700108
2A39.8Very low47.4Very low102 Ų102145.8 Ų145.884%0.84385%0.851SS**  trans-90.1127.7-177.400000110.1
3G43Very low47.3Very low75 Ų75144.5 Ų144.577%0.77385%0.846SS**  trans-68131.2-177.700000112.6K5G3-K5 PolarHBondContact O-N 3.07Å
4K51.2Low46.6Very low213 Ų213150.9 Ų150.993%0.92685%0.851SS**  trans-74.9111.3172-66.7173.3176.5-178.80108.4
5K53.7Low46.5Very low192 Ų192146 Ų14684%0.83584%0.837SS**  trans-86.3116.7173.333.3177.7176.61730108.9G3G3-K5 PolarHBondContact O-N 3.07Å
6N49.3Very low46.1Very low145 Ų145148.1 Ų148.178%0.77584%0.837SS**  trans-77.3122.4-179.2-146.99.9000109.1
7V51.6Low45.9Very low136 Ų136148.4 Ų148.482%0.82484%0.836SS**  trans-100.524.1-170.5-91.20000114.1S9V7-S9 PolarHBondContact O-N 2.75Å
8L46.8Very low45.8Very low152 Ų152145.3 Ų145.380%0.79683%0.825SS**  trans-92.825.4-174.1-76.2169.5000115.5
9S48.9Very low45.6Very low110 Ų110147 Ų14777%0.76983%0.826SS**  trans-10631.9-172.775.90000116V7V7-S9 PolarHBondContact O-N 2.75Å
10S53.5Low45.4Very low118 Ų118145.6 Ų145.683%0.82582%0.823SS**  trans-131.647.9178.2-58.40000113.4
11L44.7Very low44.9Very low165 Ų165148 Ų14886%0.86483%0.827SS**  trans-90.5103.5163.4-166.866.4000108.2V13L11-V13 PolarHBondContact O-N 3.37Å
12A50Low45.1Very low90 Ų90141.4 Ų141.474%0.74481%0.806SS**  trans-70.5123.6174.300000109.6
13V46.3Very low45.1Very low130 Ų130144.7 Ų144.779%0.78881%0.809SS**  trans-78.3115.6171.3174.70000107.5L11 A15L11-V13 PolarHBondContact O-N 3.37Å; V13-A15 PolarHBondContact O-N 2.79Å; V13-A15 VanDerWaalsContact O-N 3.11Å
14Y37.6Very low44.7Very low234 Ų234144.5 Ų144.592%0.91881%0.807SS**  trans-7494.1166.1-118.7-97.3000107.2
15A45.5Very low44Very low77 Ų77143.7 Ų143.764%0.63681%0.807SS**  trans-78.8129.4166.300000107.9V13 D17V13-A15 PolarHBondContact O-N 2.79Å; V13-A15 VanDerWaalsContact O-N 3.11Å; A15-D17 PolarHBondContact O-N 3.29Å; A15-D17 VanDerWaalsContact O-N 3.14Å
16E40.3Very low43.1Very low180 Ų180139.1 Ų139.184%0.84181%0.805SS**  trans-58.2111.1168-76.3-147.6151.500110.1S18E16-S18 PolarHBondContact O-N 3.22Å
17D42.9Very low42.2Very low153 Ų153135.6 Ų135.682%0.81880%0.803SS**  trans-95.487.6167.3-153.919.5000107.2A15 E19A15-D17 PolarHBondContact O-N 3.29Å; A15-D17 VanDerWaalsContact O-N 3.14Å; D17-E19 PolarHBondContact O-N 3.11Å
18S42.8Very low41.5Very low92 Ų92135.6 Ų135.664%0.64380%0.803SS**  trans-73.6107.9168.3-76.50000108.3E16 P20E16-S18 PolarHBondContact O-N 3.22Å; S18-P20 WeakPolarHBondContact O-CD 3.33Å
19E42.7Very low40.8Very low178 Ų178136.8 Ų136.883%0.83280%0.804SS**PPolyproline II helixtrans-66.2130.8173-61.9-154.5160.500111.2D17D17-E19 PolarHBondContact O-N 3.11Å
20P41.2Very low40Very low119 Ų119138 Ų13877%0.77381%0.807SS**PPolyproline II helixtrans-86.9120161.830.7-28.4000110.4S18 S22S18-P20 WeakPolarHBondContact O-CD 3.33Å; P20-S22 PolarHBondContact O-N 3.28Å
21E35.2Very low39Very low195 Ų195137.2 Ų137.291%0.91181%0.808SS**PPolyproline II helixtrans-55.9130.5164.6-66.2-149158.400110.6
22S40.5Very low38.2Very low114 Ų114133 Ų13380%0.79780%0.804SS**  trans-130.196.1171.6-179.40000109.2P20P20-S22 PolarHBondContact O-N 3.28Å
23D38.5Very low37.3Very low170 Ų170135 Ų13591%0.90981%0.813SS**  trans-58.7133.3160-100.7-26000110.4
24G35Very low36.7Very low71 Ų71133.8 Ų133.873%0.73282%0.817SS**  trans-166.178-178.800000113A26G24-A26 PolarHBondContact O-N 3.33Å
25E36Very low36.6Very low196 Ų196127.5 Ų127.592%0.91681%0.813SS**  trans-49.6123.2162.4-81.8-94.9175.500112.5
26A36Very low36.1Very low97 Ų97133.2 Ų133.280%0.80283%0.827SS**  trans-163.4108.215000000110.3G24G24-A26 PolarHBondContact O-N 3.33Å
27G31Very low35.9Very low70 Ų70131.7 Ų131.772%0.72282%0.82SS**  trans-70.6149.2175.400000113.8
28V35.1Very low35.9Very low136 Ų136132.3 Ų132.382%0.82482%0.815SS**  trans-140.4113.8148.7169.60000108.1
29E33.3Very low35.6Very low177 Ų177132 Ų13283%0.82783%0.826SS**  trans-73.8137.2169.853.5-148.3122.400112.3
30T32Very low35.2Very low135 Ų135126.9 Ų126.983%0.82882%0.822SS**  trans-164.1102.8150.49.90000112.8
31A31.4Very low35Very low102 Ų102129.8 Ų129.884%0.84383%0.83SS**  trans46.1105.1139.600000122.1
32G29Very low35.2Very low76 Ų76126.3 Ų126.378%0.78482%0.821SS**  87108.8103.600000120.2
33S31.4Very low35.5Very low132 Ų132126.3 Ų126.392%0.92382%0.821SS**  179.3137.4118.843.10000111.2
34A32.8Very low35.6Very low105 Ų105126.5 Ų126.587%0.86882%0.817SS**  trans-99144.7-174.300000111.9
35A35.2Very low35.8Very low103 Ų103127.3 Ų127.385%0.85182%0.816SS**  trans-167.9119.7145.400000110.7
36E36Very low36.1Very low196 Ų196128.9 Ų128.992%0.91682%0.815SS**  trans-66.6147.1157.9-79.1179.3101.500110.2
37E36.8Very low36.3Very low149 Ų149127.8 Ų127.870%0.69681%0.813SS**  163.3142.4116.8-148.7-160.7160.100112
38K41.5Very low36.8Very low166 Ų166132.2 Ų132.272%0.72282%0.815SS**  trans74.2125162.4-42.2-166.4-158.7-88.20115.8
39G36.5Very low37Very low85 Ų85132.2 Ų132.288%0.87681%0.811SS**  cis87.194.444.900000109.4
40G34.9Very low37.3Very low71 Ų71129.2 Ų129.273%0.73280%0.8SS**  trans164.7109.8172.600000114.8V42G40-V42 PolarHBondContact O-N 3.24Å
41L37.6Very low37.7Very low180 Ų180132.1 Ų132.194%0.94280%0.802SS**  trans-58.4116.7166.6-73144.6000109.8S43L41-S43 PolarHBondContact O-N 3.07Å
42V39.2Very low38.4Very low121 Ų121131.9 Ų131.973%0.73379%0.794SS**  trans-85.6109.9167.1175.20000107.9G40 E44G40-V42 PolarHBondContact O-N 3.24Å; V42-E44 HydrophobicContact CG1-CB 4.36Å
43S46.8Very low39.4Very low114 Ų114139.4 Ų139.480%0.79780%0.799SS**  trans-78.9118.3158.7-550000106.5L41L41-S43 PolarHBondContact O-N 3.07Å
44E39.6Very low39.8Very low175 Ų175141.7 Ų141.782%0.81880%0.8SS**  trans-122.6138.2167.6-154.577.9-132.800108.6V42V42-E44 HydrophobicContact CG1-CB 4.36Å
45A39.2Very low40Very low87 Ų87140 Ų14072%0.71979%0.793SS**  trans-76.7158.5-146.600000115.8G47A45-G47 PolarHBondContact O-N 2.93Å
46Y42.8Very low39.9Very low229 Ų229138.2 Ų138.290%0.89878%0.784SS**  trans-41117.6160.4-97.3-117.2000112.1E48Y46-E48 PolarHBondContact O-N 3.17Å
47G39.5Very low39.9Very low74 Ų74136.8 Ų136.876%0.76378%0.783SS**  trans-7990.6155.900000108.7A45 D49A45-G47 PolarHBondContact O-N 2.93Å; G47-D49 PolarHBondContact O-N 3.1Å
48E42.4Very low40.2Very low163 Ų163139.1 Ų139.176%0.76279%0.794SS**  trans-72.3103.9162.3-174.5-168.5-150.500107.7Y46Y46-E48 PolarHBondContact O-N 3.17Å
49D40Very low40Very low137 Ų137138.2 Ų138.273%0.73380%0.797SS**  trans-117.792.8160.5-76.4-49.1000107.9G47 F51G47-D49 PolarHBondContact O-N 3.1Å; D49-F51 HydrophobicContact CB-CD2 4.29Å; D49-F51 HydrophobicContact CB-CE2 3.91Å; D49-F51 PolarHBondContact O-N 2.86Å
50D39.6Very low40Very low113 Ų113138 Ų13860%0.60479%0.794SS**  trans-64.897.9171.3179.325.2000110.6S52D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.43Å; D50-S52 VanDerWaalsContact OD1-N 3.13Å; D50-S52 PolarHBondContact OD1-OG 2.77Å
51F40.5Very low40.1Very low196 Ų196145.1 Ų145.186%0.8680%0.801SS**  trans-100.252.9164.3-69.7-82.6000110.4D49D49-F51 HydrophobicContact CB-CD2 4.29Å; D49-F51 HydrophobicContact CB-CE2 3.91Å; D49-F51 PolarHBondContact O-N 2.86Å
52S45.8Very low40.2Very low97 Ų97144.6 Ų144.668%0.67879%0.793SS**  trans-113.451.1176.8-29.90000112D50D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.43Å; D50-S52 VanDerWaalsContact OD1-N 3.13Å; D50-S52 PolarHBondContact OD1-OG 2.77Å
53R48.8Very low40.1Very low234 Ų234147.4 Ų147.488%0.88380%0.799SS**  trans-157.185.8170.4-157.8172.3-173.4164.71.4114.8
54L41.4Very low39.6Very low181 Ų181149.4 Ų149.495%0.94880%0.795SS**  trans-145112.2136.7-92.6178.3000107.6
55G35.3Very low39.5Very low69 Ų69149.3 Ų149.371%0.71180%0.795SS**  trans-96.9167.2171.800000111.4
56G33.4Very low39.4Very low66 Ų66152.5 Ų152.568%0.6880%0.8SS**  trans75.9127.6175.500000111.9
57D35.7Very low39.4Very low166 Ų166150.6 Ų150.689%0.88880%0.799SS**  cis-151.2157.532.5-69.8-47.1000112
58E43.5Very low39.2Very low197 Ų197154.7 Ų154.792%0.92180%0.803SS**  trans-87.5119.3178.2174.1-176178.200109
59D36.7Very low39Very low148 Ų148150.8 Ų150.879%0.79179%0.794SS**  trans-144.2117.5158.158.6-19.1000111.5
60G37.6Very low39Very low79 Ų79153.5 Ų153.581%0.81480%0.8SS**  trans-72.9144.8175.100000111.7
61Y36.2Very low38.7Very low222 Ų222156.9 Ų156.987%0.87181%0.811SS**  trans-113.7121.4168.259.9-84000107.8
62E39Very low38.5Very low169 Ų169152.4 Ų152.479%0.7981%0.805SS**  trans-73.5141.3179.7-61.6-160.7162.400111.1
63E37.7Very low37.8Very low180 Ų180157 Ų15784%0.84182%0.815SS**  trans-71.4124.6161.6-82.6175.3148.300108.3
64E36.3Very low37.2Very low155 Ų155153.6 Ų153.672%0.72482%0.815SS**  trans-111.5106.2161.8-68.1-74.2-15900107.8
65E39Very low36.9Very low173 Ų173152 Ų15281%0.80881%0.807SS**  trans-76.5117.8162.2-70.1179.7154.100108.1
66D36Very low36.9Very low155 Ų155155 Ų15583%0.82981%0.807SS**  trans-12389.2164.2-89.8-41000109.5
67E43.8Very low37.3Very low188 Ų188157.1 Ų157.188%0.87981%0.811SS**  trans-71.9119.3152.1-66.1-153.4163.100108.7
68N34Very low37.5Very low160 Ų160157.8 Ų157.886%0.85681%0.809SS**  trans-137.9130155.4-161.59.3000112.8
69S39.4Very low37.1Very low81 Ų81155 Ų15557%0.56681%0.805SS**  trans-86.7154.7-171.4-830000113.2
70K38.4Very low37Very low195 Ų195155.2 Ų155.285%0.84880%0.802SS**  trans67.1120142.3-72.6165.5-179.81530119.4
71Q33.3Very low37.2Very low183 Ų183159.3 Ų159.386%0.85580%0.797SS**  trans-162.496.6136.5-153.6146.2-34.600109.4
72S37.8Very low37.6Very low102 Ų102153.7 Ų153.771%0.71379%0.788SS**  71.8108.3106.975.30000115.3
73E31.4Very low37.6Very low194 Ų194154.5 Ų154.591%0.90779%0.792SS**  trans-108.7115.9165.8-62.2-178162.800108.3
74D35.1Very low37.6Very low163 Ų163150.3 Ų150.387%0.87279%0.788SS**  trans-165.3142.4166.2-84.6-39.2000102.1
75D34.6Very low37.7Very low147 Ų147150.5 Ų150.579%0.78679%0.794SS**  cis-167144.74.2177.240000105.4
76D37.1Very low37.5Very low131 Ų131148.4 Ų148.470%0.70179%0.788SS**  trans13.9122.2155.8-1483.2000121.9
77S40.3Very low38.1Very low111 Ų111146.3 Ų146.378%0.77678%0.783SS**  -162.9115.9129.872.60000112.3
78E39.5Very low38.1Very low180 Ų180145.7 Ų145.784%0.84178%0.778SS**  trans-53.6139.7164.9-66.4-172.3141.600113.1
