A0A087X7S9_POEFO Loading...

Zinc finger protein 395b

AlphaFold DB , UniProt , Accession A0A087X7S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 442 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
1M37.2Very low41.3Very low243 Ų243120.9 Ų120.9100%1.19784%0.835SS**  098.90-76.5162.517000106.7
2A38.8Very low41.1Very low98 Ų98123.4 Ų123.481%0.8184%0.842SS**  84.598.5113.200000111.2
3A41.5Very low41.1Very low90 Ų90119.5 Ų119.574%0.74484%0.836SS**  95.5104.979.600000110.5
4M48.8Very low41.9Very low188 Ų188121.1 Ų121.193%0.92684%0.841SS**  88.3134.8106.9-69.7-69.4-173.400113.5
5G38.1Very low41.6Very low69 Ų69117.8 Ų117.871%0.71184%0.835SS**  trans-68.9-150.8171.600000112.7
6P61.3Low41.4Very low119 Ų119124.7 Ų124.777%0.77384%0.836SS**  cis-148.4-170.611.846-25000115.4
7E42.3Very low41.4Very low173 Ų173123.9 Ų123.981%0.80883%0.827SS**  trans56.3139.9144.3-54.4-117.993.200124
8S41.4Very low41.2Very low119 Ų119124.2 Ų124.283%0.83283%0.825SS**  trans85127.2137.268.20000121.6
9G34.8Very low40.9Very low77 Ų77122.8 Ų122.879%0.79482%0.817SS**  100.8106.1111.700000118.5
10G34.4Very low40.3Very low87 Ų87123.5 Ų123.590%0.89782%0.823SS**  80.4132.7124.700000120.2
11G36Very low40.1Very low67 Ų67129 Ų12969%0.69183%0.826SS**  trans119.6101.5137.800000118.4
12T39Very low40Very low151 Ų151124.5 Ų124.593%0.92681%0.812SS**  trans43.2108.8131.818.30000119
13G40.5Very low39.6Very low73 Ų73123.1 Ų123.175%0.75381%0.808SS**  124.1-171.375.100000109.4
14P52.5Low39.4Very low141 Ų141126.9 Ų126.992%0.91681%0.81SS**  cis-119.3163.9-46.937.6-23.6000111.8
15G37.9Very low38.7Very low72 Ų72125.5 Ų125.574%0.74280%0.801SS**  trans-174.865.1177.300000117.2
16R37.8Very low38.4Very low228 Ų228129.1 Ų129.186%0.8680%0.804SS**  trans45.5100.8143.7-74.7-178.789.6-167.47.9117.6
17T41.1Very low37.1Very low111 Ų111126.8 Ų126.868%0.68180%0.802SS**  71.9133.290.758.50000112.3
18V37.8Very low37.6Very low129 Ų129124.4 Ų124.478%0.78280%0.801SS**  cis-177.8168.525.2-112.10000104.7
19S36.3Very low37.3Very low98 Ų98124.8 Ų124.869%0.68580%0.798SS**  cis-173.1151.20.4-113.30000105.8
20C28.6Very low37.2Very low137 Ų137127.1 Ų127.193%0.92680%0.797SS**  trans-138.2132.9143.3-85.80000108.7
21R37.2Very low37.2Very low239 Ų239126.5 Ų126.590%0.90278%0.784SS**  trans-75.8152.1-175.5-72.2175.3160.8-170.9-5.5112.4
22V33.3Very low37.1Very low148 Ų148131.8 Ų131.890%0.89779%0.79SS**  trans-149.6131.8137.7161.10000109.6
23G32.2Very low36.9Very low70 Ų70130.3 Ų130.372%0.72279%0.786SS**  trans74.4158.4147.500000117
24Q36.8Very low36.6Very low169 Ų169130 Ų13079%0.7978%0.783SS**  cis-177.3155.6-16.4-164.6176.49.500103.1
25Q33.5Very low35.9Very low159 Ų159133.7 Ų133.774%0.74378%0.779SS**  trans76.1145.5167-38.4-168.49800113.7
26D32Very low35.8Very low145 Ų145137 Ų13778%0.77578%0.775SS**  cis-160.5156.228.8-98.3-59.8000109.8
27G33.3Very low35.7Very low69 Ų69132.6 Ų132.671%0.71177%0.768SS**  85.9157.4128.600000120.3
28P54Low35.3Very low124 Ų124132.7 Ų132.781%0.80576%0.764SS**  trans-114.2-168.3-142.932.8-14.9000113.1
29V33.5Very low35Very low126 Ų126132.5 Ų132.576%0.76476%0.755SS**  trans119.291.3156.9-179.50000114.4
30T33.4Very low34.8Very low126 Ų126134.8 Ų134.877%0.77375%0.754SS**  97.1127.6119.3-53.50000121.1
31A34.7Very low35.1Very low74 Ų74134.3 Ų134.361%0.61275%0.747SS**  trans93.1107.8144.200000120.6
32H34.1Very low35.8Very low178 Ų178127.9 Ų127.982%0.82474%0.737SS**  57.5111.7123-69.9-86000118.2
33S34.4Very low35.9Very low120 Ų120128.1 Ų128.184%0.83973%0.732SS**  168.2149.681.2-1080000112
34G35.2Very low35.7Very low68 Ų68133.1 Ų133.170%0.70174%0.737SS**  trans93.682.6160.400000114.9
35R36.5Very low35.5Very low218 Ų218130.4 Ų130.482%0.82373%0.732SS**  50.2123.375.4-92.8-154.9170.3-143.77.1111.5
36E35.5Very low36.4Very low141 Ų141128.6 Ų128.666%0.65973%0.734SS**  cis-151.1144.628.3-74.5-76.457.500112.9
37L35.7Very low36.3Very low135 Ų135126.5 Ų126.571%0.70774%0.736SS**  trans-55.2138.3157.5-117.682.1000110.7
38N32.9Very low36.1Very low114 Ų114128.3 Ų128.361%0.6174%0.738SS**  85.4152.375.2-169.124.5000113.7
39Q33.1Very low35.2Very low124 Ų124127.9 Ų127.958%0.57973%0.733SS**  trans80.5146156.3-44.8-169.6116.800116
40Q31.2Very low35.1Very low146 Ų146130.4 Ų130.468%0.68274%0.736SS**  cis-174.1154.2-13.7-105141.318.100104
41T34.1Very low35Very low127 Ų127129 Ų12978%0.77974%0.738SS**  trans-17175.6153.2330000119.3
42P53.4Low34.9Very low104 Ų104133.3 Ų133.368%0.67575%0.745SS**  cis-139.4-172-48.639.1-18.9000113.5
43L33.9Very low34.9Very low154 Ų154133.7 Ų133.781%0.80674%0.744SS**  trans74.8120.2158.9-58.9173.4000121.4
44H29Very low34.9Very low175 Ų175132.6 Ų132.681%0.8174%0.743SS**  177.4154106.2-121.1-99.1000113.4
45T32.4Very low34.9Very low112 Ų112140 Ų14069%0.68776%0.756SS**  trans-66.5-163.3-174.653.70000117.5
46P52.1Low34.6Very low121 Ų121133.2 Ų133.279%0.78675%0.754SS**  cis-137.6175.5-17.2240.7000116.4
47A29.4Very low34.7Very low100 Ų100135 Ų13583%0.82676%0.762SS**  trans155.2142.9141.200000110
48S28.9Very low34.7Very low108 Ų108137.9 Ų137.976%0.75577%0.771SS**  cis-171.3163.9-3-174.80000108.4
49V35.3Very low35Very low114 Ų114140.9 Ų140.969%0.69178%0.781SS**  trans92.8108.8154.5-158.40000122.2
50Q32.7Very low35.1Very low180 Ų180146.5 Ų146.584%0.84180%0.797SS**  trans52.5120.8143.1-64.9177.4-0.400121.6
51A31.7Very low35.3Very low97 Ų97145 Ų14580%0.80280%0.798SS**  66.1131.773.600000113.1
52E31.7Very low35.3Very low164 Ų164148.4 Ų148.477%0.76680%0.802SS**  cis-154.8138.58.7-106.8-158.799.700106.4
53K34.8Very low34.7Very low185 Ų185149.4 Ų149.480%0.80481%0.807SS**  82.5127.290.6-146.2176.2-170.4177.50117.5
54A33.4Very low34.8Very low98 Ų98147.8 Ų147.881%0.8181%0.808SS**  trans113.3139.1143.800000120.7
55F36.1Very low34.9Very low223 Ų223143.3 Ų143.398%0.97881%0.809SS**  trans-64.8158.7-175.8-89.4-115.2000115.9
56G30.1Very low35Very low75 Ų75149.7 Ų149.777%0.77382%0.821SS**  trans173.9128.8158.300000115.8
57H36.9Very low34.2Very low180 Ų180146.8 Ų146.883%0.83381%0.813SS**  trans-55.9158.8178.2-82-112.7000115.9
58H36Very low34.5Very low194 Ų194149.3 Ų149.390%0.89881%0.813SS**  179.2139.1119.4-97-72000114.8
59H38.3Very low34.7Very low178 Ų178154.2 Ų154.282%0.82482%0.821SS**  trans-58.6147.4168.9-104.8-108.7000114
60R35.4Very low34.6Very low241 Ų241153.3 Ų153.391%0.90983%0.825SS**  trans-153.1121.2144.2-147.3174.3-168.4-121.65.4113.9
61T36.6Very low34.8Very low115 Ų115149.3 Ų149.371%0.70682%0.823SS**  trans-65.3150.3168.849.60000113.2
62K33.8Very low35.9Very low199 Ų199150.1 Ų150.187%0.86582%0.82SS**  -170.7142.4122.3-150.6160.5176.8176.70113.7
63T39.6Very low35.8Very low125 Ų125149.3 Ų149.377%0.76782%0.82SS**  trans-88.6149.5179.352.70000113.6
64S37Very low35.9Very low120 Ų120148.6 Ų148.684%0.83982%0.82SS**  trans178.2123.9146.851.50000107.3
65G31.7Very low35.8Very low81 Ų81150.5 Ų150.584%0.83582%0.816SS**  cis95.478.130.300000109.7
66W33.1Very low35.8Very low245 Ų245148.3 Ų148.393%0.92881%0.811SS**  trans-134.8112168.6-129.6-33.9000109.4
67G35.1Very low36Very low60 Ų60147.8 Ų147.862%0.61981%0.806SS**  trans-105.4159.6158.300000109.1
68N35.8Very low35.9Very low154 Ų154146.8 Ų146.882%0.82481%0.813SS**  trans-164.5136.6147.9-86.9-39.6000110.4
69F34.1Very low36Very low210 Ų210142 Ų14292%0.92181%0.807SS**  trans-99145175.3-75.1-90.6000111.2
70A33.5Very low36.1Very low95 Ų95140.4 Ų140.479%0.78581%0.81SS**  trans48.1119.314100000124.4
71A35.7Very low36.1Very low97 Ų97136.8 Ų136.880%0.80280%0.803SS**  29.5178.1128.900000122.8
72P54.7Low36.5Very low114 Ų114139.4 Ų139.474%0.7481%0.812SS**  cis-138171.8-11.437.8-18.3000116.5
73L30.3Very low36.6Very low146 Ų146133.8 Ų133.876%0.76480%0.798SS**  trans155.3118131.8-92.1169.5000116.5
74Q37.2Very low36.8Very low170 Ų170133.6 Ų133.679%0.79480%0.801SS**  trans27.8128.6137.1-56.4-179.83800123.3
75N31.2Very low37.4Very low138 Ų138136 Ų13674%0.73880%0.802SS**  -178160.697.8-152.515.3000113.7
76M36.7Very low38.5Very low177 Ų177137.1 Ų137.187%0.87279%0.794SS**  trans-53.5160.9-169.5-59.4161177.300118
77G33.1Very low39.2Very low64 Ų64131.7 Ų131.766%0.6679%0.79SS**  cis177-174.54.900000113.2
78T35.8Very low39.4Very low160 Ų160140.2 Ų140.298%0.98280%0.804SS**  trans85.6141.3172.870.70000119.6
79A38Very low39.8Very low93 Ų93136.7 Ų136.777%0.76980%0.803SS**  trans-116.6144.3-143.600000113.5
80T39.7Very low40Very low145 Ų145134 Ų13489%0.8980%0.799SS**  trans-141115.2143.345.20000108.5
81H34.8Very low40.5Very low164 Ų164135.6 Ų135.676%0.75980%0.799SS**  trans-86.7118.8-174.5-176-99.3000110S83H81-S83 PolarHBondContact CE1-OG 3.17Å; H81-S83 PolarHBondContact ND1-OG 3.32Å; H81-S83 PolarHBondContact O-N 3.07Å
82L45.1Very low40.9Very low170 Ų170136.8 Ų136.889%0.8980%0.798SS**  trans-73.1101.8166.5-81.2143000108.9
83S37.2Very low40.3Very low82 Ų82141.8 Ų141.857%0.57380%0.804SS**  trans-91.3104.2173-68.20000111.2H81H81-S83 PolarHBondContact CE1-OG 3.17Å; H81-S83 PolarHBondContact ND1-OG 3.32Å; H81-S83 PolarHBondContact O-N 3.07Å
84S44Very low40.7Very low121 Ų121138.8 Ų138.885%0.84680%0.795SS**PPolyproline II helixtrans-63.9127.2156.9-71.50000109.9
85M48.5Very low40.8Very low171 Ų171139.2 Ų139.284%0.84280%0.795SS**PPolyproline II helixtrans-86.8138-178.7-76.9-76.7176.400112.1
86P54Low41.6Very low104 Ų104140.4 Ų140.468%0.67579%0.789SS**PPolyproline II helixtrans-82.2161.9171.733-32.7000112.7
87P48.2Very low41.9Very low131 Ų131135.1 Ų135.185%0.85177%0.769SS**PPolyproline II helixtrans-69.4151.8176.228.9-32.6000112.4
88R40.8Very low43Very low239 Ų239136.8 Ų136.890%0.90277%0.768SS**PPolyproline II helixtrans-71143-169.6-59.4176.7-170.9-153.41111.7D90R88-D90 PolarHBondContact O-N 2.97Å
89G43.9Very low43.8Very low79 Ų79137 Ų13781%0.81476%0.758SS**PPolyproline II helixtrans-60.9127.4173.800000112.8
90D37.9Very low44.6Very low155 Ų155134.7 Ų134.783%0.82974%0.737SS**PPolyproline II helixtrans-98.9133.7146.9-90.5-50.7000107.6R88R88-D90 PolarHBondContact O-N 2.97Å
91T43.4Very low45.5Very low127 Ų127129.7 Ų129.778%0.77971%0.706SS**PPolyproline II helixtrans-51130.3169.545.20000110.6Y93T91-Y93 PolarHBondContact O-N 2.98Å
92P43.7Very low46.8Very low122 Ų122128 Ų12879%0.79270%0.698SS**  trans-72.6107.717529.1-30.4000108.5S94P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.34Å
93Y43.8Very low48.1Very low220 Ų220126.2 Ų126.286%0.86369%0.687SS**  trans-64.4102154.6-163-98.2000105.7T91 F95T91-Y93 PolarHBondContact O-N 2.98Å; Y93-F95 PolarHBondContact O-N 3.17Å
94S37.8Very low50.2Low83 Ų83126.9 Ų126.958%0.5868%0.684SS**  trans-63.296.7-177.8-173.80000108.8P92 R96P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 3.34Å; S94-R96 PolarHBondContact O-N 3.18Å
95F39.5Very low52Low178 Ų178127.1 Ų127.178%0.78167%0.672SS**  trans-72.685.9162.1-138.4-88.9000105.9Y93 S97Y93-F95 PolarHBondContact O-N 3.17Å; F95-S97 PolarHBondContact O-N 3.47Å
96R47.8Very low53.5Low164 Ų164123.4 Ų123.462%0.61965%0.654SS**  trans-58.3126.9163.9-77.2-83-175.7-161.11.3106.4S94 V101S94-R96 PolarHBondContact O-N 3.18Å; R96-V101 HydrophobicContact CB-CG2 3.4Å; R96-V101 HydrophobicContact CG-CG2 4.24Å
97S43.2Very low55.3Low65 Ų65122.6 Ų122.646%0.45564%0.643SS.*  trans-50134.3172.5176.30000108.8F95 E99 S100F95-S97 PolarHBondContact O-N 3.47Å; S97-E99 PolarHBondContact O-N 3Å; S97-S100 PolarHBondContact N-OG 2.84Å; S97-S100 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 2.79Å
98P55.4Low57.3Low99 Ų99118.6 Ų118.664%0.64362%0.621SS**Hα-helixtrans-50.2-32.7176.4-26.633.9000112.8S100P98-S100 PolarHBondContact O-N 2.8Å
99E53.3Low59.4Low164 Ų164109.6 Ų109.677%0.76660%0.598SS**Hα-helixtrans-73.3-23.5179.1-139.889.2170.500114.2S97S97-E99 PolarHBondContact O-N 3Å
