A0A087WQ84_MOUSE Loading...

F-box and leucine-rich repeat protein 19

AlphaFold DB , UniProt , Accession A0A087WQ84, Species MOUSE (Mus musculus, Mouse), Gene Fbxl19, Length 382 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.7Very low35.3Very low210 Ų210124.5 Ų124.5100%1.03465%0.647SS**  020.10-144.9-176.2-89.200113.4
2C30.4Very low34.8Very low52 Ų52124.3 Ų124.335%0.35166%0.664SS.*  trans-136.335.9-178.1-74.50000113.6R134C2-R134 HydrophobicContact CB-CG 4.2Å
3Q33.3Very low34.3Very low171 Ų171123.2 Ų123.280%0.79967%0.672SS**  trans-93.724.2170.3-77.4-179.7-14.300112.1L5Q3-L5 PolarHBondContact O-N 3.09Å
4L45.6Very low33.9Very low50 Ų50123 Ų12326%0.26268%0.684SS.*SBendtrans-84.8-6.4-158.9-111154.2000114.6R157 M164L4-R157 PolarHBondContact O-NH2 3.47Å; L4-M164 HydrophobicContact CD1-CG 4.49Å; L4-M164 HydrophobicContact CD2-CB 3.81Å; L4-M164 HydrophobicContact CD2-CE 3.4Å; L4-M164 VanDerWaalsContact CD2-CE 3.4Å; L4-M164 HydrophobicContact CD2-CG 3.29Å; L4-M164 HydrophobicContact CD2-SD 3.79Å; L4-M164 HydrophobicContact CG-CG 4.27Å
5L41Very low33.5Very low40 Ų40122.6 Ų122.621%0.20969%0.693CS.*SBendtrans-139.87-172.4-71.2175.2000116.7Q3 R7 P126 R127Q3-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.21Å; L5-P126 HydrophobicContact CD1-CB 4.14Å; L5-R127 HydrophobicContact CB-CG 3.91Å; L5-R127 HydrophobicContact CD1-CG 4.09Å; L5-R127 PolarHBondContact O-NE 3.14Å; L5-R127 VanDerWaalsContact O-NE 3.1Å; L5-R127 PolarHBondContact O-NH2 3.1Å
6E33.6Very low33.3Very low146 Ų146121.4 Ų121.468%0.68270%0.695SS**PPolyproline II helixtrans-68.6123.6175.4-75.4171.6-177.600110
7R38.4Very low32.9Very low181 Ų181122.9 Ų122.968%0.68370%0.701SS**PPolyproline II helixtrans-99.8127.6156.5-90.5-174.1179151.23.5104.7L5L5-R7 PolarHBondContact O-N 3.21Å
8V34.9Very low32.9Very low121 Ų121121.4 Ų121.473%0.73370%0.699SS**PPolyproline II helixtrans-79.9131.2157.5-179.70000106.1D10V8-D10 PolarHBondContact O-N 2.81Å
9P32.1Very low32.6Very low110 Ų110124.1 Ų124.171%0.71471%0.711SS**PPolyproline II helixtrans-72.5120.9169.527.5-28.6000109T11P9-T11 PolarHBondContact O-N 2.79Å
10D29.7Very low32.6Very low157 Ų157122.9 Ų122.984%0.8471%0.71SS**  trans-73.1108.2169.5-68.1-37.4000108.1V8 S12V8-D10 PolarHBondContact O-N 2.81Å; D10-S12 PolarHBondContact O-N 3.42Å
11T30.5Very low32.4Very low132 Ų132124.1 Ų124.181%0.8171%0.714SS**  trans-73.5106.8164.350.10000107.9P9 S13P9-T11 PolarHBondContact O-N 2.79Å; T11-S13 PolarHBondContact O-N 3.33Å
12S29Very low32.2Very low121 Ų121118.9 Ų118.985%0.84670%0.698SS**  trans-69.7112.5166.751.60000109.7D10D10-S12 PolarHBondContact O-N 3.42Å
13S28.6Very low32Very low111 Ų111123.6 Ų123.678%0.77672%0.72SS**  trans-121.5112.2152.655.50000108T11T11-S13 PolarHBondContact O-N 3.33Å
14S29.5Very low31.9Very low120 Ų120120.7 Ų120.784%0.83972%0.719SS**  trans-60.7136.5170.949.10000112.2
15S27.3Very low31.2Very low117 Ų117124.1 Ų124.182%0.81875%0.746SS**  trans-154.6106144.356.40000108.6
16S29.6Very low30.6Very low104 Ų104126 Ų12673%0.72778%0.776SS**  trans-70137.1160.839.50000110.1
17D27.3Very low30.4Very low147 Ų147125.5 Ų125.579%0.78678%0.783SS**  trans-171.4113.5136-88.9-32000107
18S32.1Very low30Very low96 Ų96121.8 Ų121.867%0.67179%0.785SS**  72.4102.786.9-55.50000111.1
19D27.6Very low29.7Very low172 Ų172123.8 Ų123.892%0.9279%0.79SS**  trans-161.5140.5142.1-97.3-26.1000111.9
20S32.3Very low29.5Very low100 Ų100124.1 Ų124.170%0.69980%0.795SS**  trans-91.8172.6-168.3-53.70000112.6
21D29.2Very low29.5Very low148 Ų148124.8 Ų124.879%0.79179%0.794SS**  trans111.5119.5141-68.5-17.9000120.6
22S33.4Very low29.4Very low100 Ų100125.8 Ų125.870%0.69979%0.794SS**  trans97.2104133.1-610000120.5
23D27.4Very low29.3Very low152 Ų152128.9 Ų128.981%0.81380%0.795SS**  49.1124.4121.6-71.1-17.5000121
24S31.9Very low29.3Very low110 Ų110127.7 Ų127.777%0.76979%0.792SS**  -176.6114.1110.1-77.30000112.8
25S30Very low30.1Very low121 Ų121128.1 Ų128.185%0.84679%0.792SS**  trans19.3135136.754.90000122.1
26G28.6Very low30.1Very low80 Ų80126 Ų12683%0.82579%0.788SS**  trans169.572.7156.600000116.2
27T29.3Very low30Very low136 Ų136130.2 Ų130.283%0.83480%0.797SS**  trans-66.5159.215545.60000109.6
28S30.1Very low30Very low103 Ų103127.2 Ų127.272%0.7279%0.792SS**  cis-175.3151.510.934.80000108.8
29L28.3Very low29.9Very low162 Ų162134.7 Ų134.785%0.84881%0.805SS**  trans8.4137.5144.4-65.4151.4000121.3
30S28.1Very low29.9Very low118 Ų118134.4 Ų134.483%0.82580%0.804SS**  -176.4141.7112.755.10000113.6
31E29.6Very low29.7Very low171 Ų171133.5 Ų133.580%0.79981%0.81SS**  trans-73.1158.9171-63.6161111.400111.8
32D27.6Very low29.6Very low152 Ų152137.5 Ų137.581%0.81382%0.815SS**  178.6131.4124.7-94.9-35.9000114.8
33E27.6Very low29.4Very low186 Ų186144 Ų14487%0.86982%0.824SS**  trans32.7149.4145.3-84.9-160.6105.500127.7
34A28.8Very low30Very low86 Ų86142.6 Ų142.671%0.71182%0.823SS**  trans-86.2-153.217900000112
35P45.3Very low29.8Very low129 Ų129141.4 Ų141.484%0.83882%0.82SS**  cis-144.6-170.8-3.739-15.8000117.1
36G27.2Very low29.7Very low73 Ų73147.8 Ų147.875%0.75383%0.825SS**  trans111.2141.5155.700000116
37E28.3Very low29.6Very low193 Ų193147.3 Ų147.390%0.90282%0.82SS**  cis-171.71490.8-146.6178.7139.500109.9
38A27.1Very low29.5Very low83 Ų83146 Ų14669%0.68682%0.817SS**  trans32.1132152.600000124.3
39R29.7Very low29.3Very low253 Ų253146.6 Ų146.696%0.95582%0.821SS**  -175.6146.4104.7-106.2173.5161.5-178.6-4.9116.5
40N28.3Very low29.3Very low166 Ų166141.8 Ų141.889%0.88881%0.81SS**  trans-57.4159.3179-98.2-30000117.7
41G27Very low29.2Very low81 Ų81144 Ų14484%0.83581%0.808SS**  trans1769815300000115
42R28.7Very low29.1Very low233 Ų233143.8 Ų143.888%0.87980%0.804SS**  trans-89.7139.7177.9-79.7176.5167.1-165.7-1.9112.9
43R27.6Very low29.1Very low236 Ų236143.5 Ų143.589%0.89180%0.798SS**  trans56172.9139-78.1-172177.2-168.10.1118.9
44P40Very low29Very low122 Ų122139.6 Ų139.679%0.79278%0.783SS**  cis-132.7-158.96.620.58.2000111.7
45A29Very low29.1Very low85 Ų85146.7 Ų146.770%0.70279%0.791SS**  cis-173.6179-38.500000107.1
46R27.9Very low28.3Very low256 Ų256144.2 Ų144.297%0.96679%0.789SS**  trans81.2136.8165.1-66.3175.9149.8-163.9-6.3116.6
47G25.8Very low28.5Very low69 Ų69144.3 Ų144.371%0.71179%0.79SS**  cis158.4129.60.200000111.1
48S26.6Very low28.6Very low110 Ų110147.2 Ų147.277%0.76979%0.792SS**  trans74130.8140.4-155.90000121.8
49S27.2Very low28.7Very low115 Ų115154.7 Ų154.780%0.80480%0.803SS**  trans65.6136.4136.256.70000118.2
50G27.3Very low29Very low61 Ų61146.9 Ų146.963%0.62979%0.793SS**  cis171.3139.914.500000104.8
51E26.4Very low29.2Very low164 Ų164146.7 Ų146.777%0.76679%0.79SS**  72.7131.9124.1-87-169.1111.100118.6
52K28.7Very low29.8Very low167 Ų167154.5 Ų154.573%0.72679%0.794SS**  trans74.6149.4150.8-69.2173.6-175.9173.40116.8
53E26.3Very low30.2Very low145 Ų145149.1 Ų149.168%0.67879%0.789SS**  cis-173.2151.7-23.6-159.5179.4118.200103.1
54N26.4Very low30.4Very low105 Ų105141.3 Ų141.356%0.56178%0.782SS**  trans63.1119.9146.7-101.7-22.2000122.2
55R29.6Very low30.4Very low235 Ų235142.7 Ų142.789%0.88779%0.789SS**  53.2120.4121.5-79176.7-178.2180-1.4118.2
56G28.5Very low30.5Very low77 Ų77142.8 Ų142.879%0.79480%0.798SS**  trans175.283.2150.700000111.7
57G31.3Very low31Very low74 Ų74133.9 Ų133.976%0.76379%0.786SS**  trans-63.5147.3165.600000110.5
58R31.2Very low31.8Very low254 Ų254137 Ų13796%0.95879%0.793SS**  trans-167146.6137.5-106.6164179.3-152.6-0.8111.4
59R29.4Very low32.4Very low241 Ų241140 Ų14091%0.90980%0.8SS**  trans-66.2151.5-172.4-78.7171160.4-176.8-6.1113.2
60A35.3Very low33.1Very low89 Ų89142.9 Ų142.974%0.73681%0.805SS**  trans61.2123.5135.600000118.7
61I32.2Very low33.8Very low161 Ų161145.4 Ų145.483%0.82681%0.813SS**  -156.1126.4125.5-82.6128.2000106.5
62R40.4Very low34.5Very low245 Ų245148.7 Ų148.793%0.92582%0.819SS**  trans-85.1137.7161.2-82.1-178.9161.7-170.5-4.9108
63P37Very low35.2Very low120 Ų120146.1 Ų146.178%0.77982%0.819SS**  trans-120.5142133.119.6-0.8000108
64G32.7Very low36.6Very low72 Ų72147.5 Ų147.574%0.74283%0.83SS**  98.696.164.500000107.2
65T39Very low37.9Very low152 Ų152145.3 Ų145.393%0.93383%0.832SS**  trans-29136.8172.237.10000117.6
66G32.4Very low39.1Very low86 Ų86140.5 Ų140.589%0.88783%0.831SS**  trans147.4109.6148.800000116.1
67G37Very low40.3Very low70 Ų70141 Ų14172%0.72283%0.828SS**  trans120.1137.3155.500000116.5
68P42.1Very low41.5Very low133 Ų133143 Ų14386%0.86483%0.828SS**PPolyproline II helixtrans-84.2126-157.233-32.8000113.1
69L39.9Very low43Very low173 Ų173136.3 Ų136.391%0.90682%0.817SS**PPolyproline II helixtrans-85121.9166.4-72.6170.1000109.2S71L69-S71 PolarHBondContact O-N 3.04Å
70L43Very low44.5Very low176 Ų176130.6 Ų130.692%0.92181%0.811SS**PPolyproline II helixtrans-49.4117.6171.3-63.6162.6000109.6W72L70-W72 PolarHBondContact O-N 3.12Å
71S41.2Very low45.1Very low114 Ų114137.5 Ų137.580%0.79782%0.818SS**PPolyproline II helixtrans-69.4118.2-179.153.90000110.8L69L69-S71 PolarHBondContact O-N 3.04Å
72W41.6Very low45.8Very low234 Ų234135 Ų13589%0.88681%0.813SS**PPolyproline II helixtrans-66.5136.6167.2-147-83000109.3L70 L74L70-W72 PolarHBondContact O-N 3.12Å; W72-L74 PolarHBondContact O-N 3.36Å
73P43.6Very low46.2Very low112 Ų112129.3 Ų129.373%0.72781%0.807SS**PPolyproline II helixtrans-61.7128.5178.2-17.829.1000110.3G75P73-G75 PolarHBondContact O-N 2.92Å
74L54.1Low46.6Very low175 Ų175132.2 Ų132.292%0.91681%0.811SS**  trans-57.7110.1169.8-72.7160.8000108.5W72W72-L74 PolarHBondContact O-N 3.36Å
75G54.2Low46.9Very low58 Ų58136.3 Ų136.360%0.59882%0.815SS**PPolyproline II helixtrans-58.9152167.400000110.5P73 A77P73-G75 PolarHBondContact O-N 2.92Å; G75-A77 PolarHBondContact O-N 2.72Å
76P54.8Low47Very low134 Ų134136.7 Ų136.787%0.8781%0.806SS**PPolyproline II helixtrans-57.4133.2-175.121.4-30.9000111
77A54.7Low47.5Very low88 Ų88143.7 Ų143.773%0.72781%0.805SS**PPolyproline II helixtrans-56.3141178.600000110.6G75G75-A77 PolarHBondContact O-N 2.72Å
78P56.3Low47.9Very low116 Ų116147.5 Ų147.575%0.75380%0.804SS**PPolyproline II helixtrans-58.4143.7176.224.3-32.6000110
79P62.4Low48.5Very low113 Ų113145.9 Ų145.973%0.73479%0.792SS**PPolyproline II helixtrans-58.5148.8-178.223.9-33.2000110.9R81P79-R81 PolarHBondContact O-N 3.13Å
80P59.7Low49.3Very low122 Ų122138 Ų13879%0.79275%0.751SS**PPolyproline II helixtrans-56.1135.1179.123-32.3000109.9
81R49.3Very low50Low234 Ų234138.9 Ų138.988%0.88374%0.742SS**PPolyproline II helixtrans-53131.6174.6-69.2179.9-127.3-114.9-1.1108.1P79P79-R81 PolarHBondContact O-N 3.13Å
82P46.2Very low50.8Low109 Ų109136.8 Ų136.871%0.70873%0.725SS**PPolyproline II helixtrans-55.6143.8176.521.9-31.1000109.3Q84P82-Q84 PolarHBondContact O-N 3.19Å
83P49.2Very low51.5Low124 Ų124127.8 Ų127.881%0.80570%0.697SS**PPolyproline II helixtrans-52.3118.6-177.819.3-30.5000108.9L85P83-L85 PolarHBondContact O-N 2.62Å
84Q44.4Very low52.1Low182 Ų182127 Ų12785%0.8569%0.692SS**  trans-63.8107.1-174.6-161.4166.5-7.500107.1P82 E86P82-Q84 PolarHBondContact O-N 3.19Å; Q84-E86 PolarHBondContact O-N 3.05Å
85L40.4Very low52.2Low158 Ų158129.6 Ų129.683%0.82769%0.689SS**  trans-56.7110.8174.2-130.992.6000106.7P83 R87P83-L85 PolarHBondContact O-N 2.62Å; L85-R87 VanDerWaalsContact C-N 3.35Å; L85-R87 PolarHBondContact O-N 3.04Å
86E39.5Very low52.1Low160 Ų160130.6 Ų130.675%0.74869%0.687SS**  trans-47.9100173.6-83.4-86.1145.500107.9Q84 H88Q84-E86 PolarHBondContact O-N 3.05Å; E86-H88 PolarHBondContact O-N 3.41Å; E86-H88 PolarHBondContact O-ND1 3.44Å
87R43.3Very low52.4Low232 Ų232125.7 Ų125.788%0.87566%0.655SS**  trans-68.188.2175.5-72.217786.2-170.28.5105.3L85 V89L85-R87 VanDerWaalsContact C-N 3.35Å; L85-R87 PolarHBondContact O-N 3.04Å; R87-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 PolarHBondContact O-N 3.05Å
88H46.7Very low52.7Low150 Ų150129.2 Ų129.269%0.69466%0.657SS**  trans-54.7103.1177.2-78.367.2000107.9E86 V90E86-H88 PolarHBondContact O-N 3.41Å; E86-H88 PolarHBondContact O-ND1 3.44Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 PolarHBondContact O-N 3.11Å
89V54.4Low53.4Low100 Ų100125.4 Ų125.461%0.60663%0.632SS**  trans-73.289.3177.9-177.90000106.3R87 R91R87-V89 WeakPolarHBondContact O-CG2 3.46Å; R87-V89 PolarHBondContact O-N 3.05Å; V89-R91 HydrophobicContact CG1-CG 4.1Å; V89-R91 PolarHBondContact O-N 2.83Å
90V56.6Low54.1Low7 Ų7125.2 Ų125.24%0.04263%0.625CS.*  trans-70.399.4173.3-1750000107.5H88 V169 R170 W190 R194H88-V90 VanDerWaalsContact C-N 3.26Å; H88-V90 PolarHBondContact O-N 3.11Å; V90-V169 HydrophobicContact CG1-CB 4.33Å; V90-V169 HydrophobicContact CG1-CG1 4.01Å; V90-R170 HydrophobicContact CG1-CG 4.04Å; V90-W190 HydrophobicContact CB-CH2 4.33Å; V90-W190 HydrophobicContact CB-CZ2 4.23Å; V90-W190 HydrophobicContact CG2-CH2 4.41Å; V90-W190 HydrophobicContact CG2-CZ2 4.28Å; V90-R194 PolarHBondContact O-NH1 3.21Å
91R57.8Low55.2Low195 Ų195121.4 Ų121.474%0.73660%0.599SS**PPolyproline II helixtrans-79.8144.3170-62.5-175.4-173.9-179.21.8108.9V89V89-R91 HydrophobicContact CG1-CG 4.1Å; V89-R91 PolarHBondContact O-N 2.83Å
92P58Low56.9Low70 Ų70111.1 Ų111.146%0.45556%0.562SS.*PPolyproline II helixtrans-53.2137.9166.7-19.130.2000108.8Q172P92-Q172 HydrophobicContact CB-CG 4.46Å
93P55.2Low58.8Low45 Ų45109.2 Ų109.229%0.29255%0.55SS..PPolyproline II helixtrans-59.4144.8178.123.1-32.1000109.9R170P93-R170 WeakPolarHBondContact CD-O 3.32Å; P93-R170 WeakPolarHBondContact CG-O 3.41Å
94P56.5Low60.5Low95 Ų95106.6 Ų106.662%0.61753%0.529SS*.PPolyproline II helixtrans-53.7149.3172.321.8-30.8000110S96P94-S96 PolarHBondContact O-N 2.93Å
95R55.5Low62.2Low229 Ų229103.6 Ų103.686%0.86454%0.535SS*.SBendtrans-59.3-13.9-172.3-69.8-177.1173.9-136.61.7113.9
96S52.2Low64.2Low79 Ų79100.5 Ų100.555%0.55253%0.532SS*.SBendtrans-152.6101.517649.30000109.5P94 E98P94-S96 PolarHBondContact O-N 2.93Å; S96-E98 PolarHBondContact O-N 3.14Å
97P61.7Low66.2Low31 Ų3196.5 Ų96.520%0.20153%0.533CS..PPolyproline II helixtrans-75.8119.7168.328.7-28.8000108.8R141P97-R141 HydrophobicContact CB-CB 4.2Å; P97-R141 HydrophobicContact CG-CB 4.1Å
98E61.2Low68.1Low163 Ų16388.4 Ų88.476%0.76251%0.512SS*.SBendtrans-51147.5162.9-64.3174.1171.500110.1S96 R141S96-E98 PolarHBondContact O-N 3.14Å; E98-R141 PolarHBondContact O-NH1 3.01Å
99P70.2Confident70Confident35 Ų3585.5 Ų85.523%0.22750%0.502CS..PPolyproline II helixcis-92.2160.7333.3-33.7000115.2T101 T138 W142P99-T101 VanDerWaalsContact C-N 3.32Å; P99-T101 WeakPolarHBondContact CB-O 3.21Å; P99-T101 VanDerWaalsContact CG-O 3.23Å; P99-T101 WeakPolarHBondContact CG-O 3.26Å; P99-T138 HydrophobicContact CG-CG2 3.96Å; P99-W142 WeakPolarHBondContact O-CZ2 3.47Å; P99-W142 PolarHBondContact O-NE1 3.23Å
100D78.6Confident71.7Confident109 Ų10982.9 Ų82.958%0.58348%0.483SS*.SBendtrans-81-10.7175-83.9-29.8000113.8P113 R114D100-P113 CarbonylContact O-C 3.6Å; D100-R114 VanDerWaalsContact O-CB 3.26Å; D100-R114 WeakPolarHBondContact O-CB 3.4Å; D100-R114 PolarHBondContact O-N 3.09Å
101T81.8Confident73.2Confident42 Ų4288.1 Ų88.126%0.25852%0.517SS..SBendtrans-126.9158.817743.90000109.1P99 P103 D109P99-T101 VanDerWaalsContact C-N 3.32Å; P99-T101 WeakPolarHBondContact CB-O 3.21Å; P99-T101 VanDerWaalsContact CG-O 3.23Å; P99-T101 WeakPolarHBondContact CG-O 3.26Å; T101-P103 VanDerWaalsContact O-CD 3.29Å; T101-P103 WeakPolarHBondContact O-CD 3.41Å; T101-D109 WeakPolarHBondContact CB-OD2 3.45Å; T101-D109 HydrophobicContact CG2-CB 4.39Å; T101-D109 PolarHBondContact OG1-OD2 3.2Å
102L86.2Confident74.7Confident19 Ų1982.3 Ų82.310%0.09950%0.5CS..  trans-91.9111.2178.4175.471.6000108.9L104 H110 W117 T138 W142L102-L104 PolarHBondContact O-N 3.41Å; L102-H110 HydrophobicContact CB-CB 3.72Å; L102-H110 HydrophobicContact CD2-CB 4.31Å; L102-H110 HydrophobicContact CG-CB 4.37Å; L102-H110 VanDerWaalsContact O-CB 3.32Å; L102-H110 WeakPolarHBondContact O-CB 3.23Å; L102-H110 PolarHBondContact O-N 3.02Å; L102-W117 HydrophobicContact CD2-CZ2 4.33Å; L102-T138 HydrophobicContact CD1-CG2 3.82Å; L102-W142 HydrophobicContact CB-CH2 3.84Å; L102-W142 HydrophobicContact CB-CZ3 4.21Å
103P84.5Confident76.3Confident69 Ų6982.2 Ų82.245%0.44850%0.499SS..BIsolated β-bridgetrans-67.2131.6177.126.1-33.8000110.6T101 D109T101-P103 VanDerWaalsContact O-CD 3.29Å; T101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-D109 WeakPolarHBondContact CA-OD1 3.29Å
104L85.8Confident77.9Confident69 Ų6981.6 Ų81.636%0.36149%0.491SS..  trans-95.3157.3176.6-56175000110.4L102 A106 G107 S108 H110L102-L104 PolarHBondContact O-N 3.41Å; L104-A106 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact O-N 3.12Å; L104-G107 PolarHBondContact O-N 3.5Å; L104-S108 WeakPolarHBondContact CA-O 3.38Å; L104-S108 WeakPolarHBondContact CB-O 3.42Å; L104-S108 PolarHBondContact N-O 2.96Å; L104-H110 HydrophobicContact CD2-CB 4.2Å; L104-H110 HydrophobicContact CG-CB 4.37Å
105A80.9Confident79.5Confident119 Ų11980 Ų8098%0.98349%0.486SS*.THydrogen-bonded Turntrans-60.3-24.5-179.200000113.5G107A105-G107 PolarHBondContact O-N 2.99Å
106A81.1Confident81.3Confident93 Ų9369.9 Ų69.977%0.76945%0.452SS*.THydrogen-bonded Turntrans-77.82.4177.600000114.1L104 S108L104-A106 PolarHBondContact O-N 2.84Å; L104-A106 VanDerWaalsContact O-N 3.12Å; A106-S108 VanDerWaalsContact C-N 3.27Å; A106-S108 PolarHBondContact O-N 3.3Å
107G81.4Confident83.2Confident75 Ų7567.7 Ų67.777%0.77343%0.431SS*.SBendtrans82.6-3.2-178.500000114.7L104 A105L104-G107 PolarHBondContact O-N 3.5Å; A105-G107 PolarHBondContact O-N 2.99Å
108S84.6Confident84.7Confident62 Ų6266.9 Ų66.943%0.43443%0.425SS..PPolyproline II helixtrans-90.9158.5170.656.90000111.9L104 A106L104-S108 WeakPolarHBondContact CA-O 3.38Å; L104-S108 WeakPolarHBondContact CB-O 3.42Å; L104-S108 PolarHBondContact N-O 2.96Å; A106-S108 VanDerWaalsContact C-N 3.27Å; A106-S108 PolarHBondContact O-N 3.3Å
109D86.4Confident86.2Confident90 Ų9066.8 Ų66.848%0.48142%0.418SS..BIsolated β-bridgetrans-92.5144.6173.8-82.4-15.1000111.5T101 P103T101-D109 WeakPolarHBondContact CB-OD2 3.45Å; T101-D109 HydrophobicContact CG2-CB 4.39Å; T101-D109 PolarHBondContact OG1-OD2 3.2Å; P103-D109 WeakPolarHBondContact CA-OD1 3.29Å
110H88.6Confident87.4Confident45 Ų4568.5 Ų68.521%0.20843%0.428CS..PPolyproline II helixtrans-61.5136.7172.4-169.2-80.7000110.2L102 L104 L112 W117L102-H110 HydrophobicContact CB-CB 3.72Å; L102-H110 HydrophobicContact CD2-CB 4.31Å; L102-H110 HydrophobicContact CG-CB 4.37Å; L102-H110 VanDerWaalsContact O-CB 3.32Å; L102-H110 WeakPolarHBondContact O-CB 3.23Å; L102-H110 PolarHBondContact O-N 3.02Å; L104-H110 HydrophobicContact CD2-CB 4.2Å; L104-H110 HydrophobicContact CG-CB 4.37Å; H110-L112 VanDerWaalsContact C-N 3.25Å; H110-L112 WeakPolarHBondContact ND1-CB 3.33Å; H110-L112 PolarHBondContact ND1-N 3.43Å; H110-L112 PolarHBondContact O-N 3.28Å; H110-W117 AromaticContact CE1-CZ2 3.62Å; H110-W117 AromaticContact ND1-CZ2 3.92Å; H110-W117 AromaticContact ND1-NE1 3.67Å; H110-W117 AromaticContact NE2-CZ2 3.77Å
111P89Confident88.2Confident116 Ų11663.4 Ų63.475%0.75340%0.4SS*.SBendtrans-65-28.1-173.924.9-35.8000113.5P113P111-P113 WeakPolarHBondContact O-CD 3.46Å
112L89.9Confident88.8Confident74 Ų7467 Ų6739%0.38741%0.414SS..SBendtrans-74.9123.4175.9-63.5178.4000111.9H110 A116 W117H110-L112 VanDerWaalsContact C-N 3.25Å; H110-L112 WeakPolarHBondContact ND1-CB 3.33Å; H110-L112 PolarHBondContact ND1-N 3.43Å; H110-L112 PolarHBondContact O-N 3.28Å; L112-A116 HydrophobicContact CB-CB 4.28Å; L112-A116 HydrophobicContact CD2-CB 4.26Å; L112-W117 HydrophobicContact CD1-CZ2 4.38Å; L112-W117 PolarHBondContact O-NE1 3.29Å
113P90.5Very high89.3Confident67 Ų6773.6 Ų73.644%0.43544%0.444SS..  trans-73163.3174.731.7-35.9000111.3D100 P111 A115 A116 W117D100-P113 CarbonylContact O-C 3.6Å; P111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-A115 PolarHBondContact O-N 3.33Å; P113-A115 VanDerWaalsContact O-N 3.13Å; P113-A116 HydrophobicContact CG-CB 4.21Å; P113-A116 WeakPolarHBondContact O-CB 3.39Å; P113-A116 PolarHBondContact O-N 2.82Å; P113-W117 PolarHBondContact O-N 3.39Å
114R89.5Confident89.8Confident32 Ų3272.9 Ų72.912%0.12144%0.436CS..Hα-helixtrans-48.6-41.9176.9176.1179.5-178.5-89.8-9.1112.5D100 A116 W117 L118 W142 D145D100-R114 VanDerWaalsContact O-CB 3.26Å; D100-R114 WeakPolarHBondContact O-CB 3.4Å; D100-R114 PolarHBondContact O-N 3.09Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.97Å; R114-W117 PolarHBondContact O-N 3.41Å; R114-L118 HydrophobicContact CG-CD1 4.3Å; R114-L118 HydrophobicContact CG-CG 4.3Å; R114-L118 WeakPolarHBondContact O-CG 3.31Å; R114-L118 PolarHBondContact O-N 2.69Å; R114-W142 HydrophobicContact CB-CH2 4.32Å; R114-W142 HydrophobicContact CB-CZ2 3.79Å; R114-W142 HydrophobicContact CG-CD2 4.08Å; R114-W142 HydrophobicContact CG-CG 4.25Å; R114-W142 HydrophobicContact CG-CZ2 4.17Å; R114-D145 IonicContact CZ-OD2 3.86Å; R114-D145 IonicContact NH1-OD2 3.04Å; R114-D145 IonicContact NH2-OD2 2.68Å; R114-D145 PolarHBondContact NH2-OD2 2.98Å
115A89.9Confident90.1Very high62 Ų6270.9 Ų70.951%0.51243%0.432SS..Hα-helixtrans-61-37179.400000112.6P113 R119P113-A115 PolarHBondContact O-N 3.33Å; P113-A115 VanDerWaalsContact O-N 3.13Å; A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 2.92Å; A115-R119 VanDerWaalsContact O-N 3.11Å
116A92.5Very high90.6Very high16 Ų1668.5 Ų68.513%0.13241%0.406CS..Hα-helixtrans-70.2-41.9175.500000111.1L112 P113 R114 R119 V120L112-A116 HydrophobicContact CB-CB 4.28Å; L112-A116 HydrophobicContact CD2-CB 4.26Å; P113-A116 HydrophobicContact CG-CB 4.21Å; P113-A116 WeakPolarHBondContact O-CB 3.39Å; P113-A116 PolarHBondContact O-N 2.82Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.97Å; A116-R119 CarbonylContact O-C 3.57Å; A116-R119 WeakPolarHBondContact O-CA 3.33Å; A116-R119 WeakPolarHBondContact O-CB 3.47Å; A116-R119 PolarHBondContact O-N 3.14Å; A116-V120 PolarHBondContact O-N 2.89Å
117W92.9Very high91.1Very high33 Ų3370.5 Ų70.513%0.12539%0.394CS..Hα-helixtrans-62.6-42.7174.4-78108.3000113.2L102 H110 L112 P113 R114 R119 V120 F121 W139 W142L102-W117 HydrophobicContact CD2-CZ2 4.33Å; H110-W117 AromaticContact CE1-CZ2 3.62Å; H110-W117 AromaticContact ND1-CZ2 3.92Å; H110-W117 AromaticContact ND1-NE1 3.67Å; H110-W117 AromaticContact NE2-CZ2 3.77Å; L112-W117 HydrophobicContact CD1-CZ2 4.38Å; L112-W117 PolarHBondContact O-NE1 3.29Å; P113-W117 PolarHBondContact O-N 3.39Å; R114-W117 PolarHBondContact O-N 3.41Å; W117-R119 PolarHBondContact O-N 3.2Å; W117-V120 WeakPolarHBondContact O-CA 3.43Å; W117-V120 WeakPolarHBondContact O-CB 3.46Å; W117-V120 PolarHBondContact O-N 3.11Å; W117-F121 HydrophobicContact CB-CE2 4.17Å; W117-F121 HydrophobicContact CB-CZ 4.46Å; W117-F121 HydrophobicContact CE3-CE1 4.17Å; W117-F121 HydrophobicContact CE3-CZ 4.12Å; W117-F121 WeakPolarHBondContact O-CD2 3.03Å; W117-F121 VanDerWaalsContact O-CG 3.29Å; W117-F121 WeakPolarHBondContact O-CG 3.44Å; W117-F121 PolarHBondContact O-N 3.1Å; W117-W139 AromaticContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CH2-CH2 4.44Å; W117-W139 AromaticContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CZ2-CZ2 4.34Å; W117-W139 HydrophobicContact CZ3-CH2 4.03Å; W117-W139 AromaticContact CZ3-CZ2 3.36Å; W117-W139 HydrophobicContact CZ3-CZ2 3.36Å; W117-W142 HydrophobicContact CB-CE3 3.86Å; W117-W142 HydrophobicContact CB-CZ3 3.68Å; W117-W142 AromaticContact CD1-CH2 3.75Å; W117-W142 AromaticContact CD1-CZ3 3.31Å; W117-W142 HydrophobicContact CD2-CZ3 4.28Å; W117-W142 HydrophobicContact CG-CE3 4.11Å; W117-W142 HydrophobicContact CG-CH2 4.32Å; W117-W142 AromaticContact CG-CZ3 3.47Å; W117-W142 HydrophobicContact CG-CZ3 3.47Å; W117-W142 VanDerWaalsContact CG-CZ3 3.47Å; W117-W142 AromaticContact NE1-CZ3 3.96Å