79T35.8Very low38.6Very low138 Ų138145.3 Ų145.385%0.84778%0.776SS**  trans-148116.6146.2-48.50000109.8
80E35.8Very low38.7Very low154 Ų154146.7 Ų146.772%0.7278%0.777SS**  trans-78.7142.6-179.1-123.6-156.5174.200112.7
81K40.7Very low39.2Very low164 Ų164142.8 Ų142.871%0.71377%0.771SS**  trans85.4155.9147.1-73.3-178.9174165.40121.4
82P45.6Very low39.9Very low104 Ų104139.5 Ų139.568%0.67576%0.756SS**  cis-138.9174.6-44.138.8-21.2000113.7
83E37.7Very low40.7Very low187 Ų187138.6 Ų138.687%0.87475%0.746SS**  trans57109.6152.8-73.4-176.916500120.8
84A38.5Very low41.7Very low92 Ų92138.4 Ų138.476%0.7675%0.745SS**  -174.4129.4116.900000111.6
85D38.8Very low42.9Very low158 Ų158139.8 Ų139.885%0.84574%0.743SS**  trans63.287.8157.6-62.5-40.4000119.7P87D85-P87 WeakPolarHBondContact O-CD 3.48Å
86D34.3Very low44.2Very low129 Ų129137.5 Ų137.569%0.6972%0.724SS**  trans-67.5114.7160.8171.933.1000111.8K88D86-K88 WeakPolarHBondContact OD1-CA 3.06Å; D86-K88 PolarHBondContact OD1-N 2.82Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å
87P49Very low46.4Very low112 Ų112135.1 Ų135.173%0.72771%0.711SS**  trans-87.5100150.331.8-19.6000106.9D85 D89D85-P87 WeakPolarHBondContact O-CD 3.48Å; P87-D89 PolarHBondContact O-N 2.97Å
88K43.9Very low48.4Very low175 Ų175133.8 Ų133.876%0.76170%0.699SS**  trans-26.792.4174.1-69.3178-179.5177.30112.9D86 N90D86-K88 WeakPolarHBondContact OD1-CA 3.06Å; D86-K88 PolarHBondContact OD1-N 2.82Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å; K88-N90 PolarHBondContact O-N 2.99Å
89D43.1Very low50.3Low152 Ų152129.4 Ų129.481%0.81368%0.679SS**  trans-72.8109.1164-117.5-27.5000104.9P87 P91P87-D89 PolarHBondContact O-N 2.97Å; D89-P91 WeakPolarHBondContact O-CD 3.39Å
90N42.8Very low52.6Low110 Ų110128.4 Ų128.459%0.58867%0.665SS**  trans-68.7106.2173.9-10115.5000107.7K88 E92 V93K88-N90 PolarHBondContact O-N 2.99Å; N90-E92 PolarHBondContact O-N 3.38Å; N90-V93 HydrophobicContact CB-CG2 4.42Å
91P48.3Very low55Low113 Ų113124 Ų12473%0.73465%0.646SS**THydrogen-bonded Turntrans-76.411.4178.436.1-35.3000112.2D89D89-P91 WeakPolarHBondContact O-CD 3.39Å
92E48.8Very low57.2Low113 Ų113119.9 Ų119.953%0.52863%0.634SS.*THydrogen-bonded Turntrans-97.8-7.4-172.3-144.6-173.9146.100113.4N90 R96N90-E92 PolarHBondContact O-N 3.38Å; E92-R96 IonicContact OE1-CZ 2.77Å; E92-R96 IonicContact OE1-NH2 3.68Å; E92-R96 PolarHBondContact OE1-NH2 3.3Å; E92-R96 IonicContact OE2-NH2 3.79Å
93V54.1Low59.1Low84 Ų84115.7 Ų115.751%0.50961%0.608SS.*SBendtrans-81.5-24.4-178.9-177.60000112N90 K95N90-V93 HydrophobicContact CB-CG2 4.42Å; V93-K95 PolarHBondContact O-N 2.93Å
94E52.8Low61.4Low190 Ų190109.2 Ų109.289%0.88858%0.584SS**THydrogen-bonded Turntrans-78-11.4-175.9-85.9-169.5148.500115.4
95K58.8Low63.7Low192 Ų192111.1 Ų111.184%0.83558%0.575SS**THydrogen-bonded Turntrans-113.2-4.3-174-64.1-174.4-176.1177.20115.2V93V93-K95 PolarHBondContact O-N 2.93Å
96R62.2Low65.9Low99 Ų99105 Ų10537%0.37454%0.544SS..SBendtrans-83135.6179.6-66.3-159.6-165121.34.5110.1E92 L101E92-R96 IonicContact OE1-CZ 2.77Å; E92-R96 IonicContact OE1-NH2 3.68Å; E92-R96 PolarHBondContact OE1-NH2 3.3Å; E92-R96 IonicContact OE2-NH2 3.79Å; R96-L101 HydrophobicContact CB-CD2 3.89Å; R96-L101 HydrophobicContact CB-CG 3.98Å
97D82.8Confident68.5Low81 Ų81104 Ų10443%0.43354%0.536SS..  trans-56.2135.9174.3178.873.7000109.4Q99 E100 L101D97-Q99 PolarHBondContact O-N 3.31Å; D97-Q99 VanDerWaalsContact O-N 3.09Å; D97-Q99 VanDerWaalsContact OD2-CB 3.25Å; D97-Q99 WeakPolarHBondContact OD2-CB 3.29Å; D97-Q99 PolarHBondContact OD2-N 3.02Å; D97-Q99 VanDerWaalsContact OD2-N 3.1Å; D97-Q99 PolarHBondContact OD2-OE1 3.48Å; D97-Q99 VanDerWaalsContact OD2-OE1 3.08Å; D97-E100 HydrophobicContact CB-CB 4.43Å; D97-E100 HydrophobicContact CB-CG 4.14Å; D97-E100 WeakPolarHBondContact O-CB 3.29Å; D97-E100 PolarHBondContact O-N 3.41Å; D97-L101 PolarHBondContact O-N 3.4Å; D97-L101 VanDerWaalsContact O-N 3.13Å
98P82.4Confident70.3Confident82 Ų82107 Ų10753%0.53253%0.533SS..Hα-helixtrans-53.1-33.1-178.4-2936.1000113.4L101 V102P98-L101 PolarHBondContact O-N 3.18Å; P98-V102 WeakPolarHBondContact O-CG2 3.31Å; P98-V102 PolarHBondContact O-N 3.39Å; P98-V102 VanDerWaalsContact O-N 3.13Å
99Q80.9Confident72.3Confident89 Ų89100.8 Ų100.842%0.41651%0.509SS..Hα-helixtrans-72.8-33178.3-71.769.210.300112D97 V102 A103 K183D97-Q99 PolarHBondContact O-N 3.31Å; D97-Q99 VanDerWaalsContact O-N 3.09Å; D97-Q99 VanDerWaalsContact OD2-CB 3.25Å; D97-Q99 WeakPolarHBondContact OD2-CB 3.29Å; D97-Q99 PolarHBondContact OD2-N 3.02Å; D97-Q99 VanDerWaalsContact OD2-N 3.1Å; D97-Q99 PolarHBondContact OD2-OE1 3.48Å; D97-Q99 VanDerWaalsContact OD2-OE1 3.08Å; Q99-V102 PolarHBondContact O-N 3.26Å; Q99-A103 WeakPolarHBondContact O-CB 3.5Å; Q99-A103 PolarHBondContact O-N 3.44Å; Q99-K183 HydrophobicContact CG-CD 4.39Å
100E84.1Confident74.2Confident117 Ų11799.7 Ų99.755%0.54749%0.494SS..Hα-helixtrans-66.4-37.8172-70.7-173.4166.800111.9D97 A103 S104D97-E100 HydrophobicContact CB-CB 4.43Å; D97-E100 HydrophobicContact CB-CG 4.14Å; D97-E100 WeakPolarHBondContact O-CB 3.29Å; D97-E100 PolarHBondContact O-N 3.41Å; E100-A103 PolarHBondContact O-N 3.06Å; E100-S104 WeakPolarHBondContact O-CB 3.31Å; E100-S104 PolarHBondContact O-N 3.47Å; E100-S104 PolarHBondContact O-OG 3.03Å
101L86.1Confident76.3Confident61 Ų61100.5 Ų100.532%0.31950%0.498SS..Hα-helixtrans-62.2-45.4174.9-68.9175.6000111.2R96 D97 P98 S104 F105R96-L101 HydrophobicContact CB-CD2 3.89Å; R96-L101 HydrophobicContact CB-CG 3.98Å; D97-L101 PolarHBondContact O-N 3.4Å; D97-L101 VanDerWaalsContact O-N 3.13Å; P98-L101 PolarHBondContact O-N 3.18Å; L101-S104 PolarHBondContact O-N 3.29Å; L101-S104 PolarHBondContact O-OG 3.18Å; L101-F105 WeakPolarHBondContact O-CB 3.35Å; L101-F105 PolarHBondContact O-N 2.76Å
102V85.6Confident78.2Confident77 Ų7798.6 Ų98.647%0.46748%0.48SS..Hα-helixtrans-62.5-45.4176.1176.30000111P98 Q99 S104 F105 S106 P182P98-V102 WeakPolarHBondContact O-CG2 3.31Å; P98-V102 PolarHBondContact O-N 3.39Å; P98-V102 VanDerWaalsContact O-N 3.13Å; Q99-V102 PolarHBondContact O-N 3.26Å; V102-S104 PolarHBondContact O-N 2.82Å; V102-F105 PolarHBondContact O-N 3.42Å; V102-S106 WeakPolarHBondContact O-CB 3.29Å; V102-S106 PolarHBondContact O-N 2.85Å; V102-S106 PolarHBondContact O-OG 3.27Å; V102-P182 HydrophobicContact CG1-CB 4.31Å
103A86.3Confident80Confident16 Ų1695.3 Ų95.313%0.13247%0.47CS..Hα-helixtrans-60.4-46.3177.800000112Q99 E100 F105 S106 E107 P182Q99-A103 WeakPolarHBondContact O-CB 3.5Å; Q99-A103 PolarHBondContact O-N 3.44Å; E100-A103 PolarHBondContact O-N 3.06Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.08Å; A103-S106 PolarHBondContact O-N 2.84Å; A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 3.38Å; A103-P182 HydrophobicContact CB-CB 4.18Å
104S85.7Confident81.4Confident52 Ų5296.5 Ų96.536%0.36448%0.479SS..Hα-helixtrans-63.6-37.8178.6720000112.7E100 L101 V102 R108E100-S104 WeakPolarHBondContact O-CB 3.31Å; E100-S104 PolarHBondContact O-N 3.47Å; E100-S104 PolarHBondContact O-OG 3.03Å; L101-S104 PolarHBondContact O-N 3.29Å; L101-S104 PolarHBondContact O-OG 3.18Å; V102-S104 PolarHBondContact O-N 2.82Å; S104-R108 WeakPolarHBondContact O-CB 3.44Å; S104-R108 PolarHBondContact O-N 2.92Å
105F86.1Confident82.9Confident131 Ų13194.7 Ų94.758%0.57548%0.476SS*.Hα-helixtrans-66-48.6174176.3-100.3000111L101 V102 A103 E107 R108 V109L101-F105 WeakPolarHBondContact O-CB 3.35Å; L101-F105 PolarHBondContact O-N 2.76Å; V102-F105 PolarHBondContact O-N 3.42Å; A103-F105 VanDerWaalsContact C-N 3.34Å; A103-F105 PolarHBondContact O-N 3.08Å; F105-E107 VanDerWaalsContact C-N 3.31Å; F105-E107 PolarHBondContact O-N 2.82Å; F105-R108 PolarHBondContact O-N 3.13Å; F105-V109 HydrophobicContact CD1-CG2 4.25Å; F105-V109 HydrophobicContact CD2-CG2 4.38Å; F105-V109 HydrophobicContact CE1-CG2 3.79Å; F105-V109 HydrophobicContact CE2-CG2 3.93Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.41Å; F105-V109 PolarHBondContact O-N 3.39Å
106S86.8Confident84.1Confident29 Ų2991 Ų9120%0.20346%0.462CS..Hα-helixtrans-60.2-39176.6-67.50000112.3V102 A103 R110V102-S106 WeakPolarHBondContact O-CB 3.29Å; V102-S106 PolarHBondContact O-N 2.85Å; V102-S106 PolarHBondContact O-OG 3.27Å; A103-S106 PolarHBondContact O-N 2.84Å; S106-R110 WeakPolarHBondContact O-CB 3.49Å; S106-R110 WeakPolarHBondContact O-CG 3.32Å; S106-R110 PolarHBondContact O-N 2.96Å; S106-R110 PolarHBondContact O-NE 2.83Å
107E87Confident85.3Confident109 Ų10990.7 Ų90.751%0.50947%0.466SS..Hα-helixtrans-62.8-47.6172.9-174.2177.5-169.600112A103 F105 V109 R110 N111A103-E107 WeakPolarHBondContact O-CB 3.27Å; A103-E107 PolarHBondContact O-N 3.38Å; F105-E107 VanDerWaalsContact C-N 3.31Å; F105-E107 PolarHBondContact O-N 2.82Å; E107-V109 PolarHBondContact O-N 3.09Å; E107-R110 PolarHBondContact O-N 3.28Å; E107-N111 VanDerWaalsContact O-CG 3.29Å; E107-N111 PolarHBondContact O-N 2.87Å; E107-N111 VanDerWaalsContact O-N 3.11Å; E107-N111 PolarHBondContact O-ND2 3.42Å; E107-N111 VanDerWaalsContact O-ND2 3.11Å
108R87Confident85.3Confident175 Ų17595 Ų9566%0.6648%0.481SS*.Hα-helixtrans-59.7-43.9177172.1162.8-98-172.1-6.3112.3S104 F105 N111 M112S104-R108 WeakPolarHBondContact O-CB 3.44Å; S104-R108 PolarHBondContact O-N 2.92Å; F105-R108 PolarHBondContact O-N 3.13Å; R108-N111 PolarHBondContact O-N 3.4Å; R108-M112 HydrophobicContact CG-CE 3.85Å; R108-M112 PolarHBondContact O-N 2.94Å
109V85.9Confident85.5Confident45 Ų4598.9 Ų98.927%0.27350%0.495SS..Hα-helixtrans-64.9-40.9177.7173.70000111.3F105 E107 N111 M112 I117F105-V109 HydrophobicContact CD1-CG2 4.25Å; F105-V109 HydrophobicContact CD2-CG2 4.38Å; F105-V109 HydrophobicContact CE1-CG2 3.79Å; F105-V109 HydrophobicContact CE2-CG2 3.93Å; F105-V109 HydrophobicContact CZ-CG2 3.61Å; F105-V109 WeakPolarHBondContact O-CG2 3.41Å; F105-V109 PolarHBondContact O-N 3.39Å; E107-V109 PolarHBondContact O-N 3.09Å; V109-N111 PolarHBondContact O-N 3.48Å; V109-M112 PolarHBondContact O-N 3.13Å; V109-I117 HydrophobicContact CG1-CD1 4.2Å