100S53.8Low61.5Low46 Ų46111.1 Ų111.132%0.32259%0.585SS.*Hα-helixtrans-91.2-9-176.563.50000113.6S97 P98S97-S100 PolarHBondContact N-OG 2.84Å; S97-S100 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 2.79Å; P98-S100 PolarHBondContact O-N 2.8Å
101V58.9Low63.8Low40 Ų40107.7 Ų107.724%0.24257%0.569CS.*Hα-helixtrans-92.8-32.3-175.7174.40000110.7R96 M103 E105R96-V101 HydrophobicContact CB-CG2 3.4Å; R96-V101 HydrophobicContact CG-CG2 4.24Å; V101-M103 PolarHBondContact O-N 2.72Å; V101-E105 HydrophobicContact CG1-CG 3.77Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.27Å; V101-E105 VanDerWaalsContact O-CB 3.27Å; V101-E105 WeakPolarHBondContact O-CB 3.2Å; V101-E105 VanDerWaalsContact O-CG 3.24Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 3.45Å
102E63.1Low65.7Low127 Ų127107.1 Ų107.159%0.59356%0.561SS**Hα-helixtrans-68.5-39.5-173.4-171.7167.3-176.100113.8I106E102-I106 HydrophobicContact CG-CD1 4.01Å; E102-I106 VanDerWaalsContact O-CG1 3.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.39Å; E102-I106 PolarHBondContact O-N 2.9Å; E102-I106 VanDerWaalsContact O-N 3.17Å
103M71.8Confident67.5Low133 Ų133105.2 Ų105.266%0.65555%0.547SS*.Hα-helixtrans-68.7-40.9-179.6-170.865.881.100111.8V101 M107V101-M103 PolarHBondContact O-N 2.72Å; M103-M107 HydrophobicContact CG-CE 4.09Å; M103-M107 WeakPolarHBondContact O-CG 3.27Å; M103-M107 PolarHBondContact O-N 3.21Å
104D82.1Confident69.1Low96 Ų9699 Ų9951%0.51354%0.536SS..Hα-helixtrans-78.2-31-178.6-72.3-12.9000111.8M107 A108D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; D104-A108 WeakPolarHBondContact O-CA 3.21Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.28Å
105E81.1Confident70.9Confident126 Ų126101.1 Ų101.159%0.58954%0.54SS*.Hα-helixtrans-70.4-39.4175.5-78.6-177.5174.200112.5V101 A108 A109V101-E105 HydrophobicContact CG1-CG 3.77Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.27Å; V101-E105 VanDerWaalsContact O-CB 3.27Å; V101-E105 WeakPolarHBondContact O-CB 3.2Å; V101-E105 VanDerWaalsContact O-CG 3.24Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 3.45Å; E105-A108 PolarHBondContact O-N 2.83Å; E105-A109 VanDerWaalsContact O-CB 3.22Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.49Å
106I80.9Confident72.2Confident93 Ų9397 Ų9748%0.47753%0.533SS..Hα-helixtrans-68.9-43.4176.1-64.8168.2000110.3E102 A109 M110E102-I106 HydrophobicContact CG-CD1 4.01Å; E102-I106 VanDerWaalsContact O-CG1 3.3Å; E102-I106 WeakPolarHBondContact O-CG1 3.39Å; E102-I106 PolarHBondContact O-N 2.9Å; E102-I106 VanDerWaalsContact O-N 3.17Å; I106-A109 PolarHBondContact O-N 3.38Å; I106-M110 HydrophobicContact CG2-CE 4.37Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.86Å
107M90.4Very high72Confident88 Ų8893.1 Ų93.143%0.43353%0.53SS..Hα-helixtrans-63.5-42.1173.3-73.8-167.3-63.100112M103 D104 A109 M110 V111M103-M107 HydrophobicContact CG-CE 4.09Å; M103-M107 WeakPolarHBondContact O-CG 3.27Å; M103-M107 PolarHBondContact O-N 3.21Å; D104-M107 WeakPolarHBondContact OD1-CE 3.38Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 2.97Å; M107-M110 HydrophobicContact CG-CE 4.18Å; M107-M110 PolarHBondContact O-N 3.42Å; M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 2.89Å
108A90.3Very high72.3Confident47 Ų4795.2 Ų95.239%0.38855%0.545SS..Hα-helixtrans-63.4-40.8175.700000111.5D104 E105 V111 L112D104-A108 WeakPolarHBondContact O-CA 3.21Å; D104-A108 WeakPolarHBondContact O-CB 3.44Å; D104-A108 PolarHBondContact O-N 3.28Å; E105-A108 PolarHBondContact O-N 2.83Å; A108-V111 PolarHBondContact O-N 3.47Å; A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.23Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.4Å; A108-L112 PolarHBondContact O-N 3.5Å
109A85.4Confident71.8Confident50 Ų5095.9 Ų95.941%0.41355%0.549SS..Hα-helixtrans-62.2-47.7174.900000110.9E105 I106 M107 V111 L112 T113E105-A109 VanDerWaalsContact O-CB 3.22Å; E105-A109 WeakPolarHBondContact O-CB 3.49Å; E105-A109 PolarHBondContact O-N 3.49Å; I106-A109 PolarHBondContact O-N 3.38Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 2.97Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 2.99Å; A109-L112 PolarHBondContact O-N 3.43Å; A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.24Å; A109-T113 PolarHBondContact O-OG1 3.36Å
110M87.1Confident71.3Confident111 Ų11193.9 Ų93.955%0.54755%0.548SS..Hα-helixtrans-61.4-39.3176.8-71.3-170.5-59.300112.9I106 M107 S114I106-M110 HydrophobicContact CG2-CE 4.37Å; I106-M110 WeakPolarHBondContact O-CG 3.43Å; I106-M110 PolarHBondContact O-N 2.86Å; M107-M110 HydrophobicContact CG-CE 4.18Å; M107-M110 PolarHBondContact O-N 3.42Å; M110-S114 WeakPolarHBondContact O-CB 3.48Å; M110-S114 PolarHBondContact O-N 3.25Å; M110-S114 PolarHBondContact O-OG 3.5Å
111V86.8Confident70.9Confident83 Ų8397.6 Ų97.650%0.50357%0.568SS.*Hα-helixtrans-67.8-46175.7171.30000110.8M107 A108 A109 T113 S114 L115M107-V111 VanDerWaalsContact O-CG2 3.28Å; M107-V111 WeakPolarHBondContact O-CG2 3.48Å; M107-V111 PolarHBondContact O-N 2.89Å; A108-V111 PolarHBondContact O-N 3.47Å; A109-V111 VanDerWaalsContact C-N 3.34Å; A109-V111 PolarHBondContact O-N 2.99Å; V111-T113 VanDerWaalsContact C-N 3.31Å; V111-T113 PolarHBondContact O-N 3.26Å; V111-S114 CarbonylContact O-C 3.45Å; V111-S114 WeakPolarHBondContact O-CB 3.49Å; V111-S114 PolarHBondContact O-N 2.98Å; V111-S114 VanDerWaalsContact O-N 3.14Å; V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.44Å
112L84.1Confident69.9Low114 Ų114104 Ų10460%0.59760%0.595SS**Hα-helixtrans-61.4-39.3176-75.7168.5000111.7A108 A109 L115 S116A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.23Å; A108-L112 VanDerWaalsContact O-CG 3.23Å; A108-L112 WeakPolarHBondContact O-CG 3.4Å; A108-L112 PolarHBondContact O-N 3.5Å; A109-L112 PolarHBondContact O-N 3.43Å; L112-L115 PolarHBondContact O-N 3.4Å; L112-S116 WeakPolarHBondContact O-CB 3.06Å; L112-S116 PolarHBondContact O-N 2.93Å; L112-S116 PolarHBondContact O-OG 3.48Å
113T80.6Confident68.7Low83 Ų83102.6 Ų102.651%0.50960%0.6SS.*Hα-helixtrans-62.9-44.4172.8-57.10000110.9A109 V111 L115 S116 C117A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.24Å; A109-T113 PolarHBondContact O-OG1 3.36Å; V111-T113 VanDerWaalsContact C-N 3.31Å; V111-T113 PolarHBondContact O-N 3.26Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3.49Å; T113-S116 WeakPolarHBondContact CA-OG 3.4Å; T113-S116 PolarHBondContact O-N 3.05Å; T113-S116 PolarHBondContact O-OG 2.93Å; T113-C117 PolarHBondContact O-N 3.26Å
114S78.2Confident67Low89 Ų89101.9 Ų101.962%0.62261%0.605SS**Hα-helixtrans-64.8-32.6177.2-570000113.1M110 V111M110-S114 WeakPolarHBondContact O-CB 3.48Å; M110-S114 PolarHBondContact O-N 3.25Å; M110-S114 PolarHBondContact O-OG 3.5Å; V111-S114 CarbonylContact O-C 3.45Å; V111-S114 WeakPolarHBondContact O-CB 3.49Å; V111-S114 PolarHBondContact O-N 2.98Å; V111-S114 VanDerWaalsContact O-N 3.14Å
115L74.9Confident65.2Low128 Ų128103 Ų10367%0.6762%0.617SS**Hα-helixtrans-78-27.1174.7-66.6174.2000112.7V111 L112 T113V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 VanDerWaalsContact O-CG 3.29Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.44Å; L112-L115 PolarHBondContact O-N 3.4Å; T113-L115 VanDerWaalsContact C-N 3.31Å; T113-L115 PolarHBondContact O-N 3.49Å
116S66Low63Low90 Ų90105.1 Ų105.163%0.62963%0.628SS**Hα-helixtrans-79.9-17178.371.40000113.9L112 T113L112-S116 WeakPolarHBondContact O-CB 3.06Å; L112-S116 PolarHBondContact O-N 2.93Å; L112-S116 PolarHBondContact O-OG 3.48Å; T113-S116 WeakPolarHBondContact CA-OG 3.4Å; T113-S116 PolarHBondContact O-N 3.05Å; T113-S116 PolarHBondContact O-OG 2.93Å
117C45.2Very low60.7Low84 Ų84106.1 Ų106.157%0.56864%0.638SS**  trans-107.278174.4-60.60000109.6T113 P119T113-C117 PolarHBondContact O-N 3.26Å; C117-P119 WeakPolarHBondContact O-CD 3.49Å
118S48.3Very low58.1Low108 Ų108108.6 Ų108.676%0.75565%0.653SS**  trans-57119.4160.1-730000107.9V120S118-V120 PolarHBondContact O-N 2.7Å
119P46.1Very low55.9Low114 Ų114112 Ų11274%0.7467%0.671SS**  trans-66.9108.3174.926.8-30.5000107.4C117 V121C117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-V121 VanDerWaalsContact C-N 3.31Å; P119-V121 PolarHBondContact O-N 2.82Å
120V42.6Very low53.3Low121 Ų121112.4 Ų112.473%0.73368%0.68SS**  trans-59.1104.5157.5131.20000105.3S118 Q122S118-V120 PolarHBondContact O-N 2.7Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 HydrophobicContact CG1-CG 3.82Å; V120-Q122 PolarHBondContact O-N 2.75Å
121V44.5Very low51.5Low125 Ų125113.3 Ų113.376%0.75869%0.694SS**  trans-64.598.6170.2175.80000106.2P119 S123P119-V121 VanDerWaalsContact C-N 3.31Å; P119-V121 PolarHBondContact O-N 2.82Å; V121-S123 PolarHBondContact O-N 3.19Å
122Q37.8Very low49.1Very low173 Ų173114.3 Ų114.381%0.80871%0.712SS**  trans-82.5100.8161.6-73.5-170.80.800107.8V120V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 HydrophobicContact CG1-CG 3.82Å; V120-Q122 PolarHBondContact O-N 2.75Å
123S38.6Very low46.7Very low98 Ų98112.1 Ų112.169%0.68572%0.717SS**PPolyproline II helixtrans-72.4134.6162.544.50000110.3V121V121-S123 PolarHBondContact O-N 3.19Å
124P35.3Very low44.8Very low119 Ų119113.8 Ų113.877%0.77373%0.731SS**PPolyproline II helixtrans-70.3154.4168.2-14.729.7000112
125P44.8Very low42.8Very low118 Ų118114.2 Ų114.277%0.76674%0.735SS**PPolyproline II helixtrans-83.5171.8-173.336.1-34.4000112.6
126Q35.3Very low41Very low172 Ų172113.4 Ų113.480%0.80474%0.74SS**  trans84.1129.5164.4-74.5-90.7-11.300115.4
127T33.3Very low39.6Very low113 Ų113113.9 Ų113.969%0.69374%0.743SS**  cis-164.914817.1-35.30000108.6
128D35.6Very low39.3Very low140 Ų140116 Ų11675%0.74975%0.753SS**  trans-81140.2163.3-169.8-107.9000109.5
129P42.7Very low38.9Very low118 Ų118117.1 Ų117.177%0.76675%0.75SS**  -139.2140.998.120.21.9000114.3
130G31.8Very low39.1Very low59 Ų59120.2 Ų120.261%0.60876%0.757SS**  trans-66-153.9172.700000115.4
131P50.3Low39.1Very low130 Ų130122.3 Ų122.384%0.84476%0.759SS**  cis-124.9165.6-11.339.2-23.9000113.5
132A35.2Very low38.8Very low105 Ų105122.1 Ų122.187%0.86876%0.763SS**  trans150.3128.314000000114.1
133G33.4Very low38.8Very low68 Ų68117.3 Ų117.370%0.70176%0.76SS**  trans99.996.1142.100000118.9
134S40.7Very low38.7Very low117 Ų117116.9 Ų116.982%0.81877%0.771SS**  49.7132.4123-60.60000119.7
135S36.9Very low38.7Very low99 Ų99114.7 Ų114.769%0.69277%0.77SS**  cis-172.6151.414.6-79.90000110.6
136S37Very low38.7Very low111 Ų111117.5 Ų117.578%0.77677%0.773SS**  trans59.7150.6140.964.90000120.3
137S35.8Very low39.2Very low99 Ų99117.5 Ų117.569%0.69278%0.778SS**  cis173.7133.6-6.450.20000103.2
138V40.2Very low39.8Very low129 Ų129117.5 Ų117.578%0.78278%0.782SS**  -178.2122.279.5-73.40000104.1
139D38.9Very low40Very low131 Ų131118.9 Ų118.970%0.70179%0.79SS**  43.8109.379.9-148.8-90.1000115.6
140M50.3Low39.9Very low180 Ų180119.1 Ų119.189%0.88779%0.794SS**  trans-157.5113.4131-100.2-64.914800109
141E42.9Very low40Very low165 Ų165120.1 Ų120.177%0.77181%0.805SS**  trans-76.6170.4175.617416572.700112.8
142S38.1Very low39.5Very low120 Ų120119.4 Ų119.484%0.83980%0.803SS**  trans96.2125.1155.7-112.40000116.3
143G37.5Very low39.8Very low73 Ų73120.1 Ų120.175%0.75380%0.801SS**  cis154.2144.66.200000109.2
144G37Very low39.8Very low88 Ų88119.5 Ų119.591%0.90780%0.795SS**  trans91.7128.1152.100000118.1
145G35.8Very low40Very low74 Ų74124.1 Ų124.176%0.76380%0.796SS**  trans149.554.9159.100000116.5
146E45.1Very low40.1Very low177 Ų177131 Ų13183%0.82781%0.807SS**  trans-50.6131.8158.660.4-146.570.900112.4
147L44Very low40.1Very low172 Ų172129.3 Ų129.390%0.90180%0.795SS**  trans-156.4106.9145.6-52.8176.9000107.4
148S46.1Very low40.4Very low112 Ų112135.9 Ų135.978%0.78381%0.805SS**  trans-66.9137.2160.4-63.80000109.1
149D41.4Very low40.1Very low169 Ų169136.2 Ų136.290%0.90480%0.802SS**  trans-145.1128.9144.4-94.7-36.9000111.1