118L92.6Very high91.8Very high15 Ų1571.8 Ų71.88%0.07938%0.38CS..Hα-helixtrans-59.9-33.9172.2-70.9-178.7000111.3R114 V120 F121 Q122 D145 L148R114-L118 HydrophobicContact CG-CD1 4.3Å; R114-L118 HydrophobicContact CG-CG 4.3Å; R114-L118 WeakPolarHBondContact O-CG 3.31Å; R114-L118 PolarHBondContact O-N 2.69Å; L118-V120 VanDerWaalsContact C-N 3.3Å; L118-V120 PolarHBondContact O-N 3.38Å; L118-F121 HydrophobicContact CD2-CD2 4.32Å; L118-F121 PolarHBondContact O-N 3.38Å; L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 3.09Å; L118-D145 HydrophobicContact CD2-CB 3.92Å; L118-L148 HydrophobicContact CD2-CD1 4.02Å; L118-L148 HydrophobicContact CD2-CG 4.47Å
119R93.6Very high92.2Very high161 Ų16169 Ų6961%0.60836%0.36SS*.Hα-helixtrans-68.7-25.7173.6-77.4-158.8-87.2116.2-8.8114.2A115 A116 W117 Q122 H123A115-R119 WeakPolarHBondContact O-CG 3.29Å; A115-R119 PolarHBondContact O-N 2.92Å; A115-R119 VanDerWaalsContact O-N 3.11Å; A116-R119 CarbonylContact O-C 3.57Å; A116-R119 WeakPolarHBondContact O-CA 3.33Å; A116-R119 WeakPolarHBondContact O-CB 3.47Å; A116-R119 PolarHBondContact O-N 3.14Å; W117-R119 PolarHBondContact O-N 3.2Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.94Å; R119-H123 PolarHBondContact O-CD2 2.93Å
120V94.7Very high92.5Very high71 Ų7165.7 Ų65.743%0.4334%0.344SS..Hα-helixtrans-77.2-49.4169.6177.20000110A116 W117 L118 Q122 H123A116-V120 PolarHBondContact O-N 2.89Å; W117-V120 WeakPolarHBondContact O-CA 3.43Å; W117-V120 WeakPolarHBondContact O-CB 3.46Å; W117-V120 PolarHBondContact O-N 3.11Å; L118-V120 VanDerWaalsContact C-N 3.3Å; L118-V120 PolarHBondContact O-N 3.38Å; V120-Q122 VanDerWaalsContact C-N 3.26Å; V120-Q122 PolarHBondContact O-N 3.23Å; V120-H123 WeakPolarHBondContact O-CB 3.26Å; V120-H123 PolarHBondContact O-N 3.49Å
121F95.6Very high92.9Very high2 Ų267.8 Ų67.81%0.00936%0.36CS..Hα-helixtrans-62.2-28.9-176.7-64.5-27.1000114W117 L118 H123 L124 L129 C132 W139 W142 L148W117-F121 HydrophobicContact CB-CE2 4.17Å; W117-F121 HydrophobicContact CB-CZ 4.46Å; W117-F121 HydrophobicContact CE3-CE1 4.17Å; W117-F121 HydrophobicContact CE3-CZ 4.12Å; W117-F121 WeakPolarHBondContact O-CD2 3.03Å; W117-F121 VanDerWaalsContact O-CG 3.29Å; W117-F121 WeakPolarHBondContact O-CG 3.44Å; W117-F121 PolarHBondContact O-N 3.1Å; L118-F121 HydrophobicContact CD2-CD2 4.32Å; L118-F121 PolarHBondContact O-N 3.38Å; F121-H123 PolarHBondContact O-N 2.78Å; F121-L124 HydrophobicContact CD1-CD1 3.86Å; F121-L124 WeakPolarHBondContact O-CB 3.49Å; F121-L124 PolarHBondContact O-N 2.84Å; F121-L129 HydrophobicContact CB-CD2 3.82Å; F121-L129 HydrophobicContact CG-CD2 4.32Å; F121-C132 HydrophobicContact CE1-CB 4.48Å; F121-W139 HydrophobicContact CE1-CD2 4.22Å; F121-W139 HydrophobicContact CE1-CE3 4.17Å; F121-W139 HydrophobicContact CE1-CZ3 4.31Å; F121-W139 AromaticContact CZ-CD2 3.79Å; F121-W139 HydrophobicContact CZ-CD2 3.79Å; F121-W139 AromaticContact CZ-CE2 3.99Å; F121-W139 HydrophobicContact CZ-CE3 4.16Å; F121-W139 AromaticContact CZ-CG 3.97Å; F121-W139 HydrophobicContact CZ-CG 3.97Å; F121-W142 HydrophobicContact CE2-CB 4.05Å; F121-W142 HydrophobicContact CE2-CE3 4.1Å; F121-L148 HydrophobicContact CB-CD1 3.98Å; F121-L148 HydrophobicContact CB-CD2 3.8Å; F121-L148 HydrophobicContact CD2-CD1 4.36Å
122Q94.8Very high93.1Very high118 Ų11863 Ų6355%0.55133%0.329SS*.THydrogen-bonded Turntrans-65.2-1417558.2-178.86.900113.9L118 R119 V120 L148L118-Q122 VanDerWaalsContact O-CG 3.31Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 3.09Å; R119-Q122 WeakPolarHBondContact O-CG 3.42Å; R119-Q122 PolarHBondContact O-NE2 2.94Å; V120-Q122 VanDerWaalsContact C-N 3.26Å; V120-Q122 PolarHBondContact O-N 3.23Å; Q122-L148 HydrophobicContact CB-CD2 4.2Å
123H95.6Very high93.3Very high157 Ų15760.1 Ų60.173%0.72731%0.313SS*.THydrogen-bonded Turntrans-88-7.3170.6-65.6-74.9000113.3R119 V120 F121R119-H123 PolarHBondContact O-CD2 2.93Å; V120-H123 WeakPolarHBondContact O-CB 3.26Å; V120-H123 PolarHBondContact O-N 3.49Å; F121-H123 PolarHBondContact O-N 2.78Å
124L95.1Very high93.4Very high54 Ų5465.6 Ų65.628%0.28333%0.325SS..SBendtrans-94.2143.7-177.8-58.2-178.9000111.6F121 E128 L129 C132F121-L124 HydrophobicContact CD1-CD1 3.86Å; F121-L124 WeakPolarHBondContact O-CB 3.49Å; F121-L124 PolarHBondContact O-N 2.84Å; L124-E128 VanDerWaalsContact CA-OE2 3.31Å; L124-E128 WeakPolarHBondContact CA-OE2 3.39Å; L124-E128 HydrophobicContact CB-CB 4Å; L124-E128 HydrophobicContact CD2-CB 4.39Å; L124-L129 HydrophobicContact CB-CD2 3.97Å; L124-L129 HydrophobicContact CB-CG 4.04Å; L124-L129 HydrophobicContact CD1-CD2 4.27Å; L124-C132 VanDerWaalsContact CD1-SG 3.51Å
125G92.8Very high93.6Very high26 Ų2668.3 Ų68.327%0.26835%0.346SS..  trans-74.4164.9173.500000113.2R127 E128 L129G125-R127 PolarHBondContact O-N 2.93Å; G125-R127 VanDerWaalsContact O-N 3.1Å; G125-E128 PolarHBondContact N-OE2 3.48Å; G125-E128 PolarHBondContact O-N 3.22Å; G125-E128 VanDerWaalsContact O-N 3.1Å; G125-L129 WeakPolarHBondContact O-CG 3.39Å; G125-L129 PolarHBondContact O-N 3.24Å
126P91.5Very high93.6Very high69 Ų6967.6 Ų67.645%0.44834%0.336SS..Hα-helixtrans-52-35.5178-31.337.6000114.9L5 C130 W149L5-P126 HydrophobicContact CD1-CB 4.14Å; P126-C130 PolarHBondContact O-N 3.08Å; P126-C130 PolarHBondContact O-SG 3.28Å; P126-W149 HydrophobicContact CB-CH2 4.23Å; P126-W149 HydrophobicContact CB-CZ3 3.73Å; P126-W149 WeakPolarHBondContact O-CH2 3.41Å
127R91.4Very high93.4Very high136 Ų13677 Ų7751%0.51337%0.368SS..Hα-helixtrans-69.7-47.8178.5-72.4-178.7170.9178.9-3.4111.6L5 G125 C130 V131L5-R127 HydrophobicContact CB-CG 3.91Å; L5-R127 HydrophobicContact CD1-CG 4.09Å; L5-R127 PolarHBondContact O-NE 3.14Å; L5-R127 VanDerWaalsContact O-NE 3.1Å; L5-R127 PolarHBondContact O-NH2 3.1Å; G125-R127 PolarHBondContact O-N 2.93Å; G125-R127 VanDerWaalsContact O-N 3.1Å; R127-C130 WeakPolarHBondContact O-CB 3.46Å; R127-C130 PolarHBondContact O-N 3.1Å; R127-C130 VanDerWaalsContact O-N 3.14Å; R127-V131 PolarHBondContact O-N 3.15Å; R127-V131 VanDerWaalsContact O-N 3.15Å
128E95.6Very high93.3Very high102 Ų10276 Ų7648%0.47737%0.366SS..Hα-helixtrans-64.7-41.7179.3-66.4164.3165.900110.9L124 G125 C130 V131 C132L124-E128 VanDerWaalsContact CA-OE2 3.31Å; L124-E128 WeakPolarHBondContact CA-OE2 3.39Å; L124-E128 HydrophobicContact CB-CB 4Å; L124-E128 HydrophobicContact CD2-CB 4.39Å; G125-E128 PolarHBondContact N-OE2 3.48Å; G125-E128 PolarHBondContact O-N 3.22Å; G125-E128 VanDerWaalsContact O-N 3.1Å; E128-C130 PolarHBondContact O-N 2.98Å; E128-V131 CarbonylContact O-C 3.56Å; E128-V131 WeakPolarHBondContact O-CA 3.37Å; E128-V131 WeakPolarHBondContact O-CB 3.31Å; E128-V131 PolarHBondContact O-N 3.34Å; E128-C132 PolarHBondContact O-N 2.91Å; E128-C132 PolarHBondContact O-SG 3.04Å; E128-C132 VanDerWaalsContact O-SG 3.39Å
129L94.8Very high93.2Very high2 Ų277.3 Ų77.31%0.0137%0.37CS..Hα-helixtrans-57.5-38.5172.7-69.8173.7000112.1F121 L124 G125 V131 C132 M133 L148 W149F121-L129 HydrophobicContact CB-CD2 3.82Å; F121-L129 HydrophobicContact CG-CD2 4.32Å; L124-L129 HydrophobicContact CB-CD2 3.97Å; L124-L129 HydrophobicContact CB-CG 4.04Å; L124-L129 HydrophobicContact CD1-CD2 4.27Å; G125-L129 WeakPolarHBondContact O-CG 3.39Å; G125-L129 PolarHBondContact O-N 3.24Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 2.92Å; L129-C132 WeakPolarHBondContact O-CB 3.22Å; L129-C132 PolarHBondContact O-N 2.84Å; L129-M133 VanDerWaalsContact O-CG 3.31Å; L129-M133 WeakPolarHBondContact O-CG 3.01Å; L129-M133 PolarHBondContact O-N 3.21Å; L129-L148 HydrophobicContact CD1-CB 4.01Å; L129-L148 HydrophobicContact CD2-CD1 4.24Å; L129-W149 HydrophobicContact CB-CH2 4.13Å; L129-W149 HydrophobicContact CB-CZ2 3.78Å; L129-W149 HydrophobicContact CD1-CH2 4.43Å; L129-W149 HydrophobicContact CD1-CZ2 3.97Å
130C91.8Very high93.1Very high21 Ų2171.3 Ų71.314%0.14235%0.353CS..Hα-helixtrans-66.9-30.9174.1-68.20000112.7P126 R127 E128P126-C130 PolarHBondContact O-N 3.08Å; P126-C130 PolarHBondContact O-SG 3.28Å; R127-C130 WeakPolarHBondContact O-CB 3.46Å; R127-C130 PolarHBondContact O-N 3.1Å; R127-C130 VanDerWaalsContact O-N 3.14Å; E128-C130 PolarHBondContact O-N 2.98Å
131V95.9Very high92.8Very high89 Ų8973.8 Ų73.854%0.53935%0.354SS..Hα-helixtrans-70-45.7171.91780000110.1R127 E128 L129 M133 R134R127-V131 PolarHBondContact O-N 3.15Å; R127-V131 VanDerWaalsContact O-N 3.15Å; E128-V131 CarbonylContact O-C 3.56Å; E128-V131 WeakPolarHBondContact O-CA 3.37Å; E128-V131 WeakPolarHBondContact O-CB 3.31Å; E128-V131 PolarHBondContact O-N 3.34Å; L129-V131 VanDerWaalsContact C-N 3.3Å; L129-V131 PolarHBondContact O-N 2.92Å; V131-M133 PolarHBondContact O-N 3.38Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.72Å
132C94.9Very high92.5Very high16 Ų1673.7 Ų73.711%0.10835%0.354CS..Hα-helixtrans-55.6-36.6174.7-67.30000112.3F121 L124 E128 L129 R134 V135 W139F121-C132 HydrophobicContact CE1-CB 4.48Å; L124-C132 VanDerWaalsContact CD1-SG 3.51Å; E128-C132 PolarHBondContact O-N 2.91Å; E128-C132 PolarHBondContact O-SG 3.04Å; E128-C132 VanDerWaalsContact O-SG 3.39Å; L129-C132 WeakPolarHBondContact O-CB 3.22Å; L129-C132 PolarHBondContact O-N 2.84Å; C132-R134 PolarHBondContact O-N 2.97Å; C132-R134 VanDerWaalsContact O-N 3.08Å; C132-V135 WeakPolarHBondContact O-CB 3.39Å; C132-V135 PolarHBondContact O-N 2.71Å; C132-V135 VanDerWaalsContact O-N 3.09Å; C132-W139 HydrophobicContact CB-CE3 3.74Å; C132-W139 HydrophobicContact CB-CZ3 4.15Å; C132-W139 WeakPolarHBondContact O-CB 3.27Å
133M92.6Very high92.4Very high13 Ų1368.1 Ų68.16%0.06433%0.328CS..THydrogen-bonded Turntrans-60.1-19.1175.6-73.9174.1-179.100114.3L129 V131 S140 C143 Y144 W149 R171L129-M133 VanDerWaalsContact O-CG 3.31Å; L129-M133 WeakPolarHBondContact O-CG 3.01Å; L129-M133 PolarHBondContact O-N 3.21Å; V131-M133 PolarHBondContact O-N 3.38Å; M133-S140 VanDerWaalsContact O-CB 3.27Å; M133-S140 WeakPolarHBondContact O-CB 3.36Å; M133-S140 PolarHBondContact O-OG 2.86Å; M133-C143 VanDerWaalsContact CE-C 3.43Å; M133-C143 HydrophobicContact CE-CB 3.47Å; M133-C143 VanDerWaalsContact CE-CB 3.47Å; M133-C143 WeakPolarHBondContact CE-O 3.36Å; M133-C143 HydrophobicContact CG-CB 3.41Å; M133-C143 VanDerWaalsContact CG-CB 3.41Å; M133-C143 HydrophobicContact SD-CB 4.34Å; M133-Y144 HydrophobicContact CE-CD1 4.2Å; M133-Y144 HydrophobicContact CE-CD2 4.49Å; M133-Y144 HydrophobicContact CE-CE1 4.25Å; M133-Y144 HydrophobicContact CE-CG 4.3Å; M133-Y144 HydrophobicContact SD-CE2 4.48Å; M133-W149 HydrophobicContact CE-CZ2 3.69Å; M133-R171 PolarHBondContact SD-NH2 3.22Å; M133-R171 VanDerWaalsContact SD-NH2 3.44Å
134R94.2Very high92.1Very high182 Ų18263.5 Ų63.569%0.68730%0.304SS*.THydrogen-bonded Turntrans-92.7-11.2-180-59.6171.463.9-178.7-3.6113.3C2 V131 C132C2-R134 HydrophobicContact CB-CG 4.2Å; V131-R134 WeakPolarHBondContact O-CB 3.38Å; V131-R134 PolarHBondContact O-N 2.72Å; C132-R134 PolarHBondContact O-N 2.97Å; C132-R134 VanDerWaalsContact O-N 3.08Å
135V93.4Very high91.9Very high90 Ų9061.9 Ų61.955%0.54530%0.296SS..THydrogen-bonded Turntrans-69.7-51.9-175.8174.90000111.1C132 W139C132-V135 WeakPolarHBondContact O-CB 3.39Å; C132-V135 PolarHBondContact O-N 2.71Å; C132-V135 VanDerWaalsContact O-N 3.09Å; V135-W139 HydrophobicContact CB-CD2 4.17Å; V135-W139 HydrophobicContact CB-CE3 3.62Å; V135-W139 HydrophobicContact CB-CZ3 4.1Å; V135-W139 HydrophobicContact CG1-CD2 4.16Å; V135-W139 HydrophobicContact CG1-CE3 3.88Å; V135-W139 HydrophobicContact CG1-CZ3 4.1Å; V135-W139 HydrophobicContact CG2-CE3 3.69Å; V135-W139 HydrophobicContact CG2-CZ3 3.78Å
136C89.6Confident91.8Very high47 Ų4766.2 Ų66.232%0.31831%0.307SS..  trans-155.7168.2176.9720000111.8T138 W139 S140C136-T138 VanDerWaalsContact C-N 3.28Å; C136-T138 PolarHBondContact O-N 3.44Å; C136-W139 PolarHBondContact O-N 3.1Å; C136-W139 VanDerWaalsContact SG-CD1 3.54Å; C136-W139 PolarHBondContact SG-N 2.97Å; C136-S140 WeakPolarHBondContact O-CB 3.35Å; C136-S140 PolarHBondContact O-N 2.64Å
137R88.4Confident91.7Very high213 Ų21372.2 Ų72.280%0.80432%0.321SS*.Hα-helixtrans-60-37.1179.6-67.1-178.6-179.2173.90.7112.4S140 R141R137-S140 WeakPolarHBondContact O-CB 3.39Å; R137-S140 PolarHBondContact O-N 3.05Å; R137-R141 WeakPolarHBondContact O-CG 3.23Å; R137-R141 PolarHBondContact O-N 3.06Å; R137-R141 VanDerWaalsContact O-N 3.09Å
138T89.9Confident91.8Very high12 Ų1266.6 Ų66.67%0.07430%0.301CS..Hα-helixtrans-70.1-47.8-179.5-54.20000111.7P99 L102 C136 S140 R141 W142P99-T138 HydrophobicContact CG-CG2 3.96Å; L102-T138 HydrophobicContact CD1-CG2 3.82Å; C136-T138 VanDerWaalsContact C-N 3.28Å; C136-T138 PolarHBondContact O-N 3.44Å; T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.18Å; T138-R141 WeakPolarHBondContact O-CB 3.48Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.11Å; T138-W142 HydrophobicContact CG2-CD2 3.82Å; T138-W142 HydrophobicContact CG2-CE3 4.17Å; T138-W142 HydrophobicContact CG2-CG 4.46Å; T138-W142 HydrophobicContact CG2-CH2 3.83Å; T138-W142 HydrophobicContact CG2-CZ2 3.41Å; T138-W142 VanDerWaalsContact CG2-CZ2 3.41Å; T138-W142 HydrophobicContact CG2-CZ3 4.16Å; T138-W142 PolarHBondContact O-N 3.04Å
139W91.5Very high91.8Very high42 Ų4262.1 Ų62.116%0.15928%0.28CS..Hα-helixtrans-61-39.8173.7-7825.7000111.5W117 F121 C132 V135 C136 R141 W142 C143W117-W139 AromaticContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CE3-CZ2 3.99Å; W117-W139 HydrophobicContact CH2-CH2 4.44Å; W117-W139 AromaticContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CH2-CZ2 3.58Å; W117-W139 HydrophobicContact CZ2-CZ2 4.34Å; W117-W139 HydrophobicContact CZ3-CH2 4.03Å; W117-W139 AromaticContact CZ3-CZ2 3.36Å; W117-W139 HydrophobicContact CZ3-CZ2 3.36Å; F121-W139 HydrophobicContact CE1-CD2 4.22Å; F121-W139 HydrophobicContact CE1-CE3 4.17Å; F121-W139 HydrophobicContact CE1-CZ3 4.31Å; F121-W139 AromaticContact CZ-CD2 3.79Å; F121-W139 HydrophobicContact CZ-CD2 3.79Å; F121-W139 AromaticContact CZ-CE2 3.99Å; F121-W139 HydrophobicContact CZ-CE3 4.16Å; F121-W139 AromaticContact CZ-CG 3.97Å; F121-W139 HydrophobicContact CZ-CG 3.97Å; C132-W139 HydrophobicContact CB-CE3 3.74Å; C132-W139 HydrophobicContact CB-CZ3 4.15Å; C132-W139 WeakPolarHBondContact O-CB 3.27Å; V135-W139 HydrophobicContact CB-CD2 4.17Å; V135-W139 HydrophobicContact CB-CE3 3.62Å; V135-W139 HydrophobicContact CB-CZ3 4.1Å; V135-W139 HydrophobicContact CG1-CD2 4.16Å; V135-W139 HydrophobicContact CG1-CE3 3.88Å; V135-W139 HydrophobicContact CG1-CZ3 4.1Å; V135-W139 HydrophobicContact CG2-CE3 3.69Å; V135-W139 HydrophobicContact CG2-CZ3 3.78Å; C136-W139 PolarHBondContact O-N 3.1Å; C136-W139 VanDerWaalsContact SG-CD1 3.54Å; C136-W139 PolarHBondContact SG-N 2.97Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 3.32Å; W139-W142 PolarHBondContact O-N 3.45Å; W139-C143 VanDerWaalsContact O-CB 3.22Å; W139-C143 WeakPolarHBondContact O-CB 3.22Å; W139-C143 PolarHBondContact O-N 3.31Å; W139-C143 PolarHBondContact O-SG 3.41Å
140S90.3Very high91.7Very high36 Ų3665.5 Ų65.525%0.25230%0.302SS..Hα-helixtrans-52.9-49.3172.4-158.40000111.6M133 C136 R137 T138 Y144M133-S140 VanDerWaalsContact O-CB 3.27Å; M133-S140 WeakPolarHBondContact O-CB 3.36Å; M133-S140 PolarHBondContact O-OG 2.86Å; C136-S140 WeakPolarHBondContact O-CB 3.35Å; C136-S140 PolarHBondContact O-N 2.64Å; R137-S140 WeakPolarHBondContact O-CB 3.39Å; R137-S140 PolarHBondContact O-N 3.05Å; T138-S140 VanDerWaalsContact C-N 3.28Å; T138-S140 PolarHBondContact O-N 3.18Å; S140-Y144 WeakPolarHBondContact O-CD2 3.37Å
141R88.9Confident91.9Very high123 Ų12372.2 Ų72.246%0.46432%0.324SS..Hα-helixtrans-64.6-46.8177.3-69.1172.5-173.1179.83.9112.6P97 E98 R137 T138 W139 Y144P97-R141 HydrophobicContact CB-CB 4.2Å; P97-R141 HydrophobicContact CG-CB 4.1Å; E98-R141 PolarHBondContact O-NH1 3.01Å; R137-R141 WeakPolarHBondContact O-CG 3.23Å; R137-R141 PolarHBondContact O-N 3.06Å; R137-R141 VanDerWaalsContact O-N 3.09Å; T138-R141 WeakPolarHBondContact O-CB 3.48Å; T138-R141 PolarHBondContact O-N 2.99Å; T138-R141 VanDerWaalsContact O-N 3.11Å; W139-R141 VanDerWaalsContact C-N 3.31Å; W139-R141 PolarHBondContact O-N 3.32Å; R141-Y144 WeakPolarHBondContact O-CB 3.34Å; R141-Y144 PolarHBondContact O-N 2.97Å
142W90.6Very high91.8Very high0 Ų069.1 Ų69.10%030%0.304CS..Hα-helixtrans-68.2-36.8-177.2-67.5-8.9000112.8P99 L102 R114 W117 F121 T138 W139 Y144 D145P99-W142 WeakPolarHBondContact O-CZ2 3.47Å; P99-W142 PolarHBondContact O-NE1 3.23Å; L102-W142 HydrophobicContact CB-CH2 3.84Å; L102-W142 HydrophobicContact CB-CZ3 4.21Å; R114-W142 HydrophobicContact CB-CH2 4.32Å; R114-W142 HydrophobicContact CB-CZ2 3.79Å; R114-W142 HydrophobicContact CG-CD2 4.08Å; R114-W142 HydrophobicContact CG-CG 4.25Å; R114-W142 HydrophobicContact CG-CZ2 4.17Å; W117-W142 HydrophobicContact CB-CE3 3.86Å; W117-W142 HydrophobicContact CB-CZ3 3.68Å; W117-W142 AromaticContact CD1-CH2 3.75Å; W117-W142 AromaticContact CD1-CZ3 3.31Å; W117-W142 HydrophobicContact CD2-CZ3 4.28Å; W117-W142 HydrophobicContact CG-CE3 4.11Å; W117-W142 HydrophobicContact CG-CH2 4.32Å; W117-W142 AromaticContact CG-CZ3 3.47Å; W117-W142 HydrophobicContact CG-CZ3 3.47Å; W117-W142 VanDerWaalsContact CG-CZ3 3.47Å; W117-W142 AromaticContact NE1-CZ3 3.96Å; F121-W142 HydrophobicContact CE2-CB 4.05Å; F121-W142 HydrophobicContact CE2-CE3 4.1Å; T138-W142 HydrophobicContact CG2-CD2 3.82Å; T138-W142 HydrophobicContact CG2-CE3 4.17Å; T138-W142 HydrophobicContact CG2-CG 4.46Å; T138-W142 HydrophobicContact CG2-CH2 3.83Å; T138-W142 HydrophobicContact CG2-CZ2 3.41Å; T138-W142 VanDerWaalsContact CG2-CZ2 3.41Å; T138-W142 HydrophobicContact CG2-CZ3 4.16Å; T138-W142 PolarHBondContact O-N 3.04Å; W139-W142 PolarHBondContact O-N 3.45Å; W142-Y144 PolarHBondContact O-N 3.03Å; W142-Y144 VanDerWaalsContact O-N 3.14Å; W142-D145 VanDerWaalsContact O-CB 3.26Å; W142-D145 WeakPolarHBondContact O-CB 3.31Å; W142-D145 PolarHBondContact O-N 3.19Å
143C92Very high91.8Very high0 Ų072.6 Ų72.60%032%0.322CS..THydrogen-bonded Turntrans-67-11.1176.2-67.30000112.6M133 W139 D145 W149M133-C143 VanDerWaalsContact CE-C 3.43Å; M133-C143 HydrophobicContact CE-CB 3.47Å; M133-C143 VanDerWaalsContact CE-CB 3.47Å; M133-C143 WeakPolarHBondContact CE-O 3.36Å; M133-C143 HydrophobicContact CG-CB 3.41Å; M133-C143 VanDerWaalsContact CG-CB 3.41Å; M133-C143 HydrophobicContact SD-CB 4.34Å; W139-C143 VanDerWaalsContact O-CB 3.22Å; W139-C143 WeakPolarHBondContact O-CB 3.22Å; W139-C143 PolarHBondContact O-N 3.31Å; W139-C143 PolarHBondContact O-SG 3.41Å; C143-D145 VanDerWaalsContact C-N 3.3Å; C143-W149 PolarHBondContact O-NE1 3.24Å
144Y90.1Very high91.9Very high61 Ų6172.4 Ų72.424%0.23932%0.321CS..THydrogen-bonded Turntrans-82.4-1169.3-79.1-70000113.8M133 S140 R141 W142 K146 R170 R171M133-Y144 HydrophobicContact CE-CD1 4.2Å; M133-Y144 HydrophobicContact CE-CD2 4.49Å; M133-Y144 HydrophobicContact CE-CE1 4.25Å; M133-Y144 HydrophobicContact CE-CG 4.3Å; M133-Y144 HydrophobicContact SD-CE2 4.48Å; S140-Y144 WeakPolarHBondContact O-CD2 3.37Å; R141-Y144 WeakPolarHBondContact O-CB 3.34Å; R141-Y144 PolarHBondContact O-N 2.97Å; W142-Y144 PolarHBondContact O-N 3.03Å; W142-Y144 VanDerWaalsContact O-N 3.14Å; Y144-K146 PolarHBondContact O-N 2.86Å; Y144-R170 HydrophobicContact CD1-CB 3.84Å; Y144-R170 HydrophobicContact CE1-CB 3.97Å; Y144-R171 HydrophobicContact CD1-CG 3.84Å; Y144-R171 HydrophobicContact CE1-CG 4.34Å
145D90.1Very high92Very high19 Ų1964.7 Ų64.710%0.10230%0.295CS..  trans-58.4124.4177.9-168.8-55.8000110.8R114 L118 W142 C143 R147 L148R114-D145 IonicContact CZ-OD2 3.86Å; R114-D145 IonicContact NH1-OD2 3.04Å; R114-D145 IonicContact NH2-OD2 2.68Å; R114-D145 PolarHBondContact NH2-OD2 2.98Å; L118-D145 HydrophobicContact CD2-CB 3.92Å; W142-D145 VanDerWaalsContact O-CB 3.26Å; W142-D145 WeakPolarHBondContact O-CB 3.31Å; W142-D145 PolarHBondContact O-N 3.19Å; C143-D145 VanDerWaalsContact C-N 3.3Å; D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 VanDerWaalsContact OD1-CB 3.22Å; D145-R147 WeakPolarHBondContact OD1-CB 3.11Å; D145-R147 VanDerWaalsContact OD1-CG 3.23Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 PolarHBondContact OD1-N 3.29Å; D145-L148 HydrophobicContact CB-CD1 4.23Å; D145-L148 HydrophobicContact CB-CG 4.33Å; D145-L148 WeakPolarHBondContact O-CB 3.48Å; D145-L148 PolarHBondContact O-N 3.46Å
146K89.8Confident92Very high117 Ų11769.2 Ų69.251%0.50930%0.302SS..G310 helixtrans-54.8-25.4-178.665.9179.9-179.2179.30114.4Y144 L148 W149 R171 Q172Y144-K146 PolarHBondContact O-N 2.86Å; K146-L148 PolarHBondContact O-N 3.31Å; K146-W149 CarbonylContact O-C 3.56Å; K146-W149 PolarHBondContact O-N 3.3Å; K146-R171 VanDerWaalsContact CA-O 3.31Å; K146-R171 WeakPolarHBondContact CA-O 3.39Å; K146-R171 WeakPolarHBondContact CB-O 3.45Å; K146-Q172 HydrophobicContact CB-CB 4.31Å
147R90.7Very high92Very high195 Ų19570 Ų7074%0.73630%0.298SS*.G310 helixtrans-65.5-27.8178.1-63.7172.5-176.5-175.22.2111.9D145 W149D145-R147 PolarHBondContact O-N 3.36Å; D145-R147 VanDerWaalsContact OD1-CB 3.22Å; D145-R147 WeakPolarHBondContact OD1-CB 3.11Å; D145-R147 VanDerWaalsContact OD1-CG 3.23Å; D145-R147 WeakPolarHBondContact OD1-CG 3.31Å; D145-R147 PolarHBondContact OD1-N 3.29Å; R147-W149 VanDerWaalsContact C-N 3.31Å
148L93.8Very high91.8Very high19 Ų1969.9 Ų69.910%0.09930%0.304CS..G310 helixtrans-81-13.2178.7-56.5174.6000112.6L118 F121 Q122 L129 D145 K146 P150L118-L148 HydrophobicContact CD2-CD1 4.02Å; L118-L148 HydrophobicContact CD2-CG 4.47Å; F121-L148 HydrophobicContact CB-CD1 3.98Å; F121-L148 HydrophobicContact CB-CD2 3.8Å; F121-L148 HydrophobicContact CD2-CD1 4.36Å; Q122-L148 HydrophobicContact CB-CD2 4.2Å; L129-L148 HydrophobicContact CD1-CB 4.01Å; L129-L148 HydrophobicContact CD2-CD1 4.24Å; D145-L148 HydrophobicContact CB-CD1 4.23Å; D145-L148 HydrophobicContact CB-CG 4.33Å; D145-L148 WeakPolarHBondContact O-CB 3.48Å; D145-L148 PolarHBondContact O-N 3.46Å; K146-L148 PolarHBondContact O-N 3.31Å; L148-P150 WeakPolarHBondContact O-CD 3.1Å