110R84.3Confident85.6Confident129 Ų12999.3 Ų99.349%0.48751%0.506SS..Hα-helixtrans-62.4-28.2176.6-76.7-178.7-651781.1113.3S106 E107 D184S106-R110 WeakPolarHBondContact O-CB 3.49Å; S106-R110 WeakPolarHBondContact O-CG 3.32Å; S106-R110 PolarHBondContact O-N 2.96Å; S106-R110 PolarHBondContact O-NE 2.83Å; E107-R110 PolarHBondContact O-N 3.28Å; R110-D184 IonicContact NH2-OD2 2.81Å
111N87.4Confident85.6Confident127 Ų12799.4 Ų99.468%0.67952%0.517SS*.THydrogen-bonded Turntrans-91-5.6-179.5-66.3-31.2000113.6E107 R108 V109E107-N111 VanDerWaalsContact O-CG 3.29Å; E107-N111 PolarHBondContact O-N 2.87Å; E107-N111 VanDerWaalsContact O-N 3.11Å; E107-N111 PolarHBondContact O-ND2 3.42Å; E107-N111 VanDerWaalsContact O-ND2 3.11Å; R108-N111 PolarHBondContact O-N 3.4Å; V109-N111 PolarHBondContact O-N 3.48Å
112M87.3Confident85.4Confident73 Ų73105.3 Ų105.336%0.3654%0.543SS..SBendtrans-85.2152174.7-78.9179.7177.600111.5R108 V109 E116 I117R108-M112 HydrophobicContact CG-CE 3.85Å; R108-M112 PolarHBondContact O-N 2.94Å; V109-M112 PolarHBondContact O-N 3.13Å; M112-E116 HydrophobicContact CB-CB 4.32Å; M112-I117 HydrophobicContact CB-CG1 4.43Å
113S85.8Confident85.3Confident44 Ų44107.1 Ų107.131%0.30856%0.556SS.*  trans-69.8149.6168.870.30000110.1D115 E116 I117S113-D115 PolarHBondContact O-N 3.37Å; S113-D115 VanDerWaalsContact O-N 3.1Å; S113-E116 WeakPolarHBondContact O-CB 3.42Å; S113-E116 PolarHBondContact O-N 2.99Å; S113-E116 VanDerWaalsContact OG-CG 3.27Å; S113-E116 WeakPolarHBondContact OG-CG 3.27Å; S113-E116 PolarHBondContact OG-OE1 3.2Å; S113-I117 PolarHBondContact O-N 2.97Å
114P83.9Confident85Confident109 Ų109112.9 Ų112.971%0.70859%0.593SS**G310 helixtrans-54.9-32.1-179.3-27.535.3000114E116 I117P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.32Å; P114-I117 PolarHBondContact O-N 3.39Å
115D85.3Confident84.8Confident152 Ų152113.9 Ų113.981%0.81361%0.611SS**G310 helixtrans-73.4-20.2180-62.6-28000113.2S113S113-D115 PolarHBondContact O-N 3.37Å; S113-D115 VanDerWaalsContact O-N 3.1Å
116E84.1Confident84.5Confident115 Ų115119.2 Ų119.254%0.53763%0.627SS.*G310 helixtrans-86.2-15.9176-72.7163.5-143.300112.6M112 S113 P114 K118M112-E116 HydrophobicContact CB-CB 4.32Å; S113-E116 WeakPolarHBondContact O-CB 3.42Å; S113-E116 PolarHBondContact O-N 2.99Å; S113-E116 VanDerWaalsContact OG-CG 3.27Å; S113-E116 WeakPolarHBondContact OG-CG 3.27Å; S113-E116 PolarHBondContact OG-OE1 3.2Å; P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 3.32Å; E116-K118 PolarHBondContact O-N 3.42Å; E116-K118 VanDerWaalsContact O-N 3.08Å
117I86.1Confident84.4Confident91 Ų91122 Ų12247%0.46765%0.645SS.*  trans-73104178.5-56.6176.2000108.9V109 M112 S113 P114V109-I117 HydrophobicContact CG1-CD1 4.2Å; M112-I117 HydrophobicContact CB-CG1 4.43Å; S113-I117 PolarHBondContact O-N 2.97Å; P114-I117 PolarHBondContact O-N 3.39Å
118K84.4Confident84.5Confident173 Ų173120.3 Ų120.375%0.75265%0.646SS**  trans-109.7146.4176.9-67.1177.3-176.7172.40110.5E116E116-K118 PolarHBondContact O-N 3.42Å; E116-K118 VanDerWaalsContact O-N 3.08Å
119I86Confident84.8Confident162 Ų162117.6 Ų117.683%0.83164%0.644SS**PPolyproline II helixtrans-59.4133.9168.5-58.1177000107.5
120P82.6Confident85.1Confident99 Ų99121.4 Ų121.464%0.64366%0.659SS**PPolyproline II helixtrans-52.3146.1175.3-2633.7000111.7
121P83.8Confident85.5Confident119 Ų119119.5 Ų119.577%0.77366%0.658SS**PPolyproline II helixtrans-60.3155.6173.228.2-34.6000110.4
122E81.9Confident85.8Confident184 Ų184117.6 Ų117.686%0.8665%0.645SS**PPolyproline II helixtrans-54.5134.7178.2-68-179.9-177.700110.5
123P83.4Confident86.1Confident115 Ų115119 Ų11975%0.74765%0.654SS**PPolyproline II helixtrans-61.1136.3-177.924.3-32.8000110.1G125P123-G125 PolarHBondContact O-N 2.92Å
124P80Confident86.6Confident138 Ų138122 Ų12290%0.89666%0.661SS**SBendtrans-68.7122.3177.627.6-32.7000109.9
125G81.6Confident87Confident72 Ų72121.5 Ų121.574%0.74265%0.652SS**SBendtrans146.516017500000113.3P123P123-G125 PolarHBondContact O-N 2.92Å
126R81.1Confident87.4Confident243 Ų243119.4 Ų119.492%0.91764%0.637SS**PPolyproline II helixtrans-88.7134.5167.5-67.9-178.2-179-106.60.6108.3
127C83.1Confident87.9Confident88 Ų88121.4 Ų121.460%0.59564%0.644SS**PPolyproline II helixtrans-58.4151171.6-59.50000110.2N129 Q132C127-N129 PolarHBondContact O-N 3.29Å; C127-Q132 HydrophobicContact CB-CG 3.84Å; C127-Q132 PolarHBondContact O-NE2 3.1Å
128S90.4Very high88.1Confident73 Ų73120.7 Ų120.751%0.5164%0.641SS.*PPolyproline II helixtrans-53.3126.9174170.80000111.1H130 L131 Q132S128-H130 VanDerWaalsContact C-N 3.28Å; S128-H130 PolarHBondContact O-N 3.28Å; S128-L131 PolarHBondContact O-N 2.97Å; S128-L131 VanDerWaalsContact O-N 3.11Å; S128-Q132 WeakPolarHBondContact O-CG 3.47Å; S128-Q132 PolarHBondContact O-N 3.42Å
129N92Very high88.4Confident118 Ų118119.7 Ų119.763%0.63163%0.633SS**Hα-helixtrans-57.4-42.4-178.9-68.1-52.3000111.3C127 L131 Q132 D133C127-N129 PolarHBondContact O-N 3.29Å; N129-L131 VanDerWaalsContact C-N 3.28Å; N129-L131 PolarHBondContact O-N 3.45Å; N129-Q132 PolarHBondContact O-N 3.1Å; N129-D133 PolarHBondContact O-N 3.48Å
130H93.1Very high88.8Confident125 Ų125115.3 Ų115.358%0.57961%0.609SS**Hα-helixtrans-59.3-38.1178-178.969.5000112.9S128 K134S128-H130 VanDerWaalsContact C-N 3.28Å; S128-H130 PolarHBondContact O-N 3.28Å; H130-K134 PolarHBondContact NE2-NZ 3.49Å; H130-K134 WeakPolarHBondContact O-CB 3.3Å; H130-K134 PolarHBondContact O-N 3.33Å; H130-K134 VanDerWaalsContact O-N 3.1Å
131L92.6Very high89.2Confident90 Ų90114.5 Ų114.547%0.47159%0.593SS.*Hα-helixtrans-71.9-41.4178.2-173.266.5000111.2S128 N129 K134 I135S128-L131 PolarHBondContact O-N 2.97Å; S128-L131 VanDerWaalsContact O-N 3.11Å; N129-L131 VanDerWaalsContact C-N 3.28Å; N129-L131 PolarHBondContact O-N 3.45Å; L131-K134 PolarHBondContact O-N 2.93Å; L131-I135 HydrophobicContact CD1-CD1 4.36Å; L131-I135 HydrophobicContact CD2-CD1 4.5Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 3.19Å
132Q93Very high89.5Confident87 Ų87114.5 Ų114.541%0.40758%0.581SS.*Hα-helixtrans-59.1-47.6175.6-67.8-176.955.400111.1C127 S128 N129 K134 I135 Q136C127-Q132 HydrophobicContact CB-CG 3.84Å; C127-Q132 PolarHBondContact O-NE2 3.1Å; S128-Q132 WeakPolarHBondContact O-CG 3.47Å; S128-Q132 PolarHBondContact O-N 3.42Å; N129-Q132 PolarHBondContact O-N 3.1Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; Q132-K134 PolarHBondContact O-N 3.42Å; Q132-I135 PolarHBondContact O-N 2.89Å; Q132-Q136 VanDerWaalsContact O-CB 3.31Å; Q132-Q136 WeakPolarHBondContact O-CB 3.33Å; Q132-Q136 PolarHBondContact O-N 3.08Å
133D95.1Very high90Very high101 Ų101110.9 Ų110.954%0.5457%0.567SS.*Hα-helixtrans-62.1-40.7178.1-66.6-24.5000111.8N129 Q136 K137N129-D133 PolarHBondContact O-N 3.48Å; D133-Q136 PolarHBondContact O-N 3Å; D133-K137 VanDerWaalsContact O-CB 3.29Å; D133-K137 WeakPolarHBondContact O-CB 3.29Å; D133-K137 PolarHBondContact O-N 3.28Å
134K94.6Very high90.4Very high107 Ų107112.9 Ų112.947%0.46556%0.564SS.*Hα-helixtrans-62.9-47.5176.7-174.3176.5-66.3174.80111.4H130 L131 Q132 K137 L138H130-K134 PolarHBondContact NE2-NZ 3.49Å; H130-K134 WeakPolarHBondContact O-CB 3.3Å; H130-K134 PolarHBondContact O-N 3.33Å; H130-K134 VanDerWaalsContact O-N 3.1Å; L131-K134 PolarHBondContact O-N 2.93Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; Q132-K134 PolarHBondContact O-N 3.42Å; K134-K137 PolarHBondContact O-N 3.28Å; K134-L138 HydrophobicContact CG-CD1 4.49Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.42Å; K134-L138 PolarHBondContact O-N 3.11Å
135I93.7Very high90.7Very high100 Ų100112.8 Ų112.851%0.51355%0.551SS.*Hα-helixtrans-63.5-44.8177.8-68.2168.6000110.1L131 Q132 K137 L138 Y139L131-I135 HydrophobicContact CD1-CD1 4.36Å; L131-I135 HydrophobicContact CD2-CD1 4.5Å; L131-I135 HydrophobicContact CG-CD1 3.93Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 3.19Å; Q132-I135 PolarHBondContact O-N 2.89Å; I135-K137 PolarHBondContact O-N 3Å; I135-L138 PolarHBondContact O-N 3.29Å; I135-Y139 WeakPolarHBondContact O-CB 3.38Å; I135-Y139 PolarHBondContact O-N 3.21Å
136Q93.6Very high90.9Very high107 Ų107112.2 Ų112.250%0.555%0.546SS..Hα-helixtrans-60-47.5177.8-179174.3-15.200111.3Q132 D133 L138 Y139 E140Q132-Q136 VanDerWaalsContact O-CB 3.31Å; Q132-Q136 WeakPolarHBondContact O-CB 3.33Å; Q132-Q136 PolarHBondContact O-N 3.08Å; D133-Q136 PolarHBondContact O-N 3Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 3.25Å; Q136-Y139 PolarHBondContact O-N 3.45Å; Q136-E140 HydrophobicContact CG-CG 4.39Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.45Å; Q136-E140 PolarHBondContact NE2-OE1 3.26Å; Q136-E140 WeakPolarHBondContact O-CB 3.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.36Å; Q136-E140 PolarHBondContact O-N 2.82Å
137K93.4Very high91Very high158 Ų158103.6 Ų103.669%0.68752%0.517SS*.Hα-helixtrans-59.4-42.4176.9-174.1174.9-178.11750112.1D133 K134 I135 R141D133-K137 VanDerWaalsContact O-CB 3.29Å; D133-K137 WeakPolarHBondContact O-CB 3.29Å; D133-K137 PolarHBondContact O-N 3.28Å; K134-K137 PolarHBondContact O-N 3.28Å; I135-K137 PolarHBondContact O-N 3Å; K137-R141 VanDerWaalsContact O-CB 3.31Å; K137-R141 WeakPolarHBondContact O-CB 3.45Å; K137-R141 PolarHBondContact O-N 3.11Å
138L90.5Very high91.3Very high76 Ų76102.8 Ų102.840%0.39851%0.506SS..Hα-helixtrans-65.4-41.2176-71.1176.8000112.2K134 I135 Q136 R141 K142 M149K134-L138 HydrophobicContact CG-CD1 4.49Å; K134-L138 VanDerWaalsContact O-CG 3.29Å; K134-L138 WeakPolarHBondContact O-CG 3.42Å; K134-L138 PolarHBondContact O-N 3.11Å; I135-L138 PolarHBondContact O-N 3.29Å; Q136-L138 VanDerWaalsContact C-N 3.33Å; Q136-L138 PolarHBondContact O-N 3.25Å; L138-R141 PolarHBondContact O-N 3.49Å; L138-K142 PolarHBondContact O-N 3.25Å; L138-M149 HydrophobicContact CD2-CE 4.25Å
139Y91.7Very high91.1Very high151 Ų151103.1 Ų103.159%0.59250%0.501SS*.Hα-helixtrans-65.9-47.4178.3-178.6-98.2000111.8I135 Q136 R141 K142 I143I135-Y139 WeakPolarHBondContact O-CB 3.38Å; I135-Y139 PolarHBondContact O-N 3.21Å; Q136-Y139 PolarHBondContact O-N 3.45Å; Y139-R141 VanDerWaalsContact C-N 3.29Å; Y139-R141 PolarHBondContact O-N 2.86Å; Y139-K142 WeakPolarHBondContact O-CB 3.25Å; Y139-K142 PolarHBondContact O-N 3.13Å; Y139-I143 HydrophobicContact CD1-CG1 4.35Å; Y139-I143 HydrophobicContact CE1-CG1 3.94Å; Y139-I143 HydrophobicContact CE2-CD1 4.5Å; Y139-I143 HydrophobicContact CE2-CG1 4.34Å; Y139-I143 WeakPolarHBondContact O-CG1 3.41Å; Y139-I143 PolarHBondContact O-N 3.19Å