150S39.4Very low40.3Very low123 Ų123137.4 Ų137.486%0.8680%0.803SS**  trans-79.5139.9-175.6-65.90000110.9
151G33.7Very low39.4Very low81 Ų81132.5 Ų132.584%0.83580%0.799SS**  trans-152.263.2174.700000111.7
152S39.9Very low39Very low115 Ų115132.2 Ų132.280%0.80480%0.803SS**  trans-64.8134169.5179.20000111.2
153S41.5Very low38.8Very low119 Ų119130 Ų13083%0.83280%0.798SS**  167.5141.8117.956.80000111.8
154G34.7Very low38.8Very low55 Ų55131.5 Ų131.557%0.56780%0.797SS**  trans14343.4159.200000117.7W156G154-W156 PolarHBondContact O-NE1 2.78Å; G154-W156 VanDerWaalsContact O-NE1 3.12Å
155Y43.7Very low39Very low215 Ų215133.6 Ų133.684%0.84380%0.795SS**  trans33.2100.4134.5-173.2-98.3000120.1
156W40.1Very low38.9Very low243 Ų243134.3 Ų134.392%0.9279%0.794SS**  trans-151.174155.5-40.347.2000107.1G154 W158G154-W156 PolarHBondContact O-NE1 2.78Å; G154-W156 VanDerWaalsContact O-NE1 3.12Å; W156-W158 PolarHBondContact O-N 2.93Å
157S36.6Very low38.7Very low75 Ų75131.6 Ų131.652%0.52479%0.791SS.*  trans-68.7112.7168.3-163.70000107.6D159S157-D159 WeakPolarHBondContact CB-OD2 3.11Å; S157-D159 PolarHBondContact O-N 2.89Å; S157-D159 PolarHBondContact OG-OD2 3.16Å
158W41.1Very low38.3Very low238 Ų238128.8 Ų128.890%0.90279%0.786SS**  trans-88.388.7155.8-98.9-28000106.9W156 H160W156-W158 PolarHBondContact O-N 2.93Å; W158-H160 PolarHBondContact O-N 3Å
159D34.7Very low37.9Very low136 Ų136129.8 Ų129.873%0.72779%0.79SS**  trans-67.997.2163.1-72.8-82.3000108.6S157S157-D159 WeakPolarHBondContact CB-OD2 3.11Å; S157-D159 PolarHBondContact O-N 2.89Å; S157-D159 PolarHBondContact OG-OD2 3.16Å
160H42.2Very low37.4Very low156 Ų156126.8 Ų126.872%0.72278%0.782SS**  trans-105103.6152-74.3-52.5000107W158 N162W158-H160 PolarHBondContact O-N 3Å; H160-N162 PolarHBondContact O-N 3.25Å
161G32.7Very low37.3Very low76 Ų76126.9 Ų126.978%0.78478%0.778SS**  trans-54.1126.4176.600000111.6G163G161-G163 PolarHBondContact O-N 3.34Å
162N34.5Very low37.4Very low160 Ų160130 Ų13086%0.85678%0.78SS**  trans-62.798164.5-8479000110.1H160H160-N162 PolarHBondContact O-N 3.25Å
163G34.1Very low37.4Very low73 Ų73132.9 Ų132.975%0.75378%0.781SS**  trans-9997.4153.500000108.8G161G161-G163 PolarHBondContact O-N 3.34Å
164S36.2Very low37.3Very low104 Ų104133.5 Ų133.573%0.72778%0.78SS**  trans-61.3143171.1-59.30000111.1
165P41.4Very low37.7Very low132 Ų132138.2 Ų138.286%0.85779%0.792SS**  trans-86.4123.7164.832.5-26.1000109.1
166A34.5Very low37.4Very low90 Ų90133 Ų13374%0.74479%0.787SS**  trans-136.1158169.200000109.2
167P40.8Very low37.4Very low119 Ų119126.8 Ų126.877%0.77378%0.78SS**  trans-91.7161.2-13335.2-36.8000115.5
168S34.2Very low38Very low113 Ų113128.5 Ų128.579%0.7979%0.79SS**  trans11.9145158.8-47.90000121.1
169P38.8Very low37.9Very low134 Ų134123.2 Ų123.287%0.8778%0.779SS**  trans-108.1141.1141.734.2-28.2000112.4
170S31.8Very low38.5Very low106 Ų106124.3 Ų124.374%0.74178%0.78SS**  trans-87.5141.8-177.741.20000113.7
171V37.2Very low38.5Very low125 Ų125120 Ų12076%0.75878%0.778SS**  trans58.7125.9148.7-53.20000120.6
172T35.7Very low38.7Very low145 Ų145124.6 Ų124.689%0.8978%0.784SS**  -156.7128.7118.436.30000110.1
173E38.3Very low39.1Very low177 Ų177125 Ų12583%0.82778%0.78SS**  trans-53147.7173.9-52-89.911700113.1
174V40.4Very low39.4Very low132 Ų132130 Ų13080%0.879%0.786SS**  160.6121.9113.171.90000110.8
175D42.8Very low39.8Very low154 Ų154132.9 Ų132.982%0.82479%0.788SS**  trans-62.8123.9163.5174.472.9000110
176S36.6Very low39.6Very low106 Ų106132.9 Ų132.974%0.74178%0.78SS**  trans-168.3108.7157.9-76.70000110.4
177S40.5Very low39.8Very low111 Ų111135.4 Ų135.478%0.77678%0.776SS**  trans-61.9162148.4-146.70000108.9
178P48.9Very low39.9Very low111 Ų111138.5 Ų138.572%0.72178%0.78SS**  cis-134-175.129.631.1-4.2000111.4
179D39.7Very low39.8Very low128 Ų128136.3 Ų136.368%0.68478%0.776SS**  149.9143.669-168.629.9000108.5
180E47.8Very low39.8Very low159 Ų159138.7 Ų138.774%0.74378%0.775SS**  trans45.2124159.1-52.9-36.868.100125.4
181G42.1Very low40.1Very low66 Ų66140.6 Ų140.668%0.6877%0.772SS**  trans75.2136.8134.600000116.7
182L37.3Very low40.6Very low172 Ų172141.6 Ų141.690%0.90177%0.773SS**  cis-164.1128.349-58.9171.8000109.1
183H41.4Very low40.7Very low168 Ų168140.6 Ų140.678%0.77877%0.767SS**  trans-12.6123.4143.6168.7-77.3000116.7
184M41.5Very low40.8Very low178 Ų178136.7 Ų136.788%0.87776%0.764SS**  trans-154.2110.9137.4-65.9-164.467.800110.8
185E43.8Very low41.4Very low164 Ų164139.6 Ų139.677%0.76677%0.766SS**  trans-59.1155.3153-179.317891.200110.6
186L36.4Very low41.6Very low132 Ų132141 Ų14169%0.69177%0.765SS**  trans128.9109.6145.3-152.179000117.6
187E40.1Very low42.3Very low144 Ų144141.4 Ų141.467%0.67377%0.765SS**  trans76.6117.2138-79.7179.598.600125.6
188Q41.8Very low42.7Very low183 Ų183146 Ų14686%0.85577%0.771SS**  79.6119.5117.4-149.2100.416.500121.1
189G32.3Very low42.7Very low67 Ų67145.3 Ų145.369%0.69177%0.769SS**  trans143.980.2163.400000110.5
190E40.1Very low43.5Very low184 Ų184144 Ų14486%0.8677%0.77SS**  67.4141.899.1-158.9170.4131.400113.7
191E38.2Very low44.5Very low146 Ų146140.9 Ų140.968%0.68276%0.758SS**  trans110.782.1159.6-150.399100.500118.4
192L47.6Very low46.5Very low146 Ų146147.2 Ų147.276%0.76476%0.761SS**  trans55.195.7132.9-44.9177.8000120.1
193T36Very low49.1Very low125 Ų125140.1 Ų140.177%0.76773%0.726SS**  trans-149.184.1132.1168.90000109.5K195T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.12Å
194A40.8Very low51.7Low94 Ų94133.6 Ų133.678%0.77770%0.698SS**  trans-55.4105159.600000107.2K196A194-K196 PolarHBondContact O-N 3.29Å
195K53.8Low54.3Low193 Ų193126.4 Ų126.484%0.83966%0.661SS**  trans-6282.8160.2-77.6174172158.70106.8T193 P197T193-K195 VanDerWaalsContact C-N 3.35Å; T193-K195 PolarHBondContact O-N 3.12Å; K195-P197 WeakPolarHBondContact O-CD 3.33Å
196K47.3Very low56.8Low185 Ų185122.1 Ų122.180%0.80464%0.64SS**  trans-44.6112.2175.3-177.9167.9168.2161.30107.9A194 K198A194-K196 PolarHBondContact O-N 3.29Å; K196-K198 PolarHBondContact O-N 3.34Å
197P50Low59.8Low114 Ų114115.9 Ų115.974%0.7461%0.608SS**  trans-58.8116.4169.5-19.731.8000106.3K195 S199K195-P197 WeakPolarHBondContact O-CD 3.33Å; P197-S199 PolarHBondContact O-N 3.48Å
198K49.6Very low62.4Low206 Ų206113.1 Ų113.190%0.89660%0.597SS**  trans-67.584.4169.2-167.5122.71761730105.5K196 S200K196-K198 PolarHBondContact O-N 3.34Å; K198-S200 PolarHBondContact O-N 2.98Å
199S48Very low65Low97 Ų97107.7 Ų107.768%0.67857%0.569SS**  trans-60.5102.7-177.759.80000107.7P197 L201P197-S199 PolarHBondContact O-N 3.48Å; S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.95Å
200S56.9Low67.9Low100 Ų100109.2 Ų109.270%0.69957%0.567SS**  trans-68.297.2174.4-178.30000106.2K198 R202K198-S200 PolarHBondContact O-N 2.98Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.47Å
201L69.1Low70.4Confident95 Ų95107.1 Ų107.150%0.49757%0.572SS.*  trans-56.595.8172.9-69.2170.2000108.1S199 S203S199-L201 VanDerWaalsContact C-N 3.32Å; S199-L201 PolarHBondContact O-N 2.95Å; L201-S203 PolarHBondContact O-N 3.41Å
202R85.3Confident73.2Confident198 Ų198101.4 Ų101.475%0.74755%0.548SS*.EExtended strand (participates in β ladder)trans-68.6108.9174.1-79.9-172.6177.2147.1-0.6107.2S200 C251S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.47Å; R202-C251 WeakPolarHBondContact O-CB 3.43Å; R202-C251 PolarHBondContact O-N 2.95Å
203S90.3Very high75.3Confident24 Ų2496.3 Ų96.317%0.16853%0.531CS..EExtended strand (participates in β ladder)trans-91.6135.8176.3-58.60000109.5L201 K248 I249L201-S203 PolarHBondContact O-N 3.41Å; S203-K248 WeakPolarHBondContact OG-CE 3.47Å; S203-I249 CarbonylContact C-O 3.54Å; S203-I249 WeakPolarHBondContact CA-O 3.29Å
204V96.1Very high78.2Confident30 Ų3094.8 Ų94.818%0.18251%0.513CS..EExtended strand (participates in β ladder)trans-115.2155.7170.7-59.10000109.6V215 L216 T217 K248 I249V204-V215 HydrophobicContact CB-CG1 3.83Å; V204-V215 HydrophobicContact CG2-CG1 4.06Å; V204-L216 CarbonylContact C-O 3.52Å; V204-T217 HydrophobicContact CG1-CG2 4.31Å; V204-K248 CarbonylContact O-C 3.59Å; V204-K248 WeakPolarHBondContact O-CA 3.49Å; V204-I249 HydrophobicContact CG2-CB 3.85Å; V204-I249 HydrophobicContact CG2-CG2 4.36Å; V204-I249 PolarHBondContact N-O 3.34Å; V204-I249 PolarHBondContact O-N 2.96Å
205Y97.1Very high80.9Confident28 Ų2894 Ų9411%0.1150%0.499CS..EExtended strand (participates in β ladder)trans-126.5120.6-173.2-63.1-95.6000108.6V215 L216 I222 Y246 T247 K248Y205-V215 CarbonylContact O-C 3.6Å; Y205-V215 VanDerWaalsContact O-CA 3.27Å; Y205-V215 WeakPolarHBondContact O-CA 3.25Å; Y205-L216 WeakPolarHBondContact CB-O 3.18Å; Y205-L216 PolarHBondContact N-O 2.9Å; Y205-L216 PolarHBondContact O-N 3.34Å; Y205-I222 HydrophobicContact CD1-CG2 4.3Å; Y205-I222 HydrophobicContact CG-CG2 4.23Å; Y205-Y246 AromaticContact CD1-CD2 3.72Å; Y205-Y246 HydrophobicContact CD1-CD2 3.72Å; Y205-Y246 AromaticContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CE1-CE2 4Å; Y205-T247 WeakPolarHBondContact CA-O 3.36Å; Y205-K248 HydrophobicContact CD1-CB 3.94Å; Y205-K248 HydrophobicContact CD1-CG 4.07Å; Y205-K248 HydrophobicContact CE1-CB 3.81Å; Y205-K248 HydrophobicContact CE1-CD 3.82Å; Y205-K248 HydrophobicContact CE1-CG 3.62Å; Y205-K248 WeakPolarHBondContact OH-CE 3.19Å
206K97Very high82.9Confident73 Ų7388 Ų8832%0.31748%0.476SS..EExtended strand (participates in β ladder)trans-106.9128.3-177.3-179.3179.9178.1-170.10110.9K214 V215 Y246 T247 I249K206-K214 CarbonylContact C-O 3.57Å; K206-K214 WeakPolarHBondContact CA-O 3.46Å; K206-V215 HydrophobicContact CB-CG2 4.09Å; K206-V215 HydrophobicContact CG-CG2 3.99Å; K206-Y246 CarbonylContact O-C 3.57Å; K206-Y246 WeakPolarHBondContact O-CA 3.36Å; K206-Y246 VanDerWaalsContact O-CB 3.28Å; K206-Y246 WeakPolarHBondContact O-CB 3.35Å; K206-T247 PolarHBondContact N-O 3.25Å; K206-T247 PolarHBondContact O-N 3.06Å; K206-I249 HydrophobicContact CB-CD1 4.09Å; K206-I249 HydrophobicContact CD-CD1 4.47Å
207C97.4Very high85.2Confident2 Ų284.9 Ų84.91%0.01447%0.472CS..EExtended strand (participates in β ladder)trans-70130.3171.7-175.70000110.5C212 K214 I222 H225 Y245C207-C212 HydrophobicContact CB-CB 4.5Å; C207-K214 HydrophobicContact CB-CB 4.37Å; C207-K214 WeakPolarHBondContact CB-O 3.32Å; C207-K214 PolarHBondContact N-O 2.89Å; C207-I222 HydrophobicContact CB-CD1 3.9Å; C207-I222 HydrophobicContact CB-CG1 4.48Å; C207-H225 PolarHBondContact SG-NE2 3.48Å; C207-Y245 WeakPolarHBondContact CA-O 3.35Å
208L96.1Very high87.3Confident86 Ų8681.9 Ų81.945%0.4545%0.454SS..  trans-97.22.9-180-60.3-179.8000113.4Y245 T247L208-Y245 PolarHBondContact N-O 3.42Å; L208-T247 WeakPolarHBondContact CD1-OG1 3.35Å