149W93.9Very high91.7Very high8 Ų873.2 Ų73.23%0.0333%0.327CS..  trans-124.555.8-175.6-55.891.4000112P126 L129 M133 C143 K146 R147 R151 M152 R171 P173P126-W149 HydrophobicContact CB-CH2 4.23Å; P126-W149 HydrophobicContact CB-CZ3 3.73Å; P126-W149 WeakPolarHBondContact O-CH2 3.41Å; L129-W149 HydrophobicContact CB-CH2 4.13Å; L129-W149 HydrophobicContact CB-CZ2 3.78Å; L129-W149 HydrophobicContact CD1-CH2 4.43Å; L129-W149 HydrophobicContact CD1-CZ2 3.97Å; M133-W149 HydrophobicContact CE-CZ2 3.69Å; C143-W149 PolarHBondContact O-NE1 3.24Å; K146-W149 CarbonylContact O-C 3.56Å; K146-W149 PolarHBondContact O-N 3.3Å; R147-W149 VanDerWaalsContact C-N 3.31Å; W149-R151 PolarHBondContact O-N 2.82Å; W149-M152 HydrophobicContact CB-CG 4.38Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-CG 4.11Å; W149-M152 HydrophobicContact CE3-SD 4.39Å; W149-R171 HydrophobicContact CB-CB 3.97Å; W149-R171 HydrophobicContact CD2-CB 4.41Å; W149-R171 VanDerWaalsContact CD2-CD 3.48Å; W149-R171 HydrophobicContact CD2-CG 4.06Å; W149-R171 HydrophobicContact CG-CB 3.83Å; W149-R171 HydrophobicContact CG-CG 3.88Å; W149-P173 VanDerWaalsContact O-CA 3.31Å; W149-P173 WeakPolarHBondContact O-CA 3.5Å; W149-P173 WeakPolarHBondContact O-CB 3.31Å
150P93.4Very high91.8Very high73 Ų7371.7 Ų71.747%0.47432%0.322SS..SBendtrans-61.6-36.4-179.726.6-34000111.7L148 R174 A175L148-P150 WeakPolarHBondContact O-CD 3.1Å; P150-R174 WeakPolarHBondContact O-CB 3.49Å; P150-R174 PolarHBondContact O-N 3.44Å; P150-A175 PolarHBondContact O-N 3.34Å
151R95.5Very high91.8Very high162 Ų16272.8 Ų72.861%0.61133%0.328SS*.EExtended strand (participates in β ladder)trans-128.7139.7175.6-55.3-156.4155.7155.1-2.1110.3W149 A175 E200W149-R151 PolarHBondContact O-N 2.82Å; R151-A175 CarbonylContact C-O 3.46Å; R151-A175 WeakPolarHBondContact CA-O 2.97Å; R151-A175 HydrophobicContact CB-CB 3.98Å; R151-A175 HydrophobicContact CG-CB 3.58Å; R151-E200 IonicContact CZ-OE2 2.69Å; R151-E200 VanDerWaalsContact CZ-OE2 3.25Å; R151-E200 IonicContact NE-OE2 2.72Å; R151-E200 PolarHBondContact NE-OE2 3.15Å; R151-E200 IonicContact NH2-OE1 2.89Å; R151-E200 PolarHBondContact NH2-OE1 2.98Å; R151-E200 IonicContact NH2-OE2 3.94Å; R151-E200 PolarHBondContact NH2-OE2 2.69Å
152M95.3Very high92Very high23 Ų2371.3 Ų71.311%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-126.1123.2172.1-74.4-172.474.700109.9W149 V168 R171 P173 A175 L176 D177W149-M152 HydrophobicContact CB-CG 4.38Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-CG 4.11Å; W149-M152 HydrophobicContact CE3-SD 4.39Å; M152-V168 HydrophobicContact CE-CB 4.49Å; M152-V168 HydrophobicContact CE-CG2 3.83Å; M152-V168 HydrophobicContact SD-CB 4.46Å; M152-V168 HydrophobicContact SD-CG1 4.38Å; M152-V168 HydrophobicContact SD-CG2 4.3Å; M152-R171 HydrophobicContact SD-CB 3.82Å; M152-R171 HydrophobicContact SD-CG 4.44Å; M152-P173 HydrophobicContact CB-CB 4.19Å; M152-P173 HydrophobicContact CB-CG 4.28Å; M152-P173 HydrophobicContact CG-CB 3.88Å; M152-P173 HydrophobicContact CG-CG 4.14Å; M152-P173 HydrophobicContact SD-CB 4.17Å; M152-P173 HydrophobicContact SD-CG 3.91Å; M152-A175 PolarHBondContact N-O 2.7Å; M152-L176 HydrophobicContact CB-CD1 4.11Å; M152-D177 PolarHBondContact O-N 2.78Å
153D94.9Very high92Very high89 Ų8974.5 Ų74.548%0.47636%0.355SS..EExtended strand (participates in β ladder)trans-106.1117.9178.5179.88.8000110.2S155D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 WeakPolarHBondContact OD1-CB 3.31Å; D153-S155 PolarHBondContact OD1-N 3.02Å; D153-S155 PolarHBondContact OD1-OG 2.8Å; D153-S155 PolarHBondContact OD2-OG 3.24Å
154L94.9Very high92Very high10 Ų1075.1 Ų75.15%0.05236%0.358CS..  trans-118.617.6173.1-60177.5000111.5R157 L160 M164 V168 L176 D177 L178 T181L154-R157 HydrophobicContact CB-CG 4.43Å; L154-R157 VanDerWaalsContact O-CB 3.3Å; L154-R157 WeakPolarHBondContact O-CB 3.39Å; L154-R157 WeakPolarHBondContact O-CG 3.44Å; L154-R157 PolarHBondContact O-N 2.78Å; L154-L160 HydrophobicContact CB-CD2 4.41Å; L154-L160 HydrophobicContact CD1-CD2 4.35Å; L154-M164 HydrophobicContact CD2-CE 4.08Å; L154-V168 HydrophobicContact CD1-CG2 3.69Å; L154-L176 HydrophobicContact CD1-CD1 4.4Å; L154-D177 WeakPolarHBondContact CA-O 3.1Å; L154-D177 PolarHBondContact N-O 3.41Å; L154-L178 HydrophobicContact CB-CD2 4.06Å; L154-L178 HydrophobicContact CD1-CD2 3.83Å; L154-L178 HydrophobicContact CG-CD2 4.47Å; L154-T181 WeakPolarHBondContact O-CG2 3.31Å
155S95.1Very high92.2Very high20 Ų2072.7 Ų72.714%0.1435%0.349CS..THydrogen-bonded Turntrans-56.4146.3-17864.60000112.5D153 R157 S179D153-S155 WeakPolarHBondContact OD1-CA 3.31Å; D153-S155 WeakPolarHBondContact OD1-CB 3.31Å; D153-S155 PolarHBondContact OD1-N 3.02Å; D153-S155 PolarHBondContact OD1-OG 2.8Å; D153-S155 PolarHBondContact OD2-OG 3.24Å; S155-R157 PolarHBondContact O-N 2.97Å; S155-S179 CarbonylContact C-O 3.36Å; S155-S179 WeakPolarHBondContact CA-O 3.45Å; S155-S179 WeakPolarHBondContact CB-O 3.32Å; S155-S179 WeakPolarHBondContact CB-OG 3.34Å
156R92.9Very high92.3Very high185 Ų18573 Ų7370%0.69835%0.353SS*.THydrogen-bonded Turntrans56.917.3177.9-52.8-178.3-164.4-151.32.6114.8K158 S179 W180R156-K158 PolarHBondContact O-N 3.22Å; R156-S179 PolarHBondContact N-O 3.34Å; R156-W180 WeakPolarHBondContact CA-O 3.3Å; R156-W180 HydrophobicContact CG-CB 3.87Å; R156-W180 HydrophobicContact CG-CG 4.39Å
157R89.9Confident92.4Very high62 Ų6267.7 Ų67.723%0.23433%0.331CS..  trans-74115.2172.8-72.2-76.9-179.7-164.1-11.4109.3L4 L154 S155 S159 L160 M164 T181L4-R157 PolarHBondContact O-NH2 3.47Å; L154-R157 HydrophobicContact CB-CG 4.43Å; L154-R157 VanDerWaalsContact O-CB 3.3Å; L154-R157 WeakPolarHBondContact O-CB 3.39Å; L154-R157 WeakPolarHBondContact O-CG 3.44Å; L154-R157 PolarHBondContact O-N 2.78Å; S155-R157 PolarHBondContact O-N 2.97Å; R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.85Å; R157-L160 HydrophobicContact CB-CD2 4.08Å; R157-M164 HydrophobicContact CG-CE 4.29Å; R157-T181 HydrophobicContact CB-CG2 4.28Å
158K84Confident92.5Very high212 Ų21258.4 Ų58.492%0.92230%0.296SS*.SBendtrans-58.1-35.1178.6-66.5-173.4178.5-177.80113.4R156R156-K158 PolarHBondContact O-N 3.22Å
159S88.9Confident92.5Very high81 Ų8157.5 Ų57.557%0.56629%0.292SS*.  trans-136.2127.6-179.8-178.10000111.4R157 M164R157-S159 VanDerWaalsContact C-N 3.27Å; R157-S159 PolarHBondContact O-N 2.85Å; S159-M164 VanDerWaalsContact O-SD 3.42Å
160L92.3Very high92.4Very high10 Ų1062.3 Ų62.35%0.05231%0.31CS..  trans-100.295.1174.6-65.7179.2000109.5L154 R157 M164 L165 V183 Q187L154-L160 HydrophobicContact CB-CD2 4.41Å; L154-L160 HydrophobicContact CD1-CD2 4.35Å; R157-L160 HydrophobicContact CB-CD2 4.08Å; L160-M164 HydrophobicContact CD2-CE 4.26Å; L160-L165 HydrophobicContact CB-CD2 4.38Å; L160-V183 HydrophobicContact CD1-CB 3.56Å; L160-V183 HydrophobicContact CD1-CG2 3.88Å; L160-Q187 PolarHBondContact O-NE2 2.77Å; L160-Q187 VanDerWaalsContact O-NE2 3.1Å
161T92Very high92.3Very high59 Ų5959.9 Ų59.936%0.36229%0.291SS..  trans-78.3150-178.170.90000111.5P163 M164 L165T161-P163 VanDerWaalsContact C-CD 3.42Å; T161-P163 VanDerWaalsContact C-N 3.29Å; T161-M164 PolarHBondContact N-SD 2.85Å; T161-M164 VanDerWaalsContact N-SD 3.41Å; T161-M164 WeakPolarHBondContact O-CA 3.33Å; T161-M164 WeakPolarHBondContact O-CB 3.26Å; T161-M164 WeakPolarHBondContact O-CG 3.38Å; T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CG 3.37Å; T161-L165 PolarHBondContact O-N 2.96Å
162P92.3Very high92.2Very high92 Ų9254 Ų5460%0.59727%0.27SS*.Hα-helixtrans-53.2-36.1178.8-24.632.6000114.9M164 L165 S166P162-M164 VanDerWaalsContact C-N 3.32Å; P162-M164 PolarHBondContact O-N 2.88Å; P162-L165 PolarHBondContact O-N 2.97Å; P162-S166 VanDerWaalsContact O-CB 3.31Å; P162-S166 WeakPolarHBondContact O-CB 3.25Å; P162-S166 PolarHBondContact O-N 3.07Å; P162-S166 PolarHBondContact O-OG 3.11Å
163P91.1Very high92.2Very high67 Ų6752.9 Ų52.944%0.43527%0.265SS..Hα-helixtrans-61.4-34.5171.7-26.136000114T161 G167T161-P163 VanDerWaalsContact C-CD 3.42Å; T161-P163 VanDerWaalsContact C-N 3.29Å; P163-G167 PolarHBondContact O-N 3.18Å
164M91.3Very high92.1Very high14 Ų1456.4 Ų56.47%0.06927%0.272CS..Hα-helixtrans-64.8-50.1175.9-43.4-178.453.600110.2L4 L154 R157 S159 L160 T161 P162 S166 G167 V168L4-M164 HydrophobicContact CD1-CG 4.49Å; L4-M164 HydrophobicContact CD2-CB 3.81Å; L4-M164 HydrophobicContact CD2-CE 3.4Å; L4-M164 VanDerWaalsContact CD2-CE 3.4Å; L4-M164 HydrophobicContact CD2-CG 3.29Å; L4-M164 HydrophobicContact CD2-SD 3.79Å; L4-M164 HydrophobicContact CG-CG 4.27Å; L154-M164 HydrophobicContact CD2-CE 4.08Å; R157-M164 HydrophobicContact CG-CE 4.29Å; S159-M164 VanDerWaalsContact O-SD 3.42Å; L160-M164 HydrophobicContact CD2-CE 4.26Å; T161-M164 PolarHBondContact N-SD 2.85Å; T161-M164 VanDerWaalsContact N-SD 3.41Å; T161-M164 WeakPolarHBondContact O-CA 3.33Å; T161-M164 WeakPolarHBondContact O-CB 3.26Å; T161-M164 WeakPolarHBondContact O-CG 3.38Å; T161-M164 PolarHBondContact O-N 2.9Å; T161-M164 WeakPolarHBondContact OG1-CG 3.37Å; P162-M164 VanDerWaalsContact C-N 3.32Å; P162-M164 PolarHBondContact O-N 2.88Å; M164-S166 VanDerWaalsContact C-N 3.31Å; M164-S166 PolarHBondContact O-N 3.01Å; M164-G167 CarbonylContact O-C 3.48Å; M164-G167 WeakPolarHBondContact O-CA 3.16Å; M164-G167 PolarHBondContact O-N 3.48Å; M164-V168 WeakPolarHBondContact O-CG2 3.35Å; M164-V168 PolarHBondContact O-N 2.86Å
165L94Very high92.2Very high9 Ų956.2 Ų56.25%0.04727%0.272CS..Hα-helixtrans-61.5-42.2179.8-57.1179.2000110.9L160 T161 P162 G167 V168 V169 Q187 W190 L191L160-L165 HydrophobicContact CB-CD2 4.38Å; T161-L165 PolarHBondContact O-N 2.96Å; P162-L165 PolarHBondContact O-N 2.97Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 2.87Å; L165-V168 WeakPolarHBondContact O-CB 3.45Å; L165-V168 PolarHBondContact O-N 2.93Å; L165-V169 PolarHBondContact O-N 3.18Å; L165-Q187 HydrophobicContact CD1-CB 3.9Å; L165-Q187 HydrophobicContact CD1-CG 3.65Å; L165-W190 HydrophobicContact CB-CE3 4.23Å; L165-W190 HydrophobicContact CB-CZ3 3.74Å; L165-L191 HydrophobicContact CB-CD2 4.28Å; L165-L191 HydrophobicContact CD2-CD1 3.93Å; L165-L191 HydrophobicContact CD2-CD2 4.2Å; L165-L191 HydrophobicContact CD2-CG 4.27Å
166S92.1Very high92.3Very high26 Ų2655.4 Ų55.418%0.18227%0.266CS..Hα-helixtrans-59.1-40.3172.3-59.20000111.7P162 M164 V169 R170P162-S166 VanDerWaalsContact O-CB 3.31Å; P162-S166 WeakPolarHBondContact O-CB 3.25Å; P162-S166 PolarHBondContact O-N 3.07Å; P162-S166 PolarHBondContact O-OG 3.11Å; M164-S166 VanDerWaalsContact C-N 3.31Å; M164-S166 PolarHBondContact O-N 3.01Å; S166-V169 PolarHBondContact O-N 2.9Å; S166-R170 VanDerWaalsContact O-CG 3.31Å; S166-R170 WeakPolarHBondContact O-CG 3.28Å; S166-R170 PolarHBondContact O-N 3.4Å
167G91.8Very high92.5Very high6 Ų648.6 Ų48.66%0.06224%0.243CC..Hα-helixtrans-63.4-40.7174.400000113.5P163 M164 L165 R170 R171P163-G167 PolarHBondContact O-N 3.18Å; M164-G167 CarbonylContact O-C 3.48Å; M164-G167 WeakPolarHBondContact O-CA 3.16Å; M164-G167 PolarHBondContact O-N 3.48Å; L165-G167 VanDerWaalsContact C-N 3.27Å; L165-G167 PolarHBondContact O-N 2.87Å; G167-R170 PolarHBondContact O-N 3.26Å; G167-R171 WeakPolarHBondContact O-CD 3.47Å; G167-R171 VanDerWaalsContact O-CG 3.31Å; G167-R171 WeakPolarHBondContact O-CG 3.35Å; G167-R171 PolarHBondContact O-N 2.99Å; G167-R171 PolarHBondContact O-NH1 2.75Å
168V94.1Very high92.9Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-62.7-49.3175.5175.60000110.1M152 L154 M164 L165 R170 R171 Q172 P173 L176 L191 L195M152-V168 HydrophobicContact CE-CB 4.49Å; M152-V168 HydrophobicContact CE-CG2 3.83Å; M152-V168 HydrophobicContact SD-CB 4.46Å; M152-V168 HydrophobicContact SD-CG1 4.38Å; M152-V168 HydrophobicContact SD-CG2 4.3Å; L154-V168 HydrophobicContact CD1-CG2 3.69Å; M164-V168 WeakPolarHBondContact O-CG2 3.35Å; M164-V168 PolarHBondContact O-N 2.86Å; L165-V168 WeakPolarHBondContact O-CB 3.45Å; L165-V168 PolarHBondContact O-N 2.93Å; V168-R170 VanDerWaalsContact C-N 3.26Å; V168-R170 PolarHBondContact O-N 3.39Å; V168-R171 PolarHBondContact O-N 3.41Å; V168-Q172 PolarHBondContact O-N 2.88Å; V168-P173 HydrophobicContact CG1-CG 4.01Å; V168-P173 WeakPolarHBondContact O-CD 3.09Å; V168-L176 HydrophobicContact CG1-CD1 3.9Å; V168-L176 HydrophobicContact CG1-CD2 4.17Å; V168-L176 HydrophobicContact CG2-CD1 4.46Å; V168-L191 HydrophobicContact CB-CD2 4.27Å; V168-L191 HydrophobicContact CG1-CD2 4.16Å; V168-L195 HydrophobicContact CG1-CD1 4.13Å; V168-L195 HydrophobicContact CG1-CD2 4.36Å
169V93.2Very high93.5Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-60.6-37.2178.5170.70000111.7V90 L165 S166 R171 Q172 W190 L191 R194V90-V169 HydrophobicContact CG1-CB 4.33Å; V90-V169 HydrophobicContact CG1-CG1 4.01Å; L165-V169 PolarHBondContact O-N 3.18Å; S166-V169 PolarHBondContact O-N 2.9Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.88Å; V169-Q172 WeakPolarHBondContact O-CG 3.47Å; V169-Q172 PolarHBondContact O-NE2 2.7Å; V169-W190 HydrophobicContact CB-CH2 4.28Å; V169-W190 HydrophobicContact CB-CZ3 4.35Å; V169-W190 HydrophobicContact CG2-CE3 4.18Å; V169-W190 HydrophobicContact CG2-CH2 3.72Å; V169-W190 HydrophobicContact CG2-CZ3 3.37Å; V169-L191 HydrophobicContact CG2-CD2 4.02Å; V169-R194 HydrophobicContact CB-CB 4.49Å; V169-R194 HydrophobicContact CG1-CB 3.82Å; V169-R194 HydrophobicContact CG1-CG 4.5Å; V169-R194 HydrophobicContact CG2-CB 3.79Å
170R90.9Very high93.8Very high109 Ų10938.4 Ų38.441%0.41119%0.188SC..Hα-helixtrans-66-33.8176.2-74173.5-173.3-96.53112.4V90 P93 Y144 S166 G167 V168V90-R170 HydrophobicContact CG1-CG 4.04Å; P93-R170 WeakPolarHBondContact CD-O 3.32Å; P93-R170 WeakPolarHBondContact CG-O 3.41Å; Y144-R170 HydrophobicContact CD1-CB 3.84Å; Y144-R170 HydrophobicContact CE1-CB 3.97Å; S166-R170 VanDerWaalsContact O-CG 3.31Å; S166-R170 WeakPolarHBondContact O-CG 3.28Å; S166-R170 PolarHBondContact O-N 3.4Å; G167-R170 PolarHBondContact O-N 3.26Å; V168-R170 VanDerWaalsContact C-N 3.26Å; V168-R170 PolarHBondContact O-N 3.39Å
171R92.3Very high93.9Very high21 Ų2138.3 Ų38.38%0.07919%0.188CC..Hα-helixtrans-85.6-17.2-176.5-68.1167.4179.193.9-2.4113.7M133 Y144 K146 W149 M152 G167 V168 V169M133-R171 PolarHBondContact SD-NH2 3.22Å; M133-R171 VanDerWaalsContact SD-NH2 3.44Å; Y144-R171 HydrophobicContact CD1-CG 3.84Å; Y144-R171 HydrophobicContact CE1-CG 4.34Å; K146-R171 VanDerWaalsContact CA-O 3.31Å; K146-R171 WeakPolarHBondContact CA-O 3.39Å; K146-R171 WeakPolarHBondContact CB-O 3.45Å; W149-R171 HydrophobicContact CB-CB 3.97Å; W149-R171 HydrophobicContact CD2-CB 4.41Å; W149-R171 VanDerWaalsContact CD2-CD 3.48Å; W149-R171 HydrophobicContact CD2-CG 4.06Å; W149-R171 HydrophobicContact CG-CB 3.83Å; W149-R171 HydrophobicContact CG-CG 3.88Å; M152-R171 HydrophobicContact SD-CB 3.82Å; M152-R171 HydrophobicContact SD-CG 4.44Å; G167-R171 WeakPolarHBondContact O-CD 3.47Å; G167-R171 VanDerWaalsContact O-CG 3.31Å; G167-R171 WeakPolarHBondContact O-CG 3.35Å; G167-R171 PolarHBondContact O-N 2.99Å; G167-R171 PolarHBondContact O-NH1 2.75Å; V168-R171 PolarHBondContact O-N 3.41Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 2.88Å
172Q92.7Very high93.8Very high38 Ų3838.7 Ų38.718%0.17820%0.204CC..  trans47.457.7177.2-67.1-70.4-53.100113.2P92 K146 V168 V169 R194P92-Q172 HydrophobicContact CB-CG 4.46Å; K146-Q172 HydrophobicContact CB-CB 4.31Å; V168-Q172 PolarHBondContact O-N 2.88Å; V169-Q172 WeakPolarHBondContact O-CG 3.47Å; V169-Q172 PolarHBondContact O-NE2 2.7Å; Q172-R194 PolarHBondContact NE2-O 2.84Å; Q172-R194 PolarHBondContact OE1-O 2.98Å
173P95Very high94Very high1 Ų134.4 Ų34.41%0.00618%0.176CC..  trans-66.3154-17830.4-37.7000112.5W149 M152 V168W149-P173 VanDerWaalsContact O-CA 3.31Å; W149-P173 WeakPolarHBondContact O-CA 3.5Å; W149-P173 WeakPolarHBondContact O-CB 3.31Å; M152-P173 HydrophobicContact CB-CB 4.19Å; M152-P173 HydrophobicContact CB-CG 4.28Å; M152-P173 HydrophobicContact CG-CB 3.88Å; M152-P173 HydrophobicContact CG-CG 4.14Å; M152-P173 HydrophobicContact SD-CB 4.17Å; M152-P173 HydrophobicContact SD-CG 3.91Å; V168-P173 HydrophobicContact CG1-CG 4.01Å; V168-P173 WeakPolarHBondContact O-CD 3.09Å
174R94.6Very high94.1Very high162 Ų16233.5 Ų33.561%0.61117%0.171SC*.SBendtrans-83.6-31.5171.5-67.4-178.7174.4178.1-2.8111.8P150 Q199 E200P150-R174 WeakPolarHBondContact O-CB 3.49Å; P150-R174 PolarHBondContact O-N 3.44Å; R174-Q199 PolarHBondContact O-N 2.96Å; R174-E200 PolarHBondContact O-N 2.99Å
175A96.9Very high94.2Very high7 Ų736.3 Ų36.36%0.05818%0.183CC..EExtended strand (participates in β ladder)trans-121.2132.8173.500000111.3P150 R151 M152 E200P150-A175 PolarHBondContact O-N 3.34Å; R151-A175 CarbonylContact C-O 3.46Å; R151-A175 WeakPolarHBondContact CA-O 2.97Å; R151-A175 HydrophobicContact CB-CB 3.98Å; R151-A175 HydrophobicContact CG-CB 3.58Å; M152-A175 PolarHBondContact N-O 2.7Å; A175-E200 CarbonylContact C-O 3.52Å; A175-E200 WeakPolarHBondContact CA-O 3.41Å; A175-E200 HydrophobicContact CB-CB 3.68Å; A175-E200 HydrophobicContact CB-CG 4.16Å; A175-E200 WeakPolarHBondContact CB-OE2 3.31Å
176L96.9Very high94.1Very high3 Ų344.4 Ų44.42%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-127.9122176.6-177.964.1000110M152 L154 V168 L178 L191 L195 L198 E200 L201 V202M152-L176 HydrophobicContact CB-CD1 4.11Å; L154-L176 HydrophobicContact CD1-CD1 4.4Å; V168-L176 HydrophobicContact CG1-CD1 3.9Å; V168-L176 HydrophobicContact CG1-CD2 4.17Å; V168-L176 HydrophobicContact CG2-CD1 4.46Å; L176-L178 HydrophobicContact CD1-CD2 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4.03Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.13Å; L176-L178 HydrophobicContact CG-CD1 4.43Å; L176-L178 HydrophobicContact CG-CD2 4.18Å; L176-L178 HydrophobicContact CG-CG 4Å; L176-L191 HydrophobicContact CD2-CD1 4.14Å; L176-L195 HydrophobicContact CD2-CD1 3.88Å; L176-L198 HydrophobicContact CB-CD1 3.68Å; L176-E200 PolarHBondContact N-O 2.73Å; L176-L201 HydrophobicContact CB-CD1 4.48Å; L176-V202 PolarHBondContact O-N 2.92Å
177D97.3Very high94.3Very high41 Ų4145.4 Ų45.422%0.21922%0.219CC..EExtended strand (participates in β ladder)trans-105.9118.5173.6-168.3-21.7000110.3M152 L154 S179 V202M152-D177 PolarHBondContact O-N 2.78Å; L154-D177 WeakPolarHBondContact CA-O 3.1Å; L154-D177 PolarHBondContact N-O 3.41Å; D177-S179 WeakPolarHBondContact OD1-CB 3.5Å; D177-S179 PolarHBondContact OD1-N 2.89Å; D177-S179 PolarHBondContact OD1-OG 3.44Å; D177-V202 HydrophobicContact CB-CB 4.16Å
178L96.6Very high94.4Very high0 Ų045.1 Ų45.10%022%0.217CC..  trans-119.520.3175.9-58.4174.2000110.8L154 L176 T181 V183 L188 L191 V202 L203 C206L154-L178 HydrophobicContact CB-CD2 4.06Å; L154-L178 HydrophobicContact CD1-CD2 3.83Å; L154-L178 HydrophobicContact CG-CD2 4.47Å; L176-L178 HydrophobicContact CD1-CD2 4.22Å; L176-L178 HydrophobicContact CD2-CD1 4.03Å; L176-L178 HydrophobicContact CD2-CD2 4.29Å; L176-L178 HydrophobicContact CD2-CG 4.13Å; L176-L178 HydrophobicContact CG-CD1 4.43Å; L176-L178 HydrophobicContact CG-CD2 4.18Å; L176-L178 HydrophobicContact CG-CG 4Å; L178-T181 WeakPolarHBondContact O-CB 3.13Å; L178-T181 VanDerWaalsContact O-CG2 3.28Å; L178-T181 WeakPolarHBondContact O-CG2 3.48Å; L178-T181 PolarHBondContact O-N 3Å; L178-T181 PolarHBondContact O-OG1 2.73Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; L178-L188 HydrophobicContact CD1-CD1 4.04Å; L178-L191 HydrophobicContact CD1-CD1 4.02Å; L178-V202 PolarHBondContact N-O 2.88Å; L178-L203 HydrophobicContact CB-CD2 4.06Å; L178-L203 HydrophobicContact CD1-CD2 4.03Å; L178-C206 PolarHBondContact O-SG 3.28Å
179S96.6Very high94.3Very high11 Ų1147.9 Ų47.98%0.07723%0.23CC..THydrogen-bonded Turntrans-60141.4-175.657.30000112.6S155 R156 D177 T181 S204S155-S179 CarbonylContact C-O 3.36Å; S155-S179 WeakPolarHBondContact CA-O 3.45Å; S155-S179 WeakPolarHBondContact CB-O 3.32Å; S155-S179 WeakPolarHBondContact CB-OG 3.34Å; R156-S179 PolarHBondContact N-O 3.34Å; D177-S179 WeakPolarHBondContact OD1-CB 3.5Å; D177-S179 PolarHBondContact OD1-N 2.89Å; D177-S179 PolarHBondContact OD1-OG 3.44Å; S179-T181 PolarHBondContact O-N 3.42Å; S179-S204 CarbonylContact C-O 3.39Å; S179-S204 WeakPolarHBondContact CA-O 3.13Å; S179-S204 VanDerWaalsContact CB-O 3.25Å; S179-S204 WeakPolarHBondContact CB-O 3.08Å
180W95.1Very high94.3Very high130 Ų13051.3 Ų51.349%0.49224%0.243SC..THydrogen-bonded Turntrans54.735.2179.2-50.996.6000112.8R156 S204 W229R156-W180 WeakPolarHBondContact CA-O 3.3Å; R156-W180 HydrophobicContact CG-CB 3.87Å; R156-W180 HydrophobicContact CG-CG 4.39Å; W180-S204 PolarHBondContact N-O 2.86Å; W180-W229 HydrophobicContact CH2-CB 4.09Å; W180-W229 HydrophobicContact CZ2-CB 4.34Å
181T95Very high94.5Very high9 Ų946.2 Ų46.26%0.05522%0.224CC..  trans-109.8151.4173.968.60000111L154 R157 L178 S179 V183L154-T181 WeakPolarHBondContact O-CG2 3.31Å; R157-T181 HydrophobicContact CB-CG2 4.28Å; L178-T181 WeakPolarHBondContact O-CB 3.13Å; L178-T181 VanDerWaalsContact O-CG2 3.28Å; L178-T181 WeakPolarHBondContact O-CG2 3.48Å; L178-T181 PolarHBondContact O-N 3Å; L178-T181 PolarHBondContact O-OG1 2.73Å; S179-T181 PolarHBondContact O-N 3.42Å; T181-V183 PolarHBondContact O-N 3.08Å
182G91.1Very high94.4Very high66 Ų6645.3 Ų45.368%0.6822%0.221SC*.  trans-78.238.2169.100000113.3S184G182-S184 PolarHBondContact O-N 2.81Å
183V94.8Very high94.3Very high3 Ų346.9 Ų46.92%0.01823%0.231CC..  trans-61132.7176.366.60000109.2L160 L178 T181 Q187 L188 S210L160-V183 HydrophobicContact CD1-CB 3.56Å; L160-V183 HydrophobicContact CD1-CG2 3.88Å; L178-V183 HydrophobicContact CD1-CG2 4.41Å; T181-V183 PolarHBondContact O-N 3.08Å; V183-Q187 HydrophobicContact CG2-CB 3.91Å; V183-L188 HydrophobicContact CG2-CB 4.18Å; V183-S210 WeakPolarHBondContact O-CB 3.37Å; V183-S210 PolarHBondContact O-OG 3.21Å
184S93.8Very high94.1Very high47 Ų4750.1 Ų50.133%0.32924%0.243SC..  trans-89.2158.4175.765.60000112.3G182 K186 Q187 L188 S210G182-S184 PolarHBondContact O-N 2.81Å; S184-K186 PolarHBondContact O-N 3.2Å; S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 VanDerWaalsContact OG-CD 3.28Å; S184-Q187 VanDerWaalsContact OG-CG 3.25Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 2.74Å; S184-Q187 PolarHBondContact OG-OE1 2.86Å; S184-L188 PolarHBondContact O-N 2.93Å; S184-S210 WeakPolarHBondContact CA-OG 3.43Å
185K93.4Very high94Very high74 Ų7442.5 Ų42.532%0.32221%0.214SC..Hα-helixtrans-48.7-43.7173-166.7178.6-179.6151.30112.7M189 L209 S210 S212 A213K185-M189 WeakPolarHBondContact O-CB 3.43Å; K185-M189 PolarHBondContact O-N 3.29Å; K185-L209 WeakPolarHBondContact CB-O 3.17Å; K185-S210 PolarHBondContact N-OG 3.34Å; K185-S212 WeakPolarHBondContact CD-OG 3.47Å; K185-S212 VanDerWaalsContact CE-OG 3.27Å; K185-S212 WeakPolarHBondContact CE-OG 3.34Å; K185-S212 PolarHBondContact NZ-OG 3.29Å; K185-A213 HydrophobicContact CG-CB 3.7Å; K185-A213 WeakPolarHBondContact O-CB 3.45Å
186K93.1Very high93.5Very high179 Ų17948.5 Ų48.578%0.77824%0.241SC*.Hα-helixtrans-66-42.5179.8-68.8-179.9-178.3172.10112.1S184 W190S184-K186 PolarHBondContact O-N 3.2Å; K186-W190 VanDerWaalsContact O-CB 3.25Å; K186-W190 WeakPolarHBondContact O-CB 3.47Å; K186-W190 PolarHBondContact O-N 2.82Å