140E93.7Very high91.1Very high70 Ų70102 Ų10233%0.32750%0.495SS..Hα-helixtrans-59.3-42.5176.2-74.6-173.3-153.700111.7Q136 I143 K144Q136-E140 HydrophobicContact CG-CG 4.39Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.45Å; Q136-E140 PolarHBondContact NE2-OE1 3.26Å; Q136-E140 WeakPolarHBondContact O-CB 3.38Å; Q136-E140 WeakPolarHBondContact O-CG 3.36Å; Q136-E140 PolarHBondContact O-N 2.82Å; E140-I143 PolarHBondContact O-N 3.27Å; E140-K144 HydrophobicContact CB-CD 4.46Å; E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.47Å; E140-K144 VanDerWaalsContact O-CG 3.32Å; E140-K144 WeakPolarHBondContact O-CG 3.43Å; E140-K144 PolarHBondContact O-N 2.93Å; E140-K144 IonicContact OE2-NZ 3.76Å; E140-K144 PolarHBondContact OE2-NZ 3.03Å
141R90.7Very high91Very high83 Ų83101.5 Ų101.531%0.31349%0.489SS..Hα-helixtrans-62.4-43175.4178.7158.263.5162.13.2112.3K137 L138 Y139 I143 E145 M147K137-R141 VanDerWaalsContact O-CB 3.31Å; K137-R141 WeakPolarHBondContact O-CB 3.45Å; K137-R141 PolarHBondContact O-N 3.11Å; L138-R141 PolarHBondContact O-N 3.49Å; Y139-R141 VanDerWaalsContact C-N 3.29Å; Y139-R141 PolarHBondContact O-N 2.86Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 2.92Å; R141-E145 VanDerWaalsContact CD-OE2 3.3Å; R141-E145 WeakPolarHBondContact CD-OE2 3.4Å; R141-E145 HydrophobicContact CG-CB 4.35Å; R141-E145 HydrophobicContact CG-CG 4.31Å; R141-E145 VanDerWaalsContact CG-OE2 3.25Å; R141-E145 WeakPolarHBondContact CG-OE2 3.2Å; R141-E145 WeakPolarHBondContact O-CB 3.18Å; R141-E145 PolarHBondContact O-N 2.81Å; R141-M147 VanDerWaalsContact CD-SD 3.58Å; R141-M147 HydrophobicContact CG-CB 4Å; R141-M147 HydrophobicContact CG-SD 3.9Å
142K91.6Very high91Very high119 Ų11999.7 Ų99.752%0.51748%0.479SS..Hα-helixtrans-57.4-43.9174.6179.1-177.9175176.90111.6L138 Y139 G146L138-K142 PolarHBondContact O-N 3.25Å; Y139-K142 WeakPolarHBondContact O-CB 3.25Å; Y139-K142 PolarHBondContact O-N 3.13Å; K142-G146 VanDerWaalsContact O-CA 3.29Å; K142-G146 WeakPolarHBondContact O-CA 3.12Å; K142-G146 PolarHBondContact O-N 2.95Å
143I92.1Very high90.9Very high108 Ų10898.8 Ų98.855%0.55448%0.476SS*.Hα-helixtrans-76.6-43-177-62.4-62.2000112.4Y139 E140 R141Y139-I143 HydrophobicContact CD1-CG1 4.35Å; Y139-I143 HydrophobicContact CE1-CG1 3.94Å; Y139-I143 HydrophobicContact CE2-CD1 4.5Å; Y139-I143 HydrophobicContact CE2-CG1 4.34Å; Y139-I143 WeakPolarHBondContact O-CG1 3.41Å; Y139-I143 PolarHBondContact O-N 3.19Å; E140-I143 PolarHBondContact O-N 3.27Å; R141-I143 VanDerWaalsContact C-N 3.3Å; R141-I143 PolarHBondContact O-N 2.92Å
144K90.9Very high90.7Very high157 Ų15798.5 Ų98.568%0.68347%0.471SS*.Hα-helixtrans-80.1-45-174.7-69.1171.5179.3166.80112.8E140E140-K144 HydrophobicContact CB-CD 4.46Å; E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.47Å; E140-K144 VanDerWaalsContact O-CG 3.32Å; E140-K144 WeakPolarHBondContact O-CG 3.43Å; E140-K144 PolarHBondContact O-N 2.93Å; E140-K144 IonicContact OE2-NZ 3.76Å; E140-K144 PolarHBondContact OE2-NZ 3.03Å
145E86.6Confident90.5Very high135 Ų135100.3 Ų100.363%0.63148%0.475SS*.Hα-helixtrans-96.3-5.3-174.5-60.9170.4-15400112.3R141 M147R141-E145 VanDerWaalsContact CD-OE2 3.3Å; R141-E145 WeakPolarHBondContact CD-OE2 3.4Å; R141-E145 HydrophobicContact CG-CB 4.35Å; R141-E145 HydrophobicContact CG-CG 4.31Å; R141-E145 VanDerWaalsContact CG-OE2 3.25Å; R141-E145 WeakPolarHBondContact CG-OE2 3.2Å; R141-E145 WeakPolarHBondContact O-CB 3.18Å; R141-E145 PolarHBondContact O-N 2.81Å; E145-M147 HydrophobicContact CB-CB 4.41Å; E145-M147 PolarHBondContact O-N 3.44Å
146G85.9Confident90.6Very high61 Ų61101 Ų10163%0.62947%0.474SS*.  trans64.621.6-173.100000113K142 D148K142-G146 VanDerWaalsContact O-CA 3.29Å; K142-G146 WeakPolarHBondContact O-CA 3.12Å; K142-G146 PolarHBondContact O-N 2.95Å; G146-D148 PolarHBondContact O-N 2.95Å
147M83.3Confident90.6Very high62 Ų62103.3 Ų103.331%0.30548%0.483SS..  trans-73.695.2-175.3-161.7176.1-150.300110.8R141 E145 M149 I152R141-M147 VanDerWaalsContact CD-SD 3.58Å; R141-M147 HydrophobicContact CG-CB 4Å; R141-M147 HydrophobicContact CG-SD 3.9Å; E145-M147 HydrophobicContact CB-CB 4.41Å; E145-M147 PolarHBondContact O-N 3.44Å; M147-M149 HydrophobicContact CE-CE 4.47Å; M147-M149 HydrophobicContact CG-CE 4.13Å; M147-M149 PolarHBondContact O-N 3.39Å; M147-M149 HydrophobicContact SD-CE 3.67Å; M147-I152 HydrophobicContact CE-CD1 3.63Å; M147-I152 HydrophobicContact CG-CD1 3.46Å; M147-I152 VanDerWaalsContact CG-CD1 3.46Å; M147-I152 HydrophobicContact SD-CD1 4.29Å
148D88.4Confident90.5Very high71 Ų71100.5 Ų100.538%0.3847%0.472SS..  trans-86.2106.9172.5-177.23.7000110.9G146 N150 Y151 I152G146-D148 PolarHBondContact O-N 2.95Å; D148-N150 VanDerWaalsContact C-N 3.3Å; D148-N150 PolarHBondContact O-N 2.96Å; D148-N150 WeakPolarHBondContact OD1-CB 3.44Å; D148-N150 PolarHBondContact OD1-N 3.31Å; D148-Y151 WeakPolarHBondContact O-CB 3.43Å; D148-Y151 PolarHBondContact O-N 3.1Å; D148-Y151 WeakPolarHBondContact OD2-CB 3.19Å; D148-I152 VanDerWaalsContact O-CG1 3.28Å; D148-I152 WeakPolarHBondContact O-CG1 3.44Å; D148-I152 PolarHBondContact O-N 3.23Å
149M87.9Confident90.6Very high80 Ų80100.5 Ų100.539%0.39447%0.469SS..Hα-helixtrans-60.6-37.3178.2-68.6-64.316800112.6L138 M147 Y151 I152 I153L138-M149 HydrophobicContact CD2-CE 4.25Å; M147-M149 HydrophobicContact CE-CE 4.47Å; M147-M149 HydrophobicContact CG-CE 4.13Å; M147-M149 PolarHBondContact O-N 3.39Å; M147-M149 HydrophobicContact SD-CE 3.67Å; M149-Y151 VanDerWaalsContact C-N 3.35Å; M149-I152 PolarHBondContact O-N 3.35Å; M149-I153 WeakPolarHBondContact O-CB 3.28Å; M149-I153 WeakPolarHBondContact O-CD1 3.44Å; M149-I153 WeakPolarHBondContact O-CG1 3.33Å; M149-I153 PolarHBondContact O-N 3.11Å
150N90.4Very high90.6Very high94 Ų94101 Ų10150%0.50347%0.47SS..Hα-helixtrans-64.6-46.2179.7-172.19.2000109.9D148 I152 I153 Q154D148-N150 VanDerWaalsContact C-N 3.3Å; D148-N150 PolarHBondContact O-N 2.96Å; D148-N150 WeakPolarHBondContact OD1-CB 3.44Å; D148-N150 PolarHBondContact OD1-N 3.31Å; N150-I152 PolarHBondContact O-N 3.46Å; N150-I153 PolarHBondContact O-N 2.63Å; N150-Q154 VanDerWaalsContact CG-NE2 3.32Å; N150-Q154 PolarHBondContact ND2-NE2 2.98Å; N150-Q154 WeakPolarHBondContact O-CG 3.22Å; N150-Q154 PolarHBondContact O-N 3.43Å; N150-Q154 PolarHBondContact OD1-NE2 3.19Å
151Y91.6Very high90.6Very high115 Ų115101.4 Ų101.445%0.45147%0.474SS..Hα-helixtrans-61.1-42.8176.1-174.1-119.7000113.1D148 M149 Q154 R155D148-Y151 WeakPolarHBondContact O-CB 3.43Å; D148-Y151 PolarHBondContact O-N 3.1Å; D148-Y151 WeakPolarHBondContact OD2-CB 3.19Å; M149-Y151 VanDerWaalsContact C-N 3.35Å; Y151-Q154 PolarHBondContact O-N 3.31Å; Y151-R155 VanDerWaalsContact CZ-CZ 3.4Å; Y151-R155 WeakPolarHBondContact O-CB 3.5Å; Y151-R155 WeakPolarHBondContact O-CG 3.48Å; Y151-R155 PolarHBondContact O-N 3.47Å; Y151-R155 VanDerWaalsContact OH-CZ 3.27Å; Y151-R155 PolarHBondContact OH-NE 2.82Å; Y151-R155 VanDerWaalsContact OH-NE 3.08Å; Y151-R155 PolarHBondContact OH-NH2 2.93Å
152I91.6Very high90.7Very high52 Ų52102.2 Ų102.227%0.26749%0.49SS..Hα-helixtrans-62.5-43.9176.1-68.7165.2000111M147 D148 M149 N150 R155 K156M147-I152 HydrophobicContact CE-CD1 3.63Å; M147-I152 HydrophobicContact CG-CD1 3.46Å; M147-I152 VanDerWaalsContact CG-CD1 3.46Å; M147-I152 HydrophobicContact SD-CD1 4.29Å; D148-I152 VanDerWaalsContact O-CG1 3.28Å; D148-I152 WeakPolarHBondContact O-CG1 3.44Å; D148-I152 PolarHBondContact O-N 3.23Å; M149-I152 PolarHBondContact O-N 3.35Å; N150-I152 PolarHBondContact O-N 3.46Å; I152-R155 PolarHBondContact O-N 3.16Å; I152-K156 PolarHBondContact O-N 3.07Å
153I91.1Very high90.8Very high68 Ų6899.2 Ų99.235%0.34949%0.485SS..Hα-helixtrans-62.1-48.6178.7-70.5164.3000110.3M149 N150 R155 K156 F159M149-I153 WeakPolarHBondContact O-CB 3.28Å; M149-I153 WeakPolarHBondContact O-CD1 3.44Å; M149-I153 WeakPolarHBondContact O-CG1 3.33Å; M149-I153 PolarHBondContact O-N 3.11Å; N150-I153 PolarHBondContact O-N 2.63Å; I153-R155 PolarHBondContact O-N 3.38Å; I153-K156 WeakPolarHBondContact O-CB 3.09Å; I153-K156 PolarHBondContact O-N 3.04Å; I153-F159 HydrophobicContact CG2-CB 4.3Å; I153-F159 HydrophobicContact CG2-CD1 3.85Å; I153-F159 HydrophobicContact CG2-CD2 3.46Å; I153-F159 VanDerWaalsContact CG2-CD2 3.46Å; I153-F159 HydrophobicContact CG2-CE1 3.98Å; I153-F159 HydrophobicContact CG2-CE2 3.61Å; I153-F159 HydrophobicContact CG2-CG 3.58Å; I153-F159 HydrophobicContact CG2-CZ 3.87Å; I153-F159 VanDerWaalsContact O-CB 3.25Å; I153-F159 WeakPolarHBondContact O-CB 3.01Å
154Q91.1Very high90.9Very high94 Ų9495.6 Ų95.644%0.43947%0.466SS..Hα-helixtrans-61.6-30.6178.2-69.4176.330.800113.1N150 Y151 K156 R160N150-Q154 VanDerWaalsContact CG-NE2 3.32Å; N150-Q154 PolarHBondContact ND2-NE2 2.98Å; N150-Q154 WeakPolarHBondContact O-CG 3.22Å; N150-Q154 PolarHBondContact O-N 3.43Å; N150-Q154 PolarHBondContact OD1-NE2 3.19Å; Y151-Q154 PolarHBondContact O-N 3.31Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-R160 PolarHBondContact O-NE 2.83Å; Q154-R160 PolarHBondContact O-NH2 3.41Å
155R91.9Very high90.9Very high145 Ų14594.6 Ų94.655%0.54746%0.459SS..Hα-helixtrans-76.7-13.5175.8-77.6-162.2-167164.9-8.5114.5Y151 I152 I153 R160Y151-R155 VanDerWaalsContact CZ-CZ 3.4Å; Y151-R155 WeakPolarHBondContact O-CB 3.5Å; Y151-R155 WeakPolarHBondContact O-CG 3.48Å; Y151-R155 PolarHBondContact O-N 3.47Å; Y151-R155 VanDerWaalsContact OH-CZ 3.27Å; Y151-R155 PolarHBondContact OH-NE 2.82Å; Y151-R155 VanDerWaalsContact OH-NE 3.08Å; Y151-R155 PolarHBondContact OH-NH2 2.93Å; I152-R155 PolarHBondContact O-N 3.16Å; I153-R155 PolarHBondContact O-N 3.38Å; R155-R160 PolarHBondContact O-NH1 3.48Å
156K94.3Very high91.3Very high114 Ų11493.9 Ų93.950%0.49646%0.456SS..SBendtrans-72.1137.4176.7-72.5178.1177.9-176.80110.4I152 I153 Q154 E158 F159 R160I152-K156 PolarHBondContact O-N 3.07Å; I153-K156 WeakPolarHBondContact O-CB 3.09Å; I153-K156 PolarHBondContact O-N 3.04Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.68Å; K156-F159 HydrophobicContact CB-CB 4.3Å; K156-F159 PolarHBondContact O-N 3.04Å; K156-R160 PolarHBondContact O-N 3.08Å