209W95.6Very high89.4Confident69 Ų6973.9 Ų73.926%0.26142%0.424SS..SBendtrans-61.5138.6178.4-154.7-90.2000110.6S211 C212 H230 L231 Y245W209-S211 PolarHBondContact O-N 3.03Å; W209-C212 HydrophobicContact CB-CB 3.8Å; W209-C212 PolarHBondContact O-N 2.94Å; W209-H230 WeakPolarHBondContact CB-NE2 3.24Å; W209-H230 AromaticContact CD1-CE1 3.58Å; W209-H230 AromaticContact CD1-CG 3.75Å; W209-H230 AromaticContact CD1-ND1 3.31Å; W209-H230 VanDerWaalsContact CD1-ND1 3.31Å; W209-H230 HydrophobicContact CD2-CB 3.42Å; W209-H230 VanDerWaalsContact CD2-CB 3.42Å; W209-H230 AromaticContact CD2-CD2 3.85Å; W209-H230 AromaticContact CD2-CG 3.41Å; W209-H230 VanDerWaalsContact CD2-CG 3.41Å; W209-H230 AromaticContact CD2-ND1 3.83Å; W209-H230 AromaticContact CE2-CG 3.76Å; W209-H230 AromaticContact CE2-ND1 3.9Å; W209-H230 HydrophobicContact CE3-CB 3.49Å; W209-H230 VanDerWaalsContact CE3-CB 3.49Å; W209-H230 AromaticContact CE3-CG 3.83Å; W209-H230 HydrophobicContact CG-CB 4.03Å; W209-H230 AromaticContact CG-CD2 3.62Å; W209-H230 AromaticContact CG-CE1 3.65Å; W209-H230 AromaticContact CG-CG 3.44Å; W209-H230 VanDerWaalsContact CG-CG 3.44Å; W209-H230 AromaticContact CG-ND1 3.48Å; W209-H230 AromaticContact CG-NE2 3.76Å; W209-H230 HydrophobicContact CH2-CB 3.74Å; W209-H230 HydrophobicContact CZ2-CB 3.69Å; W209-H230 HydrophobicContact CZ3-CB 3.64Å; W209-H230 AromaticContact NE1-CG 3.93Å; W209-H230 AromaticContact NE1-ND1 3.57Å; W209-L231 HydrophobicContact CH2-CD2 4.04Å; W209-L231 HydrophobicContact CH2-CG 4.4Å; W209-L231 HydrophobicContact CZ3-CD2 4.12Å; W209-L231 HydrophobicContact CZ3-CG 4.27Å; W209-Y245 AromaticContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD2 4.34Å; W209-Y245 AromaticContact CE3-CE1 3.98Å; W209-Y245 HydrophobicContact CE3-CE1 3.98Å; W209-Y245 AromaticContact CE3-CG 3.81Å; W209-Y245 HydrophobicContact CE3-CG 3.81Å; W209-Y245 AromaticContact CZ3-CD1 3.76Å; W209-Y245 HydrophobicContact CZ3-CD1 3.76Å; W209-Y245 AromaticContact CZ3-CD2 3.95Å; W209-Y245 HydrophobicContact CZ3-CD2 3.95Å; W209-Y245 AromaticContact CZ3-CE1 3.72Å; W209-Y245 HydrophobicContact CZ3-CE1 3.72Å; W209-Y245 AromaticContact CZ3-CE2 3.91Å; W209-Y245 HydrophobicContact CZ3-CE2 3.91Å; W209-Y245 AromaticContact CZ3-CG 3.87Å; W209-Y245 HydrophobicContact CZ3-CG 3.87Å; W209-Y245 AromaticContact CZ3-CZ 3.79Å
210P94.4Very high91.6Very high99 Ų9973.3 Ų73.364%0.64342%0.416SS*.THydrogen-bonded Turntrans-49.9130.5176.6-2734000110.6C212P210-C212 PolarHBondContact O-N 3.07Å; P210-C212 VanDerWaalsContact O-N 3.16Å
211S92.1Very high93.5Very high139 Ų13969.9 Ų69.997%0.97240%0.396SS*.THydrogen-bonded Turntrans65.2-0.9-177.574.50000118.2W209W209-S211 PolarHBondContact O-N 3.03Å
212C95.6Very high94.8Very high26 Ų2665.3 Ų65.318%0.17637%0.373CS..THydrogen-bonded Turntrans-84.6-58.4-176.6-1740000113.8C207 W209 P210 K214 H225 H230C207-C212 HydrophobicContact CB-CB 4.5Å; W209-C212 HydrophobicContact CB-CB 3.8Å; W209-C212 PolarHBondContact O-N 2.94Å; P210-C212 PolarHBondContact O-N 3.07Å; P210-C212 VanDerWaalsContact O-N 3.16Å; C212-K214 PolarHBondContact O-N 2.8Å; C212-K214 VanDerWaalsContact SG-CG 3.58Å; C212-H225 PolarHBondContact SG-CE1 3.44Å; C212-H225 PolarHBondContact SG-NE2 2.8Å; C212-H230 WeakPolarHBondContact CB-NE2 3.27Å; C212-H230 PolarHBondContact SG-NE2 3.21Å
213G93.4Very high95.2Very high40 Ų4058 Ų5841%0.41235%0.346SS..  trans58.74.8177.100000117.3V215G213-V215 PolarHBondContact O-N 3.2Å
214K96.4Very high95.4Very high92 Ų9264.7 Ų64.740%0.437%0.368SS..  trans-60.3134.3-175.5-70.7-172.9-156.1179.10111.7K206 C207 C212 H225K206-K214 CarbonylContact C-O 3.57Å; K206-K214 WeakPolarHBondContact CA-O 3.46Å; C207-K214 HydrophobicContact CB-CB 4.37Å; C207-K214 WeakPolarHBondContact CB-O 3.32Å; C207-K214 PolarHBondContact N-O 2.89Å; C212-K214 PolarHBondContact O-N 2.8Å; C212-K214 VanDerWaalsContact SG-CG 3.58Å; K214-H225 VanDerWaalsContact CD-CE1 3.42Å; K214-H225 WeakPolarHBondContact CD-CE1 3.49Å
215V96.8Very high95.4Very high79 Ų7964 Ų6448%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-114.2129.5176.9-176.10000109.2V204 Y205 K206 G213V204-V215 HydrophobicContact CB-CG1 3.83Å; V204-V215 HydrophobicContact CG2-CG1 4.06Å; Y205-V215 CarbonylContact O-C 3.6Å; Y205-V215 VanDerWaalsContact O-CA 3.27Å; Y205-V215 WeakPolarHBondContact O-CA 3.25Å; K206-V215 HydrophobicContact CB-CG2 4.09Å; K206-V215 HydrophobicContact CG-CG2 3.99Å; G213-V215 PolarHBondContact O-N 3.2Å
216L96.4Very high95.3Very high67 Ų6762.7 Ų62.735%0.35136%0.357SS..EExtended strand (participates in β ladder)trans-130.1154.4178.4-65.4176.7000110.3V204 Y205 S218 G221 I222 H225V204-L216 CarbonylContact C-O 3.52Å; Y205-L216 WeakPolarHBondContact CB-O 3.18Å; Y205-L216 PolarHBondContact N-O 2.9Å; Y205-L216 PolarHBondContact O-N 3.34Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-G221 WeakPolarHBondContact CD1-O 3.28Å; L216-I222 HydrophobicContact CB-CD1 4.27Å; L216-I222 HydrophobicContact CD1-CB 4.36Å; L216-I222 HydrophobicContact CD1-CD1 3.96Å; L216-I222 HydrophobicContact CG-CD1 4.09Å; L216-H225 HydrophobicContact CD1-CB 4.18Å
217T95.3Very high95.1Very high118 Ų11863.4 Ų63.472%0.72436%0.358SS*.SBendtrans-84.9-6.4178.550.70000113.4V204V204-T217 HydrophobicContact CG1-CG2 4.31Å
218S94.6Very high94.8Very high52 Ų5268.3 Ų68.336%0.36439%0.388SS..  trans-122.8133.9-176.4174.90000111.9L216 V220 G221 I222L216-S218 VanDerWaalsContact C-N 3.32Å; S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 PolarHBondContact OG-N 2.7Å; S218-G221 PolarHBondContact O-N 3.31Å; S218-G221 PolarHBondContact OG-N 2.83Å; S218-I222 PolarHBondContact O-N 2.71Å
219S94Very high94.7Very high37 Ų3769.6 Ų69.626%0.25939%0.393SS..Hα-helixtrans-61.5-39.1171.354.80000111.6G221 I222 K223S219-G221 VanDerWaalsContact C-N 3.31Å; S219-G221 PolarHBondContact O-N 3.1Å; S219-I222 WeakPolarHBondContact O-CG2 3.48Å; S219-I222 PolarHBondContact O-N 3.3Å; S219-K223 WeakPolarHBondContact O-CB 3.48Å; S219-K223 WeakPolarHBondContact O-CG 3.44Å; S219-K223 PolarHBondContact O-N 3.38Å
220V94.6Very high94.5Very high86 Ų8668.5 Ų68.552%0.52139%0.391SS..Hα-helixtrans-66.1-40.1177.3-178.80000110.2S218 R224S218-V220 VanDerWaalsContact C-N 3.3Å; S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 PolarHBondContact OG-N 2.7Å; V220-R224 WeakPolarHBondContact O-CB 3.37Å; V220-R224 PolarHBondContact O-N 2.92Å
221G95.6Very high94.2Very high27 Ų2765.9 Ų65.928%0.27837%0.371SS..Hα-helixtrans-61.7-48.3176.500000112.6L216 S218 S219 K223 R224 H225L216-G221 WeakPolarHBondContact CD1-O 3.28Å; S218-G221 PolarHBondContact O-N 3.31Å; S218-G221 PolarHBondContact OG-N 2.83Å; S219-G221 VanDerWaalsContact C-N 3.31Å; S219-G221 PolarHBondContact O-N 3.1Å; G221-K223 PolarHBondContact O-N 3.17Å; G221-R224 PolarHBondContact O-N 3.47Å; G221-H225 WeakPolarHBondContact O-CB 3.38Å; G221-H225 PolarHBondContact O-N 3.17Å
222I96.5Very high93.4Very high0 Ų060.9 Ų60.90%034%0.342CS..Hα-helixtrans-67.2-38.3-179-156.566.8000112.2Y205 C207 L216 S218 S219 H225 I226 Y246Y205-I222 HydrophobicContact CD1-CG2 4.3Å; Y205-I222 HydrophobicContact CG-CG2 4.23Å; C207-I222 HydrophobicContact CB-CD1 3.9Å; C207-I222 HydrophobicContact CB-CG1 4.48Å; L216-I222 HydrophobicContact CB-CD1 4.27Å; L216-I222 HydrophobicContact CD1-CB 4.36Å; L216-I222 HydrophobicContact CD1-CD1 3.96Å; L216-I222 HydrophobicContact CG-CD1 4.09Å; S218-I222 PolarHBondContact O-N 2.71Å; S219-I222 WeakPolarHBondContact O-CG2 3.48Å; S219-I222 PolarHBondContact O-N 3.3Å; I222-H225 WeakPolarHBondContact O-CB 3.08Å; I222-H225 PolarHBondContact O-N 2.94Å; I222-I226 HydrophobicContact CG1-CD1 4.25Å; I222-I226 WeakPolarHBondContact O-CD1 3.4Å; I222-I226 VanDerWaalsContact O-CG1 3.25Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 3.3Å; I222-Y246 HydrophobicContact CG1-CG 4.36Å; I222-Y246 HydrophobicContact CG2-CD1 3.72Å; I222-Y246 HydrophobicContact CG2-CD2 3.96Å; I222-Y246 HydrophobicContact CG2-CE1 4.1Å; I222-Y246 HydrophobicContact CG2-CE2 4.35Å; I222-Y246 HydrophobicContact CG2-CG 3.64Å
223K94.2Very high92Very high45 Ų4566.4 Ų66.420%0.19638%0.381CS..Hα-helixtrans-66.3-44.2176.4-70.6-171.5-46.1163.50111.9S219 G221 H225 I226 R227 E242 D243 Y246S219-K223 WeakPolarHBondContact O-CB 3.48Å; S219-K223 WeakPolarHBondContact O-CG 3.44Å; S219-K223 PolarHBondContact O-N 3.38Å; G221-K223 PolarHBondContact O-N 3.17Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.5Å; K223-I226 PolarHBondContact O-N 3.49Å; K223-R227 PolarHBondContact O-N 3.21Å; K223-E242 HydrophobicContact CB-CG 4.12Å; K223-E242 HydrophobicContact CD-CG 3.91Å; K223-E242 WeakPolarHBondContact CD-OE1 3.41Å; K223-E242 HydrophobicContact CG-CG 3.93Å; K223-E242 IonicContact NZ-OE1 3.6Å; K223-D243 WeakPolarHBondContact CD-OD1 3.3Å; K223-Y246 HydrophobicContact CD-CE1 3.82Å; K223-Y246 HydrophobicContact CG-CD1 4.17Å; K223-Y246 HydrophobicContact CG-CE1 3.53Å
224R94.8Very high90.5Very high163 Ų16366.5 Ų66.562%0.61538%0.382SS*.Hα-helixtrans-59.1-43.2171.4177.3175.9-77.2165.8-3.1111.5V220 G221 I226 R227 V228V220-R224 WeakPolarHBondContact O-CB 3.37Å; V220-R224 PolarHBondContact O-N 2.92Å; G221-R224 PolarHBondContact O-N 3.47Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 3.35Å; R224-R227 PolarHBondContact O-N 3.06Å; R224-V228 HydrophobicContact CG-CG2 4.21Å; R224-V228 WeakPolarHBondContact O-CB 3.35Å; R224-V228 WeakPolarHBondContact O-CG2 3.14Å; R224-V228 PolarHBondContact O-N 3.33Å
225H95.6Very high88.9Confident16 Ų1666.1 Ų66.17%0.07439%0.39CS..Hα-helixtrans-58.9-46177.1162.151.6000111.7C207 C212 K214 L216 G221 I222 K223 M229 H230C207-H225 PolarHBondContact SG-NE2 3.48Å; C212-H225 PolarHBondContact SG-CE1 3.44Å; C212-H225 PolarHBondContact SG-NE2 2.8Å; K214-H225 VanDerWaalsContact CD-CE1 3.42Å; K214-H225 WeakPolarHBondContact CD-CE1 3.49Å; L216-H225 HydrophobicContact CD1-CB 4.18Å; G221-H225 WeakPolarHBondContact O-CB 3.38Å; G221-H225 PolarHBondContact O-N 3.17Å; I222-H225 WeakPolarHBondContact O-CB 3.08Å; I222-H225 PolarHBondContact O-N 2.94Å; K223-H225 VanDerWaalsContact C-N 3.31Å; K223-H225 PolarHBondContact O-N 3.5Å; H225-M229 VanDerWaalsContact ND1-CG 3.27Å; H225-M229 WeakPolarHBondContact ND1-CG 3.36Å; H225-M229 VanDerWaalsContact O-CB 3.23Å; H225-M229 WeakPolarHBondContact O-CB 3.4Å; H225-M229 WeakPolarHBondContact O-CG 3.43Å; H225-M229 PolarHBondContact O-N 2.79Å; H225-H230 AromaticContact CE1-CD2 4Å; H225-H230 AromaticContact CE1-NE2 3.44Å; H225-H230 PolarHBondContact CE1-NE2 2.88Å; H225-H230 AromaticContact NE2-CD2 3.78Å; H225-H230 AromaticContact NE2-NE2 3.26Å; H225-H230 PolarHBondContact NE2-NE2 3.35Å
226I94.7Very high87.5Confident0 Ų068.9 Ų68.90%040%0.403CS..Hα-helixtrans-64.2-46179.5-66.7157.8000110.8I222 K223 R224 V228 H230 L231 E242 Y245 Y246I222-I226 HydrophobicContact CG1-CD1 4.25Å; I222-I226 WeakPolarHBondContact O-CD1 3.4Å; I222-I226 VanDerWaalsContact O-CG1 3.25Å; I222-I226 WeakPolarHBondContact O-CG1 3.23Å; I222-I226 PolarHBondContact O-N 3.3Å; K223-I226 PolarHBondContact O-N 3.49Å; R224-I226 VanDerWaalsContact C-N 3.34Å; R224-I226 PolarHBondContact O-N 3.35Å; I226-V228 PolarHBondContact O-N 2.82Å; I226-H230 WeakPolarHBondContact O-CA 3.22Å; I226-H230 WeakPolarHBondContact O-CB 2.94Å; I226-H230 PolarHBondContact O-N 2.92Å; I226-L231 HydrophobicContact CG2-CD1 3.68Å; I226-L231 HydrophobicContact CG2-CG 4.2Å; I226-L231 PolarHBondContact O-N 3.48Å; I226-E242 WeakPolarHBondContact CD1-O 3.35Å; I226-E242 HydrophobicContact CG2-CB 4.29Å; I226-Y245 HydrophobicContact CG2-CD2 4.15Å; I226-Y245 HydrophobicContact CG2-CG 4.4Å; I226-Y246 HydrophobicContact CD1-CD1 3.87Å; I226-Y246 HydrophobicContact CD1-CG 4.44Å
227R92.3Very high85.9Confident88 Ų8873.5 Ų73.533%0.33242%0.422SS..Iπ-helixtrans-58.4-50.1176.9-78.9-170.3-74.51631.5112.8K223 R224 G232 E242K223-R227 PolarHBondContact O-N 3.21Å; R224-R227 PolarHBondContact O-N 3.06Å; R227-G232 CarbonylContact O-C 3.5Å; R227-G232 WeakPolarHBondContact O-CA 3.16Å; R227-G232 PolarHBondContact O-N 2.7Å; R227-E242 WeakPolarHBondContact CD-OE2 3.41Å; R227-E242 VanDerWaalsContact CG-OE2 3.23Å; R227-E242 WeakPolarHBondContact CG-OE2 3.28Å; R227-E242 IonicContact CZ-OE2 3.34Å; R227-E242 IonicContact NE-OE2 2.83Å; R227-E242 PolarHBondContact NE-OE2 2.9Å
228V92.5Very high84.6Confident105 Ų10568.2 Ų68.264%0.63639%0.39SS*.Iπ-helixtrans-76.2-39.9-172.6176.60000112.3R224 I226R224-V228 HydrophobicContact CG-CG2 4.21Å; R224-V228 WeakPolarHBondContact O-CB 3.35Å; R224-V228 WeakPolarHBondContact O-CG2 3.14Å; R224-V228 PolarHBondContact O-N 3.33Å; I226-V228 PolarHBondContact O-N 2.82Å