187Q94.6Very high93.1Very high46 Ų4650.2 Ų50.222%0.21526%0.26CS..Hα-helixtrans-67.5-44.5178.5-71.9164.9-44.200111.3L160 L165 V183 S184 W190 L191L160-Q187 PolarHBondContact O-NE2 2.77Å; L160-Q187 VanDerWaalsContact O-NE2 3.1Å; L165-Q187 HydrophobicContact CD1-CB 3.9Å; L165-Q187 HydrophobicContact CD1-CG 3.65Å; V183-Q187 HydrophobicContact CG2-CB 3.91Å; S184-Q187 PolarHBondContact O-N 3.4Å; S184-Q187 VanDerWaalsContact OG-CD 3.28Å; S184-Q187 VanDerWaalsContact OG-CG 3.25Å; S184-Q187 WeakPolarHBondContact OG-CG 3.5Å; S184-Q187 PolarHBondContact OG-N 2.74Å; S184-Q187 PolarHBondContact OG-OE1 2.86Å; Q187-W190 WeakPolarHBondContact O-CB 3.5Å; Q187-W190 PolarHBondContact O-N 3.32Å; Q187-L191 WeakPolarHBondContact O-CG 3.34Å; Q187-L191 PolarHBondContact O-N 3.34Å
188L94.4Very high92.9Very high1 Ų148.4 Ų48.41%0.00525%0.25CC..Hα-helixtrans-63.2-46.7177.3-176.357.1000111L178 V183 S184 W190 L191 L192 L203 S210 A213L178-L188 HydrophobicContact CD1-CD1 4.04Å; V183-L188 HydrophobicContact CG2-CB 4.18Å; S184-L188 PolarHBondContact O-N 2.93Å; L188-W190 VanDerWaalsContact C-N 3.29Å; L188-W190 PolarHBondContact O-N 2.77Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 2.69Å; L188-L191 VanDerWaalsContact O-N 3.14Å; L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3Å; L188-L203 HydrophobicContact CD1-CD2 4.18Å; L188-L203 HydrophobicContact CD2-CD1 3.9Å; L188-L203 HydrophobicContact CD2-CD2 4.08Å; L188-S210 WeakPolarHBondContact CD2-O 3.12Å; L188-A213 HydrophobicContact CB-CB 4.09Å; L188-A213 HydrophobicContact CD2-CB 4.1Å; L188-A213 HydrophobicContact CG-CB 4.12Å
189M92.6Very high92.7Very high58 Ų5851.2 Ų51.229%0.28626%0.263SS..Hα-helixtrans-57.9-41.7174.4-175.1-179.5-66.600112.1K185 L191 L192 N193 A213 A217K185-M189 WeakPolarHBondContact O-CB 3.43Å; K185-M189 PolarHBondContact O-N 3.29Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.48Å; M189-L192 PolarHBondContact O-N 2.91Å; M189-N193 WeakPolarHBondContact O-CB 3.34Å; M189-N193 VanDerWaalsContact O-CG 3.27Å; M189-N193 PolarHBondContact O-N 3.47Å; M189-N193 VanDerWaalsContact O-N 3.1Å; M189-N193 PolarHBondContact O-ND2 2.92Å; M189-A213 HydrophobicContact CB-CB 4.23Å; M189-A217 HydrophobicContact CG-CB 4.23Å
190W93Very high92.7Very high71 Ų7153 Ų5327%0.26927%0.27SS..Hα-helixtrans-63.8-38.1177.3-175.894000112.6V90 L165 V169 K186 Q187 L188 R194V90-W190 HydrophobicContact CB-CH2 4.33Å; V90-W190 HydrophobicContact CB-CZ2 4.23Å; V90-W190 HydrophobicContact CG2-CH2 4.41Å; V90-W190 HydrophobicContact CG2-CZ2 4.28Å; L165-W190 HydrophobicContact CB-CE3 4.23Å; L165-W190 HydrophobicContact CB-CZ3 3.74Å; V169-W190 HydrophobicContact CB-CH2 4.28Å; V169-W190 HydrophobicContact CB-CZ3 4.35Å; V169-W190 HydrophobicContact CG2-CE3 4.18Å; V169-W190 HydrophobicContact CG2-CH2 3.72Å; V169-W190 HydrophobicContact CG2-CZ3 3.37Å; K186-W190 VanDerWaalsContact O-CB 3.25Å; K186-W190 WeakPolarHBondContact O-CB 3.47Å; K186-W190 PolarHBondContact O-N 2.82Å; Q187-W190 WeakPolarHBondContact O-CB 3.5Å; Q187-W190 PolarHBondContact O-N 3.32Å; L188-W190 VanDerWaalsContact C-N 3.29Å; L188-W190 PolarHBondContact O-N 2.77Å; W190-R194 VanDerWaalsContact NE1-NE 3.14Å; W190-R194 WeakPolarHBondContact O-CG 3.47Å
191L93.9Very high92.8Very high2 Ų246.8 Ų46.81%0.0125%0.246CC..Hα-helixtrans-67.3-51174.3-72.9172.7000111.6L165 V168 V169 L176 L178 Q187 L188 M189 N193 R194 L195L165-L191 HydrophobicContact CB-CD2 4.28Å; L165-L191 HydrophobicContact CD2-CD1 3.93Å; L165-L191 HydrophobicContact CD2-CD2 4.2Å; L165-L191 HydrophobicContact CD2-CG 4.27Å; V168-L191 HydrophobicContact CB-CD2 4.27Å; V168-L191 HydrophobicContact CG1-CD2 4.16Å; V169-L191 HydrophobicContact CG2-CD2 4.02Å; L176-L191 HydrophobicContact CD2-CD1 4.14Å; L178-L191 HydrophobicContact CD1-CD1 4.02Å; Q187-L191 WeakPolarHBondContact O-CG 3.34Å; Q187-L191 PolarHBondContact O-N 3.34Å; L188-L191 WeakPolarHBondContact O-CB 3.46Å; L188-L191 PolarHBondContact O-N 2.69Å; L188-L191 VanDerWaalsContact O-N 3.14Å; M189-L191 VanDerWaalsContact C-N 3.34Å; M189-L191 PolarHBondContact O-N 3.48Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.87Å; L191-R194 CarbonylContact O-C 3.53Å; L191-R194 PolarHBondContact O-N 3.5Å; L191-L195 HydrophobicContact CB-CD1 4.09Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 2.92Å
192L91.3Very high92.9Very high3 Ų347.2 Ų47.22%0.01625%0.249CC..Hα-helixtrans-57.5-41.2-177.7-68170000111.9L188 M189 R194 L198 L201 L214 A217L188-L192 HydrophobicContact CD1-CD1 4.28Å; L188-L192 HydrophobicContact CD1-CG 4.19Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.34Å; L188-L192 VanDerWaalsContact O-CG 3.29Å; L188-L192 WeakPolarHBondContact O-CG 3.45Å; L188-L192 PolarHBondContact O-N 3Å; M189-L192 PolarHBondContact O-N 2.91Å; L192-R194 PolarHBondContact O-N 3.21Å; L192-R194 VanDerWaalsContact O-N 3.12Å; L192-L198 HydrophobicContact CD2-CD2 4.41Å; L192-L201 HydrophobicContact CD2-CD2 3.98Å; L192-L214 HydrophobicContact CD1-CD2 3.7Å; L192-L214 HydrophobicContact CD2-CD2 4.23Å; L192-A217 HydrophobicContact CB-CB 4.13Å; L192-A217 HydrophobicContact CD1-CB 3.88Å
193N90.4Very high93.2Very high71 Ų7144 Ų4438%0.3822%0.217SC..THydrogen-bonded Turntrans-63-18.7176.4-76.2-32000114.2M189 L191 Q196 P218M189-N193 WeakPolarHBondContact O-CB 3.34Å; M189-N193 VanDerWaalsContact O-CG 3.27Å; M189-N193 PolarHBondContact O-N 3.47Å; M189-N193 VanDerWaalsContact O-N 3.1Å; M189-N193 PolarHBondContact O-ND2 2.92Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 2.87Å; N193-Q196 PolarHBondContact O-NE2 2.88Å; N193-P218 WeakPolarHBondContact OD1-CD 3.41Å; N193-P218 WeakPolarHBondContact OD1-CG 3.41Å
194R91.4Very high93.2Very high69 Ų6944.2 Ų44.226%0.2622%0.218SC..THydrogen-bonded Turntrans-116.3-9.7-172.6-63.7179.2-173.2-80.1-10.9113.6V90 V169 Q172 W190 L191 L192V90-R194 PolarHBondContact O-NH1 3.21Å; V169-R194 HydrophobicContact CB-CB 4.49Å; V169-R194 HydrophobicContact CG1-CB 3.82Å; V169-R194 HydrophobicContact CG1-CG 4.5Å; V169-R194 HydrophobicContact CG2-CB 3.79Å; Q172-R194 PolarHBondContact NE2-O 2.84Å; Q172-R194 PolarHBondContact OE1-O 2.98Å; W190-R194 VanDerWaalsContact NE1-NE 3.14Å; W190-R194 WeakPolarHBondContact O-CG 3.47Å; L191-R194 CarbonylContact O-C 3.53Å; L191-R194 PolarHBondContact O-N 3.5Å; L192-R194 PolarHBondContact O-N 3.21Å; L192-R194 VanDerWaalsContact O-N 3.12Å
195L91.3Very high93.3Very high1 Ų142.6 Ų42.61%0.00521%0.209CC..  trans-107.669-177-65.9176.9000111V168 L176 L191 G197 L198V168-L195 HydrophobicContact CG1-CD1 4.13Å; V168-L195 HydrophobicContact CG1-CD2 4.36Å; L176-L195 HydrophobicContact CD2-CD1 3.88Å; L191-L195 HydrophobicContact CB-CD1 4.09Å; L191-L195 HydrophobicContact CD2-CD1 4.32Å; L191-L195 WeakPolarHBondContact O-CB 3.35Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.41Å; L191-L195 PolarHBondContact O-N 2.92Å; L195-G197 PolarHBondContact O-N 2.94Å; L195-L198 HydrophobicContact CB-CB 4.08Å; L195-L198 HydrophobicContact CD1-CD2 4.43Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.84Å
196Q86.5Confident93.3Very high133 Ų13339.2 Ų39.262%0.62119%0.194SC*.THydrogen-bonded Turntrans-68-20.1-174.5-58.6-59.2-32.800113.6N193N193-Q196 PolarHBondContact O-NE2 2.88Å
197G88.6Confident93.3Very high40 Ų4032.9 Ų32.941%0.41217%0.173SC..THydrogen-bonded Turntrans-987178.700000115L195L195-G197 PolarHBondContact O-N 2.94Å
198L92.9Very high93.2Very high2 Ų232.1 Ų32.11%0.0117%0.168CC..  trans-70.2129.7-177.4-170.471000110.5L176 L192 L195 E200 L201 P220 L222L176-L198 HydrophobicContact CB-CD1 3.68Å; L192-L198 HydrophobicContact CD2-CD2 4.41Å; L195-L198 HydrophobicContact CB-CB 4.08Å; L195-L198 HydrophobicContact CD1-CD2 4.43Å; L195-L198 WeakPolarHBondContact O-CB 3.48Å; L195-L198 PolarHBondContact O-N 2.84Å; L198-E200 WeakPolarHBondContact CD1-O 3.16Å; L198-L201 HydrophobicContact CD2-CB 4.21Å; L198-L201 HydrophobicContact CD2-CD1 4.3Å; L198-P220 HydrophobicContact CB-CB 4.32Å; L198-P220 HydrophobicContact CB-CG 3.85Å; L198-P220 HydrophobicContact CD2-CG 4.34Å; L198-L222 HydrophobicContact CD2-CD2 4.12Å; L198-L222 HydrophobicContact CG-CD2 4.03Å
199Q93.9Very high93Very high60 Ų6038 Ų3828%0.2820%0.199SC..  trans-118.4-31.8-180-64.2-175.47.500112R174 L222 R223 L224R174-Q199 PolarHBondContact O-N 2.96Å; Q199-L222 CarbonylContact O-C 3.4Å; Q199-L222 WeakPolarHBondContact O-CA 3.3Å; Q199-R223 HydrophobicContact CB-CG 4.38Å; Q199-R223 PolarHBondContact O-N 2.65Å; Q199-L224 PolarHBondContact O-N 2.8Å
200E96.4Very high93Very high47 Ų4735.8 Ų35.822%0.2219%0.189CC..EExtended strand (participates in β ladder)trans-121.9124.9-179.3-50.1174.5-179.500108.7R151 R174 A175 L176 L198 L224R151-E200 IonicContact CZ-OE2 2.69Å; R151-E200 VanDerWaalsContact CZ-OE2 3.25Å; R151-E200 IonicContact NE-OE2 2.72Å; R151-E200 PolarHBondContact NE-OE2 3.15Å; R151-E200 IonicContact NH2-OE1 2.89Å; R151-E200 PolarHBondContact NH2-OE1 2.98Å; R151-E200 IonicContact NH2-OE2 3.94Å; R151-E200 PolarHBondContact NH2-OE2 2.69Å; R174-E200 PolarHBondContact O-N 2.99Å; A175-E200 CarbonylContact C-O 3.52Å; A175-E200 WeakPolarHBondContact CA-O 3.41Å; A175-E200 HydrophobicContact CB-CB 3.68Å; A175-E200 HydrophobicContact CB-CG 4.16Å; A175-E200 WeakPolarHBondContact CB-OE2 3.31Å; L176-E200 PolarHBondContact N-O 2.73Å; L198-E200 WeakPolarHBondContact CD1-O 3.16Å; E200-L224 WeakPolarHBondContact CA-O 3.45Å; E200-L224 HydrophobicContact CB-CB 4.08Å; E200-L224 HydrophobicContact CB-CD2 4.49Å; E200-L224 HydrophobicContact CG-CB 3.97Å
201L96.8Very high93Very high0 Ų032.4 Ų32.40%018%0.176CC..EExtended strand (participates in β ladder)trans-128.9121177.3178.759.8000109.7L176 L192 L198 L203 L214 L222 L224 L225 D226L176-L201 HydrophobicContact CB-CD1 4.48Å; L192-L201 HydrophobicContact CD2-CD2 3.98Å; L198-L201 HydrophobicContact CD2-CB 4.21Å; L198-L201 HydrophobicContact CD2-CD1 4.3Å; L201-L203 HydrophobicContact CD1-CD2 4.14Å; L201-L203 HydrophobicContact CD1-CG 4.2Å; L201-L203 HydrophobicContact CD2-CD1 3.96Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.11Å; L201-L203 HydrophobicContact CG-CD2 4.45Å; L201-L203 HydrophobicContact CG-CG 3.99Å; L201-L214 HydrophobicContact CD2-CD2 3.7Å; L201-L222 HydrophobicContact CB-CD1 4.43Å; L201-L222 HydrophobicContact CB-CD2 3.98Å; L201-L222 HydrophobicContact CD2-CD1 4.4Å; L201-L224 PolarHBondContact N-O 2.88Å; L201-L225 HydrophobicContact CB-CD1 4.26Å; L201-L225 HydrophobicContact CD2-CD1 4.25Å; L201-L225 HydrophobicContact CG-CD1 4.32Å; L201-L225 WeakPolarHBondContact O-CA 3.31Å; L201-D226 PolarHBondContact O-N 3.12Å
202V97.3Very high92.9Very high18 Ų1832.6 Ų32.611%0.10918%0.178CC..EExtended strand (participates in β ladder)trans-113.2120.4178.8-176.60000109.5L176 D177 L178 S204 L224 D226L176-V202 PolarHBondContact O-N 2.92Å; D177-V202 HydrophobicContact CB-CB 4.16Å; L178-V202 PolarHBondContact N-O 2.88Å; V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; V202-L224 HydrophobicContact CG2-CD2 4.24Å; V202-D226 HydrophobicContact CB-CB 4.18Å; V202-D226 HydrophobicContact CG1-CB 3.94Å; V202-D226 HydrophobicContact CG2-CB 4.02Å
203L96.1Very high92.9Very high0 Ų032.5 Ų32.50%018%0.177CC..  trans-127.725.5-177.8-62169.9000111L178 L188 L201 G205 C206 V211 L214 D226 L227L178-L203 HydrophobicContact CB-CD2 4.06Å; L178-L203 HydrophobicContact CD1-CD2 4.03Å; L188-L203 HydrophobicContact CD1-CD2 4.18Å; L188-L203 HydrophobicContact CD2-CD1 3.9Å; L188-L203 HydrophobicContact CD2-CD2 4.08Å; L201-L203 HydrophobicContact CD1-CD2 4.14Å; L201-L203 HydrophobicContact CD1-CG 4.2Å; L201-L203 HydrophobicContact CD2-CD1 3.96Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.11Å; L201-L203 HydrophobicContact CG-CD2 4.45Å; L201-L203 HydrophobicContact CG-CG 3.99Å; L203-G205 PolarHBondContact O-N 3.26Å; L203-C206 HydrophobicContact CB-CB 4.49Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.83Å; L203-V211 HydrophobicContact CB-CG2 4.21Å; L203-V211 HydrophobicContact CD1-CG1 4.4Å; L203-V211 HydrophobicContact CD1-CG2 4.03Å; L203-L214 HydrophobicContact CD1-CD1 3.91Å; L203-L214 HydrophobicContact CD1-CG 4.35Å; L203-D226 PolarHBondContact N-O 2.92Å; L203-L227 HydrophobicContact CB-CD2 4.18Å; L203-L227 HydrophobicContact CD1-CD2 4.1Å
204S96.1Very high92.8Very high6 Ų629.1 Ų29.14%0.04216%0.159CC..THydrogen-bonded Turntrans-59.7136.1-176.9-36.90000110.9S179 W180 V202 C206 D226 R228S179-S204 CarbonylContact C-O 3.39Å; S179-S204 WeakPolarHBondContact CA-O 3.13Å; S179-S204 VanDerWaalsContact CB-O 3.25Å; S179-S204 WeakPolarHBondContact CB-O 3.08Å; W180-S204 PolarHBondContact N-O 2.86Å; V202-S204 WeakPolarHBondContact CG1-OG 3.47Å; S204-C206 PolarHBondContact O-N 2.69Å; S204-D226 PolarHBondContact OG-OD1 2.9Å; S204-R228 CarbonylContact C-O 3.59Å; S204-R228 WeakPolarHBondContact CA-O 3.15Å; S204-R228 WeakPolarHBondContact CB-O 3.43Å
205G94.2Very high92.4Very high14 Ų1426.3 Ų26.314%0.14415%0.152CC..THydrogen-bonded Turntrans67.514.7179.700000115L203 R228 W229L203-G205 PolarHBondContact O-N 3.26Å; G205-R228 PolarHBondContact N-O 2.77Å; G205-W229 WeakPolarHBondContact CA-O 3.4Å
206C93.6Very high92Very high2 Ų230 Ų301%0.01418%0.177CC..  trans-85.4164.9168.5-70.80000110.7L178 L203 S204 V211 I230L178-C206 PolarHBondContact O-SG 3.28Å; L203-C206 HydrophobicContact CB-CB 4.49Å; L203-C206 WeakPolarHBondContact O-CB 3.44Å; L203-C206 PolarHBondContact O-N 2.83Å; S204-C206 PolarHBondContact O-N 2.69Å; C206-V211 HydrophobicContact CB-CG2 4.34Å; C206-I230 WeakPolarHBondContact O-CA 3.1Å; C206-I230 WeakPolarHBondContact O-CG2 3.28Å
207S93.1Very high91.7Very high47 Ų4723.8 Ų23.833%0.32915%0.149SC..BIsolated β-bridgetrans-77.1143.3172.5175.10000112.1L209 S210 V211S207-L209 PolarHBondContact O-N 2.78Å; S207-L209 PolarHBondContact OG-N 2.96Å; S207-S210 WeakPolarHBondContact O-CB 3.43Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 VanDerWaalsContact O-N 3.08Å; S207-V211 PolarHBondContact O-N 2.9Å
208W92.6Very high91.1Very high29 Ų2925.7 Ų25.711%0.1115%0.154CC..Hα-helixtrans-54.2-37.1174172.9-108.5000113.1S210 V211 S212 I230 V233 Q237 E240 L241W208-S210 PolarHBondContact O-N 3.47Å; W208-S210 VanDerWaalsContact O-N 3.09Å; W208-V211 HydrophobicContact CE3-CB 4.04Å; W208-V211 HydrophobicContact CE3-CG1 4Å; W208-V211 HydrophobicContact CZ3-CB 4.34Å; W208-V211 HydrophobicContact CZ3-CG1 3.84Å; W208-V211 CarbonylContact O-C 3.43Å; W208-V211 PolarHBondContact O-N 3.47Å; W208-S212 PolarHBondContact O-N 2.79Å; W208-I230 HydrophobicContact CB-CG2 4.1Å; W208-V233 HydrophobicContact CB-CG2 3.93Å; W208-V233 HydrophobicContact CD2-CG2 4.19Å; W208-V233 HydrophobicContact CE3-CG2 3.74Å; W208-V233 HydrophobicContact CG-CG2 4.28Å; W208-Q237 VanDerWaalsContact CD1-CG 3.49Å; W208-Q237 HydrophobicContact CD2-CB 3.69Å; W208-Q237 HydrophobicContact CD2-CG 3.68Å; W208-Q237 VanDerWaalsContact CE2-CB 3.42Å; W208-Q237 HydrophobicContact CE3-CB 4.01Å; W208-Q237 HydrophobicContact CE3-CG 4.48Å; W208-Q237 HydrophobicContact CG-CB 4.29Å; W208-Q237 HydrophobicContact CG-CG 3.78Å; W208-Q237 HydrophobicContact CH2-CB 3.86Å; W208-Q237 WeakPolarHBondContact CH2-O 3.37Å; W208-Q237 HydrophobicContact CZ2-CB 3.53Å; W208-Q237 HydrophobicContact CZ2-CG 3.94Å; W208-Q237 VanDerWaalsContact CZ2-O 3.27Å; W208-Q237 WeakPolarHBondContact CZ2-O 3.38Å; W208-Q237 HydrophobicContact CZ3-CB 4.09Å; W208-E240 HydrophobicContact CZ2-CB 4.28Å; W208-L241 HydrophobicContact CH2-CB 4.07Å
209L91.9Very high90.3Very high125 Ų12527.4 Ų27.465%0.65416%0.163SC*.Hα-helixtrans-53-37.9179.1-71.5173.4000111.7K185 S207 S212K185-L209 WeakPolarHBondContact CB-O 3.17Å; S207-L209 PolarHBondContact O-N 2.78Å; S207-L209 PolarHBondContact OG-N 2.96Å; L209-S212 PolarHBondContact O-OG 2.97Å
210S92.4Very high89.5Confident12 Ų1225.1 Ų25.18%0.08415%0.153CC..Hα-helixtrans-77.6-44.2177.6-60.20000112V183 S184 K185 L188 S207 W208 S212 A213V183-S210 WeakPolarHBondContact O-CB 3.37Å; V183-S210 PolarHBondContact O-OG 3.21Å; S184-S210 WeakPolarHBondContact CA-OG 3.43Å; K185-S210 PolarHBondContact N-OG 3.34Å; L188-S210 WeakPolarHBondContact CD2-O 3.12Å; S207-S210 WeakPolarHBondContact O-CB 3.43Å; S207-S210 PolarHBondContact O-N 2.95Å; S207-S210 VanDerWaalsContact O-N 3.08Å; W208-S210 PolarHBondContact O-N 3.47Å; W208-S210 VanDerWaalsContact O-N 3.09Å; S210-S212 VanDerWaalsContact C-N 3.26Å; S210-S212 PolarHBondContact O-N 3.16Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.88Å
211V92.9Very high88.9Confident0 Ų026.9 Ų26.90%018%0.176CC..Hα-helixtrans-63.6-28.8178.4179.10000112.6L203 C206 S207 W208 A213 L214 L227 I230L203-V211 HydrophobicContact CB-CG2 4.21Å; L203-V211 HydrophobicContact CD1-CG1 4.4Å; L203-V211 HydrophobicContact CD1-CG2 4.03Å; C206-V211 HydrophobicContact CB-CG2 4.34Å; S207-V211 PolarHBondContact O-N 2.9Å; W208-V211 HydrophobicContact CE3-CB 4.04Å; W208-V211 HydrophobicContact CE3-CG1 4Å; W208-V211 HydrophobicContact CZ3-CB 4.34Å; W208-V211 HydrophobicContact CZ3-CG1 3.84Å; W208-V211 CarbonylContact O-C 3.43Å; W208-V211 PolarHBondContact O-N 3.47Å; V211-A213 PolarHBondContact O-N 2.97Å; V211-L214 HydrophobicContact CG1-CD1 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.42Å; V211-L214 WeakPolarHBondContact O-CB 3.31Å; V211-L214 VanDerWaalsContact O-CG 3.31Å; V211-L214 WeakPolarHBondContact O-CG 3.49Å; V211-L214 PolarHBondContact O-N 3.14Å; V211-L227 HydrophobicContact CG1-CD2 3.77Å; V211-I230 HydrophobicContact CB-CD1 4.29Å; V211-I230 HydrophobicContact CG1-CD1 4.11Å; V211-I230 HydrophobicContact CG2-CD1 3.67Å
212S91.5Very high88.6Confident6 Ų627.1 Ų27.14%0.04218%0.177CC..THydrogen-bonded Turntrans-58.2-17.5172.277.20000113.2K185 W208 L209 S210 L214 G215K185-S212 WeakPolarHBondContact CD-OG 3.47Å; K185-S212 VanDerWaalsContact CE-OG 3.27Å; K185-S212 WeakPolarHBondContact CE-OG 3.34Å; K185-S212 PolarHBondContact NZ-OG 3.29Å; W208-S212 PolarHBondContact O-N 2.79Å; L209-S212 PolarHBondContact O-OG 2.97Å; S210-S212 VanDerWaalsContact C-N 3.26Å; S210-S212 PolarHBondContact O-N 3.16Å; S212-L214 PolarHBondContact O-N 3.22Å; S212-G215 PolarHBondContact O-N 3.16Å
213A90.8Very high88.4Confident0 Ų033 Ų330%020%0.197CC..Hα-helixtrans-57.1-33.5168.300000112K185 L188 M189 S210 V211 G215 S216 A217K185-A213 HydrophobicContact CG-CB 3.7Å; K185-A213 WeakPolarHBondContact O-CB 3.45Å; L188-A213 HydrophobicContact CB-CB 4.09Å; L188-A213 HydrophobicContact CD2-CB 4.1Å; L188-A213 HydrophobicContact CG-CB 4.12Å; M189-A213 HydrophobicContact CB-CB 4.23Å; S210-A213 WeakPolarHBondContact O-CB 3.37Å; S210-A213 PolarHBondContact O-N 2.88Å; V211-A213 PolarHBondContact O-N 2.97Å; A213-G215 PolarHBondContact O-N 2.68Å; A213-S216 PolarHBondContact O-N 3.49Å; A213-A217 VanDerWaalsContact O-CB 3.23Å; A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 3.04Å
214L88.5Confident88.4Confident1 Ų133.7 Ų33.71%0.00520%0.201CC..Hα-helixtrans-56.9-41.9174.4-65.5176.1000109.7L192 L201 L203 V211 S212 S216 L219 L225 L227 L241 R258L192-L214 HydrophobicContact CD1-CD2 3.7Å; L192-L214 HydrophobicContact CD2-CD2 4.23Å; L201-L214 HydrophobicContact CD2-CD2 3.7Å; L203-L214 HydrophobicContact CD1-CD1 3.91Å; L203-L214 HydrophobicContact CD1-CG 4.35Å; V211-L214 HydrophobicContact CG1-CD1 3.74Å; V211-L214 HydrophobicContact CG1-CG 4.42Å; V211-L214 WeakPolarHBondContact O-CB 3.31Å; V211-L214 VanDerWaalsContact O-CG 3.31Å; V211-L214 WeakPolarHBondContact O-CG 3.49Å; V211-L214 PolarHBondContact O-N 3.14Å; S212-L214 PolarHBondContact O-N 3.22Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.08Å; L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CD2-CD2 3.49Å; L214-L219 VanDerWaalsContact CD2-CD2 3.49Å; L214-L219 HydrophobicContact CG-CD2 4.4Å; L214-L225 HydrophobicContact CD1-CD1 3.97Å; L214-L225 HydrophobicContact CD1-CD2 4.18Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; L214-L241 HydrophobicContact CB-CD1 3.39Å; L214-L241 HydrophobicContact CD1-CD1 3.98Å; L214-L241 HydrophobicContact CG-CD1 4.35Å; L214-R258 VanDerWaalsContact C-NH1 3.29Å; L214-R258 PolarHBondContact O-NH1 3.29Å; L214-R258 PolarHBondContact O-NH2 2.84Å
215G83.3Confident88.4Confident10 Ų1033.4 Ų33.410%0.10320%0.199CC..Hα-helixtrans-57.9-37.4178.700000114.5S212 A213 R258S212-G215 PolarHBondContact O-N 3.16Å; A213-G215 PolarHBondContact O-N 2.68Å; G215-R258 PolarHBondContact O-NE 3.1Å; G215-R258 PolarHBondContact O-NH2 3.33Å
216S82.2Confident88.5Confident77 Ų7732.8 Ų32.854%0.53819%0.192SC..Hα-helixtrans-99.6-24.3-173.6-410000114.5A213 L214A213-S216 PolarHBondContact O-N 3.49Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.08Å
217A79.9Confident88.6Confident3 Ų332.8 Ų32.83%0.02519%0.192CC..SBendtrans-85.6151.8-175.500000112.2M189 L192 A213 L219 R258M189-A217 HydrophobicContact CG-CB 4.23Å; L192-A217 HydrophobicContact CB-CB 4.13Å; L192-A217 HydrophobicContact CD1-CB 3.88Å; A213-A217 VanDerWaalsContact O-CB 3.23Å; A213-A217 WeakPolarHBondContact O-CB 3.48Å; A213-A217 PolarHBondContact O-N 3.04Å; A217-L219 PolarHBondContact O-N 2.72Å; A217-L219 VanDerWaalsContact O-N 3.13Å; A217-R258 PolarHBondContact O-NH2 3.18Å
218P77.6Confident88.7Confident80 Ų8034.3 Ų34.352%0.51919%0.191SC..PPolyproline II helixtrans-59.8118.1164.326.5-33.3000109N193N193-P218 WeakPolarHBondContact OD1-CD 3.41Å; N193-P218 WeakPolarHBondContact OD1-CG 3.41Å
219L75.4Confident88.8Confident38 Ų3838.6 Ų38.620%0.19921%0.207CC..PPolyproline II helixtrans-80.5131.3176-68.8175.9000109.2L214 A217 L222 R258 L259L214-L219 HydrophobicContact CB-CD2 4.12Å; L214-L219 HydrophobicContact CD2-CD2 3.49Å; L214-L219 VanDerWaalsContact CD2-CD2 3.49Å; L214-L219 HydrophobicContact CG-CD2 4.4Å; A217-L219 PolarHBondContact O-N 2.72Å; A217-L219 VanDerWaalsContact O-N 3.13Å; L219-L222 HydrophobicContact CD2-CD1 4.29Å; L219-R258 HydrophobicContact CD1-CB 4.07Å; L219-L259 HydrophobicContact CD1-CD2 3.77Å
220P76.8Confident88.9Confident13 Ų1333 Ų338%0.08418%0.178CC..PPolyproline II helixtrans-64.6171.3166.828.3-30.1000109.5L198 L222L198-P220 HydrophobicContact CB-CB 4.32Å; L198-P220 HydrophobicContact CB-CG 3.85Å; L198-P220 HydrophobicContact CD2-CG 4.34Å; P220-L222 HydrophobicContact CG-CD2 4.04Å; P220-L222 HydrophobicContact CG-CG 4.12Å; P220-L222 PolarHBondContact O-N 2.94Å
221A83.5Confident88.5Confident84 Ų8438.4 Ų38.469%0.69420%0.201SC*.  trans-69.769.9177.400000111.4R223A221-R223 PolarHBondContact O-N 2.89Å
222L90.2Very high87.8Confident4 Ų445.1 Ų45.12%0.02124%0.237CC..  trans-66.3129.5179.5-68.9177.9000109.3L198 Q199 L201 L219 P220 L225 G261 V262L198-L222 HydrophobicContact CD2-CD2 4.12Å; L198-L222 HydrophobicContact CG-CD2 4.03Å; Q199-L222 CarbonylContact O-C 3.4Å; Q199-L222 WeakPolarHBondContact O-CA 3.3Å; L201-L222 HydrophobicContact CB-CD1 4.43Å; L201-L222 HydrophobicContact CB-CD2 3.98Å; L201-L222 HydrophobicContact CD2-CD1 4.4Å; L219-L222 HydrophobicContact CD2-CD1 4.29Å; P220-L222 HydrophobicContact CG-CD2 4.04Å; P220-L222 HydrophobicContact CG-CG 4.12Å; P220-L222 PolarHBondContact O-N 2.94Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L222-G261 CarbonylContact O-C 3.56Å; L222-G261 VanDerWaalsContact O-O 3.06Å; L222-V262 HydrophobicContact CB-CG2 4.23Å; L222-V262 WeakPolarHBondContact O-CA 3.46Å; L222-V262 WeakPolarHBondContact O-CG2 3.23Å; L222-V262 PolarHBondContact O-N 2.68Å