157K93.4Very high91.6Very high157 Ų15797.5 Ų97.568%0.68345%0.454SS*.Hα-helixtrans-67.1-32.6179.766.4-177.7-178.9-176.70111.6F159 R160 N161K157-F159 VanDerWaalsContact C-N 3.34Å; K157-R160 PolarHBondContact O-N 3.31Å; K157-N161 PolarHBondContact O-N 3.25Å
158E91.4Very high92.1Very high98 Ų9897.5 Ų97.546%0.45846%0.455SS..Hα-helixtrans-65.6-39.2178-64.269.6-150.800111.1K156 R160 N161 I164K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 2.68Å; E158-R160 VanDerWaalsContact C-N 3.29Å; E158-R160 PolarHBondContact O-N 3.3Å; E158-N161 WeakPolarHBondContact O-CB 3.29Å; E158-N161 PolarHBondContact O-N 3.13Å; E158-I164 WeakPolarHBondContact O-CB 3.22Å
159F92.8Very high92.3Very high77 Ų7796 Ų9634%0.33845%0.447SS..Hα-helixtrans-71.9-25.7179-166-99.3000112.6I153 K156 K157 N161I153-F159 HydrophobicContact CG2-CB 4.3Å; I153-F159 HydrophobicContact CG2-CD1 3.85Å; I153-F159 HydrophobicContact CG2-CD2 3.46Å; I153-F159 VanDerWaalsContact CG2-CD2 3.46Å; I153-F159 HydrophobicContact CG2-CE1 3.98Å; I153-F159 HydrophobicContact CG2-CE2 3.61Å; I153-F159 HydrophobicContact CG2-CG 3.58Å; I153-F159 HydrophobicContact CG2-CZ 3.87Å; I153-F159 VanDerWaalsContact O-CB 3.25Å; I153-F159 WeakPolarHBondContact O-CB 3.01Å; K156-F159 HydrophobicContact CB-CB 4.3Å; K156-F159 PolarHBondContact O-N 3.04Å; K157-F159 VanDerWaalsContact C-N 3.34Å; F159-N161 VanDerWaalsContact C-N 3.28Å
160R92.1Very high92.6Very high162 Ų16298.6 Ų98.661%0.61146%0.457SS*.Hα-helixtrans-75.9-15.7172.3-68-176.4177.8104.9-7.1113.5Q154 R155 K156 K157 E158 P162Q154-R160 PolarHBondContact O-NE 2.83Å; Q154-R160 PolarHBondContact O-NH2 3.41Å; R155-R160 PolarHBondContact O-NH1 3.48Å; K156-R160 PolarHBondContact O-N 3.08Å; K157-R160 PolarHBondContact O-N 3.31Å; E158-R160 VanDerWaalsContact C-N 3.29Å; E158-R160 PolarHBondContact O-N 3.3Å; R160-P162 WeakPolarHBondContact O-CD 3.34Å
161N93.7Very high92.8Very high78 Ų78102.6 Ų102.642%0.41747%0.471SS..SBendtrans-82.6117.1177.5-177.7-6.4000109.1K157 E158 F159 S163 I164K157-N161 PolarHBondContact O-N 3.25Å; E158-N161 WeakPolarHBondContact O-CB 3.29Å; E158-N161 PolarHBondContact O-N 3.13Å; F159-N161 VanDerWaalsContact C-N 3.28Å; N161-S163 VanDerWaalsContact CG-OG 3.26Å; N161-S163 PolarHBondContact ND2-OG 3Å; N161-S163 PolarHBondContact O-N 3.32Å; N161-S163 PolarHBondContact OD1-N 3.44Å; N161-S163 PolarHBondContact OD1-OG 3.13Å; N161-S163 VanDerWaalsContact OD1-OG 3.09Å; N161-I164 VanDerWaalsContact O-CB 3.3Å; N161-I164 WeakPolarHBondContact O-CB 3.46Å; N161-I164 WeakPolarHBondContact O-CG2 3.37Å; N161-I164 PolarHBondContact O-N 3.35Å
162P92.8Very high92.8Very high99 Ų99100.6 Ų100.664%0.64347%0.473SS*.THydrogen-bonded Turntrans-58.4-22.3-18023.7-34.1000113.6R160 I164 Y165R160-P162 WeakPolarHBondContact O-CD 3.34Å; P162-I164 PolarHBondContact O-N 3.45Å; P162-Y165 VanDerWaalsContact O-CD2 3.3Å; P162-Y165 WeakPolarHBondContact O-CD2 3.48Å; P162-Y165 PolarHBondContact O-N 2.73Å
163S93.7Very high92.9Very high57 Ų57102.4 Ų102.440%0.39950%0.496SS..THydrogen-bonded Turntrans-69.7-6.8174.776.90000114.2N161 Y165N161-S163 VanDerWaalsContact CG-OG 3.26Å; N161-S163 PolarHBondContact ND2-OG 3Å; N161-S163 PolarHBondContact O-N 3.32Å; N161-S163 PolarHBondContact OD1-N 3.44Å; N161-S163 PolarHBondContact OD1-OG 3.13Å; N161-S163 VanDerWaalsContact OD1-OG 3.09Å; S163-Y165 VanDerWaalsContact C-N 3.25Å; S163-Y165 PolarHBondContact O-N 3.17Å
164I94.3Very high92.9Very high32 Ų32103.6 Ų103.616%0.16450%0.502CS..Hα-helixtrans-65.1-30.1173.1-163.856.8000112.1E158 N161 P162 E166 K167 L168E158-I164 WeakPolarHBondContact O-CB 3.22Å; N161-I164 VanDerWaalsContact O-CB 3.3Å; N161-I164 WeakPolarHBondContact O-CB 3.46Å; N161-I164 WeakPolarHBondContact O-CG2 3.37Å; N161-I164 PolarHBondContact O-N 3.35Å; P162-I164 PolarHBondContact O-N 3.45Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 3.49Å; I164-K167 HydrophobicContact CD1-CB 4.47Å; I164-K167 HydrophobicContact CD1-CD 4.37Å; I164-K167 WeakPolarHBondContact O-CB 3.25Å; I164-K167 PolarHBondContact O-N 3.14Å; I164-K167 VanDerWaalsContact O-N 3.12Å; I164-L168 HydrophobicContact CG1-CD1 4.26Å; I164-L168 HydrophobicContact CG1-CG 4.26Å; I164-L168 HydrophobicContact CG2-CD1 4.43Å; I164-L168 WeakPolarHBondContact O-CG 3.44Å; I164-L168 PolarHBondContact O-N 3.3Å
165Y91.6Very high92.9Very high136 Ų136103.1 Ų103.153%0.53350%0.502SS..Hα-helixtrans-61.9-40.6-178.6-68.3-58.6000111.9P162 S163 K167 L168 I169P162-Y165 VanDerWaalsContact O-CD2 3.3Å; P162-Y165 WeakPolarHBondContact O-CD2 3.48Å; P162-Y165 PolarHBondContact O-N 2.73Å; S163-Y165 VanDerWaalsContact C-N 3.25Å; S163-Y165 PolarHBondContact O-N 3.17Å; Y165-K167 VanDerWaalsContact C-N 3.26Å; Y165-K167 PolarHBondContact O-N 3.26Å; Y165-L168 HydrophobicContact CD1-CD1 4.25Å; Y165-L168 PolarHBondContact O-N 3.31Å; Y165-I169 WeakPolarHBondContact O-CB 3.41Å; Y165-I169 WeakPolarHBondContact O-CD1 3.26Å; Y165-I169 WeakPolarHBondContact O-CG1 3.5Å; Y165-I169 PolarHBondContact O-N 3.12Å
166E93.2Very high92.7Very high120 Ų120103.2 Ų103.256%0.56151%0.509SS*.Hα-helixtrans-57.3-41.3175.5-171.9178.3176.900111.5I164 Q170I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 3.49Å; E166-Q170 VanDerWaalsContact O-CG 3.29Å; E166-Q170 WeakPolarHBondContact O-CG 2.98Å; E166-Q170 PolarHBondContact O-N 3.43Å; E166-Q170 VanDerWaalsContact O-N 3.16Å
167K94Very high92.4Very high137 Ų137103.3 Ų103.360%0.59651%0.514SS*.Hα-helixtrans-70.2-37.5175.5-63.9-175.1179.5-178.90112.6I164 Y165 Q170 F171I164-K167 HydrophobicContact CD1-CB 4.47Å; I164-K167 HydrophobicContact CD1-CD 4.37Å; I164-K167 WeakPolarHBondContact O-CB 3.25Å; I164-K167 PolarHBondContact O-N 3.14Å; I164-K167 VanDerWaalsContact O-N 3.12Å; Y165-K167 VanDerWaalsContact C-N 3.26Å; Y165-K167 PolarHBondContact O-N 3.26Å; K167-Q170 PolarHBondContact O-N 3.44Å; K167-F171 WeakPolarHBondContact O-CB 3.02Å; K167-F171 PolarHBondContact O-N 3.33Å
168L92.9Very high92.1Very high62 Ų6297.7 Ų97.733%0.32550%0.501SS..Hα-helixtrans-68.2-39.9178.5-69.7173.7000111.4I164 Y165 F171 C172I164-L168 HydrophobicContact CG1-CD1 4.26Å; I164-L168 HydrophobicContact CG1-CG 4.26Å; I164-L168 HydrophobicContact CG2-CD1 4.43Å; I164-L168 WeakPolarHBondContact O-CG 3.44Å; I164-L168 PolarHBondContact O-N 3.3Å; Y165-L168 HydrophobicContact CD1-CD1 4.25Å; Y165-L168 PolarHBondContact O-N 3.31Å; L168-F171 PolarHBondContact O-N 3.41Å; L168-C172 WeakPolarHBondContact O-CB 3.24Å; L168-C172 PolarHBondContact O-N 3.34Å; L168-C172 PolarHBondContact O-SG 3.18Å
169I93.1Very high92Very high40 Ų4095.4 Ų95.421%0.20549%0.494CS..Hα-helixtrans-58.5-50.3174-70.2159.7000109.5Y165 A173 I174 E176Y165-I169 WeakPolarHBondContact O-CB 3.41Å; Y165-I169 WeakPolarHBondContact O-CD1 3.26Å; Y165-I169 WeakPolarHBondContact O-CG1 3.5Å; Y165-I169 PolarHBondContact O-N 3.12Å; I169-A173 WeakPolarHBondContact O-CA 3.4Å; I169-A173 PolarHBondContact O-N 2.93Å; I169-I174 HydrophobicContact CG2-CB 4.37Å; I169-I174 WeakPolarHBondContact CG2-O 3.06Å; I169-I174 PolarHBondContact O-N 3.04Å; I169-E176 HydrophobicContact CD1-CG 3.92Å; I169-E176 HydrophobicContact CG1-CG 4.38Å; I169-E176 HydrophobicContact CG2-CG 3.63Å
170Q93.5Very high91.8Very high133 Ų133100 Ų10062%0.62152%0.522SS*.Hα-helixtrans-62.7-46.2177.2-69.5170.217.100112.7E166 K167 A173E166-Q170 VanDerWaalsContact O-CG 3.29Å; E166-Q170 WeakPolarHBondContact O-CG 2.98Å; E166-Q170 PolarHBondContact O-N 3.43Å; E166-Q170 VanDerWaalsContact O-N 3.16Å; K167-Q170 PolarHBondContact O-N 3.44Å; Q170-A173 PolarHBondContact O-N 3.29Å
171F94.3Very high91.5Very high178 Ų17899 Ų9978%0.78152%0.519SS*.Hα-helixtrans-67-40-177.3178.3-98.3000112.7K167 L168 A173K167-F171 WeakPolarHBondContact O-CB 3.02Å; K167-F171 PolarHBondContact O-N 3.33Å; L168-F171 PolarHBondContact O-N 3.41Å; F171-A173 VanDerWaalsContact C-N 3.29Å
172C92.8Very high91.2Very high73 Ų7395.8 Ų95.849%0.49350%0.502SS..THydrogen-bonded Turntrans-87.21.7178.6-65.40000112.9L168 I174L168-C172 WeakPolarHBondContact O-CB 3.24Å; L168-C172 PolarHBondContact O-N 3.34Å; L168-C172 PolarHBondContact O-SG 3.18Å; C172-I174 HydrophobicContact CB-CD1 3.62Å; C172-I174 HydrophobicContact CB-CG1 3.62Å; C172-I174 PolarHBondContact O-N 3.18Å
173A92.8Very high90.9Very high91 Ų9197 Ų9775%0.75250%0.497SS*.THydrogen-bonded Turntrans48.645.4-174.600000112.4I169 Q170 F171I169-A173 WeakPolarHBondContact O-CA 3.4Å; I169-A173 PolarHBondContact O-N 2.93Å; Q170-A173 PolarHBondContact O-N 3.29Å; F171-A173 VanDerWaalsContact C-N 3.29Å
174I91.4Very high90.4Very high93 Ų9399 Ų9948%0.47750%0.504SS..  trans-81.9131.6-179.5-63.8168.2000108.8I169 C172 E176I169-I174 HydrophobicContact CG2-CB 4.37Å; I169-I174 WeakPolarHBondContact CG2-O 3.06Å; I169-I174 PolarHBondContact O-N 3.04Å; C172-I174 HydrophobicContact CB-CD1 3.62Å; C172-I174 HydrophobicContact CB-CG1 3.62Å; C172-I174 PolarHBondContact O-N 3.18Å; I174-E176 PolarHBondContact O-N 3.35Å
175D91.2Very high90Very high84 Ų84101.5 Ų101.545%0.44952%0.516SS..  trans-79.3112.2166.7179.33000109.4L177 G178 H189D175-L177 PolarHBondContact O-N 3.46Å; D175-L177 PolarHBondContact OD1-N 3.35Å; D175-L177 VanDerWaalsContact OD1-N 3.13Å; D175-G178 VanDerWaalsContact CG-CA 3.43Å; D175-G178 PolarHBondContact O-N 3.44Å; D175-G178 PolarHBondContact OD1-N 3.38Å; D175-G178 VanDerWaalsContact OD2-CA 3.26Å; D175-G178 WeakPolarHBondContact OD2-CA 3.35Å; D175-G178 PolarHBondContact OD2-N 3.2Å; D175-H189 IonicContact OD1-CE1 2.76Å; D175-H189 PolarHBondContact OD1-CE1 3.17Å; D175-H189 IonicContact OD1-NE2 2.71Å; D175-H189 IonicContact OD2-CE1 3.78Å; D175-H189 PolarHBondContact OD2-CE1 3.04Å; D175-H189 IonicContact OD2-ND1 4Å
176E88.4Confident89.7Confident146 Ų146100.4 Ų100.468%0.68251%0.514SS*.THydrogen-bonded Turntrans-62.8-31.9-177.5-65.3-175.5-142.800113.2I169 I174I169-E176 HydrophobicContact CD1-CG 3.92Å; I169-E176 HydrophobicContact CG1-CG 4.38Å; I169-E176 HydrophobicContact CG2-CG 3.63Å; I174-E176 PolarHBondContact O-N 3.35Å