229M92.9Very high83.3Confident113 Ų11370.1 Ų70.156%0.55739%0.393SS*.Iπ-helixtrans-91.7-24.9-171.5-61.7-59.7-49.800113.9H225H225-M229 VanDerWaalsContact ND1-CG 3.27Å; H225-M229 WeakPolarHBondContact ND1-CG 3.36Å; H225-M229 VanDerWaalsContact O-CB 3.23Å; H225-M229 WeakPolarHBondContact O-CB 3.4Å; H225-M229 WeakPolarHBondContact O-CG 3.43Å; H225-M229 PolarHBondContact O-N 2.79Å
230H92.9Very high82.4Confident46 Ų4677.7 Ų77.721%0.21342%0.416CS..Iπ-helixtrans-125.7-41.9-166.1-62.5-44.7000114.3W209 C212 H225 I226W209-H230 WeakPolarHBondContact CB-NE2 3.24Å; W209-H230 AromaticContact CD1-CE1 3.58Å; W209-H230 AromaticContact CD1-CG 3.75Å; W209-H230 AromaticContact CD1-ND1 3.31Å; W209-H230 VanDerWaalsContact CD1-ND1 3.31Å; W209-H230 HydrophobicContact CD2-CB 3.42Å; W209-H230 VanDerWaalsContact CD2-CB 3.42Å; W209-H230 AromaticContact CD2-CD2 3.85Å; W209-H230 AromaticContact CD2-CG 3.41Å; W209-H230 VanDerWaalsContact CD2-CG 3.41Å; W209-H230 AromaticContact CD2-ND1 3.83Å; W209-H230 AromaticContact CE2-CG 3.76Å; W209-H230 AromaticContact CE2-ND1 3.9Å; W209-H230 HydrophobicContact CE3-CB 3.49Å; W209-H230 VanDerWaalsContact CE3-CB 3.49Å; W209-H230 AromaticContact CE3-CG 3.83Å; W209-H230 HydrophobicContact CG-CB 4.03Å; W209-H230 AromaticContact CG-CD2 3.62Å; W209-H230 AromaticContact CG-CE1 3.65Å; W209-H230 AromaticContact CG-CG 3.44Å; W209-H230 VanDerWaalsContact CG-CG 3.44Å; W209-H230 AromaticContact CG-ND1 3.48Å; W209-H230 AromaticContact CG-NE2 3.76Å; W209-H230 HydrophobicContact CH2-CB 3.74Å; W209-H230 HydrophobicContact CZ2-CB 3.69Å; W209-H230 HydrophobicContact CZ3-CB 3.64Å; W209-H230 AromaticContact NE1-CG 3.93Å; W209-H230 AromaticContact NE1-ND1 3.57Å; C212-H230 WeakPolarHBondContact CB-NE2 3.27Å; C212-H230 PolarHBondContact SG-NE2 3.21Å; H225-H230 AromaticContact CE1-CD2 4Å; H225-H230 AromaticContact CE1-NE2 3.44Å; H225-H230 PolarHBondContact CE1-NE2 2.88Å; H225-H230 AromaticContact NE2-CD2 3.78Å; H225-H230 AromaticContact NE2-NE2 3.26Å; H225-H230 PolarHBondContact NE2-NE2 3.35Å; I226-H230 WeakPolarHBondContact O-CA 3.22Å; I226-H230 WeakPolarHBondContact O-CB 2.94Å; I226-H230 PolarHBondContact O-N 2.92Å
231L87.8Confident81.8Confident44 Ų4477.3 Ų77.323%0.2341%0.409CS..Iπ-helixtrans-90.4-21.1-179.3-66.8164000112.7W209 I226 E241 E242 Y245W209-L231 HydrophobicContact CH2-CD2 4.04Å; W209-L231 HydrophobicContact CH2-CG 4.4Å; W209-L231 HydrophobicContact CZ3-CD2 4.12Å; W209-L231 HydrophobicContact CZ3-CG 4.27Å; I226-L231 HydrophobicContact CG2-CD1 3.68Å; I226-L231 HydrophobicContact CG2-CG 4.2Å; I226-L231 PolarHBondContact O-N 3.48Å; L231-E241 HydrophobicContact CD1-CG 3.88Å; L231-E241 HydrophobicContact CD2-CG 3.99Å; L231-E242 HydrophobicContact CD1-CB 4.33Å; L231-Y245 HydrophobicContact CD2-CE2 4.3Å
232G75.3Confident81.3Confident35 Ų3576.1 Ų76.136%0.36140%0.396SS..  trans67.4173.6-169.500000111.1R227 G234R227-G232 CarbonylContact O-C 3.5Å; R227-G232 WeakPolarHBondContact O-CA 3.16Å; R227-G232 PolarHBondContact O-N 2.7Å; G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 3.13Å
233S66.1Low81Confident142 Ų14279.4 Ų79.499%0.99341%0.414SS*.SBendtrans-59.488.2179.2-66.80000111.4
234G61Low81Confident42 Ų4284.6 Ų84.643%0.43344%0.437SS..  trans-93150.6-178.200000112.3G232 S238G232-G234 VanDerWaalsContact C-N 3.29Å; G232-G234 PolarHBondContact O-N 3.13Å; G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-OG 3.38Å; G234-S238 PolarHBondContact O-OG 3.14Å
235S63.4Low81Confident83 Ų8380.7 Ų80.758%0.5842%0.422SS*.  trans-56.1168.2168.970.50000112Q237 S238S235-Q237 PolarHBondContact O-N 3.33Å; S235-S238 WeakPolarHBondContact O-CB 3.03Å; S235-S238 PolarHBondContact O-N 3.26Å; S235-S238 PolarHBondContact O-OG 3.18Å
236D67.3Low81Confident138 Ų13882.1 Ų82.174%0.73843%0.427SS*.THydrogen-bonded Turntrans-48.3-29.4-178.9-152-95.2000114S238 Q239D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.79Å; D236-Q239 WeakPolarHBondContact O-CB 3.1Å; D236-Q239 PolarHBondContact O-N 3.4Å; D236-Q239 VanDerWaalsContact O-N 3.13Å
237Q63.4Low81Confident163 Ų16385.3 Ų85.376%0.76245%0.447SS*.THydrogen-bonded Turntrans-61.8-29.1175.3-66-167.883.600113.9S235 Q239 R240S235-Q237 PolarHBondContact O-N 3.33Å; Q237-Q239 PolarHBondContact O-N 3.19Å; Q237-R240 PolarHBondContact O-N 2.79Å
238S66.7Low81.2Confident7 Ų786.2 Ų86.25%0.04945%0.453CS..Hα-helixtrans-72.1-15.2177.968.30000114.1G234 S235 D236 R240 E241 E242G234-S238 VanDerWaalsContact C-OG 3.27Å; G234-S238 WeakPolarHBondContact CA-OG 3.38Å; G234-S238 PolarHBondContact O-OG 3.14Å; S235-S238 WeakPolarHBondContact O-CB 3.03Å; S235-S238 PolarHBondContact O-N 3.26Å; S235-S238 PolarHBondContact O-OG 3.18Å; D236-S238 VanDerWaalsContact C-N 3.25Å; D236-S238 PolarHBondContact O-N 2.79Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 3.29Å; S238-E241 WeakPolarHBondContact CA-OE1 3.28Å; S238-E241 WeakPolarHBondContact CB-OE1 3.34Å; S238-E241 WeakPolarHBondContact O-CG 3.23Å; S238-E241 PolarHBondContact O-N 2.93Å; S238-E242 PolarHBondContact O-N 3.39Å
239Q68.4Low81.3Confident92 Ų9284 Ų8443%0.4344%0.437SS..Hα-helixtrans-74.5-20.4173.7-166.4176.8-18.400112D236 Q237 E242D236-Q239 WeakPolarHBondContact O-CB 3.1Å; D236-Q239 PolarHBondContact O-N 3.4Å; D236-Q239 VanDerWaalsContact O-N 3.13Å; Q237-Q239 PolarHBondContact O-N 3.19Å; Q239-E242 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E242 VanDerWaalsContact O-CG 3.23Å; Q239-E242 WeakPolarHBondContact O-CG 3.42Å
240R74.4Confident81.2Confident196 Ų19682 Ų8274%0.7443%0.434SS*.Hα-helixtrans-83.8-30.9173.1174.3168.5-72.8-80.1-0.9112.1Q237 S238Q237-R240 PolarHBondContact O-N 2.79Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 3.29Å
241E82.1Confident80.6Confident79 Ų7982.4 Ų82.437%0.36944%0.441SS..Hα-helixtrans-80.3-22.9-177.476.7-163.2153.200112.9L231 S238 D243 F244 Y245L231-E241 HydrophobicContact CD1-CG 3.88Å; L231-E241 HydrophobicContact CD2-CG 3.99Å; S238-E241 WeakPolarHBondContact CA-OE1 3.28Å; S238-E241 WeakPolarHBondContact CB-OE1 3.34Å; S238-E241 WeakPolarHBondContact O-CG 3.23Å; S238-E241 PolarHBondContact O-N 2.93Å; E241-D243 PolarHBondContact O-N 2.83Å; E241-D243 VanDerWaalsContact O-N 3.17Å; E241-F244 PolarHBondContact O-N 3.39Å; E241-F244 VanDerWaalsContact O-N 3.1Å; E241-Y245 HydrophobicContact CB-CE2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.4Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 WeakPolarHBondContact O-CE2 3.46Å
242E85.2Confident80.1Confident1 Ų187.5 Ų87.51%0.00546%0.463CS..G310 helixtrans-58.4-29.817971.4-169.7-174.600113.7K223 I226 R227 L231 S238 Q239 F244 Y245 Y246K223-E242 HydrophobicContact CB-CG 4.12Å; K223-E242 HydrophobicContact CD-CG 3.91Å; K223-E242 WeakPolarHBondContact CD-OE1 3.41Å; K223-E242 HydrophobicContact CG-CG 3.93Å; K223-E242 IonicContact NZ-OE1 3.6Å; I226-E242 WeakPolarHBondContact CD1-O 3.35Å; I226-E242 HydrophobicContact CG2-CB 4.29Å; R227-E242 WeakPolarHBondContact CD-OE2 3.41Å; R227-E242 VanDerWaalsContact CG-OE2 3.23Å; R227-E242 WeakPolarHBondContact CG-OE2 3.28Å; R227-E242 IonicContact CZ-OE2 3.34Å; R227-E242 IonicContact NE-OE2 2.83Å; R227-E242 PolarHBondContact NE-OE2 2.9Å; L231-E242 HydrophobicContact CD1-CB 4.33Å; S238-E242 PolarHBondContact O-N 3.39Å; Q239-E242 WeakPolarHBondContact CG-OE1 3.23Å; Q239-E242 VanDerWaalsContact O-CG 3.23Å; Q239-E242 WeakPolarHBondContact O-CG 3.42Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 2.93Å; E242-Y245 PolarHBondContact O-N 3.35Å; E242-Y246 WeakPolarHBondContact O-CD1 3.05Å
243D90.9Very high79.2Confident70 Ų7091.2 Ų91.237%0.37448%0.479SS..G310 helixtrans-70.3-21179.7-73.1-42000113.7K223 E241 Y245 Y246K223-D243 WeakPolarHBondContact CD-OD1 3.3Å; E241-D243 PolarHBondContact O-N 2.83Å; E241-D243 VanDerWaalsContact O-N 3.17Å; D243-Y245 VanDerWaalsContact C-N 3.28Å; D243-Y245 PolarHBondContact O-N 3.5Å; D243-Y246 HydrophobicContact CB-CE1 4.25Å; D243-Y246 WeakPolarHBondContact OD1-CE1 3.5Å; D243-Y246 PolarHBondContact OD1-OH 2.8Å
244F93.6Very high78.7Confident154 Ų15491 Ų9168%0.67547%0.466SS*.G310 helixtrans-76.5-19177.2-68-91.7000112.6E241 E242E241-F244 PolarHBondContact O-N 3.39Å; E241-F244 VanDerWaalsContact O-N 3.1Å; E242-F244 VanDerWaalsContact C-N 3.28Å; E242-F244 PolarHBondContact O-N 2.93Å
245Y93.8Very high77.9Confident81 Ų8197.2 Ų97.232%0.31848%0.483SS..G310 helixtrans-102.217.1-172.3-58.2-73.4000113.7C207 L208 W209 I226 L231 E241 E242 D243C207-Y245 WeakPolarHBondContact CA-O 3.35Å; L208-Y245 PolarHBondContact N-O 3.42Å; W209-Y245 AromaticContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD1 3.62Å; W209-Y245 HydrophobicContact CE3-CD2 4.34Å; W209-Y245 AromaticContact CE3-CE1 3.98Å; W209-Y245 HydrophobicContact CE3-CE1 3.98Å; W209-Y245 AromaticContact CE3-CG 3.81Å; W209-Y245 HydrophobicContact CE3-CG 3.81Å; W209-Y245 AromaticContact CZ3-CD1 3.76Å; W209-Y245 HydrophobicContact CZ3-CD1 3.76Å; W209-Y245 AromaticContact CZ3-CD2 3.95Å; W209-Y245 HydrophobicContact CZ3-CD2 3.95Å; W209-Y245 AromaticContact CZ3-CE1 3.72Å; W209-Y245 HydrophobicContact CZ3-CE1 3.72Å; W209-Y245 AromaticContact CZ3-CE2 3.91Å; W209-Y245 HydrophobicContact CZ3-CE2 3.91Å; W209-Y245 AromaticContact CZ3-CG 3.87Å; W209-Y245 HydrophobicContact CZ3-CG 3.87Å; W209-Y245 AromaticContact CZ3-CZ 3.79Å; I226-Y245 HydrophobicContact CG2-CD2 4.15Å; I226-Y245 HydrophobicContact CG2-CG 4.4Å; L231-Y245 HydrophobicContact CD2-CE2 4.3Å; E241-Y245 HydrophobicContact CB-CE2 4.45Å; E241-Y245 HydrophobicContact CG-CE2 4.4Å; E241-Y245 WeakPolarHBondContact O-CD2 3.49Å; E241-Y245 WeakPolarHBondContact O-CE2 3.46Å; E242-Y245 PolarHBondContact O-N 3.35Å; D243-Y245 VanDerWaalsContact C-N 3.28Å; D243-Y245 PolarHBondContact O-N 3.5Å
246Y95.9Very high77.1Confident46 Ų4698.4 Ų98.418%0.1850%0.499CS..EExtended strand (participates in β ladder)trans-139.8160.3166.871.4-92.4000113.9Y205 K206 I222 K223 I226 E242 D243Y205-Y246 AromaticContact CD1-CD2 3.72Å; Y205-Y246 HydrophobicContact CD1-CD2 3.72Å; Y205-Y246 AromaticContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CD1-CE2 3.59Å; Y205-Y246 HydrophobicContact CE1-CE2 4Å; K206-Y246 CarbonylContact O-C 3.57Å; K206-Y246 WeakPolarHBondContact O-CA 3.36Å; K206-Y246 VanDerWaalsContact O-CB 3.28Å; K206-Y246 WeakPolarHBondContact O-CB 3.35Å; I222-Y246 HydrophobicContact CG1-CG 4.36Å; I222-Y246 HydrophobicContact CG2-CD1 3.72Å; I222-Y246 HydrophobicContact CG2-CD2 3.96Å; I222-Y246 HydrophobicContact CG2-CE1 4.1Å; I222-Y246 HydrophobicContact CG2-CE2 4.35Å; I222-Y246 HydrophobicContact CG2-CG 3.64Å; K223-Y246 HydrophobicContact CD-CE1 3.82Å; K223-Y246 HydrophobicContact CG-CD1 4.17Å; K223-Y246 HydrophobicContact CG-CE1 3.53Å; I226-Y246 HydrophobicContact CD1-CD1 3.87Å; I226-Y246 HydrophobicContact CD1-CG 4.44Å; E242-Y246 WeakPolarHBondContact O-CD1 3.05Å; D243-Y246 HydrophobicContact CB-CE1 4.25Å; D243-Y246 WeakPolarHBondContact OD1-CE1 3.5Å; D243-Y246 PolarHBondContact OD1-OH 2.8Å
247T96.1Very high75.8Confident66 Ų6695 Ų9541%0.40550%0.495SS..EExtended strand (participates in β ladder)trans-122.5132.9169.4-56.20000110Y205 K206 L208Y205-T247 WeakPolarHBondContact CA-O 3.36Å; K206-T247 PolarHBondContact N-O 3.25Å; K206-T247 PolarHBondContact O-N 3.06Å; L208-T247 WeakPolarHBondContact CD1-OG1 3.35Å
248K95.8Very high74.6Confident108 Ų10893 Ų9347%0.4750%0.5SS..EExtended strand (participates in β ladder)trans-83123.4170.4-173.7-177.3-178.2-172.20109S203 V204 Y205S203-K248 WeakPolarHBondContact OG-CE 3.47Å; V204-K248 CarbonylContact O-C 3.59Å; V204-K248 WeakPolarHBondContact O-CA 3.49Å; Y205-K248 HydrophobicContact CD1-CB 3.94Å; Y205-K248 HydrophobicContact CD1-CG 4.07Å; Y205-K248 HydrophobicContact CE1-CB 3.81Å; Y205-K248 HydrophobicContact CE1-CD 3.82Å; Y205-K248 HydrophobicContact CE1-CG 3.62Å; Y205-K248 WeakPolarHBondContact OH-CE 3.19Å