223R93.8Very high87.7Confident142 Ų14245.1 Ų45.154%0.53624%0.237SC..SBendtrans-97.9-35.3171.8-65.1177.464.1-159-1.6111Q199 A221 A263 E264Q199-R223 HydrophobicContact CB-CG 4.38Å; Q199-R223 PolarHBondContact O-N 2.65Å; A221-R223 PolarHBondContact O-N 2.89Å; R223-A263 CarbonylContact O-C 3.41Å; R223-A263 PolarHBondContact O-N 3.3Å; R223-E264 PolarHBondContact O-N 3.44Å
224L96.1Very high87.6Confident15 Ų1550.4 Ų50.48%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-126126.6179.3-173.8159.4000109.9Q199 E200 L201 V202 D226 E264Q199-L224 PolarHBondContact O-N 2.8Å; E200-L224 WeakPolarHBondContact CA-O 3.45Å; E200-L224 HydrophobicContact CB-CB 4.08Å; E200-L224 HydrophobicContact CB-CD2 4.49Å; E200-L224 HydrophobicContact CG-CB 3.97Å; L201-L224 PolarHBondContact N-O 2.88Å; V202-L224 HydrophobicContact CG2-CD2 4.24Å; L224-D226 HydrophobicContact CD2-CB 4.02Å; L224-E264 VanDerWaalsContact CA-O 3.31Å; L224-E264 WeakPolarHBondContact CA-O 3.47Å; L224-E264 HydrophobicContact CB-CB 4.26Å; L224-E264 HydrophobicContact CD1-CB 4.36Å; L224-E264 HydrophobicContact CD1-CG 4.14Å; L224-E264 WeakPolarHBondContact CD1-OE2 3.41Å; L224-E264 HydrophobicContact CG-CB 4.06Å; L224-E264 HydrophobicContact CG-CG 4.04Å
225L95.9Very high87.7Confident0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-126.3121170.5-178.862000109.7L201 L214 L222 L227 L241 L259 V262 E264 L265 R266L201-L225 HydrophobicContact CB-CD1 4.26Å; L201-L225 HydrophobicContact CD2-CD1 4.25Å; L201-L225 HydrophobicContact CG-CD1 4.32Å; L201-L225 WeakPolarHBondContact O-CA 3.31Å; L214-L225 HydrophobicContact CD1-CD1 3.97Å; L214-L225 HydrophobicContact CD1-CD2 4.18Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L225-L227 HydrophobicContact CD1-CD2 3.9Å; L225-L227 HydrophobicContact CD1-CG 4.36Å; L225-L227 HydrophobicContact CD2-CD1 4.05Å; L225-L227 HydrophobicContact CD2-CD2 4.42Å; L225-L227 HydrophobicContact CD2-CG 4.26Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CD2 4.05Å; L225-L227 HydrophobicContact CG-CG 3.95Å; L225-L241 HydrophobicContact CD2-CD2 4.37Å; L225-L259 HydrophobicContact CD2-CD1 4.07Å; L225-L259 HydrophobicContact CD2-CD2 4.03Å; L225-V262 HydrophobicContact CB-CG1 4.44Å; L225-E264 PolarHBondContact N-O 2.85Å; L225-L265 HydrophobicContact CB-CD1 3.99Å; L225-L265 HydrophobicContact CD2-CD1 4.07Å; L225-L265 HydrophobicContact CG-CD1 4.15Å; L225-L265 WeakPolarHBondContact O-CA 3.12Å; L225-R266 PolarHBondContact O-N 2.89Å
226D96.7Very high88Confident0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-115.8115.4-179.4-177.1-22.9000110.3L201 V202 L203 S204 L224 R228 R266L201-D226 PolarHBondContact O-N 3.12Å; V202-D226 HydrophobicContact CB-CB 4.18Å; V202-D226 HydrophobicContact CG1-CB 3.94Å; V202-D226 HydrophobicContact CG2-CB 4.02Å; L203-D226 PolarHBondContact N-O 2.92Å; S204-D226 PolarHBondContact OG-OD1 2.9Å; L224-D226 HydrophobicContact CD2-CB 4.02Å; D226-R228 VanDerWaalsContact CG-NE 3.28Å; D226-R228 WeakPolarHBondContact OD1-CB 3.37Å; D226-R228 WeakPolarHBondContact OD1-CG 3.25Å; D226-R228 IonicContact OD1-CZ 3.8Å; D226-R228 PolarHBondContact OD1-N 2.76Å; D226-R228 VanDerWaalsContact OD1-N 3.14Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.66Å; D226-R228 IonicContact OD1-NH2 3.35Å; D226-R228 IonicContact OD2-CZ 2.78Å; D226-R228 IonicContact OD2-NE 2.88Å; D226-R228 PolarHBondContact OD2-NE 3.18Å; D226-R228 IonicContact OD2-NH2 3.63Å; D226-R228 PolarHBondContact OD2-NH2 2.86Å; D226-R266 HydrophobicContact CB-CB 4.25Å; D226-R266 VanDerWaalsContact OD2-CD 3.31Å; D226-R266 WeakPolarHBondContact OD2-CD 3.37Å; D226-R266 IonicContact OD2-CZ 2.64Å; D226-R266 IonicContact OD2-NH1 2.69Å; D226-R266 PolarHBondContact OD2-NH1 2.82Å
227L95.8Very high88.4Confident3 Ų353.5 Ų53.52%0.01627%0.273CS..  trans-123.126.4-175.5-59-176.3000111.1L203 V211 L214 L225 I230 L241 R266 L267L203-L227 HydrophobicContact CB-CD2 4.18Å; L203-L227 HydrophobicContact CD1-CD2 4.1Å; V211-L227 HydrophobicContact CG1-CD2 3.77Å; L214-L227 HydrophobicContact CD1-CD2 4.26Å; L225-L227 HydrophobicContact CD1-CD2 3.9Å; L225-L227 HydrophobicContact CD1-CG 4.36Å; L225-L227 HydrophobicContact CD2-CD1 4.05Å; L225-L227 HydrophobicContact CD2-CD2 4.42Å; L225-L227 HydrophobicContact CD2-CG 4.26Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CD2 4.05Å; L225-L227 HydrophobicContact CG-CG 3.95Å; L227-I230 HydrophobicContact CB-CD1 3.52Å; L227-I230 HydrophobicContact CB-CG1 4.42Å; L227-I230 HydrophobicContact CD2-CD1 3.76Å; L227-I230 HydrophobicContact CG-CD1 4.12Å; L227-I230 WeakPolarHBondContact O-CG1 3.31Å; L227-L241 HydrophobicContact CD1-CD2 3.63Å; L227-R266 CarbonylContact C-O 3.56Å; L227-R266 WeakPolarHBondContact CA-O 3.42Å; L227-R266 PolarHBondContact N-O 2.8Å; L227-L267 HydrophobicContact CB-CD2 4.11Å; L227-L267 HydrophobicContact CD1-CD2 4.01Å; L227-L267 HydrophobicContact CG-CD2 4.5Å
228R95.9Very high88.9Confident79 Ų7953.5 Ų53.530%0.29827%0.272SS..THydrogen-bonded Turntrans-63.4139.7-177-64.6178.7-71.4166.22.9111.5S204 G205 D226 I230 R266 A268S204-R228 CarbonylContact C-O 3.59Å; S204-R228 WeakPolarHBondContact CA-O 3.15Å; S204-R228 WeakPolarHBondContact CB-O 3.43Å; G205-R228 PolarHBondContact N-O 2.77Å; D226-R228 VanDerWaalsContact CG-NE 3.28Å; D226-R228 WeakPolarHBondContact OD1-CB 3.37Å; D226-R228 WeakPolarHBondContact OD1-CG 3.25Å; D226-R228 IonicContact OD1-CZ 3.8Å; D226-R228 PolarHBondContact OD1-N 2.76Å; D226-R228 VanDerWaalsContact OD1-N 3.14Å; D226-R228 IonicContact OD1-NE 3.89Å; D226-R228 PolarHBondContact OD1-NE 2.66Å; D226-R228 IonicContact OD1-NH2 3.35Å; D226-R228 IonicContact OD2-CZ 2.78Å; D226-R228 IonicContact OD2-NE 2.88Å; D226-R228 PolarHBondContact OD2-NE 3.18Å; D226-R228 IonicContact OD2-NH2 3.63Å; D226-R228 PolarHBondContact OD2-NH2 2.86Å; R228-I230 PolarHBondContact O-N 2.91Å; R228-R266 HydrophobicContact CG-CB 3.75Å; R228-A268 CarbonylContact C-O 3.56Å; R228-A268 WeakPolarHBondContact CA-O 3.33Å; R228-A268 HydrophobicContact CB-CB 4.13Å; R228-A268 HydrophobicContact CG-CB 3.6Å
229W94.3Very high89.4Confident119 Ų11956.1 Ų56.145%0.45127%0.272SS..THydrogen-bonded Turntrans55.134.6173.4-52.8105.9000114.2W180 G205 A268 H294W180-W229 HydrophobicContact CH2-CB 4.09Å; W180-W229 HydrophobicContact CZ2-CB 4.34Å; G205-W229 WeakPolarHBondContact CA-O 3.4Å; W229-A268 PolarHBondContact N-O 3.34Å; W229-H294 HydrophobicContact CH2-CB 3.58Å; W229-H294 AromaticContact CH2-CG 3.84Å; W229-H294 HydrophobicContact CZ2-CB 3.92Å; W229-H294 AromaticContact CZ2-CD2 3.84Å; W229-H294 AromaticContact CZ2-CG 3.91Å
230I93.5Very high90Very high7 Ų758.8 Ų58.84%0.03628%0.283CS..  trans-73130.1169.3-63.3174.3000108C206 W208 V211 L227 R228 V233 L270C206-I230 WeakPolarHBondContact O-CA 3.1Å; C206-I230 WeakPolarHBondContact O-CG2 3.28Å; W208-I230 HydrophobicContact CB-CG2 4.1Å; V211-I230 HydrophobicContact CB-CD1 4.29Å; V211-I230 HydrophobicContact CG1-CD1 4.11Å; V211-I230 HydrophobicContact CG2-CD1 3.67Å; L227-I230 HydrophobicContact CB-CD1 3.52Å; L227-I230 HydrophobicContact CB-CG1 4.42Å; L227-I230 HydrophobicContact CD2-CD1 3.76Å; L227-I230 HydrophobicContact CG-CD1 4.12Å; L227-I230 WeakPolarHBondContact O-CG1 3.31Å; R228-I230 PolarHBondContact O-N 2.91Å; I230-V233 HydrophobicContact CB-CG2 3.75Å; I230-V233 HydrophobicContact CG2-CG2 3.25Å; I230-L270 HydrophobicContact CB-CD2 4.08Å; I230-L270 WeakPolarHBondContact O-CD2 3.29Å
231E84.2Confident90.6Very high125 Ų12558.2 Ų58.258%0.58428%0.279SS*.BIsolated β-bridgetrans-61.5135.7178.4-64.7173.6171.400111.4V233E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.23Å
232D78.4Confident90.7Very high141 Ų14154.2 Ų54.275%0.75425%0.246SC*.THydrogen-bonded Turntrans56.729.4170.6-56.9-41.4000116.5
233V88.1Confident90.3Very high6 Ų656.3 Ų56.34%0.03626%0.257CS..  trans-87117.6173.5176.80000111.3W208 I230 E231 Q237 L270 E271W208-V233 HydrophobicContact CB-CG2 3.93Å; W208-V233 HydrophobicContact CD2-CG2 4.19Å; W208-V233 HydrophobicContact CE3-CG2 3.74Å; W208-V233 HydrophobicContact CG-CG2 4.28Å; I230-V233 HydrophobicContact CB-CG2 3.75Å; I230-V233 HydrophobicContact CG2-CG2 3.25Å; E231-V233 VanDerWaalsContact C-N 3.29Å; E231-V233 PolarHBondContact O-N 3.23Å; V233-Q237 HydrophobicContact CG1-CB 4.06Å; V233-L270 HydrophobicContact CB-CD1 4.43Å; V233-L270 HydrophobicContact CB-CD2 4.12Å; V233-L270 HydrophobicContact CG1-CD1 4.05Å; V233-E271 PolarHBondContact O-N 2.93Å
234K90.1Very high89.1Confident111 Ų11151.5 Ų51.548%0.48324%0.244SC..  trans-114.4-172.2171.3-56.8-174.3179.2-173.90110.5S236 Q237 L238 E271K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.41Å; K234-Q237 PolarHBondContact O-N 3.1Å; K234-Q237 PolarHBondContact O-OE1 3.37Å; K234-L238 PolarHBondContact O-N 3.32Å; K234-E271 VanDerWaalsContact CE-OE2 3.32Å; K234-E271 WeakPolarHBondContact CE-OE2 3.5Å; K234-E271 IonicContact NZ-OE2 4Å
235D89.6Confident87.8Confident36 Ų3653.5 Ų53.519%0.19326%0.259CS..Hα-helixtrans-61.2-32.5-178-65.5-21.1000114.6R239 L272 T273 S276D235-R239 WeakPolarHBondContact O-CB 3.27Å; D235-R239 PolarHBondContact O-N 2.82Å; D235-L272 WeakPolarHBondContact OD1-CA 3.25Å; D235-T273 PolarHBondContact OD1-N 3.24Å; D235-T273 WeakPolarHBondContact OD2-CB 3.44Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.35Å; D235-T273 PolarHBondContact OD2-OG1 3Å; D235-S276 VanDerWaalsContact CA-OG 3.29Å; D235-S276 WeakPolarHBondContact CA-OG 3.11Å; D235-S276 WeakPolarHBondContact CB-OG 3.23Å; D235-S276 VanDerWaalsContact OD1-CB 3.3Å; D235-S276 WeakPolarHBondContact OD1-CB 3.37Å; D235-S276 PolarHBondContact OD1-OG 3.21Å
236S90Very high86.1Confident73 Ų7359.4 Ų59.451%0.5130%0.297SS..Hα-helixtrans-66.7-40.3179.851.90000112K234 R239 E240K234-S236 VanDerWaalsContact C-N 3.3Å; K234-S236 PolarHBondContact O-N 3.41Å; S236-R239 WeakPolarHBondContact O-CB 3.3Å; S236-R239 PolarHBondContact O-N 3.23Å; S236-E240 PolarHBondContact O-N 2.66Å
237Q91Very high84.2Confident45 Ų4566.9 Ų66.921%0.2134%0.337CS..Hα-helixtrans-67-46.7176.1-73.479.925.600111.2W208 V233 K234 R239 E240 L241W208-Q237 VanDerWaalsContact CD1-CG 3.49Å; W208-Q237 HydrophobicContact CD2-CB 3.69Å; W208-Q237 HydrophobicContact CD2-CG 3.68Å; W208-Q237 VanDerWaalsContact CE2-CB 3.42Å; W208-Q237 HydrophobicContact CE3-CB 4.01Å; W208-Q237 HydrophobicContact CE3-CG 4.48Å; W208-Q237 HydrophobicContact CG-CB 4.29Å; W208-Q237 HydrophobicContact CG-CG 3.78Å; W208-Q237 HydrophobicContact CH2-CB 3.86Å; W208-Q237 WeakPolarHBondContact CH2-O 3.37Å; W208-Q237 HydrophobicContact CZ2-CB 3.53Å; W208-Q237 HydrophobicContact CZ2-CG 3.94Å; W208-Q237 VanDerWaalsContact CZ2-O 3.27Å; W208-Q237 WeakPolarHBondContact CZ2-O 3.38Å; W208-Q237 HydrophobicContact CZ3-CB 4.09Å; V233-Q237 HydrophobicContact CG1-CB 4.06Å; K234-Q237 PolarHBondContact O-N 3.1Å; K234-Q237 PolarHBondContact O-OE1 3.37Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 3.18Å; Q237-E240 WeakPolarHBondContact O-CB 3.18Å; Q237-E240 PolarHBondContact O-N 3.26Å; Q237-E240 VanDerWaalsContact O-N 3.11Å; Q237-L241 PolarHBondContact O-N 3.27Å; Q237-L241 VanDerWaalsContact O-N 3.1Å
238L89.7Confident82.3Confident3 Ų369.3 Ų69.32%0.01635%0.352CS..Hα-helixtrans-62.5-37.4176.3-167.672.7000111.4K234 E240 L241 L242 L267 L272 L280K234-L238 PolarHBondContact O-N 3.32Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 3.29Å; L238-L241 HydrophobicContact CD1-CD2 4.36Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.16Å; L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD2-CD1 4Å; L238-L242 HydrophobicContact CG-CD1 3.79Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; L238-L267 HydrophobicContact CD1-CD2 4.18Å; L238-L272 HydrophobicContact CB-CD2 4.09Å; L238-L272 HydrophobicContact CD2-CD1 4.03Å; L238-L272 HydrophobicContact CD2-CD2 3.99Å; L238-L280 HydrophobicContact CD2-CD1 4.49Å; L238-L280 HydrophobicContact CD2-CG 4.37Å
239R89.1Confident80.4Confident134 Ų13473 Ų7351%0.50637%0.37SS..Hα-helixtrans-59.3-43.5173.3179.6179.5175.2101.22.6111.9D235 S236 Q237 L241 L242 L243 L279D235-R239 WeakPolarHBondContact O-CB 3.27Å; D235-R239 PolarHBondContact O-N 2.82Å; S236-R239 WeakPolarHBondContact O-CB 3.3Å; S236-R239 PolarHBondContact O-N 3.23Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 3.18Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.38Å; R239-L242 PolarHBondContact O-N 3.04Å; R239-L243 HydrophobicContact CG-CD1 3.42Å; R239-L243 VanDerWaalsContact CG-CD1 3.42Å; R239-L243 HydrophobicContact CG-CG 3.98Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.22Å; R239-L279 HydrophobicContact CB-CD1 3.65Å; R239-L279 HydrophobicContact CG-CD1 3.77Å
240E88.4Confident78.1Confident94 Ų9473.1 Ų73.144%0.43939%0.386SS..Hα-helixtrans-59.4-38.2174.5-171.8-169.8157.300112.1W208 S236 Q237 L238W208-E240 HydrophobicContact CZ2-CB 4.28Å; S236-E240 PolarHBondContact O-N 2.66Å; Q237-E240 WeakPolarHBondContact O-CB 3.18Å; Q237-E240 PolarHBondContact O-N 3.26Å; Q237-E240 VanDerWaalsContact O-N 3.11Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 3.29Å
241L88.4Confident76.2Confident1 Ų176 Ų761%0.00542%0.418CS..Hα-helixtrans-69.8-42.7179-177.860.9000113.2W208 L214 L225 L227 Q237 L238 R239 L259W208-L241 HydrophobicContact CH2-CB 4.07Å; L214-L241 HydrophobicContact CB-CD1 3.39Å; L214-L241 HydrophobicContact CD1-CD1 3.98Å; L214-L241 HydrophobicContact CG-CD1 4.35Å; L225-L241 HydrophobicContact CD2-CD2 4.37Å; L227-L241 HydrophobicContact CD1-CD2 3.63Å; Q237-L241 PolarHBondContact O-N 3.27Å; Q237-L241 VanDerWaalsContact O-N 3.1Å; L238-L241 HydrophobicContact CD1-CD2 4.36Å; L238-L241 WeakPolarHBondContact O-CB 3.47Å; L238-L241 PolarHBondContact O-N 3.37Å; L238-L241 VanDerWaalsContact O-N 3.16Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.38Å; L241-L259 HydrophobicContact CD2-CD1 4.43Å
242L84.9Confident74.7Confident0 Ų077.8 Ų77.80%043%0.426CS..Hα-helixtrans-81.8-35.9-170.9-67176000112.9L238 R239 L259 L279 L280 H283L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD2-CD1 4Å; L238-L242 HydrophobicContact CG-CD1 3.79Å; L238-L242 HydrophobicContact CG-CG 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.39Å; L238-L242 VanDerWaalsContact O-CG 3.27Å; L238-L242 WeakPolarHBondContact O-CG 3.29Å; L238-L242 PolarHBondContact O-N 3.2Å; R239-L242 PolarHBondContact O-N 3.04Å; L242-L259 HydrophobicContact CD2-CD1 3.56Å; L242-L259 HydrophobicContact CD2-CG 4.15Å; L242-L279 HydrophobicContact CD1-CB 3.78Å; L242-L280 HydrophobicContact CD1-CD2 3.64Å; L242-L280 HydrophobicContact CD1-CG 4.01Å; L242-L280 HydrophobicContact CD2-CD2 3.76Å; L242-L280 HydrophobicContact CG-CD2 4.32Å; L242-H283 HydrophobicContact CB-CB 4.27Å
243L81.6Confident73.2Confident48 Ų4873.5 Ų73.525%0.25141%0.405SS..SBendtrans-73.4145.7-179.5-68.9-179.2000111.4R239 R258 H283R239-L243 HydrophobicContact CG-CD1 3.42Å; R239-L243 VanDerWaalsContact CG-CD1 3.42Å; R239-L243 HydrophobicContact CG-CG 3.98Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 VanDerWaalsContact O-CG 3.28Å; R239-L243 WeakPolarHBondContact O-CG 3.5Å; R239-L243 PolarHBondContact O-N 3.22Å; L243-R258 VanDerWaalsContact O-CD 3.27Å; L243-R258 WeakPolarHBondContact O-CD 3.06Å; L243-H283 WeakPolarHBondContact CD2-NE2 3.32Å
244P70Confident71.1Confident41 Ų4180.1 Ų80.127%0.26644%0.436SS..PPolyproline II helixtrans-63.5148.916928.2-32.9000110.2
245P67.6Low69.2Low58 Ų5879.5 Ų79.538%0.37745%0.445SS..PPolyproline II helixtrans-61.1144.9175.824.5-32.1000110.9D247 T248P245-D247 PolarHBondContact O-N 3.29Å; P245-D247 VanDerWaalsContact O-N 3.12Å; P245-T248 PolarHBondContact O-N 3.13Å; P245-T248 PolarHBondContact O-OG1 3.41Å
246P60.4Low67.7Low124 Ų12486.7 Ų86.781%0.80547%0.47SS*.THydrogen-bonded Turntrans-65.7-16.8-171.826.3-35.3000114.5T248P246-T248 VanDerWaalsContact C-N 3.29Å; P246-T248 PolarHBondContact O-N 2.94Å
247D56.7Low66.5Low156 Ų15683.5 Ų83.583%0.83445%0.448SS*.THydrogen-bonded Turntrans-82.31.6-175.6-69.4-30.8000114.5P245 K249P245-D247 PolarHBondContact O-N 3.29Å; P245-D247 VanDerWaalsContact O-N 3.12Å; D247-K249 PolarHBondContact O-N 3.03Å
248T56.7Low65.7Low54 Ų5483.7 Ų83.733%0.33145%0.447SS..SBendtrans-74.8120.1171.249.30000109.9P245 P246 T253P245-T248 PolarHBondContact O-N 3.13Å; P245-T248 PolarHBondContact O-OG1 3.41Å; P246-T248 VanDerWaalsContact C-N 3.29Å; P246-T248 PolarHBondContact O-N 2.94Å; T248-T253 WeakPolarHBondContact CB-OG1 3.14Å; T248-T253 VanDerWaalsContact CG2-OG1 3.24Å; T248-T253 WeakPolarHBondContact CG2-OG1 3.41Å; T248-T253 PolarHBondContact OG1-OG1 2.93Å
249K54.9Low65.3Low157 Ų15783.7 Ų83.768%0.68345%0.447SS*.  trans-44.3133.1178.3-64.9178.4-179.3178.20110.9D247 G251 Q252D247-K249 PolarHBondContact O-N 3.03Å; K249-G251 PolarHBondContact O-N 3.19Å; K249-Q252 PolarHBondContact O-N 3.13Å; K249-Q252 VanDerWaalsContact O-N 3.11Å
250P47.9Very low64.7Low121 Ų12180.1 Ų80.179%0.78644%0.436SS*.THydrogen-bonded Turntrans-59.7106.7175.624.1-31.6000108
251G52.9Low64.5Low68 Ų6877.6 Ų77.670%0.70144%0.435SS*.THydrogen-bonded Turntrans130.8-13.4-174.800000116.6K249K249-G251 PolarHBondContact O-N 3.19Å
252Q51.5Low64.6Low162 Ų16277.7 Ų77.776%0.75744%0.436SS*.SBendtrans-110.8-14.8-177.7-121173.19.100116.4K249K249-Q252 PolarHBondContact O-N 3.13Å; K249-Q252 VanDerWaalsContact O-N 3.11Å
253T48Very low65Low51 Ų5179 Ų7931%0.31345%0.447SS..  trans-153.636.4-179.141.40000114.1T248 S255T248-T253 WeakPolarHBondContact CB-OG1 3.14Å; T248-T253 VanDerWaalsContact CG2-OG1 3.24Å; T248-T253 WeakPolarHBondContact CG2-OG1 3.41Å; T248-T253 PolarHBondContact OG1-OG1 2.93Å; T253-S255 PolarHBondContact O-N 3.3Å
254E44.6Very low65.7Low146 Ų14679.4 Ų79.468%0.68245%0.447SS*.THydrogen-bonded Turntrans-65.90.5-178.4-70.1-68.7149.500115
255S49.1Very low66.9Low97 Ų9777.5 Ų77.568%0.67844%0.435SS*.THydrogen-bonded Turntrans-147.73.9-172.7-63.30000116.6T253 Q260T253-S255 PolarHBondContact O-N 3.3Å; S255-Q260 PolarHBondContact O-NE2 3.16Å
256R58.1Low68.4Low188 Ų18877.6 Ų77.671%0.70943%0.428SS*.  trans-111.797.3-177.6-62.4-167.9-178.5168.80.6112.1
257G64.7Low70Confident6 Ų671.7 Ų71.76%0.06239%0.39CS..  trans-57.7153.5171.100000111.9L259 Q260G257-L259 PolarHBondContact O-N 2.96Å; G257-Q260 WeakPolarHBondContact O-CG 3.39Å; G257-Q260 PolarHBondContact O-N 3.06Å
258R75.5Confident71.9Confident49 Ų4964.3 Ų64.319%0.18535%0.35CS..THydrogen-bonded Turntrans-73-18-172.3-55.4-17566.2-105.5-1.9113.3L214 G215 A217 L219 L243L214-R258 VanDerWaalsContact C-NH1 3.29Å; L214-R258 PolarHBondContact O-NH1 3.29Å; L214-R258 PolarHBondContact O-NH2 2.84Å; G215-R258 PolarHBondContact O-NE 3.1Å; G215-R258 PolarHBondContact O-NH2 3.33Å; A217-R258 PolarHBondContact O-NH2 3.18Å; L219-R258 HydrophobicContact CD1-CB 4.07Å; L243-R258 VanDerWaalsContact O-CD 3.27Å; L243-R258 WeakPolarHBondContact O-CD 3.06Å
259L79.8Confident73.6Confident2 Ų262.7 Ų62.71%0.0134%0.344CS..THydrogen-bonded Turntrans-107.525-177.6-56.1-172.3000113.1L219 L225 L241 L242 G257 G261 V262 A284L219-L259 HydrophobicContact CD1-CD2 3.77Å; L225-L259 HydrophobicContact CD2-CD1 4.07Å; L225-L259 HydrophobicContact CD2-CD2 4.03Å; L241-L259 HydrophobicContact CD2-CD1 4.43Å; L242-L259 HydrophobicContact CD2-CD1 3.56Å; L242-L259 HydrophobicContact CD2-CG 4.15Å; G257-L259 PolarHBondContact O-N 2.96Å; L259-G261 PolarHBondContact O-N 3.35Å; L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CB-CG2 3.72Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 HydrophobicContact CG-CG2 4.31Å; L259-V262 WeakPolarHBondContact O-CB 3.17Å; L259-V262 PolarHBondContact O-N 3.21Å; L259-A284 HydrophobicContact CB-CB 4.49Å
260Q77.5Confident75.4Confident59 Ų5955.5 Ų55.528%0.27631%0.313SS..THydrogen-bonded Turntrans-60.7-28.7-175.9-85.1-170.3-16.900115.2S255 G257 Q286S255-Q260 PolarHBondContact O-NE2 3.16Å; G257-Q260 WeakPolarHBondContact O-CG 3.39Å; G257-Q260 PolarHBondContact O-N 3.06Å; Q260-Q286 WeakPolarHBondContact O-CB 3.33Å; Q260-Q286 WeakPolarHBondContact O-CG 3.43Å
261G82.9Confident77.4Confident42 Ų4254.6 Ų54.643%0.43330%0.299SS..THydrogen-bonded Turntrans-89.6-2.217700000114.6L222 L259 A263L222-G261 CarbonylContact O-C 3.56Å; L222-G261 VanDerWaalsContact O-O 3.06Å; L259-G261 PolarHBondContact O-N 3.35Å; G261-A263 PolarHBondContact O-N 2.86Å
262V90.9Very high79.2Confident2 Ų251.4 Ų51.41%0.01227%0.265CS..  trans-75.6118.3-176.8179.80000109.3L222 L225 L259 E264 L265 L287L222-V262 HydrophobicContact CB-CG2 4.23Å; L222-V262 WeakPolarHBondContact O-CA 3.46Å; L222-V262 WeakPolarHBondContact O-CG2 3.23Å; L222-V262 PolarHBondContact O-N 2.68Å; L225-V262 HydrophobicContact CB-CG1 4.44Å; L259-V262 HydrophobicContact CB-CB 4.2Å; L259-V262 HydrophobicContact CB-CG2 3.72Å; L259-V262 HydrophobicContact CD2-CG2 3.95Å; L259-V262 HydrophobicContact CG-CG2 4.31Å; L259-V262 WeakPolarHBondContact O-CB 3.17Å; L259-V262 PolarHBondContact O-N 3.21Å; V262-E264 WeakPolarHBondContact CG1-O 3.47Å; V262-L265 HydrophobicContact CG1-CB 4.26Å; V262-L287 HydrophobicContact CG1-CD1 4.2Å
263A93.8Very high81.2Confident28 Ų2846.1 Ų46.123%0.23124%0.244CC..SBendtrans-93.7-26.9177.700000112R223 G261 S288 A289R223-A263 CarbonylContact O-C 3.41Å; R223-A263 PolarHBondContact O-N 3.3Å; G261-A263 PolarHBondContact O-N 2.86Å; A263-S288 CarbonylContact O-C 3.58Å; A263-S288 WeakPolarHBondContact O-CA 3.37Å; A263-S288 PolarHBondContact O-N 3Å; A263-S288 PolarHBondContact O-OG 2.94Å; A263-A289 PolarHBondContact O-N 3.12Å
264E96.4Very high83.2Confident56 Ų5645.7 Ų45.726%0.26224%0.24SC..EExtended strand (participates in β ladder)trans-131.6124178.9-177.7167.6174.600111.2R223 L224 L225 V262 R266 A289R223-E264 PolarHBondContact O-N 3.44Å; L224-E264 VanDerWaalsContact CA-O 3.31Å; L224-E264 WeakPolarHBondContact CA-O 3.47Å; L224-E264 HydrophobicContact CB-CB 4.26Å; L224-E264 HydrophobicContact CD1-CB 4.36Å; L224-E264 HydrophobicContact CD1-CG 4.14Å; L224-E264 WeakPolarHBondContact CD1-OE2 3.41Å; L224-E264 HydrophobicContact CG-CB 4.06Å; L224-E264 HydrophobicContact CG-CG 4.04Å; L225-E264 PolarHBondContact N-O 2.85Å; V262-E264 WeakPolarHBondContact CG1-O 3.47Å; E264-R266 HydrophobicContact CG-CG 4.42Å; E264-R266 IonicContact OE1-CZ 2.97Å; E264-R266 IonicContact OE1-NE 3.55Å; E264-R266 PolarHBondContact OE1-NE 3.01Å; E264-R266 IonicContact OE1-NH2 3.94Å; E264-R266 PolarHBondContact OE1-NH2 2.96Å; E264-A289 VanDerWaalsContact CA-O 3.31Å; E264-A289 WeakPolarHBondContact CA-O 3.34Å; E264-A289 HydrophobicContact CB-CB 3.88Å; E264-A289 HydrophobicContact CG-CB 3.66Å