177L87.4Confident89.5Confident116 Ų11697.5 Ų97.561%0.60750%0.502SS*.THydrogen-bonded Turntrans-97.11.1176.3-60178.1000111.1D175 P188D175-L177 PolarHBondContact O-N 3.46Å; D175-L177 PolarHBondContact OD1-N 3.35Å; D175-L177 VanDerWaalsContact OD1-N 3.13Å; L177-P188 HydrophobicContact CB-CB 4.18Å; L177-P188 WeakPolarHBondContact O-CB 3.3Å; L177-P188 WeakPolarHBondContact O-CG 3.05Å
178G87.9Confident89.2Confident39 Ų3992 Ų9240%0.40248%0.481SS..  trans-60148.4-176.500000112.6D175D175-G178 VanDerWaalsContact CG-CA 3.43Å; D175-G178 PolarHBondContact O-N 3.44Å; D175-G178 PolarHBondContact OD1-N 3.38Å; D175-G178 VanDerWaalsContact OD2-CA 3.26Å; D175-G178 WeakPolarHBondContact OD2-CA 3.35Å; D175-G178 PolarHBondContact OD2-N 3.2Å
179T88.4Confident88.8Confident51 Ų5193.3 Ų93.331%0.31349%0.485SS..  trans-128.5151178.7-170.80000111.2Y181 F186 P188T179-Y181 VanDerWaalsContact OG1-CD2 3.24Å; T179-Y181 WeakPolarHBondContact OG1-CD2 3.4Å; T179-Y181 PolarHBondContact OG1-N 3.15Å; T179-F186 HydrophobicContact CG2-CD1 3.96Å; T179-P188 HydrophobicContact CG2-CG 3.65Å
180N88.2Confident88.3Confident173 Ų17394 Ų9493%0.92550%0.501SS*.SBendtrans-83.1-5.2170.5-64.2-68.5000112.1
181Y86.9Confident88Confident142 Ų14296 Ų9656%0.55750%0.504SS*.SBendtrans-73.6143.2173-67.9-63.7000110.5T179 M185T179-Y181 VanDerWaalsContact OG1-CD2 3.24Å; T179-Y181 WeakPolarHBondContact OG1-CD2 3.4Å; T179-Y181 PolarHBondContact OG1-N 3.15Å; Y181-M185 HydrophobicContact CD1-CE 3.58Å; Y181-M185 HydrophobicContact CD1-SD 4.32Å; Y181-M185 HydrophobicContact CE1-CE 4.37Å; Y181-M185 HydrophobicContact CG-CE 4.32Å
182P86.9Confident87.5Confident9 Ų990.7 Ų90.76%0.05849%0.488CS..  trans-62.1145.4169.731.3-39.1000110V102 A103 D184 M185 F186V102-P182 HydrophobicContact CG1-CB 4.31Å; A103-P182 HydrophobicContact CB-CB 4.18Å; P182-D184 VanDerWaalsContact C-OD1 3.31Å; P182-D184 WeakPolarHBondContact CB-OD1 3.45Å; P182-D184 WeakPolarHBondContact CG-OD1 3.43Å; P182-D184 PolarHBondContact O-N 3.07Å; P182-M185 HydrophobicContact CG-CB 4.3Å; P182-M185 HydrophobicContact CG-CE 3.7Å; P182-M185 PolarHBondContact O-N 3.37Å; P182-F186 PolarHBondContact O-N 2.93Å; P182-F186 VanDerWaalsContact O-N 3.1Å
183K86.1Confident87Confident125 Ų12593.6 Ų93.654%0.54350%0.495SS..THydrogen-bonded Turntrans-63.7-22.7-172.8-64.8-175.4179.8-175.40113.3Q99 M185 D187Q99-K183 HydrophobicContact CG-CD 4.39Å; K183-M185 PolarHBondContact O-N 3.09Å; K183-D187 HydrophobicContact CB-CB 4.47Å
184D83.8Confident86.5Confident100 Ų10095.1 Ų95.154%0.53549%0.49SS..THydrogen-bonded Turntrans-62.9-31.4172.969.4-40.3000112.3R110 P182R110-D184 IonicContact NH2-OD2 2.81Å; P182-D184 VanDerWaalsContact C-OD1 3.31Å; P182-D184 WeakPolarHBondContact CB-OD1 3.45Å; P182-D184 WeakPolarHBondContact CG-OD1 3.43Å; P182-D184 PolarHBondContact O-N 3.07Å
185M85.9Confident86.3Confident84 Ų8493.3 Ų93.341%0.41449%0.486SS..THydrogen-bonded Turntrans-95.1-43.6-178.4176.9163.436.200112.1Y181 P182 K183Y181-M185 HydrophobicContact CD1-CE 3.58Å; Y181-M185 HydrophobicContact CD1-SD 4.32Å; Y181-M185 HydrophobicContact CE1-CE 4.37Å; Y181-M185 HydrophobicContact CG-CE 4.32Å; P182-M185 HydrophobicContact CG-CB 4.3Å; P182-M185 HydrophobicContact CG-CE 3.7Å; P182-M185 PolarHBondContact O-N 3.37Å; K183-M185 PolarHBondContact O-N 3.09Å
186F85.3Confident86.2Confident112 Ų11293.9 Ų93.949%0.49148%0.482SS..  trans-151.1116.2177.8-175.8-114.4000110.3T179 P182 P188T179-F186 HydrophobicContact CG2-CD1 3.96Å; P182-F186 PolarHBondContact O-N 2.93Å; P182-F186 VanDerWaalsContact O-N 3.1Å; F186-P188 HydrophobicContact CD1-CG 4.05Å; F186-P188 HydrophobicContact CE1-CB 4.37Å; F186-P188 HydrophobicContact CE1-CG 3.72Å; F186-P188 HydrophobicContact CZ-CG 4.5Å
187D87.8Confident86.3Confident59 Ų5995.5 Ų95.532%0.31648%0.483SS..  trans-111.3104.6171.4-169.8-3.7000110.1K183 H189 G190K183-D187 HydrophobicContact CB-CB 4.47Å; D187-H189 PolarHBondContact O-N 3.05Å; D187-H189 VanDerWaalsContact O-N 3.15Å; D187-H189 PolarHBondContact OD1-N 3.05Å; D187-G190 PolarHBondContact O-N 3.31Å
188P87.6Confident86.3Confident23 Ų2396.5 Ų96.515%0.14949%0.485CS..THydrogen-bonded Turntrans-55.3-27.6173.7-21.930.3000113.4L177 T179 F186L177-P188 HydrophobicContact CB-CB 4.18Å; L177-P188 WeakPolarHBondContact O-CB 3.3Å; L177-P188 WeakPolarHBondContact O-CG 3.05Å; T179-P188 HydrophobicContact CG2-CG 3.65Å; F186-P188 HydrophobicContact CD1-CG 4.05Å; F186-P188 HydrophobicContact CE1-CB 4.37Å; F186-P188 HydrophobicContact CE1-CG 3.72Å; F186-P188 HydrophobicContact CZ-CG 4.5Å
189H85.1Confident86.3Confident89 Ų8995.4 Ų95.441%0.41247%0.472SS..THydrogen-bonded Turntrans-101.69.4-178.2-62.591.5000112.9D175 D187 W191D175-H189 IonicContact OD1-CE1 2.76Å; D175-H189 PolarHBondContact OD1-CE1 3.17Å; D175-H189 IonicContact OD1-NE2 2.71Å; D175-H189 IonicContact OD2-CE1 3.78Å; D175-H189 PolarHBondContact OD2-CE1 3.04Å; D175-H189 IonicContact OD2-ND1 4Å; D187-H189 PolarHBondContact O-N 3.05Å; D187-H189 VanDerWaalsContact O-N 3.15Å; D187-H189 PolarHBondContact OD1-N 3.05Å; H189-W191 PolarHBondContact O-N 3.06Å
190G83.7Confident86.4Confident53 Ų5397.8 Ų97.855%0.54648%0.482SS..  trans-72.8-5.7-176.900000114.9D187D187-G190 PolarHBondContact O-N 3.31Å
191W85.4Confident86.6Confident177 Ų17791.1 Ų91.167%0.6745%0.452SS*.  trans-76.6130.2178-61.797.9000110.8H189 Y196H189-W191 PolarHBondContact O-N 3.06Å; W191-Y196 HydrophobicContact CB-CE2 3.95Å; W191-Y196 WeakPolarHBondContact O-CE2 3.3Å
192S84.6Confident86.7Confident66 Ų6691.3 Ų91.346%0.46246%0.455SS..  trans-71.2154.3172.360.60000111.4D194 S195 Y196S192-D194 PolarHBondContact O-N 3.21Å; S192-S195 VanDerWaalsContact O-CB 3.31Å; S192-S195 WeakPolarHBondContact O-CB 3.31Å; S192-S195 PolarHBondContact O-N 2.85Å; S192-S195 PolarHBondContact OG-OG 3.42Å; S192-Y196 VanDerWaalsContact O-CD2 3.23Å; S192-Y196 WeakPolarHBondContact O-CD2 3.31Å; S192-Y196 WeakPolarHBondContact O-CE2 3.44Å
193E82.5Confident86.8Confident134 Ų13493.5 Ų93.563%0.62647%0.474SS*.G310 helixtrans-47.8-38.1176.6-169.962.5-150.300112.8S195 Y196 A199E193-S195 PolarHBondContact O-N 3.49Å; E193-Y196 PolarHBondContact O-N 3.18Å; E193-A199 WeakPolarHBondContact O-CB 3.45Å
194D83Confident87.1Confident123 Ų12393.5 Ų93.566%0.65848%0.476SS*.G310 helixtrans-65.5-18-179.9-66-25.7000114.3S192 L200S192-D194 PolarHBondContact O-N 3.21Å; D194-L200 VanDerWaalsContact O-CD2 3.31Å; D194-L200 WeakPolarHBondContact O-CD2 3.23Å; D194-L200 WeakPolarHBondContact O-CG 3.41Å
195S87.3Confident87.4Confident55 Ų5595.3 Ų95.339%0.38548%0.48SS..G310 helixtrans-84.4-15.3176.3-58.90000112.8S192 E193S192-S195 VanDerWaalsContact O-CB 3.31Å; S192-S195 WeakPolarHBondContact O-CB 3.31Å; S192-S195 PolarHBondContact O-N 2.85Å; S192-S195 PolarHBondContact OG-OG 3.42Å; E193-S195 PolarHBondContact O-N 3.49Å
196Y87.4Confident87.6Confident96 Ų9696 Ų9638%0.37648%0.484SS..SBendtrans-81.6152.9-179.1-65.2-90.3000111.6W191 S192 E193 E198 A199 L200W191-Y196 HydrophobicContact CB-CE2 3.95Å; W191-Y196 WeakPolarHBondContact O-CE2 3.3Å; S192-Y196 VanDerWaalsContact O-CD2 3.23Å; S192-Y196 WeakPolarHBondContact O-CD2 3.31Å; S192-Y196 WeakPolarHBondContact O-CE2 3.44Å; E193-Y196 PolarHBondContact O-N 3.18Å; Y196-E198 VanDerWaalsContact C-N 3.29Å; Y196-E198 PolarHBondContact O-N 3.48Å; Y196-A199 PolarHBondContact O-N 3.33Å; Y196-L200 PolarHBondContact O-N 3.33Å; Y196-L200 VanDerWaalsContact O-N 3.12Å
197Y90.1Very high87.7Confident179 Ų17996.8 Ų96.870%0.70249%0.489SS*.Hα-helixtrans-51.6-45-175.1175.1-98.2000113.3A199 L200 A201Y197-A199 PolarHBondContact O-N 2.86Å; Y197-L200 PolarHBondContact O-N 3.35Å; Y197-A201 WeakPolarHBondContact O-CB 3.4Å; Y197-A201 PolarHBondContact O-N 2.97Å
198E88.7Confident87.7Confident137 Ų13799.6 Ų99.664%0.6450%0.501SS*.Hα-helixtrans-63.2-42.9-177.2-68.4-62.2150.200112.4Y196 K202Y196-E198 VanDerWaalsContact C-N 3.29Å; Y196-E198 PolarHBondContact O-N 3.48Å; E198-K202 WeakPolarHBondContact O-CB 3.33Å; E198-K202 PolarHBondContact O-N 3.3Å
199A88.4Confident87.7Confident17 Ų17102.5 Ų102.514%0.1452%0.516CS..Hα-helixtrans-68.5-42.8178.800000111.6E193 Y196 Y197 K202 A203E193-A199 WeakPolarHBondContact O-CB 3.45Å; Y196-A199 PolarHBondContact O-N 3.33Å; Y197-A199 PolarHBondContact O-N 2.86Å; A199-K202 PolarHBondContact O-N 3.45Å; A199-A203 WeakPolarHBondContact O-CB 3.34Å; A199-A203 PolarHBondContact O-N 2.92Å
200L90.6Very high87.9Confident100 Ų100105.9 Ų105.952%0.52453%0.529SS..Hα-helixtrans-61.4-45.4175.8-69.4174.5000111.8D194 Y196 Y197 K202 A203 Q204D194-L200 VanDerWaalsContact O-CD2 3.31Å; D194-L200 WeakPolarHBondContact O-CD2 3.23Å; D194-L200 WeakPolarHBondContact O-CG 3.41Å; Y196-L200 PolarHBondContact O-N 3.33Å; Y196-L200 VanDerWaalsContact O-N 3.12Å; Y197-L200 PolarHBondContact O-N 3.35Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3Å; L200-A203 PolarHBondContact O-N 3.49Å; L200-Q204 WeakPolarHBondContact O-CB 3.26Å; L200-Q204 PolarHBondContact O-N 2.96Å
201A90.4Very high87.8Confident34 Ų34107.6 Ų107.628%0.28153%0.525SS..Hα-helixtrans-62.4-41.2177.500000111.6Y197 K205Y197-A201 WeakPolarHBondContact O-CB 3.4Å; Y197-A201 PolarHBondContact O-N 2.97Å; A201-K205 WeakPolarHBondContact O-CB 3.48Å; A201-K205 PolarHBondContact O-N 3.43Å
202K91Very high87.8Confident145 Ų145103.8 Ų103.863%0.6352%0.515SS*.Hα-helixtrans-64.9-45.1176-174.3179.9178.8-176.50111.8E198 A199 L200 K205 I206E198-K202 WeakPolarHBondContact O-CB 3.33Å; E198-K202 PolarHBondContact O-N 3.3Å; A199-K202 PolarHBondContact O-N 3.45Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3Å; K202-K205 PolarHBondContact O-N 3.12Å; K202-I206 HydrophobicContact CG-CD1 3.98Å; K202-I206 VanDerWaalsContact O-CG1 3.26Å; K202-I206 WeakPolarHBondContact O-CG1 3.48Å; K202-I206 PolarHBondContact O-N 3.41Å
203A88.8Confident87.7Confident56 Ų56106.8 Ų106.846%0.46352%0.52SS..Hα-helixtrans-61.2-46.6177.400000111.4A199 L200 K205 I206 E207A199-A203 WeakPolarHBondContact O-CB 3.34Å; A199-A203 PolarHBondContact O-N 2.92Å; L200-A203 PolarHBondContact O-N 3.49Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 3.31Å; A203-I206 PolarHBondContact O-N 2.96Å; A203-E207 PolarHBondContact O-N 3.26Å