249I93.4Very high73.2Confident57 Ų5796.1 Ų96.129%0.29253%0.533SS..EExtended strand (participates in β ladder)trans-112.6119.3177.2-55.3165.7000106.5S203 V204 K206S203-I249 CarbonylContact C-O 3.54Å; S203-I249 WeakPolarHBondContact CA-O 3.29Å; V204-I249 HydrophobicContact CG2-CB 3.85Å; V204-I249 HydrophobicContact CG2-CG2 4.36Å; V204-I249 PolarHBondContact N-O 3.34Å; V204-I249 PolarHBondContact O-N 2.96Å; K206-I249 HydrophobicContact CB-CD1 4.09Å; K206-I249 HydrophobicContact CD-CD1 4.47Å
250C91.1Very high72.1Confident73 Ų7398.4 Ų98.449%0.49356%0.556SS.*EExtended strand (participates in β ladder)trans-84.1118.7174.6-610000108.4E252C250-E252 PolarHBondContact O-N 2.79Å
251C81.4Confident70.1Confident54 Ų5494.4 Ų94.437%0.36556%0.558SS.*EExtended strand (participates in β ladder)trans-80.199.7169.6-600000107.9R202 T253R202-C251 WeakPolarHBondContact O-CB 3.43Å; R202-C251 PolarHBondContact O-N 2.95Å; C251-T253 PolarHBondContact O-N 3.31Å
252E76.1Confident68.9Low150 Ų15096.4 Ų96.470%0.70158%0.578SS**  trans-77116.9163.6-166.3165.9109.600107.5C250 I254C250-E252 PolarHBondContact O-N 2.79Å; E252-I254 PolarHBondContact O-N 2.96Å; E252-I254 VanDerWaalsContact O-N 3.17Å
253T58.1Low66.2Low113 Ų113100 Ų10069%0.69361%0.614SS**  trans-7898.6173.4-57.40000106.8C251 E255C251-T253 PolarHBondContact O-N 3.31Å; T253-E255 PolarHBondContact O-N 3.06Å
254I54.1Low64.1Low138 Ų138102.8 Ų102.871%0.70864%0.636SS**  trans-74.1115.3164.8-46.1174.8000105.3E252 A256E252-I254 PolarHBondContact O-N 2.96Å; E252-I254 VanDerWaalsContact O-N 3.17Å; I254-A256 PolarHBondContact O-N 2.92Å
255E45.4Very low61.3Low172 Ų172100.9 Ų100.980%0.80464%0.642SS**  trans-51.8106.2170.9-70.5-82.3116.600109.1T253 G257T253-E255 PolarHBondContact O-N 3.06Å; E255-G257 PolarHBondContact O-N 3.41Å
256A46.1Very low59Low109 Ų109103.3 Ų103.390%0.90167%0.668SS**  trans-76.179171.900000109I254I254-A256 PolarHBondContact O-N 2.92Å
257G40.6Very low56Low65 Ų65105.6 Ų105.667%0.6770%0.696SS**  trans-98.8101.6165.400000110.6E255E255-G257 PolarHBondContact O-N 3.41Å
258S37Very low53.1Low123 Ų123107.6 Ų107.686%0.8672%0.72SS**  trans64.3108.4154.6-50.70000119.3
259G38.8Very low49.9Very low72 Ų72106 Ų10674%0.74273%0.733SS**  trans-78.4162.8146.900000110.9
260P43.5Very low48Very low140 Ų140109.7 Ų109.791%0.90976%0.761SS**  -135.5161.878.133.9-17.4000116.6
261S33.3Very low45.1Very low112 Ų112110.7 Ų110.778%0.78378%0.775SS**  trans-52.1-171.9179-1530000117.2
262P56.3Low43Very low121 Ų121116.2 Ų116.279%0.78680%0.796SS**  -126.1162.8-67.135.2-19.2000114.8
263G28.6Very low41.2Very low75 Ų75117.2 Ų117.277%0.77380%0.8SS**  trans104.9167147.600000117.9
264P46.3Very low39.8Very low129 Ų129118.2 Ų118.284%0.83881%0.806SS**  cis-118.3169.3-24.336.7-21.1000113.2
265S36.6Very low38.7Very low114 Ų114120.1 Ų120.180%0.79782%0.817SS**  trans-62.4166.1172.7-550000114
266P45.5Very low37.9Very low132 Ų132115.1 Ų115.186%0.85781%0.811SS**  -134.4167.8113.535.2-22.9000115.5
267A32.7Very low37.4Very low94 Ų94118.8 Ų118.878%0.77781%0.81SS**  trans-59.3143.5-16200000119.9
268A35.1Very low36.8Very low109 Ų109123 Ų12390%0.90182%0.823SS**  trans25.6127132.500000122.3
269G29.3Very low36.8Very low73 Ų73122.2 Ų122.275%0.75382%0.818SS**  trans-169.7138.1151.700000111.2
270P51.8Low36.8Very low135 Ų135123.1 Ų123.188%0.87782%0.818SS**  trans-98.8143.6-159.336.6-31.5000114.4
271A31.5Very low36.6Very low95 Ų95120.1 Ų120.179%0.78581%0.805SS**  trans-162.4112.8159.300000113.9
272Q35.6Very low37.1Very low170 Ų170123 Ų12379%0.79481%0.81SS**  42.9111.4128.4-61.5-93.1-21.900121.1
273Q39.1Very low36.4Very low170 Ų170123.2 Ų123.279%0.79480%0.804SS**  trans27.6117135.1-51.4-173.515.400121.2
274T29Very low36.8Very low134 Ų134125.8 Ų125.882%0.82281%0.811SS**  169.2127.6125.6-86.10000113.3
275L31.6Very low36.3Very low179 Ų179130 Ų13094%0.93781%0.81SS**  trans50117.4150.1-158.774.9000121
276G27.5Very low36.1Very low66 Ų66128.9 Ų128.968%0.6881%0.808SS**  trans164.3117.7154.300000114.8
277Q36.1Very low35.4Very low186 Ų186126.9 Ų126.987%0.86980%0.797SS**  trans44.3104.5150.8-75.816023.600117.7S279Q277-S279 PolarHBondContact O-N 2.97Å
278T27.2Very low35.3Very low153 Ų153128.6 Ų128.694%0.93980%0.802SS**  trans-63.498.5162.750.50000109.2
279S36.7Very low35.1Very low108 Ų108126.6 Ų126.676%0.75579%0.791SS**  trans-65.1141.4174.726.90000111.1Q277 A281Q277-S279 PolarHBondContact O-N 2.97Å; S279-A281 PolarHBondContact O-N 2.95Å
280A39.3Very low35.5Very low91 Ų91128.5 Ų128.575%0.75279%0.793SS**  trans-53.3127.4173.900000110.1L282A280-L282 PolarHBondContact O-N 2.96Å; A280-L282 VanDerWaalsContact O-N 3.12Å
281A39.2Very low34.9Very low76 Ų76128.4 Ų128.463%0.62879%0.793SS**  trans-59.3115.6178.100000110.2S279 L283S279-A281 PolarHBondContact O-N 2.95Å; A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 HydrophobicContact CB-CG 4.26Å; A281-L283 PolarHBondContact O-N 2.91Å
282L43.7Very low35Very low173 Ų173129.7 Ų129.791%0.90680%0.796SS**  trans-61.496.2160.6-80.4163000107.9A280A280-L282 PolarHBondContact O-N 2.96Å; A280-L282 VanDerWaalsContact O-N 3.12Å
283L42.9Very low35.1Very low126 Ų126124.9 Ų124.966%0.6679%0.792SS**  trans-102.8109.2168.6-69.4172.2000107.8A281 W285A281-L283 VanDerWaalsContact C-N 3.34Å; A281-L283 HydrophobicContact CB-CG 4.26Å; A281-L283 PolarHBondContact O-N 2.91Å; L283-W285 PolarHBondContact O-N 3.35Å
284S36Very low34.7Very low129 Ų129122.5 Ų122.590%0.90279%0.794SS**  trans-53116.9163.2-86.10000109.2
285W36.7Very low34.7Very low216 Ų216124.4 Ų124.482%0.81879%0.794SS**  trans-87111.3170.867.7-65000108.1L283L283-W285 PolarHBondContact O-N 3.35Å
286A30.8Very low34.9Very low91 Ų91122.6 Ų122.675%0.75278%0.784SS**  trans-77.1117.5160.900000107.3C288A286-C288 PolarHBondContact O-N 2.86Å
287S31.9Very low34.9Very low91 Ų91128 Ų12864%0.63679%0.792SS**  trans-60120.7176.2-162.40000110G289S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.24Å; S287-G289 VanDerWaalsContact O-N 3.07Å
288C30.6Very low34.9Very low130 Ų130126.4 Ų126.488%0.87879%0.787SS**  trans-80.385.1173.3-49.30000108.6A286A286-C288 PolarHBondContact O-N 2.86Å
289G29.7Very low35.2Very low66 Ų66125 Ų12568%0.6878%0.781SS**  trans-72.4126.9167.500000110.5S287S287-G289 VanDerWaalsContact C-N 3.34Å; S287-G289 PolarHBondContact O-N 3.24Å; S287-G289 VanDerWaalsContact O-N 3.07Å
290S39Very low34.9Very low113 Ų113123.7 Ų123.779%0.7978%0.777SS**  trans-62.8140.8163.6-51.30000109.7S292S290-S292 PolarHBondContact O-N 2.72Å; S290-S292 VanDerWaalsContact O-N 3.17Å
291P38Very low34.5Very low134 Ų134126.7 Ų126.787%0.8779%0.786SS**  trans-76.7107.5170.929.6-29.8000109.2
292S35.2Very low34.1Very low121 Ų121132 Ų13285%0.84680%0.797SS**  trans-86.5140155.6-163.40000108.4S290S290-S292 PolarHBondContact O-N 2.72Å; S290-S292 VanDerWaalsContact O-N 3.17Å
293G36.3Very low33.8Very low69 Ų69131.8 Ų131.871%0.71179%0.785SS**  trans-64.3160.4-160.100000116.5
294S31.6Very low33.4Very low121 Ų121132 Ų13285%0.84679%0.794SS**  trans-141.1107.7155.2-64.90000108.2
295E29.2Very low33.3Very low174 Ų174135 Ų13581%0.81379%0.785SS**  -12135.5128.9-106.2179.172.500113.1
296L35.9Very low32.9Very low140 Ų140130.9 Ų130.973%0.73379%0.79SS**  cis-165.5153.747.2-91.1124.3000105.6
297Q27.7Very low32.9Very low181 Ų181134.4 Ų134.485%0.84680%0.796SS**  -178139.364.9-137.8176.136.900109.4
298I35Very low32.9Very low151 Ų151135.3 Ų135.377%0.77480%0.802SS**  trans-89.5151.5175.8-59.4158.1000109.4A300I298-A300 VanDerWaalsContact CG2-N 3.27Å
299P33.8Very low33.1Very low125 Ų125134.9 Ų134.981%0.81280%0.801SS**  -134.3118.41148.813.5000111.7
300A30.7Very low33.4Very low80 Ų80137.3 Ų137.366%0.66181%0.807SS**  70.9101.982.700000114.8I298I298-A300 VanDerWaalsContact CG2-N 3.27Å
301T30.3Very low33.3Very low154 Ų154139.8 Ų139.895%0.94581%0.811SS**  trans-142.9149.5142.447.90000110.7
302H31.1Very low33.8Very low187 Ų187139.2 Ų139.287%0.86681%0.807SS**  trans-94.9150.3-149.3-120.6-128.1000114.3
303R37.1Very low33.6Very low168 Ų168137.4 Ų137.463%0.63481%0.807SS**  trans-8.6156.8150.1-133.7-171.1-176.2127.715.1118.8R305R303-R305 VanDerWaalsContact CZ-CD 3.41Å; R303-R305 VanDerWaalsContact CZ-NE 3.25Å; R303-R305 VanDerWaalsContact NE-CG 3.33Å
304P34.5Very low33.5Very low132 Ų132137.4 Ų137.486%0.85781%0.808SS**  -132.3156.5103.236.3-27000115.1
305R34Very low33.6Very low190 Ų190138.6 Ų138.672%0.71781%0.81SS**  trans-103.2141.4176.7-135.6176.6-165.1-135.34106.7R303R303-R305 VanDerWaalsContact CZ-CD 3.41Å; R303-R305 VanDerWaalsContact CZ-NE 3.25Å; R303-R305 VanDerWaalsContact NE-CG 3.33Å
306S28.4Very low34.2Very low131 Ų131141.3 Ų141.392%0.91681%0.813SS**  trans-153.1155.6157.3-82.10000110.9
307N31.4Very low34.7Very low164 Ų164139 Ų13988%0.87781%0.806SS**  trans-103.2166.4-147.1-150.634.8000112.2
308S31.6Very low35.1Very low111 Ų111135.6 Ų135.678%0.77680%0.802SS**  trans-68.2145.8178.4-530000115.9
309S35Very low35.7Very low121 Ų121133.7 Ų133.785%0.84680%0.8SS**  trans171.3140.9141.851.60000106.3
310S35.8Very low35.7Very low117 Ų117135.5 Ų135.582%0.81880%0.802SS**  cis-161.8162.617.940.70000109.2
311L37.4Very low35.7Very low165 Ų165136.2 Ų136.286%0.86480%0.802SS**  trans-55.3179.8-178.6-94.474.8000116.8
312P48.2Very low36.1Very low122 Ų122137.2 Ų137.279%0.79280%0.796SS**  cis-134166.1-6.830.1-9.1000116
313G30.7Very low36.2Very low82 Ų82133.6 Ų133.685%0.84579%0.791SS**  trans149.3108.7147.500000117.7
314G34.2Very low36.1Very low70 Ų70130.1 Ų130.172%0.72280%0.798SS**  trans9579.9146.300000120
315T33.5Very low36.4Very low145 Ų145130 Ų13089%0.8980%0.798SS**  trans48112.3138.1450000122.6
316R42.9Very low36.5Very low231 Ų231126.3 Ų126.387%0.87280%0.801SS**  trans-31.5175.4149.5-99.5-178.169.2-154.67.1117.1
317P44.8Very low36.8Very low92 Ų92125.1 Ų125.160%0.59779%0.793SS**  cis-140.6167.9-29.537.3-19.6000115.2
318S36.8Very low37Very low109 Ų109126.4 Ų126.476%0.76279%0.791SS**  trans-70.3163.9152.1-60.60000112
319P46.8Very low37.6Very low111 Ų111131.8 Ų131.872%0.72179%0.794SS**  -150.7143.399.636-17.1000116.9
320L33.9Very low37.7Very low163 Ų163135.5 Ų135.585%0.85380%0.798SS**  trans41.1132.8131.7-70155.9000122.6
321S32Very low37.9Very low95 Ų95137.2 Ų137.266%0.66480%0.797SS**  107.2126.6125.8-82.40000121.2
322Q37.3Very low37.8Very low176 Ų176136.4 Ų136.482%0.82279%0.788SS**  trans101.1109.8137.5-73.9178.789.400121.8
323S33.2Very low37.6Very low110 Ų110135.7 Ų135.777%0.76978%0.782SS**  80.1134122.1-49.10000121.1
324A35.2Very low38.4Very low95 Ų95138.1 Ų138.179%0.78577%0.771SS**PPolyproline II helixtrans-58152.4-173.500000116.4
325P42.2Very low39.1Very low129 Ų129143 Ų14384%0.83878%0.775SS**PPolyproline II helixtrans-91.3121163.532-26.3000111.6
326S35.8Very low39.4Very low113 Ų113144.1 Ų144.179%0.7978%0.775SS**PPolyproline II helixtrans-60.4128163.5175.70000110.3F328S326-F328 PolarHBondContact O-N 3.48Å
327S33.3Very low39.1Very low106 Ų106144.1 Ų144.174%0.74178%0.776SS**  trans-80.3100.4171.558.20000109.9
328F35.8Very low38.7Very low192 Ų192148.8 Ų148.884%0.84279%0.79SS**  trans-99.4126.1171.2-166.3-100.5000109.6S326 Q330S326-F328 PolarHBondContact O-N 3.48Å; F328-Q330 PolarHBondContact O-N 3Å
329W44.1Very low38.3Very low223 Ų223148 Ų14885%0.84579%0.79SS**  trans-68.4123.7-176.3-64.989.8000111.3I331W329-I331 PolarHBondContact O-N 3.07Å
330Q37.8Very low37.6Very low199 Ų199149 Ų14993%0.9380%0.798SS**  trans-67.6113170.3-84.3160-89.100110.1F328F328-Q330 PolarHBondContact O-N 3Å
331I39.3Very low37.7Very low153 Ų153145.9 Ų145.979%0.78579%0.79SS**  trans-98.6119.1161.5-63.5170.1000106.6W329W329-I331 PolarHBondContact O-N 3.07Å
332H36.8Very low38.2Very low149 Ų149147.2 Ų147.269%0.6980%0.797SS**  trans-67.5129.9177.8-157-98.3000109.5E334H332-E334 IonicContact CE1-OE1 3.2Å; H332-E334 IonicContact CE1-OE2 3.61Å; H332-E334 PolarHBondContact CE1-OE2 3Å; H332-E334 IonicContact ND1-OE1 3.71Å; H332-E334 PolarHBondContact ND1-OE1 3.48Å; H332-E334 IonicContact ND1-OE2 2.9Å; H332-E334 PolarHBondContact ND1-OE2 3.33Å