265L95.9Very high85.4Confident1 Ų141.1 Ų41.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-130.3123.3-179.3-177.263.3000109.1L225 V262 L267 L280 L287 A289 L290 D291L225-L265 HydrophobicContact CB-CD1 3.99Å; L225-L265 HydrophobicContact CD2-CD1 4.07Å; L225-L265 HydrophobicContact CG-CD1 4.15Å; L225-L265 WeakPolarHBondContact O-CA 3.12Å; V262-L265 HydrophobicContact CG1-CB 4.26Å; L265-L267 HydrophobicContact CD1-CD2 4.07Å; L265-L267 HydrophobicContact CD1-CG 4.42Å; L265-L267 HydrophobicContact CD2-CD1 3.83Å; L265-L267 HydrophobicContact CD2-CD2 4.37Å; L265-L267 HydrophobicContact CD2-CG 4.19Å; L265-L267 HydrophobicContact CG-CD1 4.1Å; L265-L267 HydrophobicContact CG-CD2 4.09Å; L265-L267 HydrophobicContact CG-CG 3.9Å; L265-L280 HydrophobicContact CD2-CD1 4.4Å; L265-L280 HydrophobicContact CD2-CD2 3.48Å; L265-L280 VanDerWaalsContact CD2-CD2 3.48Å; L265-L287 HydrophobicContact CB-CD1 3.5Å; L265-L287 VanDerWaalsContact CB-CD1 3.5Å; L265-L287 HydrophobicContact CB-CD2 4.23Å; L265-A289 PolarHBondContact N-O 3.26Å; L265-L290 WeakPolarHBondContact O-CA 3.07Å; L265-D291 PolarHBondContact O-N 3.33Å
266R97.1Very high87.4Confident61 Ų6136.5 Ų36.523%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-115.2119.9178.9-51.6179.5-176.6154.6-3.8110.7L225 D226 L227 R228 E264 D291L225-R266 PolarHBondContact O-N 2.89Å; D226-R266 HydrophobicContact CB-CB 4.25Å; D226-R266 VanDerWaalsContact OD2-CD 3.31Å; D226-R266 WeakPolarHBondContact OD2-CD 3.37Å; D226-R266 IonicContact OD2-CZ 2.64Å; D226-R266 IonicContact OD2-NH1 2.69Å; D226-R266 PolarHBondContact OD2-NH1 2.82Å; L227-R266 CarbonylContact C-O 3.56Å; L227-R266 WeakPolarHBondContact CA-O 3.42Å; L227-R266 PolarHBondContact N-O 2.8Å; R228-R266 HydrophobicContact CG-CB 3.75Å; E264-R266 HydrophobicContact CG-CG 4.42Å; E264-R266 IonicContact OE1-CZ 2.97Å; E264-R266 IonicContact OE1-NE 3.55Å; E264-R266 PolarHBondContact OE1-NE 3.01Å; E264-R266 IonicContact OE1-NH2 3.94Å; E264-R266 PolarHBondContact OE1-NH2 2.96Å; R266-D291 HydrophobicContact CB-CB 3.97Å; R266-D291 HydrophobicContact CG-CB 3.93Å
267L95.7Very high89Confident0 Ų027.6 Ų27.60%016%0.161CC..  trans-128.224.6-173.5-58.9174.4000110.9L227 L238 L265 L270 L272 L280 D291 L292 C295L227-L267 HydrophobicContact CB-CD2 4.11Å; L227-L267 HydrophobicContact CD1-CD2 4.01Å; L227-L267 HydrophobicContact CG-CD2 4.5Å; L238-L267 HydrophobicContact CD1-CD2 4.18Å; L265-L267 HydrophobicContact CD1-CD2 4.07Å; L265-L267 HydrophobicContact CD1-CG 4.42Å; L265-L267 HydrophobicContact CD2-CD1 3.83Å; L265-L267 HydrophobicContact CD2-CD2 4.37Å; L265-L267 HydrophobicContact CD2-CG 4.19Å; L265-L267 HydrophobicContact CG-CD1 4.1Å; L265-L267 HydrophobicContact CG-CD2 4.09Å; L265-L267 HydrophobicContact CG-CG 3.9Å; L267-L270 HydrophobicContact CB-CD1 4Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 VanDerWaalsContact O-CG 3.29Å; L267-L270 WeakPolarHBondContact O-CG 3.48Å; L267-L272 HydrophobicContact CB-CD1 3.92Å; L267-L272 HydrophobicContact CD1-CD1 3.75Å; L267-L272 HydrophobicContact CG-CD1 4.3Å; L267-L280 HydrophobicContact CD1-CD1 3.79Å; L267-D291 CarbonylContact C-O 3.21Å; L267-D291 WeakPolarHBondContact CA-O 3.34Å; L267-D291 PolarHBondContact N-O 3.29Å; L267-L292 HydrophobicContact CB-CD2 4.13Å; L267-L292 HydrophobicContact CD1-CD2 4.15Å; L267-C295 PolarHBondContact O-SG 3.49Å
268A95.3Very high90.3Very high1 Ų133.9 Ų33.91%0.00818%0.183CC..THydrogen-bonded Turntrans-60.1141.5-176.400000112.2R228 W229 L270 S293R228-A268 CarbonylContact C-O 3.56Å; R228-A268 WeakPolarHBondContact CA-O 3.33Å; R228-A268 HydrophobicContact CB-CB 4.13Å; R228-A268 HydrophobicContact CG-CB 3.6Å; W229-A268 PolarHBondContact N-O 3.34Å; A268-L270 VanDerWaalsContact C-N 3.28Å; A268-L270 PolarHBondContact O-N 3.25Å; A268-S293 CarbonylContact C-O 3.57Å; A268-S293 WeakPolarHBondContact CA-O 3.23Å; A268-S293 VanDerWaalsContact CB-O 3.32Å; A268-S293 WeakPolarHBondContact CB-O 3.45Å; A268-S293 WeakPolarHBondContact CB-OG 3.37Å
269G92.1Very high90.9Very high20 Ų2032.5 Ų32.521%0.20618%0.179CC..THydrogen-bonded Turntrans71.917.1175.800000115S293G269-S293 PolarHBondContact N-O 3.27Å
270L93.4Very high91.4Very high5 Ų532.4 Ų32.43%0.02618%0.179CC..  trans-96.7152.5175.9-55.9-172.7000111.3I230 V233 L267 A268 L272 C295I230-L270 HydrophobicContact CB-CD2 4.08Å; I230-L270 WeakPolarHBondContact O-CD2 3.29Å; V233-L270 HydrophobicContact CB-CD1 4.43Å; V233-L270 HydrophobicContact CB-CD2 4.12Å; V233-L270 HydrophobicContact CG1-CD1 4.05Å; L267-L270 HydrophobicContact CB-CD1 4Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 VanDerWaalsContact O-CG 3.29Å; L267-L270 WeakPolarHBondContact O-CG 3.48Å; A268-L270 VanDerWaalsContact C-N 3.28Å; A268-L270 PolarHBondContact O-N 3.25Å; L270-L272 HydrophobicContact CB-CD1 4.09Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.77Å; L270-L272 HydrophobicContact CD1-CD1 4.19Å; L270-L272 PolarHBondContact O-N 2.93Å; L270-C295 PolarHBondContact O-SG 2.95Å
271E90.2Very high91.9Very high103 Ų10330.9 Ų30.948%0.48117%0.172SC..  trans-86.158.1178.3-64.2-170.3162.300111.8V233 K234V233-E271 PolarHBondContact O-N 2.93Å; K234-E271 VanDerWaalsContact CE-OE2 3.32Å; K234-E271 WeakPolarHBondContact CE-OE2 3.5Å; K234-E271 IonicContact NZ-OE2 4Å
272L91.5Very high92.1Very high0 Ų037.9 Ų37.90%019%0.186CC..  trans-93.2137.9-176.2-58.5178000112.5D235 L238 L267 L270 H297D235-L272 WeakPolarHBondContact OD1-CA 3.25Å; L238-L272 HydrophobicContact CB-CD2 4.09Å; L238-L272 HydrophobicContact CD2-CD1 4.03Å; L238-L272 HydrophobicContact CD2-CD2 3.99Å; L267-L272 HydrophobicContact CB-CD1 3.92Å; L267-L272 HydrophobicContact CD1-CD1 3.75Å; L267-L272 HydrophobicContact CG-CD1 4.3Å; L270-L272 HydrophobicContact CB-CD1 4.09Å; L270-L272 HydrophobicContact CB-CD2 4.4Å; L270-L272 HydrophobicContact CB-CG 3.77Å; L270-L272 HydrophobicContact CD1-CD1 4.19Å; L270-L272 PolarHBondContact O-N 2.93Å; L272-H297 WeakPolarHBondContact O-CB 3.13Å
273T92.1Very high91.9Very high51 Ų5139 Ų3931%0.31319%0.191SC..  trans-105.2179.4174.283.70000112.7D235 A275 S276 L277 H297D235-T273 PolarHBondContact OD1-N 3.24Å; D235-T273 WeakPolarHBondContact OD2-CB 3.44Å; D235-T273 WeakPolarHBondContact OD2-CG2 3.35Å; D235-T273 PolarHBondContact OD2-OG1 3Å; T273-A275 PolarHBondContact O-N 3.48Å; T273-A275 VanDerWaalsContact O-N 3.11Å; T273-A275 PolarHBondContact OG1-N 3.43Å; T273-S276 WeakPolarHBondContact O-CB 3.18Å; T273-S276 PolarHBondContact O-N 2.8Å; T273-S276 VanDerWaalsContact O-N 3.08Å; T273-L277 PolarHBondContact O-N 3.01Å; T273-H297 HydrophobicContact CG2-CB 4.25Å
274D90.5Very high91.6Very high42 Ų4237.8 Ų37.823%0.22518%0.181CC..Hα-helixtrans-54.7-26.6173.1-67.6-21.9000113.7L277 R278 S302 L305D274-L277 PolarHBondContact O-N 2.64Å; D274-R278 VanDerWaalsContact O-CG 3.32Å; D274-R278 WeakPolarHBondContact O-CG 3.15Å; D274-R278 PolarHBondContact O-N 2.83Å; D274-S302 VanDerWaalsContact OD1-CA 3.3Å; D274-S302 WeakPolarHBondContact OD1-CA 3.22Å; D274-S302 VanDerWaalsContact OD1-CB 3.3Å; D274-S302 WeakPolarHBondContact OD1-CB 3.08Å; D274-S302 PolarHBondContact OD1-N 2.65Å; D274-S302 PolarHBondContact OD1-OG 2.83Å; D274-L305 HydrophobicContact CB-CD1 3.76Å
275A90.8Very high91.1Very high51 Ų5137.1 Ų37.142%0.42118%0.181SC..Hα-helixtrans-62.5-44.8176.400000111.5T273 R278 L279T273-A275 PolarHBondContact O-N 3.48Å; T273-A275 VanDerWaalsContact O-N 3.11Å; T273-A275 PolarHBondContact OG1-N 3.43Å; A275-R278 PolarHBondContact O-N 3.2Å; A275-L279 PolarHBondContact O-N 3.05Å
276S91.8Very high90.7Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-62.5-42.9174.9-83.10000112.5D235 T273 R278 L279 L280D235-S276 VanDerWaalsContact CA-OG 3.29Å; D235-S276 WeakPolarHBondContact CA-OG 3.11Å; D235-S276 WeakPolarHBondContact CB-OG 3.23Å; D235-S276 VanDerWaalsContact OD1-CB 3.3Å; D235-S276 WeakPolarHBondContact OD1-CB 3.37Å; D235-S276 PolarHBondContact OD1-OG 3.21Å; T273-S276 WeakPolarHBondContact O-CB 3.18Å; T273-S276 PolarHBondContact O-N 2.8Å; T273-S276 VanDerWaalsContact O-N 3.08Å; S276-R278 VanDerWaalsContact C-N 3.35Å; S276-R278 PolarHBondContact O-N 3.44Å; S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 3.3Å; S276-L279 VanDerWaalsContact O-N 3.13Å; S276-L280 PolarHBondContact O-N 2.97Å
277L91.8Very high90.5Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-63.8-40.2178-61.9-179000111.8T273 D274 L279 L280 L281 L292 S302T273-L277 PolarHBondContact O-N 3.01Å; D274-L277 PolarHBondContact O-N 2.64Å; L277-L279 PolarHBondContact O-N 2.94Å; L277-L280 HydrophobicContact CD2-CD1 3.91Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.14Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L277-L281 WeakPolarHBondContact O-CG 3.2Å; L277-L281 PolarHBondContact O-N 2.86Å; L277-L292 HydrophobicContact CD2-CD1 3.78Å; L277-L292 HydrophobicContact CD2-CD2 4.05Å; L277-S302 VanDerWaalsContact CD1-CB 3.42Å
278R90.9Very high90.4Very high139 Ų13941.9 Ų41.953%0.52521%0.21SC..Hα-helixtrans-59.8-35.2174-71.4173.4-166.7-985.1112.4D274 A275 S276 R282 L305D274-R278 VanDerWaalsContact O-CG 3.32Å; D274-R278 WeakPolarHBondContact O-CG 3.15Å; D274-R278 PolarHBondContact O-N 2.83Å; A275-R278 PolarHBondContact O-N 3.2Å; S276-R278 VanDerWaalsContact C-N 3.35Å; S276-R278 PolarHBondContact O-N 3.44Å; R278-R282 WeakPolarHBondContact O-CG 3.47Å; R278-R282 PolarHBondContact O-N 2.94Å; R278-L305 HydrophobicContact CG-CD1 4.12Å; R278-L305 HydrophobicContact CG-CD2 4.38Å
279L89.1Confident90.4Very high19 Ų1942.1 Ų42.110%0.09921%0.212CC..Hα-helixtrans-69.8-40.6174.3-65.9173.5000111.5R239 L242 A275 S276 L277 L281 R282 H283R239-L279 HydrophobicContact CB-CD1 3.65Å; R239-L279 HydrophobicContact CG-CD1 3.77Å; L242-L279 HydrophobicContact CD1-CB 3.78Å; A275-L279 PolarHBondContact O-N 3.05Å; S276-L279 WeakPolarHBondContact O-CB 3.32Å; S276-L279 PolarHBondContact O-N 3.3Å; S276-L279 VanDerWaalsContact O-N 3.13Å; L277-L279 PolarHBondContact O-N 2.94Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.24Å; L279-R282 PolarHBondContact O-N 2.78Å; L279-R282 VanDerWaalsContact O-N 3.11Å; L279-H283 PolarHBondContact O-CD2 3.18Å; L279-H283 VanDerWaalsContact O-CD2 3.28Å; L279-H283 PolarHBondContact O-N 3.04Å
280L89.6Confident90.6Very high1 Ų141.3 Ų41.31%0.00520%0.203CC..Hα-helixtrans-58.6-43.8174.9-70.6174.2000111.9L238 L242 L265 L267 S276 L277 R282 H283 A284L238-L280 HydrophobicContact CD2-CD1 4.49Å; L238-L280 HydrophobicContact CD2-CG 4.37Å; L242-L280 HydrophobicContact CD1-CD2 3.64Å; L242-L280 HydrophobicContact CD1-CG 4.01Å; L242-L280 HydrophobicContact CD2-CD2 3.76Å; L242-L280 HydrophobicContact CG-CD2 4.32Å; L265-L280 HydrophobicContact CD2-CD1 4.4Å; L265-L280 HydrophobicContact CD2-CD2 3.48Å; L265-L280 VanDerWaalsContact CD2-CD2 3.48Å; L267-L280 HydrophobicContact CD1-CD1 3.79Å; S276-L280 PolarHBondContact O-N 2.97Å; L277-L280 HydrophobicContact CD2-CD1 3.91Å; L277-L280 WeakPolarHBondContact O-CB 3.26Å; L277-L280 PolarHBondContact O-N 3.14Å; L277-L280 VanDerWaalsContact O-N 3.1Å; L280-R282 PolarHBondContact O-N 2.9Å; L280-H283 PolarHBondContact O-N 3.22Å; L280-A284 PolarHBondContact O-N 3.4Å
281L88.7Confident90.8Very high26 Ų2642 Ų4214%0.13621%0.206CC..Hα-helixtrans-57.2-32.4176.6-65.1-176.7000112.8L277 L279 L306 S311 P312 L313L277-L281 WeakPolarHBondContact O-CG 3.2Å; L277-L281 PolarHBondContact O-N 2.86Å; L279-L281 VanDerWaalsContact C-N 3.32Å; L279-L281 PolarHBondContact O-N 3.24Å; L281-L306 HydrophobicContact CD2-CD2 4.16Å; L281-S311 WeakPolarHBondContact CD2-OG 3.43Å; L281-P312 VanDerWaalsContact O-CG 3.22Å; L281-P312 WeakPolarHBondContact O-CG 3.27Å; L281-L313 HydrophobicContact CD2-CB 4.13Å; L281-L313 HydrophobicContact CD2-CD1 3.48Å; L281-L313 VanDerWaalsContact CD2-CD1 3.48Å; L281-L313 HydrophobicContact CD2-CG 3.54Å
282R87.3Confident91Very high189 Ų18937 Ų3771%0.71318%0.183SC*.Hα-helixtrans-84.7-36.9-179.7-67.6178.6177.1-167.2-1.4113.1R278 L279 L280R278-R282 WeakPolarHBondContact O-CG 3.47Å; R278-R282 PolarHBondContact O-N 2.94Å; L279-R282 PolarHBondContact O-N 2.78Å; L279-R282 VanDerWaalsContact O-N 3.11Å; L280-R282 PolarHBondContact O-N 2.9Å
283H86.1Confident91.2Very high27 Ų2737.5 Ų37.513%0.12519%0.187CC..Hα-helixtrans-109.6-8.6-166.6-64.6-66.4000114.9L242 L243 L279 L280L242-H283 HydrophobicContact CB-CB 4.27Å; L243-H283 WeakPolarHBondContact CD2-NE2 3.32Å; L279-H283 PolarHBondContact O-CD2 3.18Å; L279-H283 VanDerWaalsContact O-CD2 3.28Å; L279-H283 PolarHBondContact O-N 3.04Å; L280-H283 PolarHBondContact O-N 3.22Å
284A86.9Confident91.3Very high2 Ų239.8 Ų39.82%0.01719%0.193CC..  trans-134.360.7176.100000112.1L259 L280 Q286 L287L259-A284 HydrophobicContact CB-CB 4.49Å; L280-A284 PolarHBondContact O-N 3.4Å; A284-Q286 VanDerWaalsContact C-N 3.27Å; A284-Q286 PolarHBondContact O-N 2.52Å; A284-L287 PolarHBondContact O-N 2.82Å
285P86.3Confident91.5Very high41 Ų4137.8 Ų37.827%0.26618%0.183SC..THydrogen-bonded Turntrans-71.6-15.6-173.630.3-37000114.4L287 P312P285-L287 VanDerWaalsContact C-N 3.32Å; P285-P312 HydrophobicContact CB-CB 4.01Å; P285-P312 HydrophobicContact CB-CG 4.08Å
286Q87.1Confident91.3Very high126 Ų12637 Ų3759%0.58918%0.177SC*.THydrogen-bonded Turntrans-91.69.6-179.8-61-159.5-16.700113.6Q260 A284 S288Q260-Q286 WeakPolarHBondContact O-CB 3.33Å; Q260-Q286 WeakPolarHBondContact O-CG 3.43Å; A284-Q286 VanDerWaalsContact C-N 3.27Å; A284-Q286 PolarHBondContact O-N 2.52Å; Q286-S288 PolarHBondContact O-N 3.31Å
287L92.6Very high91.3Very high0 Ų040.6 Ų40.60%019%0.193CC..  trans-67.1125.9-174.8-163.674.6000111V262 L265 A284 P285 L290 L313 T316V262-L287 HydrophobicContact CG1-CD1 4.2Å; L265-L287 HydrophobicContact CB-CD1 3.5Å; L265-L287 VanDerWaalsContact CB-CD1 3.5Å; L265-L287 HydrophobicContact CB-CD2 4.23Å; A284-L287 PolarHBondContact O-N 2.82Å; P285-L287 VanDerWaalsContact C-N 3.32Å; L287-L290 HydrophobicContact CD2-CB 3.72Å; L287-L290 HydrophobicContact CD2-CD1 3.81Å; L287-L290 HydrophobicContact CD2-CD2 4.19Å; L287-L290 HydrophobicContact CD2-CG 4.09Å; L287-L313 HydrophobicContact CB-CD2 3.63Å; L287-L313 HydrophobicContact CD2-CD1 4.45Å; L287-T316 VanDerWaalsContact O-CB 3.29Å; L287-T316 WeakPolarHBondContact O-CB 3.12Å; L287-T316 PolarHBondContact O-OG1 3.3Å
288S94.3Very high91.4Very high36 Ų3640.6 Ų40.625%0.25219%0.193SC..  trans-110.7-25.8179.168.40000113A263 Q286 T316 V318 H319A263-S288 CarbonylContact O-C 3.58Å; A263-S288 WeakPolarHBondContact O-CA 3.37Å; A263-S288 PolarHBondContact O-N 3Å; A263-S288 PolarHBondContact O-OG 2.94Å; Q286-S288 PolarHBondContact O-N 3.31Å; S288-T316 WeakPolarHBondContact CA-O 3.46Å; S288-V318 WeakPolarHBondContact O-CA 3.32Å; S288-V318 PolarHBondContact O-N 3.46Å; S288-H319 PolarHBondContact O-N 3.28Å
289A96.3Very high91.4Very high6 Ų634.2 Ų34.25%0.0517%0.17CC..EExtended strand (participates in β ladder)trans-130.2123.3177.900000109.8A263 E264 L265 H319A263-A289 PolarHBondContact O-N 3.12Å; E264-A289 VanDerWaalsContact CA-O 3.31Å; E264-A289 WeakPolarHBondContact CA-O 3.34Å; E264-A289 HydrophobicContact CB-CB 3.88Å; E264-A289 HydrophobicContact CG-CB 3.66Å; L265-A289 PolarHBondContact N-O 3.26Å; A289-H319 CarbonylContact C-O 3.59Å; A289-H319 VanDerWaalsContact CA-O 3.3Å; A289-H319 WeakPolarHBondContact CA-O 3.31Å; A289-H319 HydrophobicContact CB-CB 3.89Å
290L96.2Very high91.6Very high4 Ų434.8 Ų34.82%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-129124.6-179.5179.256.7000109.7L265 L287 L292 L306 L317 H319 L320 N321L265-L290 WeakPolarHBondContact O-CA 3.07Å; L287-L290 HydrophobicContact CD2-CB 3.72Å; L287-L290 HydrophobicContact CD2-CD1 3.81Å; L287-L290 HydrophobicContact CD2-CD2 4.19Å; L287-L290 HydrophobicContact CD2-CG 4.09Å; L290-L292 HydrophobicContact CD1-CD1 4.48Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L290-L292 HydrophobicContact CD1-CG 4.01Å; L290-L292 HydrophobicContact CD2-CD1 3.8Å; L290-L292 HydrophobicContact CD2-CG 4.19Å; L290-L292 HydrophobicContact CG-CD1 4.07Å; L290-L292 HydrophobicContact CG-CG 3.92Å; L290-L306 HydrophobicContact CD2-CD1 4.24Å; L290-L306 HydrophobicContact CD2-CD2 4.08Å; L290-L317 HydrophobicContact CB-CD1 4.29Å; L290-L317 HydrophobicContact CD2-CD1 4.49Å; L290-H319 PolarHBondContact N-O 3.42Å; L290-L320 HydrophobicContact CB-CD1 4.07Å; L290-L320 HydrophobicContact CD2-CD1 4.27Å; L290-L320 HydrophobicContact CG-CD1 4.24Å; L290-L320 WeakPolarHBondContact O-CA 3.08Å; L290-N321 PolarHBondContact O-N 2.82Å
291D96.6Very high91.8Very high18 Ų1838.5 Ų38.510%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-113.2112.9173.3-177.94.1000110.1L265 R266 L267 S293 N321L265-D291 PolarHBondContact O-N 3.33Å; R266-D291 HydrophobicContact CB-CB 3.97Å; R266-D291 HydrophobicContact CG-CB 3.93Å; L267-D291 CarbonylContact C-O 3.21Å; L267-D291 WeakPolarHBondContact CA-O 3.34Å; L267-D291 PolarHBondContact N-O 3.29Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.36Å; D291-S293 PolarHBondContact OD1-N 3.44Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; D291-N321 HydrophobicContact CB-CB 4.12Å; D291-N321 PolarHBondContact OD1-ND2 3.23Å; D291-N321 VanDerWaalsContact OD1-ND2 3.08Å
292L95.3Very high92Very high0 Ų037.3 Ų37.30%019%0.192CC..  trans-119.122.7176-66.9170.5000110.5L267 L277 L290 C295 V298 L306 N321 L322 C325L267-L292 HydrophobicContact CB-CD2 4.13Å; L267-L292 HydrophobicContact CD1-CD2 4.15Å; L277-L292 HydrophobicContact CD2-CD1 3.78Å; L277-L292 HydrophobicContact CD2-CD2 4.05Å; L290-L292 HydrophobicContact CD1-CD1 4.48Å; L290-L292 HydrophobicContact CD1-CD2 4.22Å; L290-L292 HydrophobicContact CD1-CG 4.01Å; L290-L292 HydrophobicContact CD2-CD1 3.8Å; L290-L292 HydrophobicContact CD2-CG 4.19Å; L290-L292 HydrophobicContact CG-CD1 4.07Å; L290-L292 HydrophobicContact CG-CG 3.92Å; L292-C295 VanDerWaalsContact O-CB 3.31Å; L292-C295 WeakPolarHBondContact O-CB 3.25Å; L292-C295 PolarHBondContact O-N 3.17Å; L292-C295 PolarHBondContact O-SG 3.49Å; L292-V298 HydrophobicContact CD1-CG1 4.49Å; L292-L306 HydrophobicContact CD1-CD1 4.25Å; L292-N321 PolarHBondContact N-O 3.25Å; L292-L322 HydrophobicContact CB-CD2 3.99Å; L292-L322 HydrophobicContact CD1-CD2 4.25Å; L292-C325 PolarHBondContact O-SG 3.02Å
293S95.1Very high92.3Very high10 Ų1028.3 Ų28.37%0.0716%0.158CC..THydrogen-bonded Turntrans-59.2146.7-179.354.80000112A268 G269 D291 C295 N321 A323A268-S293 CarbonylContact C-O 3.57Å; A268-S293 WeakPolarHBondContact CA-O 3.23Å; A268-S293 VanDerWaalsContact CB-O 3.32Å; A268-S293 WeakPolarHBondContact CB-O 3.45Å; A268-S293 WeakPolarHBondContact CB-OG 3.37Å; G269-S293 PolarHBondContact N-O 3.27Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.36Å; D291-S293 PolarHBondContact OD1-N 3.44Å; D291-S293 PolarHBondContact OD1-OG 2.99Å; S293-C295 PolarHBondContact O-N 2.73Å; S293-N321 PolarHBondContact N-O 3.03Å; S293-N321 PolarHBondContact OG-ND2 3.08Å; S293-A323 CarbonylContact C-O 3.59Å; S293-A323 WeakPolarHBondContact CA-O 3.46Å; S293-A323 WeakPolarHBondContact CB-O 3.34Å
294H94.2Very high92.6Very high98 Ų9831.2 Ų31.245%0.45417%0.171SC..THydrogen-bonded Turntrans56.715.8-177.8-57-82.9000115.5W229 A296 A323W229-H294 HydrophobicContact CH2-CB 3.58Å; W229-H294 AromaticContact CH2-CG 3.84Å; W229-H294 HydrophobicContact CZ2-CB 3.92Å; W229-H294 AromaticContact CZ2-CD2 3.84Å; W229-H294 AromaticContact CZ2-CG 3.91Å; H294-A296 PolarHBondContact O-N 3.47Å; H294-A323 PolarHBondContact N-O 3.32Å
295C93.5Very high92.9Very high0 Ų032.3 Ų32.30%018%0.177CC..  trans-77.5111.8171-66.30000109.9L267 L270 L292 S293 H297 V298L267-C295 PolarHBondContact O-SG 3.49Å; L270-C295 PolarHBondContact O-SG 2.95Å; L292-C295 VanDerWaalsContact O-CB 3.31Å; L292-C295 WeakPolarHBondContact O-CB 3.25Å; L292-C295 PolarHBondContact O-N 3.17Å; L292-C295 PolarHBondContact O-SG 3.49Å; S293-C295 PolarHBondContact O-N 2.73Å; C295-H297 VanDerWaalsContact C-N 3.3Å; C295-H297 PolarHBondContact O-N 3.18Å; C295-V298 HydrophobicContact CB-CB 4.08Å; C295-V298 HydrophobicContact CB-CG2 3.49Å; C295-V298 VanDerWaalsContact CB-CG2 3.49Å; C295-V298 PolarHBondContact O-N 3.44Å
296A88.2Confident93.1Very high36 Ų3630.6 Ų30.630%0.29817%0.165SC..THydrogen-bonded Turntrans-66-26.2-171.300000114.8H294 H326 R327H294-A296 PolarHBondContact O-N 3.47Å; A296-H326 PolarHBondContact O-CE1 2.74Å; A296-H326 PolarHBondContact O-NE2 2.88Å; A296-R327 VanDerWaalsContact O-CD 3.29Å; A296-R327 WeakPolarHBondContact O-CD 3.22Å; A296-R327 PolarHBondContact O-NE 3.28Å; A296-R327 VanDerWaalsContact O-NE 3.16Å
297H91.8Very high93.2Very high75 Ų7524.7 Ų24.735%0.34714%0.138SC..THydrogen-bonded Turntrans-100.2-4.1-175.9-59.8-65.5000113.7L272 T273 C295L272-H297 WeakPolarHBondContact O-CB 3.13Å; T273-H297 HydrophobicContact CG2-CB 4.25Å; C295-H297 VanDerWaalsContact C-N 3.3Å; C295-H297 PolarHBondContact O-N 3.18Å
298V92.5Very high93.1Very high0 Ų025.1 Ų25.10%014%0.141CC..  trans-78.5122.6177.1174.60000109.4L292 C295 L322L292-V298 HydrophobicContact CD1-CG1 4.49Å; C295-V298 HydrophobicContact CB-CB 4.08Å; C295-V298 HydrophobicContact CB-CG2 3.49Å; C295-V298 VanDerWaalsContact CB-CG2 3.49Å; C295-V298 PolarHBondContact O-N 3.44Å; V298-L322 HydrophobicContact CG1-CD2 3.83Å
299G92.7Very high92.7Very high4 Ų428.2 Ų28.24%0.04116%0.16CC..BIsolated β-bridgetrans-142.8-165.2-177.800000113.1P301 S302 V303 L328G299-P301 VanDerWaalsContact C-CD 3.44Å; G299-S302 PolarHBondContact N-OG 3.39Å; G299-S302 VanDerWaalsContact N-OG 3.07Å; G299-S302 WeakPolarHBondContact O-CA 3.34Å; G299-S302 WeakPolarHBondContact O-CB 3.42Å; G299-S302 PolarHBondContact O-N 2.66Å; G299-S302 PolarHBondContact O-OG 3.32Å; G299-V303 PolarHBondContact O-N 2.94Å; G299-L328 VanDerWaalsContact C-CD2 3.48Å
300D93.1Very high92.2Very high31 Ų3134.3 Ų34.317%0.16620%0.197CC..Hα-helixtrans-56.8-39.2-177.5-59.3-11.4000114.2S302 V303 H304 L328 T329 C332D300-S302 VanDerWaalsContact C-N 3.26Å; D300-S302 PolarHBondContact O-N 2.6Å; D300-V303 PolarHBondContact O-N 3.4Å; D300-H304 PolarHBondContact O-N 3.25Å; D300-L328 WeakPolarHBondContact OD1-CA 3.24Å; D300-T329 PolarHBondContact OD1-N 2.92Å; D300-T329 WeakPolarHBondContact OD2-CB 3.5Å; D300-T329 PolarHBondContact OD2-OG1 3.22Å; D300-C332 HydrophobicContact CB-CB 4.18Å; D300-C332 WeakPolarHBondContact OD1-CB 3.47Å
301P92.9Very high91.8Very high79 Ų7934.4 Ų34.451%0.51320%0.198SC..Hα-helixtrans-59.4-37173.7-24.835.9000112.8G299 H304 L305G299-P301 VanDerWaalsContact C-CD 3.44Å; P301-H304 WeakPolarHBondContact O-CB 3.16Å; P301-H304 PolarHBondContact O-N 3Å; P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å
302S92.7Very high91.4Very high1 Ų135.9 Ų35.91%0.00721%0.209CC..Hα-helixtrans-61.5-47.6175.7-47.40000111.3D274 L277 G299 D300 H304 L305 L306D274-S302 VanDerWaalsContact OD1-CA 3.3Å; D274-S302 WeakPolarHBondContact OD1-CA 3.22Å; D274-S302 VanDerWaalsContact OD1-CB 3.3Å; D274-S302 WeakPolarHBondContact OD1-CB 3.08Å; D274-S302 PolarHBondContact OD1-N 2.65Å; D274-S302 PolarHBondContact OD1-OG 2.83Å; L277-S302 VanDerWaalsContact CD1-CB 3.42Å; G299-S302 PolarHBondContact N-OG 3.39Å; G299-S302 VanDerWaalsContact N-OG 3.07Å; G299-S302 WeakPolarHBondContact O-CA 3.34Å; G299-S302 WeakPolarHBondContact O-CB 3.42Å; G299-S302 PolarHBondContact O-N 2.66Å; G299-S302 PolarHBondContact O-OG 3.32Å; D300-S302 VanDerWaalsContact C-N 3.26Å; D300-S302 PolarHBondContact O-N 2.6Å; S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.37Å; S302-L305 WeakPolarHBondContact O-CB 3.3Å; S302-L305 PolarHBondContact O-N 2.97Å; S302-L306 WeakPolarHBondContact O-CG 3.21Å; S302-L306 PolarHBondContact O-N 3.33Å