204Q90.9Very high87.6Confident124 Ų124103 Ų10358%0.57951%0.512SS*.Hα-helixtrans-60.9-42.2177.2-172.9-178.637.900112L200 E207 M208L200-Q204 WeakPolarHBondContact O-CB 3.26Å; L200-Q204 PolarHBondContact O-N 2.96Å; Q204-E207 PolarHBondContact O-N 2.87Å; Q204-M208 WeakPolarHBondContact O-CB 3.38Å; Q204-M208 WeakPolarHBondContact O-CG 3.28Å; Q204-M208 PolarHBondContact O-N 2.98Å
205K91.1Very high87.3Confident139 Ų139104 Ų10460%0.60451%0.51SS*.Hα-helixtrans-63-45.6176.6-176.1-179.7177-176.20111.7A201 K202 A203 E207 M208 D209A201-K205 WeakPolarHBondContact O-CB 3.48Å; A201-K205 PolarHBondContact O-N 3.43Å; K202-K205 PolarHBondContact O-N 3.12Å; A203-K205 VanDerWaalsContact C-N 3.34Å; A203-K205 PolarHBondContact O-N 3.31Å; K205-E207 VanDerWaalsContact C-N 3.3Å; K205-E207 PolarHBondContact O-N 3.42Å; K205-M208 PolarHBondContact O-N 2.92Å; K205-D209 WeakPolarHBondContact O-CB 3.36Å; K205-D209 VanDerWaalsContact O-CG 3.29Å; K205-D209 PolarHBondContact O-N 3.38Å
206I90.8Very high86.7Confident99 Ų99107 Ų10751%0.50852%0.516SS..Hα-helixtrans-60.6-42.1177.7-70.3165.9000110.7K202 A203 D209 K210K202-I206 HydrophobicContact CG-CD1 3.98Å; K202-I206 VanDerWaalsContact O-CG1 3.26Å; K202-I206 WeakPolarHBondContact O-CG1 3.48Å; K202-I206 PolarHBondContact O-N 3.41Å; A203-I206 PolarHBondContact O-N 2.96Å; I206-D209 PolarHBondContact O-N 3.48Å; I206-K210 VanDerWaalsContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CB 3.15Å; I206-K210 PolarHBondContact O-N 2.93Å
207E87.1Confident85.9Confident127 Ų127107.6 Ų107.659%0.59352%0.522SS*.Hα-helixtrans-64.4-44.9177.5-172.4178.2-158.300112.1A203 Q204 K205 K210 L211A203-E207 PolarHBondContact O-N 3.26Å; Q204-E207 PolarHBondContact O-N 2.87Å; K205-E207 VanDerWaalsContact C-N 3.3Å; K205-E207 PolarHBondContact O-N 3.42Å; E207-K210 PolarHBondContact O-N 2.87Å; E207-L211 HydrophobicContact CG-CD1 4.45Å; E207-L211 PolarHBondContact O-N 3.31Å
208M87.2Confident84.6Confident118 Ų118107.9 Ų107.958%0.58152%0.522SS*.Hα-helixtrans-62-44.6175.5-80.1-68.1-16500112.2Q204 K205 K210 L211 E212Q204-M208 WeakPolarHBondContact O-CB 3.38Å; Q204-M208 WeakPolarHBondContact O-CG 3.28Å; Q204-M208 PolarHBondContact O-N 2.98Å; K205-M208 PolarHBondContact O-N 2.92Å; M208-K210 VanDerWaalsContact C-N 3.31Å; M208-K210 PolarHBondContact O-N 3.45Å; M208-L211 PolarHBondContact O-N 2.91Å; M208-E212 WeakPolarHBondContact O-CB 3.27Å; M208-E212 PolarHBondContact O-N 3.42Å
209D88.1Confident83.5Confident84 Ų84105.4 Ų105.445%0.44952%0.517SS..Hα-helixtrans-64.5-37.6177.8-73.5-13.6000111.1K205 I206 E212 K213K205-D209 WeakPolarHBondContact O-CB 3.36Å; K205-D209 VanDerWaalsContact O-CG 3.29Å; K205-D209 PolarHBondContact O-N 3.38Å; I206-D209 PolarHBondContact O-N 3.48Å; D209-E212 PolarHBondContact O-N 3.48Å; D209-K213 VanDerWaalsContact O-CB 3.27Å; D209-K213 WeakPolarHBondContact O-CB 3.39Å; D209-K213 PolarHBondContact O-N 3.26Å
210K89.4Confident82.2Confident161 Ų161112.8 Ų112.870%0.755%0.545SS*.Hα-helixtrans-65.3-42.8174.9-171178.1-178.8-178.20111.5I206 E207 M208 A214I206-K210 VanDerWaalsContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CB 3.15Å; I206-K210 PolarHBondContact O-N 2.93Å; E207-K210 PolarHBondContact O-N 2.87Å; M208-K210 VanDerWaalsContact C-N 3.31Å; M208-K210 PolarHBondContact O-N 3.45Å; K210-A214 WeakPolarHBondContact O-CB 3.32Å; K210-A214 PolarHBondContact O-N 3.33Å
211L81.9Confident80.6Confident88 Ų88114.7 Ų114.746%0.46156%0.555SS.*Hα-helixtrans-65.5-41174.8-78.9168.3000112.1E207 M208 A214 K215E207-L211 HydrophobicContact CG-CD1 4.45Å; E207-L211 PolarHBondContact O-N 3.31Å; M208-L211 PolarHBondContact O-N 2.91Å; L211-A214 PolarHBondContact O-N 3.47Å; L211-K215 WeakPolarHBondContact O-CB 3.41Å; L211-K215 VanDerWaalsContact O-CG 3.27Å; L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 2.88Å
212E83.7Confident78.9Confident98 Ų98119.9 Ų119.946%0.45857%0.573SS.*Hα-helixtrans-67.7-41.1178.4-155.5-158.4178.700111.2M208 D209 K215 K216M208-E212 WeakPolarHBondContact O-CB 3.27Å; M208-E212 PolarHBondContact O-N 3.42Å; D209-E212 PolarHBondContact O-N 3.48Å; E212-K215 PolarHBondContact O-N 2.85Å; E212-K216 VanDerWaalsContact CD-CE 3.45Å; E212-K216 HydrophobicContact CG-CD 4.41Å; E212-K216 WeakPolarHBondContact O-CB 3.27Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.41Å; E212-K216 PolarHBondContact O-N 3.32Å; E212-K216 WeakPolarHBondContact OE1-CE 3.11Å; E212-K216 IonicContact OE1-NZ 3.32Å; E212-K216 PolarHBondContact OE1-NZ 3.09Å; E212-K216 IonicContact OE2-NZ 3.13Å; E212-K216 PolarHBondContact OE2-NZ 3.44Å
213K83.6Confident77.1Confident129 Ų129122 Ų12256%0.56158%0.583SS**Hα-helixtrans-63.9-44.8174.6-170.9177.4178.1-176.20111.5D209 K215 K216 E217D209-K213 VanDerWaalsContact O-CB 3.27Å; D209-K213 WeakPolarHBondContact O-CB 3.39Å; D209-K213 PolarHBondContact O-N 3.26Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 2.93Å; K213-K216 PolarHBondContact O-N 3.4Å; K213-E217 WeakPolarHBondContact CE-OE1 3.27Å; K213-E217 WeakPolarHBondContact O-CB 3.45Å; K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 3.26Å
214A79.7Confident75.6Confident55 Ų55125.5 Ų125.546%0.45560%0.598SS.*Hα-helixtrans-63.1-38.5175.600000112.2K210 L211 E217 R218K210-A214 WeakPolarHBondContact O-CB 3.32Å; K210-A214 PolarHBondContact O-N 3.33Å; L211-A214 PolarHBondContact O-N 3.47Å; A214-E217 PolarHBondContact O-N 2.88Å; A214-R218 VanDerWaalsContact O-CB 3.3Å; A214-R218 WeakPolarHBondContact O-CB 3.39Å; A214-R218 PolarHBondContact O-N 2.81Å
215K76.9Confident73.8Confident144 Ų144126 Ų12663%0.62661%0.61SS**Hα-helixtrans-64.7-43.9173.5-76.8173.7179.8176.60112L211 E212 K213 R218 T219L211-K215 WeakPolarHBondContact O-CB 3.41Å; L211-K215 VanDerWaalsContact O-CG 3.27Å; L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 2.88Å; E212-K215 PolarHBondContact O-N 2.85Å; K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 2.93Å; K215-R218 PolarHBondContact O-N 2.71Å; K215-T219 WeakPolarHBondContact O-CG2 3.43Å; K215-T219 PolarHBondContact O-N 2.84Å; K215-T219 VanDerWaalsContact O-N 3.09Å; K215-T219 PolarHBondContact O-OG1 3.47Å
216K75.6Confident71.8Confident117 Ų117123 Ų12351%0.50962%0.618SS.*Hα-helixtrans-64.9-37176.3-73.8167.6-179.2165.90112.2E212 K213 T219 K220E212-K216 VanDerWaalsContact CD-CE 3.45Å; E212-K216 HydrophobicContact CG-CD 4.41Å; E212-K216 WeakPolarHBondContact O-CB 3.27Å; E212-K216 VanDerWaalsContact O-CG 3.27Å; E212-K216 WeakPolarHBondContact O-CG 3.41Å; E212-K216 PolarHBondContact O-N 3.32Å; E212-K216 WeakPolarHBondContact OE1-CE 3.11Å; E212-K216 IonicContact OE1-NZ 3.32Å; E212-K216 PolarHBondContact OE1-NZ 3.09Å; E212-K216 IonicContact OE2-NZ 3.13Å; E212-K216 PolarHBondContact OE2-NZ 3.44Å; K213-K216 PolarHBondContact O-N 3.4Å; K216-T219 PolarHBondContact O-OG1 3.27Å; K216-K220 WeakPolarHBondContact O-CB 3.5Å; K216-K220 PolarHBondContact O-N 3.04Å
217E69.3Low69.6Low108 Ų108125.5 Ų125.551%0.50564%0.638SS.*Hα-helixtrans-74.5-38.6176.8-73.9-178.6-177.200112K213 A214 K220K213-E217 WeakPolarHBondContact CE-OE1 3.27Å; K213-E217 WeakPolarHBondContact O-CB 3.45Å; K213-E217 WeakPolarHBondContact O-CG 3.3Å; K213-E217 PolarHBondContact O-N 3.26Å; A214-E217 PolarHBondContact O-N 2.88Å; E217-K220 PolarHBondContact O-N 3.35Å
218R64.1Low67.3Low186 Ų186129.5 Ų129.570%0.70265%0.654SS**Hα-helixtrans-61.5-44174.3-173.5-168172.6-160.8-2.4112.1A214 K215 K220A214-R218 VanDerWaalsContact O-CB 3.3Å; A214-R218 WeakPolarHBondContact O-CB 3.39Å; A214-R218 PolarHBondContact O-N 2.81Å; K215-R218 PolarHBondContact O-N 2.71Å; R218-K220 VanDerWaalsContact C-N 3.3Å; R218-K220 PolarHBondContact O-N 2.91Å
219T63.9Low65.1Low85 Ų85133.3 Ų133.352%0.52167%0.667SS.*Hα-helixtrans-74.9-18.4-179.152.50000113.5K215 K216 I221 F223K215-T219 WeakPolarHBondContact O-CG2 3.43Å; K215-T219 PolarHBondContact O-N 2.84Å; K215-T219 VanDerWaalsContact O-N 3.09Å; K215-T219 PolarHBondContact O-OG1 3.47Å; K216-T219 PolarHBondContact O-OG1 3.27Å; T219-I221 VanDerWaalsContact C-N 3.34Å; T219-F223 WeakPolarHBondContact O-CD2 3.45Å
220K62.3Low62.6Low171 Ų171132.7 Ų132.774%0.74368%0.68SS**Hα-helixtrans-74-21.2177.4-171.2172.8179.5-177.10113.6K216 E217 R218K216-K220 WeakPolarHBondContact O-CB 3.5Å; K216-K220 PolarHBondContact O-N 3.04Å; E217-K220 PolarHBondContact O-N 3.35Å; R218-K220 VanDerWaalsContact C-N 3.3Å; R218-K220 PolarHBondContact O-N 2.91Å
221I56.5Low60Low141 Ų141131 Ų13172%0.72368%0.683SS**Hα-helixtrans-86.8-20.4-174.9-62.3169.8000112.5T219T219-I221 VanDerWaalsContact C-N 3.34Å
222E54.2Low57.7Low143 Ų143132 Ų13267%0.66869%0.694SS**THydrogen-bonded Turntrans-87-1.4-176.7-71.5-171.4175.100115.2
223F53.3Low55.4Low188 Ų188134 Ų13483%0.82571%0.713SS**THydrogen-bonded Turntrans-95.59.7-175.4-87.2-80.9000116.4T219T219-F223 WeakPolarHBondContact O-CD2 3.45Å
224V57.3Low53.1Low131 Ų131135.1 Ų135.179%0.79473%0.725SS**SBendtrans-111.5-4.7-177.6179.50000115
225T54.4Low51Low133 Ų133137.6 Ų137.682%0.81675%0.745SS**  trans-119.1100.7178.7560000112.2
226G48.1Very low48.9Very low76 Ų76137.1 Ų137.178%0.78475%0.754SS**  trans169.861.917200000115.9
227T45.2Very low47.1Very low152 Ų152135.8 Ų135.893%0.93377%0.766SS**  trans-84.6105.4165.6-460000109.9
228K38.6Very low45.5Very low211 Ų211136.8 Ų136.892%0.91778%0.779SS**  trans-163143.6147.4-152.6169.9178.1-179.60113.6
229K40.6Very low44.1Very low199 Ų199133.3 Ų133.387%0.86578%0.779SS**  trans-89.9151.6-168.9166.8179.8178.4179.20114.4
230G36.3Very low42.7Very low70 Ų70135.6 Ų135.672%0.72279%0.793SS**  trans118.3147.8149.800000115.9
231T33.7Very low41.6Very low125 Ų125133 Ų13377%0.76779%0.792SS**  cis-175.8129.3-27.7-92.30000106
232T34Very low40.4Very low111 Ų111132.9 Ų132.968%0.68180%0.797SS**  trans55.4126.2146.9-50.90000123.2
233T34.9Very low39.5Very low140 Ų140130 Ų13086%0.85980%0.798SS**  179.5146.310537.90000113.6
234N36.7Very low38.6Very low152 Ų152126.2 Ų126.281%0.81380%0.795SS**  trans-61.4157.2-173.6-63.3-4.2000117.7
235A35.7Very low37.4Very low106 Ų106126.3 Ų126.388%0.87680%0.796SS**  -157.4140.1128.400000112.1
236T32.2Very low36.5Very low134 Ų134124.6 Ų124.682%0.82280%0.795SS**  trans-88.9146.7-166.8-45.50000112.6