333T43.3Very low38Very low106 Ų106144 Ų14465%0.6579%0.789SS**  trans-148.7102.1163.2-55.10000108.8H335T333-H335 PolarHBondContact O-N 2.8Å
334E47.3Very low38.2Very low133 Ų133147.9 Ų147.962%0.62179%0.794SS**  trans-65109.8169.340.3-96.7102.300112H332H332-E334 IonicContact CE1-OE1 3.2Å; H332-E334 IonicContact CE1-OE2 3.61Å; H332-E334 PolarHBondContact CE1-OE2 3Å; H332-E334 IonicContact ND1-OE1 3.71Å; H332-E334 PolarHBondContact ND1-OE1 3.48Å; H332-E334 IonicContact ND1-OE2 2.9Å; H332-E334 PolarHBondContact ND1-OE2 3.33Å
335H48.9Very low38.1Very low172 Ų172149 Ų14980%0.79679%0.791SS**  trans-138.1108155.4-79.3-66.4000111T333 Y337T333-H335 PolarHBondContact O-N 2.8Å; H335-Y337 PolarHBondContact O-N 2.9Å
336L39.5Very low37.6Very low170 Ų170148.3 Ų148.389%0.8979%0.789SS**  trans-53.9113.4158.9-73.3151.2000109.5
337Y37.3Very low37.5Very low231 Ų231151.5 Ų151.591%0.90679%0.794SS**  trans-144.5113.5147-128.7-93.8000108.9H335H335-Y337 PolarHBondContact O-N 2.9Å
338Q36.8Very low37.6Very low189 Ų189150.7 Ų150.788%0.88379%0.794SS**  trans-94.5121.6-179.9-178.7152.66.100108.9
339A27.9Very low38.1Very low92 Ų92145.8 Ų145.876%0.7678%0.781SS**  trans-156.8134.7160.600000113.1
340C31.6Very low37.6Very low134 Ų134146 Ų14691%0.90578%0.782SS**  trans88.5112.4155.9-131.40000120
341S37.2Very low37.8Very low97 Ų97141.9 Ų141.968%0.67878%0.775SS**  trans-74.1172.2174.363.30000114
342P42Very low38.3Very low123 Ų123140 Ų14080%0.79977%0.773SS**  -135126.8115.633.8-20.8000115
343V33.6Very low38Very low109 Ų109138.8 Ų138.866%0.66178%0.78SS**  trans22.5113.7136.9-176.30000117.9
344Q36.9Very low37.6Very low190 Ų190137.6 Ų137.689%0.88878%0.776SS**  trans-141.2140.2142.9-77.3-60.9-3000110.2
345V33.1Very low37Very low119 Ų119140.2 Ų140.272%0.72179%0.788SS**  trans-89.4134.3-166.1179.60000110.6
346S31.8Very low36.2Very low114 Ų114135.1 Ų135.180%0.79778%0.782SS**  trans-169.9116.3144.5-930000114.2
347M33.2Very low35.8Very low180 Ų180139.5 Ų139.589%0.88779%0.787SS**  trans39.4113.6146.6-47.5-157.782.700120.6
348A35.3Very low36Very low89 Ų89134.5 Ų134.574%0.73678%0.781SS**  trans-75.9169154.500000109.9
349P46.2Very low36.5Very low89 Ų89131 Ų13158%0.57877%0.774SS**  -155.7171.366.140.5-18.8000118.3
350R34.8Very low36.8Very low227 Ų227132.7 Ų132.786%0.85778%0.78SS**  trans85.9131.4161.2-52.2177.3-105.9-97.65.4114.9
351S40.7Very low36.8Very low114 Ų114129.5 Ų129.580%0.79777%0.77SS**  cis-171.2167.4-5.255.20000106.9
352P49.7Very low36.7Very low114 Ų114131 Ų13174%0.7478%0.781SS**  trans-111.9162.1-150.140.2-31.6000114.2
353C30.4Very low36.7Very low122 Ų122131.7 Ų131.782%0.82478%0.782SS**  trans174.3149136.8-115.70000108.6
354S34.5Very low37.4Very low81 Ų81132.5 Ų132.557%0.56679%0.79SS**  cis175.9139.1-19.5-96.50000104.2
355Q36.4Very low37.1Very low188 Ų188126.6 Ų126.688%0.87978%0.78SS**  trans55.7118.9142.9-56.9-174.4-20.200117.3
356G31.8Very low37.3Very low65 Ų65130.2 Ų130.267%0.6779%0.788SS**  cis94.710949.400000108.8
357W31.7Very low37.5Very low262 Ų262129.7 Ų129.799%0.99279%0.785SS**  trans173.5122.2139.2-92.1-29.4000111.4
358T40.6Very low37.6Very low127 Ų127129.2 Ų129.278%0.77979%0.786SS**  trans-86.7153.7141.957.40000106.4
359P46.3Very low37.7Very low115 Ų115128.6 Ų128.675%0.74778%0.781SS**  -156.2168.771.238-15.4000118.1
360S34.7Very low37.5Very low127 Ų127130.5 Ų130.589%0.88879%0.794SS**  trans53.3132.3145.4-80.30000123.3
361G31.4Very low37.6Very low67 Ų67128 Ų12869%0.69179%0.794SS**  154124.1126.600000116.7
362S34.9Very low37.6Very low129 Ų129129.2 Ų129.290%0.90280%0.796SS**  trans100.5112.7152.474.30000119.7
363V42.1Very low37.2Very low137 Ų137132.9 Ų132.983%0.8380%0.8SS**  trans-96.8154.8154.3-107.20000107.3
364P48.5Very low37.6Very low127 Ų127132.7 Ų132.783%0.82580%0.797SS**  -150.3143.394.633.4-13.2000117.2
365G31.5Very low37.9Very low65 Ų65140.5 Ų140.567%0.6781%0.814SS**  87.6105.9122.900000119.6
366H35.8Very low38.1Very low195 Ų195137.5 Ų137.590%0.90381%0.813SS**  -167.8135123.441-91000111.5
367S37.8Very low38.9Very low104 Ų104145.4 Ų145.473%0.72782%0.822SS**  trans-89.4140.8-176.942.50000112.7
368N35.3Very low39.4Very low169 Ų169139.1 Ų139.190%0.90482%0.818SS**  trans-175.2156131.2-101.8-58.1000113.5
369A36.1Very low39.8Very low76 Ų76138.1 Ų138.163%0.62881%0.812SS**PPolyproline II helixtrans-60.7157.7-157.400000119.3
370P41.5Very low40.2Very low130 Ų130136.1 Ų136.184%0.84480%0.8SS**PPolyproline II helixtrans-83.9122.7-178.932-32000113.2
371M37.8Very low41Very low174 Ų174137 Ų13786%0.85780%0.8SS**PPolyproline II helixtrans-86.4124.3170.3-40.6-178-16500108.7K373M371-K373 PolarHBondContact O-N 3.15Å
372V41.3Very low42.1Very low139 Ų139136.1 Ų136.184%0.84279%0.792SS**PPolyproline II helixtrans-65.6120177178.40000109.3
373K40.4Very low42.9Very low191 Ų191135 Ų13583%0.8377%0.772SS**PPolyproline II helixtrans-79.6123176.2-58.8168.8-176.9176.50109.2M371M371-K373 PolarHBondContact O-N 3.15Å
374P39.3Very low43.1Very low118 Ų118135.6 Ų135.677%0.76677%0.766SS**PPolyproline II helixtrans-73.8131.1169.9-925.4000109.9C376P374-C376 PolarHBondContact O-N 3.45Å
375R40.9Very low43.2Very low246 Ų246138 Ų13893%0.92876%0.759SS**  trans-74.8104.7173.1-151.6-179.9-158.6151.42107.8R377R375-R377 PolarHBondContact O-N 2.93Å
376C40.7Very low44.3Very low125 Ų125140.6 Ų140.685%0.84576%0.757SS**PPolyproline II helixtrans-65.8121.3174-68.40000110.2P374P374-C376 PolarHBondContact O-N 3.45Å
377R47.2Very low45.1Very low230 Ų230139.1 Ų139.187%0.86875%0.75SS**PPolyproline II helixtrans-91.3133.7162.7-59.8-170100.3177.55.3107.8R375 V379R375-R377 PolarHBondContact O-N 2.93Å; R377-V379 PolarHBondContact O-N 3.23Å
378S43.3Very low45.6Very low130 Ų130141.7 Ų141.791%0.90975%0.751SS**PPolyproline II helixtrans-60.8121.8177.2-44.80000110.2
379V49.1Very low46Very low107 Ų107138.5 Ų138.565%0.64873%0.733SS**PPolyproline II helixtrans-86.4137.5175-179.80000108.4R377 E383R377-V379 PolarHBondContact O-N 3.23Å; V379-E383 HydrophobicContact CG1-CB 3.75Å; V379-E383 HydrophobicContact CG1-CG 4.44Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.28Å
380S55Low46.4Very low72 Ų72145.5 Ų145.550%0.50374%0.743SS.*PPolyproline II helixtrans-72.8148.3179.570.90000111G382 E383S380-G382 PolarHBondContact O-N 3.24Å; S380-E383 PolarHBondContact O-N 3.19Å; S380-E383 VanDerWaalsContact O-N 3.15Å; S380-E383 PolarHBondContact OG-OE2 2.89Å
381V51.6Low46.5Very low145 Ų145146.3 Ų146.388%0.87974%0.74SS**THydrogen-bonded Turntrans-54.9-18-176.2175.70000113.6
382G54.4Low46.5Very low50 Ų50145.8 Ų145.852%0.51574%0.736SS.*THydrogen-bonded Turntrans-78.6-25.1179.800000115.8S380S380-G382 PolarHBondContact O-N 3.24Å
383E50.6Low46.4Very low105 Ų105144.8 Ų144.849%0.49173%0.732SS.*Hα-helixtrans-84.6-19.2-170.4-69.517096.200113.4V379 S380V379-E383 HydrophobicContact CG1-CB 3.75Å; V379-E383 HydrophobicContact CG1-CG 4.44Å; V379-E383 WeakPolarHBondContact CG1-OE2 3.28Å; S380-E383 PolarHBondContact O-N 3.19Å; S380-E383 VanDerWaalsContact O-N 3.15Å; S380-E383 PolarHBondContact OG-OE2 2.89Å
384Q47.1Very low46.6Very low150 Ų150145 Ų14570%0.70174%0.738SS**Hα-helixtrans-73.5-29.5179.1-174.4168.9-24.900113
385W50.8Low46.4Very low177 Ų177145.2 Ų145.267%0.6774%0.742SS**Hα-helixtrans-72-32.3-179.2-170.183.9000112.6
386L53.9Low46.4Very low120 Ų120139.9 Ų139.963%0.62874%0.737SS**Hα-helixtrans-74.8-28.4-176.7-72.2165.3000113.2
387Q52.4Low46.4Very low163 Ų163139.3 Ų139.376%0.76273%0.734SS**Hα-helixtrans-78.8-26.8177.7-74.9-177.73600113.2N389Q387-N389 VanDerWaalsContact C-N 3.35Å; Q387-N389 PolarHBondContact O-N 3.1Å
388Q48.6Very low46.2Very low159 Ų159134.4 Ų134.474%0.74373%0.732SS**Hα-helixtrans-80.7-14.2-175.6-147.9175.4-8.600113.7
389N44.8Very low45.9Very low101 Ų101133.9 Ų133.954%0.5473%0.729SS.*THydrogen-bonded Turntrans-99.92.9-176.7-142-16000114Q387Q387-N389 VanDerWaalsContact C-N 3.35Å; Q387-N389 PolarHBondContact O-N 3.1Å
390R44.6Very low46.1Very low223 Ų223139.2 Ų139.284%0.84274%0.737SS**SBendtrans-91.46.8-177-152.3-179179.2-171.90.3114.4
391L42.2Very low45.2Very low148 Ų148142.6 Ų142.678%0.77575%0.75SS**  trans-129.879.6178.3-61.4176.1000110.2
392Q37.3Very low44.7Very low163 Ų163144 Ų14476%0.76275%0.746SS**  trans-130.5129.2158.5-71.9-61.5-49.500109.2
393P40.3Very low43.7Very low117 Ų117146.8 Ų146.876%0.7676%0.756SS**  trans-70.4140.7-176.9-14.729.1000112.7S395P393-S395 PolarHBondContact O-N 3.29Å
394M44.1Very low43.4Very low197 Ų197146 Ų14697%0.9776%0.763SS**  trans-54.4127169.3-67.2-86.8161.600110.6
395S36.4Very low43.3Very low121 Ų121147.6 Ų147.685%0.84677%0.767SS**  trans-133.9136.3167.1-171.10000110.5P393P393-S395 PolarHBondContact O-N 3.29Å
396V40.2Very low43.1Very low134 Ų134150.9 Ų150.981%0.81278%0.78SS**  trans-73.2136.1-162.1179.60000111.8
397S41.1Very low42.5Very low113 Ų113154.6 Ų154.679%0.7979%0.791SS**  trans-63.2142.8172.1-56.40000112.9
398P43.3Very low41.9Very low127 Ų127151.2 Ų151.283%0.82580%0.799SS**  trans-105.6142.3152.52.917.6000112.4
399S36.7Very low41.8Very low120 Ų120155.3 Ų155.384%0.83981%0.808SS**  trans-68160.9-175.9-172.30000114.8
400R52.2Low41.9Very low218 Ų218153 Ų15382%0.82381%0.809SS**  trans-54.3125.9173.4-168.8-168.8-72-91.8-3.7112.1
401N36.6Very low41.8Very low144 Ų144148.5 Ų148.577%0.7780%0.797SS**  trans164.7130.2130.2-81.8-14000113.1
402H41.5Very low42.4Very low174 Ų174143.4 Ų143.481%0.80678%0.776SS**  trans64.6101.6155.9-144-99.6000119.7
403C32.5Very low43.6Very low108 Ų108140.4 Ų140.473%0.7376%0.761SS**  trans-156.4102.8140-1610000111.7F405C403-F405 PolarHBondContact O-N 3.41Å
404S45.3Very low45.4Very low89 Ų89140.5 Ų140.562%0.62275%0.749SS**  trans-73.258171.4-49.60000111.7
405F43.6Very low47.1Very low183 Ų183131.1 Ų131.180%0.80370%0.703SS**  trans-147.877.2174.5-75.9-80.3000111.6C403C403-F405 PolarHBondContact O-N 3.41Å
406R47.3Very low49.4Very low247 Ų247131.9 Ų131.993%0.93269%0.687SS**SBendtrans-115.294.2150.4-67.9-158.8-131.5-102.34.3108.6
407K40.6Very low51.4Low198 Ų198133.4 Ų133.486%0.86168%0.683SS**  trans41.797.8140.1-151.2139.9177.2175.30114R409K407-R409 PolarHBondContact O-N 3.2Å
408G41.7Very low53.3Low91 Ų91130.9 Ų130.994%0.93866%0.663SS**  trans-47.991.5177.600000112.7
409R45.3Very low55.1Low245 Ų245127.6 Ų127.693%0.92563%0.634SS**  trans-108.478.2172.2-166.2179.2-151.7-1434.7107.3K407K407-R409 PolarHBondContact O-N 3.2Å
410G46.3Very low57.2Low54 Ų54123.2 Ų123.256%0.55761%0.609SS**  trans52.7101.6168.400000114.4A412G410-A412 PolarHBondContact O-N 3.47Å
411E43.2Very low58.6Low127 Ų127116.5 Ų116.559%0.59359%0.591SS**  trans-75.448.7166.8-158.8-129.713700110.1K413 D442E411-K413 PolarHBondContact O-N 3Å; E411-K413 VanDerWaalsContact OE1-CE 3.32Å; E411-K413 WeakPolarHBondContact OE1-CE 3.5Å; E411-K413 WeakPolarHBondContact OE1-CG 3.33Å; E411-D442 PolarHBondContact N-OD2 3.37Å
412A56.1Low60.8Low41 Ų41117.8 Ų117.834%0.33959%0.593SS.*  trans-64.3103.8171.400000107.6G410 K414G410-A412 PolarHBondContact O-N 3.47Å; A412-K414 PolarHBondContact O-N 3.28Å
413K62.2Low62.6Low101 Ų101115.2 Ų115.244%0.43958%0.576SS.*  trans-56.3107.3-177.7-72.9168.5-179.7133.70109.1E411 V418 F440E411-K413 PolarHBondContact O-N 3Å; E411-K413 VanDerWaalsContact OE1-CE 3.32Å; E411-K413 WeakPolarHBondContact OE1-CE 3.5Å; E411-K413 WeakPolarHBondContact OE1-CG 3.33Å; K413-V418 HydrophobicContact CB-CG2 3.86Å; K413-F440 WeakPolarHBondContact O-CD2 3.33Å