303V93.1Very high91Very high1 Ų136 Ų361%0.00621%0.209CC..Hα-helixtrans-63.6-40.4176.4177.80000110.8G299 D300 L305 L306 T307 L322 L328 C332 L335 F336G299-V303 PolarHBondContact O-N 2.94Å; D300-V303 PolarHBondContact O-N 3.4Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 2.78Å; V303-L306 PolarHBondContact O-N 2.8Å; V303-T307 HydrophobicContact CG1-CG2 4.05Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 VanDerWaalsContact O-CG2 3.3Å; V303-T307 WeakPolarHBondContact O-CG2 3.45Å; V303-T307 PolarHBondContact O-N 3Å; V303-T307 PolarHBondContact O-OG1 2.62Å; V303-L322 HydrophobicContact CG2-CD1 4.03Å; V303-L328 HydrophobicContact CG2-CD2 3.58Å; V303-C332 HydrophobicContact CB-CB 4.04Å; V303-C332 HydrophobicContact CG1-CB 4.06Å; V303-C332 HydrophobicContact CG2-CB 4.17Å; V303-L335 HydrophobicContact CB-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CB 4.07Å; V303-L335 HydrophobicContact CG1-CD1 4.11Å; V303-F336 HydrophobicContact CB-CE1 4.48Å; V303-F336 HydrophobicContact CB-CZ 4.39Å; V303-F336 HydrophobicContact CG1-CD1 4.08Å; V303-F336 HydrophobicContact CG1-CE1 3.43Å; V303-F336 VanDerWaalsContact CG1-CE1 3.43Å; V303-F336 HydrophobicContact CG1-CE2 4.26Å; V303-F336 HydrophobicContact CG1-CZ 3.54Å; V303-F336 HydrophobicContact CG2-CE1 4.23Å; V303-F336 HydrophobicContact CG2-CZ 3.89Å
304H93.4Very high90.7Very high88 Ų8839.1 Ų39.141%0.40722%0.22SC..Hα-helixtrans-59.8-41.7174.9-174-85.2000111.9D300 P301 S302 T307 A308 L335D300-H304 PolarHBondContact O-N 3.25Å; P301-H304 WeakPolarHBondContact O-CB 3.16Å; P301-H304 PolarHBondContact O-N 3Å; S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.37Å; H304-T307 PolarHBondContact O-N 3.29Å; H304-A308 WeakPolarHBondContact O-CA 3.42Å; H304-A308 VanDerWaalsContact O-CB 3.29Å; H304-A308 WeakPolarHBondContact O-CB 3.38Å; H304-A308 PolarHBondContact O-N 2.87Å; H304-L335 HydrophobicContact CB-CD1 3.99Å
305L92.6Very high90.4Very high25 Ų2538.4 Ų38.413%0.13122%0.216CC..Hα-helixtrans-63.3-44.3175.3-71168.9000112.2D274 R278 P301 S302 V303 T307 S311D274-L305 HydrophobicContact CB-CD1 3.76Å; R278-L305 HydrophobicContact CG-CD1 4.12Å; R278-L305 HydrophobicContact CG-CD2 4.38Å; P301-L305 WeakPolarHBondContact O-CG 3.39Å; P301-L305 PolarHBondContact O-N 3.09Å; S302-L305 WeakPolarHBondContact O-CB 3.3Å; S302-L305 PolarHBondContact O-N 2.97Å; V303-L305 VanDerWaalsContact C-N 3.31Å; V303-L305 PolarHBondContact O-N 2.78Å; L305-T307 VanDerWaalsContact C-N 3.33Å; L305-T307 PolarHBondContact O-N 3.03Å; L305-S311 WeakPolarHBondContact O-CB 3.35Å
306L91.3Very high90.3Very high5 Ų540 Ų403%0.02623%0.226CC..Hα-helixtrans-65.9-36.1-179.8-66.5172.9000112.5L281 L290 L292 S302 V303 S311 L313L281-L306 HydrophobicContact CD2-CD2 4.16Å; L290-L306 HydrophobicContact CD2-CD1 4.24Å; L290-L306 HydrophobicContact CD2-CD2 4.08Å; L292-L306 HydrophobicContact CD1-CD1 4.25Å; S302-L306 WeakPolarHBondContact O-CG 3.21Å; S302-L306 PolarHBondContact O-N 3.33Å; V303-L306 PolarHBondContact O-N 2.8Å; L306-S311 VanDerWaalsContact O-CB 3.24Å; L306-S311 WeakPolarHBondContact O-CB 3.23Å; L306-S311 PolarHBondContact O-OG 3.3Å; L306-L313 HydrophobicContact CD2-CD1 3.78Å
307T89.8Confident90.4Very high2 Ų238.4 Ų38.41%0.01221%0.213CC..Hα-helixtrans-98.5-0-174.962.10000114V303 H304 L305 L335 F336V303-T307 HydrophobicContact CG1-CG2 4.05Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 VanDerWaalsContact O-CG2 3.3Å; V303-T307 WeakPolarHBondContact O-CG2 3.45Å; V303-T307 PolarHBondContact O-N 3Å; V303-T307 PolarHBondContact O-OG1 2.62Å; H304-T307 PolarHBondContact O-N 3.29Å; L305-T307 VanDerWaalsContact C-N 3.33Å; L305-T307 PolarHBondContact O-N 3.03Å; T307-L335 HydrophobicContact CG2-CB 4.3Å; T307-F336 HydrophobicContact CG2-CD1 4.41Å
308A90.6Very high90.5Very high8 Ų836.3 Ų36.37%0.06621%0.205CC..SBendtrans-60.7150.4179.800000111.4H304 T310 S311H304-A308 WeakPolarHBondContact O-CA 3.42Å; H304-A308 VanDerWaalsContact O-CB 3.29Å; H304-A308 WeakPolarHBondContact O-CB 3.38Å; H304-A308 PolarHBondContact O-N 2.87Å; A308-T310 PolarHBondContact O-N 2.74Å; A308-T310 VanDerWaalsContact O-N 3.12Å; A308-S311 WeakPolarHBondContact O-CB 3.11Å; A308-S311 PolarHBondContact O-N 3.44Å
309P85.8Confident90.6Very high101 Ų10140.1 Ų40.166%0.65622%0.223SC*.THydrogen-bonded Turntrans-58.5-26.4176-24.934.4000114S311P309-S311 VanDerWaalsContact C-N 3.31Å
310T85.3Confident90.7Very high135 Ų13540.3 Ų40.383%0.82822%0.223SC*.THydrogen-bonded Turntrans-82.4-6.5177.6530000113.5A308A308-T310 PolarHBondContact O-N 2.74Å; A308-T310 VanDerWaalsContact O-N 3.12Å
311S87.8Confident90.9Very high6 Ų640.4 Ų40.44%0.04222%0.223CC..  trans-85.2124.2-178.4175.60000110.9L281 L305 L306 A308 P309 L313 R314L281-S311 WeakPolarHBondContact CD2-OG 3.43Å; L305-S311 WeakPolarHBondContact O-CB 3.35Å; L306-S311 VanDerWaalsContact O-CB 3.24Å; L306-S311 WeakPolarHBondContact O-CB 3.23Å; L306-S311 PolarHBondContact O-OG 3.3Å; A308-S311 WeakPolarHBondContact O-CB 3.11Å; A308-S311 PolarHBondContact O-N 3.44Å; P309-S311 VanDerWaalsContact C-N 3.31Å; S311-L313 PolarHBondContact O-N 3.26Å; S311-L313 PolarHBondContact OG-N 3.47Å; S311-R314 WeakPolarHBondContact O-CB 3.5Å; S311-R314 PolarHBondContact O-N 3.48Å
312P87.2Confident90.9Very high49 Ų4936.7 Ų36.732%0.31820%0.199SC..THydrogen-bonded Turntrans-64-27.117326.2-32.6000111.7L281 P285 R314 E315L281-P312 VanDerWaalsContact O-CG 3.22Å; L281-P312 WeakPolarHBondContact O-CG 3.27Å; P285-P312 HydrophobicContact CB-CB 4.01Å; P285-P312 HydrophobicContact CB-CG 4.08Å; P312-R314 PolarHBondContact O-N 3.2Å; P312-E315 PolarHBondContact O-N 3.22Å
313L87.1Confident91Very high1 Ų137.1 Ų37.11%0.00520%0.203CC..Hα-helixtrans-67.1-23.4-178.1-60.6-169.2000113L281 L287 L306 S311 E315 T316 L317L281-L313 HydrophobicContact CD2-CB 4.13Å; L281-L313 HydrophobicContact CD2-CD1 3.48Å; L281-L313 VanDerWaalsContact CD2-CD1 3.48Å; L281-L313 HydrophobicContact CD2-CG 3.54Å; L287-L313 HydrophobicContact CB-CD2 3.63Å; L287-L313 HydrophobicContact CD2-CD1 4.45Å; L306-L313 HydrophobicContact CD2-CD1 3.78Å; S311-L313 PolarHBondContact O-N 3.26Å; S311-L313 PolarHBondContact OG-N 3.47Å; L313-E315 PolarHBondContact O-N 3.3Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 PolarHBondContact O-N 3.02Å; L313-L317 HydrophobicContact CB-CD1 4.22Å; L313-L317 HydrophobicContact CD1-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 PolarHBondContact O-N 3.28Å
314R88.8Confident90.9Very high76 Ų7637.8 Ų37.829%0.28721%0.21SC..Hα-helixtrans-53.1-40.3177.6-179.3-178.5169.7-134-6.4112.5S311 P312 R338 C339S311-R314 WeakPolarHBondContact O-CB 3.5Å; S311-R314 PolarHBondContact O-N 3.48Å; P312-R314 PolarHBondContact O-N 3.2Å; R314-R338 VanDerWaalsContact CG-O 3.3Å; R314-R338 WeakPolarHBondContact CG-O 2.99Å; R314-R338 PolarHBondContact NE-O 3.3Å; R314-C339 WeakPolarHBondContact O-CA 3.31Å
315E88.8Confident90.9Very high83 Ų8333.6 Ų33.639%0.38819%0.19SC..Hα-helixtrans-95.6-13.8-175.9-61.7-58.6151.900113.5P312 L313 P340 R341P312-E315 PolarHBondContact O-N 3.22Å; L313-E315 PolarHBondContact O-N 3.3Å; E315-P340 WeakPolarHBondContact OE2-CG 3.17Å; E315-R341 WeakPolarHBondContact O-CD 3.41Å; E315-R341 PolarHBondContact O-NE 3.47Å; E315-R341 PolarHBondContact O-NH1 3.22Å
316T90.6Very high90.9Very high33 Ų3336.6 Ų36.620%0.20220%0.203CC..Hα-helixtrans-103.6-24.6-176.962.10000113.4L287 S288 L313 V318L287-T316 VanDerWaalsContact O-CB 3.29Å; L287-T316 WeakPolarHBondContact O-CB 3.12Å; L287-T316 PolarHBondContact O-OG1 3.3Å; S288-T316 WeakPolarHBondContact CA-O 3.46Å; L313-T316 WeakPolarHBondContact CA-OG1 3.22Å; L313-T316 PolarHBondContact O-N 3.02Å; T316-V318 WeakPolarHBondContact O-CG2 3.31Å; T316-V318 PolarHBondContact O-N 2.85Å
317L91.8Very high90.9Very high4 Ų442.6 Ų42.62%0.02123%0.226CC..  trans-77.6120-168.2-155.5146.7000111.9L290 L313 L320 R341 L342L290-L317 HydrophobicContact CB-CD1 4.29Å; L290-L317 HydrophobicContact CD2-CD1 4.49Å; L313-L317 HydrophobicContact CB-CD1 4.22Å; L313-L317 HydrophobicContact CD1-CD1 4.45Å; L313-L317 WeakPolarHBondContact O-CB 3.37Å; L313-L317 PolarHBondContact O-N 3.28Å; L317-L320 HydrophobicContact CD1-CD1 4.44Å; L317-L320 HydrophobicContact CD2-CB 3.65Å; L317-L320 HydrophobicContact CD2-CD1 4.34Å; L317-L320 HydrophobicContact CD2-CD2 4.26Å; L317-L320 HydrophobicContact CD2-CG 4.29Å; L317-R341 CarbonylContact O-C 3.5Å; L317-L342 HydrophobicContact CD2-CD1 3.52Å; L317-L342 WeakPolarHBondContact O-CA 3.5Å; L317-L342 PolarHBondContact O-N 3.2Å
318V93.5Very high91.1Very high30 Ų3042.5 Ų42.518%0.18223%0.225CC..  trans-110.2-36.8-177.1-176.20000110.9S288 T316 R341 R343 R344S288-V318 WeakPolarHBondContact O-CA 3.32Å; S288-V318 PolarHBondContact O-N 3.46Å; T316-V318 WeakPolarHBondContact O-CG2 3.31Å; T316-V318 PolarHBondContact O-N 2.85Å; V318-R341 WeakPolarHBondContact CA-O 3.39Å; V318-R341 HydrophobicContact CG2-CB 4.39Å; V318-R343 HydrophobicContact CG1-CB 3.86Å; V318-R343 HydrophobicContact CG1-CG 3.91Å; V318-R343 PolarHBondContact O-N 2.99Å; V318-R344 PolarHBondContact O-N 3Å
319H94.9Very high91.2Very high81 Ų8143.9 Ų43.938%0.37523%0.233SC..EExtended strand (participates in β ladder)trans-127.5123.5-179.6-55.6-48.2000110.4S288 A289 L290 R344S288-H319 PolarHBondContact O-N 3.28Å; A289-H319 CarbonylContact C-O 3.59Å; A289-H319 VanDerWaalsContact CA-O 3.3Å; A289-H319 WeakPolarHBondContact CA-O 3.31Å; A289-H319 HydrophobicContact CB-CB 3.89Å; L290-H319 PolarHBondContact N-O 3.42Å; H319-R344 CarbonylContact C-O 3.48Å; H319-R344 WeakPolarHBondContact CA-O 3.42Å; H319-R344 HydrophobicContact CB-CB 4.35Å; H319-R344 VanDerWaalsContact ND1-CB 3.26Å; H319-R344 WeakPolarHBondContact ND1-CB 3.45Å
320L94.8Very high91.5Very high8 Ų841.5 Ų41.54%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-124.4123.7174.7-166.647.1000109.5L290 L317 L322 F336 L342 R344 L345 D346L290-L320 HydrophobicContact CB-CD1 4.07Å; L290-L320 HydrophobicContact CD2-CD1 4.27Å; L290-L320 HydrophobicContact CG-CD1 4.24Å; L290-L320 WeakPolarHBondContact O-CA 3.08Å; L317-L320 HydrophobicContact CD1-CD1 4.44Å; L317-L320 HydrophobicContact CD2-CB 3.65Å; L317-L320 HydrophobicContact CD2-CD1 4.34Å; L317-L320 HydrophobicContact CD2-CD2 4.26Å; L317-L320 HydrophobicContact CD2-CG 4.29Å; L320-L322 HydrophobicContact CD1-CG 4.25Å; L320-L322 HydrophobicContact CD2-CD1 3.8Å; L320-L322 HydrophobicContact CD2-CG 4.37Å; L320-L322 HydrophobicContact CG-CD1 3.93Å; L320-L322 HydrophobicContact CG-CG 3.96Å; L320-F336 HydrophobicContact CD2-CD1 4.07Å; L320-F336 HydrophobicContact CD2-CE1 3.53Å; L320-L342 HydrophobicContact CB-CD1 4.04Å; L320-R344 PolarHBondContact N-O 3.38Å; L320-L345 HydrophobicContact CB-CD1 3.96Å; L320-L345 HydrophobicContact CD2-CD1 4.1Å; L320-L345 HydrophobicContact CG-CD1 4.14Å; L320-L345 WeakPolarHBondContact O-CA 3.27Å; L320-D346 PolarHBondContact O-N 3.46Å
321N95.6Very high91.7Very high33 Ų3342.7 Ų42.718%0.17621%0.21CC..EExtended strand (participates in β ladder)trans-112.8118.2169.7-175.18.9000109.9L290 D291 L292 S293 A323 D346L290-N321 PolarHBondContact O-N 2.82Å; D291-N321 HydrophobicContact CB-CB 4.12Å; D291-N321 PolarHBondContact OD1-ND2 3.23Å; D291-N321 VanDerWaalsContact OD1-ND2 3.08Å; L292-N321 PolarHBondContact N-O 3.25Å; S293-N321 PolarHBondContact N-O 3.03Å; S293-N321 PolarHBondContact OG-ND2 3.08Å; N321-A323 VanDerWaalsContact OD1-CB 3.23Å; N321-A323 WeakPolarHBondContact OD1-CB 3.29Å; N321-A323 PolarHBondContact OD1-N 3.5Å; N321-D346 HydrophobicContact CB-CB 4.3Å
322L94.5Very high91.9Very high0 Ų042.4 Ų42.40%021%0.208CC..  trans-125.418.2178.4-71.8169.5000110.8L292 V298 V303 L320 G324 C325 L328 F336 L345 D346 L347 C350L292-L322 HydrophobicContact CB-CD2 3.99Å; L292-L322 HydrophobicContact CD1-CD2 4.25Å; V298-L322 HydrophobicContact CG1-CD2 3.83Å; V303-L322 HydrophobicContact CG2-CD1 4.03Å; L320-L322 HydrophobicContact CD1-CG 4.25Å; L320-L322 HydrophobicContact CD2-CD1 3.8Å; L320-L322 HydrophobicContact CD2-CG 4.37Å; L320-L322 HydrophobicContact CG-CD1 3.93Å; L320-L322 HydrophobicContact CG-CG 3.96Å; L322-G324 PolarHBondContact O-N 3.09Å; L322-C325 VanDerWaalsContact O-CB 3.31Å; L322-C325 WeakPolarHBondContact O-CB 3.19Å; L322-C325 PolarHBondContact O-N 3.11Å; L322-C325 PolarHBondContact O-SG 3.46Å; L322-L328 HydrophobicContact CB-CD1 3.74Å; L322-L328 HydrophobicContact CD1-CD1 4.04Å; L322-L328 HydrophobicContact CD2-CD1 4.38Å; L322-L328 HydrophobicContact CG-CD1 4.27Å; L322-F336 HydrophobicContact CD1-CE1 3.93Å; L322-F336 HydrophobicContact CD1-CZ 3.65Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å; L322-D346 CarbonylContact C-O 3.59Å; L322-D346 PolarHBondContact N-O 3.38Å; L322-L347 HydrophobicContact CB-CD2 3.88Å; L322-L347 HydrophobicContact CD1-CD2 4.11Å; L322-C350 PolarHBondContact O-SG 3.1Å
323A94.1Very high92Very high11 Ų1140.3 Ų40.39%0.09119%0.194CC..THydrogen-bonded Turntrans-58.1138.9-177.100000111.5S293 H294 N321 C325 D346 R348S293-A323 CarbonylContact C-O 3.59Å; S293-A323 WeakPolarHBondContact CA-O 3.46Å; S293-A323 WeakPolarHBondContact CB-O 3.34Å; H294-A323 PolarHBondContact N-O 3.32Å; N321-A323 VanDerWaalsContact OD1-CB 3.23Å; N321-A323 WeakPolarHBondContact OD1-CB 3.29Å; N321-A323 PolarHBondContact OD1-N 3.5Å; A323-C325 PolarHBondContact O-N 2.95Å; A323-D346 PolarHBondContact N-O 3.35Å; A323-R348 CarbonylContact C-O 3.58Å; A323-R348 WeakPolarHBondContact CA-O 3.49Å; A323-R348 HydrophobicContact CB-CB 4.28Å; A323-R348 WeakPolarHBondContact CB-O 3.47Å
324G91.4Very high92Very high14 Ų1444 Ų4414%0.14422%0.219CC..THydrogen-bonded Turntrans71.24.6179.400000115.4L322 H326 R348L322-G324 PolarHBondContact O-N 3.09Å; G324-H326 PolarHBondContact O-N 2.92Å; G324-R348 PolarHBondContact N-O 3.4Å
325C93.2Very high92Very high0 Ų041.5 Ų41.50%021%0.211CC..  trans-72.7110.8168.6-70.30000109.5L292 L322 A323 L328 C350L292-C325 PolarHBondContact O-SG 3.02Å; L322-C325 VanDerWaalsContact O-CB 3.31Å; L322-C325 WeakPolarHBondContact O-CB 3.19Å; L322-C325 PolarHBondContact O-N 3.11Å; L322-C325 PolarHBondContact O-SG 3.46Å; A323-C325 PolarHBondContact O-N 2.95Å; C325-L328 HydrophobicContact CB-CD1 3.54Å; C325-L328 HydrophobicContact CB-CG 3.91Å; C325-C350 PolarHBondContact O-SG 3.42Å
326H91.4Very high92Very high88 Ų8837.6 Ų37.641%0.40719%0.193SC..THydrogen-bonded Turntrans-87-8.3-170.963.1-92.4000114.6A296 G324 Q352A296-H326 PolarHBondContact O-CE1 2.74Å; A296-H326 PolarHBondContact O-NE2 2.88Å; G324-H326 PolarHBondContact O-N 2.92Å; H326-Q352 PolarHBondContact O-OE1 2.87Å
327R92.2Very high91.7Very high131 Ų13141.2 Ų41.249%0.49420%0.203SC..BIsolated β-bridgetrans-975.4178.1-60.1-174.7173.6-135.5-5.2113.6A296A296-R327 VanDerWaalsContact O-CD 3.29Å; A296-R327 WeakPolarHBondContact O-CD 3.22Å; A296-R327 PolarHBondContact O-NE 3.28Å; A296-R327 VanDerWaalsContact O-NE 3.16Å
328L93.1Very high91.5Very high0 Ų045.6 Ų45.60%022%0.219CC..  trans-86.8126.6177.7-69.6175.1000110.1G299 D300 V303 L322 C325 L347 Q352G299-L328 VanDerWaalsContact C-CD2 3.48Å; D300-L328 WeakPolarHBondContact OD1-CA 3.24Å; V303-L328 HydrophobicContact CG2-CD2 3.58Å; L322-L328 HydrophobicContact CB-CD1 3.74Å; L322-L328 HydrophobicContact CD1-CD1 4.04Å; L322-L328 HydrophobicContact CD2-CD1 4.38Å; L322-L328 HydrophobicContact CG-CD1 4.27Å; C325-L328 HydrophobicContact CB-CD1 3.54Å; C325-L328 HydrophobicContact CB-CG 3.91Å; L328-L347 HydrophobicContact CD1-CD2 4.21Å; L328-Q352 WeakPolarHBondContact O-CB 3.42Å
329T93Very high91.3Very high38 Ų3844.7 Ų44.723%0.23321%0.214CC..  trans-115.9169.5178.984.50000111.4D300 H331 C332 L353D300-T329 PolarHBondContact OD1-N 2.92Å; D300-T329 WeakPolarHBondContact OD2-CB 3.5Å; D300-T329 PolarHBondContact OD2-OG1 3.22Å; T329-H331 PolarHBondContact O-N 3.42Å; T329-H331 WeakPolarHBondContact OG1-CB 3.42Å; T329-H331 PolarHBondContact OG1-CD2 3.26Å; T329-H331 PolarHBondContact OG1-N 3.02Å; T329-C332 PolarHBondContact O-N 2.99Å; T329-C332 PolarHBondContact O-SG 3.49Å; T329-L353 VanDerWaalsContact O-CD2 3.27Å; T329-L353 WeakPolarHBondContact O-CD2 3.44Å
330D91.9Very high90.9Very high51 Ų5143.4 Ų43.427%0.27321%0.212SC..G310 helixtrans-57.4-19.2179.8-69.6-11.3000113C332 L333 L353 S354 A357D330-C332 VanDerWaalsContact C-N 3.28Å; D330-C332 PolarHBondContact O-N 3.43Å; D330-L333 HydrophobicContact CB-CD1 4.35Å; D330-L333 PolarHBondContact O-N 3.1Å; D330-L353 WeakPolarHBondContact OD1-CA 3.12Å; D330-L353 WeakPolarHBondContact OD1-CD2 3.42Å; D330-S354 PolarHBondContact OD1-N 2.57Å; D330-S354 WeakPolarHBondContact OD2-CB 3.29Å; D330-S354 PolarHBondContact OD2-OG 3.23Å; D330-A357 HydrophobicContact CB-CB 3.98Å; D330-A357 VanDerWaalsContact CG-CB 3.42Å; D330-A357 WeakPolarHBondContact OD2-CB 3.3Å
331H90.8Very high90.6Very high159 Ų15950.3 Ų50.374%0.73624%0.238SC*.G310 helixtrans-64.6-25.8176.2-63.7-40.6000114T329 P334T329-H331 PolarHBondContact O-N 3.42Å; T329-H331 WeakPolarHBondContact OG1-CB 3.42Å; T329-H331 PolarHBondContact OG1-CD2 3.26Å; T329-H331 PolarHBondContact OG1-N 3.02Å; H331-P334 WeakPolarHBondContact O-CD 3.29Å
332C90.8Very high90.3Very high0 Ų048.9 Ų48.90%023%0.23CC..G310 helixtrans-79.5-21.6178.573.40000113.5D300 V303 T329 D330 L335D300-C332 HydrophobicContact CB-CB 4.18Å; D300-C332 WeakPolarHBondContact OD1-CB 3.47Å; V303-C332 HydrophobicContact CB-CB 4.04Å; V303-C332 HydrophobicContact CG1-CB 4.06Å; V303-C332 HydrophobicContact CG2-CB 4.17Å; T329-C332 PolarHBondContact O-N 2.99Å; T329-C332 PolarHBondContact O-SG 3.49Å; D330-C332 VanDerWaalsContact C-N 3.28Å; D330-C332 PolarHBondContact O-N 3.43Å; C332-L335 HydrophobicContact CB-CD1 4.38Å; C332-L335 WeakPolarHBondContact O-CB 3.47Å; C332-L335 WeakPolarHBondContact O-CG 3.47Å; C332-L335 PolarHBondContact O-N 3.31Å
333L89.1Confident90.1Very high5 Ų554.2 Ų54.23%0.02625%0.25CS..G310 helixtrans-58.6-44.7-172.5-65.1172.9000113.9D330 L335 F336 L347 L353 A357 L361D330-L333 HydrophobicContact CB-CD1 4.35Å; D330-L333 PolarHBondContact O-N 3.1Å; L333-L335 PolarHBondContact O-N 2.97Å; L333-F336 HydrophobicContact CD2-CD2 4.41Å; L333-F336 HydrophobicContact CD2-CE2 4.26Å; L333-F336 PolarHBondContact O-N 3.11Å; L333-L347 HydrophobicContact CD2-CD1 3.56Å; L333-L353 HydrophobicContact CD1-CD2 4.25Å; L333-L353 HydrophobicContact CD2-CD2 4.28Å; L333-L353 HydrophobicContact CG-CD2 4.17Å; L333-A357 HydrophobicContact CD1-CB 3.39Å; L333-L361 HydrophobicContact CB-CD2 4.05Å; L333-L361 HydrophobicContact CD2-CD2 3.87Å; L333-L361 WeakPolarHBondContact O-CD1 3.27Å
334P88.1Confident90Very high80 Ų8059.1 Ų59.152%0.51927%0.266SS..G310 helixtrans-62-24.2176.8-22.234.7000113.4H331 F336 R337H331-P334 WeakPolarHBondContact O-CD 3.29Å; P334-F336 VanDerWaalsContact C-N 3.31Å; P334-F336 PolarHBondContact O-N 2.99Å; P334-R337 WeakPolarHBondContact O-CB 3.49Å; P334-R337 PolarHBondContact O-N 3.26Å
335L89.4Confident90Very high22 Ų2258.4 Ų58.412%0.11526%0.26CS..G310 helixtrans-68-31.6-178.3-53.8177.1000111.7V303 H304 T307 C332 L333 R337 R338V303-L335 HydrophobicContact CB-CD1 4.49Å; V303-L335 HydrophobicContact CG1-CB 4.07Å; V303-L335 HydrophobicContact CG1-CD1 4.11Å; H304-L335 HydrophobicContact CB-CD1 3.99Å; T307-L335 HydrophobicContact CG2-CB 4.3Å; C332-L335 HydrophobicContact CB-CD1 4.38Å; C332-L335 WeakPolarHBondContact O-CB 3.47Å; C332-L335 WeakPolarHBondContact O-CG 3.47Å; C332-L335 PolarHBondContact O-N 3.31Å; L333-L335 PolarHBondContact O-N 2.97Å; L335-R337 PolarHBondContact O-N 3.13Å; L335-R338 VanDerWaalsContact O-CB 3.23Å; L335-R338 WeakPolarHBondContact O-CB 3.24Å; L335-R338 WeakPolarHBondContact O-CG 3.47Å; L335-R338 PolarHBondContact O-N 3.05Å
336F88.2Confident90Very high2 Ų258.6 Ų58.61%0.00926%0.26CS..G310 helixtrans-64.5-23177.8-61.4-60.6000113.2V303 T307 L320 L322 L333 P334 R338 C339 L342 L345 L347 L361V303-F336 HydrophobicContact CB-CE1 4.48Å; V303-F336 HydrophobicContact CB-CZ 4.39Å; V303-F336 HydrophobicContact CG1-CD1 4.08Å; V303-F336 HydrophobicContact CG1-CE1 3.43Å; V303-F336 VanDerWaalsContact CG1-CE1 3.43Å; V303-F336 HydrophobicContact CG1-CE2 4.26Å; V303-F336 HydrophobicContact CG1-CZ 3.54Å; V303-F336 HydrophobicContact CG2-CE1 4.23Å; V303-F336 HydrophobicContact CG2-CZ 3.89Å; T307-F336 HydrophobicContact CG2-CD1 4.41Å; L320-F336 HydrophobicContact CD2-CD1 4.07Å; L320-F336 HydrophobicContact CD2-CE1 3.53Å; L322-F336 HydrophobicContact CD1-CE1 3.93Å; L322-F336 HydrophobicContact CD1-CZ 3.65Å; L333-F336 HydrophobicContact CD2-CD2 4.41Å; L333-F336 HydrophobicContact CD2-CE2 4.26Å; L333-F336 PolarHBondContact O-N 3.11Å; P334-F336 VanDerWaalsContact C-N 3.31Å; P334-F336 PolarHBondContact O-N 2.99Å; F336-R338 PolarHBondContact O-N 3.36Å; F336-C339 PolarHBondContact O-N 3.28Å; F336-C339 VanDerWaalsContact O-N 3.13Å; F336-L342 HydrophobicContact CB-CD2 4.02Å; F336-L342 HydrophobicContact CD1-CD2 4.34Å; F336-L342 HydrophobicContact CG-CD2 4.49Å; F336-L345 HydrophobicContact CB-CD2 3.98Å; F336-L345 HydrophobicContact CD1-CD1 4.21Å; F336-L345 HydrophobicContact CD1-CD2 4.06Å; F336-L345 HydrophobicContact CD2-CD2 3.49Å; F336-L345 VanDerWaalsContact CD2-CD2 3.49Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CD2 4.45Å; F336-L345 HydrophobicContact CE2-CD1 4.36Å; F336-L345 HydrophobicContact CE2-CD2 3.94Å; F336-L345 HydrophobicContact CG-CD2 3.56Å; F336-L345 HydrophobicContact CZ-CD1 4.06Å; F336-L345 HydrophobicContact CZ-CD2 4.39Å; F336-L347 HydrophobicContact CE2-CD1 4.3Å; F336-L347 HydrophobicContact CE2-CD2 4.4Å; F336-L347 HydrophobicContact CZ-CD2 4.4Å; F336-L361 HydrophobicContact CD2-CD2 4.21Å
337R83.9Confident90Very high109 Ų10954.4 Ų54.441%0.41124%0.241SC..G310 helixtrans-65.1-19.1174.5-55.6-178.783.6-176.21.4112.5P334 L335 C339 L361 A364P334-R337 WeakPolarHBondContact O-CB 3.49Å; P334-R337 PolarHBondContact O-N 3.26Å; L335-R337 PolarHBondContact O-N 3.13Å; R337-C339 PolarHBondContact O-N 3.01Å; R337-L361 HydrophobicContact CG-CD1 3.6Å; R337-A364 PolarHBondContact NE-O 3.38Å; R337-A364 VanDerWaalsContact NH2-C 3.27Å; R337-A364 PolarHBondContact NH2-O 3.46Å
338R87.9Confident89.9Confident96 Ų9652 Ų5236%0.36223%0.232SC..G310 helixtrans-71.6-15.2176.4-59.2175.9178.6177.5-0.6112.6R314 L335 F336 P340R314-R338 VanDerWaalsContact CG-O 3.3Å; R314-R338 WeakPolarHBondContact CG-O 2.99Å; R314-R338 PolarHBondContact NE-O 3.3Å; L335-R338 VanDerWaalsContact O-CB 3.23Å; L335-R338 WeakPolarHBondContact O-CB 3.24Å; L335-R338 WeakPolarHBondContact O-CG 3.47Å; L335-R338 PolarHBondContact O-N 3.05Å; F336-R338 PolarHBondContact O-N 3.36Å; R338-P340 VanDerWaalsContact O-CD 3.27Å; R338-P340 WeakPolarHBondContact O-CD 3.47Å