237A36.8Very low36.1Very low90 Ų90128.1 Ų128.174%0.74480%0.801SS**  trans-172.9107.5138.800000113.4
238T35.9Very low35.8Very low129 Ų129125.3 Ų125.379%0.79179%0.793SS**  74.7101.6128.6-39.70000121.2
239T35.7Very low35.7Very low112 Ų112122.6 Ų122.669%0.68779%0.789SS**  trans-44.7137.2150.9-22.60000114.7
240T34.9Very low36Very low133 Ų133117.4 Ų117.482%0.81678%0.783SS**  trans-147.5116.9131-53.70000109
241T38.4Very low36.5Very low118 Ų118122.9 Ų122.972%0.72479%0.79SS**  trans-108.7129.8172.4-35.20000106.9
242T31.7Very low37.2Very low137 Ų137126.8 Ų126.884%0.8480%0.796SS**  trans-145.6115.9152.7-24.80000109.7
243A35.2Very low38.3Very low83 Ų83133.3 Ų133.369%0.68681%0.808SS**  trans-104144.9169.700000108.6
244S34.3Very low39.2Very low108 Ų108134.5 Ų134.576%0.75580%0.802SS**  trans-174.1101.4154.6-68.20000108.2
245T32.7Very low40.4Very low133 Ų133130.9 Ų130.982%0.81679%0.788SS**  74.5111.8104.152.90000117.5
246A35.1Very low41.3Very low97 Ų97135.7 Ų135.780%0.80279%0.789SS**  trans44.6122.9135.200000121.5
247V38.6Very low42.4Very low151 Ų151140.6 Ų140.692%0.91579%0.793SS**  trans-154.3139.8130.6-89.80000110
248A39.2Very low43Very low92 Ų92142.6 Ų142.676%0.7679%0.791SS**  trans-66.4148.717500000111.7
249D36.7Very low43.5Very low155 Ų155140.8 Ų140.883%0.82978%0.784SS**  -162.3141.7126.5-131.7-57.6000112.1
250A46.4Very low43.7Very low90 Ų90140 Ų14074%0.74479%0.788SS**  trans-86.2110.9-177.500000109.1
251Q46.9Very low44Very low185 Ų185141 Ų14186%0.86479%0.787SS**  trans-126.2121.3163.4-71.1-168.2-6900111.8
252K50Low44Very low207 Ų207140.6 Ų140.690%0.979%0.787SS**  trans-54133.6-175.4-62.9177.9176.9-1760110.6K254K252-K254 PolarHBondContact O-N 3.49Å
253R57.2Low44.5Very low247 Ų247140.7 Ų140.793%0.93279%0.787SS**  trans-60.4100.7169.3-60.3168.670.4-174.41.6108.1S255R253-S255 PolarHBondContact O-N 3.36Å
254K53.5Low44.7Very low166 Ų166142.5 Ų142.572%0.72279%0.789SS**  trans-69.2118.4163.562.3137.975.3-166.60108K252K252-K254 PolarHBondContact O-N 3.49Å
255S61.8Low45Very low76 Ų76143.6 Ų143.653%0.53179%0.792SS.*  trans-72150.1176.666.60000109.1R253 W257 D258R253-S255 PolarHBondContact O-N 3.36Å; S255-W257 PolarHBondContact O-N 3.3Å; S255-D258 PolarHBondContact O-N 3.34Å
256K53.6Low45.4Very low206 Ų206145.2 Ų145.290%0.89679%0.794SS**THydrogen-bonded Turntrans-75.433.2-173.9-158167.8170.9170.30112.8
257W55.9Low45.7Very low238 Ų238145 Ų14590%0.90279%0.792SS**THydrogen-bonded Turntrans-127.5-4.4-177.6-74.796.3000113.1S255S255-W257 PolarHBondContact O-N 3.3Å
258D49.3Very low46.1Very low132 Ų132146.4 Ų146.471%0.70679%0.789SS**  trans-126.984.5179.3-153.37000110.5S255S255-D258 PolarHBondContact O-N 3.34Å
259S47.1Very low46.1Very low90 Ų90147.9 Ų147.963%0.62979%0.79SS**  trans-145103.8159.7-710000107.2
260A40.2Very low46.2Very low95 Ų95146.7 Ų146.779%0.78579%0.789SS**PPolyproline II helixtrans-52138.1171.600000111.3P262A260-P262 WeakPolarHBondContact O-CD 3.43Å
261I40.3Very low45.7Very low155 Ų155149.9 Ų149.980%0.79579%0.792SS**PPolyproline II helixtrans-86.4119.2-178.3-52.4168.6000107.9
262P37.9Very low45.2Very low110 Ų110148.7 Ų148.771%0.71479%0.791SS**PPolyproline II helixtrans-79.6129.6159.729.3-29000109.9A260 T264A260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-T264 PolarHBondContact O-N 3.45Å
263V43.5Very low44.4Very low139 Ų139145.1 Ų145.184%0.84279%0.786SS**PPolyproline II helixtrans-59.4121.2174.2171.20000110.5
264T39.4Very low43.6Very low120 Ų120139.9 Ų139.974%0.73678%0.782SS**  trans-140.7106.8161.2270000110.4P262P262-T264 PolarHBondContact O-N 3.45Å
265T39.9Very low42.8Very low131 Ų131137.9 Ų137.980%0.80478%0.784SS**  trans29.9103.6142.354.10000118A267T265-A267 PolarHBondContact O-N 3.48Å
266I40.1Very low41.5Very low168 Ų168138.8 Ų138.886%0.86280%0.796SS**PPolyproline II helixtrans-71.9117.5169.8-66166.6000109.4
267A41.6Very low40.7Very low93 Ų93135 Ų13577%0.76979%0.79SS**PPolyproline II helixtrans-94.3128.8155.800000108T265T265-A267 PolarHBondContact O-N 3.48Å
268Q47.6Very low39.9Very low180 Ų180131.6 Ų131.684%0.84179%0.789SS**PPolyproline II helixtrans-65.7142.1-178.9-69.8175.5-21.900111.9
269P39.1Very low39.8Very low122 Ų122131.2 Ų131.279%0.79279%0.793SS**PPolyproline II helixtrans-88.4129.2164.932.4-28.6000111.5
270T38.4Very low39.3Very low130 Ų130131.3 Ų131.380%0.79880%0.8SS**PPolyproline II helixtrans-64130.7171.8-540000111.5
271I36.2Very low39.2Very low158 Ų158132.8 Ų132.881%0.8180%0.798SS**PPolyproline II helixtrans-79.2124.61730.8176.5000109.2
272L36.7Very low39.3Very low160 Ų160132.1 Ų132.184%0.83880%0.801SS**  trans-97109.2170.2-71.1172.5000109.5
273T33.3Very low39.3Very low131 Ų131132.1 Ų132.180%0.80480%0.799SS**  trans-72.9123.5168.3-61.10000109.6
274T39.1Very low39Very low137 Ų137131.9 Ų131.984%0.8480%0.798SS**  trans-124.2110.1165.729.60000110.2
275T37.5Very low39Very low125 Ų125131.4 Ų131.477%0.76780%0.795SS**  trans-70.1130.5166.6-77.60000109.3
276A35Very low39.5Very low95 Ų95131.4 Ų131.479%0.78580%0.795SS**  trans-90.1126.717900000111.9
277T36.7Very low39.5Very low125 Ų125128.6 Ų128.677%0.76779%0.79SS**  trans-143.3109.9157.336.10000111
278L39.4Very low39.5Very low168 Ų168129.2 Ų129.288%0.8880%0.795SS**  trans64.8148.2154.6-56.2177.3000121
279P47.3Very low39Very low124 Ų124126.6 Ų126.681%0.80580%0.797SS**  trans-99.1130.9-162.436.3-28.6000113.2
280A35.9Very low39.2Very low92 Ų92124.1 Ų124.176%0.7679%0.794SS**  trans-148.7118167.100000112.4
281V38.5Very low39.4Very low125 Ų125123.7 Ų123.776%0.75880%0.796SS**  trans50102.3148.4-170.70000117.4T283V281-T283 HydrophobicContact CG1-CG2 4.25Å; V281-T283 PolarHBondContact O-N 2.84Å
282V41.3Very low39.9Very low141 Ų141125.8 Ų125.886%0.85580%0.799SS**  trans-84.7102.5164.7-176.10000109.3
283T38.8Very low40.1Very low110 Ų110124.1 Ų124.168%0.67580%0.796SS**  trans-79.3127.3164.142.10000110.4V281 T285V281-T283 HydrophobicContact CG1-CG2 4.25Å; V281-T283 PolarHBondContact O-N 2.84Å; T283-T285 PolarHBondContact O-N 3.49Å
284V37.7Very low40.9Very low134 Ų134123.8 Ų123.881%0.81279%0.794SS**  trans-78107.7174.2-175.50000108.8
285T38.7Very low41.3Very low110 Ų110123 Ų12368%0.67579%0.789SS**  trans-110.1109.8169.3-56.80000109.7T283 S287T283-T285 PolarHBondContact O-N 3.49Å; T285-S287 PolarHBondContact O-N 3.03Å
286T50.6Low41.7Very low132 Ų132124.2 Ų124.281%0.8179%0.789SS**  trans-72.5112.8165.5480000109.6
287S38.9Very low42.6Very low108 Ų108124 Ų12476%0.75578%0.782SS**  trans-119.6102169.4-58.50000109.1T285T285-S287 PolarHBondContact O-N 3.03Å
288A42.9Very low43.3Very low106 Ų106123 Ų12388%0.87679%0.787SS**  trans-74.8128.3170.400000110.1
289S37.3Very low43.6Very low125 Ų125120.3 Ų120.387%0.87478%0.776SS**  trans-154.6129.3153.3-169.80000108.6
290G42.3Very low43.3Very low71 Ų71117.8 Ų117.873%0.73277%0.773SS**  trans-85.5141-157.300000115.5
291S42.7Very low43.8Very low120 Ų120119.6 Ų119.684%0.83978%0.775SS**SBendtrans-160.1111.9133.6-130000109.6
292K46.2Very low44.3Very low202 Ų202121.5 Ų121.588%0.87878%0.779SS**  trans44.687.1160.9-57178.9-174.5175.10117.2T294K292-T294 PolarHBondContact O-N 3.3Å
293T41.9Very low44.7Very low125 Ų125120.9 Ų120.977%0.76778%0.776SS**  trans-60.9119.8162.6-91.80000110.6V295T293-V295 HydrophobicContact CG2-CB 4.42Å; T293-V295 HydrophobicContact CG2-CG2 3.3Å
294T50.1Low45.3Very low124 Ų124125.2 Ų125.276%0.76179%0.785SS**  trans-98.7102.7154.6-62.70000106.3K292 I296K292-T294 PolarHBondContact O-N 3.3Å; T294-I296 HydrophobicContact CG2-CG1 4.4Å; T294-I296 PolarHBondContact O-N 3.45Å; T294-I296 VanDerWaalsContact O-N 3.14Å
295V46.9Very low45.6Very low121 Ų121128.7 Ų128.773%0.73379%0.789SS**  trans-69.7105.8170.9-177.40000107.1T293 S297T293-V295 HydrophobicContact CG2-CB 4.42Å; T293-V295 HydrophobicContact CG2-CG2 3.3Å; V295-S297 PolarHBondContact O-N 3.47Å
296I47Very low46Very low150 Ų150127.9 Ų127.977%0.76979%0.794SS**  trans-78.5105.3167.7-57.1173.9000106.3T294 A298T294-I296 HydrophobicContact CG2-CG1 4.4Å; T294-I296 PolarHBondContact O-N 3.45Å; T294-I296 VanDerWaalsContact O-N 3.14Å; I296-A298 PolarHBondContact O-N 3.36Å
297S53Low45.8Very low92 Ų92131.4 Ų131.464%0.64380%0.798SS**  trans-67.3116.5173.2-171.60000109.4V295 V299V295-S297 PolarHBondContact O-N 3.47Å; S297-V299 PolarHBondContact O-N 3Å
298A52.7Low45.9Very low104 Ų104138.9 Ų138.986%0.8682%0.821SS**  trans-81.549.1177.100000112.2I296I296-A298 PolarHBondContact O-N 3.36Å
299V44.3Very low46Very low110 Ų110140.6 Ų140.667%0.66782%0.818SS**  trans-119.690.3170.6-177.80000108.1S297 T301S297-V299 PolarHBondContact O-N 3Å; V299-T301 PolarHBondContact O-N 3.36Å
300G42.1Very low46.5Very low72 Ų72141.4 Ų141.474%0.74282%0.815SS**  trans-66.1113170.900000110.4I302G300-I302 PolarHBondContact O-N 3.23Å
301T46.8Very low46.7Very low130 Ų130145.3 Ų145.380%0.79882%0.82SS**  trans-83.5106.6168.4180000108.9V299 V303V299-T301 PolarHBondContact O-N 3.36Å; T301-V303 PolarHBondContact O-N 3.28Å
302I48.6Very low47Very low165 Ų165146.8 Ų146.885%0.84682%0.819SS**  trans-82.3104.8173.1-48.6167.4000107.6G300 K304G300-I302 PolarHBondContact O-N 3.23Å; I302-K304 PolarHBondContact O-N 3.14Å
303V49.2Very low47Very low128 Ų128143.3 Ų143.378%0.77682%0.815SS**  trans-77.8107.3170179.60000108.5T301 K305T301-V303 PolarHBondContact O-N 3.28Å; V303-K305 PolarHBondContact O-N 3.34Å
304K51.2Low47.4Very low200 Ų200144.5 Ų144.587%0.8782%0.818SS**PPolyproline II helixtrans-65117.7165.2-89.5178.9172.7167.80108.9I302I302-K304 PolarHBondContact O-N 3.14Å
305K45.3Very low47.2Very low208 Ų208146 Ų14690%0.90482%0.822SS**PPolyproline II helixtrans-94.1122.6163.9-155.6-180-176.6-1780109.6V303V303-K305 PolarHBondContact O-N 3.34Å
306A46.5Very low47.2Very low93 Ų93147.9 Ų147.977%0.76983%0.829SS**PPolyproline II helixtrans-73.3154.7179.300000112.5
307K45.9Very low47.2Very low206 Ų206147.8 Ų147.890%0.89683%0.834SS**PPolyproline II helixtrans-65.4127.1173.2-174.4173.2-177.9176.70110.5
308Q41.3Very low46.7Very low265 Ų265152.8 Ų152.8100%1.23885%0.851SS**  trans-130.80151.4-101.4-171.9-22.800107

Retrieved 308 of 308 residues in 111 ms (Link to these results)