414K76.7Confident65Low118 Ų118115.8 Ų115.851%0.51357%0.566SS.*  trans-57.7142.517761.5-173.9177.9-170.20110.5A412 R416 K417 V418A412-K414 PolarHBondContact O-N 3.28Å; K414-R416 HydrophobicContact CD-CB 4.48Å; K414-R416 HydrophobicContact CG-CB 4.37Å; K414-R416 PolarHBondContact O-N 3.12Å; K414-K417 HydrophobicContact CG-CB 3.74Å; K414-K417 WeakPolarHBondContact O-CA 3.31Å; K414-K417 WeakPolarHBondContact O-CB 3.16Å; K414-K417 PolarHBondContact O-N 3.31Å; K414-V418 PolarHBondContact O-N 3.35Å
415C81.1Confident66.9Low0 Ų0116.7 Ų116.70%056%0.564CS.*Hα-helixtrans-52.1-32.6177.5-730000113.4K417 V418 Y419 W427 C428 C431 C437C415-K417 VanDerWaalsContact C-N 3.27Å; C415-K417 PolarHBondContact O-N 3.28Å; C415-V418 PolarHBondContact O-N 3.33Å; C415-Y419 HydrophobicContact CB-CD2 4.09Å; C415-Y419 WeakPolarHBondContact O-CB 3.49Å; C415-Y419 PolarHBondContact O-N 3.27Å; C415-W427 HydrophobicContact CB-CB 3.99Å; C415-W427 HydrophobicContact CB-CG 3.81Å; C415-C428 PolarHBondContact SG-N 3.35Å; C415-C428 VanDerWaalsContact SG-N 3.41Å; C415-C431 HydrophobicContact CB-CB 3.94Å; C415-C431 PolarHBondContact SG-SG 3.33Å; C415-C437 VanDerWaalsContact SG-SG 3.61Å
416R84.2Confident68.8Low137 Ų137111.5 Ų111.552%0.51754%0.542SS..Hα-helixtrans-62.3-30.8174.7-172.2177.6-67.5-175-4.3113.5K414 G420 W427K414-R416 HydrophobicContact CD-CB 4.48Å; K414-R416 HydrophobicContact CG-CB 4.37Å; K414-R416 PolarHBondContact O-N 3.12Å; R416-G420 VanDerWaalsContact O-CA 3.3Å; R416-G420 WeakPolarHBondContact O-CA 3.15Å; R416-G420 PolarHBondContact O-N 3.37Å; R416-W427 HydrophobicContact CB-CH2 4.04Å; R416-W427 HydrophobicContact CB-CZ2 3.65Å; R416-W427 HydrophobicContact CG-CH2 3.87Å; R416-W427 HydrophobicContact CG-CZ2 3.6Å
417K82.7Confident70.7Confident166 Ų166100.5 Ų100.572%0.72250%0.501SS*.Hα-helixtrans-80.7-32178.3-172.467.5174178.90111.6K414 C415K414-K417 HydrophobicContact CG-CB 3.74Å; K414-K417 WeakPolarHBondContact O-CA 3.31Å; K414-K417 WeakPolarHBondContact O-CB 3.16Å; K414-K417 PolarHBondContact O-N 3.31Å; C415-K417 VanDerWaalsContact C-N 3.27Å; C415-K417 PolarHBondContact O-N 3.28Å
418V79.9Confident72.8Confident60 Ų6091.9 Ų91.936%0.36447%0.465SS..Hα-helixtrans-85.2-47.9-179.1-179.10000112K413 K414 C415 F440K413-V418 HydrophobicContact CB-CG2 3.86Å; K414-V418 PolarHBondContact O-N 3.35Å; C415-V418 PolarHBondContact O-N 3.33Å; V418-F440 HydrophobicContact CB-CE2 4.31Å; V418-F440 HydrophobicContact CB-CZ 4.24Å; V418-F440 HydrophobicContact CG1-CE2 4.49Å; V418-F440 HydrophobicContact CG1-CZ 3.93Å; V418-F440 HydrophobicContact CG2-CD2 4.37Å; V418-F440 HydrophobicContact CG2-CE2 3.94Å; V418-F440 HydrophobicContact CG2-CZ 4.06Å
419Y80.7Confident74.6Confident58 Ų5892.9 Ų92.923%0.22745%0.453CS..Hα-helixtrans-98.2-10.8-172.9-63.1-74.2000113.9C415 R423 Q426 F440C415-Y419 HydrophobicContact CB-CD2 4.09Å; C415-Y419 WeakPolarHBondContact O-CB 3.49Å; C415-Y419 PolarHBondContact O-N 3.27Å; Y419-R423 PolarHBondContact O-NE 3.37Å; Y419-Q426 HydrophobicContact CD1-CB 4.11Å; Y419-Q426 HydrophobicContact CE1-CB 4.4Å; Y419-Q426 HydrophobicContact CG-CB 4.18Å; Y419-F440 HydrophobicContact CE2-CE2 4.08Å; Y419-F440 AromaticContact CE2-CZ 3.79Å; Y419-F440 HydrophobicContact CE2-CZ 3.79Å
420G82.1Confident76.1Confident29 Ų2982.5 Ų82.530%0.29942%0.42SS..THydrogen-bonded Turntrans76.9178.6-173.200000112.8R416 W427R416-G420 VanDerWaalsContact O-CA 3.3Å; R416-G420 WeakPolarHBondContact O-CA 3.15Å; R416-G420 PolarHBondContact O-N 3.37Å; G420-W427 VanDerWaalsContact O-CZ2 3.31Å; G420-W427 WeakPolarHBondContact O-CZ2 3.49Å; G420-W427 PolarHBondContact O-NE1 3.28Å
421V82.2Confident77.8Confident76 Ų7680.7 Ų80.746%0.46140%0.399SS..THydrogen-bonded Turntrans-80.1-16.9177.972.90000113.8K424 W427V421-K424 WeakPolarHBondContact O-CE 3.26Å; V421-K424 WeakPolarHBondContact O-CG 3.41Å; V421-W427 HydrophobicContact CG2-CH2 4.43Å
422E81.9Confident79.1Confident171 Ų17181.8 Ų81.880%0.79940%0.397SS*.THydrogen-bonded Turntrans-75.5-37.5-179.3-67.5-61.512000112.4K424E422-K424 PolarHBondContact O-N 3.38Å
423R80.2Confident79.6Confident121 Ų12188.9 Ų88.946%0.45742%0.415SS..  trans-99.961-176.5-63.9-177.9-64.9-179.5-2.2112.4Y419 D425 Q426 W427Y419-R423 PolarHBondContact O-NE 3.37Å; R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 VanDerWaalsContact CA-OD1 3.28Å; R423-D425 WeakPolarHBondContact CA-OD1 3.33Å; R423-D425 PolarHBondContact O-N 2.82Å; R423-Q426 HydrophobicContact CB-CG 4.37Å; R423-Q426 PolarHBondContact O-N 2.07Å; R423-W427 PolarHBondContact O-NE1 3.33Å
424K82.8Confident79.5Confident119 Ų11990.7 Ų90.752%0.51742%0.423SS..  trans-68.9-25.1-179.8-60.9176.4-178166.50112.9V421 E422 Q426 W427V421-K424 WeakPolarHBondContact O-CE 3.26Å; V421-K424 WeakPolarHBondContact O-CG 3.41Å; E422-K424 PolarHBondContact O-N 3.38Å; K424-Q426 VanDerWaalsContact C-N 3.26Å; K424-Q426 PolarHBondContact O-N 3.02Å; K424-W427 HydrophobicContact CB-CD2 4.47Å; K424-W427 HydrophobicContact CG-CH2 4.16Å; K424-W427 HydrophobicContact CG-CZ2 4.15Å; K424-W427 HydrophobicContact CG-CZ3 4.44Å; K424-W427 WeakPolarHBondContact O-CB 3.3Å; K424-W427 PolarHBondContact O-N 3.28Å
425D85.3Confident78.7Confident108 Ų10895.5 Ų95.558%0.57844%0.444SS*.THydrogen-bonded Turntrans-59-38.3173.562.2-50.9000111.5R423 W427R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 VanDerWaalsContact CA-OD1 3.28Å; R423-D425 WeakPolarHBondContact CA-OD1 3.33Å; R423-D425 PolarHBondContact O-N 2.82Å; D425-W427 VanDerWaalsContact C-N 3.25Å; D425-W427 PolarHBondContact O-N 3.34Å
426Q82.4Confident77.7Confident74 Ų7498.2 Ų98.235%0.34647%0.466SS..THydrogen-bonded Turntrans-81.5-1.9179-54.8-172.62800113.5Y419 R423 K424Y419-Q426 HydrophobicContact CD1-CB 4.11Å; Y419-Q426 HydrophobicContact CE1-CB 4.4Å; Y419-Q426 HydrophobicContact CG-CB 4.18Å; R423-Q426 HydrophobicContact CB-CG 4.37Å; R423-Q426 PolarHBondContact O-N 2.07Å; K424-Q426 VanDerWaalsContact C-N 3.26Å; K424-Q426 PolarHBondContact O-N 3.02Å
427W87.8Confident77.2Confident17 Ų1792.2 Ų92.26%0.06445%0.445CS..SBendtrans-74.3137.9177.6-67.411000111C415 R416 G420 V421 R423 K424 D425 C431 R432C415-W427 HydrophobicContact CB-CB 3.99Å; C415-W427 HydrophobicContact CB-CG 3.81Å; R416-W427 HydrophobicContact CB-CH2 4.04Å; R416-W427 HydrophobicContact CB-CZ2 3.65Å; R416-W427 HydrophobicContact CG-CH2 3.87Å; R416-W427 HydrophobicContact CG-CZ2 3.6Å; G420-W427 VanDerWaalsContact O-CZ2 3.31Å; G420-W427 WeakPolarHBondContact O-CZ2 3.49Å; G420-W427 PolarHBondContact O-NE1 3.28Å; V421-W427 HydrophobicContact CG2-CH2 4.43Å; R423-W427 PolarHBondContact O-NE1 3.33Å; K424-W427 HydrophobicContact CB-CD2 4.47Å; K424-W427 HydrophobicContact CG-CH2 4.16Å; K424-W427 HydrophobicContact CG-CZ2 4.15Å; K424-W427 HydrophobicContact CG-CZ3 4.44Å; K424-W427 WeakPolarHBondContact O-CB 3.3Å; K424-W427 PolarHBondContact O-N 3.28Å; D425-W427 VanDerWaalsContact C-N 3.25Å; D425-W427 PolarHBondContact O-N 3.34Å; W427-C431 HydrophobicContact CB-CB 4.38Å; W427-R432 HydrophobicContact CB-CG 4.17Å
428C84.4Confident76.4Confident16 Ų1692.5 Ų92.511%0.10845%0.449CS..  trans-56.3147.4170.7930000110.4C415 A430 C431 R432C415-C428 PolarHBondContact SG-N 3.35Å; C415-C428 VanDerWaalsContact SG-N 3.41Å; C428-A430 VanDerWaalsContact C-N 3.27Å; C428-A430 PolarHBondContact O-N 2.9Å; C428-C431 HydrophobicContact CB-CB 4.13Å; C428-C431 WeakPolarHBondContact CB-SG 3.47Å; C428-C431 WeakPolarHBondContact O-CA 3.46Å; C428-C431 VanDerWaalsContact O-CB 3.26Å; C428-C431 WeakPolarHBondContact O-CB 3.29Å; C428-C431 PolarHBondContact O-N 3.28Å; C428-C431 WeakPolarHBondContact SG-CB 3.39Å; C428-C431 PolarHBondContact SG-N 2.86Å; C428-C431 CovalentContact SG-SG 2.07Å; C428-C431 PolarHBondContact SG-SG 2.79Å; C428-R432 PolarHBondContact O-N 3.48Å
429T79.7Confident75.7Confident112 Ų11297.8 Ų97.869%0.68746%0.463SS*.Hα-helixtrans-56.8-43.2-179.548.70000111.1C431 R432 W433T429-C431 PolarHBondContact O-N 2.92Å; T429-R432 PolarHBondContact O-N 2.85Å; T429-W433 PolarHBondContact O-NE1 3.33Å
430A76.6Confident74.7Confident28 Ų2897.7 Ų97.723%0.23146%0.464CS..Hα-helixtrans-60.8-28.1174.700000113.8C428 K434 A436C428-A430 VanDerWaalsContact C-N 3.27Å; C428-A430 PolarHBondContact O-N 2.9Å; A430-K434 CarbonylContact O-C 3.55Å; A430-K434 WeakPolarHBondContact O-CA 3.13Å; A430-K434 WeakPolarHBondContact O-CB 3.46Å; A430-K434 PolarHBondContact O-N 2.78Å; A430-A436 WeakPolarHBondContact CB-O 3.15Å
431C80.9Confident73.4Confident16 Ų16101.6 Ų101.611%0.10848%0.484CS..Hα-helixtrans-83.9-17.1-177.8-53.50000113.4C415 W427 C428 T429 W433 C437C415-C431 HydrophobicContact CB-CB 3.94Å; C415-C431 PolarHBondContact SG-SG 3.33Å; W427-C431 HydrophobicContact CB-CB 4.38Å; C428-C431 HydrophobicContact CB-CB 4.13Å; C428-C431 WeakPolarHBondContact CB-SG 3.47Å; C428-C431 WeakPolarHBondContact O-CA 3.46Å; C428-C431 VanDerWaalsContact O-CB 3.26Å; C428-C431 WeakPolarHBondContact O-CB 3.29Å; C428-C431 PolarHBondContact O-N 3.28Å; C428-C431 WeakPolarHBondContact SG-CB 3.39Å; C428-C431 PolarHBondContact SG-N 2.86Å; C428-C431 CovalentContact SG-SG 2.07Å; C428-C431 PolarHBondContact SG-SG 2.79Å; T429-C431 PolarHBondContact O-N 2.92Å; C431-W433 VanDerWaalsContact C-N 3.34Å; C431-C437 WeakPolarHBondContact SG-CB 3.39Å; C431-C437 PolarHBondContact SG-SG 3.02Å
432R72.1Confident72Confident149 Ų149106 Ų10656%0.56251%0.505SS*.Hα-helixtrans-70.2-33177.7-76.2-176174.8-1601.8112W427 C428 T429W427-R432 HydrophobicContact CB-CG 4.17Å; C428-R432 PolarHBondContact O-N 3.48Å; T429-R432 PolarHBondContact O-N 2.85Å
433W65.5Low71.5Confident190 Ų190102.8 Ų102.872%0.7249%0.49SS*.Hα-helixtrans-128.1-13.6-174.151.4-77.1000114.6T429 C431T429-W433 PolarHBondContact O-NE1 3.33Å; C431-W433 VanDerWaalsContact C-N 3.34Å
434K61.3Low71.1Confident140 Ų140101.8 Ų101.861%0.60949%0.492SS*.SBendtrans-133.2160.3179.1-108.5174.7-179174.10113.5A430 A436A430-K434 CarbonylContact O-C 3.55Å; A430-K434 WeakPolarHBondContact O-CA 3.13Å; A430-K434 WeakPolarHBondContact O-CB 3.46Å; A430-K434 PolarHBondContact O-N 2.78Å; K434-A436 VanDerWaalsContact C-N 3.32Å; K434-A436 PolarHBondContact O-N 3.43Å
435K59.9Low70.4Confident219 Ų219100.9 Ų100.995%0.95249%0.49SS*.SBendtrans-86.523-179-65.1-166.6-176.5-173.30114.7
436A58.5Low69.5Low56 Ų56100.5 Ų100.546%0.46349%0.485SS..  trans-119.6114.4177.100000109A430 K434A430-A436 WeakPolarHBondContact CB-O 3.15Å; K434-A436 VanDerWaalsContact C-N 3.32Å; K434-A436 PolarHBondContact O-N 3.43Å
437C73.5Confident68.7Low12 Ų12102.1 Ų102.18%0.08149%0.494CS..  trans-98.5121.4173.6-173.90000108.4C415 C431C415-C437 VanDerWaalsContact SG-SG 3.61Å; C431-C437 WeakPolarHBondContact SG-CB 3.39Å; C431-C437 PolarHBondContact SG-SG 3.02Å
438Q66.3Low67.5Low172 Ų172107.8 Ų107.880%0.80452%0.523SS*.SBendtrans-90.5-12.3178.3-143.4105.19.300112.9
439R64.8Low66.2Low171 Ų171114.4 Ų114.465%0.64555%0.552SS**SBendtrans-79.9-23.4-173.3-102.4-173.3177.5-166.5-1.8114P441R439-P441 WeakPolarHBondContact O-CD 3.32Å
440F60.6Low65.2Low56 Ų56114.5 Ų114.525%0.24654%0.542CS..SBendtrans-113.497175.8-58-74.3000106.8K413 V418 Y419K413-F440 WeakPolarHBondContact O-CD2 3.33Å; V418-F440 HydrophobicContact CB-CE2 4.31Å; V418-F440 HydrophobicContact CB-CZ 4.24Å; V418-F440 HydrophobicContact CG1-CE2 4.49Å; V418-F440 HydrophobicContact CG1-CZ 3.93Å; V418-F440 HydrophobicContact CG2-CD2 4.37Å; V418-F440 HydrophobicContact CG2-CE2 3.94Å; V418-F440 HydrophobicContact CG2-CZ 4.06Å; Y419-F440 HydrophobicContact CE2-CE2 4.08Å; Y419-F440 AromaticContact CE2-CZ 3.79Å; Y419-F440 HydrophobicContact CE2-CZ 3.79Å
441P54.7Low64.3Low111 Ų111121.8 Ų121.872%0.72157%0.568SS**  trans-58.9146.2157.227.9-31.1000108.1R439R439-P441 WeakPolarHBondContact O-CD 3.32Å
442D53Low62.8Low169 Ų169131.4 Ų131.490%0.90461%0.61SS**  trans-47.40174.7-172.4-111.1000111.6E411E411-D442 PolarHBondContact N-OD2 3.37Å

Retrieved 442 of 442 residues in 113.8 ms (Link to these results)