339C88.6Confident89.7Confident11 Ų1156.4 Ų56.47%0.07426%0.263CS..  trans-98.498.6-178.4-62.40000111R314 F336 R337 R341 L342R314-C339 WeakPolarHBondContact O-CA 3.31Å; F336-C339 PolarHBondContact O-N 3.28Å; F336-C339 VanDerWaalsContact O-N 3.13Å; R337-C339 PolarHBondContact O-N 3.01Å; C339-R341 VanDerWaalsContact C-N 3.29Å; C339-R341 PolarHBondContact O-N 2.9Å; C339-L342 HydrophobicContact CB-CB 3.94Å; C339-L342 PolarHBondContact O-N 3.34Å
340P86.3Confident89.6Confident53 Ų5354.6 Ų54.634%0.34425%0.251SS..THydrogen-bonded Turntrans-69.8-23.7-171.727.2-35.3000114E315 R338 P367E315-P340 WeakPolarHBondContact OE2-CG 3.17Å; R338-P340 VanDerWaalsContact O-CD 3.27Å; R338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-P367 HydrophobicContact CB-CG 4.46Å
341R89.2Confident89.4Confident154 Ų15463.1 Ų63.158%0.58128%0.28SS*.THydrogen-bonded Turntrans-93.7-1.8-178.9-61.5-157.5-178.8157.1-7.7114.3E315 L317 V318 C339 R343E315-R341 WeakPolarHBondContact O-CD 3.41Å; E315-R341 PolarHBondContact O-NE 3.47Å; E315-R341 PolarHBondContact O-NH1 3.22Å; L317-R341 CarbonylContact O-C 3.5Å; V318-R341 WeakPolarHBondContact CA-O 3.39Å; V318-R341 HydrophobicContact CG2-CB 4.39Å; C339-R341 VanDerWaalsContact C-N 3.29Å; C339-R341 PolarHBondContact O-N 2.9Å; R341-R343 PolarHBondContact O-N 3.39Å
342L89.7Confident89.4Confident3 Ų360.7 Ų60.72%0.01627%0.269CS..  trans-65.8118.7-177.3-170.866.4000110.1L317 L320 F336 C339 L345 F370L317-L342 HydrophobicContact CD2-CD1 3.52Å; L317-L342 WeakPolarHBondContact O-CA 3.5Å; L317-L342 PolarHBondContact O-N 3.2Å; L320-L342 HydrophobicContact CB-CD1 4.04Å; F336-L342 HydrophobicContact CB-CD2 4.02Å; F336-L342 HydrophobicContact CD1-CD2 4.34Å; F336-L342 HydrophobicContact CG-CD2 4.49Å; C339-L342 HydrophobicContact CB-CB 3.94Å; C339-L342 PolarHBondContact O-N 3.34Å; L342-L345 HydrophobicContact CD2-CB 4.17Å; L342-L345 HydrophobicContact CD2-CD2 4.25Å; L342-F370 HydrophobicContact CD2-CZ 4.48Å
343R89.7Confident89.3Confident111 Ų11160.9 Ų60.942%0.41927%0.27SS..  trans-112.5-29.2-179.3-69.5-179.8176.2-160.9-17.1113V318 R341 L379 K380 S382V318-R343 HydrophobicContact CG1-CB 3.86Å; V318-R343 HydrophobicContact CG1-CG 3.91Å; V318-R343 PolarHBondContact O-N 2.99Å; R341-R343 PolarHBondContact O-N 3.39Å; R343-L379 CarbonylContact O-C 3.39Å; R343-L379 WeakPolarHBondContact O-CA 3.35Å; R343-K380 PolarHBondContact O-N 3.21Å; R343-S382 PolarHBondContact NH2-OXT 3.36Å
344R91.6Very high89.2Confident114 Ų11462.2 Ų62.243%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-132.5123.7178.8-179.6169.7179.9174.71.9109.2V318 H319 L320 L378 L379V318-R344 PolarHBondContact O-N 3Å; H319-R344 CarbonylContact C-O 3.48Å; H319-R344 WeakPolarHBondContact CA-O 3.42Å; H319-R344 HydrophobicContact CB-CB 4.35Å; H319-R344 VanDerWaalsContact ND1-CB 3.26Å; H319-R344 WeakPolarHBondContact ND1-CB 3.45Å; L320-R344 PolarHBondContact N-O 3.38Å; R344-L378 WeakPolarHBondContact CA-O 3.3Å; R344-L379 HydrophobicContact CB-CD2 3.95Å; R344-L379 HydrophobicContact CG-CD2 3.59Å
345L92.2Very high89Confident0 Ų061.9 Ų61.90%028%0.278CS..EExtended strand (participates in β ladder)trans-129.7113.3173.7172.760.6000108.1L320 L322 F336 L342 L347 L361 L378L320-L345 HydrophobicContact CB-CD1 3.96Å; L320-L345 HydrophobicContact CD2-CD1 4.1Å; L320-L345 HydrophobicContact CG-CD1 4.14Å; L320-L345 WeakPolarHBondContact O-CA 3.27Å; L322-L345 HydrophobicContact CD1-CD1 4.48Å; F336-L345 HydrophobicContact CB-CD2 3.98Å; F336-L345 HydrophobicContact CD1-CD1 4.21Å; F336-L345 HydrophobicContact CD1-CD2 4.06Å; F336-L345 HydrophobicContact CD2-CD2 3.49Å; F336-L345 VanDerWaalsContact CD2-CD2 3.49Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CD2 4.45Å; F336-L345 HydrophobicContact CE2-CD1 4.36Å; F336-L345 HydrophobicContact CE2-CD2 3.94Å; F336-L345 HydrophobicContact CG-CD2 3.56Å; F336-L345 HydrophobicContact CZ-CD1 4.06Å; F336-L345 HydrophobicContact CZ-CD2 4.39Å; L342-L345 HydrophobicContact CD2-CB 4.17Å; L342-L345 HydrophobicContact CD2-CD2 4.25Å; L345-L347 HydrophobicContact CD1-CD1 4.31Å; L345-L347 HydrophobicContact CD1-CD2 4.13Å; L345-L347 HydrophobicContact CD1-CG 4Å; L345-L347 HydrophobicContact CD2-CD1 3.88Å; L345-L347 HydrophobicContact CD2-CG 4.43Å; L345-L347 HydrophobicContact CG-CD1 3.9Å; L345-L347 HydrophobicContact CG-CG 3.93Å; L345-L361 HydrophobicContact CD2-CD2 4.24Å; L345-L378 HydrophobicContact CB-CB 4.22Å; L345-L378 HydrophobicContact CD2-CD1 4.13Å; L345-L378 PolarHBondContact N-O 3.44Å; L345-L378 PolarHBondContact O-N 3.29Å
346D92.7Very high88.8Confident3 Ų367.3 Ų67.32%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-103.7113.2179.1-168.7-10.1000109.6L320 N321 L322 A323 R348 L377L320-D346 PolarHBondContact O-N 3.46Å; N321-D346 HydrophobicContact CB-CB 4.3Å; L322-D346 CarbonylContact C-O 3.59Å; L322-D346 PolarHBondContact N-O 3.38Å; A323-D346 PolarHBondContact N-O 3.35Å; D346-R348 WeakPolarHBondContact OD1-CB 3.47Å; D346-R348 VanDerWaalsContact OD1-CG 3.31Å; D346-R348 WeakPolarHBondContact OD1-CG 3.42Å; D346-R348 IonicContact OD1-CZ 3.25Å; D346-R348 PolarHBondContact OD1-N 3.4Å; D346-R348 VanDerWaalsContact OD1-N 3.16Å; D346-R348 IonicContact OD1-NE 3.02Å; D346-R348 PolarHBondContact OD1-NE 3.33Å; D346-R348 IonicContact OD1-NH2 3.94Å; D346-R348 IonicContact OD2-CZ 3.06Å; D346-R348 IonicContact OD2-NE 3.12Å; D346-R348 PolarHBondContact OD2-NE 3.47Å; D346-R348 IonicContact OD2-NH2 3.96Å; D346-R348 PolarHBondContact OD2-NH2 3.16Å; D346-L377 HydrophobicContact CB-CD1 3.91Å
347L91.3Very high88.6Confident0 Ų067.5 Ų67.50%030%0.304CS..  trans-121.321.4179.6-63.9166.7000111L322 L328 L333 F336 L345 C350 L353 K376L322-L347 HydrophobicContact CB-CD2 3.88Å; L322-L347 HydrophobicContact CD1-CD2 4.11Å; L328-L347 HydrophobicContact CD1-CD2 4.21Å; L333-L347 HydrophobicContact CD2-CD1 3.56Å; F336-L347 HydrophobicContact CE2-CD1 4.3Å; F336-L347 HydrophobicContact CE2-CD2 4.4Å; F336-L347 HydrophobicContact CZ-CD2 4.4Å; L345-L347 HydrophobicContact CD1-CD1 4.31Å; L345-L347 HydrophobicContact CD1-CD2 4.13Å; L345-L347 HydrophobicContact CD1-CG 4Å; L345-L347 HydrophobicContact CD2-CD1 3.88Å; L345-L347 HydrophobicContact CD2-CG 4.43Å; L345-L347 HydrophobicContact CG-CD1 3.9Å; L345-L347 HydrophobicContact CG-CG 3.93Å; L347-C350 WeakPolarHBondContact O-CB 3.5Å; L347-C350 PolarHBondContact O-N 3.01Å; L347-C350 PolarHBondContact O-SG 3.41Å; L347-L353 HydrophobicContact CB-CD1 3.86Å; L347-L353 HydrophobicContact CD1-CD1 4.07Å; L347-L353 HydrophobicContact CD2-CD1 3.95Å; L347-L353 HydrophobicContact CG-CD1 4.18Å; L347-K376 CarbonylContact C-O 3.59Å; L347-K376 WeakPolarHBondContact CA-O 3.32Å; L347-K376 HydrophobicContact CB-CB 4.12Å; L347-K376 WeakPolarHBondContact CB-O 3.3Å; L347-K376 PolarHBondContact N-O 2.53Å; L347-K376 WeakPolarHBondContact O-CB 3.28Å
348R90.8Very high88.6Confident81 Ų8162.4 Ų62.431%0.30629%0.286SS..THydrogen-bonded Turntrans-59.8149178.9-73.9177.9-63168.99.3110.9A323 G324 D346 C350 E374 E375 L377A323-R348 CarbonylContact C-O 3.58Å; A323-R348 WeakPolarHBondContact CA-O 3.49Å; A323-R348 HydrophobicContact CB-CB 4.28Å; A323-R348 WeakPolarHBondContact CB-O 3.47Å; G324-R348 PolarHBondContact N-O 3.4Å; D346-R348 WeakPolarHBondContact OD1-CB 3.47Å; D346-R348 VanDerWaalsContact OD1-CG 3.31Å; D346-R348 WeakPolarHBondContact OD1-CG 3.42Å; D346-R348 IonicContact OD1-CZ 3.25Å; D346-R348 PolarHBondContact OD1-N 3.4Å; D346-R348 VanDerWaalsContact OD1-N 3.16Å; D346-R348 IonicContact OD1-NE 3.02Å; D346-R348 PolarHBondContact OD1-NE 3.33Å; D346-R348 IonicContact OD1-NH2 3.94Å; D346-R348 IonicContact OD2-CZ 3.06Å; D346-R348 IonicContact OD2-NE 3.12Å; D346-R348 PolarHBondContact OD2-NE 3.47Å; D346-R348 IonicContact OD2-NH2 3.96Å; D346-R348 PolarHBondContact OD2-NH2 3.16Å; R348-C350 PolarHBondContact O-N 2.89Å; R348-E374 WeakPolarHBondContact CD-OE2 3.1Å; R348-E374 IonicContact CZ-OE2 2.86Å; R348-E374 IonicContact NE-OE2 2.7Å; R348-E374 IonicContact NH1-OE2 2.94Å; R348-E374 PolarHBondContact NH1-OE2 3.11Å; R348-E375 VanDerWaalsContact CG-O 3.23Å; R348-E375 WeakPolarHBondContact CG-O 3.32Å; R348-L377 HydrophobicContact CG-CB 4.44Å
349S89Confident88.3Confident92 Ų9260.4 Ų60.464%0.64329%0.289SS*.THydrogen-bonded Turntrans60.611.2178.6-52.30000115.6R351S349-R351 PolarHBondContact O-N 3.3Å
350C90.7Very high88.1Confident0 Ų066.6 Ų66.60%031%0.311CS..  trans-78.3104.9167-68.30000109.4L322 C325 L347 R348 Q352 L353 K376L322-C350 PolarHBondContact O-SG 3.1Å; C325-C350 PolarHBondContact O-SG 3.42Å; L347-C350 WeakPolarHBondContact O-CB 3.5Å; L347-C350 PolarHBondContact O-N 3.01Å; L347-C350 PolarHBondContact O-SG 3.41Å; R348-C350 PolarHBondContact O-N 2.89Å; C350-Q352 PolarHBondContact O-N 2.57Å; C350-L353 HydrophobicContact CB-CB 4.17Å; C350-L353 HydrophobicContact CB-CD1 3.54Å; C350-L353 HydrophobicContact CB-CG 3.87Å; C350-L353 PolarHBondContact O-N 3.34Å; C350-K376 PolarHBondContact O-NZ 2.89Å
351R87.5Confident87.9Confident231 Ų23164.6 Ų64.687%0.87230%0.297SS*.THydrogen-bonded Turntrans-70.9-29.1-173-64.6-177.2-179.8168.8-0.4114S349 L353S349-R351 PolarHBondContact O-N 3.3Å; R351-L353 VanDerWaalsContact C-N 3.32Å
352Q89.9Confident87.4Confident108 Ų10857.7 Ų57.751%0.50527%0.273SS..THydrogen-bonded Turntrans-86-3.1-179.1-71.1-175.9-1400113.5H326 L328 C350H326-Q352 PolarHBondContact O-OE1 2.87Å; L328-Q352 WeakPolarHBondContact O-CB 3.42Å; C350-Q352 PolarHBondContact O-N 2.57Å
353L89.6Confident86.6Confident4 Ų461.4 Ų61.42%0.02130%0.304CS..SBendtrans-92.6128175.7-68.9178.9000110.9T329 D330 L333 L347 C350 R351 K376T329-L353 VanDerWaalsContact O-CD2 3.27Å; T329-L353 WeakPolarHBondContact O-CD2 3.44Å; D330-L353 WeakPolarHBondContact OD1-CA 3.12Å; D330-L353 WeakPolarHBondContact OD1-CD2 3.42Å; L333-L353 HydrophobicContact CD1-CD2 4.25Å; L333-L353 HydrophobicContact CD2-CD2 4.28Å; L333-L353 HydrophobicContact CG-CD2 4.17Å; L347-L353 HydrophobicContact CB-CD1 3.86Å; L347-L353 HydrophobicContact CD1-CD1 4.07Å; L347-L353 HydrophobicContact CD2-CD1 3.95Å; L347-L353 HydrophobicContact CG-CD1 4.18Å; C350-L353 HydrophobicContact CB-CB 4.17Å; C350-L353 HydrophobicContact CB-CD1 3.54Å; C350-L353 HydrophobicContact CB-CG 3.87Å; C350-L353 PolarHBondContact O-N 3.34Å; R351-L353 VanDerWaalsContact C-N 3.32Å; L353-K376 HydrophobicContact CB-CD 4.49Å; L353-K376 WeakPolarHBondContact O-CE 3.44Å; L353-K376 PolarHBondContact O-NZ 3.07Å
354S87.8Confident85.6Confident33 Ų3358 Ų5823%0.23130%0.3CS..  trans-79135.5173.668.70000110.6D330 E356 A357 C358D330-S354 PolarHBondContact OD1-N 2.57Å; D330-S354 WeakPolarHBondContact OD2-CB 3.29Å; D330-S354 PolarHBondContact OD2-OG 3.23Å; S354-E356 PolarHBondContact O-N 2.9Å; S354-A357 PolarHBondContact O-N 2.98Å; S354-A357 VanDerWaalsContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.27Å; S354-C358 PolarHBondContact O-N 3.4Å
355P83.9Confident83.6Confident73 Ų7354.3 Ų54.347%0.47430%0.297SS..Hα-helixtrans-56.9-34.6175.2-24.533.8000112.3C358 A359P355-C358 PolarHBondContact O-N 3.3Å; P355-A359 WeakPolarHBondContact O-CB 3.38Å; P355-A359 PolarHBondContact O-N 3.16Å
356E84.6Confident81.6Confident135 Ų13558.8 Ų58.863%0.63133%0.327SS*.Hα-helixtrans-64.2-41.9177-62.7173.1-170.100112.5S354 C358 A359 R360S354-E356 PolarHBondContact O-N 2.9Å; E356-C358 VanDerWaalsContact C-N 3.33Å; E356-A359 PolarHBondContact O-N 3.18Å; E356-R360 WeakPolarHBondContact O-CG 2.98Å; E356-R360 PolarHBondContact O-N 3.42Å; E356-R360 IonicContact OE2-NH1 3.22Å
357A84.7Confident79.6Confident7 Ų762.5 Ų62.56%0.05835%0.351CS..Hα-helixtrans-66.4-38.3176.600000111.7D330 L333 S354 R360 L361D330-A357 HydrophobicContact CB-CB 3.98Å; D330-A357 VanDerWaalsContact CG-CB 3.42Å; D330-A357 WeakPolarHBondContact OD2-CB 3.3Å; L333-A357 HydrophobicContact CD1-CB 3.39Å; S354-A357 PolarHBondContact O-N 2.98Å; S354-A357 VanDerWaalsContact O-N 3.16Å; S354-A357 WeakPolarHBondContact OG-CB 3.38Å; S354-A357 PolarHBondContact OG-N 3.27Å; A357-R360 PolarHBondContact O-N 3.34Å; A357-L361 PolarHBondContact O-N 3.05Å
358C83.6Confident78.1Confident2 Ų263.3 Ų63.31%0.01436%0.359CS..Hα-helixtrans-63.5-40.5172-69.70000111.9S354 P355 E356 L361 A362 K376S354-C358 PolarHBondContact O-N 3.4Å; P355-C358 PolarHBondContact O-N 3.3Å; E356-C358 VanDerWaalsContact C-N 3.33Å; C358-L361 PolarHBondContact O-N 3.39Å; C358-A362 WeakPolarHBondContact O-CB 3.21Å; C358-A362 PolarHBondContact O-N 3.19Å; C358-K376 HydrophobicContact CB-CG 4.45Å
359A81.8Confident77Confident53 Ų5364 Ų6444%0.43837%0.374SS..Hα-helixtrans-64.9-39.5174.600000112P355 E356 A362 A363P355-A359 WeakPolarHBondContact O-CB 3.38Å; P355-A359 PolarHBondContact O-N 3.16Å; E356-A359 PolarHBondContact O-N 3.18Å; A359-A362 WeakPolarHBondContact O-CB 3.27Å; A359-A362 PolarHBondContact O-N 3.4Å; A359-A363 WeakPolarHBondContact O-CB 3.29Å; A359-A363 PolarHBondContact O-N 3.36Å
360R82.8Confident76.3Confident141 Ų14161 Ų6153%0.53235%0.349SS..Hα-helixtrans-62.3-41.9172.7-73.6-171.2-61.1-93.14.5111.8E356 A357 A362 A363 A364E356-R360 WeakPolarHBondContact O-CG 2.98Å; E356-R360 PolarHBondContact O-N 3.42Å; E356-R360 IonicContact OE2-NH1 3.22Å; A357-R360 PolarHBondContact O-N 3.34Å; R360-A362 VanDerWaalsContact C-N 3.31Å; R360-A362 PolarHBondContact O-N 2.73Å; R360-A363 PolarHBondContact O-N 2.9Å; R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.23Å
361L82.5Confident75.5Confident11 Ų1168.6 Ų68.66%0.05838%0.378CS..Hα-helixtrans-62.4-40174179.463.5000111.4L333 F336 R337 L345 A357 C358 L378L333-L361 HydrophobicContact CB-CD2 4.05Å; L333-L361 HydrophobicContact CD2-CD2 3.87Å; L333-L361 WeakPolarHBondContact O-CD1 3.27Å; F336-L361 HydrophobicContact CD2-CD2 4.21Å; R337-L361 HydrophobicContact CG-CD1 3.6Å; L345-L361 HydrophobicContact CD2-CD2 4.24Å; A357-L361 PolarHBondContact O-N 3.05Å; C358-L361 PolarHBondContact O-N 3.39Å; L361-L378 HydrophobicContact CB-CD1 4.5Å; L361-L378 HydrophobicContact CD2-CD1 3.59Å; L361-L378 HydrophobicContact CG-CD1 4.09Å
362A79.1Confident74.9Confident9 Ų960.6 Ų60.67%0.07436%0.357CS..Hα-helixtrans-65.9-43.9178.300000112.7C358 A359 R360 F370 L378C358-A362 WeakPolarHBondContact O-CB 3.21Å; C358-A362 PolarHBondContact O-N 3.19Å; A359-A362 WeakPolarHBondContact O-CB 3.27Å; A359-A362 PolarHBondContact O-N 3.4Å; R360-A362 VanDerWaalsContact C-N 3.31Å; R360-A362 PolarHBondContact O-N 2.73Å; A362-F370 HydrophobicContact CB-CB 4.25Å; A362-F370 PolarHBondContact O-N 2.54Å; A362-F370 VanDerWaalsContact O-N 3.15Å; A362-L378 HydrophobicContact CB-CD2 3.72Å
363A73.9Confident73.8Confident81 Ų8159.4 Ų59.467%0.66936%0.358SS*.Hα-helixtrans-74.3-33.6-17900000113A359 R360 G365A359-A363 WeakPolarHBondContact O-CB 3.29Å; A359-A363 PolarHBondContact O-N 3.36Å; R360-A363 PolarHBondContact O-N 2.9Å; A363-G365 PolarHBondContact O-N 3.36Å; A363-G365 VanDerWaalsContact O-N 3.08Å
364A66.9Low73Confident40 Ų4063.9 Ų63.933%0.33138%0.379SS..SBendtrans-82.280.1-179.900000111.2R337 R360R337-A364 PolarHBondContact NE-O 3.38Å; R337-A364 VanDerWaalsContact NH2-C 3.27Å; R337-A364 PolarHBondContact NH2-O 3.46Å; R360-A364 WeakPolarHBondContact O-CB 3.42Å; R360-A364 PolarHBondContact O-N 3.23Å
365G49.7Very low72.4Confident36 Ų3668.3 Ų68.337%0.37140%0.396SS..  trans-99.3118173.600000112.4A363A363-G365 PolarHBondContact O-N 3.36Å; A363-G365 VanDerWaalsContact O-N 3.08Å
366P50.7Low72.2Confident95 Ų9565.8 Ų65.862%0.61738%0.378SS*.SBend-120153.693.3-4.924.8000113.6
367P50.2Low72.2Confident81 Ų8159.8 Ų59.853%0.52635%0.35SS..SBendcis-90.922.710.534.6-30.8000114.5P340 K380P340-P367 HydrophobicContact CB-CG 4.46Å; P367-K380 VanDerWaalsContact C-NZ 3.28Å; P367-K380 PolarHBondContact O-NZ 3.12Å
368G59.8Low72.1Confident17 Ų1759.5 Ų59.518%0.17535%0.348CS..  trans161.5154.9167.900000111.1
369P67.5Low72.2Confident94 Ų9462 Ų6261%0.6136%0.361SS*.PPolyproline II helixtrans-69142.9-178.828.5-33.6000111.1
370F74.6Confident72.1Confident30 Ų3062.1 Ų62.113%0.13235%0.351CS..PPolyproline II helixtrans-85.9137.2166.5-65.5-87.6000108.9L342 A362 L378 L379 K380L342-F370 HydrophobicContact CD2-CZ 4.48Å; A362-F370 HydrophobicContact CB-CB 4.25Å; A362-F370 PolarHBondContact O-N 2.54Å; A362-F370 VanDerWaalsContact O-N 3.15Å; F370-L378 HydrophobicContact CB-CB 3.96Å; F370-L378 HydrophobicContact CB-CD2 4.18Å; F370-L378 HydrophobicContact CD1-CB 3.98Å; F370-L378 HydrophobicContact CG-CB 4.03Å; F370-L379 CarbonylContact C-O 3.59Å; F370-L379 WeakPolarHBondContact CA-O 3.32Å; F370-K380 HydrophobicContact CD1-CB 4.09Å; F370-K380 HydrophobicContact CE1-CB 4.18Å
371R75Confident71.3Confident159 Ų15959.7 Ų59.760%0.635%0.349SS*.EExtended strand (participates in β ladder)trans-79143.4160.9-63-166.5-174.1-161.29.3109.5P373 L379 D381R371-P373 VanDerWaalsContact C-CD 3.5Å; R371-P373 VanDerWaalsContact O-CD 3.25Å; R371-P373 WeakPolarHBondContact O-CD 3.33Å; R371-L379 PolarHBondContact N-O 3.06Å; R371-L379 PolarHBondContact O-N 3.35Å; R371-D381 IonicContact CZ-OD1 2.72Å; R371-D381 IonicContact CZ-OD2 3.13Å; R371-D381 IonicContact NE-OD1 3.91Å; R371-D381 IonicContact NE-OD2 3.87Å; R371-D381 PolarHBondContact NE-OD2 3.28Å; R371-D381 IonicContact NH2-OD2 3.7Å; R371-D381 PolarHBondContact NH2-OD2 3.08Å
372C75.2Confident70.1Confident64 Ų6466.3 Ų66.343%0.43240%0.396SS..EExtended strand (participates in β ladder)trans-114.381.5176.5-163.30000109.1E374 L377 L378C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact SG-O 3.19Å; C372-L377 WeakPolarHBondContact CA-O 3.19Å; C372-L378 HydrophobicContact CB-CD2 4.23Å
373P66.4Low69.6Low82 Ų8269.2 Ų69.253%0.53241%0.412SS..EExtended strand (participates in β ladder)trans-71.3-27.8-178.928.4-37.3000113.6R371 L377 L379R371-P373 VanDerWaalsContact C-CD 3.5Å; R371-P373 VanDerWaalsContact O-CD 3.25Å; R371-P373 WeakPolarHBondContact O-CD 3.33Å; P373-L377 WeakPolarHBondContact CD-O 3.35Å; P373-L377 HydrophobicContact CG-CD2 4.07Å; P373-L377 HydrophobicContact CG-CG 4.3Å; P373-L379 HydrophobicContact CG-CD1 3.72Å; P373-L379 HydrophobicContact CG-CG 4.05Å
374E73.3Confident69.4Low98 Ų9868.5 Ų68.546%0.45840%0.398SS..EExtended strand (participates in β ladder)trans-134.4159.8176.6-65.4178-167.200108.7R348 C372 K376 L377R348-E374 WeakPolarHBondContact CD-OE2 3.1Å; R348-E374 IonicContact CZ-OE2 2.86Å; R348-E374 IonicContact NE-OE2 2.7Å; R348-E374 IonicContact NH1-OE2 2.94Å; R348-E374 PolarHBondContact NH1-OE2 3.11Å; C372-E374 VanDerWaalsContact C-N 3.34Å; C372-E374 PolarHBondContact SG-O 3.19Å; E374-K376 PolarHBondContact O-N 3.11Å; E374-K376 VanDerWaalsContact O-N 3.11Å; E374-L377 HydrophobicContact CB-CB 4.04Å; E374-L377 HydrophobicContact CB-CD2 4.3Å; E374-L377 HydrophobicContact CG-CD2 4.43Å; E374-L377 PolarHBondContact O-N 3Å; E374-L377 VanDerWaalsContact O-N 3.07Å
375E74.9Confident69.5Low127 Ų12770.1 Ų70.159%0.59340%0.402SS*.THydrogen-bonded Turntrans-53.4120.6179.4-157.7-157.8143.400110.8R348 L377R348-E375 VanDerWaalsContact CG-O 3.23Å; R348-E375 WeakPolarHBondContact CG-O 3.32Å; E375-L377 PolarHBondContact O-N 3.3Å; E375-L377 VanDerWaalsContact O-N 3.16Å
376K79.1Confident70.7Confident19 Ų1972.1 Ų72.18%0.08340%0.404CS..THydrogen-bonded Turntrans6217.6178.3-54.3168.5179.51740115.1L347 C350 L353 C358 E374L347-K376 CarbonylContact C-O 3.59Å; L347-K376 WeakPolarHBondContact CA-O 3.32Å; L347-K376 HydrophobicContact CB-CB 4.12Å; L347-K376 WeakPolarHBondContact CB-O 3.3Å; L347-K376 PolarHBondContact N-O 2.53Å; L347-K376 WeakPolarHBondContact O-CB 3.28Å; C350-K376 PolarHBondContact O-NZ 2.89Å; L353-K376 HydrophobicContact CB-CD 4.49Å; L353-K376 WeakPolarHBondContact O-CE 3.44Å; L353-K376 PolarHBondContact O-NZ 3.07Å; C358-K376 HydrophobicContact CB-CG 4.45Å; E374-K376 PolarHBondContact O-N 3.11Å; E374-K376 VanDerWaalsContact O-N 3.11Å
377L84.9Confident71.9Confident10 Ų1070.7 Ų70.75%0.05239%0.391CS..EExtended strand (participates in β ladder)trans-101.6116.8166.5177.761.2000109.1D346 R348 C372 P373 E374 E375 L379D346-L377 HydrophobicContact CB-CD1 3.91Å; R348-L377 HydrophobicContact CG-CB 4.44Å; C372-L377 WeakPolarHBondContact CA-O 3.19Å; P373-L377 WeakPolarHBondContact CD-O 3.35Å; P373-L377 HydrophobicContact CG-CD2 4.07Å; P373-L377 HydrophobicContact CG-CG 4.3Å; E374-L377 HydrophobicContact CB-CB 4.04Å; E374-L377 HydrophobicContact CB-CD2 4.3Å; E374-L377 HydrophobicContact CG-CD2 4.43Å; E374-L377 PolarHBondContact O-N 3Å; E374-L377 VanDerWaalsContact O-N 3.07Å; E375-L377 PolarHBondContact O-N 3.3Å; E375-L377 VanDerWaalsContact O-N 3.16Å; L377-L379 HydrophobicContact CD1-CD2 4.16Å; L377-L379 HydrophobicContact CG-CD2 4.33Å; L377-L379 HydrophobicContact CG-CG 4.31Å
378L83Confident73.4Confident0 Ų070 Ų700%038%0.382CS..EExtended strand (participates in β ladder)trans-109.4119.9-177.5-61.4177.9000110.2R344 L345 L361 A362 F370 C372R344-L378 WeakPolarHBondContact CA-O 3.3Å; L345-L378 HydrophobicContact CB-CB 4.22Å; L345-L378 HydrophobicContact CD2-CD1 4.13Å; L345-L378 PolarHBondContact N-O 3.44Å; L345-L378 PolarHBondContact O-N 3.29Å; L361-L378 HydrophobicContact CB-CD1 4.5Å; L361-L378 HydrophobicContact CD2-CD1 3.59Å; L361-L378 HydrophobicContact CG-CD1 4.09Å; A362-L378 HydrophobicContact CB-CD2 3.72Å; F370-L378 HydrophobicContact CB-CB 3.96Å; F370-L378 HydrophobicContact CB-CD2 4.18Å; F370-L378 HydrophobicContact CD1-CB 3.98Å; F370-L378 HydrophobicContact CG-CB 4.03Å; C372-L378 HydrophobicContact CB-CD2 4.23Å
379L84.1Confident74.3Confident56 Ų5673.8 Ų73.829%0.29340%0.396SS..EExtended strand (participates in β ladder)trans-121.6137.7179.9-59.8-173.7000111R343 R344 F370 R371 P373 L377R343-L379 CarbonylContact O-C 3.39Å; R343-L379 WeakPolarHBondContact O-CA 3.35Å; R344-L379 HydrophobicContact CB-CD2 3.95Å; R344-L379 HydrophobicContact CG-CD2 3.59Å; F370-L379 CarbonylContact C-O 3.59Å; F370-L379 WeakPolarHBondContact CA-O 3.32Å; R371-L379 PolarHBondContact N-O 3.06Å; R371-L379 PolarHBondContact O-N 3.35Å; P373-L379 HydrophobicContact CG-CD1 3.72Å; P373-L379 HydrophobicContact CG-CG 4.05Å; L377-L379 HydrophobicContact CD1-CD2 4.16Å; L377-L379 HydrophobicContact CG-CD2 4.33Å; L377-L379 HydrophobicContact CG-CG 4.31Å
380K80.9Confident74.9Confident55 Ų5572.2 Ų72.224%0.23938%0.38CS..  trans-105.7132.4170.2-164.8179.7179.2-179.10109R343 P367 F370R343-K380 PolarHBondContact O-N 3.21Å; P367-K380 VanDerWaalsContact C-NZ 3.28Å; P367-K380 PolarHBondContact O-NZ 3.12Å; F370-K380 HydrophobicContact CD1-CB 4.09Å; F370-K380 HydrophobicContact CE1-CB 4.18Å
381D65.9Low74.9Confident89 Ų8975.8 Ų75.848%0.47640%0.401SS..  trans-66.4155.4173.6-60.3-38.5000111R371R371-D381 IonicContact CZ-OD1 2.72Å; R371-D381 IonicContact CZ-OD2 3.13Å; R371-D381 IonicContact NE-OD1 3.91Å; R371-D381 IonicContact NE-OD2 3.87Å; R371-D381 PolarHBondContact NE-OD2 3.28Å; R371-D381 IonicContact NH2-OD2 3.7Å; R371-D381 PolarHBondContact NH2-OD2 3.08Å
382S56.1Low74.9Confident150 Ų15068.2 Ų68.2100%1.04938%0.383SS*.  trans-66.40-162.2-60.20000115.4R343R343-S382 PolarHBondContact NH2-OXT 3.36Å

Retrieved 382 of 382 residues in 96.3 ms (Link to these results)